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 -164:sc= -0.0224 (180deg=-0.303) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0.185 (180deg=0.185) USER MOD Single : A 107 ASN : amide:sc= 1.24 K(o=1.2,f=-0.31) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -174:sc= 0.186 (180deg=0.128) USER MOD Single : A 120 MET CE :methyl -134:sc= -1.68 (180deg=-5.1) USER MOD Single : A 122 GLN : amide:sc= 0.0715 X(o=0.071,f=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.00304 USER MOD Single : A 129 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 137 MET CE :methyl -116:sc= -2.2 (180deg=-6.68!) USER MOD Single : A 138 LYS NZ :NH3+ -169:sc= 0.413 (180deg=0.0542) USER MOD Single : A 142 LYS NZ :NH3+ -166:sc= 2.71 (180deg=2.25) USER MOD Single : A 143 ASN : amide:sc= -0.0128 X(o=-0.013,f=-0.085) USER MOD Single : A 144 ASN : amide:sc=-0.00808 X(o=-0.0081,f=0) USER MOD Single : A 150 TYR OH : rot -155:sc= 0.00813 USER MOD Single : A 157 MET CE :methyl -178:sc= -1.39 (180deg=-1.54) USER MOD Single : A 158 LYS NZ :NH3+ -167:sc= 1.12 (180deg=0.995) USER MOD ----------------------------------------------------------------- ATOM 60 N GLU A 94 2.066 5.859 5.688 1.00 1.26 N ATOM 61 CA GLU A 94 1.911 7.286 6.121 1.00 1.17 C ATOM 62 C GLU A 94 2.709 7.581 7.405 1.00 1.12 C ATOM 63 O GLU A 94 2.945 8.729 7.730 1.00 1.09 O ATOM 64 CB GLU A 94 0.413 7.482 6.331 1.00 1.33 C ATOM 65 CG GLU A 94 -0.206 7.926 5.001 1.00 1.28 C ATOM 66 CD GLU A 94 -1.578 7.273 4.820 1.00 1.44 C ATOM 67 OE1 GLU A 94 -1.615 6.095 4.508 1.00 1.94 O ATOM 68 OE2 GLU A 94 -2.568 7.965 4.994 1.00 2.09 O ATOM 0 HA GLU A 94 2.305 7.976 5.375 1.00 1.17 H new ATOM 0 HB2 GLU A 94 -0.047 6.555 6.673 1.00 1.33 H new ATOM 0 HB3 GLU A 94 0.233 8.231 7.102 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -0.305 9.011 4.980 1.00 1.28 H new ATOM 0 HG3 GLU A 94 0.449 7.650 4.175 1.00 1.28 H new ATOM 75 N GLU A 95 3.155 6.566 8.120 1.00 1.19 N ATOM 76 CA GLU A 95 3.971 6.819 9.356 1.00 1.23 C ATOM 77 C GLU A 95 5.165 7.706 8.987 1.00 1.03 C ATOM 78 O GLU A 95 5.419 8.721 9.605 1.00 1.01 O ATOM 79 CB GLU A 95 4.471 5.444 9.820 1.00 1.45 C ATOM 80 CG GLU A 95 3.285 4.515 10.120 1.00 1.90 C ATOM 81 CD GLU A 95 3.444 3.186 9.365 1.00 2.12 C ATOM 82 OE1 GLU A 95 4.572 2.751 9.177 1.00 2.66 O ATOM 83 OE2 GLU A 95 2.431 2.620 8.994 1.00 2.49 O ATOM 0 H GLU A 95 2.990 5.583 7.902 1.00 1.19 H new ATOM 0 HA GLU A 95 3.395 7.317 10.136 1.00 1.23 H new ATOM 0 HB2 GLU A 95 5.102 5.001 9.050 1.00 1.45 H new ATOM 0 HB3 GLU A 95 5.088 5.556 10.712 1.00 1.45 H new ATOM 0 HG2 GLU A 95 3.224 4.327 11.192 1.00 1.90 H new ATOM 0 HG3 GLU A 95 2.353 4.998 9.827 1.00 1.90 H new ATOM 90 N GLU A 96 5.877 7.325 7.954 1.00 1.02 N ATOM 91 CA GLU A 96 7.046 8.128 7.485 1.00 0.94 C ATOM 92 C GLU A 96 6.596 9.065 6.356 1.00 0.79 C ATOM 93 O GLU A 96 7.098 10.163 6.209 1.00 0.82 O ATOM 94 CB GLU A 96 8.047 7.093 6.962 1.00 1.15 C ATOM 95 CG GLU A 96 9.463 7.677 6.999 1.00 1.62 C ATOM 96 CD GLU A 96 10.322 7.011 5.921 1.00 1.99 C ATOM 97 OE1 GLU A 96 10.746 5.887 6.138 1.00 2.18 O ATOM 98 OE2 GLU A 96 10.546 7.633 4.897 1.00 2.78 O ATOM 0 H GLU A 96 5.694 6.481 7.411 1.00 1.02 H new ATOM 0 HA GLU A 96 7.480 8.748 8.270 1.00 0.94 H new ATOM 0 HB2 GLU A 96 8.000 6.189 7.569 1.00 1.15 H new ATOM 0 HB3 GLU A 96 7.788 6.806 5.943 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.427 8.754 6.836 1.00 1.62 H new ATOM 0 HG3 GLU A 96 9.907 7.518 7.982 1.00 1.62 H new ATOM 105 N LEU A 97 5.638 8.629 5.566 1.00 0.77 N ATOM 106 CA LEU A 97 5.121 9.470 4.440 1.00 0.71 C ATOM 107 C LEU A 97 4.605 10.819 4.970 1.00 0.67 C ATOM 108 O LEU A 97 4.771 11.844 4.336 1.00 0.75 O ATOM 109 CB LEU A 97 3.973 8.650 3.837 1.00 0.80 C ATOM 110 CG LEU A 97 4.427 8.001 2.530 1.00 0.77 C ATOM 111 CD1 LEU A 97 4.309 6.477 2.634 1.00 1.40 C ATOM 112 CD2 LEU A 97 3.551 8.510 1.385 1.00 1.22 C ATOM 0 H LEU A 97 5.190 7.717 5.657 1.00 0.77 H new ATOM 0 HA LEU A 97 5.893 9.699 3.705 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.653 7.883 4.542 1.00 0.80 H new ATOM 0 HB3 LEU A 97 3.112 9.293 3.654 1.00 0.80 H new ATOM 0 HG LEU A 97 5.468 8.262 2.339 1.00 0.77 H new ATOM 0 HD11 LEU A 97 4.634 6.022 1.698 1.00 1.40 H new ATOM 0 HD12 LEU A 97 4.937 6.118 3.450 1.00 1.40 H new ATOM 0 HD13 LEU A 97 3.272 6.205 2.828 1.00 1.40 H new ATOM 0 HD21 LEU A 97 3.871 8.050 0.450 1.00 1.22 H new ATOM 0 HD22 LEU A 97 2.510 8.250 1.580 1.00 1.22 H new ATOM 0 HD23 LEU A 97 3.646 9.593 1.308 1.00 1.22 H new ATOM 124 N SER A 98 3.988 10.823 6.133 1.00 0.69 N ATOM 125 CA SER A 98 3.468 12.104 6.718 1.00 0.76 C ATOM 126 C SER A 98 4.591 13.148 6.790 1.00 0.72 C ATOM 127 O SER A 98 4.435 14.268 6.340 1.00 0.77 O ATOM 128 CB SER A 98 2.989 11.735 8.125 1.00 0.92 C ATOM 129 OG SER A 98 2.879 12.914 8.915 1.00 1.57 O ATOM 0 H SER A 98 3.823 9.993 6.702 1.00 0.69 H new ATOM 0 HA SER A 98 2.669 12.537 6.116 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.025 11.230 8.071 1.00 0.92 H new ATOM 0 HB3 SER A 98 3.689 11.039 8.588 1.00 0.92 H new ATOM 0 HG SER A 98 2.571 12.677 9.815 1.00 1.57 H new ATOM 135 N ASP A 99 5.725 12.782 7.342 1.00 0.80 N ATOM 136 CA ASP A 99 6.870 13.743 7.434 1.00 0.86 C ATOM 137 C ASP A 99 7.267 14.219 6.032 1.00 0.81 C ATOM 138 O ASP A 99 7.538 15.383 5.816 1.00 0.91 O ATOM 139 CB ASP A 99 8.013 12.947 8.074 1.00 1.02 C ATOM 140 CG ASP A 99 8.549 13.702 9.290 1.00 1.23 C ATOM 141 OD1 ASP A 99 9.104 14.772 9.103 1.00 1.79 O ATOM 142 OD2 ASP A 99 8.392 13.199 10.389 1.00 1.83 O ATOM 0 H ASP A 99 5.906 11.858 7.733 1.00 0.80 H new ATOM 0 HA ASP A 99 6.620 14.630 8.016 1.00 0.86 H new ATOM 0 HB2 ASP A 99 7.659 11.961 8.373 1.00 1.02 H new ATOM 0 HB3 ASP A 99 8.812 12.792 7.349 1.00 1.02 H new ATOM 147 N LEU A 100 7.292 13.316 5.081 1.00 0.75 N ATOM 148 CA LEU A 100 7.658 13.681 3.675 1.00 0.76 C ATOM 149 C LEU A 100 6.807 14.859 3.164 1.00 0.68 C ATOM 150 O LEU A 100 7.253 15.644 2.354 1.00 0.79 O ATOM 151 CB LEU A 100 7.358 12.417 2.861 1.00 0.86 C ATOM 152 CG LEU A 100 8.102 12.466 1.524 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.409 11.678 1.629 1.00 1.41 C ATOM 154 CD2 LEU A 100 7.227 11.847 0.432 1.00 1.41 C ATOM 0 H LEU A 100 7.072 12.330 5.221 1.00 0.75 H new ATOM 0 HA LEU A 100 8.698 13.999 3.595 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.660 11.533 3.422 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.285 12.333 2.687 1.00 0.86 H new ATOM 0 HG LEU A 100 8.324 13.504 1.275 1.00 0.79 H new ATOM 0 HD11 LEU A 100 9.934 11.716 0.675 1.00 1.41 H new ATOM 0 HD12 LEU A 100 10.036 12.115 2.406 1.00 1.41 H new ATOM 0 HD13 LEU A 100 9.189 10.641 1.881 1.00 1.41 H new ATOM 0 HD21 LEU A 100 7.755 11.881 -0.521 1.00 1.41 H new ATOM 0 HD22 LEU A 100 7.006 10.811 0.687 1.00 1.41 H new ATOM 0 HD23 LEU A 100 6.296 12.408 0.351 1.00 1.41 H new ATOM 166 N PHE A 101 5.585 14.981 3.623 1.00 0.60 N ATOM 167 CA PHE A 101 4.710 16.100 3.149 1.00 0.59 C ATOM 168 C PHE A 101 4.997 17.400 3.921 1.00 0.60 C ATOM 169 O PHE A 101 5.349 18.406 3.336 1.00 0.72 O ATOM 170 CB PHE A 101 3.276 15.616 3.415 1.00 0.61 C ATOM 171 CG PHE A 101 2.297 16.348 2.521 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.328 17.745 2.426 1.00 0.68 C ATOM 173 CD2 PHE A 101 1.350 15.622 1.792 1.00 0.86 C ATOM 174 CE1 PHE A 101 1.416 18.413 1.603 1.00 0.73 C ATOM 175 CE2 PHE A 101 0.435 16.290 0.969 1.00 0.90 C ATOM 176 CZ PHE A 101 0.468 17.685 0.874 1.00 0.69 C ATOM 0 H PHE A 101 5.156 14.355 4.305 1.00 0.60 H new ATOM 0 HA PHE A 101 4.882 16.331 2.098 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.209 14.543 3.237 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.017 15.782 4.461 1.00 0.61 H new ATOM 0 HD1 PHE A 101 3.058 18.307 2.990 1.00 0.68 H new ATOM 0 HD2 PHE A 101 1.324 14.545 1.864 1.00 0.86 H new ATOM 0 HE1 PHE A 101 1.443 19.490 1.530 1.00 0.73 H new ATOM 0 HE2 PHE A 101 -0.296 15.728 0.407 1.00 0.90 H new ATOM 0 HZ PHE A 101 -0.237 18.200 0.239 1.00 0.69 H new ATOM 186 N ARG A 102 4.824 17.392 5.221 1.00 0.67 N ATOM 187 CA ARG A 102 5.054 18.639 6.027 1.00 0.76 C ATOM 188 C ARG A 102 6.529 19.082 6.016 1.00 0.68 C ATOM 189 O ARG A 102 6.819 20.261 6.084 1.00 0.78 O ATOM 190 CB ARG A 102 4.592 18.298 7.451 1.00 0.99 C ATOM 191 CG ARG A 102 5.424 17.146 8.028 1.00 1.30 C ATOM 192 CD ARG A 102 4.516 16.223 8.846 1.00 1.45 C ATOM 193 NE ARG A 102 5.045 16.291 10.238 1.00 2.12 N ATOM 194 CZ ARG A 102 5.889 15.394 10.663 1.00 2.71 C ATOM 195 NH1 ARG A 102 5.560 14.131 10.652 1.00 3.07 N ATOM 196 NH2 ARG A 102 7.055 15.763 11.109 1.00 3.37 N1+ ATOM 0 H ARG A 102 4.533 16.577 5.761 1.00 0.67 H new ATOM 0 HA ARG A 102 4.501 19.478 5.606 1.00 0.76 H new ATOM 0 HB2 ARG A 102 4.686 19.176 8.089 1.00 0.99 H new ATOM 0 HB3 ARG A 102 3.537 18.022 7.441 1.00 0.99 H new ATOM 0 HG2 ARG A 102 5.899 16.586 7.222 1.00 1.30 H new ATOM 0 HG3 ARG A 102 6.223 17.539 8.657 1.00 1.30 H new ATOM 0 HD2 ARG A 102 3.478 16.552 8.802 1.00 1.45 H new ATOM 0 HD3 ARG A 102 4.544 15.203 8.463 1.00 1.45 H new ATOM 0 HE ARG A 102 4.745 17.042 10.860 1.00 2.12 H new ATOM 0 HH11 ARG A 102 4.642 13.846 10.311 1.00 3.07 H new ATOM 0 HH12 ARG A 102 6.221 13.429 10.985 1.00 3.07 H new ATOM 0 HH21 ARG A 102 7.305 16.752 11.125 1.00 3.37 H new ATOM 0 HH22 ARG A 102 7.718 15.063 11.443 1.00 3.37 H new ATOM 210 N MET A 103 7.459 18.163 5.933 1.00 0.71 N ATOM 211 CA MET A 103 8.903 18.564 5.919 1.00 0.75 C ATOM 212 C MET A 103 9.268 19.210 4.573 1.00 0.68 C ATOM 213 O MET A 103 9.957 20.212 4.528 1.00 0.83 O ATOM 214 CB MET A 103 9.692 17.267 6.132 1.00 0.93 C ATOM 215 CG MET A 103 11.062 17.594 6.732 1.00 1.27 C ATOM 216 SD MET A 103 12.234 17.952 5.399 1.00 1.82 S ATOM 217 CE MET A 103 12.720 19.604 5.959 1.00 2.43 C ATOM 0 H MET A 103 7.285 17.160 5.875 1.00 0.71 H new ATOM 0 HA MET A 103 9.127 19.300 6.691 1.00 0.75 H new ATOM 0 HB2 MET A 103 9.143 16.600 6.796 1.00 0.93 H new ATOM 0 HB3 MET A 103 9.814 16.744 5.184 1.00 0.93 H new ATOM 0 HG2 MET A 103 10.983 18.451 7.401 1.00 1.27 H new ATOM 0 HG3 MET A 103 11.419 16.755 7.329 1.00 1.27 H new ATOM 0 HE1 MET A 103 13.219 20.132 5.146 1.00 2.43 H new ATOM 0 HE2 MET A 103 11.833 20.161 6.263 1.00 2.43 H new ATOM 0 HE3 MET A 103 13.401 19.516 6.806 1.00 2.43 H new ATOM 227 N PHE A 104 8.813 18.649 3.478 1.00 0.68 N ATOM 228 CA PHE A 104 9.140 19.243 2.142 1.00 0.79 C ATOM 229 C PHE A 104 8.270 20.484 1.855 1.00 0.71 C ATOM 230 O PHE A 104 8.593 21.276 0.990 1.00 0.88 O ATOM 231 CB PHE A 104 8.865 18.131 1.120 1.00 0.94 C ATOM 232 CG PHE A 104 10.042 17.174 1.062 1.00 1.31 C ATOM 233 CD1 PHE A 104 11.356 17.659 1.127 1.00 1.26 C ATOM 234 CD2 PHE A 104 9.816 15.797 0.940 1.00 2.03 C ATOM 235 CE1 PHE A 104 12.436 16.770 1.072 1.00 1.86 C ATOM 236 CE2 PHE A 104 10.897 14.909 0.885 1.00 2.65 C ATOM 237 CZ PHE A 104 12.207 15.396 0.951 1.00 2.56 C ATOM 0 H PHE A 104 8.233 17.811 3.451 1.00 0.68 H new ATOM 0 HA PHE A 104 10.175 19.583 2.099 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.959 17.590 1.394 1.00 0.94 H new ATOM 0 HB3 PHE A 104 8.691 18.566 0.136 1.00 0.94 H new ATOM 0 HD1 PHE A 104 11.535 18.720 1.220 1.00 1.26 H new ATOM 0 HD2 PHE A 104 8.805 15.419 0.888 1.00 2.03 H new ATOM 0 HE1 PHE A 104 13.447 17.146 1.123 1.00 1.86 H new ATOM 0 HE2 PHE A 104 10.720 13.848 0.792 1.00 2.65 H new ATOM 0 HZ PHE A 104 13.041 14.711 0.909 1.00 2.56 H new ATOM 247 N ASP A 105 7.183 20.669 2.576 1.00 0.61 N ATOM 248 CA ASP A 105 6.313 21.869 2.341 1.00 0.60 C ATOM 249 C ASP A 105 7.050 23.146 2.787 1.00 0.56 C ATOM 250 O ASP A 105 6.964 23.562 3.927 1.00 0.63 O ATOM 251 CB ASP A 105 5.056 21.630 3.194 1.00 0.68 C ATOM 252 CG ASP A 105 3.898 22.481 2.667 1.00 0.86 C ATOM 253 OD1 ASP A 105 3.432 22.209 1.577 1.00 0.84 O ATOM 254 OD2 ASP A 105 3.491 23.392 3.365 1.00 1.45 O ATOM 0 H ASP A 105 6.863 20.042 3.314 1.00 0.61 H new ATOM 0 HA ASP A 105 6.060 22.001 1.289 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.784 20.575 3.168 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.259 21.882 4.235 1.00 0.68 H new ATOM 259 N LYS A 106 7.784 23.762 1.892 1.00 0.59 N ATOM 260 CA LYS A 106 8.543 25.003 2.255 1.00 0.66 C ATOM 261 C LYS A 106 7.592 26.173 2.534 1.00 0.55 C ATOM 262 O LYS A 106 7.866 27.009 3.374 1.00 0.63 O ATOM 263 CB LYS A 106 9.424 25.305 1.040 1.00 0.87 C ATOM 264 CG LYS A 106 10.838 25.670 1.507 1.00 1.21 C ATOM 265 CD LYS A 106 11.671 24.396 1.687 1.00 1.61 C ATOM 266 CE LYS A 106 11.538 23.885 3.130 1.00 1.77 C ATOM 267 NZ LYS A 106 10.902 22.544 3.015 1.00 2.14 N1+ ATOM 0 H LYS A 106 7.891 23.459 0.924 1.00 0.59 H new ATOM 0 HA LYS A 106 9.129 24.862 3.163 1.00 0.66 H new ATOM 0 HB2 LYS A 106 9.461 24.438 0.380 1.00 0.87 H new ATOM 0 HB3 LYS A 106 8.997 26.126 0.464 1.00 0.87 H new ATOM 0 HG2 LYS A 106 11.313 26.326 0.778 1.00 1.21 H new ATOM 0 HG3 LYS A 106 10.790 26.220 2.447 1.00 1.21 H new ATOM 0 HD2 LYS A 106 11.336 23.630 0.988 1.00 1.61 H new ATOM 0 HD3 LYS A 106 12.717 24.600 1.459 1.00 1.61 H new ATOM 0 HE2 LYS A 106 12.512 23.818 3.615 1.00 1.77 H new ATOM 0 HE3 LYS A 106 10.928 24.559 3.731 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 10.780 22.135 3.963 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 9.973 22.638 2.557 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 11.508 21.920 2.444 1.00 2.14 H new ATOM 281 N ASN A 107 6.480 26.242 1.846 1.00 0.48 N ATOM 282 CA ASN A 107 5.524 27.365 2.093 1.00 0.50 C ATOM 283 C ASN A 107 4.814 27.178 3.450 1.00 0.58 C ATOM 284 O ASN A 107 4.351 28.128 4.049 1.00 0.70 O ATOM 285 CB ASN A 107 4.532 27.315 0.932 1.00 0.54 C ATOM 286 CG ASN A 107 3.743 28.621 0.871 1.00 0.70 C ATOM 287 OD1 ASN A 107 4.311 29.688 0.757 1.00 1.00 O ATOM 288 ND2 ASN A 107 2.447 28.578 0.938 1.00 0.78 N ATOM 0 H ASN A 107 6.194 25.575 1.129 1.00 0.48 H new ATOM 0 HA ASN A 107 6.026 28.331 2.142 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.064 27.156 -0.006 1.00 0.54 H new ATOM 0 HB3 ASN A 107 3.851 26.473 1.059 1.00 0.54 H new ATOM 0 HD21 ASN A 107 1.905 29.441 0.895 1.00 0.78 H new ATOM 0 HD22 ASN A 107 1.971 27.681 1.034 1.00 0.78 H new ATOM 295 N ALA A 108 4.760 25.956 3.938 1.00 0.65 N ATOM 296 CA ALA A 108 4.129 25.657 5.270 1.00 0.84 C ATOM 297 C ALA A 108 2.637 26.041 5.341 1.00 0.78 C ATOM 298 O ALA A 108 2.257 26.950 6.055 1.00 0.96 O ATOM 299 CB ALA A 108 4.945 26.461 6.288 1.00 1.03 C ATOM 0 H ALA A 108 5.135 25.137 3.459 1.00 0.65 H new ATOM 0 HA ALA A 108 4.146 24.584 5.463 1.00 0.84 H new ATOM 0 HB1 ALA A 108 4.544 26.295 7.288 1.00 1.03 H new ATOM 0 HB2 ALA A 108 5.986 26.139 6.256 1.00 1.03 H new ATOM 0 HB3 ALA A 108 4.886 27.522 6.045 1.00 1.03 H new ATOM 305 N ASP A 109 1.786 25.323 4.646 1.00 0.73 N ATOM 306 CA ASP A 109 0.316 25.617 4.722 1.00 0.74 C ATOM 307 C ASP A 109 -0.527 24.320 4.626 1.00 0.78 C ATOM 308 O ASP A 109 -1.741 24.374 4.562 1.00 0.96 O ATOM 309 CB ASP A 109 0.009 26.593 3.566 1.00 0.72 C ATOM 310 CG ASP A 109 0.224 25.946 2.190 1.00 1.15 C ATOM 311 OD1 ASP A 109 -0.072 24.779 2.032 1.00 1.66 O ATOM 312 OD2 ASP A 109 0.681 26.641 1.305 1.00 1.95 O ATOM 0 H ASP A 109 2.043 24.550 4.032 1.00 0.73 H new ATOM 0 HA ASP A 109 0.053 26.063 5.681 1.00 0.74 H new ATOM 0 HB2 ASP A 109 -1.022 26.937 3.647 1.00 0.72 H new ATOM 0 HB3 ASP A 109 0.647 27.473 3.656 1.00 0.72 H new ATOM 317 N GLY A 110 0.102 23.157 4.631 1.00 0.76 N ATOM 318 CA GLY A 110 -0.671 21.875 4.555 1.00 0.85 C ATOM 319 C GLY A 110 -0.631 21.285 3.134 1.00 0.70 C ATOM 320 O GLY A 110 -0.682 20.084 2.962 1.00 0.73 O ATOM 0 H GLY A 110 1.115 23.047 4.684 1.00 0.76 H new ATOM 0 HA2 GLY A 110 -0.258 21.156 5.262 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.705 22.053 4.849 1.00 0.85 H new ATOM 324 N TYR A 111 -0.561 22.113 2.119 1.00 0.68 N ATOM 325 CA TYR A 111 -0.542 21.595 0.710 1.00 0.60 C ATOM 326 C TYR A 111 0.732 22.051 -0.020 1.00 0.58 C ATOM 327 O TYR A 111 1.112 23.204 0.045 1.00 0.83 O ATOM 328 CB TYR A 111 -1.785 22.208 0.053 1.00 0.68 C ATOM 329 CG TYR A 111 -3.030 21.730 0.771 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.424 22.339 1.970 1.00 0.78 C ATOM 331 CD2 TYR A 111 -3.786 20.674 0.244 1.00 0.71 C ATOM 332 CE1 TYR A 111 -4.569 21.893 2.639 1.00 0.83 C ATOM 333 CE2 TYR A 111 -4.933 20.230 0.915 1.00 0.78 C ATOM 334 CZ TYR A 111 -5.322 20.839 2.113 1.00 0.80 C ATOM 335 OH TYR A 111 -6.450 20.401 2.775 1.00 0.90 O ATOM 0 H TYR A 111 -0.516 23.128 2.204 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.548 20.506 0.673 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.728 23.296 0.089 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.829 21.925 -0.999 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.843 23.153 2.378 1.00 0.78 H new ATOM 0 HD2 TYR A 111 -3.484 20.202 -0.680 1.00 0.71 H new ATOM 0 HE1 TYR A 111 -4.872 22.363 3.563 1.00 0.83 H new ATOM 0 HE2 TYR A 111 -5.517 19.418 0.508 1.00 0.78 H new ATOM 0 HH TYR A 111 -6.857 19.663 2.275 1.00 0.90 H new ATOM 345 N ILE A 112 1.390 21.156 -0.719 1.00 0.50 N ATOM 346 CA ILE A 112 2.639 21.544 -1.455 1.00 0.50 C ATOM 347 C ILE A 112 2.288 22.084 -2.848 1.00 0.49 C ATOM 348 O ILE A 112 1.508 21.498 -3.574 1.00 0.66 O ATOM 349 CB ILE A 112 3.471 20.254 -1.557 1.00 0.50 C ATOM 350 CG1 ILE A 112 4.263 20.063 -0.257 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.449 20.350 -2.738 1.00 0.58 C ATOM 352 CD1 ILE A 112 5.065 18.763 -0.316 1.00 0.66 C ATOM 0 H ILE A 112 1.119 20.177 -0.812 1.00 0.50 H new ATOM 0 HA ILE A 112 3.190 22.333 -0.943 1.00 0.50 H new ATOM 0 HB ILE A 112 2.803 19.407 -1.715 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.935 20.907 -0.104 1.00 0.62 H new ATOM 0 HG13 ILE A 112 3.581 20.040 0.593 1.00 0.62 H new ATOM 0 HG21 ILE A 112 5.033 19.432 -2.802 1.00 0.58 H new ATOM 0 HG22 ILE A 112 3.890 20.489 -3.663 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.119 21.197 -2.588 1.00 0.58 H new ATOM 0 HD11 ILE A 112 5.623 18.637 0.612 1.00 0.66 H new ATOM 0 HD12 ILE A 112 4.385 17.921 -0.447 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.760 18.802 -1.155 1.00 0.66 H new ATOM 364 N ASP A 113 2.864 23.196 -3.223 1.00 0.47 N ATOM 365 CA ASP A 113 2.576 23.781 -4.566 1.00 0.50 C ATOM 366 C ASP A 113 3.679 23.401 -5.563 1.00 0.50 C ATOM 367 O ASP A 113 4.633 22.726 -5.223 1.00 0.57 O ATOM 368 CB ASP A 113 2.545 25.296 -4.343 1.00 0.60 C ATOM 369 CG ASP A 113 1.416 25.915 -5.171 1.00 1.17 C ATOM 370 OD1 ASP A 113 1.610 26.095 -6.362 1.00 1.85 O ATOM 371 OD2 ASP A 113 0.376 26.197 -4.601 1.00 1.77 O ATOM 0 H ASP A 113 3.524 23.726 -2.654 1.00 0.47 H new ATOM 0 HA ASP A 113 1.638 23.413 -4.982 1.00 0.50 H new ATOM 0 HB2 ASP A 113 2.396 25.515 -3.286 1.00 0.60 H new ATOM 0 HB3 ASP A 113 3.501 25.735 -4.628 1.00 0.60 H new ATOM 376 N LEU A 114 3.548 23.829 -6.794 1.00 0.52 N ATOM 377 CA LEU A 114 4.579 23.495 -7.830 1.00 0.57 C ATOM 378 C LEU A 114 5.968 24.016 -7.427 1.00 0.63 C ATOM 379 O LEU A 114 6.958 23.327 -7.585 1.00 0.80 O ATOM 380 CB LEU A 114 4.097 24.176 -9.115 1.00 0.62 C ATOM 381 CG LEU A 114 3.302 23.169 -9.954 1.00 0.61 C ATOM 382 CD1 LEU A 114 2.392 23.915 -10.935 1.00 0.91 C ATOM 383 CD2 LEU A 114 4.275 22.282 -10.735 1.00 0.81 C ATOM 0 H LEU A 114 2.770 24.397 -7.129 1.00 0.52 H new ATOM 0 HA LEU A 114 4.685 22.417 -7.953 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.474 25.037 -8.872 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.949 24.549 -9.684 1.00 0.62 H new ATOM 0 HG LEU A 114 2.690 22.553 -9.295 1.00 0.61 H new ATOM 0 HD11 LEU A 114 1.829 23.195 -11.529 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.699 24.548 -10.380 1.00 0.91 H new ATOM 0 HD13 LEU A 114 2.999 24.534 -11.595 1.00 0.91 H new ATOM 0 HD21 LEU A 114 3.713 21.564 -11.333 1.00 0.81 H new ATOM 0 HD22 LEU A 114 4.886 22.902 -11.391 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.920 21.747 -10.038 1.00 0.81 H new ATOM 395 N ASP A 115 6.055 25.219 -6.909 1.00 0.61 N ATOM 396 CA ASP A 115 7.391 25.763 -6.504 1.00 0.71 C ATOM 397 C ASP A 115 7.954 24.977 -5.312 1.00 0.65 C ATOM 398 O ASP A 115 9.135 24.686 -5.262 1.00 0.89 O ATOM 399 CB ASP A 115 7.137 27.221 -6.118 1.00 0.80 C ATOM 400 CG ASP A 115 8.471 27.965 -6.059 1.00 1.17 C ATOM 401 OD1 ASP A 115 8.985 28.303 -7.113 1.00 1.76 O ATOM 402 OD2 ASP A 115 8.965 28.170 -4.964 1.00 1.76 O ATOM 0 H ASP A 115 5.265 25.844 -6.750 1.00 0.61 H new ATOM 0 HA ASP A 115 8.123 25.680 -7.308 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.476 27.692 -6.845 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.636 27.272 -5.152 1.00 0.80 H new ATOM 407 N GLU A 116 7.121 24.622 -4.361 1.00 0.51 N ATOM 408 CA GLU A 116 7.619 23.842 -3.180 1.00 0.48 C ATOM 409 C GLU A 116 8.154 22.476 -3.649 1.00 0.49 C ATOM 410 O GLU A 116 9.099 21.952 -3.090 1.00 0.63 O ATOM 411 CB GLU A 116 6.415 23.665 -2.243 1.00 0.48 C ATOM 412 CG GLU A 116 5.777 25.022 -1.929 1.00 0.57 C ATOM 413 CD GLU A 116 4.703 24.838 -0.856 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.038 24.375 0.221 1.00 1.36 O ATOM 415 OE2 GLU A 116 3.562 25.165 -1.128 1.00 1.19 O ATOM 0 H GLU A 116 6.124 24.837 -4.350 1.00 0.51 H new ATOM 0 HA GLU A 116 8.434 24.354 -2.669 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.679 23.009 -2.707 1.00 0.48 H new ATOM 0 HB3 GLU A 116 6.734 23.183 -1.319 1.00 0.48 H new ATOM 0 HG2 GLU A 116 6.537 25.723 -1.583 1.00 0.57 H new ATOM 0 HG3 GLU A 116 5.337 25.448 -2.831 1.00 0.57 H new ATOM 422 N LEU A 117 7.571 21.908 -4.689 1.00 0.48 N ATOM 423 CA LEU A 117 8.066 20.590 -5.211 1.00 0.52 C ATOM 424 C LEU A 117 9.508 20.746 -5.712 1.00 0.58 C ATOM 425 O LEU A 117 10.368 19.933 -5.434 1.00 0.69 O ATOM 426 CB LEU A 117 7.154 20.235 -6.396 1.00 0.55 C ATOM 427 CG LEU A 117 5.733 19.931 -5.914 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.766 20.041 -7.096 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.676 18.512 -5.344 1.00 0.53 C ATOM 0 H LEU A 117 6.777 22.301 -5.194 1.00 0.48 H new ATOM 0 HA LEU A 117 8.049 19.820 -4.440 1.00 0.52 H new ATOM 0 HB2 LEU A 117 7.133 21.062 -7.106 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.556 19.371 -6.925 1.00 0.55 H new ATOM 0 HG LEU A 117 5.452 20.644 -5.139 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.752 19.825 -6.758 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.805 21.050 -7.505 1.00 0.58 H new ATOM 0 HD13 LEU A 117 5.051 19.326 -7.867 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.664 18.298 -5.002 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.956 17.797 -6.118 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.368 18.429 -4.506 1.00 0.53 H new ATOM 441 N LYS A 118 9.763 21.796 -6.456 1.00 0.59 N ATOM 442 CA LYS A 118 11.134 22.049 -7.004 1.00 0.69 C ATOM 443 C LYS A 118 12.195 22.017 -5.890 1.00 0.64 C ATOM 444 O LYS A 118 13.310 21.583 -6.103 1.00 0.73 O ATOM 445 CB LYS A 118 11.031 23.447 -7.633 1.00 0.83 C ATOM 446 CG LYS A 118 12.427 24.036 -7.868 1.00 0.99 C ATOM 447 CD LYS A 118 12.305 25.528 -8.198 1.00 1.35 C ATOM 448 CE LYS A 118 12.654 26.371 -6.962 1.00 1.51 C ATOM 449 NZ LYS A 118 11.342 26.790 -6.390 1.00 1.99 N1+ ATOM 0 H LYS A 118 9.069 22.499 -6.710 1.00 0.59 H new ATOM 0 HA LYS A 118 11.443 21.289 -7.722 1.00 0.69 H new ATOM 0 HB2 LYS A 118 10.491 23.388 -8.578 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.458 24.105 -6.979 1.00 0.83 H new ATOM 0 HG2 LYS A 118 13.045 23.899 -6.981 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.922 23.511 -8.685 1.00 0.99 H new ATOM 0 HD2 LYS A 118 12.972 25.782 -9.022 1.00 1.35 H new ATOM 0 HD3 LYS A 118 11.291 25.754 -8.528 1.00 1.35 H new ATOM 0 HE2 LYS A 118 13.231 25.792 -6.241 1.00 1.51 H new ATOM 0 HE3 LYS A 118 13.259 27.236 -7.234 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 11.502 27.452 -5.604 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 10.776 27.257 -7.126 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 10.833 25.953 -6.040 1.00 1.99 H new ATOM 463 N ILE A 119 11.860 22.480 -4.712 1.00 0.68 N ATOM 464 CA ILE A 119 12.854 22.485 -3.591 1.00 0.74 C ATOM 465 C ILE A 119 12.891 21.120 -2.872 1.00 0.75 C ATOM 466 O ILE A 119 13.874 20.774 -2.247 1.00 0.85 O ATOM 467 CB ILE A 119 12.367 23.587 -2.639 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.390 24.942 -3.358 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.279 23.658 -1.413 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.109 25.718 -3.029 1.00 1.06 C ATOM 0 H ILE A 119 10.941 22.855 -4.476 1.00 0.68 H new ATOM 0 HA ILE A 119 13.868 22.665 -3.949 1.00 0.74 H new ATOM 0 HB ILE A 119 11.350 23.355 -2.324 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.264 25.515 -3.049 1.00 1.22 H new ATOM 0 HG13 ILE A 119 12.471 24.793 -4.435 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.927 24.442 -0.743 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.263 22.701 -0.892 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.298 23.882 -1.730 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.125 26.681 -3.540 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.242 25.146 -3.360 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.048 25.879 -1.953 1.00 1.06 H new ATOM 482 N MET A 120 11.830 20.349 -2.943 1.00 0.85 N ATOM 483 CA MET A 120 11.815 19.021 -2.243 1.00 1.01 C ATOM 484 C MET A 120 12.677 17.979 -2.979 1.00 0.95 C ATOM 485 O MET A 120 13.273 17.116 -2.361 1.00 1.11 O ATOM 486 CB MET A 120 10.335 18.601 -2.212 1.00 1.17 C ATOM 487 CG MET A 120 10.011 17.662 -3.381 1.00 1.52 C ATOM 488 SD MET A 120 8.246 17.275 -3.368 1.00 1.88 S ATOM 489 CE MET A 120 8.256 16.284 -1.857 1.00 1.43 C ATOM 0 H MET A 120 10.977 20.580 -3.453 1.00 0.85 H new ATOM 0 HA MET A 120 12.240 19.092 -1.242 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.113 18.104 -1.268 1.00 1.17 H new ATOM 0 HB3 MET A 120 9.700 19.485 -2.263 1.00 1.17 H new ATOM 0 HG2 MET A 120 10.285 18.132 -4.326 1.00 1.52 H new ATOM 0 HG3 MET A 120 10.596 16.746 -3.299 1.00 1.52 H new ATOM 0 HE1 MET A 120 7.686 15.369 -2.018 1.00 1.43 H new ATOM 0 HE2 MET A 120 9.283 16.030 -1.595 1.00 1.43 H new ATOM 0 HE3 MET A 120 7.805 16.854 -1.045 1.00 1.43 H new ATOM 499 N LEU A 121 12.740 18.043 -4.287 1.00 0.87 N ATOM 500 CA LEU A 121 13.556 17.045 -5.049 1.00 0.95 C ATOM 501 C LEU A 121 15.017 17.509 -5.182 1.00 0.87 C ATOM 502 O LEU A 121 15.871 16.754 -5.603 1.00 0.97 O ATOM 503 CB LEU A 121 12.879 16.943 -6.422 1.00 1.09 C ATOM 504 CG LEU A 121 12.539 15.479 -6.720 1.00 1.41 C ATOM 505 CD1 LEU A 121 11.453 14.992 -5.754 1.00 2.03 C ATOM 506 CD2 LEU A 121 12.026 15.354 -8.156 1.00 1.80 C ATOM 0 H LEU A 121 12.264 18.741 -4.859 1.00 0.87 H new ATOM 0 HA LEU A 121 13.595 16.080 -4.543 1.00 0.95 H new ATOM 0 HB2 LEU A 121 11.972 17.548 -6.437 1.00 1.09 H new ATOM 0 HB3 LEU A 121 13.539 17.338 -7.194 1.00 1.09 H new ATOM 0 HG LEU A 121 13.436 14.872 -6.596 1.00 1.41 H new ATOM 0 HD11 LEU A 121 11.215 13.951 -5.970 1.00 2.03 H new ATOM 0 HD12 LEU A 121 11.813 15.077 -4.729 1.00 2.03 H new ATOM 0 HD13 LEU A 121 10.558 15.602 -5.876 1.00 2.03 H new ATOM 0 HD21 LEU A 121 11.785 14.312 -8.367 1.00 1.80 H new ATOM 0 HD22 LEU A 121 11.132 15.965 -8.277 1.00 1.80 H new ATOM 0 HD23 LEU A 121 12.796 15.695 -8.848 1.00 1.80 H new ATOM 518 N GLN A 122 15.313 18.736 -4.818 1.00 0.82 N ATOM 519 CA GLN A 122 16.722 19.239 -4.914 1.00 0.95 C ATOM 520 C GLN A 122 17.658 18.407 -4.024 1.00 1.04 C ATOM 521 O GLN A 122 18.800 18.169 -4.368 1.00 1.19 O ATOM 522 CB GLN A 122 16.657 20.685 -4.416 1.00 1.14 C ATOM 523 CG GLN A 122 16.218 21.599 -5.562 1.00 1.42 C ATOM 524 CD GLN A 122 17.445 22.270 -6.178 1.00 1.85 C ATOM 525 OE1 GLN A 122 17.889 23.298 -5.709 1.00 2.44 O ATOM 526 NE2 GLN A 122 18.017 21.727 -7.215 1.00 2.28 N ATOM 0 H GLN A 122 14.638 19.411 -4.458 1.00 0.82 H new ATOM 0 HA GLN A 122 17.113 19.168 -5.929 1.00 0.95 H new ATOM 0 HB2 GLN A 122 15.956 20.764 -3.585 1.00 1.14 H new ATOM 0 HB3 GLN A 122 17.632 20.996 -4.041 1.00 1.14 H new ATOM 0 HG2 GLN A 122 15.688 21.021 -6.319 1.00 1.42 H new ATOM 0 HG3 GLN A 122 15.524 22.354 -5.193 1.00 1.42 H new ATOM 0 HE21 GLN A 122 17.644 20.863 -7.609 1.00 2.28 H new ATOM 0 HE22 GLN A 122 18.838 22.166 -7.633 1.00 2.28 H new ATOM 535 N ALA A 123 17.181 17.965 -2.884 1.00 1.09 N ATOM 536 CA ALA A 123 18.041 17.148 -1.971 1.00 1.33 C ATOM 537 C ALA A 123 18.414 15.809 -2.629 1.00 1.38 C ATOM 538 O ALA A 123 19.542 15.365 -2.540 1.00 1.62 O ATOM 539 CB ALA A 123 17.188 16.914 -0.722 1.00 1.45 C ATOM 0 H ALA A 123 16.233 18.135 -2.547 1.00 1.09 H new ATOM 0 HA ALA A 123 18.979 17.652 -1.737 1.00 1.33 H new ATOM 0 HB1 ALA A 123 17.752 16.320 -0.003 1.00 1.45 H new ATOM 0 HB2 ALA A 123 16.927 17.873 -0.275 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.277 16.382 -0.998 1.00 1.45 H new ATOM 545 N THR A 124 17.477 15.166 -3.285 1.00 1.29 N ATOM 546 CA THR A 124 17.784 13.854 -3.945 1.00 1.47 C ATOM 547 C THR A 124 18.280 14.055 -5.391 1.00 1.44 C ATOM 548 O THR A 124 18.756 13.126 -6.017 1.00 1.72 O ATOM 549 CB THR A 124 16.461 13.073 -3.929 1.00 1.56 C ATOM 550 OG1 THR A 124 16.711 11.707 -4.238 1.00 2.16 O ATOM 551 CG2 THR A 124 15.490 13.659 -4.959 1.00 1.92 C ATOM 0 H THR A 124 16.516 15.490 -3.392 1.00 1.29 H new ATOM 0 HA THR A 124 18.580 13.323 -3.423 1.00 1.47 H new ATOM 0 HB THR A 124 16.017 13.149 -2.937 1.00 1.56 H new ATOM 0 HG1 THR A 124 15.867 11.209 -4.226 1.00 2.16 H new ATOM 0 HG21 THR A 124 14.556 13.098 -4.939 1.00 1.92 H new ATOM 0 HG22 THR A 124 15.291 14.703 -4.718 1.00 1.92 H new ATOM 0 HG23 THR A 124 15.931 13.593 -5.954 1.00 1.92 H new ATOM 559 N GLY A 125 18.170 15.249 -5.930 1.00 1.26 N ATOM 560 CA GLY A 125 18.634 15.486 -7.331 1.00 1.32 C ATOM 561 C GLY A 125 18.006 16.769 -7.882 1.00 1.26 C ATOM 562 O GLY A 125 18.420 17.862 -7.548 1.00 1.63 O ATOM 0 H GLY A 125 17.780 16.065 -5.459 1.00 1.26 H new ATOM 0 HA2 GLY A 125 19.721 15.565 -7.354 1.00 1.32 H new ATOM 0 HA3 GLY A 125 18.362 14.639 -7.961 1.00 1.32 H new ATOM 566 N GLU A 126 17.009 16.636 -8.728 1.00 1.02 N ATOM 567 CA GLU A 126 16.332 17.834 -9.325 1.00 1.08 C ATOM 568 C GLU A 126 17.351 18.741 -10.036 1.00 0.89 C ATOM 569 O GLU A 126 17.591 19.865 -9.632 1.00 0.87 O ATOM 570 CB GLU A 126 15.670 18.555 -8.142 1.00 1.34 C ATOM 571 CG GLU A 126 14.682 19.618 -8.648 1.00 1.45 C ATOM 572 CD GLU A 126 13.786 19.037 -9.748 1.00 1.61 C ATOM 573 OE1 GLU A 126 13.183 18.002 -9.517 1.00 2.16 O ATOM 574 OE2 GLU A 126 13.715 19.643 -10.801 1.00 2.09 O ATOM 0 H GLU A 126 16.632 15.739 -9.033 1.00 1.02 H new ATOM 0 HA GLU A 126 15.600 17.555 -10.083 1.00 1.08 H new ATOM 0 HB2 GLU A 126 15.148 17.833 -7.514 1.00 1.34 H new ATOM 0 HB3 GLU A 126 16.433 19.025 -7.521 1.00 1.34 H new ATOM 0 HG2 GLU A 126 14.068 19.975 -7.821 1.00 1.45 H new ATOM 0 HG3 GLU A 126 15.230 20.478 -9.033 1.00 1.45 H new ATOM 581 N THR A 127 17.948 18.258 -11.097 1.00 1.09 N ATOM 582 CA THR A 127 18.948 19.084 -11.846 1.00 1.21 C ATOM 583 C THR A 127 18.381 19.492 -13.216 1.00 1.29 C ATOM 584 O THR A 127 19.060 19.428 -14.225 1.00 1.60 O ATOM 585 CB THR A 127 20.177 18.177 -12.012 1.00 1.57 C ATOM 586 OG1 THR A 127 19.796 16.973 -12.665 1.00 1.91 O ATOM 587 CG2 THR A 127 20.770 17.846 -10.641 1.00 2.18 C ATOM 0 H THR A 127 17.787 17.326 -11.478 1.00 1.09 H new ATOM 0 HA THR A 127 19.197 20.006 -11.321 1.00 1.21 H new ATOM 0 HB THR A 127 20.925 18.697 -12.611 1.00 1.57 H new ATOM 0 HG1 THR A 127 20.581 16.396 -12.772 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.641 17.203 -10.767 1.00 2.18 H new ATOM 0 HG22 THR A 127 21.069 18.768 -10.142 1.00 2.18 H new ATOM 0 HG23 THR A 127 20.023 17.331 -10.036 1.00 2.18 H new ATOM 595 N ILE A 128 17.142 19.916 -13.253 1.00 1.08 N ATOM 596 CA ILE A 128 16.516 20.337 -14.547 1.00 1.20 C ATOM 597 C ILE A 128 15.841 21.711 -14.381 1.00 1.18 C ATOM 598 O ILE A 128 16.159 22.455 -13.471 1.00 1.15 O ATOM 599 CB ILE A 128 15.490 19.239 -14.897 1.00 1.12 C ATOM 600 CG1 ILE A 128 14.664 18.851 -13.650 1.00 1.32 C ATOM 601 CG2 ILE A 128 16.225 18.015 -15.453 1.00 1.62 C ATOM 602 CD1 ILE A 128 15.309 17.672 -12.906 1.00 2.03 C ATOM 0 H ILE A 128 16.533 19.989 -12.438 1.00 1.08 H new ATOM 0 HA ILE A 128 17.250 20.445 -15.345 1.00 1.20 H new ATOM 0 HB ILE A 128 14.803 19.620 -15.653 1.00 1.12 H new ATOM 0 HG12 ILE A 128 14.585 19.708 -12.981 1.00 1.32 H new ATOM 0 HG13 ILE A 128 13.650 18.586 -13.949 1.00 1.32 H new ATOM 0 HG21 ILE A 128 15.502 17.238 -15.701 1.00 1.62 H new ATOM 0 HG22 ILE A 128 16.776 18.298 -16.350 1.00 1.62 H new ATOM 0 HG23 ILE A 128 16.921 17.637 -14.704 1.00 1.62 H new ATOM 0 HD11 ILE A 128 14.707 17.420 -12.033 1.00 2.03 H new ATOM 0 HD12 ILE A 128 15.364 16.809 -13.570 1.00 2.03 H new ATOM 0 HD13 ILE A 128 16.314 17.949 -12.587 1.00 2.03 H new ATOM 614 N THR A 129 14.926 22.063 -15.254 1.00 1.34 N ATOM 615 CA THR A 129 14.251 23.399 -15.138 1.00 1.42 C ATOM 616 C THR A 129 12.825 23.257 -14.580 1.00 1.16 C ATOM 617 O THR A 129 12.356 22.166 -14.312 1.00 0.97 O ATOM 618 CB THR A 129 14.232 23.968 -16.566 1.00 1.64 C ATOM 619 OG1 THR A 129 13.666 25.271 -16.549 1.00 2.23 O ATOM 620 CG2 THR A 129 13.401 23.072 -17.489 1.00 2.28 C ATOM 0 H THR A 129 14.618 21.488 -16.038 1.00 1.34 H new ATOM 0 HA THR A 129 14.778 24.057 -14.447 1.00 1.42 H new ATOM 0 HB THR A 129 15.255 24.010 -16.939 1.00 1.64 H new ATOM 0 HG1 THR A 129 13.655 25.635 -17.459 1.00 2.23 H new ATOM 0 HG21 THR A 129 13.398 23.490 -18.496 1.00 2.28 H new ATOM 0 HG22 THR A 129 13.834 22.072 -17.512 1.00 2.28 H new ATOM 0 HG23 THR A 129 12.378 23.016 -17.117 1.00 2.28 H new ATOM 628 N GLU A 130 12.138 24.362 -14.402 1.00 1.31 N ATOM 629 CA GLU A 130 10.742 24.315 -13.857 1.00 1.28 C ATOM 630 C GLU A 130 9.813 23.494 -14.771 1.00 1.16 C ATOM 631 O GLU A 130 8.837 22.929 -14.315 1.00 1.21 O ATOM 632 CB GLU A 130 10.279 25.778 -13.780 1.00 1.69 C ATOM 633 CG GLU A 130 10.268 26.407 -15.181 1.00 2.05 C ATOM 634 CD GLU A 130 10.958 27.771 -15.137 1.00 2.43 C ATOM 635 OE1 GLU A 130 12.176 27.799 -15.205 1.00 2.70 O ATOM 636 OE2 GLU A 130 10.256 28.763 -15.032 1.00 3.03 O ATOM 0 H GLU A 130 12.486 25.298 -14.612 1.00 1.31 H new ATOM 0 HA GLU A 130 10.713 23.830 -12.881 1.00 1.28 H new ATOM 0 HB2 GLU A 130 9.282 25.829 -13.343 1.00 1.69 H new ATOM 0 HB3 GLU A 130 10.943 26.343 -13.125 1.00 1.69 H new ATOM 0 HG2 GLU A 130 10.778 25.753 -15.888 1.00 2.05 H new ATOM 0 HG3 GLU A 130 9.242 26.518 -15.533 1.00 2.05 H new ATOM 643 N ASP A 131 10.108 23.419 -16.049 1.00 1.18 N ATOM 644 CA ASP A 131 9.239 22.629 -16.981 1.00 1.19 C ATOM 645 C ASP A 131 9.215 21.147 -16.566 1.00 1.07 C ATOM 646 O ASP A 131 8.177 20.512 -16.570 1.00 1.14 O ATOM 647 CB ASP A 131 9.881 22.796 -18.364 1.00 1.44 C ATOM 648 CG ASP A 131 8.803 22.698 -19.445 1.00 1.48 C ATOM 649 OD1 ASP A 131 8.190 23.711 -19.735 1.00 2.07 O ATOM 650 OD2 ASP A 131 8.609 21.611 -19.963 1.00 1.91 O ATOM 0 H ASP A 131 10.912 23.870 -16.486 1.00 1.18 H new ATOM 0 HA ASP A 131 8.205 22.973 -16.970 1.00 1.19 H new ATOM 0 HB2 ASP A 131 10.387 23.759 -18.427 1.00 1.44 H new ATOM 0 HB3 ASP A 131 10.638 22.027 -18.520 1.00 1.44 H new ATOM 655 N ASP A 132 10.351 20.600 -16.202 1.00 1.00 N ATOM 656 CA ASP A 132 10.411 19.162 -15.777 1.00 1.03 C ATOM 657 C ASP A 132 9.592 18.935 -14.493 1.00 0.88 C ATOM 658 O ASP A 132 9.114 17.845 -14.239 1.00 1.03 O ATOM 659 CB ASP A 132 11.897 18.887 -15.519 1.00 1.13 C ATOM 660 CG ASP A 132 12.682 18.988 -16.829 1.00 1.39 C ATOM 661 OD1 ASP A 132 13.105 20.084 -17.159 1.00 1.99 O ATOM 662 OD2 ASP A 132 12.853 17.970 -17.475 1.00 1.79 O ATOM 0 H ASP A 132 11.245 21.090 -16.181 1.00 1.00 H new ATOM 0 HA ASP A 132 9.993 18.498 -16.533 1.00 1.03 H new ATOM 0 HB2 ASP A 132 12.288 19.602 -14.795 1.00 1.13 H new ATOM 0 HB3 ASP A 132 12.022 17.895 -15.086 1.00 1.13 H new ATOM 667 N ILE A 133 9.425 19.958 -13.686 1.00 0.75 N ATOM 668 CA ILE A 133 8.630 19.809 -12.421 1.00 0.77 C ATOM 669 C ILE A 133 7.200 19.351 -12.746 1.00 0.70 C ATOM 670 O ILE A 133 6.574 18.647 -11.975 1.00 0.82 O ATOM 671 CB ILE A 133 8.607 21.207 -11.777 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.041 21.713 -11.552 1.00 0.96 C ATOM 673 CG2 ILE A 133 7.885 21.142 -10.427 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.839 20.671 -10.767 1.00 1.00 C ATOM 0 H ILE A 133 9.805 20.891 -13.848 1.00 0.75 H new ATOM 0 HA ILE A 133 9.067 19.065 -11.754 1.00 0.77 H new ATOM 0 HB ILE A 133 8.083 21.890 -12.446 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.523 21.908 -12.510 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.022 22.657 -11.007 1.00 0.96 H new ATOM 0 HG21 ILE A 133 7.871 22.133 -9.974 1.00 1.06 H new ATOM 0 HG22 ILE A 133 6.862 20.797 -10.578 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.408 20.449 -9.768 1.00 1.06 H new ATOM 0 HD11 ILE A 133 11.855 21.033 -10.610 1.00 1.00 H new ATOM 0 HD12 ILE A 133 10.362 20.498 -9.802 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.870 19.737 -11.329 1.00 1.00 H new ATOM 686 N GLU A 134 6.681 19.753 -13.882 1.00 0.61 N ATOM 687 CA GLU A 134 5.292 19.355 -14.267 1.00 0.64 C ATOM 688 C GLU A 134 5.176 17.838 -14.485 1.00 0.64 C ATOM 689 O GLU A 134 4.106 17.274 -14.343 1.00 0.76 O ATOM 690 CB GLU A 134 5.009 20.113 -15.565 1.00 0.73 C ATOM 691 CG GLU A 134 4.279 21.417 -15.233 1.00 0.89 C ATOM 692 CD GLU A 134 2.856 21.101 -14.760 1.00 1.21 C ATOM 693 OE1 GLU A 134 2.086 20.588 -15.558 1.00 1.86 O ATOM 694 OE2 GLU A 134 2.563 21.369 -13.607 1.00 1.87 O ATOM 0 H GLU A 134 7.163 20.342 -14.561 1.00 0.61 H new ATOM 0 HA GLU A 134 4.576 19.596 -13.482 1.00 0.64 H new ATOM 0 HB2 GLU A 134 5.942 20.326 -16.087 1.00 0.73 H new ATOM 0 HB3 GLU A 134 4.402 19.502 -16.233 1.00 0.73 H new ATOM 0 HG2 GLU A 134 4.819 21.961 -14.458 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.247 22.062 -16.111 1.00 0.89 H new ATOM 701 N GLU A 135 6.254 17.166 -14.821 1.00 0.59 N ATOM 702 CA GLU A 135 6.176 15.683 -15.031 1.00 0.67 C ATOM 703 C GLU A 135 5.735 15.007 -13.728 1.00 0.74 C ATOM 704 O GLU A 135 4.798 14.230 -13.711 1.00 0.91 O ATOM 705 CB GLU A 135 7.592 15.245 -15.423 1.00 0.72 C ATOM 706 CG GLU A 135 7.695 15.114 -16.950 1.00 1.16 C ATOM 707 CD GLU A 135 7.090 16.347 -17.628 1.00 1.56 C ATOM 708 OE1 GLU A 135 7.723 17.388 -17.599 1.00 2.29 O ATOM 709 OE2 GLU A 135 5.999 16.229 -18.163 1.00 2.03 O ATOM 0 H GLU A 135 7.178 17.577 -14.958 1.00 0.59 H new ATOM 0 HA GLU A 135 5.455 15.408 -15.801 1.00 0.67 H new ATOM 0 HB2 GLU A 135 8.320 15.972 -15.062 1.00 0.72 H new ATOM 0 HB3 GLU A 135 7.831 14.292 -14.951 1.00 0.72 H new ATOM 0 HG2 GLU A 135 8.739 15.004 -17.243 1.00 1.16 H new ATOM 0 HG3 GLU A 135 7.174 14.215 -17.281 1.00 1.16 H new ATOM 716 N LEU A 136 6.383 15.322 -12.631 1.00 0.73 N ATOM 717 CA LEU A 136 5.978 14.721 -11.322 1.00 0.87 C ATOM 718 C LEU A 136 4.659 15.356 -10.856 1.00 0.81 C ATOM 719 O LEU A 136 3.851 14.719 -10.206 1.00 1.00 O ATOM 720 CB LEU A 136 7.110 15.058 -10.332 1.00 0.99 C ATOM 721 CG LEU A 136 8.331 14.127 -10.510 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.642 13.432 -9.178 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.063 13.059 -11.575 1.00 1.75 C ATOM 0 H LEU A 136 7.172 15.967 -12.586 1.00 0.73 H new ATOM 0 HA LEU A 136 5.825 13.644 -11.396 1.00 0.87 H new ATOM 0 HB2 LEU A 136 7.420 16.093 -10.474 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.736 14.974 -9.312 1.00 0.99 H new ATOM 0 HG LEU A 136 9.177 14.735 -10.830 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.503 12.775 -9.303 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.865 14.182 -8.419 1.00 1.74 H new ATOM 0 HD13 LEU A 136 7.779 12.844 -8.864 1.00 1.74 H new ATOM 0 HD21 LEU A 136 8.940 12.420 -11.678 1.00 1.75 H new ATOM 0 HD22 LEU A 136 7.206 12.455 -11.277 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.852 13.542 -12.529 1.00 1.75 H new ATOM 735 N MET A 137 4.438 16.612 -11.182 1.00 0.67 N ATOM 736 CA MET A 137 3.174 17.296 -10.757 1.00 0.71 C ATOM 737 C MET A 137 1.943 16.691 -11.453 1.00 0.68 C ATOM 738 O MET A 137 0.852 16.756 -10.930 1.00 0.70 O ATOM 739 CB MET A 137 3.348 18.766 -11.154 1.00 0.82 C ATOM 740 CG MET A 137 2.261 19.613 -10.480 1.00 0.99 C ATOM 741 SD MET A 137 2.162 19.178 -8.723 1.00 0.94 S ATOM 742 CE MET A 137 1.019 20.484 -8.208 1.00 0.53 C ATOM 0 H MET A 137 5.080 17.191 -11.724 1.00 0.67 H new ATOM 0 HA MET A 137 3.006 17.178 -9.687 1.00 0.71 H new ATOM 0 HB2 MET A 137 4.335 19.119 -10.856 1.00 0.82 H new ATOM 0 HB3 MET A 137 3.285 18.871 -12.237 1.00 0.82 H new ATOM 0 HG2 MET A 137 2.489 20.673 -10.591 1.00 0.99 H new ATOM 0 HG3 MET A 137 1.299 19.442 -10.963 1.00 0.99 H new ATOM 0 HE1 MET A 137 1.519 21.148 -7.504 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.701 21.054 -9.081 1.00 0.53 H new ATOM 0 HE3 MET A 137 0.148 20.037 -7.729 1.00 0.53 H new ATOM 752 N LYS A 138 2.098 16.102 -12.616 1.00 0.76 N ATOM 753 CA LYS A 138 0.908 15.500 -13.303 1.00 0.82 C ATOM 754 C LYS A 138 0.350 14.346 -12.466 1.00 0.72 C ATOM 755 O LYS A 138 -0.828 14.299 -12.167 1.00 0.84 O ATOM 756 CB LYS A 138 1.408 14.974 -14.649 1.00 0.99 C ATOM 757 CG LYS A 138 1.396 16.102 -15.686 1.00 1.57 C ATOM 758 CD LYS A 138 2.100 15.632 -16.965 1.00 2.09 C ATOM 759 CE LYS A 138 2.370 16.831 -17.884 1.00 2.74 C ATOM 760 NZ LYS A 138 3.614 17.460 -17.353 1.00 3.43 N1+ ATOM 0 H LYS A 138 2.984 16.012 -13.114 1.00 0.76 H new ATOM 0 HA LYS A 138 0.112 16.233 -13.434 1.00 0.82 H new ATOM 0 HB2 LYS A 138 2.418 14.577 -14.542 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.776 14.152 -14.986 1.00 0.99 H new ATOM 0 HG2 LYS A 138 0.370 16.393 -15.910 1.00 1.57 H new ATOM 0 HG3 LYS A 138 1.897 16.983 -15.286 1.00 1.57 H new ATOM 0 HD2 LYS A 138 3.038 15.137 -16.713 1.00 2.09 H new ATOM 0 HD3 LYS A 138 1.482 14.898 -17.482 1.00 2.09 H new ATOM 0 HE2 LYS A 138 2.501 16.513 -18.918 1.00 2.74 H new ATOM 0 HE3 LYS A 138 1.537 17.533 -17.870 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 3.757 18.384 -17.808 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 3.526 17.590 -16.325 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 4.428 16.845 -17.555 1.00 3.43 H new ATOM 774 N ASP A 139 1.189 13.418 -12.077 1.00 0.75 N ATOM 775 CA ASP A 139 0.703 12.276 -11.246 1.00 0.78 C ATOM 776 C ASP A 139 0.389 12.769 -9.826 1.00 0.70 C ATOM 777 O ASP A 139 -0.541 12.304 -9.193 1.00 0.81 O ATOM 778 CB ASP A 139 1.846 11.258 -11.237 1.00 0.97 C ATOM 779 CG ASP A 139 1.315 9.889 -10.804 1.00 1.16 C ATOM 780 OD1 ASP A 139 0.446 9.368 -11.483 1.00 1.69 O ATOM 781 OD2 ASP A 139 1.783 9.387 -9.796 1.00 1.66 O ATOM 0 H ASP A 139 2.185 13.402 -12.298 1.00 0.75 H new ATOM 0 HA ASP A 139 -0.211 11.833 -11.640 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.292 11.189 -12.229 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.632 11.586 -10.557 1.00 0.97 H new ATOM 786 N GLY A 140 1.149 13.721 -9.330 1.00 0.64 N ATOM 787 CA GLY A 140 0.883 14.262 -7.964 1.00 0.62 C ATOM 788 C GLY A 140 -0.434 15.039 -7.998 1.00 0.57 C ATOM 789 O GLY A 140 -1.317 14.817 -7.198 1.00 0.65 O ATOM 0 H GLY A 140 1.940 14.143 -9.815 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.825 13.450 -7.240 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.699 14.913 -7.649 1.00 0.62 H new ATOM 793 N ASP A 141 -0.569 15.934 -8.940 1.00 0.56 N ATOM 794 CA ASP A 141 -1.824 16.727 -9.068 1.00 0.56 C ATOM 795 C ASP A 141 -2.425 16.519 -10.466 1.00 0.58 C ATOM 796 O ASP A 141 -2.200 17.307 -11.367 1.00 0.64 O ATOM 797 CB ASP A 141 -1.384 18.186 -8.882 1.00 0.60 C ATOM 798 CG ASP A 141 -2.594 19.091 -8.608 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.711 18.682 -8.886 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.379 20.188 -8.126 1.00 1.23 O ATOM 0 H ASP A 141 0.146 16.151 -9.634 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.584 16.436 -8.343 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.678 18.255 -8.054 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -0.862 18.530 -9.775 1.00 0.60 H new ATOM 805 N LYS A 142 -3.190 15.471 -10.658 1.00 0.62 N ATOM 806 CA LYS A 142 -3.803 15.237 -12.008 1.00 0.70 C ATOM 807 C LYS A 142 -4.732 16.407 -12.368 1.00 0.79 C ATOM 808 O LYS A 142 -4.908 16.732 -13.527 1.00 0.92 O ATOM 809 CB LYS A 142 -4.576 13.919 -11.898 1.00 0.79 C ATOM 810 CG LYS A 142 -3.642 12.754 -12.253 1.00 0.88 C ATOM 811 CD LYS A 142 -3.340 11.936 -10.993 1.00 1.37 C ATOM 812 CE LYS A 142 -2.519 10.697 -11.370 1.00 1.79 C ATOM 813 NZ LYS A 142 -2.014 10.148 -10.078 1.00 2.44 N1+ ATOM 0 H LYS A 142 -3.416 14.774 -9.949 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.053 15.176 -12.797 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.964 13.795 -10.887 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.434 13.930 -12.570 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -4.106 12.120 -13.008 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -2.715 13.135 -12.682 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -2.790 12.545 -10.275 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -4.270 11.636 -10.510 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -3.132 9.965 -11.895 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -1.695 10.959 -12.034 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -1.262 9.454 -10.266 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -1.633 10.922 -9.497 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -2.794 9.685 -9.569 1.00 2.44 H new ATOM 827 N ASN A 143 -5.295 17.066 -11.379 1.00 0.80 N ATOM 828 CA ASN A 143 -6.176 18.247 -11.657 1.00 0.95 C ATOM 829 C ASN A 143 -5.315 19.425 -12.143 1.00 0.92 C ATOM 830 O ASN A 143 -5.794 20.318 -12.814 1.00 1.08 O ATOM 831 CB ASN A 143 -6.832 18.602 -10.316 1.00 1.07 C ATOM 832 CG ASN A 143 -7.476 17.364 -9.690 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.331 16.741 -10.286 1.00 1.95 O ATOM 834 ND2 ASN A 143 -7.100 16.979 -8.501 1.00 1.70 N ATOM 0 H ASN A 143 -5.182 16.836 -10.392 1.00 0.80 H new ATOM 0 HA ASN A 143 -6.919 18.031 -12.424 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -6.085 19.013 -9.637 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -7.586 19.375 -10.467 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -7.524 16.156 -8.074 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -6.382 17.501 -7.999 1.00 1.70 H new ATOM 841 N ASN A 144 -4.043 19.419 -11.797 1.00 0.86 N ATOM 842 CA ASN A 144 -3.104 20.511 -12.211 1.00 0.93 C ATOM 843 C ASN A 144 -3.575 21.882 -11.705 1.00 1.03 C ATOM 844 O ASN A 144 -3.405 22.889 -12.369 1.00 1.71 O ATOM 845 CB ASN A 144 -3.061 20.462 -13.742 1.00 1.08 C ATOM 846 CG ASN A 144 -2.242 19.247 -14.188 1.00 1.49 C ATOM 847 OD1 ASN A 144 -2.766 18.341 -14.801 1.00 2.18 O ATOM 848 ND2 ASN A 144 -0.970 19.186 -13.903 1.00 1.97 N ATOM 0 H ASN A 144 -3.612 18.686 -11.234 1.00 0.86 H new ATOM 0 HA ASN A 144 -2.113 20.366 -11.781 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -4.072 20.400 -14.144 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -2.618 21.377 -14.134 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -0.420 18.378 -14.196 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -0.526 19.946 -13.388 1.00 1.97 H new ATOM 855 N ASP A 145 -4.132 21.937 -10.519 1.00 0.88 N ATOM 856 CA ASP A 145 -4.572 23.257 -9.962 1.00 0.92 C ATOM 857 C ASP A 145 -3.382 23.962 -9.280 1.00 0.91 C ATOM 858 O ASP A 145 -3.474 25.114 -8.894 1.00 1.07 O ATOM 859 CB ASP A 145 -5.705 22.964 -8.956 1.00 0.93 C ATOM 860 CG ASP A 145 -5.343 21.794 -8.036 1.00 1.40 C ATOM 861 OD1 ASP A 145 -4.561 21.995 -7.125 1.00 2.06 O ATOM 862 OD2 ASP A 145 -5.867 20.717 -8.254 1.00 1.89 O ATOM 0 H ASP A 145 -4.300 21.132 -9.916 1.00 0.88 H new ATOM 0 HA ASP A 145 -4.931 23.923 -10.746 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -5.901 23.853 -8.357 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -6.623 22.734 -9.496 1.00 0.93 H new ATOM 867 N GLY A 146 -2.258 23.286 -9.148 1.00 0.84 N ATOM 868 CA GLY A 146 -1.057 23.918 -8.521 1.00 0.92 C ATOM 869 C GLY A 146 -0.881 23.453 -7.069 1.00 0.66 C ATOM 870 O GLY A 146 0.224 23.404 -6.570 1.00 0.74 O ATOM 0 H GLY A 146 -2.126 22.321 -9.450 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -0.167 23.665 -9.097 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -1.157 25.003 -8.549 1.00 0.92 H new ATOM 874 N ARG A 147 -1.948 23.121 -6.384 1.00 0.56 N ATOM 875 CA ARG A 147 -1.813 22.677 -4.961 1.00 0.54 C ATOM 876 C ARG A 147 -1.939 21.154 -4.842 1.00 0.46 C ATOM 877 O ARG A 147 -2.881 20.558 -5.325 1.00 0.45 O ATOM 878 CB ARG A 147 -2.964 23.364 -4.220 1.00 0.77 C ATOM 879 CG ARG A 147 -2.410 24.497 -3.351 1.00 1.39 C ATOM 880 CD ARG A 147 -3.361 25.696 -3.401 1.00 1.79 C ATOM 881 NE ARG A 147 -2.752 26.635 -4.393 1.00 2.55 N ATOM 882 CZ ARG A 147 -2.932 26.459 -5.675 1.00 2.87 C ATOM 883 NH1 ARG A 147 -4.139 26.361 -6.163 1.00 3.37 N1+ ATOM 884 NH2 ARG A 147 -1.904 26.383 -6.468 1.00 3.10 N ATOM 0 H ARG A 147 -2.902 23.138 -6.746 1.00 0.56 H new ATOM 0 HA ARG A 147 -0.838 22.939 -4.550 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -3.686 23.760 -4.935 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -3.493 22.641 -3.599 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -2.293 24.156 -2.322 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -1.421 24.789 -3.704 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -4.362 25.393 -3.708 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -3.456 26.165 -2.422 1.00 1.79 H new ATOM 0 HE ARG A 147 -2.190 27.421 -4.065 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -4.946 26.422 -5.543 1.00 3.37 H new ATOM 0 HH12 ARG A 147 -4.275 26.224 -7.165 1.00 3.37 H new ATOM 0 HH21 ARG A 147 -0.960 26.461 -6.089 1.00 3.10 H new ATOM 0 HH22 ARG A 147 -2.041 26.246 -7.469 1.00 3.10 H new ATOM 898 N ILE A 148 -1.000 20.524 -4.186 1.00 0.49 N ATOM 899 CA ILE A 148 -1.066 19.040 -4.016 1.00 0.44 C ATOM 900 C ILE A 148 -1.765 18.715 -2.690 1.00 0.46 C ATOM 901 O ILE A 148 -1.479 19.307 -1.665 1.00 0.63 O ATOM 902 CB ILE A 148 0.392 18.571 -4.024 1.00 0.46 C ATOM 903 CG1 ILE A 148 1.037 18.973 -5.356 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.443 17.049 -3.883 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.378 18.258 -5.522 1.00 0.63 C ATOM 0 H ILE A 148 -0.189 20.972 -3.760 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.635 18.541 -4.801 1.00 0.44 H new ATOM 0 HB ILE A 148 0.928 19.031 -3.194 1.00 0.46 H new ATOM 0 HG12 ILE A 148 0.374 18.718 -6.183 1.00 0.56 H new ATOM 0 HG13 ILE A 148 1.184 20.053 -5.387 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.481 16.718 -3.889 1.00 0.47 H new ATOM 0 HG22 ILE A 148 -0.026 16.755 -2.944 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.090 16.588 -4.715 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.830 18.548 -6.470 1.00 0.63 H new ATOM 0 HD12 ILE A 148 3.042 18.535 -4.703 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.219 17.180 -5.511 1.00 0.63 H new ATOM 917 N ASP A 149 -2.707 17.806 -2.715 1.00 0.48 N ATOM 918 CA ASP A 149 -3.467 17.467 -1.469 1.00 0.53 C ATOM 919 C ASP A 149 -2.983 16.149 -0.844 1.00 0.53 C ATOM 920 O ASP A 149 -2.175 15.434 -1.409 1.00 0.63 O ATOM 921 CB ASP A 149 -4.927 17.337 -1.928 1.00 0.58 C ATOM 922 CG ASP A 149 -5.315 18.530 -2.811 1.00 1.05 C ATOM 923 OD1 ASP A 149 -5.453 19.618 -2.280 1.00 1.84 O ATOM 924 OD2 ASP A 149 -5.463 18.335 -4.007 1.00 1.65 O ATOM 0 H ASP A 149 -2.984 17.282 -3.545 1.00 0.48 H new ATOM 0 HA ASP A 149 -3.331 18.228 -0.700 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -5.060 16.408 -2.482 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -5.585 17.288 -1.061 1.00 0.58 H new ATOM 929 N TYR A 150 -3.490 15.830 0.327 1.00 0.58 N ATOM 930 CA TYR A 150 -3.093 14.562 1.021 1.00 0.60 C ATOM 931 C TYR A 150 -3.570 13.347 0.216 1.00 0.59 C ATOM 932 O TYR A 150 -2.840 12.390 0.038 1.00 0.63 O ATOM 933 CB TYR A 150 -3.798 14.618 2.380 1.00 0.73 C ATOM 934 CG TYR A 150 -3.244 13.545 3.290 1.00 0.72 C ATOM 935 CD1 TYR A 150 -1.988 13.710 3.887 1.00 1.15 C ATOM 936 CD2 TYR A 150 -3.991 12.386 3.541 1.00 1.22 C ATOM 937 CE1 TYR A 150 -1.478 12.716 4.733 1.00 1.43 C ATOM 938 CE2 TYR A 150 -3.482 11.394 4.388 1.00 1.56 C ATOM 939 CZ TYR A 150 -2.224 11.559 4.984 1.00 1.48 C ATOM 940 OH TYR A 150 -1.721 10.585 5.821 1.00 1.96 O ATOM 0 H TYR A 150 -4.167 16.400 0.834 1.00 0.58 H new ATOM 0 HA TYR A 150 -2.012 14.468 1.126 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -3.657 15.600 2.833 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -4.871 14.478 2.249 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -1.412 14.603 3.695 1.00 1.15 H new ATOM 0 HD2 TYR A 150 -4.960 12.258 3.081 1.00 1.22 H new ATOM 0 HE1 TYR A 150 -0.508 12.843 5.192 1.00 1.43 H new ATOM 0 HE2 TYR A 150 -4.059 10.502 4.582 1.00 1.56 H new ATOM 0 HH TYR A 150 -2.124 9.720 5.596 1.00 1.96 H new ATOM 950 N ASP A 151 -4.784 13.388 -0.281 1.00 0.64 N ATOM 951 CA ASP A 151 -5.308 12.246 -1.093 1.00 0.70 C ATOM 952 C ASP A 151 -4.407 12.047 -2.318 1.00 0.63 C ATOM 953 O ASP A 151 -4.031 10.940 -2.656 1.00 0.77 O ATOM 954 CB ASP A 151 -6.721 12.668 -1.511 1.00 0.79 C ATOM 955 CG ASP A 151 -7.651 12.623 -0.298 1.00 1.24 C ATOM 956 OD1 ASP A 151 -7.621 13.562 0.481 1.00 1.83 O ATOM 957 OD2 ASP A 151 -8.372 11.649 -0.165 1.00 1.90 O ATOM 0 H ASP A 151 -5.434 14.164 -0.159 1.00 0.64 H new ATOM 0 HA ASP A 151 -5.324 11.304 -0.545 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.702 13.674 -1.930 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -7.093 12.005 -2.292 1.00 0.79 H new ATOM 962 N GLU A 152 -4.035 13.129 -2.962 1.00 0.54 N ATOM 963 CA GLU A 152 -3.129 13.040 -4.148 1.00 0.56 C ATOM 964 C GLU A 152 -1.774 12.463 -3.715 1.00 0.52 C ATOM 965 O GLU A 152 -1.140 11.721 -4.440 1.00 0.65 O ATOM 966 CB GLU A 152 -2.958 14.489 -4.622 1.00 0.60 C ATOM 967 CG GLU A 152 -4.276 15.011 -5.211 1.00 0.77 C ATOM 968 CD GLU A 152 -4.028 16.294 -6.015 1.00 0.72 C ATOM 969 OE1 GLU A 152 -3.189 17.084 -5.611 1.00 1.17 O ATOM 970 OE2 GLU A 152 -4.694 16.473 -7.019 1.00 1.40 O ATOM 0 H GLU A 152 -4.323 14.075 -2.713 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.527 12.397 -4.933 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -2.649 15.119 -3.788 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.169 14.544 -5.372 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -4.721 14.251 -5.853 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -4.988 15.208 -4.409 1.00 0.77 H new ATOM 977 N PHE A 153 -1.339 12.809 -2.526 1.00 0.46 N ATOM 978 CA PHE A 153 -0.033 12.304 -1.998 1.00 0.46 C ATOM 979 C PHE A 153 -0.008 10.769 -1.974 1.00 0.50 C ATOM 980 O PHE A 153 0.895 10.148 -2.498 1.00 0.64 O ATOM 981 CB PHE A 153 0.039 12.863 -0.573 1.00 0.49 C ATOM 982 CG PHE A 153 1.454 12.805 -0.056 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.461 13.547 -0.682 1.00 0.52 C ATOM 984 CD2 PHE A 153 1.755 12.015 1.060 1.00 0.62 C ATOM 985 CE1 PHE A 153 3.770 13.496 -0.195 1.00 0.61 C ATOM 986 CE2 PHE A 153 3.064 11.966 1.547 1.00 0.73 C ATOM 987 CZ PHE A 153 4.072 12.706 0.921 1.00 0.68 C ATOM 0 H PHE A 153 -1.842 13.429 -1.891 1.00 0.46 H new ATOM 0 HA PHE A 153 0.810 12.614 -2.615 1.00 0.46 H new ATOM 0 HB2 PHE A 153 -0.317 13.893 -0.561 1.00 0.49 H new ATOM 0 HB3 PHE A 153 -0.618 12.291 0.082 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.227 14.159 -1.541 1.00 0.52 H new ATOM 0 HD2 PHE A 153 0.976 11.444 1.544 1.00 0.62 H new ATOM 0 HE1 PHE A 153 4.549 14.066 -0.680 1.00 0.61 H new ATOM 0 HE2 PHE A 153 3.297 11.356 2.407 1.00 0.73 H new ATOM 0 HZ PHE A 153 5.083 12.668 1.298 1.00 0.68 H new ATOM 997 N LEU A 154 -0.993 10.159 -1.363 1.00 0.53 N ATOM 998 CA LEU A 154 -1.036 8.664 -1.292 1.00 0.62 C ATOM 999 C LEU A 154 -1.147 8.047 -2.694 1.00 0.65 C ATOM 1000 O LEU A 154 -0.657 6.960 -2.937 1.00 0.83 O ATOM 1001 CB LEU A 154 -2.284 8.343 -0.462 1.00 0.75 C ATOM 1002 CG LEU A 154 -1.899 8.159 1.012 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -0.782 7.118 1.133 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -1.413 9.492 1.586 1.00 1.20 C ATOM 0 H LEU A 154 -1.773 10.633 -0.908 1.00 0.53 H new ATOM 0 HA LEU A 154 -0.128 8.254 -0.849 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -3.012 9.148 -0.559 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -2.759 7.437 -0.839 1.00 0.75 H new ATOM 0 HG LEU A 154 -2.772 7.818 1.568 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -0.514 6.992 2.182 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -1.127 6.166 0.730 1.00 1.65 H new ATOM 0 HD13 LEU A 154 0.091 7.454 0.573 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -1.140 9.359 2.633 1.00 1.20 H new ATOM 0 HD22 LEU A 154 -0.544 9.834 1.025 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -2.209 10.233 1.510 1.00 1.20 H new ATOM 1016 N GLU A 155 -1.782 8.728 -3.616 1.00 0.69 N ATOM 1017 CA GLU A 155 -1.919 8.173 -5.000 1.00 0.81 C ATOM 1018 C GLU A 155 -0.607 8.337 -5.786 1.00 0.76 C ATOM 1019 O GLU A 155 -0.209 7.459 -6.531 1.00 0.90 O ATOM 1020 CB GLU A 155 -3.043 8.992 -5.645 1.00 0.97 C ATOM 1021 CG GLU A 155 -4.071 8.046 -6.275 1.00 1.41 C ATOM 1022 CD GLU A 155 -3.677 7.744 -7.722 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -3.822 8.626 -8.552 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -3.236 6.636 -7.975 1.00 2.77 O ATOM 0 H GLU A 155 -2.211 9.642 -3.471 1.00 0.69 H new ATOM 0 HA GLU A 155 -2.142 7.106 -4.992 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -3.524 9.621 -4.896 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.632 9.657 -6.405 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -4.126 7.120 -5.702 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -5.062 8.499 -6.245 1.00 1.41 H new ATOM 1031 N PHE A 156 0.061 9.456 -5.627 1.00 0.66 N ATOM 1032 CA PHE A 156 1.344 9.694 -6.367 1.00 0.77 C ATOM 1033 C PHE A 156 2.508 8.922 -5.730 1.00 0.71 C ATOM 1034 O PHE A 156 3.317 8.338 -6.426 1.00 0.88 O ATOM 1035 CB PHE A 156 1.580 11.206 -6.267 1.00 0.84 C ATOM 1036 CG PHE A 156 2.926 11.568 -6.861 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.051 11.743 -8.239 1.00 1.49 C ATOM 1038 CD2 PHE A 156 4.042 11.740 -6.035 1.00 1.09 C ATOM 1039 CE1 PHE A 156 4.286 12.091 -8.797 1.00 1.72 C ATOM 1040 CE2 PHE A 156 5.278 12.085 -6.591 1.00 1.31 C ATOM 1041 CZ PHE A 156 5.400 12.262 -7.973 1.00 1.53 C ATOM 0 H PHE A 156 -0.228 10.218 -5.014 1.00 0.66 H new ATOM 0 HA PHE A 156 1.284 9.350 -7.400 1.00 0.77 H new ATOM 0 HB2 PHE A 156 0.788 11.740 -6.792 1.00 0.84 H new ATOM 0 HB3 PHE A 156 1.539 11.519 -5.224 1.00 0.84 H new ATOM 0 HD1 PHE A 156 2.191 11.609 -8.878 1.00 1.49 H new ATOM 0 HD2 PHE A 156 3.949 11.606 -4.967 1.00 1.09 H new ATOM 0 HE1 PHE A 156 4.377 12.227 -9.864 1.00 1.72 H new ATOM 0 HE2 PHE A 156 6.139 12.215 -5.952 1.00 1.31 H new ATOM 0 HZ PHE A 156 6.354 12.530 -8.402 1.00 1.53 H new ATOM 1051 N MET A 157 2.609 8.921 -4.419 1.00 0.61 N ATOM 1052 CA MET A 157 3.738 8.195 -3.742 1.00 0.69 C ATOM 1053 C MET A 157 3.844 6.737 -4.216 1.00 0.83 C ATOM 1054 O MET A 157 4.907 6.144 -4.170 1.00 1.17 O ATOM 1055 CB MET A 157 3.411 8.245 -2.249 1.00 0.84 C ATOM 1056 CG MET A 157 3.791 9.617 -1.686 1.00 0.92 C ATOM 1057 SD MET A 157 5.525 9.982 -2.070 1.00 1.56 S ATOM 1058 CE MET A 157 6.273 8.869 -0.854 1.00 0.90 C ATOM 0 H MET A 157 1.959 9.391 -3.788 1.00 0.61 H new ATOM 0 HA MET A 157 4.697 8.658 -3.975 1.00 0.69 H new ATOM 0 HB2 MET A 157 2.349 8.058 -2.093 1.00 0.84 H new ATOM 0 HB3 MET A 157 3.954 7.461 -1.721 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.146 10.386 -2.111 1.00 0.92 H new ATOM 0 HG3 MET A 157 3.637 9.632 -0.607 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.358 8.962 -0.894 1.00 0.90 H new ATOM 0 HE2 MET A 157 5.923 9.132 0.144 1.00 0.90 H new ATOM 0 HE3 MET A 157 5.989 7.841 -1.079 1.00 0.90 H new ATOM 1068 N LYS A 158 2.761 6.157 -4.671 1.00 0.86 N ATOM 1069 CA LYS A 158 2.803 4.739 -5.149 1.00 1.07 C ATOM 1070 C LYS A 158 3.765 4.585 -6.342 1.00 1.36 C ATOM 1071 O LYS A 158 4.349 3.535 -6.534 1.00 1.73 O ATOM 1072 CB LYS A 158 1.369 4.424 -5.582 1.00 1.28 C ATOM 1073 CG LYS A 158 0.501 4.161 -4.348 1.00 1.66 C ATOM 1074 CD LYS A 158 -0.795 3.467 -4.775 1.00 2.24 C ATOM 1075 CE LYS A 158 -1.862 4.522 -5.090 1.00 2.85 C ATOM 1076 NZ LYS A 158 -1.914 4.591 -6.578 1.00 3.52 N1+ ATOM 0 H LYS A 158 1.847 6.605 -4.732 1.00 0.86 H new ATOM 0 HA LYS A 158 3.161 4.064 -4.372 1.00 1.07 H new ATOM 0 HB2 LYS A 158 0.961 5.257 -6.154 1.00 1.28 H new ATOM 0 HB3 LYS A 158 1.360 3.553 -6.237 1.00 1.28 H new ATOM 0 HG2 LYS A 158 1.042 3.538 -3.636 1.00 1.66 H new ATOM 0 HG3 LYS A 158 0.274 5.100 -3.843 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -0.615 2.844 -5.651 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -1.145 2.807 -3.981 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -2.830 4.240 -4.675 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -1.600 5.488 -4.660 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -2.451 5.433 -6.868 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -0.947 4.649 -6.957 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -2.380 3.739 -6.949 1.00 3.52 H new