USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 495 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 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -170:sc= 0.163 (180deg=-0.0471) USER MOD Single : A 107 ASN : amide:sc= 0.599 K(o=0.6,f=-0.2) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 151:sc= 0.495 (180deg=0.146) USER MOD Single : A 120 MET CE :methyl -121:sc= -1.92 (180deg=-4.7!) USER MOD Single : A 122 GLN : amide:sc= -0.69 K(o=-0.69,f=0) USER MOD Single : A 124 THR OG1 : rot -40:sc= 0.035 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.0525 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.0408 USER MOD Single : A 137 MET CE :methyl -131:sc= -3.58! (180deg=-7.74!) USER MOD Single : A 138 LYS NZ :NH3+ -129:sc= 2.44 (180deg=-0.451) USER MOD Single : A 142 LYS NZ :NH3+ 163:sc= 0.494 (180deg=-0.448) USER MOD Single : A 143 ASN : amide:sc= -0.0499 X(o=-0.05,f=-0.044) USER MOD Single : A 144 ASN : amide:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 150 TYR OH : rot -36:sc= 0.913 USER MOD Single : A 157 MET CE :methyl -128:sc= -0.329 (180deg=-1.53) USER MOD Single : A 158 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.153) USER MOD ----------------------------------------------------------------- ATOM 60 N GLU A 94 2.394 5.616 4.281 1.00 1.26 N ATOM 61 CA GLU A 94 2.232 6.747 5.251 1.00 1.17 C ATOM 62 C GLU A 94 3.331 6.737 6.328 1.00 1.12 C ATOM 63 O GLU A 94 3.683 7.775 6.855 1.00 1.09 O ATOM 64 CB GLU A 94 0.850 6.542 5.868 1.00 1.33 C ATOM 65 CG GLU A 94 -0.188 7.281 5.016 1.00 1.28 C ATOM 66 CD GLU A 94 -1.236 7.927 5.924 1.00 1.44 C ATOM 67 OE1 GLU A 94 -0.875 8.821 6.673 1.00 1.94 O ATOM 68 OE2 GLU A 94 -2.383 7.521 5.852 1.00 2.09 O ATOM 0 HA GLU A 94 2.321 7.715 4.757 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.612 5.479 5.915 1.00 1.33 H new ATOM 0 HB3 GLU A 94 0.834 6.918 6.891 1.00 1.33 H new ATOM 0 HG2 GLU A 94 0.301 8.043 4.410 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -0.668 6.586 4.327 1.00 1.28 H new ATOM 75 N GLU A 95 3.888 5.587 6.647 1.00 1.19 N ATOM 76 CA GLU A 95 4.978 5.534 7.678 1.00 1.23 C ATOM 77 C GLU A 95 6.076 6.553 7.332 1.00 1.03 C ATOM 78 O GLU A 95 6.417 7.405 8.131 1.00 1.01 O ATOM 79 CB GLU A 95 5.531 4.107 7.612 1.00 1.45 C ATOM 80 CG GLU A 95 4.643 3.170 8.439 1.00 1.90 C ATOM 81 CD GLU A 95 4.253 1.955 7.598 1.00 2.12 C ATOM 82 OE1 GLU A 95 5.053 1.038 7.511 1.00 2.49 O ATOM 83 OE2 GLU A 95 3.165 1.966 7.048 1.00 2.66 O ATOM 0 H GLU A 95 3.635 4.687 6.239 1.00 1.19 H new ATOM 0 HA GLU A 95 4.613 5.778 8.676 1.00 1.23 H new ATOM 0 HB2 GLU A 95 5.568 3.769 6.577 1.00 1.45 H new ATOM 0 HB3 GLU A 95 6.553 4.085 7.992 1.00 1.45 H new ATOM 0 HG2 GLU A 95 5.173 2.849 9.336 1.00 1.90 H new ATOM 0 HG3 GLU A 95 3.749 3.698 8.769 1.00 1.90 H new ATOM 90 N GLU A 96 6.615 6.481 6.137 1.00 1.02 N ATOM 91 CA GLU A 96 7.675 7.456 5.720 1.00 0.94 C ATOM 92 C GLU A 96 7.033 8.676 5.036 1.00 0.79 C ATOM 93 O GLU A 96 7.606 9.750 4.996 1.00 0.82 O ATOM 94 CB GLU A 96 8.556 6.699 4.718 1.00 1.15 C ATOM 95 CG GLU A 96 9.367 5.618 5.441 1.00 1.62 C ATOM 96 CD GLU A 96 9.271 4.304 4.664 1.00 1.99 C ATOM 97 OE1 GLU A 96 8.220 3.689 4.707 1.00 2.18 O ATOM 98 OE2 GLU A 96 10.251 3.937 4.036 1.00 2.78 O ATOM 0 H GLU A 96 6.366 5.788 5.431 1.00 1.02 H new ATOM 0 HA GLU A 96 8.247 7.821 6.573 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.934 6.244 3.947 1.00 1.15 H new ATOM 0 HB3 GLU A 96 9.229 7.394 4.216 1.00 1.15 H new ATOM 0 HG2 GLU A 96 10.409 5.927 5.527 1.00 1.62 H new ATOM 0 HG3 GLU A 96 8.990 5.482 6.455 1.00 1.62 H new ATOM 105 N LEU A 97 5.852 8.509 4.487 1.00 0.77 N ATOM 106 CA LEU A 97 5.161 9.642 3.790 1.00 0.71 C ATOM 107 C LEU A 97 4.823 10.771 4.776 1.00 0.67 C ATOM 108 O LEU A 97 4.996 11.935 4.470 1.00 0.75 O ATOM 109 CB LEU A 97 3.876 9.027 3.222 1.00 0.80 C ATOM 110 CG LEU A 97 4.062 8.685 1.740 1.00 0.77 C ATOM 111 CD1 LEU A 97 5.308 7.812 1.543 1.00 1.40 C ATOM 112 CD2 LEU A 97 2.833 7.922 1.244 1.00 1.22 C ATOM 0 H LEU A 97 5.334 7.630 4.492 1.00 0.77 H new ATOM 0 HA LEU A 97 5.788 10.085 3.016 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.617 8.127 3.780 1.00 0.80 H new ATOM 0 HB3 LEU A 97 3.047 9.725 3.340 1.00 0.80 H new ATOM 0 HG LEU A 97 4.186 9.610 1.177 1.00 0.77 H new ATOM 0 HD11 LEU A 97 5.425 7.578 0.485 1.00 1.40 H new ATOM 0 HD12 LEU A 97 6.188 8.350 1.896 1.00 1.40 H new ATOM 0 HD13 LEU A 97 5.197 6.887 2.109 1.00 1.40 H new ATOM 0 HD21 LEU A 97 2.959 7.675 0.190 1.00 1.22 H new ATOM 0 HD22 LEU A 97 2.718 7.004 1.820 1.00 1.22 H new ATOM 0 HD23 LEU A 97 1.945 8.542 1.368 1.00 1.22 H new ATOM 124 N SER A 98 4.341 10.435 5.950 1.00 0.69 N ATOM 125 CA SER A 98 3.985 11.488 6.960 1.00 0.76 C ATOM 126 C SER A 98 5.144 12.479 7.144 1.00 0.72 C ATOM 127 O SER A 98 4.957 13.679 7.079 1.00 0.77 O ATOM 128 CB SER A 98 3.721 10.724 8.260 1.00 0.92 C ATOM 129 OG SER A 98 3.239 11.628 9.247 1.00 1.57 O ATOM 0 H SER A 98 4.178 9.475 6.254 1.00 0.69 H new ATOM 0 HA SER A 98 3.121 12.074 6.647 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.992 9.932 8.088 1.00 0.92 H new ATOM 0 HB3 SER A 98 4.637 10.244 8.606 1.00 0.92 H new ATOM 0 HG SER A 98 3.067 11.142 10.080 1.00 1.57 H new ATOM 135 N ASP A 99 6.337 11.985 7.363 1.00 0.80 N ATOM 136 CA ASP A 99 7.511 12.896 7.542 1.00 0.86 C ATOM 137 C ASP A 99 7.868 13.586 6.215 1.00 0.81 C ATOM 138 O ASP A 99 8.311 14.720 6.200 1.00 0.91 O ATOM 139 CB ASP A 99 8.657 11.989 8.002 1.00 1.02 C ATOM 140 CG ASP A 99 8.886 12.172 9.502 1.00 1.23 C ATOM 141 OD1 ASP A 99 8.050 11.725 10.270 1.00 1.83 O ATOM 142 OD2 ASP A 99 9.893 12.760 9.859 1.00 1.79 O ATOM 0 H ASP A 99 6.550 10.989 7.426 1.00 0.80 H new ATOM 0 HA ASP A 99 7.305 13.689 8.261 1.00 0.86 H new ATOM 0 HB2 ASP A 99 8.420 10.948 7.785 1.00 1.02 H new ATOM 0 HB3 ASP A 99 9.567 12.230 7.453 1.00 1.02 H new ATOM 147 N LEU A 100 7.678 12.910 5.105 1.00 0.75 N ATOM 148 CA LEU A 100 8.008 13.522 3.778 1.00 0.76 C ATOM 149 C LEU A 100 7.158 14.778 3.532 1.00 0.68 C ATOM 150 O LEU A 100 7.656 15.785 3.075 1.00 0.79 O ATOM 151 CB LEU A 100 7.681 12.441 2.735 1.00 0.86 C ATOM 152 CG LEU A 100 8.945 12.085 1.940 1.00 0.79 C ATOM 153 CD1 LEU A 100 8.872 10.628 1.476 1.00 1.41 C ATOM 154 CD2 LEU A 100 9.048 12.999 0.717 1.00 1.41 C ATOM 0 H LEU A 100 7.308 11.960 5.062 1.00 0.75 H new ATOM 0 HA LEU A 100 9.051 13.833 3.728 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.289 11.552 3.230 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.904 12.798 2.059 1.00 0.86 H new ATOM 0 HG LEU A 100 9.820 12.218 2.576 1.00 0.79 H new ATOM 0 HD11 LEU A 100 9.771 10.380 0.912 1.00 1.41 H new ATOM 0 HD12 LEU A 100 8.796 9.973 2.344 1.00 1.41 H new ATOM 0 HD13 LEU A 100 7.997 10.492 0.841 1.00 1.41 H new ATOM 0 HD21 LEU A 100 9.945 12.749 0.150 1.00 1.41 H new ATOM 0 HD22 LEU A 100 8.170 12.863 0.086 1.00 1.41 H new ATOM 0 HD23 LEU A 100 9.103 14.038 1.043 1.00 1.41 H new ATOM 166 N PHE A 101 5.882 14.716 3.817 1.00 0.60 N ATOM 167 CA PHE A 101 4.986 15.897 3.584 1.00 0.59 C ATOM 168 C PHE A 101 5.201 17.008 4.628 1.00 0.60 C ATOM 169 O PHE A 101 5.286 18.171 4.285 1.00 0.72 O ATOM 170 CB PHE A 101 3.569 15.330 3.703 1.00 0.61 C ATOM 171 CG PHE A 101 2.571 16.316 3.144 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.094 17.361 3.945 1.00 0.68 C ATOM 173 CD2 PHE A 101 2.117 16.179 1.828 1.00 0.86 C ATOM 174 CE1 PHE A 101 1.166 18.273 3.426 1.00 0.73 C ATOM 175 CE2 PHE A 101 1.190 17.088 1.309 1.00 0.90 C ATOM 176 CZ PHE A 101 0.713 18.135 2.108 1.00 0.69 C ATOM 0 H PHE A 101 5.417 13.895 4.203 1.00 0.60 H new ATOM 0 HA PHE A 101 5.186 16.359 2.617 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.500 14.385 3.164 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.339 15.119 4.747 1.00 0.61 H new ATOM 0 HD1 PHE A 101 2.441 17.464 4.962 1.00 0.68 H new ATOM 0 HD2 PHE A 101 2.483 15.371 1.212 1.00 0.86 H new ATOM 0 HE1 PHE A 101 0.800 19.082 4.042 1.00 0.73 H new ATOM 0 HE2 PHE A 101 0.842 16.983 0.292 1.00 0.90 H new ATOM 0 HZ PHE A 101 -0.004 18.836 1.708 1.00 0.69 H new ATOM 186 N ARG A 102 5.256 16.670 5.894 1.00 0.67 N ATOM 187 CA ARG A 102 5.428 17.725 6.951 1.00 0.76 C ATOM 188 C ARG A 102 6.777 18.457 6.830 1.00 0.68 C ATOM 189 O ARG A 102 6.885 19.618 7.177 1.00 0.78 O ATOM 190 CB ARG A 102 5.328 16.981 8.290 1.00 0.99 C ATOM 191 CG ARG A 102 6.608 16.177 8.553 1.00 1.30 C ATOM 192 CD ARG A 102 6.495 15.462 9.902 1.00 1.45 C ATOM 193 NE ARG A 102 7.901 15.143 10.293 1.00 2.12 N ATOM 194 CZ ARG A 102 8.225 15.069 11.553 1.00 2.71 C ATOM 195 NH1 ARG A 102 8.609 16.139 12.187 1.00 3.37 N1+ ATOM 196 NH2 ARG A 102 8.178 13.923 12.170 1.00 3.07 N ATOM 0 H ARG A 102 5.190 15.714 6.243 1.00 0.67 H new ATOM 0 HA ARG A 102 4.668 18.500 6.852 1.00 0.76 H new ATOM 0 HB2 ARG A 102 5.167 17.694 9.098 1.00 0.99 H new ATOM 0 HB3 ARG A 102 4.467 16.312 8.278 1.00 0.99 H new ATOM 0 HG2 ARG A 102 6.763 15.450 7.756 1.00 1.30 H new ATOM 0 HG3 ARG A 102 7.473 16.840 8.552 1.00 1.30 H new ATOM 0 HD2 ARG A 102 6.014 16.097 10.646 1.00 1.45 H new ATOM 0 HD3 ARG A 102 5.894 14.557 9.819 1.00 1.45 H new ATOM 0 HE ARG A 102 8.607 14.983 9.574 1.00 2.12 H new ATOM 0 HH11 ARG A 102 8.656 17.033 11.698 1.00 3.37 H new ATOM 0 HH12 ARG A 102 8.863 16.084 13.173 1.00 3.37 H new ATOM 0 HH21 ARG A 102 7.888 13.084 11.667 1.00 3.07 H new ATOM 0 HH22 ARG A 102 8.431 13.864 13.156 1.00 3.07 H new ATOM 210 N MET A 103 7.804 17.798 6.356 1.00 0.71 N ATOM 211 CA MET A 103 9.133 18.476 6.238 1.00 0.75 C ATOM 212 C MET A 103 9.366 19.029 4.822 1.00 0.68 C ATOM 213 O MET A 103 10.351 19.699 4.574 1.00 0.83 O ATOM 214 CB MET A 103 10.163 17.393 6.564 1.00 0.93 C ATOM 215 CG MET A 103 10.119 17.086 8.062 1.00 1.27 C ATOM 216 SD MET A 103 11.795 17.145 8.744 1.00 1.82 S ATOM 217 CE MET A 103 11.978 15.372 9.064 1.00 2.43 C ATOM 0 H MET A 103 7.782 16.826 6.047 1.00 0.71 H new ATOM 0 HA MET A 103 9.200 19.332 6.910 1.00 0.75 H new ATOM 0 HB2 MET A 103 9.952 16.491 5.990 1.00 0.93 H new ATOM 0 HB3 MET A 103 11.161 17.727 6.279 1.00 0.93 H new ATOM 0 HG2 MET A 103 9.482 17.808 8.573 1.00 1.27 H new ATOM 0 HG3 MET A 103 9.682 16.101 8.229 1.00 1.27 H new ATOM 0 HE1 MET A 103 12.960 15.180 9.495 1.00 2.43 H new ATOM 0 HE2 MET A 103 11.206 15.046 9.761 1.00 2.43 H new ATOM 0 HE3 MET A 103 11.878 14.821 8.129 1.00 2.43 H new ATOM 227 N PHE A 104 8.488 18.750 3.889 1.00 0.68 N ATOM 228 CA PHE A 104 8.694 19.258 2.500 1.00 0.79 C ATOM 229 C PHE A 104 8.102 20.663 2.325 1.00 0.71 C ATOM 230 O PHE A 104 8.813 21.594 2.005 1.00 0.88 O ATOM 231 CB PHE A 104 7.974 18.256 1.589 1.00 0.94 C ATOM 232 CG PHE A 104 8.992 17.401 0.865 1.00 1.31 C ATOM 233 CD1 PHE A 104 10.084 16.860 1.557 1.00 1.26 C ATOM 234 CD2 PHE A 104 8.842 17.155 -0.504 1.00 2.03 C ATOM 235 CE1 PHE A 104 11.026 16.076 0.877 1.00 1.86 C ATOM 236 CE2 PHE A 104 9.782 16.371 -1.183 1.00 2.65 C ATOM 237 CZ PHE A 104 10.873 15.830 -0.493 1.00 2.56 C ATOM 0 H PHE A 104 7.643 18.196 4.029 1.00 0.68 H new ATOM 0 HA PHE A 104 9.755 19.341 2.263 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.309 17.625 2.180 1.00 0.94 H new ATOM 0 HB3 PHE A 104 7.352 18.787 0.868 1.00 0.94 H new ATOM 0 HD1 PHE A 104 10.200 17.047 2.614 1.00 1.26 H new ATOM 0 HD2 PHE A 104 8.000 17.570 -1.038 1.00 2.03 H new ATOM 0 HE1 PHE A 104 11.869 15.662 1.409 1.00 1.86 H new ATOM 0 HE2 PHE A 104 9.665 16.183 -2.240 1.00 2.65 H new ATOM 0 HZ PHE A 104 11.597 15.223 -1.017 1.00 2.56 H new ATOM 247 N ASP A 105 6.806 20.806 2.508 1.00 0.61 N ATOM 248 CA ASP A 105 6.127 22.137 2.322 1.00 0.60 C ATOM 249 C ASP A 105 6.991 23.320 2.792 1.00 0.56 C ATOM 250 O ASP A 105 7.057 23.635 3.965 1.00 0.63 O ATOM 251 CB ASP A 105 4.828 22.050 3.140 1.00 0.68 C ATOM 252 CG ASP A 105 3.726 22.875 2.457 1.00 0.86 C ATOM 253 OD1 ASP A 105 3.608 22.793 1.248 1.00 0.84 O ATOM 254 OD2 ASP A 105 3.014 23.575 3.152 1.00 1.45 O ATOM 0 H ASP A 105 6.181 20.048 2.782 1.00 0.61 H new ATOM 0 HA ASP A 105 5.942 22.326 1.264 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.513 21.010 3.230 1.00 0.68 H new ATOM 0 HB3 ASP A 105 4.999 22.420 4.151 1.00 0.68 H new ATOM 259 N LYS A 106 7.627 23.996 1.863 1.00 0.59 N ATOM 260 CA LYS A 106 8.458 25.185 2.229 1.00 0.66 C ATOM 261 C LYS A 106 7.522 26.346 2.569 1.00 0.55 C ATOM 262 O LYS A 106 7.778 27.129 3.463 1.00 0.63 O ATOM 263 CB LYS A 106 9.287 25.511 0.983 1.00 0.87 C ATOM 264 CG LYS A 106 10.777 25.398 1.312 1.00 1.21 C ATOM 265 CD LYS A 106 11.211 23.934 1.218 1.00 1.61 C ATOM 266 CE LYS A 106 12.087 23.580 2.422 1.00 1.77 C ATOM 267 NZ LYS A 106 11.862 22.124 2.647 1.00 2.14 N1+ ATOM 0 H LYS A 106 7.605 23.774 0.868 1.00 0.59 H new ATOM 0 HA LYS A 106 9.102 25.003 3.089 1.00 0.66 H new ATOM 0 HB2 LYS A 106 9.030 24.827 0.174 1.00 0.87 H new ATOM 0 HB3 LYS A 106 9.057 26.518 0.634 1.00 0.87 H new ATOM 0 HG2 LYS A 106 11.360 26.006 0.621 1.00 1.21 H new ATOM 0 HG3 LYS A 106 10.969 25.782 2.314 1.00 1.21 H new ATOM 0 HD2 LYS A 106 10.335 23.286 1.190 1.00 1.61 H new ATOM 0 HD3 LYS A 106 11.762 23.766 0.293 1.00 1.61 H new ATOM 0 HE2 LYS A 106 13.137 23.791 2.222 1.00 1.77 H new ATOM 0 HE3 LYS A 106 11.807 24.163 3.299 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 12.291 21.842 3.551 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 10.840 21.931 2.673 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 12.297 21.582 1.873 1.00 2.14 H new ATOM 281 N ASN A 107 6.421 26.437 1.863 1.00 0.48 N ATOM 282 CA ASN A 107 5.428 27.515 2.127 1.00 0.50 C ATOM 283 C ASN A 107 4.359 27.009 3.120 1.00 0.58 C ATOM 284 O ASN A 107 3.188 27.297 2.977 1.00 0.70 O ATOM 285 CB ASN A 107 4.814 27.837 0.763 1.00 0.54 C ATOM 286 CG ASN A 107 4.041 29.151 0.847 1.00 0.70 C ATOM 287 OD1 ASN A 107 4.615 30.197 1.067 1.00 1.00 O ATOM 288 ND2 ASN A 107 2.750 29.137 0.690 1.00 0.78 N ATOM 0 H ASN A 107 6.169 25.801 1.107 1.00 0.48 H new ATOM 0 HA ASN A 107 5.878 28.401 2.575 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.597 27.912 0.009 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.149 27.031 0.453 1.00 0.54 H new ATOM 0 HD21 ASN A 107 2.219 30.006 0.752 1.00 0.78 H new ATOM 0 HD22 ASN A 107 2.268 28.257 0.505 1.00 0.78 H new ATOM 295 N ALA A 108 4.781 26.235 4.100 1.00 0.65 N ATOM 296 CA ALA A 108 3.863 25.640 5.140 1.00 0.84 C ATOM 297 C ALA A 108 2.478 26.315 5.224 1.00 0.78 C ATOM 298 O ALA A 108 2.307 27.329 5.876 1.00 0.96 O ATOM 299 CB ALA A 108 4.616 25.830 6.459 1.00 1.03 C ATOM 0 H ALA A 108 5.761 25.981 4.227 1.00 0.65 H new ATOM 0 HA ALA A 108 3.643 24.601 4.893 1.00 0.84 H new ATOM 0 HB1 ALA A 108 4.022 25.425 7.279 1.00 1.03 H new ATOM 0 HB2 ALA A 108 5.572 25.308 6.411 1.00 1.03 H new ATOM 0 HB3 ALA A 108 4.791 26.892 6.628 1.00 1.03 H new ATOM 305 N ASP A 109 1.485 25.731 4.596 1.00 0.73 N ATOM 306 CA ASP A 109 0.097 26.301 4.665 1.00 0.74 C ATOM 307 C ASP A 109 -0.966 25.185 4.546 1.00 0.78 C ATOM 308 O ASP A 109 -2.130 25.454 4.314 1.00 0.96 O ATOM 309 CB ASP A 109 -0.014 27.298 3.494 1.00 0.72 C ATOM 310 CG ASP A 109 0.312 26.632 2.149 1.00 1.15 C ATOM 311 OD1 ASP A 109 0.075 25.448 2.004 1.00 1.66 O ATOM 312 OD2 ASP A 109 0.793 27.327 1.275 1.00 1.95 O ATOM 0 H ASP A 109 1.574 24.882 4.037 1.00 0.73 H new ATOM 0 HA ASP A 109 -0.081 26.794 5.621 1.00 0.74 H new ATOM 0 HB2 ASP A 109 -1.023 27.710 3.461 1.00 0.72 H new ATOM 0 HB3 ASP A 109 0.666 28.133 3.661 1.00 0.72 H new ATOM 317 N GLY A 110 -0.574 23.937 4.704 1.00 0.76 N ATOM 318 CA GLY A 110 -1.556 22.812 4.603 1.00 0.85 C ATOM 319 C GLY A 110 -1.539 22.204 3.190 1.00 0.70 C ATOM 320 O GLY A 110 -1.772 21.024 3.020 1.00 0.73 O ATOM 0 H GLY A 110 0.386 23.653 4.899 1.00 0.76 H new ATOM 0 HA2 GLY A 110 -1.315 22.044 5.338 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -2.557 23.174 4.837 1.00 0.85 H new ATOM 324 N TYR A 111 -1.278 22.996 2.178 1.00 0.68 N ATOM 325 CA TYR A 111 -1.265 22.455 0.779 1.00 0.60 C ATOM 326 C TYR A 111 0.105 22.677 0.121 1.00 0.58 C ATOM 327 O TYR A 111 0.999 23.253 0.708 1.00 0.83 O ATOM 328 CB TYR A 111 -2.354 23.244 0.045 1.00 0.68 C ATOM 329 CG TYR A 111 -3.690 22.996 0.711 1.00 0.68 C ATOM 330 CD1 TYR A 111 -4.074 23.767 1.817 1.00 0.78 C ATOM 331 CD2 TYR A 111 -4.540 21.992 0.230 1.00 0.71 C ATOM 332 CE1 TYR A 111 -5.306 23.535 2.439 1.00 0.83 C ATOM 333 CE2 TYR A 111 -5.773 21.762 0.853 1.00 0.78 C ATOM 334 CZ TYR A 111 -6.155 22.533 1.957 1.00 0.80 C ATOM 335 OH TYR A 111 -7.369 22.304 2.573 1.00 0.90 O ATOM 0 H TYR A 111 -1.074 23.992 2.258 1.00 0.68 H new ATOM 0 HA TYR A 111 -1.447 21.381 0.752 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -2.120 24.308 0.060 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -2.395 22.941 -1.001 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -3.419 24.541 2.189 1.00 0.78 H new ATOM 0 HD2 TYR A 111 -4.245 21.396 -0.621 1.00 0.71 H new ATOM 0 HE1 TYR A 111 -5.601 24.129 3.291 1.00 0.83 H new ATOM 0 HE2 TYR A 111 -6.430 20.989 0.481 1.00 0.78 H new ATOM 0 HH TYR A 111 -7.836 21.575 2.114 1.00 0.90 H new ATOM 345 N ILE A 112 0.279 22.211 -1.092 1.00 0.50 N ATOM 346 CA ILE A 112 1.597 22.379 -1.785 1.00 0.50 C ATOM 347 C ILE A 112 1.424 23.089 -3.135 1.00 0.49 C ATOM 348 O ILE A 112 0.424 22.926 -3.805 1.00 0.66 O ATOM 349 CB ILE A 112 2.104 20.951 -2.005 1.00 0.50 C ATOM 350 CG1 ILE A 112 2.421 20.297 -0.656 1.00 0.62 C ATOM 351 CG2 ILE A 112 3.371 20.984 -2.864 1.00 0.58 C ATOM 352 CD1 ILE A 112 2.947 18.880 -0.886 1.00 0.66 C ATOM 0 H ILE A 112 -0.434 21.722 -1.633 1.00 0.50 H new ATOM 0 HA ILE A 112 2.287 22.987 -1.200 1.00 0.50 H new ATOM 0 HB ILE A 112 1.332 20.372 -2.513 1.00 0.50 H new ATOM 0 HG12 ILE A 112 3.162 20.888 -0.119 1.00 0.62 H new ATOM 0 HG13 ILE A 112 1.526 20.267 -0.035 1.00 0.62 H new ATOM 0 HG21 ILE A 112 3.731 19.967 -3.020 1.00 0.58 H new ATOM 0 HG22 ILE A 112 3.146 21.441 -3.828 1.00 0.58 H new ATOM 0 HG23 ILE A 112 4.139 21.567 -2.357 1.00 0.58 H new ATOM 0 HD11 ILE A 112 3.172 18.415 0.074 1.00 0.66 H new ATOM 0 HD12 ILE A 112 2.191 18.291 -1.406 1.00 0.66 H new ATOM 0 HD13 ILE A 112 3.853 18.922 -1.490 1.00 0.66 H new ATOM 364 N ASP A 113 2.406 23.859 -3.544 1.00 0.47 N ATOM 365 CA ASP A 113 2.319 24.569 -4.860 1.00 0.50 C ATOM 366 C ASP A 113 3.382 24.033 -5.829 1.00 0.50 C ATOM 367 O ASP A 113 4.281 23.308 -5.444 1.00 0.57 O ATOM 368 CB ASP A 113 2.580 26.044 -4.541 1.00 0.60 C ATOM 369 CG ASP A 113 1.263 26.740 -4.193 1.00 1.17 C ATOM 370 OD1 ASP A 113 0.741 26.484 -3.120 1.00 1.85 O ATOM 371 OD2 ASP A 113 0.801 27.521 -5.007 1.00 1.77 O ATOM 0 H ASP A 113 3.266 24.026 -3.021 1.00 0.47 H new ATOM 0 HA ASP A 113 1.351 24.422 -5.339 1.00 0.50 H new ATOM 0 HB2 ASP A 113 3.277 26.127 -3.707 1.00 0.60 H new ATOM 0 HB3 ASP A 113 3.046 26.534 -5.396 1.00 0.60 H new ATOM 376 N LEU A 114 3.281 24.385 -7.087 1.00 0.52 N ATOM 377 CA LEU A 114 4.278 23.898 -8.094 1.00 0.57 C ATOM 378 C LEU A 114 5.675 24.480 -7.823 1.00 0.63 C ATOM 379 O LEU A 114 6.678 23.852 -8.109 1.00 0.80 O ATOM 380 CB LEU A 114 3.747 24.378 -9.448 1.00 0.62 C ATOM 381 CG LEU A 114 2.660 23.419 -9.943 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.326 24.160 -10.063 1.00 0.91 C ATOM 383 CD2 LEU A 114 3.056 22.868 -11.313 1.00 0.81 C ATOM 0 H LEU A 114 2.550 24.990 -7.462 1.00 0.52 H new ATOM 0 HA LEU A 114 4.388 22.814 -8.056 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.342 25.386 -9.355 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.560 24.427 -10.172 1.00 0.62 H new ATOM 0 HG LEU A 114 2.554 22.600 -9.232 1.00 0.61 H new ATOM 0 HD11 LEU A 114 0.558 23.472 -10.416 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.040 24.555 -9.088 1.00 0.91 H new ATOM 0 HD13 LEU A 114 1.429 24.982 -10.771 1.00 0.91 H new ATOM 0 HD21 LEU A 114 2.284 22.185 -11.668 1.00 0.81 H new ATOM 0 HD22 LEU A 114 3.164 23.691 -12.019 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.003 22.334 -11.231 1.00 0.81 H new ATOM 395 N ASP A 115 5.748 25.670 -7.279 1.00 0.61 N ATOM 396 CA ASP A 115 7.081 26.291 -6.996 1.00 0.71 C ATOM 397 C ASP A 115 7.800 25.563 -5.847 1.00 0.65 C ATOM 398 O ASP A 115 8.999 25.362 -5.890 1.00 0.89 O ATOM 399 CB ASP A 115 6.769 27.739 -6.607 1.00 0.80 C ATOM 400 CG ASP A 115 7.977 28.622 -6.920 1.00 1.17 C ATOM 401 OD1 ASP A 115 8.847 28.724 -6.073 1.00 1.76 O ATOM 402 OD2 ASP A 115 8.018 29.173 -8.007 1.00 1.76 O ATOM 0 H ASP A 115 4.942 26.239 -7.018 1.00 0.61 H new ATOM 0 HA ASP A 115 7.746 26.230 -7.858 1.00 0.71 H new ATOM 0 HB2 ASP A 115 5.895 28.093 -7.153 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.527 27.798 -5.546 1.00 0.80 H new ATOM 407 N GLU A 116 7.080 25.166 -4.824 1.00 0.51 N ATOM 408 CA GLU A 116 7.729 24.452 -3.672 1.00 0.48 C ATOM 409 C GLU A 116 8.231 23.054 -4.100 1.00 0.49 C ATOM 410 O GLU A 116 9.062 22.464 -3.441 1.00 0.63 O ATOM 411 CB GLU A 116 6.636 24.309 -2.593 1.00 0.48 C ATOM 412 CG GLU A 116 5.946 25.652 -2.324 1.00 0.57 C ATOM 413 CD GLU A 116 4.856 25.450 -1.267 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.180 24.999 -0.180 1.00 1.36 O ATOM 415 OE2 GLU A 116 3.713 25.747 -1.559 1.00 1.19 O ATOM 0 H GLU A 116 6.073 25.304 -4.735 1.00 0.51 H new ATOM 0 HA GLU A 116 8.594 25.006 -3.307 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.897 23.575 -2.915 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.078 23.933 -1.671 1.00 0.48 H new ATOM 0 HG2 GLU A 116 6.674 26.387 -1.979 1.00 0.57 H new ATOM 0 HG3 GLU A 116 5.511 26.042 -3.244 1.00 0.57 H new ATOM 422 N LEU A 117 7.716 22.514 -5.186 1.00 0.48 N ATOM 423 CA LEU A 117 8.144 21.142 -5.639 1.00 0.52 C ATOM 424 C LEU A 117 9.615 21.110 -6.084 1.00 0.58 C ATOM 425 O LEU A 117 10.300 20.122 -5.896 1.00 0.69 O ATOM 426 CB LEU A 117 7.248 20.808 -6.841 1.00 0.55 C ATOM 427 CG LEU A 117 5.789 20.626 -6.405 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.893 20.655 -7.641 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.620 19.278 -5.700 1.00 0.53 C ATOM 0 H LEU A 117 7.018 22.963 -5.779 1.00 0.48 H new ATOM 0 HA LEU A 117 8.049 20.429 -4.820 1.00 0.52 H new ATOM 0 HB2 LEU A 117 7.313 21.606 -7.581 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.604 19.897 -7.322 1.00 0.55 H new ATOM 0 HG LEU A 117 5.514 21.429 -5.721 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.853 20.526 -7.340 1.00 0.58 H new ATOM 0 HD12 LEU A 117 5.007 21.612 -8.151 1.00 0.58 H new ATOM 0 HD13 LEU A 117 5.178 19.848 -8.316 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.581 19.156 -5.393 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.894 18.474 -6.383 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.264 19.244 -4.822 1.00 0.53 H new ATOM 441 N LYS A 118 10.094 22.159 -6.703 1.00 0.59 N ATOM 442 CA LYS A 118 11.509 22.167 -7.199 1.00 0.69 C ATOM 443 C LYS A 118 12.533 22.501 -6.091 1.00 0.64 C ATOM 444 O LYS A 118 13.725 22.398 -6.307 1.00 0.73 O ATOM 445 CB LYS A 118 11.527 23.243 -8.295 1.00 0.83 C ATOM 446 CG LYS A 118 11.721 24.629 -7.668 1.00 0.99 C ATOM 447 CD LYS A 118 11.336 25.712 -8.683 1.00 1.35 C ATOM 448 CE LYS A 118 10.497 26.792 -7.992 1.00 1.51 C ATOM 449 NZ LYS A 118 10.637 28.006 -8.849 1.00 1.99 N1+ ATOM 0 H LYS A 118 9.568 23.013 -6.888 1.00 0.59 H new ATOM 0 HA LYS A 118 11.800 21.181 -7.561 1.00 0.69 H new ATOM 0 HB2 LYS A 118 12.331 23.039 -9.003 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.593 23.217 -8.857 1.00 0.83 H new ATOM 0 HG2 LYS A 118 11.108 24.723 -6.771 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.759 24.758 -7.360 1.00 0.99 H new ATOM 0 HD2 LYS A 118 12.233 26.155 -9.114 1.00 1.35 H new ATOM 0 HD3 LYS A 118 10.772 25.270 -9.505 1.00 1.35 H new ATOM 0 HE2 LYS A 118 9.454 26.487 -7.909 1.00 1.51 H new ATOM 0 HE3 LYS A 118 10.855 26.981 -6.980 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 9.781 28.591 -8.765 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 11.464 28.556 -8.539 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 10.764 27.718 -9.840 1.00 1.99 H new ATOM 463 N ILE A 119 12.100 22.928 -4.929 1.00 0.68 N ATOM 464 CA ILE A 119 13.088 23.289 -3.853 1.00 0.74 C ATOM 465 C ILE A 119 13.295 22.151 -2.831 1.00 0.75 C ATOM 466 O ILE A 119 14.246 22.173 -2.072 1.00 0.85 O ATOM 467 CB ILE A 119 12.486 24.527 -3.170 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.542 25.719 -4.132 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.279 24.865 -1.902 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.293 26.585 -3.949 1.00 1.06 C ATOM 0 H ILE A 119 11.118 23.043 -4.677 1.00 0.68 H new ATOM 0 HA ILE A 119 14.075 23.474 -4.276 1.00 0.74 H new ATOM 0 HB ILE A 119 11.451 24.316 -2.902 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.438 26.310 -3.943 1.00 1.22 H new ATOM 0 HG13 ILE A 119 12.605 25.366 -5.161 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.845 25.744 -1.425 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.240 24.021 -1.213 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.316 25.071 -2.166 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.334 27.432 -4.634 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.404 25.991 -4.160 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.250 26.950 -2.923 1.00 1.06 H new ATOM 482 N MET A 120 12.424 21.174 -2.778 1.00 0.85 N ATOM 483 CA MET A 120 12.606 20.079 -1.769 1.00 1.01 C ATOM 484 C MET A 120 13.583 19.001 -2.262 1.00 0.95 C ATOM 485 O MET A 120 14.453 18.574 -1.526 1.00 1.11 O ATOM 486 CB MET A 120 11.212 19.492 -1.548 1.00 1.17 C ATOM 487 CG MET A 120 10.613 20.095 -0.279 1.00 1.52 C ATOM 488 SD MET A 120 9.819 21.665 -0.685 1.00 1.88 S ATOM 489 CE MET A 120 8.139 21.021 -0.859 1.00 1.43 C ATOM 0 H MET A 120 11.605 21.085 -3.379 1.00 0.85 H new ATOM 0 HA MET A 120 13.038 20.466 -0.846 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.573 19.707 -2.405 1.00 1.17 H new ATOM 0 HB3 MET A 120 11.270 18.407 -1.458 1.00 1.17 H new ATOM 0 HG2 MET A 120 9.887 19.409 0.156 1.00 1.52 H new ATOM 0 HG3 MET A 120 11.392 20.250 0.467 1.00 1.52 H new ATOM 0 HE1 MET A 120 7.772 21.230 -1.864 1.00 1.43 H new ATOM 0 HE2 MET A 120 8.143 19.944 -0.691 1.00 1.43 H new ATOM 0 HE3 MET A 120 7.488 21.500 -0.128 1.00 1.43 H new ATOM 499 N LEU A 121 13.451 18.548 -3.487 1.00 0.87 N ATOM 500 CA LEU A 121 14.385 17.487 -3.997 1.00 0.95 C ATOM 501 C LEU A 121 15.827 18.017 -4.138 1.00 0.87 C ATOM 502 O LEU A 121 16.746 17.253 -4.365 1.00 0.97 O ATOM 503 CB LEU A 121 13.833 17.075 -5.366 1.00 1.09 C ATOM 504 CG LEU A 121 13.263 15.655 -5.288 1.00 1.41 C ATOM 505 CD1 LEU A 121 11.754 15.697 -5.536 1.00 2.03 C ATOM 506 CD2 LEU A 121 13.932 14.777 -6.350 1.00 1.80 C ATOM 0 H LEU A 121 12.744 18.862 -4.152 1.00 0.87 H new ATOM 0 HA LEU A 121 14.436 16.648 -3.303 1.00 0.95 H new ATOM 0 HB2 LEU A 121 13.056 17.772 -5.680 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.623 17.119 -6.116 1.00 1.09 H new ATOM 0 HG LEU A 121 13.457 15.239 -4.299 1.00 1.41 H new ATOM 0 HD11 LEU A 121 11.348 14.687 -5.481 1.00 2.03 H new ATOM 0 HD12 LEU A 121 11.278 16.321 -4.780 1.00 2.03 H new ATOM 0 HD13 LEU A 121 11.559 16.113 -6.525 1.00 2.03 H new ATOM 0 HD21 LEU A 121 13.527 13.767 -6.295 1.00 1.80 H new ATOM 0 HD22 LEU A 121 13.739 15.192 -7.339 1.00 1.80 H new ATOM 0 HD23 LEU A 121 15.007 14.747 -6.173 1.00 1.80 H new ATOM 518 N GLN A 122 16.037 19.309 -4.004 1.00 0.82 N ATOM 519 CA GLN A 122 17.424 19.873 -4.129 1.00 0.95 C ATOM 520 C GLN A 122 18.359 19.259 -3.076 1.00 1.04 C ATOM 521 O GLN A 122 19.498 18.944 -3.362 1.00 1.19 O ATOM 522 CB GLN A 122 17.272 21.383 -3.894 1.00 1.14 C ATOM 523 CG GLN A 122 16.464 22.009 -5.038 1.00 1.42 C ATOM 524 CD GLN A 122 17.292 23.103 -5.718 1.00 1.85 C ATOM 525 OE1 GLN A 122 17.308 24.232 -5.272 1.00 2.44 O ATOM 526 NE2 GLN A 122 17.982 22.820 -6.789 1.00 2.28 N ATOM 0 H GLN A 122 15.308 19.997 -3.814 1.00 0.82 H new ATOM 0 HA GLN A 122 17.861 19.653 -5.103 1.00 0.95 H new ATOM 0 HB2 GLN A 122 16.772 21.564 -2.942 1.00 1.14 H new ATOM 0 HB3 GLN A 122 18.254 21.851 -3.832 1.00 1.14 H new ATOM 0 HG2 GLN A 122 16.190 21.243 -5.764 1.00 1.42 H new ATOM 0 HG3 GLN A 122 15.535 22.430 -4.652 1.00 1.42 H new ATOM 0 HE21 GLN A 122 17.971 21.873 -7.167 1.00 2.28 H new ATOM 0 HE22 GLN A 122 18.532 23.546 -7.248 1.00 2.28 H new ATOM 535 N ALA A 123 17.886 19.089 -1.865 1.00 1.09 N ATOM 536 CA ALA A 123 18.746 18.498 -0.787 1.00 1.33 C ATOM 537 C ALA A 123 19.190 17.065 -1.143 1.00 1.38 C ATOM 538 O ALA A 123 20.280 16.649 -0.799 1.00 1.62 O ATOM 539 CB ALA A 123 17.864 18.486 0.465 1.00 1.45 C ATOM 0 H ALA A 123 16.940 19.334 -1.574 1.00 1.09 H new ATOM 0 HA ALA A 123 19.660 19.075 -0.647 1.00 1.33 H new ATOM 0 HB1 ALA A 123 18.424 18.066 1.301 1.00 1.45 H new ATOM 0 HB2 ALA A 123 17.561 19.505 0.707 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.978 17.878 0.280 1.00 1.45 H new ATOM 545 N THR A 124 18.354 16.305 -1.815 1.00 1.29 N ATOM 546 CA THR A 124 18.736 14.896 -2.171 1.00 1.47 C ATOM 547 C THR A 124 19.290 14.788 -3.605 1.00 1.44 C ATOM 548 O THR A 124 19.712 13.726 -4.024 1.00 1.72 O ATOM 549 CB THR A 124 17.442 14.078 -2.022 1.00 1.56 C ATOM 550 OG1 THR A 124 17.767 12.698 -1.921 1.00 2.16 O ATOM 551 CG2 THR A 124 16.519 14.295 -3.230 1.00 1.92 C ATOM 0 H THR A 124 17.429 16.596 -2.131 1.00 1.29 H new ATOM 0 HA THR A 124 19.534 14.532 -1.524 1.00 1.47 H new ATOM 0 HB THR A 124 16.923 14.408 -1.122 1.00 1.56 H new ATOM 0 HG1 THR A 124 18.498 12.488 -2.539 1.00 2.16 H new ATOM 0 HG21 THR A 124 15.610 13.707 -3.104 1.00 1.92 H new ATOM 0 HG22 THR A 124 16.260 15.351 -3.305 1.00 1.92 H new ATOM 0 HG23 THR A 124 17.031 13.981 -4.140 1.00 1.92 H new ATOM 559 N GLY A 125 19.296 15.862 -4.361 1.00 1.26 N ATOM 560 CA GLY A 125 19.828 15.790 -5.758 1.00 1.32 C ATOM 561 C GLY A 125 18.738 16.202 -6.750 1.00 1.26 C ATOM 562 O GLY A 125 18.048 15.370 -7.309 1.00 1.63 O ATOM 0 H GLY A 125 18.957 16.780 -4.072 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.693 16.445 -5.862 1.00 1.32 H new ATOM 0 HA3 GLY A 125 20.167 14.777 -5.976 1.00 1.32 H new ATOM 566 N GLU A 126 18.584 17.482 -6.975 1.00 1.02 N ATOM 567 CA GLU A 126 17.542 17.964 -7.935 1.00 1.08 C ATOM 568 C GLU A 126 18.162 18.173 -9.326 1.00 0.89 C ATOM 569 O GLU A 126 18.381 19.288 -9.763 1.00 0.87 O ATOM 570 CB GLU A 126 17.052 19.290 -7.338 1.00 1.34 C ATOM 571 CG GLU A 126 15.877 19.845 -8.155 1.00 1.45 C ATOM 572 CD GLU A 126 14.592 19.097 -7.792 1.00 1.61 C ATOM 573 OE1 GLU A 126 14.383 18.022 -8.327 1.00 2.16 O ATOM 574 OE2 GLU A 126 13.837 19.614 -6.987 1.00 2.09 O ATOM 0 H GLU A 126 19.136 18.217 -6.534 1.00 1.02 H new ATOM 0 HA GLU A 126 16.725 17.254 -8.066 1.00 1.08 H new ATOM 0 HB2 GLU A 126 16.744 19.138 -6.304 1.00 1.34 H new ATOM 0 HB3 GLU A 126 17.867 20.013 -7.325 1.00 1.34 H new ATOM 0 HG2 GLU A 126 15.756 20.910 -7.958 1.00 1.45 H new ATOM 0 HG3 GLU A 126 16.081 19.739 -9.220 1.00 1.45 H new ATOM 581 N THR A 127 18.445 17.101 -10.025 1.00 1.09 N ATOM 582 CA THR A 127 19.048 17.225 -11.392 1.00 1.21 C ATOM 583 C THR A 127 17.953 17.080 -12.462 1.00 1.29 C ATOM 584 O THR A 127 17.958 16.153 -13.251 1.00 1.60 O ATOM 585 CB THR A 127 20.070 16.081 -11.494 1.00 1.57 C ATOM 586 OG1 THR A 127 19.499 14.878 -10.993 1.00 1.91 O ATOM 587 CG2 THR A 127 21.320 16.427 -10.680 1.00 2.18 C ATOM 0 H THR A 127 18.285 16.144 -9.709 1.00 1.09 H new ATOM 0 HA THR A 127 19.521 18.194 -11.550 1.00 1.21 H new ATOM 0 HB THR A 127 20.345 15.944 -12.540 1.00 1.57 H new ATOM 0 HG1 THR A 127 20.153 14.152 -11.062 1.00 1.91 H new ATOM 0 HG21 THR A 127 22.041 15.613 -10.756 1.00 2.18 H new ATOM 0 HG22 THR A 127 21.765 17.343 -11.068 1.00 2.18 H new ATOM 0 HG23 THR A 127 21.045 16.572 -9.635 1.00 2.18 H new ATOM 595 N ILE A 128 17.013 17.996 -12.485 1.00 1.08 N ATOM 596 CA ILE A 128 15.899 17.930 -13.490 1.00 1.20 C ATOM 597 C ILE A 128 15.614 19.318 -14.081 1.00 1.18 C ATOM 598 O ILE A 128 16.194 20.310 -13.677 1.00 1.15 O ATOM 599 CB ILE A 128 14.669 17.425 -12.714 1.00 1.12 C ATOM 600 CG1 ILE A 128 14.454 18.268 -11.447 1.00 1.32 C ATOM 601 CG2 ILE A 128 14.872 15.960 -12.319 1.00 1.62 C ATOM 602 CD1 ILE A 128 13.241 19.182 -11.631 1.00 2.03 C ATOM 0 H ILE A 128 16.968 18.791 -11.848 1.00 1.08 H new ATOM 0 HA ILE A 128 16.155 17.275 -14.323 1.00 1.20 H new ATOM 0 HB ILE A 128 13.792 17.514 -13.355 1.00 1.12 H new ATOM 0 HG12 ILE A 128 14.302 17.616 -10.587 1.00 1.32 H new ATOM 0 HG13 ILE A 128 15.343 18.865 -11.241 1.00 1.32 H new ATOM 0 HG21 ILE A 128 13.999 15.607 -11.770 1.00 1.62 H new ATOM 0 HG22 ILE A 128 15.005 15.356 -13.217 1.00 1.62 H new ATOM 0 HG23 ILE A 128 15.757 15.872 -11.689 1.00 1.62 H new ATOM 0 HD11 ILE A 128 13.094 19.777 -10.730 1.00 2.03 H new ATOM 0 HD12 ILE A 128 13.410 19.845 -12.480 1.00 2.03 H new ATOM 0 HD13 ILE A 128 12.354 18.576 -11.815 1.00 2.03 H new ATOM 614 N THR A 129 14.711 19.391 -15.027 1.00 1.34 N ATOM 615 CA THR A 129 14.363 20.709 -15.647 1.00 1.42 C ATOM 616 C THR A 129 12.881 21.035 -15.394 1.00 1.16 C ATOM 617 O THR A 129 12.221 20.385 -14.604 1.00 0.97 O ATOM 618 CB THR A 129 14.649 20.544 -17.148 1.00 1.64 C ATOM 619 OG1 THR A 129 14.515 21.804 -17.791 1.00 2.23 O ATOM 620 CG2 THR A 129 13.669 19.547 -17.772 1.00 2.28 C ATOM 0 H THR A 129 14.197 18.592 -15.399 1.00 1.34 H new ATOM 0 HA THR A 129 14.941 21.531 -15.225 1.00 1.42 H new ATOM 0 HB THR A 129 15.663 20.166 -17.276 1.00 1.64 H new ATOM 0 HG1 THR A 129 14.698 21.704 -18.749 1.00 2.23 H new ATOM 0 HG21 THR A 129 13.885 19.441 -18.835 1.00 2.28 H new ATOM 0 HG22 THR A 129 13.774 18.579 -17.283 1.00 2.28 H new ATOM 0 HG23 THR A 129 12.649 19.910 -17.643 1.00 2.28 H new ATOM 628 N GLU A 130 12.358 22.040 -16.055 1.00 1.31 N ATOM 629 CA GLU A 130 10.919 22.420 -15.853 1.00 1.28 C ATOM 630 C GLU A 130 9.980 21.261 -16.230 1.00 1.16 C ATOM 631 O GLU A 130 8.974 21.042 -15.581 1.00 1.21 O ATOM 632 CB GLU A 130 10.684 23.640 -16.758 1.00 1.69 C ATOM 633 CG GLU A 130 11.012 23.296 -18.218 1.00 2.05 C ATOM 634 CD GLU A 130 11.847 24.419 -18.835 1.00 2.43 C ATOM 635 OE1 GLU A 130 11.262 25.398 -19.266 1.00 2.70 O ATOM 636 OE2 GLU A 130 13.059 24.279 -18.867 1.00 3.03 O ATOM 0 H GLU A 130 12.865 22.616 -16.727 1.00 1.31 H new ATOM 0 HA GLU A 130 10.709 22.649 -14.808 1.00 1.28 H new ATOM 0 HB2 GLU A 130 9.647 23.965 -16.679 1.00 1.69 H new ATOM 0 HB3 GLU A 130 11.305 24.472 -16.426 1.00 1.69 H new ATOM 0 HG2 GLU A 130 11.559 22.354 -18.266 1.00 2.05 H new ATOM 0 HG3 GLU A 130 10.092 23.160 -18.786 1.00 2.05 H new ATOM 643 N ASP A 131 10.303 20.511 -17.260 1.00 1.18 N ATOM 644 CA ASP A 131 9.431 19.361 -17.664 1.00 1.19 C ATOM 645 C ASP A 131 9.259 18.387 -16.491 1.00 1.07 C ATOM 646 O ASP A 131 8.183 17.873 -16.256 1.00 1.14 O ATOM 647 CB ASP A 131 10.170 18.682 -18.822 1.00 1.44 C ATOM 648 CG ASP A 131 9.779 19.349 -20.142 1.00 1.48 C ATOM 649 OD1 ASP A 131 10.275 20.431 -20.406 1.00 1.91 O ATOM 650 OD2 ASP A 131 8.992 18.764 -20.867 1.00 2.07 O ATOM 0 H ASP A 131 11.133 20.646 -17.837 1.00 1.18 H new ATOM 0 HA ASP A 131 8.433 19.687 -17.956 1.00 1.19 H new ATOM 0 HB2 ASP A 131 11.247 18.754 -18.671 1.00 1.44 H new ATOM 0 HB3 ASP A 131 9.923 17.621 -18.852 1.00 1.44 H new ATOM 655 N ASP A 132 10.313 18.143 -15.750 1.00 1.00 N ATOM 656 CA ASP A 132 10.223 17.211 -14.583 1.00 1.03 C ATOM 657 C ASP A 132 9.298 17.790 -13.504 1.00 0.88 C ATOM 658 O ASP A 132 8.519 17.075 -12.901 1.00 1.03 O ATOM 659 CB ASP A 132 11.654 17.097 -14.056 1.00 1.13 C ATOM 660 CG ASP A 132 12.500 16.284 -15.036 1.00 1.39 C ATOM 661 OD1 ASP A 132 12.348 15.076 -15.060 1.00 1.99 O ATOM 662 OD2 ASP A 132 13.288 16.887 -15.746 1.00 1.79 O ATOM 0 H ASP A 132 11.235 18.551 -15.904 1.00 1.00 H new ATOM 0 HA ASP A 132 9.811 16.242 -14.863 1.00 1.03 H new ATOM 0 HB2 ASP A 132 12.084 18.090 -13.926 1.00 1.13 H new ATOM 0 HB3 ASP A 132 11.654 16.619 -13.077 1.00 1.13 H new ATOM 667 N ILE A 133 9.375 19.081 -13.264 1.00 0.75 N ATOM 668 CA ILE A 133 8.490 19.710 -12.227 1.00 0.77 C ATOM 669 C ILE A 133 7.022 19.380 -12.535 1.00 0.70 C ATOM 670 O ILE A 133 6.284 18.931 -11.678 1.00 0.82 O ATOM 671 CB ILE A 133 8.724 21.230 -12.322 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.220 21.562 -12.187 1.00 0.96 C ATOM 673 CG2 ILE A 133 7.957 21.934 -11.196 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.762 21.021 -10.860 1.00 1.00 C ATOM 0 H ILE A 133 10.009 19.723 -13.739 1.00 0.75 H new ATOM 0 HA ILE A 133 8.715 19.340 -11.227 1.00 0.77 H new ATOM 0 HB ILE A 133 8.371 21.573 -13.295 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.773 21.127 -13.019 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.367 22.641 -12.236 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.121 23.010 -11.261 1.00 1.06 H new ATOM 0 HG22 ILE A 133 6.892 21.723 -11.294 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.312 21.571 -10.232 1.00 1.06 H new ATOM 0 HD11 ILE A 133 11.822 21.261 -10.775 1.00 1.00 H new ATOM 0 HD12 ILE A 133 10.219 21.477 -10.032 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.632 19.939 -10.828 1.00 1.00 H new ATOM 686 N GLU A 134 6.601 19.596 -13.757 1.00 0.61 N ATOM 687 CA GLU A 134 5.185 19.293 -14.134 1.00 0.64 C ATOM 688 C GLU A 134 4.979 17.780 -14.324 1.00 0.64 C ATOM 689 O GLU A 134 3.883 17.277 -14.152 1.00 0.76 O ATOM 690 CB GLU A 134 4.953 20.045 -15.447 1.00 0.73 C ATOM 691 CG GLU A 134 4.605 21.506 -15.138 1.00 0.89 C ATOM 692 CD GLU A 134 5.610 22.435 -15.822 1.00 1.21 C ATOM 693 OE1 GLU A 134 6.632 22.718 -15.218 1.00 1.86 O ATOM 694 OE2 GLU A 134 5.339 22.850 -16.936 1.00 1.87 O ATOM 0 H GLU A 134 7.178 19.970 -14.511 1.00 0.61 H new ATOM 0 HA GLU A 134 4.483 19.601 -13.359 1.00 0.64 H new ATOM 0 HB2 GLU A 134 5.846 19.996 -16.071 1.00 0.73 H new ATOM 0 HB3 GLU A 134 4.145 19.578 -16.010 1.00 0.73 H new ATOM 0 HG2 GLU A 134 3.596 21.730 -15.484 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.617 21.672 -14.061 1.00 0.89 H new ATOM 701 N GLU A 135 6.021 17.047 -14.662 1.00 0.59 N ATOM 702 CA GLU A 135 5.874 15.565 -14.842 1.00 0.67 C ATOM 703 C GLU A 135 5.426 14.923 -13.524 1.00 0.74 C ATOM 704 O GLU A 135 4.655 13.983 -13.512 1.00 0.91 O ATOM 705 CB GLU A 135 7.264 15.054 -15.244 1.00 0.72 C ATOM 706 CG GLU A 135 7.188 14.369 -16.615 1.00 1.16 C ATOM 707 CD GLU A 135 6.140 13.252 -16.586 1.00 1.56 C ATOM 708 OE1 GLU A 135 6.357 12.277 -15.885 1.00 2.29 O ATOM 709 OE2 GLU A 135 5.137 13.389 -17.266 1.00 2.03 O ATOM 0 H GLU A 135 6.961 17.411 -14.820 1.00 0.59 H new ATOM 0 HA GLU A 135 5.127 15.317 -15.596 1.00 0.67 H new ATOM 0 HB2 GLU A 135 7.970 15.883 -15.280 1.00 0.72 H new ATOM 0 HB3 GLU A 135 7.634 14.352 -14.496 1.00 0.72 H new ATOM 0 HG2 GLU A 135 6.931 15.100 -17.382 1.00 1.16 H new ATOM 0 HG3 GLU A 135 8.162 13.958 -16.880 1.00 1.16 H new ATOM 716 N LEU A 136 5.891 15.438 -12.411 1.00 0.73 N ATOM 717 CA LEU A 136 5.474 14.875 -11.090 1.00 0.87 C ATOM 718 C LEU A 136 4.193 15.574 -10.615 1.00 0.81 C ATOM 719 O LEU A 136 3.365 14.984 -9.948 1.00 1.00 O ATOM 720 CB LEU A 136 6.637 15.166 -10.126 1.00 0.99 C ATOM 721 CG LEU A 136 7.868 14.301 -10.456 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.556 13.890 -9.152 1.00 1.74 C ATOM 723 CD2 LEU A 136 7.455 13.037 -11.222 1.00 1.75 C ATOM 0 H LEU A 136 6.540 16.223 -12.361 1.00 0.73 H new ATOM 0 HA LEU A 136 5.265 13.807 -11.145 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.905 16.221 -10.184 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.319 14.974 -9.101 1.00 0.99 H new ATOM 0 HG LEU A 136 8.547 14.883 -11.078 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.429 13.277 -9.378 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.870 14.782 -8.609 1.00 1.74 H new ATOM 0 HD13 LEU A 136 7.860 13.318 -8.538 1.00 1.74 H new ATOM 0 HD21 LEU A 136 8.340 12.441 -11.445 1.00 1.75 H new ATOM 0 HD22 LEU A 136 6.767 12.451 -10.613 1.00 1.75 H new ATOM 0 HD23 LEU A 136 6.964 13.320 -12.153 1.00 1.75 H new ATOM 735 N MET A 137 4.023 16.830 -10.962 1.00 0.67 N ATOM 736 CA MET A 137 2.796 17.575 -10.537 1.00 0.71 C ATOM 737 C MET A 137 1.535 16.971 -11.174 1.00 0.68 C ATOM 738 O MET A 137 0.474 17.012 -10.589 1.00 0.70 O ATOM 739 CB MET A 137 3.000 19.014 -11.019 1.00 0.82 C ATOM 740 CG MET A 137 2.664 19.987 -9.883 1.00 0.99 C ATOM 741 SD MET A 137 0.938 20.516 -10.032 1.00 0.94 S ATOM 742 CE MET A 137 0.658 20.910 -8.286 1.00 0.53 C ATOM 0 H MET A 137 4.683 17.370 -11.522 1.00 0.67 H new ATOM 0 HA MET A 137 2.655 17.523 -9.457 1.00 0.71 H new ATOM 0 HB2 MET A 137 4.031 19.158 -11.342 1.00 0.82 H new ATOM 0 HB3 MET A 137 2.365 19.213 -11.882 1.00 0.82 H new ATOM 0 HG2 MET A 137 2.826 19.506 -8.918 1.00 0.99 H new ATOM 0 HG3 MET A 137 3.326 20.852 -9.923 1.00 0.99 H new ATOM 0 HE1 MET A 137 -0.266 20.440 -7.951 1.00 0.53 H new ATOM 0 HE2 MET A 137 1.491 20.537 -7.691 1.00 0.53 H new ATOM 0 HE3 MET A 137 0.580 21.990 -8.165 1.00 0.53 H new ATOM 752 N LYS A 138 1.633 16.405 -12.359 1.00 0.76 N ATOM 753 CA LYS A 138 0.414 15.800 -12.991 1.00 0.82 C ATOM 754 C LYS A 138 -0.086 14.632 -12.134 1.00 0.72 C ATOM 755 O LYS A 138 -1.275 14.423 -11.997 1.00 0.84 O ATOM 756 CB LYS A 138 0.842 15.315 -14.384 1.00 0.99 C ATOM 757 CG LYS A 138 1.736 14.075 -14.268 1.00 1.57 C ATOM 758 CD LYS A 138 2.412 13.791 -15.613 1.00 2.09 C ATOM 759 CE LYS A 138 2.546 12.274 -15.812 1.00 2.74 C ATOM 760 NZ LYS A 138 3.657 11.842 -14.910 1.00 3.43 N1+ ATOM 0 H LYS A 138 2.491 16.337 -12.907 1.00 0.76 H new ATOM 0 HA LYS A 138 -0.401 16.519 -13.069 1.00 0.82 H new ATOM 0 HB2 LYS A 138 -0.039 15.081 -14.981 1.00 0.99 H new ATOM 0 HB3 LYS A 138 1.377 16.110 -14.904 1.00 0.99 H new ATOM 0 HG2 LYS A 138 2.491 14.231 -13.498 1.00 1.57 H new ATOM 0 HG3 LYS A 138 1.141 13.215 -13.961 1.00 1.57 H new ATOM 0 HD2 LYS A 138 1.827 14.224 -16.424 1.00 2.09 H new ATOM 0 HD3 LYS A 138 3.395 14.260 -15.644 1.00 2.09 H new ATOM 0 HE2 LYS A 138 1.617 11.763 -15.560 1.00 2.74 H new ATOM 0 HE3 LYS A 138 2.770 12.034 -16.851 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 4.343 11.277 -15.450 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 4.132 12.680 -14.518 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 3.271 11.268 -14.134 1.00 3.43 H new ATOM 774 N ASP A 139 0.817 13.885 -11.541 1.00 0.75 N ATOM 775 CA ASP A 139 0.400 12.747 -10.672 1.00 0.78 C ATOM 776 C ASP A 139 0.024 13.287 -9.288 1.00 0.70 C ATOM 777 O ASP A 139 -0.941 12.857 -8.685 1.00 0.81 O ATOM 778 CB ASP A 139 1.620 11.823 -10.593 1.00 0.97 C ATOM 779 CG ASP A 139 1.681 10.934 -11.839 1.00 1.16 C ATOM 780 OD1 ASP A 139 0.679 10.312 -12.155 1.00 1.69 O ATOM 781 OD2 ASP A 139 2.731 10.888 -12.455 1.00 1.66 O ATOM 0 H ASP A 139 1.825 14.018 -11.624 1.00 0.75 H new ATOM 0 HA ASP A 139 -0.467 12.212 -11.060 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.531 12.415 -10.513 1.00 0.97 H new ATOM 0 HB3 ASP A 139 1.562 11.205 -9.697 1.00 0.97 H new ATOM 786 N GLY A 140 0.770 14.253 -8.799 1.00 0.64 N ATOM 787 CA GLY A 140 0.452 14.860 -7.473 1.00 0.62 C ATOM 788 C GLY A 140 -0.905 15.562 -7.572 1.00 0.57 C ATOM 789 O GLY A 140 -1.737 15.444 -6.695 1.00 0.65 O ATOM 0 H GLY A 140 1.587 14.645 -9.267 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.425 14.091 -6.701 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.226 15.572 -7.187 1.00 0.62 H new ATOM 793 N ASP A 141 -1.132 16.280 -8.651 1.00 0.56 N ATOM 794 CA ASP A 141 -2.433 16.990 -8.847 1.00 0.56 C ATOM 795 C ASP A 141 -3.001 16.688 -10.241 1.00 0.58 C ATOM 796 O ASP A 141 -2.778 17.425 -11.186 1.00 0.64 O ATOM 797 CB ASP A 141 -2.102 18.487 -8.724 1.00 0.60 C ATOM 798 CG ASP A 141 -3.370 19.296 -8.419 1.00 0.75 C ATOM 799 OD1 ASP A 141 -4.457 18.816 -8.705 1.00 1.14 O ATOM 800 OD2 ASP A 141 -3.232 20.389 -7.903 1.00 1.23 O ATOM 0 H ASP A 141 -0.461 16.403 -9.410 1.00 0.56 H new ATOM 0 HA ASP A 141 -3.180 16.675 -8.119 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -1.368 18.639 -7.933 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.651 18.843 -9.650 1.00 0.60 H new ATOM 805 N LYS A 142 -3.746 15.621 -10.375 1.00 0.62 N ATOM 806 CA LYS A 142 -4.338 15.295 -11.711 1.00 0.70 C ATOM 807 C LYS A 142 -5.456 16.297 -12.056 1.00 0.79 C ATOM 808 O LYS A 142 -5.846 16.423 -13.201 1.00 0.92 O ATOM 809 CB LYS A 142 -4.896 13.875 -11.580 1.00 0.79 C ATOM 810 CG LYS A 142 -4.012 12.904 -12.370 1.00 0.88 C ATOM 811 CD LYS A 142 -3.096 12.144 -11.406 1.00 1.37 C ATOM 812 CE LYS A 142 -3.175 10.644 -11.689 1.00 1.79 C ATOM 813 NZ LYS A 142 -1.984 10.057 -11.009 1.00 2.44 N1+ ATOM 0 H LYS A 142 -3.970 14.966 -9.626 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.601 15.358 -12.511 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.930 13.581 -10.531 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.919 13.839 -11.954 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -4.633 12.202 -12.927 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -3.415 13.451 -13.100 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -2.069 12.491 -11.517 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -3.390 12.345 -10.376 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -4.100 10.218 -11.301 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -3.156 10.443 -12.760 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -2.113 9.030 -10.907 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -1.133 10.244 -11.577 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -1.874 10.487 -10.068 1.00 2.44 H new ATOM 827 N ASN A 143 -5.955 17.023 -11.079 1.00 0.80 N ATOM 828 CA ASN A 143 -7.027 18.035 -11.356 1.00 0.95 C ATOM 829 C ASN A 143 -6.388 19.328 -11.886 1.00 0.92 C ATOM 830 O ASN A 143 -7.020 20.099 -12.582 1.00 1.08 O ATOM 831 CB ASN A 143 -7.722 18.298 -10.009 1.00 1.07 C ATOM 832 CG ASN A 143 -7.959 16.983 -9.258 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.762 16.170 -9.668 1.00 1.95 O ATOM 834 ND2 ASN A 143 -7.287 16.739 -8.166 1.00 1.70 N ATOM 0 H ASN A 143 -5.666 16.958 -10.103 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.737 17.682 -12.104 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -7.110 18.964 -9.402 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -8.673 18.804 -10.177 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -7.437 15.867 -7.659 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -6.612 17.421 -7.820 1.00 1.70 H new ATOM 841 N ASN A 144 -5.131 19.557 -11.560 1.00 0.86 N ATOM 842 CA ASN A 144 -4.406 20.781 -12.032 1.00 0.93 C ATOM 843 C ASN A 144 -4.987 22.064 -11.411 1.00 1.03 C ATOM 844 O ASN A 144 -5.019 23.105 -12.042 1.00 1.71 O ATOM 845 CB ASN A 144 -4.555 20.779 -13.559 1.00 1.08 C ATOM 846 CG ASN A 144 -3.321 21.422 -14.192 1.00 1.49 C ATOM 847 OD1 ASN A 144 -3.405 22.480 -14.779 1.00 2.18 O ATOM 848 ND2 ASN A 144 -2.168 20.820 -14.097 1.00 1.97 N ATOM 0 H ASN A 144 -4.572 18.935 -10.977 1.00 0.86 H new ATOM 0 HA ASN A 144 -3.359 20.764 -11.729 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -4.673 19.758 -13.922 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -5.452 21.326 -13.848 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -1.338 21.239 -14.516 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -2.096 19.930 -13.604 1.00 1.97 H new ATOM 855 N ASP A 145 -5.413 22.008 -10.171 1.00 0.88 N ATOM 856 CA ASP A 145 -5.954 23.242 -9.509 1.00 0.92 C ATOM 857 C ASP A 145 -4.795 24.097 -8.954 1.00 0.91 C ATOM 858 O ASP A 145 -4.965 25.266 -8.658 1.00 1.07 O ATOM 859 CB ASP A 145 -6.898 22.770 -8.381 1.00 0.93 C ATOM 860 CG ASP A 145 -6.274 21.630 -7.572 1.00 1.40 C ATOM 861 OD1 ASP A 145 -5.439 21.906 -6.727 1.00 2.06 O ATOM 862 OD2 ASP A 145 -6.655 20.496 -7.804 1.00 1.89 O ATOM 0 H ASP A 145 -5.411 21.169 -9.591 1.00 0.88 H new ATOM 0 HA ASP A 145 -6.499 23.867 -10.216 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -7.124 23.606 -7.720 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.843 22.439 -8.810 1.00 0.93 H new ATOM 867 N GLY A 146 -3.612 23.530 -8.834 1.00 0.84 N ATOM 868 CA GLY A 146 -2.444 24.317 -8.328 1.00 0.92 C ATOM 869 C GLY A 146 -2.122 23.970 -6.866 1.00 0.66 C ATOM 870 O GLY A 146 -1.267 24.592 -6.265 1.00 0.74 O ATOM 0 H GLY A 146 -3.409 22.557 -9.065 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -1.572 24.117 -8.951 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -2.658 25.382 -8.411 1.00 0.92 H new ATOM 874 N ARG A 147 -2.782 22.996 -6.282 1.00 0.56 N ATOM 875 CA ARG A 147 -2.481 22.646 -4.858 1.00 0.54 C ATOM 876 C ARG A 147 -2.409 21.125 -4.666 1.00 0.46 C ATOM 877 O ARG A 147 -3.314 20.402 -5.031 1.00 0.45 O ATOM 878 CB ARG A 147 -3.647 23.221 -4.046 1.00 0.77 C ATOM 879 CG ARG A 147 -3.544 24.748 -3.990 1.00 1.39 C ATOM 880 CD ARG A 147 -4.559 25.363 -4.960 1.00 1.79 C ATOM 881 NE ARG A 147 -4.183 26.803 -5.056 1.00 2.55 N ATOM 882 CZ ARG A 147 -3.106 27.160 -5.698 1.00 2.87 C ATOM 883 NH1 ARG A 147 -3.151 27.363 -6.985 1.00 3.10 N ATOM 884 NH2 ARG A 147 -1.986 27.306 -5.051 1.00 3.37 N1+ ATOM 0 H ARG A 147 -3.509 22.434 -6.726 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.517 23.048 -4.546 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -4.595 22.929 -4.498 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -3.635 22.810 -3.036 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -3.735 25.099 -2.976 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -2.535 25.065 -4.253 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -4.515 24.879 -5.935 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -5.578 25.246 -4.591 1.00 1.79 H new ATOM 0 HE ARG A 147 -4.771 27.512 -4.617 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -4.029 27.243 -7.490 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -2.308 27.642 -7.487 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -1.953 27.141 -4.045 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -1.141 27.585 -5.550 1.00 3.37 H new ATOM 898 N ILE A 148 -1.345 20.641 -4.071 1.00 0.49 N ATOM 899 CA ILE A 148 -1.215 19.170 -3.826 1.00 0.44 C ATOM 900 C ILE A 148 -1.355 18.888 -2.323 1.00 0.46 C ATOM 901 O ILE A 148 -0.675 19.480 -1.507 1.00 0.63 O ATOM 902 CB ILE A 148 0.180 18.795 -4.346 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.135 18.671 -5.873 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.622 17.456 -3.751 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.492 18.189 -6.397 1.00 0.63 C ATOM 0 H ILE A 148 -0.559 21.203 -3.744 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.985 18.585 -4.328 1.00 0.44 H new ATOM 0 HB ILE A 148 0.888 19.571 -4.053 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.648 17.971 -6.167 1.00 0.56 H new ATOM 0 HG13 ILE A 148 -0.115 19.634 -6.318 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.613 17.200 -4.127 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.655 17.534 -2.664 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.087 16.679 -4.038 1.00 0.47 H new ATOM 0 HD11 ILE A 148 1.453 18.103 -7.483 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.265 18.905 -6.117 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.724 17.216 -5.964 1.00 0.63 H new ATOM 917 N ASP A 149 -2.248 18.002 -1.956 1.00 0.48 N ATOM 918 CA ASP A 149 -2.455 17.693 -0.506 1.00 0.53 C ATOM 919 C ASP A 149 -1.924 16.294 -0.149 1.00 0.53 C ATOM 920 O ASP A 149 -1.581 15.506 -1.011 1.00 0.63 O ATOM 921 CB ASP A 149 -3.974 17.755 -0.314 1.00 0.58 C ATOM 922 CG ASP A 149 -4.299 17.946 1.168 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.237 19.073 1.628 1.00 1.84 O ATOM 924 OD2 ASP A 149 -4.602 16.959 1.820 1.00 1.65 O ATOM 0 H ASP A 149 -2.843 17.479 -2.598 1.00 0.48 H new ATOM 0 HA ASP A 149 -1.920 18.391 0.138 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.391 18.577 -0.896 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.434 16.838 -0.682 1.00 0.58 H new ATOM 929 N TYR A 150 -1.867 15.988 1.127 1.00 0.58 N ATOM 930 CA TYR A 150 -1.375 14.645 1.577 1.00 0.60 C ATOM 931 C TYR A 150 -2.274 13.530 1.018 1.00 0.59 C ATOM 932 O TYR A 150 -1.799 12.478 0.632 1.00 0.63 O ATOM 933 CB TYR A 150 -1.467 14.695 3.108 1.00 0.73 C ATOM 934 CG TYR A 150 -0.751 13.509 3.713 1.00 0.72 C ATOM 935 CD1 TYR A 150 -1.412 12.281 3.840 1.00 1.22 C ATOM 936 CD2 TYR A 150 0.571 13.639 4.151 1.00 1.15 C ATOM 937 CE1 TYR A 150 -0.750 11.186 4.407 1.00 1.56 C ATOM 938 CE2 TYR A 150 1.233 12.544 4.717 1.00 1.43 C ATOM 939 CZ TYR A 150 0.574 11.317 4.844 1.00 1.48 C ATOM 940 OH TYR A 150 1.230 10.238 5.400 1.00 1.96 O ATOM 0 H TYR A 150 -2.143 16.616 1.882 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.364 14.434 1.230 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -1.026 15.622 3.476 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -2.512 14.694 3.417 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -2.432 12.179 3.501 1.00 1.22 H new ATOM 0 HD2 TYR A 150 1.081 14.586 4.052 1.00 1.15 H new ATOM 0 HE1 TYR A 150 -1.260 10.240 4.508 1.00 1.56 H new ATOM 0 HE2 TYR A 150 2.253 12.646 5.056 1.00 1.43 H new ATOM 0 HH TYR A 150 0.598 9.709 5.930 1.00 1.96 H new ATOM 950 N ASP A 151 -3.566 13.758 0.969 1.00 0.64 N ATOM 951 CA ASP A 151 -4.502 12.719 0.431 1.00 0.70 C ATOM 952 C ASP A 151 -4.245 12.486 -1.065 1.00 0.63 C ATOM 953 O ASP A 151 -4.290 11.367 -1.541 1.00 0.77 O ATOM 954 CB ASP A 151 -5.904 13.297 0.649 1.00 0.79 C ATOM 955 CG ASP A 151 -6.927 12.162 0.701 1.00 1.24 C ATOM 956 OD1 ASP A 151 -7.430 11.797 -0.349 1.00 1.90 O ATOM 957 OD2 ASP A 151 -7.189 11.677 1.788 1.00 1.83 O ATOM 0 H ASP A 151 -4.013 14.621 1.279 1.00 0.64 H new ATOM 0 HA ASP A 151 -4.373 11.757 0.926 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -5.932 13.868 1.577 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.153 13.987 -0.157 1.00 0.79 H new ATOM 962 N GLU A 152 -3.967 13.532 -1.806 1.00 0.54 N ATOM 963 CA GLU A 152 -3.699 13.372 -3.268 1.00 0.56 C ATOM 964 C GLU A 152 -2.282 12.818 -3.489 1.00 0.52 C ATOM 965 O GLU A 152 -1.996 12.201 -4.498 1.00 0.65 O ATOM 966 CB GLU A 152 -3.844 14.782 -3.850 1.00 0.60 C ATOM 967 CG GLU A 152 -5.304 15.233 -3.714 1.00 0.77 C ATOM 968 CD GLU A 152 -5.519 16.550 -4.459 1.00 0.72 C ATOM 969 OE1 GLU A 152 -5.836 16.501 -5.636 1.00 1.17 O ATOM 970 OE2 GLU A 152 -5.363 17.590 -3.842 1.00 1.40 O ATOM 0 H GLU A 152 -3.914 14.490 -1.460 1.00 0.54 H new ATOM 0 HA GLU A 152 -4.381 12.670 -3.747 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.186 15.475 -3.326 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -3.544 14.789 -4.898 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -5.968 14.467 -4.115 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.558 15.356 -2.661 1.00 0.77 H new ATOM 977 N PHE A 153 -1.399 13.022 -2.540 1.00 0.46 N ATOM 978 CA PHE A 153 -0.002 12.501 -2.667 1.00 0.46 C ATOM 979 C PHE A 153 0.009 10.959 -2.689 1.00 0.50 C ATOM 980 O PHE A 153 0.925 10.352 -3.212 1.00 0.64 O ATOM 981 CB PHE A 153 0.710 13.028 -1.417 1.00 0.49 C ATOM 982 CG PHE A 153 2.184 12.701 -1.475 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.953 13.098 -2.573 1.00 0.52 C ATOM 984 CD2 PHE A 153 2.780 12.012 -0.418 1.00 0.62 C ATOM 985 CE1 PHE A 153 4.318 12.801 -2.614 1.00 0.61 C ATOM 986 CE2 PHE A 153 4.147 11.714 -0.456 1.00 0.73 C ATOM 987 CZ PHE A 153 4.917 12.109 -1.555 1.00 0.68 C ATOM 0 H PHE A 153 -1.589 13.531 -1.677 1.00 0.46 H new ATOM 0 HA PHE A 153 0.479 12.822 -3.591 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.573 14.107 -1.340 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.267 12.586 -0.525 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.492 13.634 -3.389 1.00 0.52 H new ATOM 0 HD2 PHE A 153 2.185 11.708 0.431 1.00 0.62 H new ATOM 0 HE1 PHE A 153 4.911 13.106 -3.464 1.00 0.61 H new ATOM 0 HE2 PHE A 153 4.607 11.180 0.362 1.00 0.73 H new ATOM 0 HZ PHE A 153 5.972 11.880 -1.586 1.00 0.68 H new ATOM 997 N LEU A 154 -0.998 10.325 -2.122 1.00 0.53 N ATOM 998 CA LEU A 154 -1.045 8.823 -2.103 1.00 0.62 C ATOM 999 C LEU A 154 -0.977 8.254 -3.529 1.00 0.65 C ATOM 1000 O LEU A 154 -0.129 7.438 -3.837 1.00 0.83 O ATOM 1001 CB LEU A 154 -2.391 8.467 -1.449 1.00 0.75 C ATOM 1002 CG LEU A 154 -2.170 7.929 -0.028 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -1.215 6.730 -0.055 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -1.578 9.033 0.850 1.00 1.20 C ATOM 0 H LEU A 154 -1.789 10.785 -1.672 1.00 0.53 H new ATOM 0 HA LEU A 154 -0.200 8.402 -1.558 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -3.031 9.349 -1.415 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -2.909 7.720 -2.051 1.00 0.75 H new ATOM 0 HG LEU A 154 -3.128 7.608 0.380 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -1.068 6.359 0.959 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -1.641 5.939 -0.672 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -0.256 7.038 -0.471 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -1.421 8.651 1.859 1.00 1.20 H new ATOM 0 HD22 LEU A 154 -0.625 9.358 0.433 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -2.266 9.878 0.885 1.00 1.20 H new ATOM 1016 N GLU A 155 -1.860 8.679 -4.400 1.00 0.69 N ATOM 1017 CA GLU A 155 -1.843 8.167 -5.809 1.00 0.81 C ATOM 1018 C GLU A 155 -0.538 8.581 -6.508 1.00 0.76 C ATOM 1019 O GLU A 155 0.023 7.832 -7.288 1.00 0.90 O ATOM 1020 CB GLU A 155 -3.056 8.822 -6.478 1.00 0.97 C ATOM 1021 CG GLU A 155 -3.107 8.442 -7.962 1.00 1.41 C ATOM 1022 CD GLU A 155 -3.980 9.445 -8.717 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -3.685 10.628 -8.651 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -4.925 9.014 -9.355 1.00 2.77 O ATOM 0 H GLU A 155 -2.593 9.359 -4.197 1.00 0.69 H new ATOM 0 HA GLU A 155 -1.891 7.079 -5.860 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -3.972 8.503 -5.981 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.998 9.905 -6.374 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -2.101 8.433 -8.380 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -3.509 7.435 -8.077 1.00 1.41 H new ATOM 1031 N PHE A 156 -0.047 9.765 -6.224 1.00 0.66 N ATOM 1032 CA PHE A 156 1.227 10.236 -6.858 1.00 0.77 C ATOM 1033 C PHE A 156 2.409 9.356 -6.414 1.00 0.71 C ATOM 1034 O PHE A 156 3.348 9.158 -7.161 1.00 0.88 O ATOM 1035 CB PHE A 156 1.407 11.678 -6.364 1.00 0.84 C ATOM 1036 CG PHE A 156 2.833 12.132 -6.591 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.214 12.667 -7.825 1.00 1.09 C ATOM 1038 CD2 PHE A 156 3.772 12.015 -5.562 1.00 1.49 C ATOM 1039 CE1 PHE A 156 4.533 13.085 -8.031 1.00 1.31 C ATOM 1040 CE2 PHE A 156 5.091 12.433 -5.768 1.00 1.72 C ATOM 1041 CZ PHE A 156 5.471 12.968 -7.002 1.00 1.53 C ATOM 0 H PHE A 156 -0.476 10.428 -5.578 1.00 0.66 H new ATOM 0 HA PHE A 156 1.190 10.180 -7.946 1.00 0.77 H new ATOM 0 HB2 PHE A 156 0.719 12.339 -6.890 1.00 0.84 H new ATOM 0 HB3 PHE A 156 1.162 11.741 -5.304 1.00 0.84 H new ATOM 0 HD1 PHE A 156 2.489 12.758 -8.620 1.00 1.09 H new ATOM 0 HD2 PHE A 156 3.479 11.602 -4.608 1.00 1.49 H new ATOM 0 HE1 PHE A 156 4.826 13.498 -8.985 1.00 1.31 H new ATOM 0 HE2 PHE A 156 5.816 12.342 -4.973 1.00 1.72 H new ATOM 0 HZ PHE A 156 6.489 13.291 -7.160 1.00 1.53 H new ATOM 1051 N MET A 157 2.373 8.834 -5.209 1.00 0.61 N ATOM 1052 CA MET A 157 3.500 7.970 -4.721 1.00 0.69 C ATOM 1053 C MET A 157 3.779 6.827 -5.714 1.00 0.83 C ATOM 1054 O MET A 157 4.915 6.455 -5.933 1.00 1.17 O ATOM 1055 CB MET A 157 3.031 7.417 -3.372 1.00 0.84 C ATOM 1056 CG MET A 157 3.583 8.287 -2.239 1.00 0.92 C ATOM 1057 SD MET A 157 5.127 7.566 -1.626 1.00 1.56 S ATOM 1058 CE MET A 157 6.246 8.824 -2.286 1.00 0.90 C ATOM 0 H MET A 157 1.613 8.968 -4.542 1.00 0.61 H new ATOM 0 HA MET A 157 4.430 8.531 -4.626 1.00 0.69 H new ATOM 0 HB2 MET A 157 1.942 7.400 -3.333 1.00 0.84 H new ATOM 0 HB3 MET A 157 3.370 6.388 -3.252 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.759 9.301 -2.597 1.00 0.92 H new ATOM 0 HG3 MET A 157 2.855 8.356 -1.431 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.038 8.342 -2.859 1.00 0.90 H new ATOM 0 HE2 MET A 157 5.690 9.501 -2.934 1.00 0.90 H new ATOM 0 HE3 MET A 157 6.685 9.388 -1.463 1.00 0.90 H new ATOM 1068 N LYS A 158 2.753 6.279 -6.322 1.00 0.86 N ATOM 1069 CA LYS A 158 2.958 5.172 -7.312 1.00 1.07 C ATOM 1070 C LYS A 158 3.678 5.697 -8.569 1.00 1.36 C ATOM 1071 O LYS A 158 4.356 4.956 -9.254 1.00 1.73 O ATOM 1072 CB LYS A 158 1.543 4.686 -7.657 1.00 1.28 C ATOM 1073 CG LYS A 158 1.617 3.499 -8.623 1.00 1.66 C ATOM 1074 CD LYS A 158 2.372 2.343 -7.962 1.00 2.24 C ATOM 1075 CE LYS A 158 3.536 1.907 -8.859 1.00 2.85 C ATOM 1076 NZ LYS A 158 4.752 2.018 -8.002 1.00 3.52 N1+ ATOM 0 H LYS A 158 1.781 6.551 -6.175 1.00 0.86 H new ATOM 0 HA LYS A 158 3.579 4.370 -6.912 1.00 1.07 H new ATOM 0 HB2 LYS A 158 1.019 4.393 -6.748 1.00 1.28 H new ATOM 0 HB3 LYS A 158 0.971 5.497 -8.108 1.00 1.28 H new ATOM 0 HG2 LYS A 158 0.612 3.179 -8.899 1.00 1.66 H new ATOM 0 HG3 LYS A 158 2.121 3.797 -9.543 1.00 1.66 H new ATOM 0 HD2 LYS A 158 2.748 2.652 -6.986 1.00 2.24 H new ATOM 0 HD3 LYS A 158 1.697 1.504 -7.793 1.00 2.24 H new ATOM 0 HE2 LYS A 158 3.397 0.886 -9.216 1.00 2.85 H new ATOM 0 HE3 LYS A 158 3.615 2.545 -9.740 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 5.552 1.549 -8.472 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 4.979 3.021 -7.850 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 4.573 1.561 -7.085 1.00 3.52 H new