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 Set 1.1: A 98 SER OG : rot 76:sc= 0.694 USER MOD Set 1.2: A 150 TYR OH : rot 180:sc= 0.637 USER MOD Set 2.1: A 106 LYS NZ :NH3+ 155:sc= 0 (180deg=0) USER MOD Set 2.2: A 120 MET CE :methyl -178:sc= -8.59! (180deg=-8.91!) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= 0.56 K(o=0.56,f=-0.029) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 173:sc= -0.245 (180deg=-0.274) USER MOD Single : A 122 GLN : amide:sc= -0.706 K(o=-0.71,f=-2.7!) USER MOD Single : A 124 THR OG1 : rot 11:sc= 0.387 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.0452 USER MOD Single : A 129 THR OG1 : rot -101:sc= 0.958 USER MOD Single : A 137 MET CE :methyl -179:sc= -6.33! (180deg=-6.43!) USER MOD Single : A 138 LYS NZ :NH3+ -170:sc= -0.256 (180deg=-0.381) USER MOD Single : A 142 LYS NZ :NH3+ -110:sc= 1.76 (180deg=0.213) USER MOD Single : A 143 ASN : amide:sc= -0.829 K(o=-0.83,f=-0.2) USER MOD Single : A 144 ASN : amide:sc= -0.0339 X(o=-0.034,f=-0.011) USER MOD Single : A 157 MET CE :methyl -167:sc= -3.43! (180deg=-3.99!) USER MOD Single : A 158 LYS NZ :NH3+ 155:sc= 2.04 (180deg=1.39) USER MOD ----------------------------------------------------------------- ATOM 60 N GLU A 94 1.216 4.553 4.800 1.00 1.26 N ATOM 61 CA GLU A 94 0.721 5.907 5.199 1.00 1.17 C ATOM 62 C GLU A 94 1.293 6.343 6.564 1.00 1.12 C ATOM 63 O GLU A 94 1.143 7.484 6.958 1.00 1.09 O ATOM 64 CB GLU A 94 -0.804 5.776 5.261 1.00 1.33 C ATOM 65 CG GLU A 94 -1.415 6.424 4.013 1.00 1.28 C ATOM 66 CD GLU A 94 -2.641 7.254 4.403 1.00 1.44 C ATOM 67 OE1 GLU A 94 -2.457 8.373 4.853 1.00 1.94 O ATOM 68 OE2 GLU A 94 -3.742 6.757 4.245 1.00 2.09 O ATOM 0 HA GLU A 94 1.038 6.671 4.489 1.00 1.17 H new ATOM 0 HB2 GLU A 94 -1.089 4.725 5.317 1.00 1.33 H new ATOM 0 HB3 GLU A 94 -1.186 6.258 6.161 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -0.676 7.059 3.524 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -1.699 5.654 3.295 1.00 1.28 H new ATOM 75 N GLU A 95 1.963 5.463 7.281 1.00 1.19 N ATOM 76 CA GLU A 95 2.548 5.865 8.602 1.00 1.23 C ATOM 77 C GLU A 95 3.805 6.718 8.361 1.00 1.03 C ATOM 78 O GLU A 95 4.031 7.709 9.030 1.00 1.01 O ATOM 79 CB GLU A 95 2.847 4.539 9.341 1.00 1.45 C ATOM 80 CG GLU A 95 4.354 4.228 9.386 1.00 1.90 C ATOM 81 CD GLU A 95 4.700 3.192 8.313 1.00 2.12 C ATOM 82 OE1 GLU A 95 4.522 3.491 7.145 1.00 2.66 O ATOM 83 OE2 GLU A 95 5.142 2.117 8.679 1.00 2.49 O ATOM 0 H GLU A 95 2.127 4.494 7.009 1.00 1.19 H new ATOM 0 HA GLU A 95 1.880 6.480 9.205 1.00 1.23 H new ATOM 0 HB2 GLU A 95 2.459 4.596 10.358 1.00 1.45 H new ATOM 0 HB3 GLU A 95 2.323 3.722 8.845 1.00 1.45 H new ATOM 0 HG2 GLU A 95 4.928 5.140 9.223 1.00 1.90 H new ATOM 0 HG3 GLU A 95 4.628 3.851 10.371 1.00 1.90 H new ATOM 90 N GLU A 96 4.602 6.354 7.386 1.00 1.02 N ATOM 91 CA GLU A 96 5.824 7.150 7.066 1.00 0.94 C ATOM 92 C GLU A 96 5.486 8.172 5.972 1.00 0.79 C ATOM 93 O GLU A 96 6.055 9.246 5.914 1.00 0.82 O ATOM 94 CB GLU A 96 6.848 6.130 6.560 1.00 1.15 C ATOM 95 CG GLU A 96 8.090 6.164 7.454 1.00 1.62 C ATOM 96 CD GLU A 96 9.328 5.827 6.623 1.00 1.99 C ATOM 97 OE1 GLU A 96 9.761 6.678 5.866 1.00 2.18 O ATOM 98 OE2 GLU A 96 9.826 4.721 6.758 1.00 2.78 O ATOM 0 H GLU A 96 4.456 5.535 6.796 1.00 1.02 H new ATOM 0 HA GLU A 96 6.207 7.702 7.924 1.00 0.94 H new ATOM 0 HB2 GLU A 96 6.413 5.131 6.562 1.00 1.15 H new ATOM 0 HB3 GLU A 96 7.123 6.356 5.530 1.00 1.15 H new ATOM 0 HG2 GLU A 96 8.199 7.150 7.905 1.00 1.62 H new ATOM 0 HG3 GLU A 96 7.982 5.450 8.271 1.00 1.62 H new ATOM 105 N LEU A 97 4.547 7.839 5.113 1.00 0.77 N ATOM 106 CA LEU A 97 4.131 8.773 4.018 1.00 0.71 C ATOM 107 C LEU A 97 3.699 10.126 4.603 1.00 0.67 C ATOM 108 O LEU A 97 3.986 11.170 4.047 1.00 0.75 O ATOM 109 CB LEU A 97 2.934 8.079 3.347 1.00 0.80 C ATOM 110 CG LEU A 97 3.233 7.775 1.877 1.00 0.77 C ATOM 111 CD1 LEU A 97 3.145 9.068 1.067 1.00 1.40 C ATOM 112 CD2 LEU A 97 4.633 7.168 1.739 1.00 1.22 C ATOM 0 H LEU A 97 4.047 6.950 5.126 1.00 0.77 H new ATOM 0 HA LEU A 97 4.942 8.974 3.318 1.00 0.71 H new ATOM 0 HB2 LEU A 97 2.703 7.153 3.874 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.052 8.716 3.419 1.00 0.80 H new ATOM 0 HG LEU A 97 2.503 7.058 1.501 1.00 0.77 H new ATOM 0 HD11 LEU A 97 3.357 8.856 0.019 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.142 9.486 1.157 1.00 1.40 H new ATOM 0 HD13 LEU A 97 3.872 9.785 1.447 1.00 1.40 H new ATOM 0 HD21 LEU A 97 4.836 6.955 0.689 1.00 1.22 H new ATOM 0 HD22 LEU A 97 5.374 7.873 2.116 1.00 1.22 H new ATOM 0 HD23 LEU A 97 4.687 6.243 2.313 1.00 1.22 H new ATOM 124 N SER A 98 3.006 10.107 5.720 1.00 0.69 N ATOM 125 CA SER A 98 2.540 11.382 6.354 1.00 0.76 C ATOM 126 C SER A 98 3.714 12.341 6.603 1.00 0.72 C ATOM 127 O SER A 98 3.593 13.535 6.404 1.00 0.77 O ATOM 128 CB SER A 98 1.905 10.960 7.681 1.00 0.92 C ATOM 129 OG SER A 98 0.983 11.959 8.097 1.00 1.57 O ATOM 0 H SER A 98 2.743 9.258 6.221 1.00 0.69 H new ATOM 0 HA SER A 98 1.839 11.915 5.711 1.00 0.76 H new ATOM 0 HB2 SER A 98 1.396 10.003 7.566 1.00 0.92 H new ATOM 0 HB3 SER A 98 2.676 10.822 8.439 1.00 0.92 H new ATOM 0 HG SER A 98 0.167 11.896 7.557 1.00 1.57 H new ATOM 135 N ASP A 99 4.845 11.834 7.034 1.00 0.80 N ATOM 136 CA ASP A 99 6.018 12.728 7.292 1.00 0.86 C ATOM 137 C ASP A 99 6.593 13.260 5.969 1.00 0.81 C ATOM 138 O ASP A 99 6.971 14.413 5.877 1.00 0.91 O ATOM 139 CB ASP A 99 7.036 11.859 8.033 1.00 1.02 C ATOM 140 CG ASP A 99 7.748 12.704 9.088 1.00 1.23 C ATOM 141 OD1 ASP A 99 7.190 12.863 10.163 1.00 1.83 O ATOM 142 OD2 ASP A 99 8.831 13.184 8.804 1.00 1.79 O ATOM 0 H ASP A 99 5.006 10.844 7.218 1.00 0.80 H new ATOM 0 HA ASP A 99 5.744 13.605 7.879 1.00 0.86 H new ATOM 0 HB2 ASP A 99 6.535 11.014 8.505 1.00 1.02 H new ATOM 0 HB3 ASP A 99 7.761 11.448 7.330 1.00 1.02 H new ATOM 147 N LEU A 100 6.636 12.442 4.935 1.00 0.75 N ATOM 148 CA LEU A 100 7.158 12.929 3.613 1.00 0.76 C ATOM 149 C LEU A 100 6.299 14.111 3.125 1.00 0.68 C ATOM 150 O LEU A 100 6.746 14.945 2.366 1.00 0.79 O ATOM 151 CB LEU A 100 7.040 11.734 2.656 1.00 0.86 C ATOM 152 CG LEU A 100 7.965 11.942 1.448 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.154 10.981 1.537 1.00 1.41 C ATOM 154 CD2 LEU A 100 7.193 11.664 0.154 1.00 1.41 C ATOM 0 H LEU A 100 6.335 11.468 4.951 1.00 0.75 H new ATOM 0 HA LEU A 100 8.188 13.280 3.676 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.306 10.813 3.175 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.008 11.625 2.321 1.00 0.86 H new ATOM 0 HG LEU A 100 8.324 12.971 1.448 1.00 0.79 H new ATOM 0 HD11 LEU A 100 9.808 11.131 0.678 1.00 1.41 H new ATOM 0 HD12 LEU A 100 9.710 11.174 2.455 1.00 1.41 H new ATOM 0 HD13 LEU A 100 8.791 9.953 1.541 1.00 1.41 H new ATOM 0 HD21 LEU A 100 7.852 11.812 -0.702 1.00 1.41 H new ATOM 0 HD22 LEU A 100 6.832 10.636 0.160 1.00 1.41 H new ATOM 0 HD23 LEU A 100 6.346 12.346 0.082 1.00 1.41 H new ATOM 166 N PHE A 101 5.072 14.190 3.579 1.00 0.60 N ATOM 167 CA PHE A 101 4.170 15.319 3.184 1.00 0.59 C ATOM 168 C PHE A 101 4.263 16.450 4.225 1.00 0.60 C ATOM 169 O PHE A 101 4.118 17.616 3.909 1.00 0.72 O ATOM 170 CB PHE A 101 2.764 14.706 3.184 1.00 0.61 C ATOM 171 CG PHE A 101 1.731 15.768 2.867 1.00 0.58 C ATOM 172 CD1 PHE A 101 1.370 16.014 1.539 1.00 0.68 C ATOM 173 CD2 PHE A 101 1.132 16.501 3.900 1.00 0.86 C ATOM 174 CE1 PHE A 101 0.415 16.990 1.240 1.00 0.73 C ATOM 175 CE2 PHE A 101 0.174 17.479 3.600 1.00 0.90 C ATOM 176 CZ PHE A 101 -0.183 17.722 2.268 1.00 0.69 C ATOM 0 H PHE A 101 4.651 13.512 4.214 1.00 0.60 H new ATOM 0 HA PHE A 101 4.431 15.750 2.217 1.00 0.59 H new ATOM 0 HB2 PHE A 101 2.709 13.904 2.448 1.00 0.61 H new ATOM 0 HB3 PHE A 101 2.553 14.262 4.157 1.00 0.61 H new ATOM 0 HD1 PHE A 101 1.830 15.449 0.742 1.00 0.68 H new ATOM 0 HD2 PHE A 101 1.408 16.312 4.927 1.00 0.86 H new ATOM 0 HE1 PHE A 101 0.139 17.178 0.213 1.00 0.73 H new ATOM 0 HE2 PHE A 101 -0.288 18.045 4.395 1.00 0.90 H new ATOM 0 HZ PHE A 101 -0.921 18.476 2.036 1.00 0.69 H new ATOM 186 N ARG A 102 4.485 16.094 5.469 1.00 0.67 N ATOM 187 CA ARG A 102 4.569 17.108 6.571 1.00 0.76 C ATOM 188 C ARG A 102 5.768 18.052 6.402 1.00 0.68 C ATOM 189 O ARG A 102 5.611 19.243 6.208 1.00 0.78 O ATOM 190 CB ARG A 102 4.755 16.274 7.843 1.00 0.99 C ATOM 191 CG ARG A 102 3.423 16.110 8.569 1.00 1.30 C ATOM 192 CD ARG A 102 3.624 15.188 9.777 1.00 1.45 C ATOM 193 NE ARG A 102 2.977 13.895 9.408 1.00 2.12 N ATOM 194 CZ ARG A 102 3.118 12.856 10.183 1.00 2.71 C ATOM 195 NH1 ARG A 102 4.298 12.336 10.365 1.00 3.37 N1+ ATOM 196 NH2 ARG A 102 2.077 12.337 10.770 1.00 3.07 N ATOM 0 H ARG A 102 4.614 15.129 5.772 1.00 0.67 H new ATOM 0 HA ARG A 102 3.683 17.742 6.586 1.00 0.76 H new ATOM 0 HB2 ARG A 102 5.161 15.295 7.588 1.00 0.99 H new ATOM 0 HB3 ARG A 102 5.478 16.757 8.500 1.00 0.99 H new ATOM 0 HG2 ARG A 102 3.049 17.081 8.894 1.00 1.30 H new ATOM 0 HG3 ARG A 102 2.676 15.690 7.895 1.00 1.30 H new ATOM 0 HD2 ARG A 102 4.684 15.049 9.992 1.00 1.45 H new ATOM 0 HD3 ARG A 102 3.170 15.612 10.673 1.00 1.45 H new ATOM 0 HE ARG A 102 2.426 13.824 8.552 1.00 2.12 H new ATOM 0 HH11 ARG A 102 5.111 12.742 9.901 1.00 3.37 H new ATOM 0 HH12 ARG A 102 4.409 11.523 10.971 1.00 3.37 H new ATOM 0 HH21 ARG A 102 1.153 12.743 10.623 1.00 3.07 H new ATOM 0 HH22 ARG A 102 2.186 11.524 11.377 1.00 3.07 H new ATOM 210 N MET A 103 6.962 17.529 6.523 1.00 0.71 N ATOM 211 CA MET A 103 8.189 18.383 6.424 1.00 0.75 C ATOM 212 C MET A 103 8.457 18.886 4.995 1.00 0.68 C ATOM 213 O MET A 103 9.361 19.674 4.782 1.00 0.83 O ATOM 214 CB MET A 103 9.333 17.474 6.885 1.00 0.93 C ATOM 215 CG MET A 103 9.409 17.481 8.413 1.00 1.27 C ATOM 216 SD MET A 103 11.013 16.830 8.937 1.00 1.82 S ATOM 217 CE MET A 103 11.328 18.030 10.256 1.00 2.43 C ATOM 0 H MET A 103 7.143 16.539 6.688 1.00 0.71 H new ATOM 0 HA MET A 103 8.079 19.283 7.029 1.00 0.75 H new ATOM 0 HB2 MET A 103 9.172 16.458 6.523 1.00 0.93 H new ATOM 0 HB3 MET A 103 10.277 17.817 6.462 1.00 0.93 H new ATOM 0 HG2 MET A 103 9.275 18.495 8.790 1.00 1.27 H new ATOM 0 HG3 MET A 103 8.604 16.876 8.831 1.00 1.27 H new ATOM 0 HE1 MET A 103 12.287 17.811 10.725 1.00 2.43 H new ATOM 0 HE2 MET A 103 11.351 19.035 9.835 1.00 2.43 H new ATOM 0 HE3 MET A 103 10.536 17.967 11.002 1.00 2.43 H new ATOM 227 N PHE A 104 7.713 18.439 4.012 1.00 0.68 N ATOM 228 CA PHE A 104 7.985 18.906 2.617 1.00 0.79 C ATOM 229 C PHE A 104 7.197 20.184 2.257 1.00 0.71 C ATOM 230 O PHE A 104 7.347 20.715 1.171 1.00 0.88 O ATOM 231 CB PHE A 104 7.598 17.731 1.719 1.00 0.94 C ATOM 232 CG PHE A 104 8.830 16.888 1.481 1.00 1.31 C ATOM 233 CD1 PHE A 104 9.316 16.052 2.496 1.00 1.26 C ATOM 234 CD2 PHE A 104 9.495 16.955 0.253 1.00 2.03 C ATOM 235 CE1 PHE A 104 10.466 15.285 2.280 1.00 1.86 C ATOM 236 CE2 PHE A 104 10.644 16.186 0.037 1.00 2.65 C ATOM 237 CZ PHE A 104 11.130 15.351 1.049 1.00 2.56 C ATOM 0 H PHE A 104 6.940 17.781 4.112 1.00 0.68 H new ATOM 0 HA PHE A 104 9.031 19.186 2.493 1.00 0.79 H new ATOM 0 HB2 PHE A 104 6.816 17.135 2.190 1.00 0.94 H new ATOM 0 HB3 PHE A 104 7.197 18.093 0.772 1.00 0.94 H new ATOM 0 HD1 PHE A 104 8.803 16.000 3.445 1.00 1.26 H new ATOM 0 HD2 PHE A 104 9.122 17.600 -0.529 1.00 2.03 H new ATOM 0 HE1 PHE A 104 10.841 14.642 3.062 1.00 1.86 H new ATOM 0 HE2 PHE A 104 11.156 16.237 -0.912 1.00 2.65 H new ATOM 0 HZ PHE A 104 12.017 14.758 0.881 1.00 2.56 H new ATOM 247 N ASP A 105 6.393 20.707 3.153 1.00 0.61 N ATOM 248 CA ASP A 105 5.648 21.968 2.839 1.00 0.60 C ATOM 249 C ASP A 105 6.471 23.174 3.328 1.00 0.56 C ATOM 250 O ASP A 105 6.285 23.664 4.426 1.00 0.63 O ATOM 251 CB ASP A 105 4.316 21.852 3.594 1.00 0.68 C ATOM 252 CG ASP A 105 3.342 22.932 3.106 1.00 0.86 C ATOM 253 OD1 ASP A 105 3.231 23.115 1.903 1.00 0.84 O ATOM 254 OD2 ASP A 105 2.721 23.558 3.944 1.00 1.45 O ATOM 0 H ASP A 105 6.221 20.319 4.081 1.00 0.61 H new ATOM 0 HA ASP A 105 5.476 22.108 1.772 1.00 0.60 H new ATOM 0 HB2 ASP A 105 3.884 20.863 3.437 1.00 0.68 H new ATOM 0 HB3 ASP A 105 4.485 21.960 4.665 1.00 0.68 H new ATOM 259 N LYS A 106 7.398 23.635 2.520 1.00 0.59 N ATOM 260 CA LYS A 106 8.265 24.792 2.928 1.00 0.66 C ATOM 261 C LYS A 106 7.454 26.091 3.070 1.00 0.55 C ATOM 262 O LYS A 106 7.795 26.953 3.858 1.00 0.63 O ATOM 263 CB LYS A 106 9.294 24.932 1.801 1.00 0.87 C ATOM 264 CG LYS A 106 10.309 23.786 1.880 1.00 1.21 C ATOM 265 CD LYS A 106 11.535 24.232 2.683 1.00 1.61 C ATOM 266 CE LYS A 106 12.810 23.668 2.040 1.00 1.77 C ATOM 267 NZ LYS A 106 13.168 22.474 2.862 1.00 2.14 N1+ ATOM 0 H LYS A 106 7.593 23.259 1.592 1.00 0.59 H new ATOM 0 HA LYS A 106 8.725 24.616 3.900 1.00 0.66 H new ATOM 0 HB2 LYS A 106 8.792 24.919 0.834 1.00 0.87 H new ATOM 0 HB3 LYS A 106 9.807 25.890 1.881 1.00 0.87 H new ATOM 0 HG2 LYS A 106 9.852 22.915 2.350 1.00 1.21 H new ATOM 0 HG3 LYS A 106 10.610 23.485 0.877 1.00 1.21 H new ATOM 0 HD2 LYS A 106 11.584 25.320 2.716 1.00 1.61 H new ATOM 0 HD3 LYS A 106 11.452 23.886 3.713 1.00 1.61 H new ATOM 0 HE2 LYS A 106 12.638 23.392 1.000 1.00 1.77 H new ATOM 0 HE3 LYS A 106 13.613 24.405 2.046 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 13.727 21.812 2.287 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 13.727 22.775 3.686 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 12.299 22.003 3.186 1.00 2.14 H new ATOM 281 N ASN A 107 6.398 26.243 2.310 1.00 0.48 N ATOM 282 CA ASN A 107 5.579 27.496 2.398 1.00 0.50 C ATOM 283 C ASN A 107 4.755 27.539 3.703 1.00 0.58 C ATOM 284 O ASN A 107 4.349 28.597 4.142 1.00 0.70 O ATOM 285 CB ASN A 107 4.666 27.449 1.174 1.00 0.54 C ATOM 286 CG ASN A 107 4.011 28.813 0.950 1.00 0.70 C ATOM 287 OD1 ASN A 107 4.687 29.810 0.806 1.00 1.00 O ATOM 288 ND2 ASN A 107 2.711 28.898 0.904 1.00 0.78 N ATOM 0 H ASN A 107 6.066 25.556 1.633 1.00 0.48 H new ATOM 0 HA ASN A 107 6.203 28.390 2.414 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.241 27.165 0.293 1.00 0.54 H new ATOM 0 HB3 ASN A 107 3.899 26.687 1.313 1.00 0.54 H new ATOM 0 HD21 ASN A 107 2.264 29.801 0.747 1.00 0.78 H new ATOM 0 HD22 ASN A 107 2.141 28.061 1.025 1.00 0.78 H new ATOM 295 N ALA A 108 4.521 26.397 4.322 1.00 0.65 N ATOM 296 CA ALA A 108 3.738 26.340 5.608 1.00 0.84 C ATOM 297 C ALA A 108 2.260 26.709 5.390 1.00 0.78 C ATOM 298 O ALA A 108 1.890 27.868 5.366 1.00 0.96 O ATOM 299 CB ALA A 108 4.417 27.336 6.556 1.00 1.03 C ATOM 0 H ALA A 108 4.844 25.490 3.985 1.00 0.65 H new ATOM 0 HA ALA A 108 3.736 25.330 6.019 1.00 0.84 H new ATOM 0 HB1 ALA A 108 3.894 27.343 7.512 1.00 1.03 H new ATOM 0 HB2 ALA A 108 5.455 27.041 6.712 1.00 1.03 H new ATOM 0 HB3 ALA A 108 4.386 28.334 6.119 1.00 1.03 H new ATOM 305 N ASP A 109 1.418 25.713 5.246 1.00 0.73 N ATOM 306 CA ASP A 109 -0.052 25.961 5.039 1.00 0.74 C ATOM 307 C ASP A 109 -0.840 24.631 4.988 1.00 0.78 C ATOM 308 O ASP A 109 -2.020 24.601 5.282 1.00 0.96 O ATOM 309 CB ASP A 109 -0.179 26.719 3.705 1.00 0.72 C ATOM 310 CG ASP A 109 0.763 26.122 2.662 1.00 1.15 C ATOM 311 OD1 ASP A 109 0.423 25.096 2.107 1.00 1.66 O ATOM 312 OD2 ASP A 109 1.807 26.704 2.432 1.00 1.95 O ATOM 0 H ASP A 109 1.685 24.729 5.263 1.00 0.73 H new ATOM 0 HA ASP A 109 -0.469 26.538 5.865 1.00 0.74 H new ATOM 0 HB2 ASP A 109 -1.207 26.668 3.347 1.00 0.72 H new ATOM 0 HB3 ASP A 109 0.055 27.773 3.855 1.00 0.72 H new ATOM 317 N GLY A 110 -0.203 23.534 4.626 1.00 0.76 N ATOM 318 CA GLY A 110 -0.925 22.222 4.569 1.00 0.85 C ATOM 319 C GLY A 110 -0.951 21.665 3.136 1.00 0.70 C ATOM 320 O GLY A 110 -1.331 20.529 2.923 1.00 0.73 O ATOM 0 H GLY A 110 0.783 23.495 4.369 1.00 0.76 H new ATOM 0 HA2 GLY A 110 -0.438 21.507 5.232 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.945 22.349 4.932 1.00 0.85 H new ATOM 324 N TYR A 111 -0.555 22.442 2.155 1.00 0.68 N ATOM 325 CA TYR A 111 -0.560 21.938 0.742 1.00 0.60 C ATOM 326 C TYR A 111 0.686 22.449 0.011 1.00 0.58 C ATOM 327 O TYR A 111 0.918 23.635 -0.066 1.00 0.83 O ATOM 328 CB TYR A 111 -1.828 22.531 0.102 1.00 0.68 C ATOM 329 CG TYR A 111 -3.029 22.314 1.001 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.319 23.236 2.020 1.00 0.71 C ATOM 331 CD2 TYR A 111 -3.851 21.196 0.816 1.00 0.78 C ATOM 332 CE1 TYR A 111 -4.430 23.035 2.849 1.00 0.78 C ATOM 333 CE2 TYR A 111 -4.961 20.998 1.646 1.00 0.83 C ATOM 334 CZ TYR A 111 -5.250 21.916 2.662 1.00 0.80 C ATOM 335 OH TYR A 111 -6.345 21.720 3.478 1.00 0.90 O ATOM 0 H TYR A 111 -0.229 23.402 2.270 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.552 20.849 0.691 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.688 23.597 -0.076 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -2.004 22.066 -0.868 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.686 24.099 2.164 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -3.629 20.486 0.033 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -4.654 23.744 3.633 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -5.595 20.136 1.502 1.00 0.83 H new ATOM 0 HH TYR A 111 -6.807 20.897 3.213 1.00 0.90 H new ATOM 345 N ILE A 112 1.486 21.571 -0.535 1.00 0.50 N ATOM 346 CA ILE A 112 2.719 22.027 -1.256 1.00 0.50 C ATOM 347 C ILE A 112 2.353 22.627 -2.622 1.00 0.49 C ATOM 348 O ILE A 112 1.396 22.219 -3.247 1.00 0.66 O ATOM 349 CB ILE A 112 3.579 20.763 -1.405 1.00 0.50 C ATOM 350 CG1 ILE A 112 4.336 20.511 -0.098 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.590 20.938 -2.540 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.676 19.025 0.019 1.00 0.66 C ATOM 0 H ILE A 112 1.343 20.561 -0.515 1.00 0.50 H new ATOM 0 HA ILE A 112 3.252 22.811 -0.718 1.00 0.50 H new ATOM 0 HB ILE A 112 2.929 19.919 -1.633 1.00 0.50 H new ATOM 0 HG12 ILE A 112 5.249 21.106 -0.074 1.00 0.62 H new ATOM 0 HG13 ILE A 112 3.729 20.824 0.752 1.00 0.62 H new ATOM 0 HG21 ILE A 112 5.192 20.034 -2.633 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.060 21.119 -3.475 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.239 21.786 -2.321 1.00 0.58 H new ATOM 0 HD11 ILE A 112 5.215 18.847 0.950 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.756 18.440 0.015 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.300 18.727 -0.824 1.00 0.66 H new ATOM 364 N ASP A 113 3.109 23.596 -3.083 1.00 0.47 N ATOM 365 CA ASP A 113 2.809 24.227 -4.409 1.00 0.50 C ATOM 366 C ASP A 113 3.936 23.932 -5.417 1.00 0.50 C ATOM 367 O ASP A 113 4.970 23.393 -5.070 1.00 0.57 O ATOM 368 CB ASP A 113 2.700 25.730 -4.125 1.00 0.60 C ATOM 369 CG ASP A 113 1.433 26.009 -3.309 1.00 1.17 C ATOM 370 OD1 ASP A 113 1.514 25.975 -2.091 1.00 1.85 O ATOM 371 OD2 ASP A 113 0.403 26.249 -3.915 1.00 1.77 O ATOM 0 H ASP A 113 3.921 23.977 -2.598 1.00 0.47 H new ATOM 0 HA ASP A 113 1.893 23.836 -4.851 1.00 0.50 H new ATOM 0 HB2 ASP A 113 3.579 26.072 -3.579 1.00 0.60 H new ATOM 0 HB3 ASP A 113 2.671 26.286 -5.062 1.00 0.60 H new ATOM 376 N LEU A 114 3.721 24.265 -6.667 1.00 0.52 N ATOM 377 CA LEU A 114 4.745 23.994 -7.737 1.00 0.57 C ATOM 378 C LEU A 114 6.136 24.554 -7.386 1.00 0.63 C ATOM 379 O LEU A 114 7.142 24.031 -7.832 1.00 0.80 O ATOM 380 CB LEU A 114 4.202 24.696 -8.985 1.00 0.62 C ATOM 381 CG LEU A 114 3.401 23.700 -9.825 1.00 0.61 C ATOM 382 CD1 LEU A 114 2.296 24.438 -10.582 1.00 0.91 C ATOM 383 CD2 LEU A 114 4.330 23.011 -10.826 1.00 0.81 C ATOM 0 H LEU A 114 2.870 24.719 -7.000 1.00 0.52 H new ATOM 0 HA LEU A 114 4.886 22.921 -7.869 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.569 25.535 -8.696 1.00 0.62 H new ATOM 0 HB3 LEU A 114 5.025 25.104 -9.572 1.00 0.62 H new ATOM 0 HG LEU A 114 2.954 22.953 -9.169 1.00 0.61 H new ATOM 0 HD11 LEU A 114 1.727 23.726 -11.180 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.631 24.927 -9.870 1.00 0.91 H new ATOM 0 HD13 LEU A 114 2.741 25.187 -11.237 1.00 0.91 H new ATOM 0 HD21 LEU A 114 3.758 22.301 -11.424 1.00 0.81 H new ATOM 0 HD22 LEU A 114 4.779 23.759 -11.480 1.00 0.81 H new ATOM 0 HD23 LEU A 114 5.116 22.481 -10.288 1.00 0.81 H new ATOM 395 N ASP A 115 6.210 25.614 -6.623 1.00 0.61 N ATOM 396 CA ASP A 115 7.548 26.199 -6.288 1.00 0.71 C ATOM 397 C ASP A 115 8.256 25.416 -5.170 1.00 0.65 C ATOM 398 O ASP A 115 9.470 25.330 -5.148 1.00 0.89 O ATOM 399 CB ASP A 115 7.256 27.636 -5.845 1.00 0.80 C ATOM 400 CG ASP A 115 8.313 28.569 -6.434 1.00 1.17 C ATOM 401 OD1 ASP A 115 8.127 29.010 -7.556 1.00 1.76 O ATOM 402 OD2 ASP A 115 9.299 28.819 -5.760 1.00 1.76 O ATOM 0 H ASP A 115 5.409 26.099 -6.219 1.00 0.61 H new ATOM 0 HA ASP A 115 8.221 26.158 -7.144 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.263 27.937 -6.178 1.00 0.80 H new ATOM 0 HB3 ASP A 115 7.261 27.702 -4.757 1.00 0.80 H new ATOM 407 N GLU A 116 7.524 24.853 -4.242 1.00 0.51 N ATOM 408 CA GLU A 116 8.183 24.092 -3.129 1.00 0.48 C ATOM 409 C GLU A 116 8.608 22.684 -3.589 1.00 0.49 C ATOM 410 O GLU A 116 9.520 22.102 -3.033 1.00 0.63 O ATOM 411 CB GLU A 116 7.135 24.003 -2.012 1.00 0.48 C ATOM 412 CG GLU A 116 6.665 25.406 -1.619 1.00 0.57 C ATOM 413 CD GLU A 116 5.297 25.312 -0.952 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.195 24.648 0.068 1.00 1.19 O ATOM 415 OE2 GLU A 116 4.372 25.906 -1.468 1.00 1.36 O ATOM 0 H GLU A 116 6.505 24.885 -4.204 1.00 0.51 H new ATOM 0 HA GLU A 116 9.092 24.591 -2.794 1.00 0.48 H new ATOM 0 HB2 GLU A 116 6.286 23.407 -2.346 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.559 23.497 -1.145 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.383 25.865 -0.939 1.00 0.57 H new ATOM 0 HG3 GLU A 116 6.609 26.043 -2.501 1.00 0.57 H new ATOM 422 N LEU A 117 7.965 22.130 -4.596 1.00 0.48 N ATOM 423 CA LEU A 117 8.353 20.756 -5.073 1.00 0.52 C ATOM 424 C LEU A 117 9.802 20.746 -5.595 1.00 0.58 C ATOM 425 O LEU A 117 10.574 19.858 -5.283 1.00 0.69 O ATOM 426 CB LEU A 117 7.398 20.411 -6.229 1.00 0.55 C ATOM 427 CG LEU A 117 5.932 20.465 -5.783 1.00 0.50 C ATOM 428 CD1 LEU A 117 5.048 20.644 -7.016 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.546 19.157 -5.090 1.00 0.53 C ATOM 0 H LEU A 117 7.195 22.565 -5.105 1.00 0.48 H new ATOM 0 HA LEU A 117 8.287 20.036 -4.257 1.00 0.52 H new ATOM 0 HB2 LEU A 117 7.555 21.108 -7.052 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.628 19.415 -6.607 1.00 0.55 H new ATOM 0 HG LEU A 117 5.798 21.296 -5.090 1.00 0.50 H new ATOM 0 HD11 LEU A 117 4.002 20.684 -6.711 1.00 0.58 H new ATOM 0 HD12 LEU A 117 5.314 21.572 -7.523 1.00 0.58 H new ATOM 0 HD13 LEU A 117 5.196 19.804 -7.695 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.503 19.205 -4.777 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.679 18.326 -5.782 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.180 19.007 -4.216 1.00 0.53 H new ATOM 441 N LYS A 118 10.162 21.715 -6.407 1.00 0.59 N ATOM 442 CA LYS A 118 11.550 21.764 -6.986 1.00 0.69 C ATOM 443 C LYS A 118 12.630 21.954 -5.903 1.00 0.64 C ATOM 444 O LYS A 118 13.736 21.465 -6.039 1.00 0.73 O ATOM 445 CB LYS A 118 11.537 22.958 -7.957 1.00 0.83 C ATOM 446 CG LYS A 118 11.615 24.277 -7.181 1.00 0.99 C ATOM 447 CD LYS A 118 11.055 25.415 -8.038 1.00 1.35 C ATOM 448 CE LYS A 118 11.297 26.751 -7.327 1.00 1.51 C ATOM 449 NZ LYS A 118 10.721 27.786 -8.232 1.00 1.99 N1+ ATOM 0 H LYS A 118 9.552 22.479 -6.696 1.00 0.59 H new ATOM 0 HA LYS A 118 11.799 20.825 -7.481 1.00 0.69 H new ATOM 0 HB2 LYS A 118 12.378 22.884 -8.646 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.629 22.936 -8.559 1.00 0.83 H new ATOM 0 HG2 LYS A 118 11.051 24.197 -6.252 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.649 24.489 -6.909 1.00 0.99 H new ATOM 0 HD2 LYS A 118 11.535 25.419 -9.017 1.00 1.35 H new ATOM 0 HD3 LYS A 118 9.988 25.268 -8.207 1.00 1.35 H new ATOM 0 HE2 LYS A 118 10.814 26.770 -6.350 1.00 1.51 H new ATOM 0 HE3 LYS A 118 12.361 26.921 -7.161 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 10.743 28.712 -7.759 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 11.280 27.831 -9.108 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 9.737 27.538 -8.462 1.00 1.99 H new ATOM 463 N ILE A 119 12.332 22.665 -4.843 1.00 0.68 N ATOM 464 CA ILE A 119 13.361 22.888 -3.774 1.00 0.74 C ATOM 465 C ILE A 119 13.693 21.577 -3.040 1.00 0.75 C ATOM 466 O ILE A 119 14.763 21.430 -2.479 1.00 0.85 O ATOM 467 CB ILE A 119 12.728 23.913 -2.820 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.781 25.303 -3.461 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.496 23.945 -1.494 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.631 26.160 -2.930 1.00 1.06 C ATOM 0 H ILE A 119 11.426 23.100 -4.670 1.00 0.68 H new ATOM 0 HA ILE A 119 14.305 23.245 -4.186 1.00 0.74 H new ATOM 0 HB ILE A 119 11.693 23.628 -2.630 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.735 25.780 -3.239 1.00 1.22 H new ATOM 0 HG13 ILE A 119 12.712 25.217 -4.545 1.00 1.22 H new ATOM 0 HG21 ILE A 119 13.038 24.675 -0.826 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.464 22.959 -1.031 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.533 24.224 -1.681 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.672 27.148 -3.388 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.681 25.686 -3.175 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.720 26.258 -1.848 1.00 1.06 H new ATOM 482 N MET A 120 12.791 20.630 -3.036 1.00 0.85 N ATOM 483 CA MET A 120 13.060 19.337 -2.332 1.00 1.01 C ATOM 484 C MET A 120 13.895 18.398 -3.212 1.00 0.95 C ATOM 485 O MET A 120 14.825 17.769 -2.745 1.00 1.11 O ATOM 486 CB MET A 120 11.679 18.739 -2.063 1.00 1.17 C ATOM 487 CG MET A 120 10.878 19.690 -1.173 1.00 1.52 C ATOM 488 SD MET A 120 11.797 20.011 0.351 1.00 1.88 S ATOM 489 CE MET A 120 10.381 20.535 1.340 1.00 1.43 C ATOM 0 H MET A 120 11.879 20.694 -3.489 1.00 0.85 H new ATOM 0 HA MET A 120 13.630 19.484 -1.414 1.00 1.01 H new ATOM 0 HB2 MET A 120 11.153 18.573 -3.003 1.00 1.17 H new ATOM 0 HB3 MET A 120 11.779 17.768 -1.579 1.00 1.17 H new ATOM 0 HG2 MET A 120 10.689 20.625 -1.700 1.00 1.52 H new ATOM 0 HG3 MET A 120 9.907 19.254 -0.939 1.00 1.52 H new ATOM 0 HE1 MET A 120 10.719 20.824 2.335 1.00 1.43 H new ATOM 0 HE2 MET A 120 9.897 21.386 0.860 1.00 1.43 H new ATOM 0 HE3 MET A 120 9.671 19.712 1.423 1.00 1.43 H new ATOM 499 N LEU A 121 13.575 18.299 -4.479 1.00 0.87 N ATOM 500 CA LEU A 121 14.361 17.395 -5.380 1.00 0.95 C ATOM 501 C LEU A 121 15.764 17.968 -5.655 1.00 0.87 C ATOM 502 O LEU A 121 16.607 17.296 -6.217 1.00 0.97 O ATOM 503 CB LEU A 121 13.551 17.307 -6.675 1.00 1.09 C ATOM 504 CG LEU A 121 13.518 15.856 -7.161 1.00 1.41 C ATOM 505 CD1 LEU A 121 12.355 15.117 -6.498 1.00 2.03 C ATOM 506 CD2 LEU A 121 13.336 15.833 -8.679 1.00 1.80 C ATOM 0 H LEU A 121 12.809 18.801 -4.928 1.00 0.87 H new ATOM 0 HA LEU A 121 14.514 16.415 -4.927 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.536 17.668 -6.507 1.00 1.09 H new ATOM 0 HB3 LEU A 121 13.995 17.947 -7.438 1.00 1.09 H new ATOM 0 HG LEU A 121 14.455 15.365 -6.897 1.00 1.41 H new ATOM 0 HD11 LEU A 121 12.334 14.084 -6.846 1.00 2.03 H new ATOM 0 HD12 LEU A 121 12.484 15.133 -5.416 1.00 2.03 H new ATOM 0 HD13 LEU A 121 11.417 15.607 -6.759 1.00 2.03 H new ATOM 0 HD21 LEU A 121 13.312 14.800 -9.027 1.00 1.80 H new ATOM 0 HD22 LEU A 121 12.400 16.326 -8.941 1.00 1.80 H new ATOM 0 HD23 LEU A 121 14.166 16.357 -9.153 1.00 1.80 H new ATOM 518 N GLN A 122 16.028 19.193 -5.258 1.00 0.82 N ATOM 519 CA GLN A 122 17.386 19.783 -5.492 1.00 0.95 C ATOM 520 C GLN A 122 18.461 18.925 -4.807 1.00 1.04 C ATOM 521 O GLN A 122 19.564 18.794 -5.302 1.00 1.19 O ATOM 522 CB GLN A 122 17.332 21.180 -4.868 1.00 1.14 C ATOM 523 CG GLN A 122 17.111 22.222 -5.968 1.00 1.42 C ATOM 524 CD GLN A 122 17.158 23.625 -5.362 1.00 1.85 C ATOM 525 OE1 GLN A 122 16.134 24.237 -5.140 1.00 2.44 O ATOM 526 NE2 GLN A 122 18.312 24.167 -5.085 1.00 2.28 N ATOM 0 H GLN A 122 15.365 19.806 -4.784 1.00 0.82 H new ATOM 0 HA GLN A 122 17.640 19.824 -6.551 1.00 0.95 H new ATOM 0 HB2 GLN A 122 16.526 21.232 -4.136 1.00 1.14 H new ATOM 0 HB3 GLN A 122 18.260 21.388 -4.336 1.00 1.14 H new ATOM 0 HG2 GLN A 122 17.877 22.121 -6.737 1.00 1.42 H new ATOM 0 HG3 GLN A 122 16.149 22.056 -6.452 1.00 1.42 H new ATOM 0 HE21 GLN A 122 19.174 23.654 -5.271 1.00 2.28 H new ATOM 0 HE22 GLN A 122 18.352 25.103 -4.683 1.00 2.28 H new ATOM 535 N ALA A 123 18.139 18.329 -3.680 1.00 1.09 N ATOM 536 CA ALA A 123 19.134 17.465 -2.968 1.00 1.33 C ATOM 537 C ALA A 123 19.536 16.278 -3.856 1.00 1.38 C ATOM 538 O ALA A 123 20.699 15.931 -3.947 1.00 1.62 O ATOM 539 CB ALA A 123 18.411 16.974 -1.711 1.00 1.45 C ATOM 0 H ALA A 123 17.230 18.405 -3.224 1.00 1.09 H new ATOM 0 HA ALA A 123 20.049 18.005 -2.725 1.00 1.33 H new ATOM 0 HB1 ALA A 123 19.078 16.333 -1.135 1.00 1.45 H new ATOM 0 HB2 ALA A 123 18.116 17.829 -1.103 1.00 1.45 H new ATOM 0 HB3 ALA A 123 17.524 16.410 -1.999 1.00 1.45 H new ATOM 545 N THR A 124 18.583 15.663 -4.519 1.00 1.29 N ATOM 546 CA THR A 124 18.909 14.505 -5.415 1.00 1.47 C ATOM 547 C THR A 124 19.463 15.009 -6.757 1.00 1.44 C ATOM 548 O THR A 124 20.277 14.356 -7.381 1.00 1.72 O ATOM 549 CB THR A 124 17.584 13.753 -5.631 1.00 1.56 C ATOM 550 OG1 THR A 124 16.569 14.663 -6.031 1.00 2.16 O ATOM 551 CG2 THR A 124 17.159 13.063 -4.334 1.00 1.92 C ATOM 0 H THR A 124 17.595 15.913 -4.478 1.00 1.29 H new ATOM 0 HA THR A 124 19.668 13.859 -4.975 1.00 1.47 H new ATOM 0 HB THR A 124 17.729 13.005 -6.411 1.00 1.56 H new ATOM 0 HG1 THR A 124 16.973 15.529 -6.248 1.00 2.16 H new ATOM 0 HG21 THR A 124 16.220 12.533 -4.495 1.00 1.92 H new ATOM 0 HG22 THR A 124 17.929 12.354 -4.030 1.00 1.92 H new ATOM 0 HG23 THR A 124 17.024 13.810 -3.552 1.00 1.92 H new ATOM 559 N GLY A 125 19.027 16.165 -7.203 1.00 1.26 N ATOM 560 CA GLY A 125 19.526 16.713 -8.502 1.00 1.32 C ATOM 561 C GLY A 125 18.622 17.862 -8.957 1.00 1.26 C ATOM 562 O GLY A 125 18.929 19.020 -8.748 1.00 1.63 O ATOM 0 H GLY A 125 18.346 16.752 -6.721 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.551 17.066 -8.389 1.00 1.32 H new ATOM 0 HA3 GLY A 125 19.541 15.928 -9.258 1.00 1.32 H new ATOM 566 N GLU A 126 17.510 17.542 -9.579 1.00 1.02 N ATOM 567 CA GLU A 126 16.556 18.596 -10.064 1.00 1.08 C ATOM 568 C GLU A 126 17.269 19.621 -10.966 1.00 0.89 C ATOM 569 O GLU A 126 16.986 20.804 -10.929 1.00 0.87 O ATOM 570 CB GLU A 126 16.001 19.257 -8.795 1.00 1.34 C ATOM 571 CG GLU A 126 14.794 20.145 -9.143 1.00 1.45 C ATOM 572 CD GLU A 126 13.591 19.281 -9.545 1.00 1.61 C ATOM 573 OE1 GLU A 126 13.615 18.726 -10.632 1.00 2.09 O ATOM 574 OE2 GLU A 126 12.658 19.201 -8.765 1.00 2.16 O ATOM 0 H GLU A 126 17.219 16.584 -9.774 1.00 1.02 H new ATOM 0 HA GLU A 126 15.760 18.169 -10.674 1.00 1.08 H new ATOM 0 HB2 GLU A 126 15.704 18.492 -8.078 1.00 1.34 H new ATOM 0 HB3 GLU A 126 16.777 19.856 -8.319 1.00 1.34 H new ATOM 0 HG2 GLU A 126 14.533 20.767 -8.286 1.00 1.45 H new ATOM 0 HG3 GLU A 126 15.054 20.819 -9.959 1.00 1.45 H new ATOM 581 N THR A 127 18.177 19.169 -11.794 1.00 1.09 N ATOM 582 CA THR A 127 18.890 20.107 -12.716 1.00 1.21 C ATOM 583 C THR A 127 18.184 20.100 -14.077 1.00 1.29 C ATOM 584 O THR A 127 18.743 19.696 -15.081 1.00 1.60 O ATOM 585 CB THR A 127 20.321 19.561 -12.830 1.00 1.57 C ATOM 586 OG1 THR A 127 20.282 18.168 -13.114 1.00 1.91 O ATOM 587 CG2 THR A 127 21.062 19.789 -11.512 1.00 2.18 C ATOM 0 H THR A 127 18.456 18.191 -11.872 1.00 1.09 H new ATOM 0 HA THR A 127 18.896 21.136 -12.356 1.00 1.21 H new ATOM 0 HB THR A 127 20.840 20.080 -13.636 1.00 1.57 H new ATOM 0 HG1 THR A 127 21.196 17.823 -13.188 1.00 1.91 H new ATOM 0 HG21 THR A 127 22.077 19.401 -11.594 1.00 2.18 H new ATOM 0 HG22 THR A 127 21.098 20.856 -11.295 1.00 2.18 H new ATOM 0 HG23 THR A 127 20.540 19.272 -10.707 1.00 2.18 H new ATOM 595 N ILE A 128 16.943 20.522 -14.106 1.00 1.08 N ATOM 596 CA ILE A 128 16.170 20.520 -15.388 1.00 1.20 C ATOM 597 C ILE A 128 15.298 21.785 -15.509 1.00 1.18 C ATOM 598 O ILE A 128 15.443 22.724 -14.748 1.00 1.15 O ATOM 599 CB ILE A 128 15.300 19.244 -15.348 1.00 1.12 C ATOM 600 CG1 ILE A 128 15.051 18.784 -13.896 1.00 1.32 C ATOM 601 CG2 ILE A 128 16.014 18.129 -16.115 1.00 1.62 C ATOM 602 CD1 ILE A 128 14.419 17.389 -13.883 1.00 2.03 C ATOM 0 H ILE A 128 16.431 20.869 -13.295 1.00 1.08 H new ATOM 0 HA ILE A 128 16.831 20.524 -16.255 1.00 1.20 H new ATOM 0 HB ILE A 128 14.337 19.467 -15.807 1.00 1.12 H new ATOM 0 HG12 ILE A 128 15.991 18.770 -13.345 1.00 1.32 H new ATOM 0 HG13 ILE A 128 14.396 19.493 -13.390 1.00 1.32 H new ATOM 0 HG21 ILE A 128 15.406 17.224 -16.092 1.00 1.62 H new ATOM 0 HG22 ILE A 128 16.165 18.438 -17.149 1.00 1.62 H new ATOM 0 HG23 ILE A 128 16.980 17.929 -15.651 1.00 1.62 H new ATOM 0 HD11 ILE A 128 14.249 17.076 -12.853 1.00 2.03 H new ATOM 0 HD12 ILE A 128 13.469 17.415 -14.416 1.00 2.03 H new ATOM 0 HD13 ILE A 128 15.089 16.681 -14.371 1.00 2.03 H new ATOM 614 N THR A 129 14.407 21.822 -16.475 1.00 1.34 N ATOM 615 CA THR A 129 13.538 23.035 -16.666 1.00 1.42 C ATOM 616 C THR A 129 12.220 22.911 -15.878 1.00 1.16 C ATOM 617 O THR A 129 12.017 21.971 -15.132 1.00 0.97 O ATOM 618 CB THR A 129 13.278 23.101 -18.182 1.00 1.64 C ATOM 619 OG1 THR A 129 12.780 24.391 -18.519 1.00 2.23 O ATOM 620 CG2 THR A 129 12.269 22.022 -18.599 1.00 2.28 C ATOM 0 H THR A 129 14.243 21.066 -17.140 1.00 1.34 H new ATOM 0 HA THR A 129 14.017 23.941 -16.294 1.00 1.42 H new ATOM 0 HB THR A 129 14.213 22.922 -18.713 1.00 1.64 H new ATOM 0 HG1 THR A 129 11.809 24.345 -18.640 1.00 2.23 H new ATOM 0 HG21 THR A 129 12.096 22.082 -19.673 1.00 2.28 H new ATOM 0 HG22 THR A 129 12.665 21.038 -18.349 1.00 2.28 H new ATOM 0 HG23 THR A 129 11.329 22.179 -18.071 1.00 2.28 H new ATOM 628 N GLU A 130 11.328 23.866 -16.033 1.00 1.31 N ATOM 629 CA GLU A 130 10.025 23.817 -15.289 1.00 1.28 C ATOM 630 C GLU A 130 9.157 22.643 -15.774 1.00 1.16 C ATOM 631 O GLU A 130 8.486 22.002 -14.985 1.00 1.21 O ATOM 632 CB GLU A 130 9.339 25.174 -15.546 1.00 1.69 C ATOM 633 CG GLU A 130 8.617 25.186 -16.904 1.00 2.05 C ATOM 634 CD GLU A 130 9.612 25.487 -18.026 1.00 2.43 C ATOM 635 OE1 GLU A 130 10.011 26.633 -18.147 1.00 2.70 O ATOM 636 OE2 GLU A 130 9.960 24.566 -18.745 1.00 3.03 O ATOM 0 H GLU A 130 11.447 24.676 -16.642 1.00 1.31 H new ATOM 0 HA GLU A 130 10.179 23.654 -14.222 1.00 1.28 H new ATOM 0 HB2 GLU A 130 8.624 25.379 -14.749 1.00 1.69 H new ATOM 0 HB3 GLU A 130 10.082 25.971 -15.520 1.00 1.69 H new ATOM 0 HG2 GLU A 130 8.140 24.222 -17.079 1.00 2.05 H new ATOM 0 HG3 GLU A 130 7.826 25.936 -16.898 1.00 2.05 H new ATOM 643 N ASP A 131 9.171 22.346 -17.053 1.00 1.18 N ATOM 644 CA ASP A 131 8.352 21.203 -17.567 1.00 1.19 C ATOM 645 C ASP A 131 8.818 19.898 -16.910 1.00 1.07 C ATOM 646 O ASP A 131 8.037 18.990 -16.687 1.00 1.14 O ATOM 647 CB ASP A 131 8.601 21.172 -19.077 1.00 1.44 C ATOM 648 CG ASP A 131 7.479 20.390 -19.762 1.00 1.48 C ATOM 649 OD1 ASP A 131 6.475 20.998 -20.091 1.00 1.91 O ATOM 650 OD2 ASP A 131 7.642 19.195 -19.944 1.00 2.07 O ATOM 0 H ASP A 131 9.712 22.844 -17.760 1.00 1.18 H new ATOM 0 HA ASP A 131 7.291 21.316 -17.342 1.00 1.19 H new ATOM 0 HB2 ASP A 131 8.644 22.188 -19.470 1.00 1.44 H new ATOM 0 HB3 ASP A 131 9.564 20.708 -19.288 1.00 1.44 H new ATOM 655 N ASP A 132 10.083 19.814 -16.575 1.00 1.00 N ATOM 656 CA ASP A 132 10.608 18.586 -15.906 1.00 1.03 C ATOM 657 C ASP A 132 10.000 18.472 -14.502 1.00 0.88 C ATOM 658 O ASP A 132 9.706 17.390 -14.031 1.00 1.03 O ATOM 659 CB ASP A 132 12.122 18.783 -15.832 1.00 1.13 C ATOM 660 CG ASP A 132 12.775 18.240 -17.104 1.00 1.39 C ATOM 661 OD1 ASP A 132 12.945 17.035 -17.191 1.00 1.79 O ATOM 662 OD2 ASP A 132 13.100 19.039 -17.966 1.00 1.99 O ATOM 0 H ASP A 132 10.775 20.546 -16.737 1.00 1.00 H new ATOM 0 HA ASP A 132 10.355 17.672 -16.444 1.00 1.03 H new ATOM 0 HB2 ASP A 132 12.355 19.841 -15.715 1.00 1.13 H new ATOM 0 HB3 ASP A 132 12.523 18.270 -14.958 1.00 1.13 H new ATOM 667 N ILE A 133 9.778 19.588 -13.845 1.00 0.75 N ATOM 668 CA ILE A 133 9.151 19.549 -12.485 1.00 0.77 C ATOM 669 C ILE A 133 7.737 18.969 -12.615 1.00 0.70 C ATOM 670 O ILE A 133 7.268 18.243 -11.759 1.00 0.82 O ATOM 671 CB ILE A 133 9.076 21.008 -12.005 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.460 21.676 -12.087 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.584 21.042 -10.554 1.00 1.06 C ATOM 674 CD1 ILE A 133 11.442 20.975 -11.145 1.00 1.00 C ATOM 0 H ILE A 133 10.003 20.521 -14.191 1.00 0.75 H new ATOM 0 HA ILE A 133 9.719 18.935 -11.785 1.00 0.77 H new ATOM 0 HB ILE A 133 8.383 21.552 -12.647 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.833 21.633 -13.110 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.379 22.730 -11.821 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.530 22.076 -10.212 1.00 1.06 H new ATOM 0 HG22 ILE A 133 7.595 20.588 -10.495 1.00 1.06 H new ATOM 0 HG23 ILE A 133 9.277 20.486 -9.922 1.00 1.06 H new ATOM 0 HD11 ILE A 133 12.417 21.457 -11.212 1.00 1.00 H new ATOM 0 HD12 ILE A 133 11.074 21.041 -10.121 1.00 1.00 H new ATOM 0 HD13 ILE A 133 11.535 19.927 -11.430 1.00 1.00 H new ATOM 686 N GLU A 134 7.067 19.288 -13.698 1.00 0.61 N ATOM 687 CA GLU A 134 5.685 18.771 -13.927 1.00 0.64 C ATOM 688 C GLU A 134 5.681 17.243 -14.084 1.00 0.64 C ATOM 689 O GLU A 134 4.663 16.611 -13.885 1.00 0.76 O ATOM 690 CB GLU A 134 5.218 19.441 -15.220 1.00 0.73 C ATOM 691 CG GLU A 134 4.354 20.655 -14.875 1.00 0.89 C ATOM 692 CD GLU A 134 2.914 20.201 -14.616 1.00 1.21 C ATOM 693 OE1 GLU A 134 2.238 19.864 -15.575 1.00 1.87 O ATOM 694 OE2 GLU A 134 2.515 20.192 -13.464 1.00 1.86 O ATOM 0 H GLU A 134 7.425 19.891 -14.439 1.00 0.61 H new ATOM 0 HA GLU A 134 5.030 18.994 -13.085 1.00 0.64 H new ATOM 0 HB2 GLU A 134 6.078 19.749 -15.815 1.00 0.73 H new ATOM 0 HB3 GLU A 134 4.649 18.735 -15.824 1.00 0.73 H new ATOM 0 HG2 GLU A 134 4.752 21.159 -13.994 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.378 21.376 -15.692 1.00 0.89 H new ATOM 701 N GLU A 135 6.799 16.639 -14.428 1.00 0.59 N ATOM 702 CA GLU A 135 6.825 15.150 -14.576 1.00 0.67 C ATOM 703 C GLU A 135 6.262 14.505 -13.304 1.00 0.74 C ATOM 704 O GLU A 135 5.433 13.616 -13.363 1.00 0.91 O ATOM 705 CB GLU A 135 8.297 14.780 -14.774 1.00 0.72 C ATOM 706 CG GLU A 135 8.421 13.757 -15.909 1.00 1.16 C ATOM 707 CD GLU A 135 8.134 12.354 -15.373 1.00 1.56 C ATOM 708 OE1 GLU A 135 9.054 11.736 -14.863 1.00 2.03 O ATOM 709 OE2 GLU A 135 7.000 11.921 -15.484 1.00 2.29 O ATOM 0 H GLU A 135 7.685 17.111 -14.610 1.00 0.59 H new ATOM 0 HA GLU A 135 6.220 14.802 -15.413 1.00 0.67 H new ATOM 0 HB2 GLU A 135 8.878 15.672 -15.009 1.00 0.72 H new ATOM 0 HB3 GLU A 135 8.706 14.367 -13.852 1.00 0.72 H new ATOM 0 HG2 GLU A 135 7.722 14.001 -16.709 1.00 1.16 H new ATOM 0 HG3 GLU A 135 9.422 13.795 -16.338 1.00 1.16 H new ATOM 716 N LEU A 136 6.682 14.978 -12.156 1.00 0.73 N ATOM 717 CA LEU A 136 6.150 14.425 -10.876 1.00 0.87 C ATOM 718 C LEU A 136 4.894 15.202 -10.468 1.00 0.81 C ATOM 719 O LEU A 136 3.924 14.624 -10.019 1.00 1.00 O ATOM 720 CB LEU A 136 7.266 14.614 -9.837 1.00 0.99 C ATOM 721 CG LEU A 136 8.562 13.924 -10.297 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.403 13.552 -9.074 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.243 12.649 -11.090 1.00 1.75 C ATOM 0 H LEU A 136 7.371 15.723 -12.052 1.00 0.73 H new ATOM 0 HA LEU A 136 5.874 13.374 -10.965 1.00 0.87 H new ATOM 0 HB2 LEU A 136 7.450 15.677 -9.683 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.950 14.203 -8.878 1.00 0.99 H new ATOM 0 HG LEU A 136 9.113 14.613 -10.937 1.00 1.09 H new ATOM 0 HD11 LEU A 136 10.321 13.063 -9.399 1.00 1.74 H new ATOM 0 HD12 LEU A 136 9.651 14.454 -8.515 1.00 1.74 H new ATOM 0 HD13 LEU A 136 8.837 12.873 -8.436 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.172 12.175 -11.407 1.00 1.75 H new ATOM 0 HD22 LEU A 136 7.681 11.960 -10.460 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.649 12.905 -11.967 1.00 1.75 H new ATOM 735 N MET A 137 4.902 16.509 -10.626 1.00 0.67 N ATOM 736 CA MET A 137 3.704 17.326 -10.247 1.00 0.71 C ATOM 737 C MET A 137 2.443 16.857 -10.992 1.00 0.68 C ATOM 738 O MET A 137 1.353 16.960 -10.473 1.00 0.70 O ATOM 739 CB MET A 137 4.041 18.765 -10.641 1.00 0.82 C ATOM 740 CG MET A 137 3.594 19.706 -9.522 1.00 0.99 C ATOM 741 SD MET A 137 1.903 20.275 -9.842 1.00 0.94 S ATOM 742 CE MET A 137 1.465 20.684 -8.131 1.00 0.53 C ATOM 0 H MET A 137 5.687 17.042 -11.001 1.00 0.67 H new ATOM 0 HA MET A 137 3.490 17.229 -9.183 1.00 0.71 H new ATOM 0 HB2 MET A 137 5.113 18.867 -10.813 1.00 0.82 H new ATOM 0 HB3 MET A 137 3.542 19.026 -11.574 1.00 0.82 H new ATOM 0 HG2 MET A 137 3.640 19.192 -8.562 1.00 0.99 H new ATOM 0 HG3 MET A 137 4.269 20.559 -9.460 1.00 0.99 H new ATOM 0 HE1 MET A 137 0.437 21.044 -8.095 1.00 0.53 H new ATOM 0 HE2 MET A 137 1.560 19.794 -7.509 1.00 0.53 H new ATOM 0 HE3 MET A 137 2.135 21.460 -7.760 1.00 0.53 H new ATOM 752 N LYS A 138 2.573 16.350 -12.200 1.00 0.76 N ATOM 753 CA LYS A 138 1.357 15.887 -12.950 1.00 0.82 C ATOM 754 C LYS A 138 0.640 14.784 -12.164 1.00 0.72 C ATOM 755 O LYS A 138 -0.508 14.928 -11.797 1.00 0.84 O ATOM 756 CB LYS A 138 1.852 15.339 -14.293 1.00 0.99 C ATOM 757 CG LYS A 138 1.958 16.481 -15.313 1.00 1.57 C ATOM 758 CD LYS A 138 2.519 15.946 -16.638 1.00 2.09 C ATOM 759 CE LYS A 138 3.776 16.736 -17.031 1.00 2.74 C ATOM 760 NZ LYS A 138 3.273 18.028 -17.584 1.00 3.43 N1+ ATOM 0 H LYS A 138 3.458 16.238 -12.694 1.00 0.76 H new ATOM 0 HA LYS A 138 0.650 16.704 -13.095 1.00 0.82 H new ATOM 0 HB2 LYS A 138 2.824 14.862 -14.166 1.00 0.99 H new ATOM 0 HB3 LYS A 138 1.167 14.574 -14.659 1.00 0.99 H new ATOM 0 HG2 LYS A 138 0.977 16.927 -15.477 1.00 1.57 H new ATOM 0 HG3 LYS A 138 2.605 17.268 -14.925 1.00 1.57 H new ATOM 0 HD2 LYS A 138 2.760 14.888 -16.540 1.00 2.09 H new ATOM 0 HD3 LYS A 138 1.766 16.030 -17.422 1.00 2.09 H new ATOM 0 HE2 LYS A 138 4.422 16.902 -16.169 1.00 2.74 H new ATOM 0 HE3 LYS A 138 4.365 16.194 -17.771 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 4.059 18.546 -18.027 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 2.539 17.839 -18.296 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 2.870 18.601 -16.815 1.00 3.43 H new ATOM 774 N ASP A 139 1.313 13.689 -11.890 1.00 0.75 N ATOM 775 CA ASP A 139 0.665 12.591 -11.110 1.00 0.78 C ATOM 776 C ASP A 139 0.381 13.072 -9.678 1.00 0.70 C ATOM 777 O ASP A 139 -0.594 12.678 -9.067 1.00 0.81 O ATOM 778 CB ASP A 139 1.665 11.430 -11.118 1.00 0.97 C ATOM 779 CG ASP A 139 0.980 10.150 -10.624 1.00 1.16 C ATOM 780 OD1 ASP A 139 -0.108 9.857 -11.095 1.00 1.66 O ATOM 781 OD2 ASP A 139 1.555 9.482 -9.783 1.00 1.69 O ATOM 0 H ASP A 139 2.277 13.512 -12.172 1.00 0.75 H new ATOM 0 HA ASP A 139 -0.289 12.284 -11.538 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.054 11.280 -12.125 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.516 11.667 -10.480 1.00 0.97 H new ATOM 786 N GLY A 140 1.212 13.944 -9.147 1.00 0.64 N ATOM 787 CA GLY A 140 0.967 14.474 -7.770 1.00 0.62 C ATOM 788 C GLY A 140 -0.307 15.313 -7.805 1.00 0.57 C ATOM 789 O GLY A 140 -1.262 15.038 -7.111 1.00 0.65 O ATOM 0 H GLY A 140 2.045 14.308 -9.609 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.863 13.654 -7.059 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.812 15.078 -7.439 1.00 0.62 H new ATOM 793 N ASP A 141 -0.328 16.319 -8.637 1.00 0.56 N ATOM 794 CA ASP A 141 -1.537 17.176 -8.761 1.00 0.56 C ATOM 795 C ASP A 141 -2.199 16.942 -10.123 1.00 0.58 C ATOM 796 O ASP A 141 -2.118 17.767 -11.014 1.00 0.64 O ATOM 797 CB ASP A 141 -1.032 18.617 -8.645 1.00 0.60 C ATOM 798 CG ASP A 141 -2.115 19.478 -8.000 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.191 19.572 -8.566 1.00 1.23 O ATOM 800 OD2 ASP A 141 -1.855 20.021 -6.946 1.00 1.14 O ATOM 0 H ASP A 141 0.450 16.584 -9.241 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.282 16.954 -7.997 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.121 18.649 -8.047 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -0.780 19.007 -9.631 1.00 0.60 H new ATOM 805 N LYS A 142 -2.856 15.822 -10.291 1.00 0.62 N ATOM 806 CA LYS A 142 -3.526 15.540 -11.599 1.00 0.70 C ATOM 807 C LYS A 142 -4.621 16.584 -11.872 1.00 0.79 C ATOM 808 O LYS A 142 -4.967 16.841 -13.008 1.00 0.92 O ATOM 809 CB LYS A 142 -4.109 14.131 -11.464 1.00 0.79 C ATOM 810 CG LYS A 142 -3.020 13.107 -11.814 1.00 0.88 C ATOM 811 CD LYS A 142 -3.420 11.724 -11.288 1.00 1.37 C ATOM 812 CE LYS A 142 -3.314 11.707 -9.759 1.00 1.79 C ATOM 813 NZ LYS A 142 -2.338 10.624 -9.441 1.00 2.44 N1+ ATOM 0 H LYS A 142 -2.958 15.094 -9.584 1.00 0.62 H new ATOM 0 HA LYS A 142 -2.835 15.597 -12.440 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.468 13.967 -10.448 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -4.966 14.012 -12.128 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -2.878 13.068 -12.894 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -2.068 13.411 -11.378 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -4.439 11.487 -11.595 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -2.772 10.959 -11.716 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -2.971 12.669 -9.378 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -4.283 11.510 -9.300 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -2.837 9.826 -8.999 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -1.878 10.303 -10.317 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -1.617 10.988 -8.785 1.00 2.44 H new ATOM 827 N ASN A 143 -5.143 17.211 -10.841 1.00 0.80 N ATOM 828 CA ASN A 143 -6.183 18.268 -11.051 1.00 0.95 C ATOM 829 C ASN A 143 -5.518 19.543 -11.602 1.00 0.92 C ATOM 830 O ASN A 143 -6.158 20.357 -12.239 1.00 1.08 O ATOM 831 CB ASN A 143 -6.775 18.554 -9.665 1.00 1.07 C ATOM 832 CG ASN A 143 -7.336 17.274 -9.039 1.00 1.36 C ATOM 833 OD1 ASN A 143 -7.995 16.494 -9.696 1.00 1.95 O ATOM 834 ND2 ASN A 143 -7.095 17.025 -7.783 1.00 1.70 N ATOM 0 H ASN A 143 -4.894 17.036 -9.868 1.00 0.80 H new ATOM 0 HA ASN A 143 -6.948 17.949 -11.759 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -6.007 18.975 -9.016 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -7.565 19.300 -9.749 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -7.460 16.175 -7.352 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -6.541 17.680 -7.230 1.00 1.70 H new ATOM 841 N ASN A 144 -4.236 19.719 -11.338 1.00 0.86 N ATOM 842 CA ASN A 144 -3.495 20.934 -11.813 1.00 0.93 C ATOM 843 C ASN A 144 -4.117 22.206 -11.219 1.00 1.03 C ATOM 844 O ASN A 144 -4.261 23.214 -11.889 1.00 1.71 O ATOM 845 CB ASN A 144 -3.599 20.930 -13.346 1.00 1.08 C ATOM 846 CG ASN A 144 -3.124 19.586 -13.910 1.00 1.49 C ATOM 847 OD1 ASN A 144 -3.826 18.956 -14.674 1.00 2.18 O ATOM 848 ND2 ASN A 144 -1.954 19.117 -13.570 1.00 1.97 N ATOM 0 H ASN A 144 -3.668 19.060 -10.806 1.00 0.86 H new ATOM 0 HA ASN A 144 -2.452 20.917 -11.496 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -4.630 21.114 -13.647 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -2.997 21.739 -13.760 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -1.633 18.225 -13.946 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -1.361 19.643 -12.928 1.00 1.97 H new ATOM 855 N ASP A 145 -4.474 22.167 -9.958 1.00 0.88 N ATOM 856 CA ASP A 145 -5.078 23.374 -9.306 1.00 0.92 C ATOM 857 C ASP A 145 -3.985 24.308 -8.750 1.00 0.91 C ATOM 858 O ASP A 145 -4.252 25.453 -8.436 1.00 1.07 O ATOM 859 CB ASP A 145 -5.983 22.853 -8.174 1.00 0.93 C ATOM 860 CG ASP A 145 -5.283 21.759 -7.362 1.00 1.40 C ATOM 861 OD1 ASP A 145 -4.291 22.060 -6.725 1.00 1.89 O ATOM 862 OD2 ASP A 145 -5.757 20.636 -7.387 1.00 2.06 O ATOM 0 H ASP A 145 -4.374 21.353 -9.352 1.00 0.88 H new ATOM 0 HA ASP A 145 -5.649 23.960 -10.026 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -6.258 23.678 -7.516 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -6.908 22.460 -8.596 1.00 0.93 H new ATOM 867 N GLY A 146 -2.758 23.843 -8.641 1.00 0.84 N ATOM 868 CA GLY A 146 -1.665 24.726 -8.124 1.00 0.92 C ATOM 869 C GLY A 146 -1.158 24.255 -6.751 1.00 0.66 C ATOM 870 O GLY A 146 -0.037 24.549 -6.381 1.00 0.74 O ATOM 0 H GLY A 146 -2.471 22.896 -8.887 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -0.838 24.736 -8.834 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -2.030 25.750 -8.046 1.00 0.92 H new ATOM 874 N ARG A 147 -1.954 23.539 -5.988 1.00 0.56 N ATOM 875 CA ARG A 147 -1.472 23.077 -4.643 1.00 0.54 C ATOM 876 C ARG A 147 -1.721 21.575 -4.444 1.00 0.46 C ATOM 877 O ARG A 147 -2.821 21.073 -4.621 1.00 0.45 O ATOM 878 CB ARG A 147 -2.245 23.906 -3.601 1.00 0.77 C ATOM 879 CG ARG A 147 -3.751 23.895 -3.896 1.00 1.39 C ATOM 880 CD ARG A 147 -4.253 25.337 -4.046 1.00 1.79 C ATOM 881 NE ARG A 147 -3.872 25.746 -5.434 1.00 2.55 N ATOM 882 CZ ARG A 147 -3.308 26.903 -5.644 1.00 2.87 C ATOM 883 NH1 ARG A 147 -2.079 27.110 -5.260 1.00 3.37 N1+ ATOM 884 NH2 ARG A 147 -3.969 27.840 -6.261 1.00 3.10 N ATOM 0 H ARG A 147 -2.903 23.258 -6.233 1.00 0.56 H new ATOM 0 HA ARG A 147 -0.396 23.221 -4.545 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -2.063 23.504 -2.604 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -1.878 24.932 -3.603 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -3.950 23.333 -4.808 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -4.287 23.394 -3.090 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -5.332 25.395 -3.901 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -3.796 25.992 -3.304 1.00 1.79 H new ATOM 0 HE ARG A 147 -4.054 25.119 -6.217 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -1.558 26.367 -4.795 1.00 3.37 H new ATOM 0 HH12 ARG A 147 -1.639 28.015 -5.425 1.00 3.37 H new ATOM 0 HH21 ARG A 147 -4.923 27.667 -6.577 1.00 3.10 H new ATOM 0 HH22 ARG A 147 -3.533 28.747 -6.428 1.00 3.10 H new ATOM 898 N ILE A 148 -0.694 20.860 -4.063 1.00 0.49 N ATOM 899 CA ILE A 148 -0.829 19.392 -3.835 1.00 0.44 C ATOM 900 C ILE A 148 -1.398 19.133 -2.433 1.00 0.46 C ATOM 901 O ILE A 148 -1.052 19.805 -1.481 1.00 0.63 O ATOM 902 CB ILE A 148 0.598 18.840 -3.976 1.00 0.46 C ATOM 903 CG1 ILE A 148 1.020 18.889 -5.446 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.654 17.392 -3.502 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.449 18.353 -5.593 1.00 0.63 C ATOM 0 H ILE A 148 0.240 21.235 -3.899 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.511 18.913 -4.538 1.00 0.44 H new ATOM 0 HB ILE A 148 1.269 19.448 -3.369 1.00 0.46 H new ATOM 0 HG12 ILE A 148 0.335 18.295 -6.051 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.966 19.913 -5.816 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.671 17.014 -3.608 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.354 17.340 -2.455 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.023 16.786 -4.104 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.745 18.390 -6.641 1.00 0.63 H new ATOM 0 HD12 ILE A 148 3.130 18.965 -5.002 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.489 17.322 -5.241 1.00 0.63 H new ATOM 917 N ASP A 149 -2.277 18.171 -2.304 1.00 0.48 N ATOM 918 CA ASP A 149 -2.882 17.876 -0.965 1.00 0.53 C ATOM 919 C ASP A 149 -2.553 16.447 -0.507 1.00 0.53 C ATOM 920 O ASP A 149 -1.861 15.706 -1.180 1.00 0.63 O ATOM 921 CB ASP A 149 -4.400 18.057 -1.148 1.00 0.58 C ATOM 922 CG ASP A 149 -4.854 17.461 -2.482 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.989 16.252 -2.553 1.00 1.65 O ATOM 924 OD2 ASP A 149 -5.048 18.227 -3.413 1.00 1.84 O ATOM 0 H ASP A 149 -2.603 17.577 -3.066 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.486 18.539 -0.196 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.931 17.574 -0.328 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.653 19.117 -1.112 1.00 0.58 H new ATOM 929 N TYR A 150 -3.045 16.072 0.649 1.00 0.58 N ATOM 930 CA TYR A 150 -2.779 14.705 1.204 1.00 0.60 C ATOM 931 C TYR A 150 -3.392 13.610 0.317 1.00 0.59 C ATOM 932 O TYR A 150 -2.756 12.614 0.025 1.00 0.63 O ATOM 933 CB TYR A 150 -3.457 14.716 2.579 1.00 0.73 C ATOM 934 CG TYR A 150 -2.774 13.747 3.516 1.00 0.72 C ATOM 935 CD1 TYR A 150 -1.420 13.911 3.837 1.00 1.22 C ATOM 936 CD2 TYR A 150 -3.504 12.694 4.082 1.00 1.15 C ATOM 937 CE1 TYR A 150 -0.799 13.025 4.724 1.00 1.56 C ATOM 938 CE2 TYR A 150 -2.880 11.806 4.965 1.00 1.43 C ATOM 939 CZ TYR A 150 -1.528 11.971 5.288 1.00 1.48 C ATOM 940 OH TYR A 150 -0.914 11.101 6.167 1.00 1.96 O ATOM 0 H TYR A 150 -3.628 16.663 1.241 1.00 0.58 H new ATOM 0 HA TYR A 150 -1.712 14.489 1.257 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -3.424 15.721 2.999 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -4.509 14.449 2.474 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -0.856 14.721 3.400 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -4.548 12.568 3.837 1.00 1.15 H new ATOM 0 HE1 TYR A 150 0.244 13.154 4.974 1.00 1.56 H new ATOM 0 HE2 TYR A 150 -3.442 10.992 5.398 1.00 1.43 H new ATOM 0 HH TYR A 150 -1.561 10.428 6.467 1.00 1.96 H new ATOM 950 N ASP A 151 -4.624 13.782 -0.096 1.00 0.64 N ATOM 951 CA ASP A 151 -5.300 12.750 -0.951 1.00 0.70 C ATOM 952 C ASP A 151 -4.464 12.429 -2.202 1.00 0.63 C ATOM 953 O ASP A 151 -4.161 11.282 -2.473 1.00 0.77 O ATOM 954 CB ASP A 151 -6.643 13.378 -1.342 1.00 0.79 C ATOM 955 CG ASP A 151 -7.569 13.420 -0.123 1.00 1.24 C ATOM 956 OD1 ASP A 151 -7.341 14.250 0.743 1.00 1.83 O ATOM 957 OD2 ASP A 151 -8.492 12.626 -0.077 1.00 1.90 O ATOM 0 H ASP A 151 -5.196 14.598 0.123 1.00 0.64 H new ATOM 0 HA ASP A 151 -5.425 11.806 -0.421 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.486 14.386 -1.726 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -7.106 12.801 -2.142 1.00 0.79 H new ATOM 962 N GLU A 152 -4.090 13.430 -2.962 1.00 0.54 N ATOM 963 CA GLU A 152 -3.275 13.178 -4.194 1.00 0.56 C ATOM 964 C GLU A 152 -1.860 12.694 -3.831 1.00 0.52 C ATOM 965 O GLU A 152 -1.230 11.983 -4.591 1.00 0.65 O ATOM 966 CB GLU A 152 -3.206 14.531 -4.905 1.00 0.60 C ATOM 967 CG GLU A 152 -4.097 14.510 -6.154 1.00 0.77 C ATOM 968 CD GLU A 152 -4.653 15.913 -6.416 1.00 0.72 C ATOM 969 OE1 GLU A 152 -5.424 16.387 -5.602 1.00 1.17 O ATOM 970 OE2 GLU A 152 -4.296 16.496 -7.425 1.00 1.40 O ATOM 0 H GLU A 152 -4.313 14.409 -2.784 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.718 12.402 -4.818 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.530 15.323 -4.230 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.176 14.752 -5.186 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -3.523 14.169 -7.016 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -4.916 13.804 -6.016 1.00 0.77 H new ATOM 977 N PHE A 153 -1.355 13.080 -2.680 1.00 0.46 N ATOM 978 CA PHE A 153 0.023 12.653 -2.266 1.00 0.46 C ATOM 979 C PHE A 153 0.142 11.121 -2.222 1.00 0.50 C ATOM 980 O PHE A 153 1.082 10.555 -2.745 1.00 0.64 O ATOM 981 CB PHE A 153 0.219 13.249 -0.868 1.00 0.49 C ATOM 982 CG PHE A 153 1.689 13.290 -0.525 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.520 14.255 -1.106 1.00 0.52 C ATOM 984 CD2 PHE A 153 2.217 12.367 0.383 1.00 0.62 C ATOM 985 CE1 PHE A 153 3.880 14.295 -0.780 1.00 0.61 C ATOM 986 CE2 PHE A 153 3.577 12.407 0.710 1.00 0.73 C ATOM 987 CZ PHE A 153 4.408 13.370 0.130 1.00 0.68 C ATOM 0 H PHE A 153 -1.840 13.674 -2.008 1.00 0.46 H new ATOM 0 HA PHE A 153 0.779 12.996 -2.972 1.00 0.46 H new ATOM 0 HB2 PHE A 153 -0.200 14.255 -0.831 1.00 0.49 H new ATOM 0 HB3 PHE A 153 -0.318 12.652 -0.131 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.111 14.969 -1.806 1.00 0.52 H new ATOM 0 HD2 PHE A 153 1.575 11.623 0.832 1.00 0.62 H new ATOM 0 HE1 PHE A 153 4.522 15.038 -1.229 1.00 0.61 H new ATOM 0 HE2 PHE A 153 3.985 11.694 1.411 1.00 0.73 H new ATOM 0 HZ PHE A 153 5.457 13.401 0.384 1.00 0.68 H new ATOM 997 N LEU A 154 -0.798 10.450 -1.602 1.00 0.53 N ATOM 998 CA LEU A 154 -0.728 8.954 -1.525 1.00 0.62 C ATOM 999 C LEU A 154 -0.865 8.327 -2.926 1.00 0.65 C ATOM 1000 O LEU A 154 -0.279 7.298 -3.205 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.898 8.531 -0.622 1.00 0.75 C ATOM 1002 CG LEU A 154 -1.500 8.619 0.864 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -0.171 7.896 1.106 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -1.359 10.086 1.281 1.00 1.20 C ATOM 0 H LEU A 154 -1.608 10.870 -1.147 1.00 0.53 H new ATOM 0 HA LEU A 154 0.229 8.617 -1.127 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.760 9.171 -0.811 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -2.199 7.512 -0.863 1.00 0.75 H new ATOM 0 HG LEU A 154 -2.280 8.142 1.458 1.00 0.91 H new ATOM 0 HD11 LEU A 154 0.095 7.968 2.160 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -0.272 6.847 0.828 1.00 1.65 H new ATOM 0 HD13 LEU A 154 0.610 8.358 0.502 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -1.078 10.140 2.333 1.00 1.20 H new ATOM 0 HD22 LEU A 154 -0.590 10.564 0.675 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -2.309 10.599 1.133 1.00 1.20 H new ATOM 1016 N GLU A 155 -1.625 8.938 -3.808 1.00 0.69 N ATOM 1017 CA GLU A 155 -1.788 8.371 -5.189 1.00 0.81 C ATOM 1018 C GLU A 155 -0.545 8.643 -6.060 1.00 0.76 C ATOM 1019 O GLU A 155 -0.365 8.025 -7.093 1.00 0.90 O ATOM 1020 CB GLU A 155 -3.016 9.077 -5.777 1.00 0.97 C ATOM 1021 CG GLU A 155 -3.996 8.033 -6.328 1.00 1.41 C ATOM 1022 CD GLU A 155 -3.529 7.557 -7.705 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -3.717 8.290 -8.662 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -2.988 6.466 -7.781 1.00 2.77 O ATOM 0 H GLU A 155 -2.138 9.802 -3.632 1.00 0.69 H new ATOM 0 HA GLU A 155 -1.910 7.288 -5.158 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -3.504 9.679 -5.010 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.711 9.758 -6.571 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -4.062 7.187 -5.644 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -4.995 8.462 -6.401 1.00 1.41 H new ATOM 1031 N PHE A 156 0.311 9.558 -5.664 1.00 0.66 N ATOM 1032 CA PHE A 156 1.531 9.853 -6.486 1.00 0.77 C ATOM 1033 C PHE A 156 2.703 8.941 -6.088 1.00 0.71 C ATOM 1034 O PHE A 156 3.532 8.600 -6.911 1.00 0.88 O ATOM 1035 CB PHE A 156 1.876 11.317 -6.191 1.00 0.84 C ATOM 1036 CG PHE A 156 3.250 11.630 -6.741 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.441 11.736 -8.121 1.00 1.09 C ATOM 1038 CD2 PHE A 156 4.331 11.803 -5.871 1.00 1.49 C ATOM 1039 CE1 PHE A 156 4.712 12.016 -8.634 1.00 1.31 C ATOM 1040 CE2 PHE A 156 5.604 12.083 -6.382 1.00 1.72 C ATOM 1041 CZ PHE A 156 5.795 12.190 -7.764 1.00 1.53 C ATOM 0 H PHE A 156 0.219 10.111 -4.812 1.00 0.66 H new ATOM 0 HA PHE A 156 1.346 9.678 -7.546 1.00 0.77 H new ATOM 0 HB2 PHE A 156 1.133 11.975 -6.642 1.00 0.84 H new ATOM 0 HB3 PHE A 156 1.852 11.498 -5.116 1.00 0.84 H new ATOM 0 HD1 PHE A 156 2.606 11.602 -8.793 1.00 1.09 H new ATOM 0 HD2 PHE A 156 4.184 11.721 -4.804 1.00 1.49 H new ATOM 0 HE1 PHE A 156 4.858 12.098 -9.701 1.00 1.31 H new ATOM 0 HE2 PHE A 156 6.439 12.216 -5.710 1.00 1.72 H new ATOM 0 HZ PHE A 156 6.777 12.407 -8.159 1.00 1.53 H new ATOM 1051 N MET A 157 2.788 8.558 -4.834 1.00 0.61 N ATOM 1052 CA MET A 157 3.919 7.682 -4.375 1.00 0.69 C ATOM 1053 C MET A 157 4.075 6.436 -5.268 1.00 0.83 C ATOM 1054 O MET A 157 5.147 5.868 -5.359 1.00 1.17 O ATOM 1055 CB MET A 157 3.554 7.272 -2.945 1.00 0.84 C ATOM 1056 CG MET A 157 3.988 8.362 -1.957 1.00 0.92 C ATOM 1057 SD MET A 157 5.657 8.938 -2.364 1.00 1.56 S ATOM 1058 CE MET A 157 6.442 8.541 -0.784 1.00 0.90 C ATOM 0 H MET A 157 2.121 8.815 -4.106 1.00 0.61 H new ATOM 0 HA MET A 157 4.871 8.210 -4.427 1.00 0.69 H new ATOM 0 HB2 MET A 157 2.479 7.108 -2.869 1.00 0.84 H new ATOM 0 HB3 MET A 157 4.039 6.329 -2.694 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.288 9.196 -1.993 1.00 0.92 H new ATOM 0 HG3 MET A 157 3.967 7.971 -0.940 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.418 9.022 -0.732 1.00 0.90 H new ATOM 0 HE2 MET A 157 5.816 8.900 0.033 1.00 0.90 H new ATOM 0 HE3 MET A 157 6.565 7.461 -0.700 1.00 0.90 H new ATOM 1068 N LYS A 158 3.020 6.009 -5.921 1.00 0.86 N ATOM 1069 CA LYS A 158 3.108 4.800 -6.801 1.00 1.07 C ATOM 1070 C LYS A 158 4.161 4.982 -7.914 1.00 1.36 C ATOM 1071 O LYS A 158 4.739 4.018 -8.381 1.00 1.73 O ATOM 1072 CB LYS A 158 1.704 4.643 -7.402 1.00 1.28 C ATOM 1073 CG LYS A 158 1.443 5.748 -8.433 1.00 1.66 C ATOM 1074 CD LYS A 158 0.155 5.438 -9.198 1.00 2.24 C ATOM 1075 CE LYS A 158 -0.052 6.485 -10.296 1.00 2.85 C ATOM 1076 NZ LYS A 158 -0.999 7.477 -9.714 1.00 3.52 N1+ ATOM 0 H LYS A 158 2.100 6.447 -5.882 1.00 0.86 H new ATOM 0 HA LYS A 158 3.419 3.920 -6.239 1.00 1.07 H new ATOM 0 HB2 LYS A 158 1.610 3.665 -7.874 1.00 1.28 H new ATOM 0 HB3 LYS A 158 0.955 4.689 -6.612 1.00 1.28 H new ATOM 0 HG2 LYS A 158 1.359 6.713 -7.934 1.00 1.66 H new ATOM 0 HG3 LYS A 158 2.282 5.819 -9.126 1.00 1.66 H new ATOM 0 HD2 LYS A 158 0.211 4.442 -9.637 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -0.695 5.438 -8.516 1.00 2.24 H new ATOM 0 HE2 LYS A 158 0.891 6.956 -10.574 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -0.461 6.033 -11.200 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -0.872 8.396 -10.184 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -1.976 7.148 -9.854 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -0.812 7.580 -8.696 1.00 3.52 H new