USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=15 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 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -106:sc= -0.034 (180deg=-1.7!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.425 F(o=-1.5,f=-0.42) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -153:sc= 0.0133 (180deg=0) USER MOD Single : A 120 MET CE :methyl -119:sc= -6.46! (180deg=-11.9!) USER MOD Single : A 122 GLN : amide:sc= -2.01 K(o=-2,f=-5.1!) USER MOD Single : A 124 THR OG1 : rot -55:sc= 0.22 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.0632 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.0903 USER MOD Single : A 137 MET CE :methyl -158:sc= -1.4 (180deg=-3.11!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 156:sc= 1.19 (180deg=0.459) USER MOD Single : A 143 ASN : amide:sc= -0.935 K(o=-0.94,f=-2.2!) USER MOD Single : A 144 ASN : amide:sc= -0.44 K(o=-0.44,f=-2.7!) USER MOD Single : A 150 TYR OH : rot -126:sc= -1.58 USER MOD Single : A 157 MET CE :methyl 147:sc= -0.567 (180deg=-2.54!) USER MOD Single : A 158 LYS NZ :NH3+ -167:sc=-0.00244 (180deg=-0.286) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 92 8.107 5.195 2.346 1.00 1.27 N ATOM 28 CA LYS A 92 7.221 4.289 1.559 1.00 1.47 C ATOM 29 C LYS A 92 5.761 4.469 1.984 1.00 1.40 C ATOM 30 O LYS A 92 5.030 5.252 1.412 1.00 1.56 O ATOM 31 CB LYS A 92 7.705 2.878 1.889 1.00 1.61 C ATOM 32 CG LYS A 92 8.582 2.359 0.748 1.00 1.94 C ATOM 33 CD LYS A 92 9.403 1.165 1.237 1.00 2.31 C ATOM 34 CE LYS A 92 8.499 -0.065 1.354 1.00 2.59 C ATOM 35 NZ LYS A 92 9.282 -1.040 2.162 1.00 3.20 N ATOM 0 HA LYS A 92 7.266 4.497 0.490 1.00 1.47 H new ATOM 0 HB2 LYS A 92 8.269 2.885 2.821 1.00 1.61 H new ATOM 0 HB3 LYS A 92 6.853 2.215 2.037 1.00 1.61 H new ATOM 0 HG2 LYS A 92 7.960 2.064 -0.097 1.00 1.94 H new ATOM 0 HG3 LYS A 92 9.245 3.150 0.396 1.00 1.94 H new ATOM 0 HD2 LYS A 92 10.220 0.964 0.544 1.00 2.31 H new ATOM 0 HD3 LYS A 92 9.853 1.391 2.203 1.00 2.31 H new ATOM 0 HE2 LYS A 92 7.555 0.183 1.840 1.00 2.59 H new ATOM 0 HE3 LYS A 92 8.255 -0.471 0.372 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 8.728 -1.912 2.286 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 10.172 -1.262 1.672 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 9.494 -0.628 3.093 1.00 3.20 H new ATOM 49 N SER A 93 5.331 3.748 2.983 1.00 1.38 N ATOM 50 CA SER A 93 3.918 3.876 3.441 1.00 1.40 C ATOM 51 C SER A 93 3.758 5.112 4.331 1.00 1.20 C ATOM 52 O SER A 93 4.723 5.674 4.809 1.00 1.08 O ATOM 53 CB SER A 93 3.642 2.602 4.237 1.00 1.60 C ATOM 54 OG SER A 93 3.336 1.543 3.338 1.00 2.20 O ATOM 0 H SER A 93 5.896 3.076 3.502 1.00 1.38 H new ATOM 0 HA SER A 93 3.224 3.994 2.609 1.00 1.40 H new ATOM 0 HB2 SER A 93 4.511 2.342 4.841 1.00 1.60 H new ATOM 0 HB3 SER A 93 2.812 2.762 4.925 1.00 1.60 H new ATOM 0 HG SER A 93 3.160 0.723 3.846 1.00 2.20 H new ATOM 60 N GLU A 94 2.546 5.539 4.557 1.00 1.26 N ATOM 61 CA GLU A 94 2.323 6.739 5.415 1.00 1.17 C ATOM 62 C GLU A 94 3.207 6.673 6.664 1.00 1.12 C ATOM 63 O GLU A 94 3.544 7.682 7.251 1.00 1.09 O ATOM 64 CB GLU A 94 0.846 6.677 5.803 1.00 1.33 C ATOM 65 CG GLU A 94 0.054 7.684 4.967 1.00 1.28 C ATOM 66 CD GLU A 94 -1.227 7.026 4.454 1.00 1.44 C ATOM 67 OE1 GLU A 94 -1.123 6.152 3.608 1.00 1.94 O ATOM 68 OE2 GLU A 94 -2.291 7.406 4.915 1.00 2.09 O ATOM 0 H GLU A 94 1.699 5.109 4.185 1.00 1.26 H new ATOM 0 HA GLU A 94 2.573 7.666 4.899 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.459 5.671 5.642 1.00 1.33 H new ATOM 0 HB3 GLU A 94 0.729 6.897 6.864 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -0.190 8.560 5.568 1.00 1.28 H new ATOM 0 HG3 GLU A 94 0.658 8.031 4.129 1.00 1.28 H new ATOM 75 N GLU A 95 3.582 5.493 7.076 1.00 1.19 N ATOM 76 CA GLU A 95 4.441 5.365 8.289 1.00 1.23 C ATOM 77 C GLU A 95 5.543 6.429 8.277 1.00 1.03 C ATOM 78 O GLU A 95 5.555 7.334 9.089 1.00 1.01 O ATOM 79 CB GLU A 95 5.048 3.965 8.196 1.00 1.45 C ATOM 80 CG GLU A 95 4.144 2.966 8.924 1.00 1.90 C ATOM 81 CD GLU A 95 4.883 1.637 9.094 1.00 2.12 C ATOM 82 OE1 GLU A 95 6.015 1.550 8.647 1.00 2.49 O ATOM 83 OE2 GLU A 95 4.304 0.729 9.667 1.00 2.66 O ATOM 0 H GLU A 95 3.331 4.612 6.626 1.00 1.19 H new ATOM 0 HA GLU A 95 3.876 5.506 9.210 1.00 1.23 H new ATOM 0 HB2 GLU A 95 5.161 3.675 7.151 1.00 1.45 H new ATOM 0 HB3 GLU A 95 6.044 3.959 8.638 1.00 1.45 H new ATOM 0 HG2 GLU A 95 3.857 3.362 9.898 1.00 1.90 H new ATOM 0 HG3 GLU A 95 3.224 2.813 8.359 1.00 1.90 H new ATOM 90 N GLU A 96 6.473 6.326 7.367 1.00 1.02 N ATOM 91 CA GLU A 96 7.576 7.328 7.308 1.00 0.94 C ATOM 92 C GLU A 96 7.249 8.427 6.290 1.00 0.79 C ATOM 93 O GLU A 96 7.879 9.465 6.261 1.00 0.82 O ATOM 94 CB GLU A 96 8.804 6.532 6.862 1.00 1.15 C ATOM 95 CG GLU A 96 9.973 6.819 7.808 1.00 1.62 C ATOM 96 CD GLU A 96 10.411 5.520 8.488 1.00 1.99 C ATOM 97 OE1 GLU A 96 10.935 4.661 7.798 1.00 2.18 O ATOM 98 OE2 GLU A 96 10.214 5.407 9.686 1.00 2.78 O ATOM 0 H GLU A 96 6.517 5.591 6.661 1.00 1.02 H new ATOM 0 HA GLU A 96 7.733 7.825 8.265 1.00 0.94 H new ATOM 0 HB2 GLU A 96 8.578 5.466 6.860 1.00 1.15 H new ATOM 0 HB3 GLU A 96 9.074 6.802 5.841 1.00 1.15 H new ATOM 0 HG2 GLU A 96 10.806 7.250 7.253 1.00 1.62 H new ATOM 0 HG3 GLU A 96 9.676 7.552 8.558 1.00 1.62 H new ATOM 105 N LEU A 97 6.270 8.206 5.455 1.00 0.77 N ATOM 106 CA LEU A 97 5.907 9.239 4.441 1.00 0.71 C ATOM 107 C LEU A 97 5.429 10.519 5.133 1.00 0.67 C ATOM 108 O LEU A 97 5.623 11.612 4.640 1.00 0.75 O ATOM 109 CB LEU A 97 4.772 8.614 3.627 1.00 0.80 C ATOM 110 CG LEU A 97 5.034 8.822 2.134 1.00 0.77 C ATOM 111 CD1 LEU A 97 6.434 8.316 1.783 1.00 1.40 C ATOM 112 CD2 LEU A 97 3.996 8.044 1.322 1.00 1.22 C ATOM 0 H LEU A 97 5.706 7.356 5.431 1.00 0.77 H new ATOM 0 HA LEU A 97 6.755 9.516 3.814 1.00 0.71 H new ATOM 0 HB2 LEU A 97 4.696 7.549 3.848 1.00 0.80 H new ATOM 0 HB3 LEU A 97 3.820 9.066 3.906 1.00 0.80 H new ATOM 0 HG LEU A 97 4.962 9.884 1.899 1.00 0.77 H new ATOM 0 HD11 LEU A 97 6.619 8.465 0.719 1.00 1.40 H new ATOM 0 HD12 LEU A 97 7.176 8.868 2.361 1.00 1.40 H new ATOM 0 HD13 LEU A 97 6.507 7.254 2.019 1.00 1.40 H new ATOM 0 HD21 LEU A 97 4.181 8.191 0.258 1.00 1.22 H new ATOM 0 HD22 LEU A 97 4.069 6.983 1.560 1.00 1.22 H new ATOM 0 HD23 LEU A 97 2.997 8.403 1.569 1.00 1.22 H new ATOM 124 N SER A 98 4.803 10.391 6.270 1.00 0.69 N ATOM 125 CA SER A 98 4.311 11.600 6.991 1.00 0.76 C ATOM 126 C SER A 98 5.474 12.547 7.299 1.00 0.72 C ATOM 127 O SER A 98 5.284 13.727 7.518 1.00 0.77 O ATOM 128 CB SER A 98 3.695 11.067 8.284 1.00 0.92 C ATOM 129 OG SER A 98 3.077 12.138 8.985 1.00 1.57 O ATOM 0 H SER A 98 4.611 9.502 6.732 1.00 0.69 H new ATOM 0 HA SER A 98 3.592 12.167 6.400 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.961 10.293 8.059 1.00 0.92 H new ATOM 0 HB3 SER A 98 4.464 10.607 8.904 1.00 0.92 H new ATOM 0 HG SER A 98 2.679 11.800 9.814 1.00 1.57 H new ATOM 135 N ASP A 99 6.677 12.042 7.320 1.00 0.80 N ATOM 136 CA ASP A 99 7.848 12.917 7.617 1.00 0.86 C ATOM 137 C ASP A 99 8.323 13.621 6.342 1.00 0.81 C ATOM 138 O ASP A 99 9.183 14.478 6.379 1.00 0.91 O ATOM 139 CB ASP A 99 8.928 11.970 8.142 1.00 1.02 C ATOM 140 CG ASP A 99 9.685 12.645 9.287 1.00 1.23 C ATOM 141 OD1 ASP A 99 10.467 13.540 9.008 1.00 1.83 O ATOM 142 OD2 ASP A 99 9.471 12.257 10.423 1.00 1.79 O ATOM 0 H ASP A 99 6.900 11.062 7.145 1.00 0.80 H new ATOM 0 HA ASP A 99 7.606 13.698 8.337 1.00 0.86 H new ATOM 0 HB2 ASP A 99 8.475 11.041 8.489 1.00 1.02 H new ATOM 0 HB3 ASP A 99 9.618 11.708 7.340 1.00 1.02 H new ATOM 147 N LEU A 100 7.770 13.266 5.214 1.00 0.75 N ATOM 148 CA LEU A 100 8.194 13.917 3.941 1.00 0.76 C ATOM 149 C LEU A 100 7.239 15.060 3.586 1.00 0.68 C ATOM 150 O LEU A 100 7.655 16.175 3.341 1.00 0.79 O ATOM 151 CB LEU A 100 8.120 12.812 2.886 1.00 0.86 C ATOM 152 CG LEU A 100 9.089 11.685 3.250 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.260 10.752 2.050 1.00 1.41 C ATOM 154 CD2 LEU A 100 10.448 12.279 3.628 1.00 1.41 C ATOM 0 H LEU A 100 7.045 12.555 5.119 1.00 0.75 H new ATOM 0 HA LEU A 100 9.193 14.348 4.012 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.103 12.424 2.823 1.00 0.86 H new ATOM 0 HB3 LEU A 100 8.369 13.216 1.905 1.00 0.86 H new ATOM 0 HG LEU A 100 8.690 11.124 4.095 1.00 0.79 H new ATOM 0 HD11 LEU A 100 9.950 9.949 2.309 1.00 1.41 H new ATOM 0 HD12 LEU A 100 8.294 10.327 1.779 1.00 1.41 H new ATOM 0 HD13 LEU A 100 9.658 11.315 1.206 1.00 1.41 H new ATOM 0 HD21 LEU A 100 11.137 11.475 3.887 1.00 1.41 H new ATOM 0 HD22 LEU A 100 10.847 12.841 2.784 1.00 1.41 H new ATOM 0 HD23 LEU A 100 10.329 12.945 4.483 1.00 1.41 H new ATOM 166 N PHE A 101 5.963 14.790 3.552 1.00 0.60 N ATOM 167 CA PHE A 101 4.982 15.860 3.209 1.00 0.59 C ATOM 168 C PHE A 101 5.213 17.100 4.080 1.00 0.60 C ATOM 169 O PHE A 101 5.016 18.218 3.648 1.00 0.72 O ATOM 170 CB PHE A 101 3.613 15.245 3.504 1.00 0.61 C ATOM 171 CG PHE A 101 2.564 15.921 2.656 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.451 15.606 1.297 1.00 0.68 C ATOM 173 CD2 PHE A 101 1.703 16.863 3.229 1.00 0.86 C ATOM 174 CE1 PHE A 101 1.477 16.233 0.511 1.00 0.73 C ATOM 175 CE2 PHE A 101 0.729 17.491 2.444 1.00 0.90 C ATOM 176 CZ PHE A 101 0.616 17.176 1.085 1.00 0.69 C ATOM 0 H PHE A 101 5.557 13.875 3.747 1.00 0.60 H new ATOM 0 HA PHE A 101 5.073 16.185 2.172 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.631 14.175 3.295 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.371 15.360 4.561 1.00 0.61 H new ATOM 0 HD1 PHE A 101 3.116 14.879 0.854 1.00 0.68 H new ATOM 0 HD2 PHE A 101 1.790 17.106 4.278 1.00 0.86 H new ATOM 0 HE1 PHE A 101 1.390 15.989 -0.538 1.00 0.73 H new ATOM 0 HE2 PHE A 101 0.065 18.218 2.887 1.00 0.90 H new ATOM 0 HZ PHE A 101 -0.135 17.660 0.479 1.00 0.69 H new ATOM 186 N ARG A 102 5.625 16.911 5.304 1.00 0.67 N ATOM 187 CA ARG A 102 5.863 18.080 6.201 1.00 0.76 C ATOM 188 C ARG A 102 7.295 18.597 6.037 1.00 0.68 C ATOM 189 O ARG A 102 7.664 19.613 6.591 1.00 0.78 O ATOM 190 CB ARG A 102 5.646 17.543 7.616 1.00 0.99 C ATOM 191 CG ARG A 102 6.730 16.513 7.942 1.00 1.30 C ATOM 192 CD ARG A 102 6.726 16.225 9.445 1.00 1.45 C ATOM 193 NE ARG A 102 5.302 15.944 9.777 1.00 2.12 N ATOM 194 CZ ARG A 102 4.891 16.010 11.015 1.00 2.71 C ATOM 195 NH1 ARG A 102 5.729 16.318 11.969 1.00 3.07 N ATOM 196 NH2 ARG A 102 3.641 15.768 11.300 1.00 3.37 N ATOM 0 H ARG A 102 5.807 15.999 5.722 1.00 0.67 H new ATOM 0 HA ARG A 102 5.199 18.914 5.973 1.00 0.76 H new ATOM 0 HB2 ARG A 102 5.678 18.361 8.336 1.00 0.99 H new ATOM 0 HB3 ARG A 102 4.659 17.086 7.696 1.00 0.99 H new ATOM 0 HG2 ARG A 102 6.552 15.593 7.384 1.00 1.30 H new ATOM 0 HG3 ARG A 102 7.707 16.888 7.635 1.00 1.30 H new ATOM 0 HD2 ARG A 102 7.363 15.374 9.686 1.00 1.45 H new ATOM 0 HD3 ARG A 102 7.103 17.076 10.012 1.00 1.45 H new ATOM 0 HE ARG A 102 4.646 15.699 9.036 1.00 2.12 H new ATOM 0 HH11 ARG A 102 6.706 16.508 11.748 1.00 3.07 H new ATOM 0 HH12 ARG A 102 5.406 16.369 12.935 1.00 3.07 H new ATOM 0 HH21 ARG A 102 2.986 15.527 10.556 1.00 3.37 H new ATOM 0 HH22 ARG A 102 3.319 15.819 12.267 1.00 3.37 H new ATOM 210 N MET A 103 8.105 17.904 5.285 1.00 0.71 N ATOM 211 CA MET A 103 9.512 18.358 5.094 1.00 0.75 C ATOM 212 C MET A 103 9.641 19.178 3.808 1.00 0.68 C ATOM 213 O MET A 103 10.155 20.279 3.811 1.00 0.83 O ATOM 214 CB MET A 103 10.331 17.071 4.993 1.00 0.93 C ATOM 215 CG MET A 103 11.577 17.188 5.872 1.00 1.27 C ATOM 216 SD MET A 103 11.584 15.848 7.090 1.00 1.82 S ATOM 217 CE MET A 103 10.552 16.664 8.332 1.00 2.43 C ATOM 0 H MET A 103 7.855 17.045 4.795 1.00 0.71 H new ATOM 0 HA MET A 103 9.851 18.998 5.909 1.00 0.75 H new ATOM 0 HB2 MET A 103 9.729 16.219 5.309 1.00 0.93 H new ATOM 0 HB3 MET A 103 10.619 16.891 3.957 1.00 0.93 H new ATOM 0 HG2 MET A 103 12.475 17.139 5.257 1.00 1.27 H new ATOM 0 HG3 MET A 103 11.589 18.154 6.378 1.00 1.27 H new ATOM 0 HE1 MET A 103 11.174 16.985 9.168 1.00 2.43 H new ATOM 0 HE2 MET A 103 10.065 17.532 7.887 1.00 2.43 H new ATOM 0 HE3 MET A 103 9.794 15.967 8.690 1.00 2.43 H new ATOM 227 N PHE A 104 9.183 18.649 2.707 1.00 0.68 N ATOM 228 CA PHE A 104 9.284 19.396 1.420 1.00 0.79 C ATOM 229 C PHE A 104 8.607 20.765 1.542 1.00 0.71 C ATOM 230 O PHE A 104 9.095 21.755 1.034 1.00 0.88 O ATOM 231 CB PHE A 104 8.555 18.522 0.399 1.00 0.94 C ATOM 232 CG PHE A 104 9.105 17.116 0.458 1.00 1.31 C ATOM 233 CD1 PHE A 104 10.433 16.899 0.846 1.00 1.26 C ATOM 234 CD2 PHE A 104 8.286 16.031 0.126 1.00 2.03 C ATOM 235 CE1 PHE A 104 10.941 15.596 0.903 1.00 1.86 C ATOM 236 CE2 PHE A 104 8.794 14.728 0.182 1.00 2.65 C ATOM 237 CZ PHE A 104 10.122 14.510 0.571 1.00 2.56 C ATOM 0 H PHE A 104 8.743 17.731 2.642 1.00 0.68 H new ATOM 0 HA PHE A 104 10.318 19.584 1.132 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.485 18.515 0.608 1.00 0.94 H new ATOM 0 HB3 PHE A 104 8.681 18.932 -0.603 1.00 0.94 H new ATOM 0 HD1 PHE A 104 11.065 17.737 1.101 1.00 1.26 H new ATOM 0 HD2 PHE A 104 7.262 16.199 -0.173 1.00 2.03 H new ATOM 0 HE1 PHE A 104 11.965 15.428 1.203 1.00 1.86 H new ATOM 0 HE2 PHE A 104 8.162 13.891 -0.075 1.00 2.65 H new ATOM 0 HZ PHE A 104 10.514 13.505 0.615 1.00 2.56 H new ATOM 247 N ASP A 105 7.488 20.831 2.210 1.00 0.61 N ATOM 248 CA ASP A 105 6.787 22.139 2.358 1.00 0.60 C ATOM 249 C ASP A 105 7.763 23.209 2.855 1.00 0.56 C ATOM 250 O ASP A 105 7.937 23.402 4.042 1.00 0.63 O ATOM 251 CB ASP A 105 5.692 21.890 3.396 1.00 0.68 C ATOM 252 CG ASP A 105 4.677 23.035 3.354 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.582 23.680 2.322 1.00 0.84 O ATOM 254 OD2 ASP A 105 4.012 23.247 4.355 1.00 1.45 O ATOM 0 H ASP A 105 7.029 20.038 2.659 1.00 0.61 H new ATOM 0 HA ASP A 105 6.378 22.496 1.413 1.00 0.60 H new ATOM 0 HB2 ASP A 105 5.194 20.941 3.194 1.00 0.68 H new ATOM 0 HB3 ASP A 105 6.130 21.815 4.391 1.00 0.68 H new ATOM 259 N LYS A 106 8.399 23.908 1.955 1.00 0.59 N ATOM 260 CA LYS A 106 9.361 24.966 2.378 1.00 0.66 C ATOM 261 C LYS A 106 8.618 26.276 2.649 1.00 0.55 C ATOM 262 O LYS A 106 9.108 27.149 3.337 1.00 0.63 O ATOM 263 CB LYS A 106 10.316 25.128 1.196 1.00 0.87 C ATOM 264 CG LYS A 106 11.730 24.731 1.626 1.00 1.21 C ATOM 265 CD LYS A 106 12.365 23.858 0.541 1.00 1.61 C ATOM 266 CE LYS A 106 13.444 22.969 1.165 1.00 1.77 C ATOM 267 NZ LYS A 106 13.010 21.575 0.873 1.00 2.14 N ATOM 0 H LYS A 106 8.295 23.793 0.947 1.00 0.59 H new ATOM 0 HA LYS A 106 9.888 24.703 3.295 1.00 0.66 H new ATOM 0 HB2 LYS A 106 9.989 24.506 0.363 1.00 0.87 H new ATOM 0 HB3 LYS A 106 10.307 26.160 0.846 1.00 0.87 H new ATOM 0 HG2 LYS A 106 12.335 25.622 1.792 1.00 1.21 H new ATOM 0 HG3 LYS A 106 11.696 24.189 2.571 1.00 1.21 H new ATOM 0 HD2 LYS A 106 11.603 23.242 0.063 1.00 1.61 H new ATOM 0 HD3 LYS A 106 12.801 24.486 -0.236 1.00 1.61 H new ATOM 0 HE2 LYS A 106 14.424 23.176 0.734 1.00 1.77 H new ATOM 0 HE3 LYS A 106 13.525 23.141 2.238 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 13.700 20.906 1.270 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 12.078 21.405 1.301 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 12.948 21.439 -0.156 1.00 2.14 H new ATOM 281 N ASN A 107 7.437 26.417 2.113 1.00 0.48 N ATOM 282 CA ASN A 107 6.659 27.668 2.337 1.00 0.50 C ATOM 283 C ASN A 107 5.945 27.614 3.690 1.00 0.58 C ATOM 284 O ASN A 107 5.281 28.551 4.089 1.00 0.70 O ATOM 285 CB ASN A 107 5.638 27.707 1.199 1.00 0.54 C ATOM 286 CG ASN A 107 4.649 28.850 1.438 1.00 0.70 C ATOM 287 OD1 ASN A 107 3.508 28.600 2.020 1.00 1.00 O flip ATOM 288 ND2 ASN A 107 4.918 29.982 1.091 1.00 0.78 N flip ATOM 0 H ASN A 107 6.977 25.719 1.529 1.00 0.48 H new ATOM 0 HA ASN A 107 7.296 28.552 2.348 1.00 0.50 H new ATOM 0 HB2 ASN A 107 6.146 27.846 0.245 1.00 0.54 H new ATOM 0 HB3 ASN A 107 5.106 26.758 1.141 1.00 0.54 H new ATOM 0 HD21 ASN A 107 5.810 30.178 0.636 1.00 0.78 H new ATOM 0 HD22 ASN A 107 4.252 30.737 1.254 1.00 0.78 H new ATOM 295 N ALA A 108 6.070 26.525 4.397 1.00 0.65 N ATOM 296 CA ALA A 108 5.388 26.418 5.719 1.00 0.84 C ATOM 297 C ALA A 108 3.896 26.714 5.555 1.00 0.78 C ATOM 298 O ALA A 108 3.462 27.844 5.658 1.00 0.96 O ATOM 299 CB ALA A 108 6.056 27.476 6.597 1.00 1.03 C ATOM 0 H ALA A 108 6.612 25.707 4.119 1.00 0.65 H new ATOM 0 HA ALA A 108 5.472 25.423 6.155 1.00 0.84 H new ATOM 0 HB1 ALA A 108 5.608 27.460 7.590 1.00 1.03 H new ATOM 0 HB2 ALA A 108 7.122 27.263 6.676 1.00 1.03 H new ATOM 0 HB3 ALA A 108 5.915 28.461 6.151 1.00 1.03 H new ATOM 305 N ASP A 109 3.109 25.708 5.290 1.00 0.73 N ATOM 306 CA ASP A 109 1.647 25.932 5.108 1.00 0.74 C ATOM 307 C ASP A 109 0.893 24.601 5.233 1.00 0.78 C ATOM 308 O ASP A 109 -0.205 24.545 5.752 1.00 0.96 O ATOM 309 CB ASP A 109 1.528 26.525 3.694 1.00 0.72 C ATOM 310 CG ASP A 109 0.217 26.090 3.029 1.00 1.15 C ATOM 311 OD1 ASP A 109 -0.796 26.081 3.709 1.00 1.95 O ATOM 312 OD2 ASP A 109 0.253 25.773 1.851 1.00 1.66 O ATOM 0 H ASP A 109 3.415 24.740 5.192 1.00 0.73 H new ATOM 0 HA ASP A 109 1.215 26.594 5.858 1.00 0.74 H new ATOM 0 HB2 ASP A 109 1.571 27.613 3.746 1.00 0.72 H new ATOM 0 HB3 ASP A 109 2.374 26.202 3.087 1.00 0.72 H new ATOM 317 N GLY A 110 1.474 23.529 4.766 1.00 0.76 N ATOM 318 CA GLY A 110 0.791 22.208 4.863 1.00 0.85 C ATOM 319 C GLY A 110 0.499 21.672 3.460 1.00 0.70 C ATOM 320 O GLY A 110 0.007 20.573 3.296 1.00 0.73 O ATOM 0 H GLY A 110 2.392 23.511 4.322 1.00 0.76 H new ATOM 0 HA2 GLY A 110 1.418 21.503 5.408 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -0.138 22.309 5.425 1.00 0.85 H new ATOM 324 N TYR A 111 0.798 22.436 2.444 1.00 0.68 N ATOM 325 CA TYR A 111 0.534 21.962 1.054 1.00 0.60 C ATOM 326 C TYR A 111 1.708 22.317 0.137 1.00 0.58 C ATOM 327 O TYR A 111 2.190 23.431 0.134 1.00 0.83 O ATOM 328 CB TYR A 111 -0.725 22.707 0.610 1.00 0.68 C ATOM 329 CG TYR A 111 -1.849 22.432 1.580 1.00 0.68 C ATOM 330 CD1 TYR A 111 -2.011 23.240 2.711 1.00 0.71 C ATOM 331 CD2 TYR A 111 -2.732 21.371 1.345 1.00 0.78 C ATOM 332 CE1 TYR A 111 -3.056 22.987 3.609 1.00 0.78 C ATOM 333 CE2 TYR A 111 -3.777 21.118 2.242 1.00 0.83 C ATOM 334 CZ TYR A 111 -3.939 21.926 3.374 1.00 0.80 C ATOM 335 OH TYR A 111 -4.969 21.677 4.258 1.00 0.90 O ATOM 0 H TYR A 111 1.212 23.365 2.515 1.00 0.68 H new ATOM 0 HA TYR A 111 0.409 20.880 1.010 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -0.527 23.778 0.562 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.012 22.390 -0.393 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -1.330 24.059 2.892 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -2.607 20.748 0.472 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -3.181 23.610 4.482 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -4.458 20.300 2.061 1.00 0.83 H new ATOM 0 HH TYR A 111 -5.489 20.907 3.946 1.00 0.90 H new ATOM 345 N ILE A 112 2.166 21.380 -0.648 1.00 0.50 N ATOM 346 CA ILE A 112 3.302 21.671 -1.570 1.00 0.50 C ATOM 347 C ILE A 112 2.775 22.276 -2.874 1.00 0.49 C ATOM 348 O ILE A 112 2.140 21.607 -3.666 1.00 0.66 O ATOM 349 CB ILE A 112 3.957 20.316 -1.835 1.00 0.50 C ATOM 350 CG1 ILE A 112 4.692 19.852 -0.576 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.954 20.447 -2.986 1.00 0.58 C ATOM 352 CD1 ILE A 112 5.151 18.404 -0.757 1.00 0.66 C ATOM 0 H ILE A 112 1.804 20.427 -0.691 1.00 0.50 H new ATOM 0 HA ILE A 112 4.007 22.386 -1.146 1.00 0.50 H new ATOM 0 HB ILE A 112 3.191 19.588 -2.100 1.00 0.50 H new ATOM 0 HG12 ILE A 112 5.551 20.496 -0.385 1.00 0.62 H new ATOM 0 HG13 ILE A 112 4.036 19.931 0.291 1.00 0.62 H new ATOM 0 HG21 ILE A 112 5.421 19.480 -3.175 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.432 20.779 -3.883 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.721 21.175 -2.722 1.00 0.58 H new ATOM 0 HD11 ILE A 112 5.675 18.073 0.140 1.00 0.66 H new ATOM 0 HD12 ILE A 112 4.284 17.766 -0.927 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.822 18.339 -1.613 1.00 0.66 H new ATOM 364 N ASP A 113 3.026 23.536 -3.103 1.00 0.47 N ATOM 365 CA ASP A 113 2.531 24.178 -4.354 1.00 0.50 C ATOM 366 C ASP A 113 3.543 23.991 -5.488 1.00 0.50 C ATOM 367 O ASP A 113 4.675 23.608 -5.268 1.00 0.57 O ATOM 368 CB ASP A 113 2.381 25.659 -4.006 1.00 0.60 C ATOM 369 CG ASP A 113 1.102 25.864 -3.192 1.00 1.17 C ATOM 370 OD1 ASP A 113 0.792 25.002 -2.386 1.00 1.85 O ATOM 371 OD2 ASP A 113 0.453 26.879 -3.388 1.00 1.77 O ATOM 0 H ASP A 113 3.552 24.148 -2.479 1.00 0.47 H new ATOM 0 HA ASP A 113 1.593 23.742 -4.696 1.00 0.50 H new ATOM 0 HB2 ASP A 113 3.246 25.999 -3.436 1.00 0.60 H new ATOM 0 HB3 ASP A 113 2.345 26.256 -4.917 1.00 0.60 H new ATOM 376 N LEU A 114 3.142 24.257 -6.701 1.00 0.52 N ATOM 377 CA LEU A 114 4.077 24.095 -7.853 1.00 0.57 C ATOM 378 C LEU A 114 5.407 24.795 -7.562 1.00 0.63 C ATOM 379 O LEU A 114 6.469 24.241 -7.764 1.00 0.80 O ATOM 380 CB LEU A 114 3.372 24.765 -9.034 1.00 0.62 C ATOM 381 CG LEU A 114 2.209 23.890 -9.503 1.00 0.61 C ATOM 382 CD1 LEU A 114 0.998 24.772 -9.811 1.00 0.91 C ATOM 383 CD2 LEU A 114 2.620 23.133 -10.768 1.00 0.81 C ATOM 0 H LEU A 114 2.206 24.580 -6.945 1.00 0.52 H new ATOM 0 HA LEU A 114 4.305 23.048 -8.051 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.005 25.748 -8.741 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.077 24.919 -9.851 1.00 0.62 H new ATOM 0 HG LEU A 114 1.951 23.178 -8.719 1.00 0.61 H new ATOM 0 HD11 LEU A 114 0.169 24.148 -10.145 1.00 0.91 H new ATOM 0 HD12 LEU A 114 0.705 25.314 -8.912 1.00 0.91 H new ATOM 0 HD13 LEU A 114 1.256 25.483 -10.596 1.00 0.91 H new ATOM 0 HD21 LEU A 114 1.792 22.509 -11.104 1.00 0.81 H new ATOM 0 HD22 LEU A 114 2.878 23.846 -11.551 1.00 0.81 H new ATOM 0 HD23 LEU A 114 3.484 22.504 -10.551 1.00 0.81 H new ATOM 395 N ASP A 115 5.357 26.014 -7.097 1.00 0.61 N ATOM 396 CA ASP A 115 6.618 26.755 -6.803 1.00 0.71 C ATOM 397 C ASP A 115 7.438 26.027 -5.733 1.00 0.65 C ATOM 398 O ASP A 115 8.646 26.141 -5.682 1.00 0.89 O ATOM 399 CB ASP A 115 6.162 28.120 -6.288 1.00 0.80 C ATOM 400 CG ASP A 115 7.332 29.104 -6.347 1.00 1.17 C ATOM 401 OD1 ASP A 115 8.325 28.853 -5.684 1.00 1.76 O ATOM 402 OD2 ASP A 115 7.215 30.091 -7.055 1.00 1.76 O ATOM 0 H ASP A 115 4.497 26.529 -6.908 1.00 0.61 H new ATOM 0 HA ASP A 115 7.256 26.838 -7.683 1.00 0.71 H new ATOM 0 HB2 ASP A 115 5.332 28.489 -6.890 1.00 0.80 H new ATOM 0 HB3 ASP A 115 5.799 28.032 -5.264 1.00 0.80 H new ATOM 407 N GLU A 116 6.793 25.287 -4.873 1.00 0.51 N ATOM 408 CA GLU A 116 7.543 24.563 -3.805 1.00 0.48 C ATOM 409 C GLU A 116 7.943 23.163 -4.281 1.00 0.49 C ATOM 410 O GLU A 116 8.674 22.458 -3.615 1.00 0.63 O ATOM 411 CB GLU A 116 6.569 24.474 -2.630 1.00 0.48 C ATOM 412 CG GLU A 116 6.022 25.867 -2.313 1.00 0.57 C ATOM 413 CD GLU A 116 5.042 25.777 -1.142 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.122 24.810 -0.401 1.00 1.19 O ATOM 415 OE2 GLU A 116 4.228 26.675 -1.005 1.00 1.36 O ATOM 0 H GLU A 116 5.782 25.152 -4.863 1.00 0.51 H new ATOM 0 HA GLU A 116 8.466 25.075 -3.534 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.750 23.797 -2.873 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.074 24.062 -1.756 1.00 0.48 H new ATOM 0 HG2 GLU A 116 6.840 26.543 -2.065 1.00 0.57 H new ATOM 0 HG3 GLU A 116 5.522 26.281 -3.189 1.00 0.57 H new ATOM 422 N LEU A 117 7.472 22.754 -5.427 1.00 0.48 N ATOM 423 CA LEU A 117 7.831 21.398 -5.936 1.00 0.52 C ATOM 424 C LEU A 117 9.237 21.417 -6.544 1.00 0.58 C ATOM 425 O LEU A 117 10.080 20.609 -6.207 1.00 0.69 O ATOM 426 CB LEU A 117 6.786 21.086 -7.007 1.00 0.55 C ATOM 427 CG LEU A 117 5.522 20.538 -6.343 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.389 20.483 -7.369 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.794 19.130 -5.810 1.00 0.53 C ATOM 0 H LEU A 117 6.856 23.297 -6.032 1.00 0.48 H new ATOM 0 HA LEU A 117 7.838 20.648 -5.145 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.550 21.987 -7.574 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.182 20.358 -7.715 1.00 0.55 H new ATOM 0 HG LEU A 117 5.235 21.190 -5.518 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.488 20.092 -6.896 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.194 21.486 -7.749 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.677 19.832 -8.194 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.893 18.740 -5.337 1.00 0.53 H new ATOM 0 HD22 LEU A 117 6.082 18.478 -6.635 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.601 19.168 -5.078 1.00 0.53 H new ATOM 441 N LYS A 118 9.495 22.333 -7.437 1.00 0.59 N ATOM 442 CA LYS A 118 10.846 22.402 -8.065 1.00 0.69 C ATOM 443 C LYS A 118 11.919 22.609 -6.992 1.00 0.64 C ATOM 444 O LYS A 118 13.018 22.102 -7.095 1.00 0.73 O ATOM 445 CB LYS A 118 10.787 23.607 -9.003 1.00 0.83 C ATOM 446 CG LYS A 118 10.661 24.890 -8.179 1.00 0.99 C ATOM 447 CD LYS A 118 10.707 26.103 -9.110 1.00 1.35 C ATOM 448 CE LYS A 118 9.683 27.142 -8.647 1.00 1.51 C ATOM 449 NZ LYS A 118 10.492 28.261 -8.089 1.00 1.99 N ATOM 0 H LYS A 118 8.830 23.036 -7.759 1.00 0.59 H new ATOM 0 HA LYS A 118 11.101 21.485 -8.596 1.00 0.69 H new ATOM 0 HB2 LYS A 118 11.685 23.645 -9.620 1.00 0.83 H new ATOM 0 HB3 LYS A 118 9.938 23.513 -9.681 1.00 0.83 H new ATOM 0 HG2 LYS A 118 9.726 24.884 -7.618 1.00 0.99 H new ATOM 0 HG3 LYS A 118 11.469 24.947 -7.450 1.00 0.99 H new ATOM 0 HD2 LYS A 118 11.707 26.537 -9.110 1.00 1.35 H new ATOM 0 HD3 LYS A 118 10.493 25.797 -10.134 1.00 1.35 H new ATOM 0 HE2 LYS A 118 9.062 27.480 -9.476 1.00 1.51 H new ATOM 0 HE3 LYS A 118 9.012 26.727 -7.895 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 9.935 28.768 -7.372 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 11.356 27.881 -7.652 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 10.751 28.917 -8.853 1.00 1.99 H new ATOM 463 N ILE A 119 11.610 23.351 -5.964 1.00 0.68 N ATOM 464 CA ILE A 119 12.615 23.589 -4.889 1.00 0.74 C ATOM 465 C ILE A 119 12.814 22.314 -4.064 1.00 0.75 C ATOM 466 O ILE A 119 13.880 22.063 -3.538 1.00 0.85 O ATOM 467 CB ILE A 119 12.019 24.708 -4.032 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.227 26.049 -4.740 1.00 1.22 C ATOM 469 CG2 ILE A 119 12.713 24.740 -2.668 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.418 27.136 -4.031 1.00 1.06 C ATOM 0 H ILE A 119 10.706 23.802 -5.822 1.00 0.68 H new ATOM 0 HA ILE A 119 13.593 23.862 -5.285 1.00 0.74 H new ATOM 0 HB ILE A 119 10.954 24.528 -3.889 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.285 26.311 -4.740 1.00 1.22 H new ATOM 0 HG13 ILE A 119 11.917 25.973 -5.782 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.286 25.538 -2.061 1.00 1.08 H new ATOM 0 HG22 ILE A 119 12.569 23.784 -2.164 1.00 1.08 H new ATOM 0 HG23 ILE A 119 13.779 24.920 -2.806 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.568 28.090 -4.537 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.360 26.875 -4.054 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.749 27.219 -2.996 1.00 1.06 H new ATOM 482 N MET A 120 11.798 21.504 -3.951 1.00 0.85 N ATOM 483 CA MET A 120 11.933 20.244 -3.166 1.00 1.01 C ATOM 484 C MET A 120 12.897 19.290 -3.876 1.00 0.95 C ATOM 485 O MET A 120 13.856 18.817 -3.299 1.00 1.11 O ATOM 486 CB MET A 120 10.523 19.652 -3.122 1.00 1.17 C ATOM 487 CG MET A 120 10.578 18.233 -2.552 1.00 1.52 C ATOM 488 SD MET A 120 9.630 17.119 -3.620 1.00 1.88 S ATOM 489 CE MET A 120 9.704 15.659 -2.553 1.00 1.43 C ATOM 0 H MET A 120 10.880 21.660 -4.368 1.00 0.85 H new ATOM 0 HA MET A 120 12.331 20.415 -2.166 1.00 1.01 H new ATOM 0 HB2 MET A 120 9.875 20.277 -2.507 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.093 19.636 -4.124 1.00 1.17 H new ATOM 0 HG2 MET A 120 11.612 17.896 -2.484 1.00 1.52 H new ATOM 0 HG3 MET A 120 10.171 18.219 -1.541 1.00 1.52 H new ATOM 0 HE1 MET A 120 10.213 14.850 -3.078 1.00 1.43 H new ATOM 0 HE2 MET A 120 10.251 15.902 -1.642 1.00 1.43 H new ATOM 0 HE3 MET A 120 8.692 15.345 -2.296 1.00 1.43 H new ATOM 499 N LEU A 121 12.650 19.006 -5.125 1.00 0.87 N ATOM 500 CA LEU A 121 13.551 18.084 -5.873 1.00 0.95 C ATOM 501 C LEU A 121 14.952 18.691 -5.992 1.00 0.87 C ATOM 502 O LEU A 121 15.920 17.999 -6.238 1.00 0.97 O ATOM 503 CB LEU A 121 12.912 17.942 -7.254 1.00 1.09 C ATOM 504 CG LEU A 121 12.155 16.616 -7.337 1.00 1.41 C ATOM 505 CD1 LEU A 121 13.092 15.467 -6.960 1.00 2.03 C ATOM 506 CD2 LEU A 121 10.970 16.645 -6.369 1.00 1.80 C ATOM 0 H LEU A 121 11.863 19.373 -5.660 1.00 0.87 H new ATOM 0 HA LEU A 121 13.663 17.122 -5.373 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.231 18.773 -7.437 1.00 1.09 H new ATOM 0 HB3 LEU A 121 13.680 17.983 -8.027 1.00 1.09 H new ATOM 0 HG LEU A 121 11.792 16.469 -8.354 1.00 1.41 H new ATOM 0 HD11 LEU A 121 12.552 14.522 -7.019 1.00 2.03 H new ATOM 0 HD12 LEU A 121 13.937 15.446 -7.648 1.00 2.03 H new ATOM 0 HD13 LEU A 121 13.456 15.613 -5.943 1.00 2.03 H new ATOM 0 HD21 LEU A 121 10.429 15.700 -6.427 1.00 1.80 H new ATOM 0 HD22 LEU A 121 11.334 16.793 -5.352 1.00 1.80 H new ATOM 0 HD23 LEU A 121 10.301 17.463 -6.637 1.00 1.80 H new ATOM 518 N GLN A 122 15.068 19.980 -5.823 1.00 0.82 N ATOM 519 CA GLN A 122 16.407 20.629 -5.929 1.00 0.95 C ATOM 520 C GLN A 122 17.463 19.784 -5.209 1.00 1.04 C ATOM 521 O GLN A 122 18.624 19.788 -5.567 1.00 1.19 O ATOM 522 CB GLN A 122 16.245 21.987 -5.246 1.00 1.14 C ATOM 523 CG GLN A 122 17.354 22.932 -5.713 1.00 1.42 C ATOM 524 CD GLN A 122 18.655 22.600 -4.978 1.00 1.85 C ATOM 525 OE1 GLN A 122 18.634 21.985 -3.930 1.00 2.44 O ATOM 526 NE2 GLN A 122 19.794 22.985 -5.486 1.00 2.28 N ATOM 0 H GLN A 122 14.294 20.612 -5.616 1.00 0.82 H new ATOM 0 HA GLN A 122 16.736 20.732 -6.963 1.00 0.95 H new ATOM 0 HB2 GLN A 122 15.269 22.410 -5.483 1.00 1.14 H new ATOM 0 HB3 GLN A 122 16.287 21.868 -4.163 1.00 1.14 H new ATOM 0 HG2 GLN A 122 17.498 22.836 -6.789 1.00 1.42 H new ATOM 0 HG3 GLN A 122 17.069 23.966 -5.520 1.00 1.42 H new ATOM 0 HE21 GLN A 122 19.812 23.501 -6.366 1.00 2.28 H new ATOM 0 HE22 GLN A 122 20.666 22.770 -5.003 1.00 2.28 H new ATOM 535 N ALA A 123 17.069 19.061 -4.197 1.00 1.09 N ATOM 536 CA ALA A 123 18.050 18.218 -3.455 1.00 1.33 C ATOM 537 C ALA A 123 18.859 17.358 -4.430 1.00 1.38 C ATOM 538 O ALA A 123 20.017 17.067 -4.203 1.00 1.62 O ATOM 539 CB ALA A 123 17.201 17.336 -2.539 1.00 1.45 C ATOM 0 H ALA A 123 16.110 19.017 -3.851 1.00 1.09 H new ATOM 0 HA ALA A 123 18.767 18.818 -2.895 1.00 1.33 H new ATOM 0 HB1 ALA A 123 17.852 16.684 -1.957 1.00 1.45 H new ATOM 0 HB2 ALA A 123 16.620 17.965 -1.864 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.525 16.730 -3.142 1.00 1.45 H new ATOM 545 N THR A 124 18.259 16.946 -5.514 1.00 1.29 N ATOM 546 CA THR A 124 18.997 16.103 -6.500 1.00 1.47 C ATOM 547 C THR A 124 19.502 16.962 -7.662 1.00 1.44 C ATOM 548 O THR A 124 19.766 16.471 -8.741 1.00 1.72 O ATOM 549 CB THR A 124 17.970 15.082 -6.991 1.00 1.56 C ATOM 550 OG1 THR A 124 16.895 15.762 -7.625 1.00 2.16 O ATOM 551 CG2 THR A 124 17.440 14.281 -5.802 1.00 1.92 C ATOM 0 H THR A 124 17.292 17.156 -5.760 1.00 1.29 H new ATOM 0 HA THR A 124 19.872 15.623 -6.061 1.00 1.47 H new ATOM 0 HB THR A 124 18.440 14.404 -7.703 1.00 1.56 H new ATOM 0 HG1 THR A 124 16.525 16.432 -7.013 1.00 2.16 H new ATOM 0 HG21 THR A 124 16.708 13.553 -6.151 1.00 1.92 H new ATOM 0 HG22 THR A 124 18.266 13.761 -5.317 1.00 1.92 H new ATOM 0 HG23 THR A 124 16.968 14.957 -5.089 1.00 1.92 H new ATOM 559 N GLY A 125 19.640 18.242 -7.449 1.00 1.26 N ATOM 560 CA GLY A 125 20.130 19.131 -8.541 1.00 1.32 C ATOM 561 C GLY A 125 19.146 19.099 -9.711 1.00 1.26 C ATOM 562 O GLY A 125 19.530 19.193 -10.859 1.00 1.63 O ATOM 0 H GLY A 125 19.435 18.711 -6.567 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.238 20.151 -8.172 1.00 1.32 H new ATOM 0 HA3 GLY A 125 21.116 18.806 -8.873 1.00 1.32 H new ATOM 566 N GLU A 126 17.879 18.969 -9.431 1.00 1.02 N ATOM 567 CA GLU A 126 16.876 18.936 -10.532 1.00 1.08 C ATOM 568 C GLU A 126 17.084 20.131 -11.466 1.00 0.89 C ATOM 569 O GLU A 126 16.564 21.205 -11.239 1.00 0.87 O ATOM 570 CB GLU A 126 15.518 19.031 -9.835 1.00 1.34 C ATOM 571 CG GLU A 126 15.437 20.344 -9.054 1.00 1.45 C ATOM 572 CD GLU A 126 14.464 21.296 -9.753 1.00 1.61 C ATOM 573 OE1 GLU A 126 13.465 20.819 -10.265 1.00 2.09 O ATOM 574 OE2 GLU A 126 14.735 22.485 -9.764 1.00 2.16 O ATOM 0 H GLU A 126 17.495 18.884 -8.490 1.00 1.02 H new ATOM 0 HA GLU A 126 16.958 18.036 -11.141 1.00 1.08 H new ATOM 0 HB2 GLU A 126 14.715 18.983 -10.571 1.00 1.34 H new ATOM 0 HB3 GLU A 126 15.383 18.185 -9.161 1.00 1.34 H new ATOM 0 HG2 GLU A 126 15.105 20.152 -8.034 1.00 1.45 H new ATOM 0 HG3 GLU A 126 16.424 20.801 -8.987 1.00 1.45 H new ATOM 581 N THR A 127 17.838 19.955 -12.517 1.00 1.09 N ATOM 582 CA THR A 127 18.071 21.085 -13.459 1.00 1.21 C ATOM 583 C THR A 127 17.249 20.878 -14.731 1.00 1.29 C ATOM 584 O THR A 127 17.677 20.224 -15.662 1.00 1.60 O ATOM 585 CB THR A 127 19.568 21.038 -13.772 1.00 1.57 C ATOM 586 OG1 THR A 127 20.039 19.706 -13.618 1.00 1.91 O ATOM 587 CG2 THR A 127 20.321 21.962 -12.815 1.00 2.18 C ATOM 0 H THR A 127 18.301 19.080 -12.763 1.00 1.09 H new ATOM 0 HA THR A 127 17.776 22.046 -13.039 1.00 1.21 H new ATOM 0 HB THR A 127 19.737 21.368 -14.797 1.00 1.57 H new ATOM 0 HG1 THR A 127 20.998 19.673 -13.819 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.387 21.927 -13.039 1.00 2.18 H new ATOM 0 HG22 THR A 127 19.958 22.983 -12.934 1.00 2.18 H new ATOM 0 HG23 THR A 127 20.155 21.636 -11.788 1.00 2.18 H new ATOM 595 N ILE A 128 16.071 21.433 -14.776 1.00 1.08 N ATOM 596 CA ILE A 128 15.214 21.274 -15.983 1.00 1.20 C ATOM 597 C ILE A 128 14.550 22.608 -16.332 1.00 1.18 C ATOM 598 O ILE A 128 14.615 23.559 -15.578 1.00 1.15 O ATOM 599 CB ILE A 128 14.167 20.236 -15.584 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.259 20.822 -14.500 1.00 1.32 C ATOM 601 CG2 ILE A 128 14.865 18.987 -15.045 1.00 1.62 C ATOM 602 CD1 ILE A 128 12.139 19.832 -14.179 1.00 2.03 C ATOM 0 H ILE A 128 15.663 21.992 -14.026 1.00 1.08 H new ATOM 0 HA ILE A 128 15.780 20.963 -16.861 1.00 1.20 H new ATOM 0 HB ILE A 128 13.569 19.968 -16.455 1.00 1.12 H new ATOM 0 HG12 ILE A 128 13.839 21.035 -13.602 1.00 1.32 H new ATOM 0 HG13 ILE A 128 12.836 21.768 -14.838 1.00 1.32 H new ATOM 0 HG21 ILE A 128 14.117 18.247 -14.760 1.00 1.62 H new ATOM 0 HG22 ILE A 128 15.513 18.571 -15.816 1.00 1.62 H new ATOM 0 HG23 ILE A 128 15.463 19.252 -14.173 1.00 1.62 H new ATOM 0 HD11 ILE A 128 11.493 20.251 -13.407 1.00 2.03 H new ATOM 0 HD12 ILE A 128 11.553 19.642 -15.078 1.00 2.03 H new ATOM 0 HD13 ILE A 128 12.571 18.897 -13.823 1.00 2.03 H new ATOM 614 N THR A 129 13.905 22.688 -17.463 1.00 1.34 N ATOM 615 CA THR A 129 13.235 23.964 -17.845 1.00 1.42 C ATOM 616 C THR A 129 11.961 24.151 -17.018 1.00 1.16 C ATOM 617 O THR A 129 11.342 23.197 -16.591 1.00 0.97 O ATOM 618 CB THR A 129 12.896 23.813 -19.329 1.00 1.64 C ATOM 619 OG1 THR A 129 13.745 22.834 -19.910 1.00 2.23 O ATOM 620 CG2 THR A 129 13.098 25.154 -20.037 1.00 2.28 C ATOM 0 H THR A 129 13.813 21.928 -18.137 1.00 1.34 H new ATOM 0 HA THR A 129 13.867 24.834 -17.664 1.00 1.42 H new ATOM 0 HB THR A 129 11.857 23.501 -19.436 1.00 1.64 H new ATOM 0 HG1 THR A 129 13.528 22.735 -20.860 1.00 2.23 H new ATOM 0 HG21 THR A 129 12.857 25.047 -21.095 1.00 2.28 H new ATOM 0 HG22 THR A 129 12.445 25.904 -19.590 1.00 2.28 H new ATOM 0 HG23 THR A 129 14.136 25.468 -19.932 1.00 2.28 H new ATOM 628 N GLU A 130 11.566 25.372 -16.785 1.00 1.31 N ATOM 629 CA GLU A 130 10.333 25.614 -15.981 1.00 1.28 C ATOM 630 C GLU A 130 9.136 24.899 -16.614 1.00 1.16 C ATOM 631 O GLU A 130 8.191 24.537 -15.941 1.00 1.21 O ATOM 632 CB GLU A 130 10.132 27.130 -16.010 1.00 1.69 C ATOM 633 CG GLU A 130 9.957 27.599 -17.456 1.00 2.05 C ATOM 634 CD GLU A 130 9.226 28.942 -17.472 1.00 2.43 C ATOM 635 OE1 GLU A 130 9.279 29.635 -16.469 1.00 3.03 O ATOM 636 OE2 GLU A 130 8.624 29.255 -18.486 1.00 2.70 O ATOM 0 H GLU A 130 12.042 26.212 -17.115 1.00 1.31 H new ATOM 0 HA GLU A 130 10.424 25.235 -14.963 1.00 1.28 H new ATOM 0 HB2 GLU A 130 9.256 27.402 -15.421 1.00 1.69 H new ATOM 0 HB3 GLU A 130 10.989 27.629 -15.557 1.00 1.69 H new ATOM 0 HG2 GLU A 130 10.930 27.697 -17.938 1.00 2.05 H new ATOM 0 HG3 GLU A 130 9.393 26.859 -18.024 1.00 2.05 H new ATOM 643 N ASP A 131 9.166 24.693 -17.903 1.00 1.18 N ATOM 644 CA ASP A 131 8.025 24.004 -18.573 1.00 1.19 C ATOM 645 C ASP A 131 8.009 22.518 -18.204 1.00 1.07 C ATOM 646 O ASP A 131 7.040 21.822 -18.437 1.00 1.14 O ATOM 647 CB ASP A 131 8.276 24.183 -20.071 1.00 1.44 C ATOM 648 CG ASP A 131 7.345 23.257 -20.856 1.00 1.48 C ATOM 649 OD1 ASP A 131 7.612 22.066 -20.882 1.00 2.07 O ATOM 650 OD2 ASP A 131 6.382 23.753 -21.416 1.00 1.91 O ATOM 0 H ASP A 131 9.929 24.971 -18.520 1.00 1.18 H new ATOM 0 HA ASP A 131 7.062 24.415 -18.270 1.00 1.19 H new ATOM 0 HB2 ASP A 131 8.103 25.220 -20.359 1.00 1.44 H new ATOM 0 HB3 ASP A 131 9.316 23.956 -20.306 1.00 1.44 H new ATOM 655 N ASP A 132 9.072 22.025 -17.630 1.00 1.00 N ATOM 656 CA ASP A 132 9.112 20.583 -17.249 1.00 1.03 C ATOM 657 C ASP A 132 8.643 20.403 -15.803 1.00 0.88 C ATOM 658 O ASP A 132 8.401 19.300 -15.353 1.00 1.03 O ATOM 659 CB ASP A 132 10.579 20.174 -17.392 1.00 1.13 C ATOM 660 CG ASP A 132 10.812 19.590 -18.787 1.00 1.39 C ATOM 661 OD1 ASP A 132 10.376 20.206 -19.745 1.00 1.99 O ATOM 662 OD2 ASP A 132 11.422 18.537 -18.873 1.00 1.79 O ATOM 0 H ASP A 132 9.914 22.557 -17.408 1.00 1.00 H new ATOM 0 HA ASP A 132 8.457 19.974 -17.872 1.00 1.03 H new ATOM 0 HB2 ASP A 132 11.225 21.038 -17.235 1.00 1.13 H new ATOM 0 HB3 ASP A 132 10.839 19.439 -16.630 1.00 1.13 H new ATOM 667 N ILE A 133 8.515 21.476 -15.071 1.00 0.75 N ATOM 668 CA ILE A 133 8.062 21.362 -13.655 1.00 0.77 C ATOM 669 C ILE A 133 6.573 21.008 -13.600 1.00 0.70 C ATOM 670 O ILE A 133 6.160 20.130 -12.868 1.00 0.82 O ATOM 671 CB ILE A 133 8.310 22.743 -13.048 1.00 0.87 C ATOM 672 CG1 ILE A 133 9.776 23.135 -13.255 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.000 22.706 -11.551 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.664 22.283 -12.346 1.00 1.00 C ATOM 0 H ILE A 133 8.704 22.426 -15.392 1.00 0.75 H new ATOM 0 HA ILE A 133 8.592 20.578 -13.114 1.00 0.77 H new ATOM 0 HB ILE A 133 7.665 23.475 -13.535 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.059 22.990 -14.298 1.00 0.96 H new ATOM 0 HG13 ILE A 133 9.916 24.192 -13.031 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.177 23.691 -11.118 1.00 1.06 H new ATOM 0 HG22 ILE A 133 6.957 22.426 -11.402 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.645 21.975 -11.064 1.00 1.06 H new ATOM 0 HD11 ILE A 133 11.708 22.561 -12.493 1.00 1.00 H new ATOM 0 HD12 ILE A 133 10.386 22.451 -11.305 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.531 21.229 -12.592 1.00 1.00 H new ATOM 686 N GLU A 134 5.763 21.683 -14.370 1.00 0.61 N ATOM 687 CA GLU A 134 4.301 21.382 -14.361 1.00 0.64 C ATOM 688 C GLU A 134 4.065 19.894 -14.635 1.00 0.64 C ATOM 689 O GLU A 134 3.020 19.355 -14.332 1.00 0.76 O ATOM 690 CB GLU A 134 3.713 22.234 -15.488 1.00 0.73 C ATOM 691 CG GLU A 134 3.807 23.715 -15.113 1.00 0.89 C ATOM 692 CD GLU A 134 2.715 24.498 -15.846 1.00 1.21 C ATOM 693 OE1 GLU A 134 1.900 23.868 -16.499 1.00 1.87 O ATOM 694 OE2 GLU A 134 2.714 25.713 -15.741 1.00 1.86 O ATOM 0 H GLU A 134 6.049 22.429 -15.004 1.00 0.61 H new ATOM 0 HA GLU A 134 3.840 21.605 -13.399 1.00 0.64 H new ATOM 0 HB2 GLU A 134 4.252 22.049 -16.417 1.00 0.73 H new ATOM 0 HB3 GLU A 134 2.673 21.958 -15.662 1.00 0.73 H new ATOM 0 HG2 GLU A 134 3.695 23.836 -14.036 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.789 24.106 -15.377 1.00 0.89 H new ATOM 701 N GLU A 135 5.030 19.226 -15.207 1.00 0.59 N ATOM 702 CA GLU A 135 4.863 17.773 -15.502 1.00 0.67 C ATOM 703 C GLU A 135 4.748 16.975 -14.199 1.00 0.74 C ATOM 704 O GLU A 135 4.055 15.980 -14.129 1.00 0.91 O ATOM 705 CB GLU A 135 6.130 17.377 -16.262 1.00 0.72 C ATOM 706 CG GLU A 135 5.754 16.840 -17.645 1.00 1.16 C ATOM 707 CD GLU A 135 6.358 15.447 -17.834 1.00 1.56 C ATOM 708 OE1 GLU A 135 6.441 14.721 -16.857 1.00 2.03 O ATOM 709 OE2 GLU A 135 6.727 15.130 -18.953 1.00 2.29 O ATOM 0 H GLU A 135 5.928 19.624 -15.483 1.00 0.59 H new ATOM 0 HA GLU A 135 3.960 17.570 -16.077 1.00 0.67 H new ATOM 0 HB2 GLU A 135 6.790 18.239 -16.363 1.00 0.72 H new ATOM 0 HB3 GLU A 135 6.679 16.619 -15.704 1.00 0.72 H new ATOM 0 HG2 GLU A 135 4.670 16.795 -17.747 1.00 1.16 H new ATOM 0 HG3 GLU A 135 6.119 17.514 -18.420 1.00 1.16 H new ATOM 716 N LEU A 136 5.425 17.402 -13.169 1.00 0.73 N ATOM 717 CA LEU A 136 5.357 16.664 -11.874 1.00 0.87 C ATOM 718 C LEU A 136 4.081 17.034 -11.112 1.00 0.81 C ATOM 719 O LEU A 136 3.733 16.411 -10.129 1.00 1.00 O ATOM 720 CB LEU A 136 6.597 17.113 -11.100 1.00 0.99 C ATOM 721 CG LEU A 136 7.832 16.418 -11.675 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.837 17.468 -12.150 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.478 15.549 -10.595 1.00 1.75 C ATOM 0 H LEU A 136 6.022 18.229 -13.167 1.00 0.73 H new ATOM 0 HA LEU A 136 5.332 15.584 -12.016 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.710 18.195 -11.168 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.488 16.870 -10.043 1.00 0.99 H new ATOM 0 HG LEU A 136 7.535 15.793 -12.517 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.716 16.971 -12.559 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.379 18.088 -12.921 1.00 1.74 H new ATOM 0 HD13 LEU A 136 9.133 18.095 -11.309 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.358 15.054 -11.005 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.773 16.175 -9.753 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.764 14.798 -10.257 1.00 1.75 H new ATOM 735 N MET A 137 3.381 18.042 -11.555 1.00 0.67 N ATOM 736 CA MET A 137 2.130 18.445 -10.849 1.00 0.71 C ATOM 737 C MET A 137 0.991 17.477 -11.186 1.00 0.68 C ATOM 738 O MET A 137 0.303 16.990 -10.311 1.00 0.70 O ATOM 739 CB MET A 137 1.814 19.849 -11.366 1.00 0.82 C ATOM 740 CG MET A 137 0.908 20.571 -10.366 1.00 0.99 C ATOM 741 SD MET A 137 1.743 20.687 -8.763 1.00 0.94 S ATOM 742 CE MET A 137 0.351 21.370 -7.830 1.00 0.53 C ATOM 0 H MET A 137 3.619 18.603 -12.373 1.00 0.67 H new ATOM 0 HA MET A 137 2.247 18.428 -9.765 1.00 0.71 H new ATOM 0 HB2 MET A 137 2.737 20.412 -11.508 1.00 0.82 H new ATOM 0 HB3 MET A 137 1.324 19.788 -12.338 1.00 0.82 H new ATOM 0 HG2 MET A 137 0.665 21.568 -10.734 1.00 0.99 H new ATOM 0 HG3 MET A 137 -0.034 20.033 -10.259 1.00 0.99 H new ATOM 0 HE1 MET A 137 0.724 21.880 -6.941 1.00 0.53 H new ATOM 0 HE2 MET A 137 -0.192 22.079 -8.454 1.00 0.53 H new ATOM 0 HE3 MET A 137 -0.318 20.563 -7.532 1.00 0.53 H new ATOM 752 N LYS A 138 0.785 17.194 -12.443 1.00 0.76 N ATOM 753 CA LYS A 138 -0.312 16.258 -12.823 1.00 0.82 C ATOM 754 C LYS A 138 -0.170 14.941 -12.054 1.00 0.72 C ATOM 755 O LYS A 138 -1.145 14.335 -11.657 1.00 0.84 O ATOM 756 CB LYS A 138 -0.142 16.026 -14.324 1.00 0.99 C ATOM 757 CG LYS A 138 1.111 15.186 -14.575 1.00 1.57 C ATOM 758 CD LYS A 138 1.508 15.290 -16.049 1.00 2.09 C ATOM 759 CE LYS A 138 1.501 13.896 -16.680 1.00 2.74 C ATOM 760 NZ LYS A 138 0.533 13.988 -17.808 1.00 3.43 N ATOM 0 H LYS A 138 1.327 17.569 -13.222 1.00 0.76 H new ATOM 0 HA LYS A 138 -1.297 16.661 -12.587 1.00 0.82 H new ATOM 0 HB2 LYS A 138 -1.019 15.518 -14.725 1.00 0.99 H new ATOM 0 HB3 LYS A 138 -0.062 16.981 -14.843 1.00 0.99 H new ATOM 0 HG2 LYS A 138 1.928 15.533 -13.942 1.00 1.57 H new ATOM 0 HG3 LYS A 138 0.923 14.145 -14.310 1.00 1.57 H new ATOM 0 HD2 LYS A 138 0.814 15.944 -16.578 1.00 2.09 H new ATOM 0 HD3 LYS A 138 2.498 15.736 -16.139 1.00 2.09 H new ATOM 0 HE2 LYS A 138 2.494 13.618 -17.034 1.00 2.74 H new ATOM 0 HE3 LYS A 138 1.196 13.138 -15.959 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 0.474 13.069 -18.290 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 -0.405 14.247 -17.440 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 0.853 14.712 -18.482 1.00 3.43 H new ATOM 774 N ASP A 139 1.038 14.496 -11.838 1.00 0.75 N ATOM 775 CA ASP A 139 1.239 13.221 -11.091 1.00 0.78 C ATOM 776 C ASP A 139 1.093 13.468 -9.587 1.00 0.70 C ATOM 777 O ASP A 139 0.430 12.728 -8.887 1.00 0.81 O ATOM 778 CB ASP A 139 2.665 12.784 -11.427 1.00 0.97 C ATOM 779 CG ASP A 139 2.880 11.343 -10.963 1.00 1.16 C ATOM 780 OD1 ASP A 139 2.257 10.956 -9.988 1.00 1.69 O ATOM 781 OD2 ASP A 139 3.664 10.650 -11.591 1.00 1.66 O ATOM 0 H ASP A 139 1.893 14.959 -12.146 1.00 0.75 H new ATOM 0 HA ASP A 139 0.507 12.460 -11.363 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.837 12.861 -12.501 1.00 0.97 H new ATOM 0 HB3 ASP A 139 3.383 13.445 -10.941 1.00 0.97 H new ATOM 786 N GLY A 140 1.703 14.508 -9.087 1.00 0.64 N ATOM 787 CA GLY A 140 1.596 14.807 -7.632 1.00 0.62 C ATOM 788 C GLY A 140 0.157 15.205 -7.302 1.00 0.57 C ATOM 789 O GLY A 140 -0.354 14.906 -6.242 1.00 0.65 O ATOM 0 H GLY A 140 2.271 15.163 -9.624 1.00 0.64 H new ATOM 0 HA2 GLY A 140 1.887 13.934 -7.047 1.00 0.62 H new ATOM 0 HA3 GLY A 140 2.279 15.613 -7.364 1.00 0.62 H new ATOM 793 N ASP A 141 -0.500 15.877 -8.208 1.00 0.56 N ATOM 794 CA ASP A 141 -1.908 16.295 -7.955 1.00 0.56 C ATOM 795 C ASP A 141 -2.719 16.219 -9.251 1.00 0.58 C ATOM 796 O ASP A 141 -2.605 17.065 -10.116 1.00 0.64 O ATOM 797 CB ASP A 141 -1.812 17.740 -7.467 1.00 0.60 C ATOM 798 CG ASP A 141 -3.135 18.150 -6.819 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.945 17.273 -6.567 1.00 1.23 O ATOM 800 OD2 ASP A 141 -3.317 19.334 -6.586 1.00 1.14 O ATOM 0 H ASP A 141 -0.122 16.155 -9.114 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.406 15.653 -7.228 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.998 17.839 -6.749 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.583 18.402 -8.302 1.00 0.60 H new ATOM 805 N LYS A 142 -3.534 15.210 -9.396 1.00 0.62 N ATOM 806 CA LYS A 142 -4.347 15.083 -10.640 1.00 0.70 C ATOM 807 C LYS A 142 -5.462 16.133 -10.654 1.00 0.79 C ATOM 808 O LYS A 142 -6.123 16.335 -11.652 1.00 0.92 O ATOM 809 CB LYS A 142 -4.936 13.673 -10.586 1.00 0.79 C ATOM 810 CG LYS A 142 -4.263 12.797 -11.646 1.00 0.88 C ATOM 811 CD LYS A 142 -3.451 11.697 -10.960 1.00 1.37 C ATOM 812 CE LYS A 142 -4.384 10.557 -10.545 1.00 1.79 C ATOM 813 NZ LYS A 142 -3.579 9.316 -10.723 1.00 2.44 N ATOM 0 H LYS A 142 -3.672 14.469 -8.709 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.753 15.241 -11.540 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.787 13.243 -9.596 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -6.012 13.710 -10.759 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -5.016 12.355 -12.298 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -3.613 13.405 -12.276 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -2.681 11.324 -11.635 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -2.940 12.099 -10.085 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -4.711 10.671 -9.511 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -5.282 10.537 -11.163 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -3.956 8.566 -10.109 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -3.630 9.009 -11.715 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -2.588 9.505 -10.469 1.00 2.44 H new ATOM 827 N ASN A 143 -5.674 16.804 -9.554 1.00 0.80 N ATOM 828 CA ASN A 143 -6.746 17.840 -9.510 1.00 0.95 C ATOM 829 C ASN A 143 -6.246 19.144 -10.137 1.00 0.92 C ATOM 830 O ASN A 143 -7.017 19.938 -10.639 1.00 1.08 O ATOM 831 CB ASN A 143 -7.046 18.039 -8.024 1.00 1.07 C ATOM 832 CG ASN A 143 -8.208 19.021 -7.865 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.967 19.237 -8.789 1.00 1.95 O ATOM 834 ND2 ASN A 143 -8.381 19.630 -6.724 1.00 1.70 N ATOM 0 H ASN A 143 -5.153 16.680 -8.686 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.634 17.540 -10.067 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -7.297 17.084 -7.562 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -6.162 18.419 -7.511 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -9.153 20.287 -6.608 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -7.744 19.449 -5.948 1.00 1.70 H new ATOM 841 N ASN A 144 -4.961 19.371 -10.113 1.00 0.86 N ATOM 842 CA ASN A 144 -4.413 20.624 -10.709 1.00 0.93 C ATOM 843 C ASN A 144 -5.120 21.847 -10.117 1.00 1.03 C ATOM 844 O ASN A 144 -5.571 22.721 -10.831 1.00 1.71 O ATOM 845 CB ASN A 144 -4.700 20.510 -12.206 1.00 1.08 C ATOM 846 CG ASN A 144 -4.005 21.654 -12.947 1.00 1.49 C ATOM 847 OD1 ASN A 144 -3.249 22.402 -12.360 1.00 2.18 O ATOM 848 ND2 ASN A 144 -4.231 21.822 -14.221 1.00 1.97 N ATOM 0 H ASN A 144 -4.267 18.744 -9.707 1.00 0.86 H new ATOM 0 HA ASN A 144 -3.349 20.745 -10.507 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -4.346 19.550 -12.583 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -5.775 20.546 -12.385 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -3.773 22.582 -14.724 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -4.866 21.194 -14.714 1.00 1.97 H new ATOM 855 N ASP A 145 -5.217 21.916 -8.817 1.00 0.88 N ATOM 856 CA ASP A 145 -5.891 23.084 -8.180 1.00 0.92 C ATOM 857 C ASP A 145 -4.848 24.072 -7.652 1.00 0.91 C ATOM 858 O ASP A 145 -5.173 25.047 -7.004 1.00 1.07 O ATOM 859 CB ASP A 145 -6.702 22.492 -7.027 1.00 0.93 C ATOM 860 CG ASP A 145 -5.749 21.965 -5.953 1.00 1.40 C ATOM 861 OD1 ASP A 145 -4.624 21.640 -6.295 1.00 2.06 O ATOM 862 OD2 ASP A 145 -6.159 21.896 -4.806 1.00 1.89 O ATOM 0 H ASP A 145 -4.859 21.215 -8.169 1.00 0.88 H new ATOM 0 HA ASP A 145 -6.520 23.632 -8.881 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -7.360 23.251 -6.604 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.338 21.685 -7.392 1.00 0.93 H new ATOM 867 N GLY A 146 -3.595 23.825 -7.922 1.00 0.84 N ATOM 868 CA GLY A 146 -2.531 24.749 -7.435 1.00 0.92 C ATOM 869 C GLY A 146 -2.151 24.381 -6.000 1.00 0.66 C ATOM 870 O GLY A 146 -1.550 25.161 -5.287 1.00 0.74 O ATOM 0 H GLY A 146 -3.262 23.024 -8.458 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -1.656 24.685 -8.082 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -2.883 25.780 -7.476 1.00 0.92 H new ATOM 874 N ARG A 147 -2.495 23.198 -5.569 1.00 0.56 N ATOM 875 CA ARG A 147 -2.152 22.782 -4.178 1.00 0.54 C ATOM 876 C ARG A 147 -2.070 21.255 -4.088 1.00 0.46 C ATOM 877 O ARG A 147 -2.972 20.551 -4.497 1.00 0.45 O ATOM 878 CB ARG A 147 -3.297 23.309 -3.313 1.00 0.77 C ATOM 879 CG ARG A 147 -2.773 24.402 -2.379 1.00 1.39 C ATOM 880 CD ARG A 147 -3.766 25.566 -2.342 1.00 1.79 C ATOM 881 NE ARG A 147 -4.887 25.088 -1.486 1.00 2.55 N ATOM 882 CZ ARG A 147 -5.800 25.925 -1.071 1.00 2.87 C ATOM 883 NH1 ARG A 147 -5.732 27.187 -1.399 1.00 3.10 N ATOM 884 NH2 ARG A 147 -6.783 25.499 -0.326 1.00 3.37 N ATOM 0 H ARG A 147 -2.998 22.502 -6.119 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.186 23.172 -3.857 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -4.091 23.707 -3.945 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -3.730 22.496 -2.731 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -2.631 24.000 -1.376 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -1.800 24.752 -2.723 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -3.307 26.463 -1.927 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -4.114 25.820 -3.343 1.00 1.79 H new ATOM 0 HE ARG A 147 -4.942 24.104 -1.223 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -4.964 27.522 -1.981 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -6.447 27.838 -1.073 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -6.838 24.514 -0.068 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -7.497 26.151 -0.001 1.00 3.37 H new ATOM 898 N ILE A 148 -0.996 20.739 -3.555 1.00 0.49 N ATOM 899 CA ILE A 148 -0.861 19.258 -3.438 1.00 0.44 C ATOM 900 C ILE A 148 -1.138 18.816 -1.999 1.00 0.46 C ATOM 901 O ILE A 148 -0.379 19.104 -1.094 1.00 0.63 O ATOM 902 CB ILE A 148 0.588 18.958 -3.822 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.877 19.534 -5.210 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.809 17.444 -3.843 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.310 19.186 -5.619 1.00 0.63 C ATOM 0 H ILE A 148 -0.207 21.277 -3.196 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.568 18.727 -4.076 1.00 0.44 H new ATOM 0 HB ILE A 148 1.258 19.412 -3.092 1.00 0.46 H new ATOM 0 HG12 ILE A 148 0.172 19.131 -5.937 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.742 20.616 -5.202 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.842 17.231 -4.117 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.603 17.033 -2.855 1.00 0.47 H new ATOM 0 HG23 ILE A 148 0.139 16.989 -4.572 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.516 19.596 -6.608 1.00 0.63 H new ATOM 0 HD12 ILE A 148 3.008 19.611 -4.897 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.428 18.103 -5.644 1.00 0.63 H new ATOM 917 N ASP A 149 -2.220 18.122 -1.780 1.00 0.48 N ATOM 918 CA ASP A 149 -2.546 17.665 -0.398 1.00 0.53 C ATOM 919 C ASP A 149 -1.990 16.259 -0.159 1.00 0.53 C ATOM 920 O ASP A 149 -1.379 15.666 -1.026 1.00 0.63 O ATOM 921 CB ASP A 149 -4.074 17.657 -0.335 1.00 0.58 C ATOM 922 CG ASP A 149 -4.604 19.057 -0.649 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.156 19.633 -1.628 1.00 1.65 O ATOM 924 OD2 ASP A 149 -5.449 19.530 0.094 1.00 1.84 O ATOM 0 H ASP A 149 -2.893 17.851 -2.497 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.110 18.310 0.364 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.474 16.936 -1.048 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.406 17.344 0.655 1.00 0.58 H new ATOM 929 N TYR A 150 -2.197 15.722 1.012 1.00 0.58 N ATOM 930 CA TYR A 150 -1.680 14.355 1.309 1.00 0.60 C ATOM 931 C TYR A 150 -2.498 13.303 0.556 1.00 0.59 C ATOM 932 O TYR A 150 -1.958 12.423 -0.084 1.00 0.63 O ATOM 933 CB TYR A 150 -1.851 14.187 2.819 1.00 0.73 C ATOM 934 CG TYR A 150 -0.713 13.359 3.366 1.00 0.72 C ATOM 935 CD1 TYR A 150 -0.092 12.402 2.556 1.00 1.22 C ATOM 936 CD2 TYR A 150 -0.280 13.549 4.684 1.00 1.15 C ATOM 937 CE1 TYR A 150 0.963 11.634 3.062 1.00 1.56 C ATOM 938 CE2 TYR A 150 0.776 12.781 5.190 1.00 1.43 C ATOM 939 CZ TYR A 150 1.397 11.824 4.380 1.00 1.48 C ATOM 940 OH TYR A 150 2.438 11.068 4.879 1.00 1.96 O ATOM 0 H TYR A 150 -2.702 16.170 1.777 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.642 14.230 0.999 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -1.871 15.163 3.304 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -2.804 13.704 3.036 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -0.427 12.256 1.540 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -0.760 14.287 5.310 1.00 1.15 H new ATOM 0 HE1 TYR A 150 1.442 10.895 2.437 1.00 1.56 H new ATOM 0 HE2 TYR A 150 1.111 12.927 6.206 1.00 1.43 H new ATOM 0 HH TYR A 150 2.156 10.630 5.709 1.00 1.96 H new ATOM 950 N ASP A 151 -3.798 13.386 0.629 1.00 0.64 N ATOM 951 CA ASP A 151 -4.651 12.390 -0.079 1.00 0.70 C ATOM 952 C ASP A 151 -4.211 12.255 -1.540 1.00 0.63 C ATOM 953 O ASP A 151 -4.388 11.223 -2.157 1.00 0.77 O ATOM 954 CB ASP A 151 -6.069 12.955 0.005 1.00 0.79 C ATOM 955 CG ASP A 151 -7.062 11.928 -0.543 1.00 1.24 C ATOM 956 OD1 ASP A 151 -7.022 10.796 -0.091 1.00 1.83 O ATOM 957 OD2 ASP A 151 -7.845 12.292 -1.404 1.00 1.90 O ATOM 0 H ASP A 151 -4.307 14.101 1.149 1.00 0.64 H new ATOM 0 HA ASP A 151 -4.580 11.397 0.364 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.314 13.198 1.039 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.137 13.882 -0.565 1.00 0.79 H new ATOM 962 N GLU A 152 -3.641 13.287 -2.100 1.00 0.54 N ATOM 963 CA GLU A 152 -3.194 13.211 -3.521 1.00 0.56 C ATOM 964 C GLU A 152 -1.753 12.696 -3.598 1.00 0.52 C ATOM 965 O GLU A 152 -1.386 11.988 -4.515 1.00 0.65 O ATOM 966 CB GLU A 152 -3.282 14.646 -4.043 1.00 0.60 C ATOM 967 CG GLU A 152 -4.751 15.057 -4.167 1.00 0.77 C ATOM 968 CD GLU A 152 -4.852 16.583 -4.214 1.00 0.72 C ATOM 969 OE1 GLU A 152 -3.816 17.226 -4.220 1.00 1.40 O ATOM 970 OE2 GLU A 152 -5.965 17.081 -4.243 1.00 1.17 O ATOM 0 H GLU A 152 -3.465 14.178 -1.636 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.805 12.527 -4.109 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -2.760 15.323 -3.366 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.789 14.722 -5.012 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -5.186 14.625 -5.069 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.320 14.670 -3.322 1.00 0.77 H new ATOM 977 N PHE A 153 -0.934 13.045 -2.644 1.00 0.46 N ATOM 978 CA PHE A 153 0.481 12.573 -2.667 1.00 0.46 C ATOM 979 C PHE A 153 0.528 11.053 -2.845 1.00 0.50 C ATOM 980 O PHE A 153 1.481 10.508 -3.365 1.00 0.64 O ATOM 981 CB PHE A 153 1.056 12.969 -1.307 1.00 0.49 C ATOM 982 CG PHE A 153 2.553 12.762 -1.312 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.365 13.538 -2.150 1.00 0.52 C ATOM 984 CD2 PHE A 153 3.130 11.794 -0.480 1.00 0.62 C ATOM 985 CE1 PHE A 153 4.752 13.346 -2.154 1.00 0.61 C ATOM 986 CE2 PHE A 153 4.517 11.603 -0.486 1.00 0.73 C ATOM 987 CZ PHE A 153 5.328 12.379 -1.323 1.00 0.68 C ATOM 0 H PHE A 153 -1.182 13.636 -1.850 1.00 0.46 H new ATOM 0 HA PHE A 153 1.047 13.009 -3.491 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.823 14.012 -1.092 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.598 12.371 -0.519 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.921 14.284 -2.793 1.00 0.52 H new ATOM 0 HD2 PHE A 153 2.505 11.195 0.166 1.00 0.62 H new ATOM 0 HE1 PHE A 153 5.378 13.945 -2.799 1.00 0.61 H new ATOM 0 HE2 PHE A 153 4.962 10.857 0.155 1.00 0.73 H new ATOM 0 HZ PHE A 153 6.398 12.231 -1.327 1.00 0.68 H new ATOM 997 N LEU A 154 -0.494 10.365 -2.415 1.00 0.53 N ATOM 998 CA LEU A 154 -0.507 8.880 -2.557 1.00 0.62 C ATOM 999 C LEU A 154 -0.601 8.487 -4.034 1.00 0.65 C ATOM 1000 O LEU A 154 0.222 7.754 -4.545 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.754 8.422 -1.799 1.00 0.75 C ATOM 1002 CG LEU A 154 -1.340 7.812 -0.459 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -0.470 6.578 -0.706 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -0.543 8.843 0.343 1.00 1.20 C ATOM 0 H LEU A 154 -1.320 10.766 -1.972 1.00 0.53 H new ATOM 0 HA LEU A 154 0.401 8.421 -2.166 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.424 9.266 -1.635 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -2.303 7.689 -2.390 1.00 0.75 H new ATOM 0 HG LEU A 154 -2.230 7.523 0.099 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -0.175 6.144 0.249 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -1.035 5.843 -1.280 1.00 1.65 H new ATOM 0 HD13 LEU A 154 0.421 6.867 -1.264 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -0.247 8.411 1.299 1.00 1.20 H new ATOM 0 HD22 LEU A 154 0.347 9.130 -0.217 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -1.161 9.724 0.519 1.00 1.20 H new ATOM 1016 N GLU A 155 -1.599 8.967 -4.725 1.00 0.69 N ATOM 1017 CA GLU A 155 -1.745 8.617 -6.168 1.00 0.81 C ATOM 1018 C GLU A 155 -0.429 8.864 -6.912 1.00 0.76 C ATOM 1019 O GLU A 155 -0.188 8.307 -7.964 1.00 0.90 O ATOM 1020 CB GLU A 155 -2.840 9.547 -6.692 1.00 0.97 C ATOM 1021 CG GLU A 155 -4.190 8.830 -6.636 1.00 1.41 C ATOM 1022 CD GLU A 155 -4.158 7.606 -7.553 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -4.347 7.780 -8.746 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -3.945 6.517 -7.048 1.00 2.77 O ATOM 0 H GLU A 155 -2.320 9.586 -4.354 1.00 0.69 H new ATOM 0 HA GLU A 155 -1.997 7.567 -6.313 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -2.875 10.458 -6.094 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.618 9.847 -7.716 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -4.409 8.525 -5.613 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -4.986 9.507 -6.944 1.00 1.41 H new ATOM 1031 N PHE A 156 0.423 9.694 -6.375 1.00 0.66 N ATOM 1032 CA PHE A 156 1.721 9.973 -7.057 1.00 0.77 C ATOM 1033 C PHE A 156 2.785 8.968 -6.603 1.00 0.71 C ATOM 1034 O PHE A 156 3.502 8.405 -7.405 1.00 0.88 O ATOM 1035 CB PHE A 156 2.097 11.394 -6.626 1.00 0.84 C ATOM 1036 CG PHE A 156 3.561 11.641 -6.905 1.00 1.01 C ATOM 1037 CD1 PHE A 156 4.524 11.292 -5.950 1.00 1.09 C ATOM 1038 CD2 PHE A 156 3.956 12.219 -8.118 1.00 1.49 C ATOM 1039 CE1 PHE A 156 5.881 11.520 -6.208 1.00 1.31 C ATOM 1040 CE2 PHE A 156 5.313 12.447 -8.376 1.00 1.72 C ATOM 1041 CZ PHE A 156 6.276 12.098 -7.421 1.00 1.53 C ATOM 0 H PHE A 156 0.278 10.190 -5.496 1.00 0.66 H new ATOM 0 HA PHE A 156 1.647 9.884 -8.141 1.00 0.77 H new ATOM 0 HB2 PHE A 156 1.487 12.120 -7.163 1.00 0.84 H new ATOM 0 HB3 PHE A 156 1.892 11.528 -5.564 1.00 0.84 H new ATOM 0 HD1 PHE A 156 4.220 10.847 -5.014 1.00 1.09 H new ATOM 0 HD2 PHE A 156 3.214 12.489 -8.855 1.00 1.49 H new ATOM 0 HE1 PHE A 156 6.623 11.250 -5.471 1.00 1.31 H new ATOM 0 HE2 PHE A 156 5.617 12.892 -9.312 1.00 1.72 H new ATOM 0 HZ PHE A 156 7.323 12.274 -7.620 1.00 1.53 H new ATOM 1051 N MET A 157 2.893 8.738 -5.322 1.00 0.61 N ATOM 1052 CA MET A 157 3.911 7.769 -4.824 1.00 0.69 C ATOM 1053 C MET A 157 3.565 6.353 -5.291 1.00 0.83 C ATOM 1054 O MET A 157 4.430 5.519 -5.472 1.00 1.17 O ATOM 1055 CB MET A 157 3.840 7.864 -3.300 1.00 0.84 C ATOM 1056 CG MET A 157 4.447 9.191 -2.842 1.00 0.92 C ATOM 1057 SD MET A 157 5.488 8.910 -1.388 1.00 1.56 S ATOM 1058 CE MET A 157 7.002 9.656 -2.043 1.00 0.90 C ATOM 0 H MET A 157 2.322 9.178 -4.601 1.00 0.61 H new ATOM 0 HA MET A 157 4.910 7.992 -5.198 1.00 0.69 H new ATOM 0 HB2 MET A 157 2.804 7.792 -2.969 1.00 0.84 H new ATOM 0 HB3 MET A 157 4.378 7.031 -2.848 1.00 0.84 H new ATOM 0 HG2 MET A 157 5.038 9.629 -3.646 1.00 0.92 H new ATOM 0 HG3 MET A 157 3.656 9.902 -2.604 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.559 10.122 -1.230 1.00 0.90 H new ATOM 0 HE2 MET A 157 7.616 8.885 -2.508 1.00 0.90 H new ATOM 0 HE3 MET A 157 6.744 10.411 -2.786 1.00 0.90 H new ATOM 1068 N LYS A 158 2.305 6.075 -5.489 1.00 0.86 N ATOM 1069 CA LYS A 158 1.907 4.712 -5.945 1.00 1.07 C ATOM 1070 C LYS A 158 2.118 4.579 -7.455 1.00 1.36 C ATOM 1071 O LYS A 158 1.238 4.162 -8.182 1.00 1.73 O ATOM 1072 CB LYS A 158 0.423 4.591 -5.595 1.00 1.28 C ATOM 1073 CG LYS A 158 0.239 3.526 -4.512 1.00 1.66 C ATOM 1074 CD LYS A 158 -0.809 3.998 -3.502 1.00 2.24 C ATOM 1075 CE LYS A 158 -0.745 3.120 -2.251 1.00 2.85 C ATOM 1076 NZ LYS A 158 -1.279 1.798 -2.681 1.00 3.52 N ATOM 0 H LYS A 158 1.535 6.731 -5.355 1.00 0.86 H new ATOM 0 HA LYS A 158 2.499 3.929 -5.472 1.00 1.07 H new ATOM 0 HB2 LYS A 158 0.042 5.550 -5.245 1.00 1.28 H new ATOM 0 HB3 LYS A 158 -0.150 4.325 -6.483 1.00 1.28 H new ATOM 0 HG2 LYS A 158 -0.074 2.584 -4.963 1.00 1.66 H new ATOM 0 HG3 LYS A 158 1.187 3.338 -4.007 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -0.631 5.040 -3.237 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -1.804 3.947 -3.944 1.00 2.24 H new ATOM 0 HE2 LYS A 158 0.277 3.032 -1.882 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -1.341 3.542 -1.442 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -1.474 1.213 -1.843 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -2.158 1.937 -3.219 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -0.578 1.319 -3.282 1.00 3.52 H new