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 -127:sc=-0.00292 USER MOD Single : A 98 SER OG : rot -104:sc= -0.43 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.18) 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 -145:sc= -6.61! (180deg=-9.57!) USER MOD Single : A 122 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.15) USER MOD Single : A 124 THR OG1 : rot -22:sc= 0.28 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -137:sc= -7.72! (180deg=-12.8!) USER MOD Single : A 138 LYS NZ :NH3+ -155:sc= -0.21 (180deg=-1.53!) USER MOD Single : A 142 LYS NZ :NH3+ 148:sc= 0.627 (180deg=0.147) USER MOD Single : A 143 ASN : amide:sc= -0.0634 X(o=-0.063,f=-0.028) USER MOD Single : A 144 ASN : amide:sc= -1.51 X(o=-1.5,f=-1.6!) USER MOD Single : A 150 TYR OH : rot 110:sc= -1.17 USER MOD Single : A 157 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 158 LYS NZ :NH3+ 170:sc= -0.165 (180deg=-0.508) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 92 7.101 5.016 0.058 1.00 1.27 N ATOM 28 CA LYS A 92 6.402 3.700 0.026 1.00 1.47 C ATOM 29 C LYS A 92 4.902 3.896 0.260 1.00 1.40 C ATOM 30 O LYS A 92 4.103 3.801 -0.651 1.00 1.56 O ATOM 31 CB LYS A 92 7.023 2.896 1.168 1.00 1.61 C ATOM 32 CG LYS A 92 8.249 2.138 0.653 1.00 1.94 C ATOM 33 CD LYS A 92 9.429 2.374 1.599 1.00 2.31 C ATOM 34 CE LYS A 92 9.208 1.595 2.897 1.00 2.59 C ATOM 35 NZ LYS A 92 10.568 1.156 3.319 1.00 3.20 N ATOM 0 HA LYS A 92 6.511 3.195 -0.934 1.00 1.47 H new ATOM 0 HB2 LYS A 92 7.310 3.562 1.982 1.00 1.61 H new ATOM 0 HB3 LYS A 92 6.293 2.195 1.572 1.00 1.61 H new ATOM 0 HG2 LYS A 92 8.030 1.072 0.587 1.00 1.94 H new ATOM 0 HG3 LYS A 92 8.502 2.474 -0.352 1.00 1.94 H new ATOM 0 HD2 LYS A 92 10.358 2.056 1.125 1.00 2.31 H new ATOM 0 HD3 LYS A 92 9.529 3.438 1.814 1.00 2.31 H new ATOM 0 HE2 LYS A 92 8.741 2.220 3.658 1.00 2.59 H new ATOM 0 HE3 LYS A 92 8.549 0.741 2.738 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 10.499 0.614 4.204 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 10.985 0.557 2.578 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 11.171 1.990 3.470 1.00 3.20 H new ATOM 49 N SER A 93 4.516 4.171 1.475 1.00 1.38 N ATOM 50 CA SER A 93 3.070 4.376 1.771 1.00 1.40 C ATOM 51 C SER A 93 2.901 5.511 2.784 1.00 1.20 C ATOM 52 O SER A 93 3.859 6.132 3.198 1.00 1.08 O ATOM 53 CB SER A 93 2.595 3.051 2.364 1.00 1.60 C ATOM 54 OG SER A 93 2.706 3.104 3.780 1.00 2.20 O ATOM 0 H SER A 93 5.140 4.263 2.277 1.00 1.38 H new ATOM 0 HA SER A 93 2.498 4.650 0.884 1.00 1.40 H new ATOM 0 HB2 SER A 93 1.561 2.860 2.076 1.00 1.60 H new ATOM 0 HB3 SER A 93 3.193 2.228 1.971 1.00 1.60 H new ATOM 0 HG SER A 93 3.219 2.331 4.097 1.00 2.20 H new ATOM 60 N GLU A 94 1.692 5.783 3.191 1.00 1.26 N ATOM 61 CA GLU A 94 1.469 6.877 4.180 1.00 1.17 C ATOM 62 C GLU A 94 2.365 6.674 5.405 1.00 1.12 C ATOM 63 O GLU A 94 2.605 7.589 6.169 1.00 1.09 O ATOM 64 CB GLU A 94 -0.005 6.764 4.569 1.00 1.33 C ATOM 65 CG GLU A 94 -0.877 7.160 3.377 1.00 1.28 C ATOM 66 CD GLU A 94 -2.237 6.470 3.488 1.00 1.44 C ATOM 67 OE1 GLU A 94 -2.589 6.073 4.587 1.00 1.94 O ATOM 68 OE2 GLU A 94 -2.903 6.349 2.473 1.00 2.09 O ATOM 0 H GLU A 94 0.850 5.297 2.883 1.00 1.26 H new ATOM 0 HA GLU A 94 1.709 7.859 3.771 1.00 1.17 H new ATOM 0 HB2 GLU A 94 -0.234 5.744 4.878 1.00 1.33 H new ATOM 0 HB3 GLU A 94 -0.218 7.410 5.420 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -1.007 8.242 3.352 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -0.388 6.876 2.445 1.00 1.28 H new ATOM 75 N GLU A 95 2.865 5.484 5.598 1.00 1.19 N ATOM 76 CA GLU A 95 3.747 5.227 6.772 1.00 1.23 C ATOM 77 C GLU A 95 5.121 5.861 6.542 1.00 1.03 C ATOM 78 O GLU A 95 5.679 6.493 7.416 1.00 1.01 O ATOM 79 CB GLU A 95 3.862 3.705 6.853 1.00 1.45 C ATOM 80 CG GLU A 95 3.280 3.219 8.182 1.00 1.90 C ATOM 81 CD GLU A 95 2.420 1.977 7.940 1.00 2.12 C ATOM 82 OE1 GLU A 95 2.705 1.257 6.997 1.00 2.49 O ATOM 83 OE2 GLU A 95 1.490 1.767 8.701 1.00 2.66 O ATOM 0 H GLU A 95 2.701 4.679 4.994 1.00 1.19 H new ATOM 0 HA GLU A 95 3.350 5.653 7.693 1.00 1.23 H new ATOM 0 HB2 GLU A 95 3.330 3.245 6.021 1.00 1.45 H new ATOM 0 HB3 GLU A 95 4.906 3.404 6.769 1.00 1.45 H new ATOM 0 HG2 GLU A 95 4.084 2.987 8.880 1.00 1.90 H new ATOM 0 HG3 GLU A 95 2.680 4.007 8.638 1.00 1.90 H new ATOM 90 N GLU A 96 5.666 5.700 5.367 1.00 1.02 N ATOM 91 CA GLU A 96 7.001 6.297 5.076 1.00 0.94 C ATOM 92 C GLU A 96 6.830 7.720 4.538 1.00 0.79 C ATOM 93 O GLU A 96 7.726 8.537 4.618 1.00 0.82 O ATOM 94 CB GLU A 96 7.616 5.391 4.009 1.00 1.15 C ATOM 95 CG GLU A 96 9.140 5.530 4.036 1.00 1.62 C ATOM 96 CD GLU A 96 9.710 4.678 5.172 1.00 1.99 C ATOM 97 OE1 GLU A 96 9.022 3.771 5.609 1.00 2.78 O ATOM 98 OE2 GLU A 96 10.826 4.948 5.585 1.00 2.18 O ATOM 0 H GLU A 96 5.245 5.181 4.596 1.00 1.02 H new ATOM 0 HA GLU A 96 7.630 6.363 5.964 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.332 4.354 4.190 1.00 1.15 H new ATOM 0 HB3 GLU A 96 7.233 5.660 3.024 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.562 5.213 3.082 1.00 1.62 H new ATOM 0 HG3 GLU A 96 9.418 6.575 4.176 1.00 1.62 H new ATOM 105 N LEU A 97 5.684 8.021 3.991 1.00 0.77 N ATOM 106 CA LEU A 97 5.450 9.390 3.447 1.00 0.71 C ATOM 107 C LEU A 97 4.983 10.331 4.561 1.00 0.67 C ATOM 108 O LEU A 97 5.156 11.532 4.486 1.00 0.75 O ATOM 109 CB LEU A 97 4.349 9.216 2.400 1.00 0.80 C ATOM 110 CG LEU A 97 4.815 8.239 1.320 1.00 0.77 C ATOM 111 CD1 LEU A 97 3.828 8.261 0.151 1.00 1.40 C ATOM 112 CD2 LEU A 97 6.203 8.652 0.824 1.00 1.22 C ATOM 0 H LEU A 97 4.898 7.377 3.897 1.00 0.77 H new ATOM 0 HA LEU A 97 6.355 9.825 3.022 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.440 8.844 2.873 1.00 0.80 H new ATOM 0 HB3 LEU A 97 4.104 10.179 1.952 1.00 0.80 H new ATOM 0 HG LEU A 97 4.862 7.233 1.736 1.00 0.77 H new ATOM 0 HD11 LEU A 97 4.160 7.565 -0.619 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.839 7.967 0.504 1.00 1.40 H new ATOM 0 HD13 LEU A 97 3.780 9.267 -0.266 1.00 1.40 H new ATOM 0 HD21 LEU A 97 6.536 7.956 0.054 1.00 1.22 H new ATOM 0 HD22 LEU A 97 6.156 9.658 0.408 1.00 1.22 H new ATOM 0 HD23 LEU A 97 6.906 8.636 1.656 1.00 1.22 H new ATOM 124 N SER A 98 4.388 9.796 5.593 1.00 0.69 N ATOM 125 CA SER A 98 3.906 10.659 6.710 1.00 0.76 C ATOM 126 C SER A 98 5.026 11.590 7.186 1.00 0.72 C ATOM 127 O SER A 98 4.776 12.653 7.720 1.00 0.77 O ATOM 128 CB SER A 98 3.511 9.686 7.819 1.00 0.92 C ATOM 129 OG SER A 98 4.445 8.615 7.859 1.00 1.57 O ATOM 0 H SER A 98 4.215 8.798 5.711 1.00 0.69 H new ATOM 0 HA SER A 98 3.074 11.295 6.409 1.00 0.76 H new ATOM 0 HB2 SER A 98 3.489 10.201 8.780 1.00 0.92 H new ATOM 0 HB3 SER A 98 2.507 9.302 7.641 1.00 0.92 H new ATOM 0 HG SER A 98 4.045 7.817 7.454 1.00 1.57 H new ATOM 135 N ASP A 99 6.256 11.199 7.001 1.00 0.80 N ATOM 136 CA ASP A 99 7.389 12.062 7.445 1.00 0.86 C ATOM 137 C ASP A 99 7.901 12.906 6.275 1.00 0.81 C ATOM 138 O ASP A 99 8.663 13.836 6.454 1.00 0.91 O ATOM 139 CB ASP A 99 8.469 11.087 7.913 1.00 1.02 C ATOM 140 CG ASP A 99 7.930 10.244 9.070 1.00 1.23 C ATOM 141 OD1 ASP A 99 7.782 10.785 10.153 1.00 1.83 O ATOM 142 OD2 ASP A 99 7.675 9.070 8.854 1.00 1.79 O ATOM 0 H ASP A 99 6.527 10.319 6.562 1.00 0.80 H new ATOM 0 HA ASP A 99 7.095 12.755 8.233 1.00 0.86 H new ATOM 0 HB2 ASP A 99 8.772 10.441 7.089 1.00 1.02 H new ATOM 0 HB3 ASP A 99 9.356 11.635 8.231 1.00 1.02 H new ATOM 147 N LEU A 100 7.492 12.587 5.079 1.00 0.75 N ATOM 148 CA LEU A 100 7.959 13.368 3.897 1.00 0.76 C ATOM 149 C LEU A 100 7.039 14.567 3.651 1.00 0.68 C ATOM 150 O LEU A 100 7.475 15.618 3.226 1.00 0.79 O ATOM 151 CB LEU A 100 7.883 12.390 2.724 1.00 0.86 C ATOM 152 CG LEU A 100 9.013 11.365 2.836 1.00 0.79 C ATOM 153 CD1 LEU A 100 8.791 10.246 1.816 1.00 1.41 C ATOM 154 CD2 LEU A 100 10.351 12.053 2.555 1.00 1.41 C ATOM 0 H LEU A 100 6.854 11.819 4.868 1.00 0.75 H new ATOM 0 HA LEU A 100 8.964 13.765 4.038 1.00 0.76 H new ATOM 0 HB2 LEU A 100 6.918 11.883 2.722 1.00 0.86 H new ATOM 0 HB3 LEU A 100 7.961 12.931 1.781 1.00 0.86 H new ATOM 0 HG LEU A 100 9.023 10.942 3.841 1.00 0.79 H new ATOM 0 HD11 LEU A 100 9.596 9.516 1.896 1.00 1.41 H new ATOM 0 HD12 LEU A 100 7.837 9.757 2.014 1.00 1.41 H new ATOM 0 HD13 LEU A 100 8.781 10.667 0.811 1.00 1.41 H new ATOM 0 HD21 LEU A 100 11.158 11.325 2.634 1.00 1.41 H new ATOM 0 HD22 LEU A 100 10.340 12.474 1.550 1.00 1.41 H new ATOM 0 HD23 LEU A 100 10.509 12.851 3.281 1.00 1.41 H new ATOM 166 N PHE A 101 5.770 14.416 3.910 1.00 0.60 N ATOM 167 CA PHE A 101 4.822 15.545 3.683 1.00 0.59 C ATOM 168 C PHE A 101 5.210 16.754 4.539 1.00 0.60 C ATOM 169 O PHE A 101 5.114 17.887 4.107 1.00 0.72 O ATOM 170 CB PHE A 101 3.456 15.006 4.106 1.00 0.61 C ATOM 171 CG PHE A 101 2.381 15.983 3.695 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.005 17.016 4.562 1.00 0.86 C ATOM 173 CD2 PHE A 101 1.761 15.857 2.446 1.00 0.68 C ATOM 174 CE1 PHE A 101 1.009 17.923 4.180 1.00 0.90 C ATOM 175 CE2 PHE A 101 0.766 16.764 2.064 1.00 0.73 C ATOM 176 CZ PHE A 101 0.390 17.796 2.931 1.00 0.69 C ATOM 0 H PHE A 101 5.347 13.560 4.269 1.00 0.60 H new ATOM 0 HA PHE A 101 4.827 15.881 2.646 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.277 14.036 3.643 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.431 14.854 5.185 1.00 0.61 H new ATOM 0 HD1 PHE A 101 2.483 17.113 5.525 1.00 0.86 H new ATOM 0 HD2 PHE A 101 2.051 15.060 1.777 1.00 0.68 H new ATOM 0 HE1 PHE A 101 0.719 18.720 4.849 1.00 0.90 H new ATOM 0 HE2 PHE A 101 0.288 16.667 1.100 1.00 0.73 H new ATOM 0 HZ PHE A 101 -0.379 18.495 2.636 1.00 0.69 H new ATOM 186 N ARG A 102 5.641 16.528 5.749 1.00 0.67 N ATOM 187 CA ARG A 102 6.026 17.671 6.627 1.00 0.76 C ATOM 188 C ARG A 102 7.431 18.169 6.271 1.00 0.68 C ATOM 189 O ARG A 102 7.726 19.344 6.374 1.00 0.78 O ATOM 190 CB ARG A 102 5.996 17.107 8.049 1.00 0.99 C ATOM 191 CG ARG A 102 7.228 16.230 8.283 1.00 1.30 C ATOM 192 CD ARG A 102 7.014 15.369 9.530 1.00 1.45 C ATOM 193 NE ARG A 102 7.550 16.183 10.656 1.00 2.12 N ATOM 194 CZ ARG A 102 7.632 15.671 11.855 1.00 2.71 C ATOM 195 NH1 ARG A 102 7.243 14.444 12.075 1.00 3.07 N ATOM 196 NH2 ARG A 102 8.104 16.387 12.837 1.00 3.37 N ATOM 0 H ARG A 102 5.744 15.604 6.168 1.00 0.67 H new ATOM 0 HA ARG A 102 5.354 18.522 6.513 1.00 0.76 H new ATOM 0 HB2 ARG A 102 5.975 17.921 8.773 1.00 0.99 H new ATOM 0 HB3 ARG A 102 5.088 16.523 8.200 1.00 0.99 H new ATOM 0 HG2 ARG A 102 7.405 15.594 7.415 1.00 1.30 H new ATOM 0 HG3 ARG A 102 8.113 16.854 8.407 1.00 1.30 H new ATOM 0 HD2 ARG A 102 5.958 15.141 9.676 1.00 1.45 H new ATOM 0 HD3 ARG A 102 7.538 14.417 9.447 1.00 1.45 H new ATOM 0 HE ARG A 102 7.854 17.143 10.491 1.00 2.12 H new ATOM 0 HH11 ARG A 102 6.873 13.881 11.309 1.00 3.07 H new ATOM 0 HH12 ARG A 102 7.309 14.048 13.013 1.00 3.07 H new ATOM 0 HH21 ARG A 102 8.409 17.346 12.669 1.00 3.37 H new ATOM 0 HH22 ARG A 102 8.169 15.988 13.774 1.00 3.37 H new ATOM 210 N MET A 103 8.299 17.289 5.855 1.00 0.71 N ATOM 211 CA MET A 103 9.682 17.720 5.495 1.00 0.75 C ATOM 212 C MET A 103 9.702 18.307 4.081 1.00 0.68 C ATOM 213 O MET A 103 10.213 19.385 3.854 1.00 0.83 O ATOM 214 CB MET A 103 10.526 16.446 5.561 1.00 0.93 C ATOM 215 CG MET A 103 11.812 16.725 6.343 1.00 1.27 C ATOM 216 SD MET A 103 13.219 16.741 5.204 1.00 1.82 S ATOM 217 CE MET A 103 14.509 17.043 6.436 1.00 2.43 C ATOM 0 H MET A 103 8.113 16.292 5.748 1.00 0.71 H new ATOM 0 HA MET A 103 10.061 18.493 6.164 1.00 0.75 H new ATOM 0 HB2 MET A 103 9.961 15.648 6.042 1.00 0.93 H new ATOM 0 HB3 MET A 103 10.767 16.104 4.554 1.00 0.93 H new ATOM 0 HG2 MET A 103 11.737 17.683 6.858 1.00 1.27 H new ATOM 0 HG3 MET A 103 11.958 15.962 7.108 1.00 1.27 H new ATOM 0 HE1 MET A 103 15.480 17.091 5.942 1.00 2.43 H new ATOM 0 HE2 MET A 103 14.313 17.987 6.944 1.00 2.43 H new ATOM 0 HE3 MET A 103 14.512 16.233 7.165 1.00 2.43 H new ATOM 227 N PHE A 104 9.150 17.605 3.128 1.00 0.68 N ATOM 228 CA PHE A 104 9.139 18.125 1.730 1.00 0.79 C ATOM 229 C PHE A 104 8.578 19.549 1.698 1.00 0.71 C ATOM 230 O PHE A 104 9.162 20.443 1.119 1.00 0.88 O ATOM 231 CB PHE A 104 8.226 17.170 0.956 1.00 0.94 C ATOM 232 CG PHE A 104 8.984 15.913 0.583 1.00 1.31 C ATOM 233 CD1 PHE A 104 10.238 15.646 1.152 1.00 2.03 C ATOM 234 CD2 PHE A 104 8.429 15.013 -0.335 1.00 1.26 C ATOM 235 CE1 PHE A 104 10.932 14.483 0.802 1.00 2.65 C ATOM 236 CE2 PHE A 104 9.125 13.849 -0.684 1.00 1.86 C ATOM 237 CZ PHE A 104 10.376 13.584 -0.115 1.00 2.56 C ATOM 0 H PHE A 104 8.707 16.695 3.257 1.00 0.68 H new ATOM 0 HA PHE A 104 10.140 18.169 1.300 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.357 16.914 1.562 1.00 0.94 H new ATOM 0 HB3 PHE A 104 7.853 17.660 0.056 1.00 0.94 H new ATOM 0 HD1 PHE A 104 10.668 16.339 1.861 1.00 2.03 H new ATOM 0 HD2 PHE A 104 7.464 15.217 -0.774 1.00 1.26 H new ATOM 0 HE1 PHE A 104 11.898 14.279 1.240 1.00 2.65 H new ATOM 0 HE2 PHE A 104 8.696 13.156 -1.392 1.00 1.86 H new ATOM 0 HZ PHE A 104 10.912 12.686 -0.384 1.00 2.56 H new ATOM 247 N ASP A 105 7.449 19.768 2.315 1.00 0.61 N ATOM 248 CA ASP A 105 6.855 21.136 2.317 1.00 0.60 C ATOM 249 C ASP A 105 7.905 22.167 2.738 1.00 0.56 C ATOM 250 O ASP A 105 8.136 22.389 3.910 1.00 0.63 O ATOM 251 CB ASP A 105 5.721 21.074 3.341 1.00 0.68 C ATOM 252 CG ASP A 105 4.684 22.150 3.019 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.261 22.214 1.877 1.00 1.45 O ATOM 254 OD2 ASP A 105 4.331 22.893 3.920 1.00 0.84 O ATOM 0 H ASP A 105 6.913 19.060 2.817 1.00 0.61 H new ATOM 0 HA ASP A 105 6.497 21.433 1.331 1.00 0.60 H new ATOM 0 HB2 ASP A 105 5.255 20.089 3.325 1.00 0.68 H new ATOM 0 HB3 ASP A 105 6.116 21.223 4.346 1.00 0.68 H new ATOM 259 N LYS A 106 8.545 22.796 1.791 1.00 0.59 N ATOM 260 CA LYS A 106 9.583 23.809 2.138 1.00 0.66 C ATOM 261 C LYS A 106 8.927 25.070 2.710 1.00 0.55 C ATOM 262 O LYS A 106 9.552 25.840 3.411 1.00 0.63 O ATOM 263 CB LYS A 106 10.289 24.123 0.818 1.00 0.87 C ATOM 264 CG LYS A 106 11.655 24.749 1.107 1.00 1.21 C ATOM 265 CD LYS A 106 12.620 23.666 1.596 1.00 1.61 C ATOM 266 CE LYS A 106 13.555 23.260 0.454 1.00 1.77 C ATOM 267 NZ LYS A 106 14.101 21.935 0.857 1.00 2.14 N ATOM 0 H LYS A 106 8.395 22.653 0.792 1.00 0.59 H new ATOM 0 HA LYS A 106 10.277 23.443 2.895 1.00 0.66 H new ATOM 0 HB2 LYS A 106 10.411 23.212 0.233 1.00 0.87 H new ATOM 0 HB3 LYS A 106 9.683 24.806 0.222 1.00 0.87 H new ATOM 0 HG2 LYS A 106 12.048 25.222 0.207 1.00 1.21 H new ATOM 0 HG3 LYS A 106 11.557 25.531 1.860 1.00 1.21 H new ATOM 0 HD2 LYS A 106 13.201 24.036 2.441 1.00 1.61 H new ATOM 0 HD3 LYS A 106 12.062 22.799 1.948 1.00 1.61 H new ATOM 0 HE2 LYS A 106 13.018 23.194 -0.492 1.00 1.77 H new ATOM 0 HE3 LYS A 106 14.352 23.991 0.318 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 14.752 21.590 0.123 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 14.613 22.030 1.757 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 13.320 21.258 0.973 1.00 2.14 H new ATOM 281 N ASN A 107 7.673 25.286 2.420 1.00 0.48 N ATOM 282 CA ASN A 107 6.987 26.498 2.954 1.00 0.50 C ATOM 283 C ASN A 107 6.303 26.175 4.286 1.00 0.58 C ATOM 284 O ASN A 107 6.055 27.046 5.095 1.00 0.70 O ATOM 285 CB ASN A 107 5.951 26.872 1.893 1.00 0.54 C ATOM 286 CG ASN A 107 5.196 28.126 2.338 1.00 0.70 C ATOM 287 OD1 ASN A 107 5.800 29.107 2.724 1.00 1.00 O ATOM 288 ND2 ASN A 107 3.892 28.136 2.300 1.00 0.78 N ATOM 0 H ASN A 107 7.095 24.679 1.839 1.00 0.48 H new ATOM 0 HA ASN A 107 7.683 27.315 3.145 1.00 0.50 H new ATOM 0 HB2 ASN A 107 6.442 27.050 0.937 1.00 0.54 H new ATOM 0 HB3 ASN A 107 5.253 26.048 1.744 1.00 0.54 H new ATOM 0 HD21 ASN A 107 3.380 28.967 2.594 1.00 0.78 H new ATOM 0 HD22 ASN A 107 3.385 27.312 1.976 1.00 0.78 H new ATOM 295 N ALA A 108 6.001 24.926 4.521 1.00 0.65 N ATOM 296 CA ALA A 108 5.339 24.546 5.803 1.00 0.84 C ATOM 297 C ALA A 108 4.016 25.299 5.967 1.00 0.78 C ATOM 298 O ALA A 108 3.940 26.296 6.659 1.00 0.96 O ATOM 299 CB ALA A 108 6.327 24.957 6.895 1.00 1.03 C ATOM 0 H ALA A 108 6.184 24.153 3.881 1.00 0.65 H new ATOM 0 HA ALA A 108 5.103 23.483 5.843 1.00 0.84 H new ATOM 0 HB1 ALA A 108 5.913 24.710 7.872 1.00 1.03 H new ATOM 0 HB2 ALA A 108 7.267 24.424 6.754 1.00 1.03 H new ATOM 0 HB3 ALA A 108 6.507 26.031 6.838 1.00 1.03 H new ATOM 305 N ASP A 109 2.971 24.831 5.341 1.00 0.73 N ATOM 306 CA ASP A 109 1.655 25.522 5.469 1.00 0.74 C ATOM 307 C ASP A 109 0.514 24.499 5.507 1.00 0.78 C ATOM 308 O ASP A 109 -0.648 24.850 5.453 1.00 0.96 O ATOM 309 CB ASP A 109 1.548 26.408 4.225 1.00 0.72 C ATOM 310 CG ASP A 109 1.203 25.550 3.005 1.00 1.15 C ATOM 311 OD1 ASP A 109 1.349 24.342 3.092 1.00 1.66 O ATOM 312 OD2 ASP A 109 0.798 26.117 2.003 1.00 1.95 O ATOM 0 H ASP A 109 2.971 24.002 4.747 1.00 0.73 H new ATOM 0 HA ASP A 109 1.584 26.103 6.389 1.00 0.74 H new ATOM 0 HB2 ASP A 109 0.782 27.169 4.374 1.00 0.72 H new ATOM 0 HB3 ASP A 109 2.489 26.932 4.058 1.00 0.72 H new ATOM 317 N GLY A 110 0.835 23.237 5.597 1.00 0.76 N ATOM 318 CA GLY A 110 -0.233 22.198 5.635 1.00 0.85 C ATOM 319 C GLY A 110 -0.357 21.539 4.260 1.00 0.70 C ATOM 320 O GLY A 110 -0.734 20.390 4.143 1.00 0.73 O ATOM 0 H GLY A 110 1.790 22.881 5.646 1.00 0.76 H new ATOM 0 HA2 GLY A 110 0.003 21.447 6.389 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.183 22.649 5.920 1.00 0.85 H new ATOM 324 N TYR A 111 -0.045 22.259 3.216 1.00 0.68 N ATOM 325 CA TYR A 111 -0.148 21.672 1.849 1.00 0.60 C ATOM 326 C TYR A 111 1.085 22.043 1.019 1.00 0.58 C ATOM 327 O TYR A 111 1.971 22.734 1.482 1.00 0.83 O ATOM 328 CB TYR A 111 -1.410 22.291 1.247 1.00 0.68 C ATOM 329 CG TYR A 111 -2.547 22.171 2.233 1.00 0.68 C ATOM 330 CD1 TYR A 111 -2.657 23.084 3.289 1.00 0.71 C ATOM 331 CD2 TYR A 111 -3.491 21.147 2.092 1.00 0.78 C ATOM 332 CE1 TYR A 111 -3.712 22.972 4.204 1.00 0.78 C ATOM 333 CE2 TYR A 111 -4.545 21.035 3.007 1.00 0.83 C ATOM 334 CZ TYR A 111 -4.655 21.948 4.063 1.00 0.80 C ATOM 335 OH TYR A 111 -5.695 21.837 4.964 1.00 0.90 O ATOM 0 H TYR A 111 0.276 23.227 3.250 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.199 20.583 1.869 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.234 23.339 1.004 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.667 21.787 0.316 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -1.929 23.874 3.398 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -3.406 20.443 1.277 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -3.797 23.676 5.018 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -5.273 20.245 2.898 1.00 0.83 H new ATOM 0 HH TYR A 111 -6.259 21.073 4.720 1.00 0.90 H new ATOM 345 N ILE A 112 1.150 21.586 -0.202 1.00 0.50 N ATOM 346 CA ILE A 112 2.328 21.910 -1.057 1.00 0.50 C ATOM 347 C ILE A 112 1.878 22.583 -2.357 1.00 0.49 C ATOM 348 O ILE A 112 0.822 22.294 -2.885 1.00 0.66 O ATOM 349 CB ILE A 112 2.982 20.561 -1.354 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.517 19.955 -0.054 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.138 20.762 -2.334 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.006 18.531 -0.320 1.00 0.66 C ATOM 0 H ILE A 112 0.439 21.003 -0.644 1.00 0.50 H new ATOM 0 HA ILE A 112 3.014 22.600 -0.566 1.00 0.50 H new ATOM 0 HB ILE A 112 2.245 19.888 -1.792 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.333 20.564 0.335 1.00 0.62 H new ATOM 0 HG13 ILE A 112 2.735 19.947 0.705 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.606 19.801 -2.547 1.00 0.58 H new ATOM 0 HG22 ILE A 112 3.759 21.194 -3.260 1.00 0.58 H new ATOM 0 HG23 ILE A 112 4.875 21.435 -1.895 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.387 18.098 0.605 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.179 17.925 -0.690 1.00 0.66 H new ATOM 0 HD13 ILE A 112 4.801 18.553 -1.065 1.00 0.66 H new ATOM 364 N ASP A 113 2.674 23.477 -2.878 1.00 0.47 N ATOM 365 CA ASP A 113 2.297 24.166 -4.146 1.00 0.50 C ATOM 366 C ASP A 113 3.267 23.778 -5.267 1.00 0.50 C ATOM 367 O ASP A 113 4.241 23.086 -5.045 1.00 0.57 O ATOM 368 CB ASP A 113 2.408 25.659 -3.835 1.00 0.60 C ATOM 369 CG ASP A 113 1.485 26.446 -4.766 1.00 1.17 C ATOM 370 OD1 ASP A 113 1.925 26.793 -5.850 1.00 1.77 O ATOM 371 OD2 ASP A 113 0.353 26.687 -4.381 1.00 1.85 O ATOM 0 H ASP A 113 3.570 23.760 -2.480 1.00 0.47 H new ATOM 0 HA ASP A 113 1.297 23.893 -4.482 1.00 0.50 H new ATOM 0 HB2 ASP A 113 2.138 25.845 -2.796 1.00 0.60 H new ATOM 0 HB3 ASP A 113 3.438 25.992 -3.961 1.00 0.60 H new ATOM 376 N LEU A 114 3.009 24.218 -6.468 1.00 0.52 N ATOM 377 CA LEU A 114 3.917 23.875 -7.601 1.00 0.57 C ATOM 378 C LEU A 114 5.319 24.434 -7.346 1.00 0.63 C ATOM 379 O LEU A 114 6.303 23.916 -7.835 1.00 0.80 O ATOM 380 CB LEU A 114 3.292 24.544 -8.825 1.00 0.62 C ATOM 381 CG LEU A 114 1.931 23.911 -9.115 1.00 0.61 C ATOM 382 CD1 LEU A 114 0.867 25.006 -9.204 1.00 0.91 C ATOM 383 CD2 LEU A 114 1.996 23.156 -10.444 1.00 0.81 C ATOM 0 H LEU A 114 2.209 24.800 -6.715 1.00 0.52 H new ATOM 0 HA LEU A 114 4.023 22.798 -7.732 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.177 25.613 -8.649 1.00 0.62 H new ATOM 0 HB3 LEU A 114 3.948 24.432 -9.688 1.00 0.62 H new ATOM 0 HG LEU A 114 1.673 23.219 -8.313 1.00 0.61 H new ATOM 0 HD11 LEU A 114 -0.103 24.555 -9.411 1.00 0.91 H new ATOM 0 HD12 LEU A 114 0.822 25.547 -8.259 1.00 0.91 H new ATOM 0 HD13 LEU A 114 1.123 25.698 -10.006 1.00 0.91 H new ATOM 0 HD21 LEU A 114 1.027 22.704 -10.653 1.00 0.81 H new ATOM 0 HD22 LEU A 114 2.253 23.850 -11.244 1.00 0.81 H new ATOM 0 HD23 LEU A 114 2.755 22.376 -10.383 1.00 0.81 H new ATOM 395 N ASP A 115 5.416 25.490 -6.588 1.00 0.61 N ATOM 396 CA ASP A 115 6.753 26.086 -6.307 1.00 0.71 C ATOM 397 C ASP A 115 7.450 25.330 -5.172 1.00 0.65 C ATOM 398 O ASP A 115 8.658 25.206 -5.148 1.00 0.89 O ATOM 399 CB ASP A 115 6.465 27.529 -5.891 1.00 0.80 C ATOM 400 CG ASP A 115 7.641 28.421 -6.291 1.00 1.17 C ATOM 401 OD1 ASP A 115 8.670 28.336 -5.641 1.00 1.76 O ATOM 402 OD2 ASP A 115 7.493 29.172 -7.240 1.00 1.76 O ATOM 0 H ASP A 115 4.628 25.967 -6.150 1.00 0.61 H new ATOM 0 HA ASP A 115 7.414 26.033 -7.172 1.00 0.71 H new ATOM 0 HB2 ASP A 115 5.550 27.880 -6.368 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.304 27.583 -4.814 1.00 0.80 H new ATOM 407 N GLU A 116 6.701 24.826 -4.229 1.00 0.51 N ATOM 408 CA GLU A 116 7.329 24.083 -3.098 1.00 0.48 C ATOM 409 C GLU A 116 7.952 22.776 -3.599 1.00 0.49 C ATOM 410 O GLU A 116 9.058 22.429 -3.238 1.00 0.63 O ATOM 411 CB GLU A 116 6.185 23.797 -2.125 1.00 0.48 C ATOM 412 CG GLU A 116 5.530 25.115 -1.705 1.00 0.57 C ATOM 413 CD GLU A 116 4.583 24.863 -0.529 1.00 0.60 C ATOM 414 OE1 GLU A 116 4.643 23.781 0.031 1.00 1.36 O ATOM 415 OE2 GLU A 116 3.816 25.756 -0.210 1.00 1.19 O ATOM 0 H GLU A 116 5.684 24.896 -4.192 1.00 0.51 H new ATOM 0 HA GLU A 116 8.130 24.652 -2.627 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.448 23.146 -2.595 1.00 0.48 H new ATOM 0 HB3 GLU A 116 6.562 23.271 -1.248 1.00 0.48 H new ATOM 0 HG2 GLU A 116 6.294 25.839 -1.422 1.00 0.57 H new ATOM 0 HG3 GLU A 116 4.980 25.543 -2.543 1.00 0.57 H new ATOM 422 N LEU A 117 7.254 22.051 -4.430 1.00 0.48 N ATOM 423 CA LEU A 117 7.816 20.770 -4.950 1.00 0.52 C ATOM 424 C LEU A 117 9.101 21.042 -5.735 1.00 0.58 C ATOM 425 O LEU A 117 10.107 20.388 -5.545 1.00 0.69 O ATOM 426 CB LEU A 117 6.737 20.207 -5.875 1.00 0.55 C ATOM 427 CG LEU A 117 5.432 20.037 -5.098 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.247 20.220 -6.048 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.382 18.635 -4.487 1.00 0.53 C ATOM 0 H LEU A 117 6.322 22.288 -4.771 1.00 0.48 H new ATOM 0 HA LEU A 117 8.068 20.075 -4.149 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.583 20.877 -6.721 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.057 19.248 -6.282 1.00 0.55 H new ATOM 0 HG LEU A 117 5.381 20.782 -4.304 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.315 20.099 -5.495 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.282 21.218 -6.486 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.298 19.474 -6.841 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.452 18.513 -3.933 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.432 17.890 -5.281 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.227 18.502 -3.811 1.00 0.53 H new ATOM 441 N LYS A 118 9.072 22.002 -6.618 1.00 0.59 N ATOM 442 CA LYS A 118 10.286 22.321 -7.419 1.00 0.69 C ATOM 443 C LYS A 118 11.421 22.787 -6.502 1.00 0.64 C ATOM 444 O LYS A 118 12.575 22.476 -6.719 1.00 0.73 O ATOM 445 CB LYS A 118 9.850 23.451 -8.351 1.00 0.83 C ATOM 446 CG LYS A 118 11.073 24.025 -9.064 1.00 0.99 C ATOM 447 CD LYS A 118 11.247 25.495 -8.677 1.00 1.35 C ATOM 448 CE LYS A 118 12.727 25.781 -8.411 1.00 1.51 C ATOM 449 NZ LYS A 118 13.130 26.744 -9.474 1.00 1.99 N ATOM 0 H LYS A 118 8.257 22.581 -6.819 1.00 0.59 H new ATOM 0 HA LYS A 118 10.661 21.457 -7.968 1.00 0.69 H new ATOM 0 HB2 LYS A 118 9.132 23.078 -9.081 1.00 0.83 H new ATOM 0 HB3 LYS A 118 9.348 24.233 -7.781 1.00 0.83 H new ATOM 0 HG2 LYS A 118 11.964 23.459 -8.793 1.00 0.99 H new ATOM 0 HG3 LYS A 118 10.954 23.934 -10.144 1.00 0.99 H new ATOM 0 HD2 LYS A 118 10.879 26.138 -9.476 1.00 1.35 H new ATOM 0 HD3 LYS A 118 10.657 25.721 -7.789 1.00 1.35 H new ATOM 0 HE2 LYS A 118 12.875 26.205 -7.418 1.00 1.51 H new ATOM 0 HE3 LYS A 118 13.321 24.868 -8.460 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 14.134 26.989 -9.358 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 12.985 26.311 -10.408 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 12.553 27.606 -9.399 1.00 1.99 H new ATOM 463 N ILE A 119 11.102 23.531 -5.478 1.00 0.68 N ATOM 464 CA ILE A 119 12.163 24.017 -4.548 1.00 0.74 C ATOM 465 C ILE A 119 12.681 22.861 -3.685 1.00 0.75 C ATOM 466 O ILE A 119 13.790 22.893 -3.191 1.00 0.85 O ATOM 467 CB ILE A 119 11.474 25.076 -3.683 1.00 0.98 C ATOM 468 CG1 ILE A 119 11.384 26.389 -4.464 1.00 1.22 C ATOM 469 CG2 ILE A 119 12.281 25.305 -2.402 1.00 1.08 C ATOM 470 CD1 ILE A 119 10.765 27.471 -3.577 1.00 1.06 C ATOM 0 H ILE A 119 10.153 23.824 -5.245 1.00 0.68 H new ATOM 0 HA ILE A 119 13.025 24.424 -5.077 1.00 0.74 H new ATOM 0 HB ILE A 119 10.473 24.732 -3.423 1.00 0.98 H new ATOM 0 HG12 ILE A 119 12.376 26.697 -4.793 1.00 1.22 H new ATOM 0 HG13 ILE A 119 10.780 26.250 -5.361 1.00 1.22 H new ATOM 0 HG21 ILE A 119 11.786 26.059 -1.790 1.00 1.08 H new ATOM 0 HG22 ILE A 119 12.349 24.372 -1.843 1.00 1.08 H new ATOM 0 HG23 ILE A 119 13.283 25.647 -2.660 1.00 1.08 H new ATOM 0 HD11 ILE A 119 10.701 28.406 -4.134 1.00 1.06 H new ATOM 0 HD12 ILE A 119 9.766 27.162 -3.271 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.387 27.617 -2.694 1.00 1.06 H new ATOM 482 N MET A 120 11.888 21.843 -3.495 1.00 0.85 N ATOM 483 CA MET A 120 12.340 20.692 -2.662 1.00 1.01 C ATOM 484 C MET A 120 13.025 19.636 -3.535 1.00 0.95 C ATOM 485 O MET A 120 13.754 18.794 -3.049 1.00 1.11 O ATOM 486 CB MET A 120 11.064 20.127 -2.039 1.00 1.17 C ATOM 487 CG MET A 120 11.374 18.791 -1.363 1.00 1.52 C ATOM 488 SD MET A 120 11.191 17.449 -2.564 1.00 1.88 S ATOM 489 CE MET A 120 9.423 17.159 -2.311 1.00 1.43 C ATOM 0 H MET A 120 10.947 21.758 -3.880 1.00 0.85 H new ATOM 0 HA MET A 120 13.065 20.993 -1.906 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.660 20.830 -1.310 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.302 19.990 -2.806 1.00 1.17 H new ATOM 0 HG2 MET A 120 12.388 18.800 -0.964 1.00 1.52 H new ATOM 0 HG3 MET A 120 10.701 18.633 -0.520 1.00 1.52 H new ATOM 0 HE1 MET A 120 9.210 16.095 -2.417 1.00 1.43 H new ATOM 0 HE2 MET A 120 9.140 17.488 -1.311 1.00 1.43 H new ATOM 0 HE3 MET A 120 8.853 17.719 -3.052 1.00 1.43 H new ATOM 499 N LEU A 121 12.795 19.671 -4.819 1.00 0.87 N ATOM 500 CA LEU A 121 13.431 18.665 -5.720 1.00 0.95 C ATOM 501 C LEU A 121 14.887 19.046 -6.004 1.00 0.87 C ATOM 502 O LEU A 121 15.721 18.200 -6.263 1.00 0.97 O ATOM 503 CB LEU A 121 12.605 18.710 -7.006 1.00 1.09 C ATOM 504 CG LEU A 121 11.867 17.383 -7.190 1.00 1.41 C ATOM 505 CD1 LEU A 121 10.925 17.151 -6.008 1.00 2.03 C ATOM 506 CD2 LEU A 121 11.052 17.430 -8.484 1.00 1.80 C ATOM 0 H LEU A 121 12.195 20.352 -5.284 1.00 0.87 H new ATOM 0 HA LEU A 121 13.447 17.669 -5.278 1.00 0.95 H new ATOM 0 HB2 LEU A 121 11.890 19.532 -6.962 1.00 1.09 H new ATOM 0 HB3 LEU A 121 13.255 18.898 -7.861 1.00 1.09 H new ATOM 0 HG LEU A 121 12.592 16.571 -7.242 1.00 1.41 H new ATOM 0 HD11 LEU A 121 10.400 16.205 -6.141 1.00 2.03 H new ATOM 0 HD12 LEU A 121 11.502 17.119 -5.084 1.00 2.03 H new ATOM 0 HD13 LEU A 121 10.200 17.964 -5.955 1.00 2.03 H new ATOM 0 HD21 LEU A 121 10.525 16.485 -8.617 1.00 1.80 H new ATOM 0 HD22 LEU A 121 10.329 18.244 -8.429 1.00 1.80 H new ATOM 0 HD23 LEU A 121 11.720 17.595 -9.329 1.00 1.80 H new ATOM 518 N GLN A 122 15.200 20.313 -5.966 1.00 0.82 N ATOM 519 CA GLN A 122 16.606 20.742 -6.244 1.00 0.95 C ATOM 520 C GLN A 122 17.582 19.992 -5.333 1.00 1.04 C ATOM 521 O GLN A 122 18.768 19.942 -5.591 1.00 1.19 O ATOM 522 CB GLN A 122 16.650 22.246 -5.958 1.00 1.14 C ATOM 523 CG GLN A 122 15.824 22.565 -4.713 1.00 1.42 C ATOM 524 CD GLN A 122 16.535 23.637 -3.885 1.00 1.85 C ATOM 525 OE1 GLN A 122 16.788 23.446 -2.712 1.00 2.44 O ATOM 526 NE2 GLN A 122 16.869 24.766 -4.449 1.00 2.28 N ATOM 0 H GLN A 122 14.548 21.069 -5.756 1.00 0.82 H new ATOM 0 HA GLN A 122 16.897 20.524 -7.272 1.00 0.95 H new ATOM 0 HB2 GLN A 122 17.681 22.567 -5.812 1.00 1.14 H new ATOM 0 HB3 GLN A 122 16.262 22.799 -6.814 1.00 1.14 H new ATOM 0 HG2 GLN A 122 14.832 22.913 -5.002 1.00 1.42 H new ATOM 0 HG3 GLN A 122 15.684 21.664 -4.116 1.00 1.42 H new ATOM 0 HE21 GLN A 122 16.657 24.927 -5.434 1.00 2.28 H new ATOM 0 HE22 GLN A 122 17.342 25.487 -3.905 1.00 2.28 H new ATOM 535 N ALA A 123 17.096 19.407 -4.274 1.00 1.09 N ATOM 536 CA ALA A 123 18.002 18.661 -3.355 1.00 1.33 C ATOM 537 C ALA A 123 18.972 17.790 -4.159 1.00 1.38 C ATOM 538 O ALA A 123 20.051 17.466 -3.705 1.00 1.62 O ATOM 539 CB ALA A 123 17.076 17.789 -2.507 1.00 1.45 C ATOM 0 H ALA A 123 16.112 19.413 -4.005 1.00 1.09 H new ATOM 0 HA ALA A 123 18.608 19.328 -2.742 1.00 1.33 H new ATOM 0 HB1 ALA A 123 17.669 17.206 -1.802 1.00 1.45 H new ATOM 0 HB2 ALA A 123 16.380 18.424 -1.958 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.517 17.114 -3.155 1.00 1.45 H new ATOM 545 N THR A 124 18.597 17.407 -5.351 1.00 1.29 N ATOM 546 CA THR A 124 19.502 16.556 -6.178 1.00 1.47 C ATOM 547 C THR A 124 19.932 17.308 -7.441 1.00 1.44 C ATOM 548 O THR A 124 20.710 16.814 -8.233 1.00 1.72 O ATOM 549 CB THR A 124 18.670 15.325 -6.543 1.00 1.56 C ATOM 550 OG1 THR A 124 19.443 14.461 -7.364 1.00 2.16 O ATOM 551 CG2 THR A 124 17.413 15.760 -7.299 1.00 1.92 C ATOM 0 H THR A 124 17.706 17.646 -5.787 1.00 1.29 H new ATOM 0 HA THR A 124 20.414 16.287 -5.644 1.00 1.47 H new ATOM 0 HB THR A 124 18.379 14.800 -5.633 1.00 1.56 H new ATOM 0 HG1 THR A 124 20.163 14.972 -7.789 1.00 2.16 H new ATOM 0 HG21 THR A 124 16.822 14.882 -7.558 1.00 1.92 H new ATOM 0 HG22 THR A 124 16.821 16.423 -6.669 1.00 1.92 H new ATOM 0 HG23 THR A 124 17.700 16.286 -8.210 1.00 1.92 H new ATOM 559 N GLY A 125 19.433 18.498 -7.636 1.00 1.26 N ATOM 560 CA GLY A 125 19.816 19.279 -8.847 1.00 1.32 C ATOM 561 C GLY A 125 18.668 19.260 -9.858 1.00 1.26 C ATOM 562 O GLY A 125 18.882 19.275 -11.053 1.00 1.63 O ATOM 0 H GLY A 125 18.777 18.963 -7.009 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.052 20.306 -8.569 1.00 1.32 H new ATOM 0 HA3 GLY A 125 20.715 18.856 -9.295 1.00 1.32 H new ATOM 566 N GLU A 126 17.451 19.221 -9.388 1.00 1.02 N ATOM 567 CA GLU A 126 16.286 19.195 -10.322 1.00 1.08 C ATOM 568 C GLU A 126 16.469 20.224 -11.447 1.00 0.89 C ATOM 569 O GLU A 126 16.078 21.368 -11.333 1.00 0.87 O ATOM 570 CB GLU A 126 15.070 19.541 -9.450 1.00 1.34 C ATOM 571 CG GLU A 126 15.133 21.010 -9.017 1.00 1.45 C ATOM 572 CD GLU A 126 14.082 21.814 -9.785 1.00 1.61 C ATOM 573 OE1 GLU A 126 13.080 21.230 -10.166 1.00 2.09 O ATOM 574 OE2 GLU A 126 14.296 22.999 -9.980 1.00 2.16 O ATOM 0 H GLU A 126 17.211 19.206 -8.397 1.00 1.02 H new ATOM 0 HA GLU A 126 16.172 18.227 -10.810 1.00 1.08 H new ATOM 0 HB2 GLU A 126 14.150 19.357 -10.005 1.00 1.34 H new ATOM 0 HB3 GLU A 126 15.047 18.896 -8.572 1.00 1.34 H new ATOM 0 HG2 GLU A 126 14.957 21.092 -7.944 1.00 1.45 H new ATOM 0 HG3 GLU A 126 16.127 21.414 -9.208 1.00 1.45 H new ATOM 581 N THR A 127 17.053 19.824 -12.543 1.00 1.09 N ATOM 582 CA THR A 127 17.243 20.781 -13.669 1.00 1.21 C ATOM 583 C THR A 127 16.356 20.375 -14.846 1.00 1.29 C ATOM 584 O THR A 127 16.732 19.568 -15.672 1.00 1.60 O ATOM 585 CB THR A 127 18.721 20.669 -14.046 1.00 1.57 C ATOM 586 OG1 THR A 127 18.936 21.301 -15.300 1.00 1.91 O ATOM 587 CG2 THR A 127 19.115 19.195 -14.142 1.00 2.18 C ATOM 0 H THR A 127 17.405 18.881 -12.707 1.00 1.09 H new ATOM 0 HA THR A 127 16.974 21.802 -13.398 1.00 1.21 H new ATOM 0 HB THR A 127 19.329 21.156 -13.283 1.00 1.57 H new ATOM 0 HG1 THR A 127 19.883 21.232 -15.543 1.00 1.91 H new ATOM 0 HG21 THR A 127 20.168 19.117 -14.411 1.00 2.18 H new ATOM 0 HG22 THR A 127 18.949 18.711 -13.180 1.00 2.18 H new ATOM 0 HG23 THR A 127 18.509 18.705 -14.904 1.00 2.18 H new ATOM 595 N ILE A 128 15.179 20.929 -14.929 1.00 1.08 N ATOM 596 CA ILE A 128 14.268 20.574 -16.051 1.00 1.20 C ATOM 597 C ILE A 128 13.594 21.832 -16.602 1.00 1.18 C ATOM 598 O ILE A 128 13.531 22.852 -15.945 1.00 1.15 O ATOM 599 CB ILE A 128 13.235 19.630 -15.435 1.00 1.12 C ATOM 600 CG1 ILE A 128 12.517 20.338 -14.283 1.00 1.32 C ATOM 601 CG2 ILE A 128 13.941 18.381 -14.904 1.00 1.62 C ATOM 602 CD1 ILE A 128 11.709 19.318 -13.478 1.00 2.03 C ATOM 0 H ILE A 128 14.809 21.612 -14.268 1.00 1.08 H new ATOM 0 HA ILE A 128 14.795 20.110 -16.885 1.00 1.20 H new ATOM 0 HB ILE A 128 12.507 19.343 -16.194 1.00 1.12 H new ATOM 0 HG12 ILE A 128 13.243 20.833 -13.638 1.00 1.32 H new ATOM 0 HG13 ILE A 128 11.857 21.113 -14.674 1.00 1.32 H new ATOM 0 HG21 ILE A 128 13.206 17.707 -14.464 1.00 1.62 H new ATOM 0 HG22 ILE A 128 14.452 17.876 -15.724 1.00 1.62 H new ATOM 0 HG23 ILE A 128 14.669 18.669 -14.145 1.00 1.62 H new ATOM 0 HD11 ILE A 128 11.198 19.824 -12.658 1.00 2.03 H new ATOM 0 HD12 ILE A 128 10.973 18.844 -14.127 1.00 2.03 H new ATOM 0 HD13 ILE A 128 12.380 18.559 -13.075 1.00 2.03 H new ATOM 614 N THR A 129 13.087 21.768 -17.802 1.00 1.34 N ATOM 615 CA THR A 129 12.415 22.961 -18.389 1.00 1.42 C ATOM 616 C THR A 129 11.136 23.276 -17.608 1.00 1.16 C ATOM 617 O THR A 129 10.469 22.391 -17.111 1.00 0.97 O ATOM 618 CB THR A 129 12.079 22.561 -19.827 1.00 1.64 C ATOM 619 OG1 THR A 129 11.460 23.656 -20.488 1.00 2.23 O ATOM 620 CG2 THR A 129 11.128 21.364 -19.815 1.00 2.28 C ATOM 0 H THR A 129 13.109 20.943 -18.401 1.00 1.34 H new ATOM 0 HA THR A 129 13.043 23.851 -18.352 1.00 1.42 H new ATOM 0 HB THR A 129 12.994 22.289 -20.354 1.00 1.64 H new ATOM 0 HG1 THR A 129 11.245 23.403 -21.410 1.00 2.23 H new ATOM 0 HG21 THR A 129 10.889 21.079 -20.840 1.00 2.28 H new ATOM 0 HG22 THR A 129 11.605 20.526 -19.307 1.00 2.28 H new ATOM 0 HG23 THR A 129 10.212 21.633 -19.290 1.00 2.28 H new ATOM 628 N GLU A 130 10.788 24.528 -17.496 1.00 1.31 N ATOM 629 CA GLU A 130 9.550 24.889 -16.747 1.00 1.28 C ATOM 630 C GLU A 130 8.374 24.041 -17.238 1.00 1.16 C ATOM 631 O GLU A 130 7.391 23.865 -16.546 1.00 1.21 O ATOM 632 CB GLU A 130 9.314 26.368 -17.056 1.00 1.69 C ATOM 633 CG GLU A 130 9.029 26.540 -18.549 1.00 2.05 C ATOM 634 CD GLU A 130 7.711 27.294 -18.734 1.00 2.43 C ATOM 635 OE1 GLU A 130 6.883 27.228 -17.841 1.00 3.03 O ATOM 636 OE2 GLU A 130 7.552 27.924 -19.766 1.00 2.70 O ATOM 0 H GLU A 130 11.305 25.315 -17.889 1.00 1.31 H new ATOM 0 HA GLU A 130 9.647 24.710 -15.676 1.00 1.28 H new ATOM 0 HB2 GLU A 130 8.475 26.743 -16.470 1.00 1.69 H new ATOM 0 HB3 GLU A 130 10.189 26.953 -16.772 1.00 1.69 H new ATOM 0 HG2 GLU A 130 9.843 27.087 -19.025 1.00 2.05 H new ATOM 0 HG3 GLU A 130 8.974 25.565 -19.034 1.00 2.05 H new ATOM 643 N ASP A 131 8.470 23.511 -18.427 1.00 1.18 N ATOM 644 CA ASP A 131 7.362 22.670 -18.962 1.00 1.19 C ATOM 645 C ASP A 131 7.339 21.316 -18.250 1.00 1.07 C ATOM 646 O ASP A 131 6.368 20.588 -18.311 1.00 1.14 O ATOM 647 CB ASP A 131 7.686 22.491 -20.446 1.00 1.44 C ATOM 648 CG ASP A 131 6.390 22.288 -21.233 1.00 1.48 C ATOM 649 OD1 ASP A 131 5.867 21.186 -21.200 1.00 2.07 O ATOM 650 OD2 ASP A 131 5.943 23.237 -21.855 1.00 1.91 O ATOM 0 H ASP A 131 9.269 23.624 -19.051 1.00 1.18 H new ATOM 0 HA ASP A 131 6.383 23.126 -18.810 1.00 1.19 H new ATOM 0 HB2 ASP A 131 8.218 23.366 -20.821 1.00 1.44 H new ATOM 0 HB3 ASP A 131 8.345 21.634 -20.584 1.00 1.44 H new ATOM 655 N ASP A 132 8.402 20.974 -17.576 1.00 1.00 N ATOM 656 CA ASP A 132 8.442 19.667 -16.860 1.00 1.03 C ATOM 657 C ASP A 132 8.036 19.851 -15.396 1.00 0.88 C ATOM 658 O ASP A 132 7.775 18.897 -14.690 1.00 1.03 O ATOM 659 CB ASP A 132 9.896 19.207 -16.958 1.00 1.13 C ATOM 660 CG ASP A 132 10.025 18.154 -18.060 1.00 1.39 C ATOM 661 OD1 ASP A 132 9.242 18.205 -18.994 1.00 1.79 O ATOM 662 OD2 ASP A 132 10.903 17.315 -17.950 1.00 1.99 O ATOM 0 H ASP A 132 9.245 21.542 -17.490 1.00 1.00 H new ATOM 0 HA ASP A 132 7.753 18.940 -17.291 1.00 1.03 H new ATOM 0 HB2 ASP A 132 10.543 20.057 -17.175 1.00 1.13 H new ATOM 0 HB3 ASP A 132 10.222 18.792 -16.004 1.00 1.13 H new ATOM 667 N ILE A 133 7.982 21.070 -14.933 1.00 0.75 N ATOM 668 CA ILE A 133 7.593 21.311 -13.513 1.00 0.77 C ATOM 669 C ILE A 133 6.119 20.954 -13.302 1.00 0.70 C ATOM 670 O ILE A 133 5.781 20.140 -12.464 1.00 0.82 O ATOM 671 CB ILE A 133 7.823 22.805 -13.285 1.00 0.87 C ATOM 672 CG1 ILE A 133 9.268 23.159 -13.644 1.00 0.96 C ATOM 673 CG2 ILE A 133 7.569 23.143 -11.815 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.224 22.340 -12.775 1.00 1.00 C ATOM 0 H ILE A 133 8.190 21.909 -15.475 1.00 0.75 H new ATOM 0 HA ILE A 133 8.170 20.701 -12.817 1.00 0.77 H new ATOM 0 HB ILE A 133 7.140 23.376 -13.913 1.00 0.87 H new ATOM 0 HG12 ILE A 133 9.453 22.955 -14.699 1.00 0.96 H new ATOM 0 HG13 ILE A 133 9.442 24.224 -13.490 1.00 0.96 H new ATOM 0 HG21 ILE A 133 7.733 24.208 -11.653 1.00 1.06 H new ATOM 0 HG22 ILE A 133 6.541 22.891 -11.556 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.252 22.571 -11.187 1.00 1.06 H new ATOM 0 HD11 ILE A 133 11.253 22.591 -13.030 1.00 1.00 H new ATOM 0 HD12 ILE A 133 10.045 22.567 -11.724 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.056 21.278 -12.951 1.00 1.00 H new ATOM 686 N GLU A 134 5.240 21.554 -14.056 1.00 0.61 N ATOM 687 CA GLU A 134 3.789 21.248 -13.899 1.00 0.64 C ATOM 688 C GLU A 134 3.561 19.734 -13.932 1.00 0.64 C ATOM 689 O GLU A 134 2.564 19.235 -13.449 1.00 0.76 O ATOM 690 CB GLU A 134 3.113 21.918 -15.097 1.00 0.73 C ATOM 691 CG GLU A 134 3.419 23.417 -15.085 1.00 0.89 C ATOM 692 CD GLU A 134 2.401 24.153 -15.958 1.00 1.21 C ATOM 693 OE1 GLU A 134 1.218 24.035 -15.684 1.00 1.86 O ATOM 694 OE2 GLU A 134 2.823 24.822 -16.888 1.00 1.87 O ATOM 0 H GLU A 134 5.463 22.243 -14.774 1.00 0.61 H new ATOM 0 HA GLU A 134 3.390 21.608 -12.951 1.00 0.64 H new ATOM 0 HB2 GLU A 134 3.469 21.471 -16.025 1.00 0.73 H new ATOM 0 HB3 GLU A 134 2.036 21.756 -15.058 1.00 0.73 H new ATOM 0 HG2 GLU A 134 3.382 23.798 -14.065 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.428 23.596 -15.456 1.00 0.89 H new ATOM 701 N GLU A 135 4.478 19.000 -14.500 1.00 0.59 N ATOM 702 CA GLU A 135 4.315 17.519 -14.567 1.00 0.67 C ATOM 703 C GLU A 135 4.336 16.915 -13.159 1.00 0.74 C ATOM 704 O GLU A 135 3.334 16.444 -12.660 1.00 0.91 O ATOM 705 CB GLU A 135 5.515 17.027 -15.378 1.00 0.72 C ATOM 706 CG GLU A 135 5.029 16.415 -16.693 1.00 1.16 C ATOM 707 CD GLU A 135 4.950 14.894 -16.552 1.00 1.56 C ATOM 708 OE1 GLU A 135 5.583 14.369 -15.651 1.00 2.03 O ATOM 709 OE2 GLU A 135 4.257 14.280 -17.347 1.00 2.29 O ATOM 0 H GLU A 135 5.334 19.361 -14.921 1.00 0.59 H new ATOM 0 HA GLU A 135 3.367 17.229 -15.020 1.00 0.67 H new ATOM 0 HB2 GLU A 135 6.195 17.855 -15.580 1.00 0.72 H new ATOM 0 HB3 GLU A 135 6.075 16.287 -14.806 1.00 0.72 H new ATOM 0 HG2 GLU A 135 4.050 16.818 -16.953 1.00 1.16 H new ATOM 0 HG3 GLU A 135 5.709 16.681 -17.503 1.00 1.16 H new ATOM 716 N LEU A 136 5.472 16.922 -12.517 1.00 0.73 N ATOM 717 CA LEU A 136 5.559 16.344 -11.145 1.00 0.87 C ATOM 718 C LEU A 136 4.368 16.798 -10.294 1.00 0.81 C ATOM 719 O LEU A 136 3.850 16.050 -9.489 1.00 1.00 O ATOM 720 CB LEU A 136 6.868 16.886 -10.570 1.00 0.99 C ATOM 721 CG LEU A 136 8.050 16.229 -11.286 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.134 17.275 -11.547 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.622 15.112 -10.408 1.00 1.75 C ATOM 0 H LEU A 136 6.344 17.303 -12.883 1.00 0.73 H new ATOM 0 HA LEU A 136 5.537 15.254 -11.157 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.911 17.968 -10.692 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.919 16.684 -9.500 1.00 0.99 H new ATOM 0 HG LEU A 136 7.712 15.810 -12.234 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.976 16.807 -12.057 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.729 18.071 -12.171 1.00 1.74 H new ATOM 0 HD13 LEU A 136 9.471 17.694 -10.599 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.464 14.644 -10.918 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.959 15.531 -9.460 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.850 14.365 -10.221 1.00 1.75 H new ATOM 735 N MET A 137 3.930 18.016 -10.463 1.00 0.67 N ATOM 736 CA MET A 137 2.774 18.506 -9.657 1.00 0.71 C ATOM 737 C MET A 137 1.489 17.782 -10.072 1.00 0.68 C ATOM 738 O MET A 137 0.606 17.561 -9.268 1.00 0.70 O ATOM 739 CB MET A 137 2.672 20.000 -9.967 1.00 0.82 C ATOM 740 CG MET A 137 2.260 20.756 -8.702 1.00 0.99 C ATOM 741 SD MET A 137 0.463 20.972 -8.686 1.00 0.94 S ATOM 742 CE MET A 137 0.322 21.611 -6.999 1.00 0.53 C ATOM 0 H MET A 137 4.320 18.691 -11.121 1.00 0.67 H new ATOM 0 HA MET A 137 2.911 18.321 -8.592 1.00 0.71 H new ATOM 0 HB2 MET A 137 3.629 20.373 -10.331 1.00 0.82 H new ATOM 0 HB3 MET A 137 1.942 20.169 -10.759 1.00 0.82 H new ATOM 0 HG2 MET A 137 2.579 20.206 -7.817 1.00 0.99 H new ATOM 0 HG3 MET A 137 2.754 21.727 -8.669 1.00 0.99 H new ATOM 0 HE1 MET A 137 -0.527 21.142 -6.502 1.00 0.53 H new ATOM 0 HE2 MET A 137 1.235 21.386 -6.447 1.00 0.53 H new ATOM 0 HE3 MET A 137 0.174 22.690 -7.030 1.00 0.53 H new ATOM 752 N LYS A 138 1.377 17.410 -11.318 1.00 0.76 N ATOM 753 CA LYS A 138 0.145 16.700 -11.773 1.00 0.82 C ATOM 754 C LYS A 138 -0.003 15.372 -11.026 1.00 0.72 C ATOM 755 O LYS A 138 -1.030 15.090 -10.441 1.00 0.84 O ATOM 756 CB LYS A 138 0.349 16.457 -13.269 1.00 0.99 C ATOM 757 CG LYS A 138 -0.275 17.607 -14.063 1.00 1.57 C ATOM 758 CD LYS A 138 -1.351 17.057 -15.002 1.00 2.09 C ATOM 759 CE LYS A 138 -0.708 16.112 -16.020 1.00 2.74 C ATOM 760 NZ LYS A 138 0.316 16.938 -16.719 1.00 3.43 N ATOM 0 H LYS A 138 2.082 17.566 -12.039 1.00 0.76 H new ATOM 0 HA LYS A 138 -0.759 17.278 -11.578 1.00 0.82 H new ATOM 0 HB2 LYS A 138 1.413 16.381 -13.494 1.00 0.99 H new ATOM 0 HB3 LYS A 138 -0.107 15.511 -13.560 1.00 0.99 H new ATOM 0 HG2 LYS A 138 -0.711 18.338 -13.382 1.00 1.57 H new ATOM 0 HG3 LYS A 138 0.493 18.125 -14.637 1.00 1.57 H new ATOM 0 HD2 LYS A 138 -2.112 16.527 -14.429 1.00 2.09 H new ATOM 0 HD3 LYS A 138 -1.852 17.876 -15.517 1.00 2.09 H new ATOM 0 HE2 LYS A 138 -0.253 15.252 -15.528 1.00 2.74 H new ATOM 0 HE3 LYS A 138 -1.448 15.724 -16.720 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 0.495 16.542 -17.664 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 -0.030 17.914 -16.812 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 1.199 16.935 -16.169 1.00 3.43 H new ATOM 774 N ASP A 139 1.016 14.555 -11.036 1.00 0.75 N ATOM 775 CA ASP A 139 0.927 13.250 -10.320 1.00 0.78 C ATOM 776 C ASP A 139 0.474 13.477 -8.875 1.00 0.70 C ATOM 777 O ASP A 139 -0.160 12.634 -8.273 1.00 0.81 O ATOM 778 CB ASP A 139 2.346 12.679 -10.356 1.00 0.97 C ATOM 779 CG ASP A 139 2.604 12.040 -11.722 1.00 1.16 C ATOM 780 OD1 ASP A 139 1.682 11.452 -12.263 1.00 1.66 O ATOM 781 OD2 ASP A 139 3.719 12.149 -12.203 1.00 1.69 O ATOM 0 H ASP A 139 1.903 14.734 -11.507 1.00 0.75 H new ATOM 0 HA ASP A 139 0.207 12.572 -10.778 1.00 0.78 H new ATOM 0 HB2 ASP A 139 3.073 13.470 -10.169 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.472 11.938 -9.566 1.00 0.97 H new ATOM 786 N GLY A 140 0.791 14.614 -8.318 1.00 0.64 N ATOM 787 CA GLY A 140 0.375 14.901 -6.916 1.00 0.62 C ATOM 788 C GLY A 140 -0.842 15.827 -6.930 1.00 0.57 C ATOM 789 O GLY A 140 -1.494 16.028 -5.925 1.00 0.65 O ATOM 0 H GLY A 140 1.321 15.357 -8.774 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.134 13.972 -6.399 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.195 15.367 -6.369 1.00 0.62 H new ATOM 793 N ASP A 141 -1.154 16.391 -8.065 1.00 0.56 N ATOM 794 CA ASP A 141 -2.329 17.304 -8.150 1.00 0.56 C ATOM 795 C ASP A 141 -3.088 17.063 -9.457 1.00 0.58 C ATOM 796 O ASP A 141 -3.391 17.983 -10.190 1.00 0.64 O ATOM 797 CB ASP A 141 -1.736 18.714 -8.126 1.00 0.60 C ATOM 798 CG ASP A 141 -2.842 19.729 -7.830 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.906 19.310 -7.405 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.606 20.908 -8.035 1.00 1.23 O ATOM 0 H ASP A 141 -0.645 16.258 -8.939 1.00 0.56 H new ATOM 0 HA ASP A 141 -3.037 17.146 -7.337 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.956 18.779 -7.367 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.268 18.939 -9.084 1.00 0.60 H new ATOM 805 N LYS A 142 -3.395 15.830 -9.755 1.00 0.62 N ATOM 806 CA LYS A 142 -4.132 15.527 -11.016 1.00 0.70 C ATOM 807 C LYS A 142 -5.331 16.465 -11.171 1.00 0.79 C ATOM 808 O LYS A 142 -5.820 16.688 -12.261 1.00 0.92 O ATOM 809 CB LYS A 142 -4.600 14.079 -10.863 1.00 0.79 C ATOM 810 CG LYS A 142 -3.860 13.194 -11.868 1.00 0.88 C ATOM 811 CD LYS A 142 -4.106 11.721 -11.533 1.00 1.37 C ATOM 812 CE LYS A 142 -3.647 11.438 -10.101 1.00 1.79 C ATOM 813 NZ LYS A 142 -3.569 9.953 -10.009 1.00 2.44 N ATOM 0 H LYS A 142 -3.168 15.019 -9.180 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.509 15.664 -11.900 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.412 13.730 -9.848 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.675 14.014 -11.028 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -4.203 13.410 -12.880 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -2.792 13.410 -11.841 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -5.165 11.485 -11.640 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -3.565 11.083 -12.232 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -2.680 11.898 -9.898 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -4.351 11.842 -9.373 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -2.809 9.685 -9.352 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -4.475 9.579 -9.662 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -3.369 9.557 -10.950 1.00 2.44 H new ATOM 827 N ASN A 143 -5.811 17.015 -10.090 1.00 0.80 N ATOM 828 CA ASN A 143 -6.980 17.937 -10.177 1.00 0.95 C ATOM 829 C ASN A 143 -6.512 19.354 -10.519 1.00 0.92 C ATOM 830 O ASN A 143 -7.239 20.136 -11.098 1.00 1.08 O ATOM 831 CB ASN A 143 -7.618 17.906 -8.787 1.00 1.07 C ATOM 832 CG ASN A 143 -7.676 16.465 -8.278 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.163 15.586 -8.961 1.00 1.95 O ATOM 834 ND2 ASN A 143 -7.195 16.183 -7.099 1.00 1.70 N ATOM 0 H ASN A 143 -5.445 16.866 -9.150 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.683 17.637 -10.954 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -7.041 18.522 -8.098 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -8.622 18.328 -8.828 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -7.228 15.225 -6.751 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -6.786 16.921 -6.525 1.00 1.70 H new ATOM 841 N ASN A 144 -5.302 19.691 -10.163 1.00 0.86 N ATOM 842 CA ASN A 144 -4.791 21.058 -10.466 1.00 0.93 C ATOM 843 C ASN A 144 -5.668 22.111 -9.784 1.00 1.03 C ATOM 844 O ASN A 144 -6.085 23.076 -10.395 1.00 1.71 O ATOM 845 CB ASN A 144 -4.882 21.188 -11.987 1.00 1.08 C ATOM 846 CG ASN A 144 -4.095 22.418 -12.443 1.00 1.49 C ATOM 847 OD1 ASN A 144 -4.164 23.461 -11.823 1.00 2.18 O ATOM 848 ND2 ASN A 144 -3.346 22.341 -13.509 1.00 1.97 N ATOM 0 H ASN A 144 -4.646 19.080 -9.676 1.00 0.86 H new ATOM 0 HA ASN A 144 -3.773 21.208 -10.105 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -4.485 20.292 -12.463 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -5.924 21.276 -12.293 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -2.819 23.156 -13.822 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -3.288 21.466 -14.029 1.00 1.97 H new ATOM 855 N ASP A 145 -5.952 21.933 -8.523 1.00 0.88 N ATOM 856 CA ASP A 145 -6.803 22.924 -7.804 1.00 0.92 C ATOM 857 C ASP A 145 -5.941 24.064 -7.255 1.00 0.91 C ATOM 858 O ASP A 145 -6.437 25.114 -6.898 1.00 1.07 O ATOM 859 CB ASP A 145 -7.445 22.137 -6.660 1.00 0.93 C ATOM 860 CG ASP A 145 -6.359 21.655 -5.698 1.00 1.40 C ATOM 861 OD1 ASP A 145 -5.438 20.999 -6.157 1.00 2.06 O ATOM 862 OD2 ASP A 145 -6.466 21.948 -4.519 1.00 1.89 O ATOM 0 H ASP A 145 -5.632 21.145 -7.960 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.549 23.378 -8.456 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -8.162 22.765 -6.131 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.998 21.286 -7.056 1.00 0.93 H new ATOM 867 N GLY A 146 -4.652 23.866 -7.185 1.00 0.84 N ATOM 868 CA GLY A 146 -3.761 24.940 -6.659 1.00 0.92 C ATOM 869 C GLY A 146 -3.242 24.546 -5.274 1.00 0.66 C ATOM 870 O GLY A 146 -2.515 25.285 -4.640 1.00 0.74 O ATOM 0 H GLY A 146 -4.178 23.008 -7.469 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -2.925 25.098 -7.340 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -4.306 25.882 -6.599 1.00 0.92 H new ATOM 874 N ARG A 147 -3.610 23.388 -4.798 1.00 0.56 N ATOM 875 CA ARG A 147 -3.136 22.948 -3.454 1.00 0.54 C ATOM 876 C ARG A 147 -3.021 21.422 -3.412 1.00 0.46 C ATOM 877 O ARG A 147 -3.874 20.712 -3.908 1.00 0.45 O ATOM 878 CB ARG A 147 -4.206 23.436 -2.476 1.00 0.77 C ATOM 879 CG ARG A 147 -3.770 24.769 -1.866 1.00 1.39 C ATOM 880 CD ARG A 147 -2.979 24.509 -0.582 1.00 1.79 C ATOM 881 NE ARG A 147 -2.888 25.835 0.090 1.00 2.55 N ATOM 882 CZ ARG A 147 -3.952 26.379 0.618 1.00 2.87 C ATOM 883 NH1 ARG A 147 -5.104 25.766 0.552 1.00 3.10 N ATOM 884 NH2 ARG A 147 -3.865 27.537 1.212 1.00 3.37 N ATOM 0 H ARG A 147 -4.218 22.727 -5.281 1.00 0.56 H new ATOM 0 HA ARG A 147 -2.152 23.348 -3.209 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -5.159 23.554 -2.992 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -4.359 22.697 -1.690 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -3.157 25.323 -2.577 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -4.643 25.385 -1.649 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -3.484 23.779 0.051 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -1.989 24.109 -0.802 1.00 1.79 H new ATOM 0 HE ARG A 147 -1.992 26.320 0.138 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -5.174 24.861 0.087 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -5.933 26.193 0.965 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -2.967 28.017 1.264 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -4.695 27.962 1.624 1.00 3.37 H new ATOM 898 N ILE A 148 -1.972 20.913 -2.828 1.00 0.49 N ATOM 899 CA ILE A 148 -1.802 19.432 -2.761 1.00 0.44 C ATOM 900 C ILE A 148 -1.945 18.944 -1.317 1.00 0.46 C ATOM 901 O ILE A 148 -1.094 19.182 -0.483 1.00 0.63 O ATOM 902 CB ILE A 148 -0.386 19.172 -3.273 1.00 0.46 C ATOM 903 CG1 ILE A 148 -0.323 19.471 -4.772 1.00 0.56 C ATOM 904 CG2 ILE A 148 -0.017 17.708 -3.032 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.054 19.078 -5.310 1.00 0.63 C ATOM 0 H ILE A 148 -1.225 21.456 -2.394 1.00 0.49 H new ATOM 0 HA ILE A 148 -2.554 18.906 -3.350 1.00 0.44 H new ATOM 0 HB ILE A 148 0.315 19.816 -2.743 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -1.102 18.919 -5.297 1.00 0.56 H new ATOM 0 HG13 ILE A 148 -0.507 20.530 -4.951 1.00 0.56 H new ATOM 0 HG21 ILE A 148 0.993 17.522 -3.397 1.00 0.47 H new ATOM 0 HG22 ILE A 148 -0.062 17.492 -1.964 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.719 17.064 -3.562 1.00 0.47 H new ATOM 0 HD11 ILE A 148 1.101 19.290 -6.378 1.00 0.63 H new ATOM 0 HD12 ILE A 148 1.824 19.650 -4.792 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.219 18.014 -5.144 1.00 0.63 H new ATOM 917 N ASP A 149 -3.012 18.258 -1.017 1.00 0.48 N ATOM 918 CA ASP A 149 -3.204 17.750 0.370 1.00 0.53 C ATOM 919 C ASP A 149 -2.342 16.506 0.595 1.00 0.53 C ATOM 920 O ASP A 149 -1.501 16.169 -0.214 1.00 0.63 O ATOM 921 CB ASP A 149 -4.688 17.396 0.460 1.00 0.58 C ATOM 922 CG ASP A 149 -5.529 18.625 0.114 1.00 1.05 C ATOM 923 OD1 ASP A 149 -5.383 19.629 0.792 1.00 1.65 O ATOM 924 OD2 ASP A 149 -6.305 18.543 -0.824 1.00 1.84 O ATOM 0 H ASP A 149 -3.759 18.027 -1.672 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.914 18.482 1.124 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.920 16.580 -0.224 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.929 17.048 1.465 1.00 0.58 H new ATOM 929 N TYR A 150 -2.545 15.818 1.685 1.00 0.58 N ATOM 930 CA TYR A 150 -1.736 14.594 1.952 1.00 0.60 C ATOM 931 C TYR A 150 -2.305 13.411 1.165 1.00 0.59 C ATOM 932 O TYR A 150 -1.576 12.615 0.607 1.00 0.63 O ATOM 933 CB TYR A 150 -1.866 14.351 3.455 1.00 0.73 C ATOM 934 CG TYR A 150 -1.090 13.112 3.833 1.00 0.72 C ATOM 935 CD1 TYR A 150 0.295 13.184 4.028 1.00 1.22 C ATOM 936 CD2 TYR A 150 -1.756 11.890 3.987 1.00 1.15 C ATOM 937 CE1 TYR A 150 1.013 12.034 4.378 1.00 1.56 C ATOM 938 CE2 TYR A 150 -1.037 10.740 4.337 1.00 1.43 C ATOM 939 CZ TYR A 150 0.347 10.813 4.532 1.00 1.48 C ATOM 940 OH TYR A 150 1.055 9.679 4.878 1.00 1.96 O ATOM 0 H TYR A 150 -3.234 16.049 2.401 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.695 14.710 1.650 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -1.489 15.212 4.007 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -2.915 14.233 3.726 1.00 0.73 H new ATOM 0 HD1 TYR A 150 0.809 14.126 3.908 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -2.824 11.834 3.836 1.00 1.15 H new ATOM 0 HE1 TYR A 150 2.081 12.089 4.529 1.00 1.56 H new ATOM 0 HE2 TYR A 150 -1.550 9.797 4.456 1.00 1.43 H new ATOM 0 HH TYR A 150 0.828 9.419 5.795 1.00 1.96 H new ATOM 950 N ASP A 151 -3.603 13.291 1.113 1.00 0.64 N ATOM 951 CA ASP A 151 -4.219 12.162 0.360 1.00 0.70 C ATOM 952 C ASP A 151 -3.760 12.195 -1.100 1.00 0.63 C ATOM 953 O ASP A 151 -3.737 11.187 -1.777 1.00 0.77 O ATOM 954 CB ASP A 151 -5.727 12.399 0.453 1.00 0.79 C ATOM 955 CG ASP A 151 -6.467 11.080 0.227 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.337 10.528 -0.853 1.00 1.83 O ATOM 957 OD2 ASP A 151 -7.151 10.644 1.138 1.00 1.90 O ATOM 0 H ASP A 151 -4.264 13.926 1.560 1.00 0.64 H new ATOM 0 HA ASP A 151 -3.935 11.190 0.763 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -5.982 12.808 1.431 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.037 13.134 -0.290 1.00 0.79 H new ATOM 962 N GLU A 152 -3.391 13.348 -1.586 1.00 0.54 N ATOM 963 CA GLU A 152 -2.930 13.451 -3.000 1.00 0.56 C ATOM 964 C GLU A 152 -1.426 13.179 -3.081 1.00 0.52 C ATOM 965 O GLU A 152 -0.940 12.600 -4.032 1.00 0.65 O ATOM 966 CB GLU A 152 -3.241 14.891 -3.411 1.00 0.60 C ATOM 967 CG GLU A 152 -4.743 15.146 -3.271 1.00 0.77 C ATOM 968 CD GLU A 152 -5.241 15.943 -4.478 1.00 0.72 C ATOM 969 OE1 GLU A 152 -4.494 16.061 -5.435 1.00 1.17 O ATOM 970 OE2 GLU A 152 -6.362 16.422 -4.425 1.00 1.40 O ATOM 0 H GLU A 152 -3.389 14.225 -1.065 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.419 12.728 -3.652 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -2.683 15.588 -2.786 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.926 15.063 -4.440 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -5.278 14.199 -3.201 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -4.945 15.695 -2.351 1.00 0.77 H new ATOM 977 N PHE A 153 -0.686 13.591 -2.088 1.00 0.46 N ATOM 978 CA PHE A 153 0.787 13.353 -2.104 1.00 0.46 C ATOM 979 C PHE A 153 1.073 11.856 -2.242 1.00 0.50 C ATOM 980 O PHE A 153 2.159 11.451 -2.609 1.00 0.64 O ATOM 981 CB PHE A 153 1.285 13.872 -0.755 1.00 0.49 C ATOM 982 CG PHE A 153 2.780 13.682 -0.658 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.620 14.215 -1.643 1.00 0.62 C ATOM 984 CD2 PHE A 153 3.327 12.976 0.421 1.00 0.52 C ATOM 985 CE1 PHE A 153 5.007 14.041 -1.550 1.00 0.73 C ATOM 986 CE2 PHE A 153 4.713 12.802 0.513 1.00 0.61 C ATOM 987 CZ PHE A 153 5.553 13.334 -0.472 1.00 0.68 C ATOM 0 H PHE A 153 -1.037 14.082 -1.266 1.00 0.46 H new ATOM 0 HA PHE A 153 1.280 13.851 -2.939 1.00 0.46 H new ATOM 0 HB2 PHE A 153 1.035 14.927 -0.645 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.788 13.341 0.056 1.00 0.49 H new ATOM 0 HD1 PHE A 153 3.199 14.760 -2.475 1.00 0.62 H new ATOM 0 HD2 PHE A 153 2.680 12.566 1.182 1.00 0.52 H new ATOM 0 HE1 PHE A 153 5.655 14.452 -2.310 1.00 0.73 H new ATOM 0 HE2 PHE A 153 5.134 12.257 1.345 1.00 0.61 H new ATOM 0 HZ PHE A 153 6.622 13.199 -0.401 1.00 0.68 H new ATOM 997 N LEU A 154 0.105 11.031 -1.949 1.00 0.53 N ATOM 998 CA LEU A 154 0.316 9.559 -2.061 1.00 0.62 C ATOM 999 C LEU A 154 0.528 9.165 -3.525 1.00 0.65 C ATOM 1000 O LEU A 154 1.483 8.496 -3.865 1.00 0.83 O ATOM 1001 CB LEU A 154 -0.969 8.933 -1.518 1.00 0.75 C ATOM 1002 CG LEU A 154 -0.659 8.162 -0.236 1.00 0.91 C ATOM 1003 CD1 LEU A 154 0.514 7.212 -0.481 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -0.293 9.148 0.876 1.00 1.20 C ATOM 0 H LEU A 154 -0.824 11.313 -1.636 1.00 0.53 H new ATOM 0 HA LEU A 154 1.196 9.225 -1.512 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -1.708 9.709 -1.318 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.402 8.264 -2.261 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.535 7.586 0.062 1.00 0.91 H new ATOM 0 HD11 LEU A 154 0.734 6.662 0.434 1.00 1.65 H new ATOM 0 HD12 LEU A 154 0.254 6.509 -1.273 1.00 1.65 H new ATOM 0 HD13 LEU A 154 1.391 7.786 -0.779 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -0.072 8.599 1.791 1.00 1.20 H new ATOM 0 HD22 LEU A 154 0.583 9.724 0.578 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -1.129 9.824 1.052 1.00 1.20 H new ATOM 1016 N GLU A 155 -0.356 9.574 -4.393 1.00 0.69 N ATOM 1017 CA GLU A 155 -0.202 9.220 -5.833 1.00 0.81 C ATOM 1018 C GLU A 155 1.062 9.869 -6.402 1.00 0.76 C ATOM 1019 O GLU A 155 1.642 9.390 -7.357 1.00 0.90 O ATOM 1020 CB GLU A 155 -1.449 9.782 -6.517 1.00 0.97 C ATOM 1021 CG GLU A 155 -2.542 8.711 -6.546 1.00 1.41 C ATOM 1022 CD GLU A 155 -2.210 7.671 -7.618 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -1.906 8.071 -8.730 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -2.266 6.492 -7.308 1.00 2.57 O ATOM 0 H GLU A 155 -1.177 10.137 -4.169 1.00 0.69 H new ATOM 0 HA GLU A 155 -0.105 8.145 -5.986 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -1.803 10.664 -5.983 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -1.209 10.099 -7.532 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -2.621 8.231 -5.571 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -3.509 9.169 -6.755 1.00 1.41 H new ATOM 1031 N PHE A 156 1.495 10.955 -5.823 1.00 0.66 N ATOM 1032 CA PHE A 156 2.722 11.632 -6.331 1.00 0.77 C ATOM 1033 C PHE A 156 3.873 10.628 -6.436 1.00 0.71 C ATOM 1034 O PHE A 156 4.776 10.786 -7.233 1.00 0.88 O ATOM 1035 CB PHE A 156 3.040 12.707 -5.292 1.00 0.84 C ATOM 1036 CG PHE A 156 4.341 13.387 -5.650 1.00 1.01 C ATOM 1037 CD1 PHE A 156 4.389 14.284 -6.723 1.00 1.09 C ATOM 1038 CD2 PHE A 156 5.497 13.120 -4.907 1.00 1.49 C ATOM 1039 CE1 PHE A 156 5.595 14.915 -7.054 1.00 1.31 C ATOM 1040 CE2 PHE A 156 6.702 13.751 -5.238 1.00 1.72 C ATOM 1041 CZ PHE A 156 6.751 14.649 -6.311 1.00 1.53 C ATOM 0 H PHE A 156 1.053 11.403 -5.020 1.00 0.66 H new ATOM 0 HA PHE A 156 2.579 12.057 -7.325 1.00 0.77 H new ATOM 0 HB2 PHE A 156 2.234 13.439 -5.253 1.00 0.84 H new ATOM 0 HB3 PHE A 156 3.112 12.259 -4.301 1.00 0.84 H new ATOM 0 HD1 PHE A 156 3.497 14.490 -7.296 1.00 1.09 H new ATOM 0 HD2 PHE A 156 5.459 12.428 -4.079 1.00 1.49 H new ATOM 0 HE1 PHE A 156 5.633 15.607 -7.883 1.00 1.31 H new ATOM 0 HE2 PHE A 156 7.594 13.545 -4.665 1.00 1.72 H new ATOM 0 HZ PHE A 156 7.681 15.136 -6.565 1.00 1.53 H new ATOM 1051 N MET A 157 3.846 9.595 -5.638 1.00 0.61 N ATOM 1052 CA MET A 157 4.939 8.582 -5.694 1.00 0.69 C ATOM 1053 C MET A 157 4.511 7.388 -6.552 1.00 0.83 C ATOM 1054 O MET A 157 5.113 7.092 -7.565 1.00 1.17 O ATOM 1055 CB MET A 157 5.154 8.151 -4.242 1.00 0.84 C ATOM 1056 CG MET A 157 5.469 9.380 -3.386 1.00 0.92 C ATOM 1057 SD MET A 157 6.960 10.188 -4.017 1.00 1.56 S ATOM 1058 CE MET A 157 7.987 9.950 -2.546 1.00 0.90 C ATOM 0 H MET A 157 3.116 9.409 -4.951 1.00 0.61 H new ATOM 0 HA MET A 157 5.850 8.981 -6.140 1.00 0.69 H new ATOM 0 HB2 MET A 157 4.262 7.650 -3.864 1.00 0.84 H new ATOM 0 HB3 MET A 157 5.972 7.433 -4.182 1.00 0.84 H new ATOM 0 HG2 MET A 157 4.630 10.075 -3.406 1.00 0.92 H new ATOM 0 HG3 MET A 157 5.614 9.085 -2.347 1.00 0.92 H new ATOM 0 HE1 MET A 157 8.973 10.382 -2.717 1.00 0.90 H new ATOM 0 HE2 MET A 157 7.519 10.441 -1.692 1.00 0.90 H new ATOM 0 HE3 MET A 157 8.088 8.884 -2.341 1.00 0.90 H new ATOM 1068 N LYS A 158 3.475 6.700 -6.156 1.00 0.86 N ATOM 1069 CA LYS A 158 3.011 5.527 -6.953 1.00 1.07 C ATOM 1070 C LYS A 158 4.124 4.480 -7.045 1.00 1.36 C ATOM 1071 O LYS A 158 4.088 3.594 -7.876 1.00 1.73 O ATOM 1072 CB LYS A 158 2.690 6.092 -8.337 1.00 1.28 C ATOM 1073 CG LYS A 158 1.225 5.810 -8.679 1.00 1.66 C ATOM 1074 CD LYS A 158 1.116 4.455 -9.381 1.00 2.24 C ATOM 1075 CE LYS A 158 0.931 4.670 -10.885 1.00 2.85 C ATOM 1076 NZ LYS A 158 2.266 5.108 -11.380 1.00 3.52 N ATOM 0 H LYS A 158 2.930 6.898 -5.317 1.00 0.86 H new ATOM 0 HA LYS A 158 2.148 5.035 -6.504 1.00 1.07 H new ATOM 0 HB2 LYS A 158 2.878 7.165 -8.355 1.00 1.28 H new ATOM 0 HB3 LYS A 158 3.342 5.641 -9.085 1.00 1.28 H new ATOM 0 HG2 LYS A 158 0.622 5.811 -7.771 1.00 1.66 H new ATOM 0 HG3 LYS A 158 0.833 6.597 -9.323 1.00 1.66 H new ATOM 0 HD2 LYS A 158 2.013 3.865 -9.195 1.00 2.24 H new ATOM 0 HD3 LYS A 158 0.275 3.892 -8.978 1.00 2.24 H new ATOM 0 HE2 LYS A 158 0.609 3.753 -11.378 1.00 2.85 H new ATOM 0 HE3 LYS A 158 0.169 5.424 -11.085 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 2.266 5.112 -12.420 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 2.469 6.066 -11.030 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 2.996 4.452 -11.036 1.00 3.52 H new