USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=16 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 138 LYS NZ :NH3+ 161:sc= 1.76 (180deg=0.0395) USER MOD Set 1.2: A 144 ASN : amide:sc= 1.6 K(o=3.4,f=-7.7!) USER MOD Single : A 98 SER OG : rot -88:sc= 0.719 USER MOD Single : A 103 MET CE :methyl 147:sc= -0.204 (180deg=-1.01) USER MOD Single : A 106 LYS NZ :NH3+ -149:sc=-0.00837 (180deg=-1.17) USER MOD Single : A 107 ASN : amide:sc= -0.0229 K(o=-0.023,f=-0.71) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -137:sc= 0.92 (180deg=-2.62!) USER MOD Single : A 120 MET CE :methyl 160:sc= -4.25 (180deg=-6.71!) USER MOD Single : A 122 GLN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot -56:sc= 0.721 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -173:sc= -7.42! (180deg=-7.75!) USER MOD Single : A 142 LYS NZ :NH3+ 149:sc= 0.305 (180deg=-0.0416) USER MOD Single : A 143 ASN :FLIP amide:sc= -0.176 F(o=-0.87,f=-0.18) USER MOD Single : A 150 TYR OH : rot -21:sc= 0.494 USER MOD Single : A 157 MET CE :methyl 132:sc= -5.18! (180deg=-6.8!) USER MOD Single : A 158 LYS NZ :NH3+ -175:sc= 1.19 (180deg=1.04) USER MOD ----------------------------------------------------------------- ATOM 60 N GLU A 94 2.306 4.861 5.676 1.00 1.26 N ATOM 61 CA GLU A 94 2.030 6.283 6.065 1.00 1.17 C ATOM 62 C GLU A 94 2.937 6.749 7.222 1.00 1.12 C ATOM 63 O GLU A 94 3.009 7.931 7.507 1.00 1.09 O ATOM 64 CB GLU A 94 0.558 6.309 6.481 1.00 1.33 C ATOM 65 CG GLU A 94 -0.285 6.849 5.320 1.00 1.28 C ATOM 66 CD GLU A 94 -1.294 7.870 5.850 1.00 1.44 C ATOM 67 OE1 GLU A 94 -0.925 9.024 5.980 1.00 1.94 O ATOM 68 OE2 GLU A 94 -2.418 7.481 6.117 1.00 2.09 O ATOM 0 HA GLU A 94 2.236 6.964 5.239 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.226 5.306 6.751 1.00 1.33 H new ATOM 0 HB3 GLU A 94 0.428 6.936 7.363 1.00 1.33 H new ATOM 0 HG2 GLU A 94 0.360 7.314 4.574 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -0.807 6.030 4.825 1.00 1.28 H new ATOM 75 N GLU A 95 3.645 5.853 7.882 1.00 1.19 N ATOM 76 CA GLU A 95 4.547 6.290 8.999 1.00 1.23 C ATOM 77 C GLU A 95 5.700 7.136 8.423 1.00 1.03 C ATOM 78 O GLU A 95 6.100 8.129 9.000 1.00 1.01 O ATOM 79 CB GLU A 95 5.033 4.986 9.673 1.00 1.45 C ATOM 80 CG GLU A 95 6.401 4.538 9.139 1.00 1.90 C ATOM 81 CD GLU A 95 6.198 3.533 8.008 1.00 2.12 C ATOM 82 OE1 GLU A 95 5.996 3.967 6.892 1.00 2.49 O ATOM 83 OE2 GLU A 95 6.251 2.346 8.278 1.00 2.66 O ATOM 0 H GLU A 95 3.636 4.850 7.696 1.00 1.19 H new ATOM 0 HA GLU A 95 4.050 6.922 9.735 1.00 1.23 H new ATOM 0 HB2 GLU A 95 5.096 5.137 10.751 1.00 1.45 H new ATOM 0 HB3 GLU A 95 4.301 4.196 9.504 1.00 1.45 H new ATOM 0 HG2 GLU A 95 6.963 5.399 8.779 1.00 1.90 H new ATOM 0 HG3 GLU A 95 6.987 4.088 9.940 1.00 1.90 H new ATOM 90 N GLU A 96 6.202 6.760 7.274 1.00 1.02 N ATOM 91 CA GLU A 96 7.296 7.540 6.620 1.00 0.94 C ATOM 92 C GLU A 96 6.689 8.510 5.591 1.00 0.79 C ATOM 93 O GLU A 96 7.300 9.491 5.210 1.00 0.82 O ATOM 94 CB GLU A 96 8.169 6.491 5.925 1.00 1.15 C ATOM 95 CG GLU A 96 9.618 6.624 6.404 1.00 1.62 C ATOM 96 CD GLU A 96 10.437 5.425 5.919 1.00 1.99 C ATOM 97 OE1 GLU A 96 10.548 5.252 4.716 1.00 2.18 O ATOM 98 OE2 GLU A 96 10.947 4.703 6.759 1.00 2.78 O ATOM 0 H GLU A 96 5.897 5.936 6.756 1.00 1.02 H new ATOM 0 HA GLU A 96 7.871 8.136 7.328 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.795 5.491 6.142 1.00 1.15 H new ATOM 0 HB3 GLU A 96 8.120 6.622 4.844 1.00 1.15 H new ATOM 0 HG2 GLU A 96 10.052 7.549 6.026 1.00 1.62 H new ATOM 0 HG3 GLU A 96 9.647 6.680 7.492 1.00 1.62 H new ATOM 105 N LEU A 97 5.486 8.232 5.143 1.00 0.77 N ATOM 106 CA LEU A 97 4.813 9.115 4.139 1.00 0.71 C ATOM 107 C LEU A 97 4.319 10.415 4.793 1.00 0.67 C ATOM 108 O LEU A 97 4.489 11.490 4.249 1.00 0.75 O ATOM 109 CB LEU A 97 3.620 8.291 3.639 1.00 0.80 C ATOM 110 CG LEU A 97 3.863 7.804 2.209 1.00 0.77 C ATOM 111 CD1 LEU A 97 3.788 8.991 1.256 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.240 7.140 2.099 1.00 1.22 C ATOM 0 H LEU A 97 4.938 7.423 5.434 1.00 0.77 H new ATOM 0 HA LEU A 97 5.490 9.408 3.336 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.459 7.437 4.297 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.714 8.895 3.674 1.00 0.80 H new ATOM 0 HG LEU A 97 3.100 7.071 1.947 1.00 0.77 H new ATOM 0 HD11 LEU A 97 3.961 8.650 0.235 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.802 9.450 1.323 1.00 1.40 H new ATOM 0 HD13 LEU A 97 4.548 9.724 1.527 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.399 6.799 1.076 1.00 1.22 H new ATOM 0 HD22 LEU A 97 6.014 7.860 2.365 1.00 1.22 H new ATOM 0 HD23 LEU A 97 5.288 6.288 2.777 1.00 1.22 H new ATOM 124 N SER A 98 3.701 10.321 5.950 1.00 0.69 N ATOM 125 CA SER A 98 3.183 11.549 6.642 1.00 0.76 C ATOM 126 C SER A 98 4.295 12.596 6.810 1.00 0.72 C ATOM 127 O SER A 98 4.078 13.774 6.592 1.00 0.77 O ATOM 128 CB SER A 98 2.680 11.073 8.009 1.00 0.92 C ATOM 129 OG SER A 98 3.729 10.401 8.699 1.00 1.57 O ATOM 0 H SER A 98 3.533 9.445 6.446 1.00 0.69 H new ATOM 0 HA SER A 98 2.392 12.027 6.064 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.332 11.923 8.596 1.00 0.92 H new ATOM 0 HB3 SER A 98 1.829 10.404 7.881 1.00 0.92 H new ATOM 0 HG SER A 98 3.721 9.450 8.461 1.00 1.57 H new ATOM 135 N ASP A 99 5.481 12.179 7.185 1.00 0.80 N ATOM 136 CA ASP A 99 6.603 13.156 7.354 1.00 0.86 C ATOM 137 C ASP A 99 6.946 13.805 6.008 1.00 0.81 C ATOM 138 O ASP A 99 7.112 15.007 5.917 1.00 0.91 O ATOM 139 CB ASP A 99 7.784 12.331 7.877 1.00 1.02 C ATOM 140 CG ASP A 99 8.396 13.022 9.098 1.00 1.23 C ATOM 141 OD1 ASP A 99 8.670 14.210 9.013 1.00 1.79 O ATOM 142 OD2 ASP A 99 8.578 12.353 10.099 1.00 1.83 O ATOM 0 H ASP A 99 5.720 11.207 7.381 1.00 0.80 H new ATOM 0 HA ASP A 99 6.345 13.964 8.038 1.00 0.86 H new ATOM 0 HB2 ASP A 99 7.450 11.328 8.144 1.00 1.02 H new ATOM 0 HB3 ASP A 99 8.536 12.219 7.096 1.00 1.02 H new ATOM 147 N LEU A 100 7.036 13.017 4.963 1.00 0.75 N ATOM 148 CA LEU A 100 7.352 13.580 3.611 1.00 0.76 C ATOM 149 C LEU A 100 6.318 14.645 3.205 1.00 0.68 C ATOM 150 O LEU A 100 6.602 15.512 2.409 1.00 0.79 O ATOM 151 CB LEU A 100 7.293 12.381 2.654 1.00 0.86 C ATOM 152 CG LEU A 100 8.429 12.483 1.635 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.094 11.116 1.475 1.00 1.41 C ATOM 154 CD2 LEU A 100 7.863 12.932 0.287 1.00 1.41 C ATOM 0 H LEU A 100 6.904 12.006 4.988 1.00 0.75 H new ATOM 0 HA LEU A 100 8.325 14.071 3.595 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.376 11.450 3.215 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.331 12.359 2.141 1.00 0.86 H new ATOM 0 HG LEU A 100 9.165 13.208 1.982 1.00 0.79 H new ATOM 0 HD11 LEU A 100 9.904 11.188 0.749 1.00 1.41 H new ATOM 0 HD12 LEU A 100 9.495 10.792 2.435 1.00 1.41 H new ATOM 0 HD13 LEU A 100 8.358 10.392 1.127 1.00 1.41 H new ATOM 0 HD21 LEU A 100 8.671 13.005 -0.441 1.00 1.41 H new ATOM 0 HD22 LEU A 100 7.128 12.205 -0.059 1.00 1.41 H new ATOM 0 HD23 LEU A 100 7.386 13.906 0.399 1.00 1.41 H new ATOM 166 N PHE A 101 5.120 14.584 3.738 1.00 0.60 N ATOM 167 CA PHE A 101 4.079 15.601 3.372 1.00 0.59 C ATOM 168 C PHE A 101 4.055 16.777 4.371 1.00 0.60 C ATOM 169 O PHE A 101 3.974 17.926 3.979 1.00 0.72 O ATOM 170 CB PHE A 101 2.743 14.845 3.417 1.00 0.61 C ATOM 171 CG PHE A 101 1.639 15.715 2.849 1.00 0.58 C ATOM 172 CD1 PHE A 101 1.158 16.810 3.580 1.00 0.68 C ATOM 173 CD2 PHE A 101 1.098 15.427 1.590 1.00 0.86 C ATOM 174 CE1 PHE A 101 0.141 17.614 3.053 1.00 0.73 C ATOM 175 CE2 PHE A 101 0.080 16.232 1.065 1.00 0.90 C ATOM 176 CZ PHE A 101 -0.398 17.325 1.795 1.00 0.69 C ATOM 0 H PHE A 101 4.818 13.877 4.408 1.00 0.60 H new ATOM 0 HA PHE A 101 4.283 16.035 2.393 1.00 0.59 H new ATOM 0 HB2 PHE A 101 2.819 13.920 2.846 1.00 0.61 H new ATOM 0 HB3 PHE A 101 2.507 14.567 4.444 1.00 0.61 H new ATOM 0 HD1 PHE A 101 1.573 17.034 4.552 1.00 0.68 H new ATOM 0 HD2 PHE A 101 1.466 14.584 1.024 1.00 0.86 H new ATOM 0 HE1 PHE A 101 -0.228 18.458 3.618 1.00 0.73 H new ATOM 0 HE2 PHE A 101 -0.337 16.008 0.094 1.00 0.90 H new ATOM 0 HZ PHE A 101 -1.183 17.945 1.388 1.00 0.69 H new ATOM 186 N ARG A 102 4.074 16.494 5.654 1.00 0.67 N ATOM 187 CA ARG A 102 3.992 17.592 6.681 1.00 0.76 C ATOM 188 C ARG A 102 5.293 18.409 6.817 1.00 0.68 C ATOM 189 O ARG A 102 5.241 19.598 7.065 1.00 0.78 O ATOM 190 CB ARG A 102 3.653 16.883 8.003 1.00 0.99 C ATOM 191 CG ARG A 102 4.879 16.132 8.537 1.00 1.30 C ATOM 192 CD ARG A 102 4.432 15.046 9.521 1.00 1.45 C ATOM 193 NE ARG A 102 5.693 14.567 10.162 1.00 2.12 N ATOM 194 CZ ARG A 102 5.646 13.703 11.134 1.00 2.71 C ATOM 195 NH1 ARG A 102 5.538 14.114 12.366 1.00 3.07 N ATOM 196 NH2 ARG A 102 5.720 12.428 10.872 1.00 3.37 N1+ ATOM 0 H ARG A 102 4.143 15.551 6.037 1.00 0.67 H new ATOM 0 HA ARG A 102 3.241 18.325 6.386 1.00 0.76 H new ATOM 0 HB2 ARG A 102 3.317 17.613 8.739 1.00 0.99 H new ATOM 0 HB3 ARG A 102 2.830 16.185 7.848 1.00 0.99 H new ATOM 0 HG2 ARG A 102 5.431 15.683 7.711 1.00 1.30 H new ATOM 0 HG3 ARG A 102 5.557 16.828 9.032 1.00 1.30 H new ATOM 0 HD2 ARG A 102 3.739 15.445 10.262 1.00 1.45 H new ATOM 0 HD3 ARG A 102 3.917 14.235 9.007 1.00 1.45 H new ATOM 0 HE ARG A 102 6.594 14.918 9.837 1.00 2.12 H new ATOM 0 HH11 ARG A 102 5.490 15.113 12.568 1.00 3.07 H new ATOM 0 HH12 ARG A 102 5.501 13.437 13.128 1.00 3.07 H new ATOM 0 HH21 ARG A 102 5.814 12.110 9.907 1.00 3.37 H new ATOM 0 HH22 ARG A 102 5.683 11.748 11.632 1.00 3.37 H new ATOM 210 N MET A 103 6.449 17.803 6.685 1.00 0.71 N ATOM 211 CA MET A 103 7.719 18.590 6.845 1.00 0.75 C ATOM 212 C MET A 103 8.271 19.084 5.493 1.00 0.68 C ATOM 213 O MET A 103 9.229 19.830 5.456 1.00 0.83 O ATOM 214 CB MET A 103 8.709 17.641 7.543 1.00 0.93 C ATOM 215 CG MET A 103 9.373 16.703 6.528 1.00 1.27 C ATOM 216 SD MET A 103 11.108 17.179 6.308 1.00 1.82 S ATOM 217 CE MET A 103 11.689 16.758 7.971 1.00 2.43 C ATOM 0 H MET A 103 6.571 16.812 6.476 1.00 0.71 H new ATOM 0 HA MET A 103 7.547 19.494 7.429 1.00 0.75 H new ATOM 0 HB2 MET A 103 9.472 18.222 8.061 1.00 0.93 H new ATOM 0 HB3 MET A 103 8.186 17.055 8.299 1.00 0.93 H new ATOM 0 HG2 MET A 103 9.309 15.671 6.874 1.00 1.27 H new ATOM 0 HG3 MET A 103 8.848 16.752 5.574 1.00 1.27 H new ATOM 0 HE1 MET A 103 12.721 16.411 7.919 1.00 2.43 H new ATOM 0 HE2 MET A 103 11.635 17.640 8.609 1.00 2.43 H new ATOM 0 HE3 MET A 103 11.061 15.970 8.387 1.00 2.43 H new ATOM 227 N PHE A 104 7.691 18.680 4.387 1.00 0.68 N ATOM 228 CA PHE A 104 8.215 19.139 3.058 1.00 0.79 C ATOM 229 C PHE A 104 7.552 20.453 2.602 1.00 0.71 C ATOM 230 O PHE A 104 8.028 21.097 1.686 1.00 0.88 O ATOM 231 CB PHE A 104 7.879 18.009 2.083 1.00 0.94 C ATOM 232 CG PHE A 104 9.011 16.992 2.035 1.00 1.31 C ATOM 233 CD1 PHE A 104 9.924 16.882 3.097 1.00 1.26 C ATOM 234 CD2 PHE A 104 9.142 16.154 0.919 1.00 2.03 C ATOM 235 CE1 PHE A 104 10.961 15.940 3.037 1.00 1.86 C ATOM 236 CE2 PHE A 104 10.178 15.214 0.862 1.00 2.65 C ATOM 237 CZ PHE A 104 11.087 15.107 1.919 1.00 2.56 C ATOM 0 H PHE A 104 6.884 18.057 4.345 1.00 0.68 H new ATOM 0 HA PHE A 104 9.284 19.344 3.109 1.00 0.79 H new ATOM 0 HB2 PHE A 104 6.955 17.519 2.389 1.00 0.94 H new ATOM 0 HB3 PHE A 104 7.708 18.419 1.088 1.00 0.94 H new ATOM 0 HD1 PHE A 104 9.827 17.524 3.960 1.00 1.26 H new ATOM 0 HD2 PHE A 104 8.442 16.234 0.101 1.00 2.03 H new ATOM 0 HE1 PHE A 104 11.663 15.857 3.854 1.00 1.86 H new ATOM 0 HE2 PHE A 104 10.275 14.570 0.000 1.00 2.65 H new ATOM 0 HZ PHE A 104 11.886 14.382 1.873 1.00 2.56 H new ATOM 247 N ASP A 105 6.466 20.862 3.216 1.00 0.61 N ATOM 248 CA ASP A 105 5.806 22.136 2.788 1.00 0.60 C ATOM 249 C ASP A 105 6.645 23.344 3.239 1.00 0.56 C ATOM 250 O ASP A 105 6.449 23.887 4.311 1.00 0.63 O ATOM 251 CB ASP A 105 4.430 22.131 3.466 1.00 0.68 C ATOM 252 CG ASP A 105 3.479 23.059 2.707 1.00 0.86 C ATOM 253 OD1 ASP A 105 2.859 22.600 1.766 1.00 1.45 O ATOM 254 OD2 ASP A 105 3.390 24.218 3.075 1.00 0.84 O ATOM 0 H ASP A 105 6.012 20.373 3.988 1.00 0.61 H new ATOM 0 HA ASP A 105 5.711 22.209 1.705 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.027 21.118 3.486 1.00 0.68 H new ATOM 0 HB3 ASP A 105 4.523 22.457 4.502 1.00 0.68 H new ATOM 259 N LYS A 106 7.584 23.762 2.423 1.00 0.59 N ATOM 260 CA LYS A 106 8.451 24.931 2.792 1.00 0.66 C ATOM 261 C LYS A 106 7.672 26.257 2.739 1.00 0.55 C ATOM 262 O LYS A 106 8.155 27.278 3.192 1.00 0.63 O ATOM 263 CB LYS A 106 9.590 24.937 1.762 1.00 0.87 C ATOM 264 CG LYS A 106 9.042 25.234 0.357 1.00 1.21 C ATOM 265 CD LYS A 106 9.629 26.553 -0.159 1.00 1.61 C ATOM 266 CE LYS A 106 10.201 26.352 -1.570 1.00 1.77 C ATOM 267 NZ LYS A 106 9.355 27.192 -2.469 1.00 2.14 N1+ ATOM 0 H LYS A 106 7.789 23.344 1.515 1.00 0.59 H new ATOM 0 HA LYS A 106 8.818 24.837 3.814 1.00 0.66 H new ATOM 0 HB2 LYS A 106 10.332 25.687 2.036 1.00 0.87 H new ATOM 0 HB3 LYS A 106 10.096 23.972 1.765 1.00 0.87 H new ATOM 0 HG2 LYS A 106 9.297 24.421 -0.323 1.00 1.21 H new ATOM 0 HG3 LYS A 106 7.954 25.296 0.386 1.00 1.21 H new ATOM 0 HD2 LYS A 106 8.858 27.323 -0.176 1.00 1.61 H new ATOM 0 HD3 LYS A 106 10.412 26.901 0.514 1.00 1.61 H new ATOM 0 HE2 LYS A 106 11.246 26.658 -1.617 1.00 1.77 H new ATOM 0 HE3 LYS A 106 10.163 25.303 -1.863 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 9.304 26.751 -3.409 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 8.397 27.271 -2.071 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 9.774 28.140 -2.554 1.00 2.14 H new ATOM 281 N ASN A 107 6.479 26.256 2.192 1.00 0.48 N ATOM 282 CA ASN A 107 5.688 27.520 2.118 1.00 0.50 C ATOM 283 C ASN A 107 4.862 27.725 3.409 1.00 0.58 C ATOM 284 O ASN A 107 4.457 28.828 3.716 1.00 0.70 O ATOM 285 CB ASN A 107 4.778 27.340 0.903 1.00 0.54 C ATOM 286 CG ASN A 107 4.121 28.673 0.538 1.00 0.70 C ATOM 287 OD1 ASN A 107 4.758 29.706 0.558 1.00 1.00 O ATOM 288 ND2 ASN A 107 2.863 28.689 0.200 1.00 0.78 N ATOM 0 H ASN A 107 6.022 25.435 1.795 1.00 0.48 H new ATOM 0 HA ASN A 107 6.323 28.401 2.023 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.356 26.967 0.058 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.012 26.595 1.119 1.00 0.54 H new ATOM 0 HD21 ASN A 107 2.413 29.570 -0.048 1.00 0.78 H new ATOM 0 HD22 ASN A 107 2.328 27.821 0.183 1.00 0.78 H new ATOM 295 N ALA A 108 4.626 26.664 4.161 1.00 0.65 N ATOM 296 CA ALA A 108 3.841 26.757 5.444 1.00 0.84 C ATOM 297 C ALA A 108 2.359 27.071 5.183 1.00 0.78 C ATOM 298 O ALA A 108 1.962 28.218 5.091 1.00 0.96 O ATOM 299 CB ALA A 108 4.500 27.875 6.263 1.00 1.03 C ATOM 0 H ALA A 108 4.950 25.724 3.934 1.00 0.65 H new ATOM 0 HA ALA A 108 3.856 25.806 5.976 1.00 0.84 H new ATOM 0 HB1 ALA A 108 3.973 27.991 7.210 1.00 1.03 H new ATOM 0 HB2 ALA A 108 5.542 27.619 6.457 1.00 1.03 H new ATOM 0 HB3 ALA A 108 4.454 28.810 5.705 1.00 1.03 H new ATOM 305 N ASP A 109 1.538 26.049 5.087 1.00 0.73 N ATOM 306 CA ASP A 109 0.066 26.258 4.854 1.00 0.74 C ATOM 307 C ASP A 109 -0.693 24.912 4.860 1.00 0.78 C ATOM 308 O ASP A 109 -1.852 24.862 5.226 1.00 0.96 O ATOM 309 CB ASP A 109 -0.064 26.957 3.490 1.00 0.72 C ATOM 310 CG ASP A 109 0.852 26.298 2.463 1.00 1.15 C ATOM 311 OD1 ASP A 109 0.495 25.245 1.973 1.00 1.66 O ATOM 312 OD2 ASP A 109 1.895 26.859 2.181 1.00 1.95 O ATOM 0 H ASP A 109 1.824 25.073 5.160 1.00 0.73 H new ATOM 0 HA ASP A 109 -0.373 26.863 5.647 1.00 0.74 H new ATOM 0 HB2 ASP A 109 -1.098 26.910 3.147 1.00 0.72 H new ATOM 0 HB3 ASP A 109 0.191 28.012 3.590 1.00 0.72 H new ATOM 317 N GLY A 110 -0.055 23.825 4.474 1.00 0.76 N ATOM 318 CA GLY A 110 -0.751 22.496 4.477 1.00 0.85 C ATOM 319 C GLY A 110 -0.853 21.917 3.057 1.00 0.70 C ATOM 320 O GLY A 110 -1.029 20.725 2.887 1.00 0.73 O ATOM 0 H GLY A 110 0.915 23.804 4.158 1.00 0.76 H new ATOM 0 HA2 GLY A 110 -0.209 21.800 5.118 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.750 22.607 4.900 1.00 0.85 H new ATOM 324 N TYR A 111 -0.739 22.735 2.040 1.00 0.68 N ATOM 325 CA TYR A 111 -0.826 22.210 0.639 1.00 0.60 C ATOM 326 C TYR A 111 0.448 22.580 -0.124 1.00 0.58 C ATOM 327 O TYR A 111 0.794 23.736 -0.227 1.00 0.83 O ATOM 328 CB TYR A 111 -2.034 22.922 0.015 1.00 0.68 C ATOM 329 CG TYR A 111 -3.246 22.809 0.916 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.392 23.670 2.016 1.00 0.78 C ATOM 331 CD2 TYR A 111 -4.228 21.851 0.645 1.00 0.71 C ATOM 332 CE1 TYR A 111 -4.521 23.568 2.839 1.00 0.83 C ATOM 333 CE2 TYR A 111 -5.354 21.748 1.471 1.00 0.78 C ATOM 334 CZ TYR A 111 -5.501 22.606 2.568 1.00 0.80 C ATOM 335 OH TYR A 111 -6.615 22.507 3.378 1.00 0.90 O ATOM 0 H TYR A 111 -0.590 23.741 2.117 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.932 21.126 0.608 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.796 23.972 -0.153 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -2.257 22.486 -0.959 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.634 24.410 2.227 1.00 0.78 H new ATOM 0 HD2 TYR A 111 -4.118 21.190 -0.202 1.00 0.71 H new ATOM 0 HE1 TYR A 111 -4.635 24.232 3.683 1.00 0.83 H new ATOM 0 HE2 TYR A 111 -6.110 21.006 1.262 1.00 0.78 H new ATOM 0 HH TYR A 111 -7.196 21.789 3.049 1.00 0.90 H new ATOM 345 N ILE A 112 1.144 21.616 -0.667 1.00 0.50 N ATOM 346 CA ILE A 112 2.401 21.940 -1.419 1.00 0.50 C ATOM 347 C ILE A 112 2.067 22.574 -2.775 1.00 0.49 C ATOM 348 O ILE A 112 1.106 22.211 -3.418 1.00 0.66 O ATOM 349 CB ILE A 112 3.128 20.599 -1.594 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.820 20.229 -0.277 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.182 20.713 -2.700 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.201 18.748 -0.293 1.00 0.66 C ATOM 0 H ILE A 112 0.903 20.626 -0.625 1.00 0.50 H new ATOM 0 HA ILE A 112 3.022 22.662 -0.889 1.00 0.50 H new ATOM 0 HB ILE A 112 2.404 19.831 -1.867 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.711 20.842 -0.138 1.00 0.62 H new ATOM 0 HG13 ILE A 112 3.157 20.435 0.564 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.692 19.757 -2.816 1.00 0.58 H new ATOM 0 HG22 ILE A 112 3.697 20.982 -3.638 1.00 0.58 H new ATOM 0 HG23 ILE A 112 4.908 21.481 -2.433 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.693 18.489 0.645 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.302 18.142 -0.411 1.00 0.66 H new ATOM 0 HD13 ILE A 112 4.880 18.556 -1.124 1.00 0.66 H new ATOM 364 N ASP A 113 2.859 23.522 -3.207 1.00 0.47 N ATOM 365 CA ASP A 113 2.598 24.185 -4.520 1.00 0.50 C ATOM 366 C ASP A 113 3.727 23.863 -5.510 1.00 0.50 C ATOM 367 O ASP A 113 4.745 23.298 -5.147 1.00 0.57 O ATOM 368 CB ASP A 113 2.539 25.683 -4.203 1.00 0.60 C ATOM 369 CG ASP A 113 1.320 25.970 -3.320 1.00 1.17 C ATOM 370 OD1 ASP A 113 0.238 26.120 -3.867 1.00 1.85 O ATOM 371 OD2 ASP A 113 1.485 26.029 -2.111 1.00 1.77 O ATOM 0 H ASP A 113 3.678 23.866 -2.705 1.00 0.47 H new ATOM 0 HA ASP A 113 1.675 23.842 -4.987 1.00 0.50 H new ATOM 0 HB2 ASP A 113 3.451 25.994 -3.694 1.00 0.60 H new ATOM 0 HB3 ASP A 113 2.476 26.259 -5.126 1.00 0.60 H new ATOM 376 N LEU A 114 3.539 24.200 -6.760 1.00 0.52 N ATOM 377 CA LEU A 114 4.577 23.903 -7.804 1.00 0.57 C ATOM 378 C LEU A 114 5.950 24.513 -7.454 1.00 0.63 C ATOM 379 O LEU A 114 6.975 24.019 -7.883 1.00 0.80 O ATOM 380 CB LEU A 114 4.021 24.528 -9.087 1.00 0.62 C ATOM 381 CG LEU A 114 3.033 23.555 -9.738 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.697 24.259 -9.988 1.00 0.91 C ATOM 383 CD2 LEU A 114 3.604 23.068 -11.070 1.00 0.81 C ATOM 0 H LEU A 114 2.705 24.672 -7.109 1.00 0.52 H new ATOM 0 HA LEU A 114 4.753 22.831 -7.894 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.524 25.471 -8.860 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.834 24.754 -9.777 1.00 0.62 H new ATOM 0 HG LEU A 114 2.874 22.707 -9.072 1.00 0.61 H new ATOM 0 HD11 LEU A 114 0.999 23.561 -10.451 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.286 24.608 -9.040 1.00 0.91 H new ATOM 0 HD13 LEU A 114 1.853 25.110 -10.651 1.00 0.91 H new ATOM 0 HD21 LEU A 114 2.903 22.375 -11.535 1.00 0.81 H new ATOM 0 HD22 LEU A 114 3.764 23.920 -11.730 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.553 22.561 -10.895 1.00 0.81 H new ATOM 395 N ASP A 115 5.985 25.583 -6.696 1.00 0.61 N ATOM 396 CA ASP A 115 7.301 26.218 -6.350 1.00 0.71 C ATOM 397 C ASP A 115 8.064 25.436 -5.262 1.00 0.65 C ATOM 398 O ASP A 115 9.261 25.596 -5.113 1.00 0.89 O ATOM 399 CB ASP A 115 6.940 27.617 -5.845 1.00 0.80 C ATOM 400 CG ASP A 115 8.202 28.478 -5.764 1.00 1.17 C ATOM 401 OD1 ASP A 115 8.785 28.742 -6.803 1.00 1.76 O ATOM 402 OD2 ASP A 115 8.565 28.854 -4.664 1.00 1.76 O ATOM 0 H ASP A 115 5.165 26.044 -6.303 1.00 0.61 H new ATOM 0 HA ASP A 115 7.964 26.235 -7.215 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.215 28.080 -6.514 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.470 27.550 -4.864 1.00 0.80 H new ATOM 407 N GLU A 116 7.396 24.608 -4.493 1.00 0.51 N ATOM 408 CA GLU A 116 8.113 23.846 -3.418 1.00 0.48 C ATOM 409 C GLU A 116 8.512 22.435 -3.898 1.00 0.49 C ATOM 410 O GLU A 116 9.396 21.819 -3.333 1.00 0.63 O ATOM 411 CB GLU A 116 7.130 23.757 -2.241 1.00 0.48 C ATOM 412 CG GLU A 116 6.573 25.143 -1.901 1.00 0.57 C ATOM 413 CD GLU A 116 5.297 24.985 -1.078 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.373 24.441 0.013 1.00 1.19 O ATOM 415 OE2 GLU A 116 4.264 25.413 -1.549 1.00 1.36 O ATOM 0 H GLU A 116 6.394 24.427 -4.561 1.00 0.51 H new ATOM 0 HA GLU A 116 9.039 24.347 -3.136 1.00 0.48 H new ATOM 0 HB2 GLU A 116 6.312 23.082 -2.493 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.633 23.337 -1.370 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.312 25.717 -1.342 1.00 0.57 H new ATOM 0 HG3 GLU A 116 6.363 25.698 -2.815 1.00 0.57 H new ATOM 422 N LEU A 117 7.877 21.919 -4.933 1.00 0.48 N ATOM 423 CA LEU A 117 8.239 20.547 -5.435 1.00 0.52 C ATOM 424 C LEU A 117 9.687 20.544 -5.957 1.00 0.58 C ATOM 425 O LEU A 117 10.478 19.684 -5.618 1.00 0.69 O ATOM 426 CB LEU A 117 7.273 20.242 -6.593 1.00 0.55 C ATOM 427 CG LEU A 117 5.813 20.355 -6.139 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.932 20.552 -7.369 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.381 19.071 -5.421 1.00 0.53 C ATOM 0 H LEU A 117 7.130 22.385 -5.447 1.00 0.48 H new ATOM 0 HA LEU A 117 8.163 19.803 -4.642 1.00 0.52 H new ATOM 0 HB2 LEU A 117 7.456 20.934 -7.415 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.462 19.238 -6.973 1.00 0.55 H new ATOM 0 HG LEU A 117 5.713 21.198 -5.455 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.890 20.634 -7.061 1.00 0.58 H new ATOM 0 HD12 LEU A 117 5.230 21.463 -7.888 1.00 0.58 H new ATOM 0 HD13 LEU A 117 5.046 19.700 -8.039 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.342 19.164 -5.103 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.479 18.224 -6.100 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.014 18.911 -4.548 1.00 0.53 H new ATOM 441 N LYS A 118 10.027 21.505 -6.785 1.00 0.59 N ATOM 442 CA LYS A 118 11.416 21.580 -7.350 1.00 0.69 C ATOM 443 C LYS A 118 12.455 21.884 -6.250 1.00 0.64 C ATOM 444 O LYS A 118 13.637 21.660 -6.430 1.00 0.73 O ATOM 445 CB LYS A 118 11.359 22.720 -8.377 1.00 0.83 C ATOM 446 CG LYS A 118 11.200 24.066 -7.660 1.00 0.99 C ATOM 447 CD LYS A 118 10.152 24.914 -8.383 1.00 1.35 C ATOM 448 CE LYS A 118 10.646 26.358 -8.502 1.00 1.51 C ATOM 449 NZ LYS A 118 9.495 27.124 -9.066 1.00 1.99 N1+ ATOM 0 H LYS A 118 9.398 22.246 -7.096 1.00 0.59 H new ATOM 0 HA LYS A 118 11.723 20.634 -7.797 1.00 0.69 H new ATOM 0 HB2 LYS A 118 12.268 22.724 -8.978 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.525 22.563 -9.061 1.00 0.83 H new ATOM 0 HG2 LYS A 118 10.900 23.904 -6.625 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.155 24.592 -7.637 1.00 0.99 H new ATOM 0 HD2 LYS A 118 9.959 24.503 -9.374 1.00 1.35 H new ATOM 0 HD3 LYS A 118 9.209 24.886 -7.837 1.00 1.35 H new ATOM 0 HE2 LYS A 118 10.943 26.753 -7.531 1.00 1.51 H new ATOM 0 HE3 LYS A 118 11.518 26.423 -9.153 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 9.838 27.776 -9.800 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 8.809 26.463 -9.484 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 9.034 27.667 -8.308 1.00 1.99 H new ATOM 463 N ILE A 119 12.029 22.389 -5.119 1.00 0.68 N ATOM 464 CA ILE A 119 12.998 22.698 -4.022 1.00 0.74 C ATOM 465 C ILE A 119 13.294 21.432 -3.189 1.00 0.75 C ATOM 466 O ILE A 119 14.311 21.345 -2.527 1.00 0.85 O ATOM 467 CB ILE A 119 12.308 23.803 -3.193 1.00 0.98 C ATOM 468 CG1 ILE A 119 13.049 25.126 -3.410 1.00 1.22 C ATOM 469 CG2 ILE A 119 12.322 23.469 -1.699 1.00 1.08 C ATOM 470 CD1 ILE A 119 12.276 25.989 -4.407 1.00 1.06 C ATOM 0 H ILE A 119 11.054 22.600 -4.908 1.00 0.68 H new ATOM 0 HA ILE A 119 13.968 23.032 -4.390 1.00 0.74 H new ATOM 0 HB ILE A 119 11.271 23.880 -3.521 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.156 25.654 -2.463 1.00 1.22 H new ATOM 0 HG13 ILE A 119 14.055 24.934 -3.783 1.00 1.22 H new ATOM 0 HG21 ILE A 119 11.829 24.266 -1.143 1.00 1.08 H new ATOM 0 HG22 ILE A 119 11.795 22.530 -1.531 1.00 1.08 H new ATOM 0 HG23 ILE A 119 13.353 23.372 -1.357 1.00 1.08 H new ATOM 0 HD11 ILE A 119 12.805 26.930 -4.560 1.00 1.06 H new ATOM 0 HD12 ILE A 119 12.192 25.461 -5.357 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.279 26.192 -4.016 1.00 1.06 H new ATOM 482 N MET A 120 12.420 20.450 -3.218 1.00 0.85 N ATOM 483 CA MET A 120 12.664 19.200 -2.428 1.00 1.01 C ATOM 484 C MET A 120 13.613 18.242 -3.166 1.00 0.95 C ATOM 485 O MET A 120 14.527 17.695 -2.579 1.00 1.11 O ATOM 486 CB MET A 120 11.288 18.550 -2.266 1.00 1.17 C ATOM 487 CG MET A 120 11.327 17.574 -1.088 1.00 1.52 C ATOM 488 SD MET A 120 11.611 18.492 0.445 1.00 1.88 S ATOM 489 CE MET A 120 10.162 19.570 0.328 1.00 1.43 C ATOM 0 H MET A 120 11.552 20.461 -3.753 1.00 0.85 H new ATOM 0 HA MET A 120 13.136 19.427 -1.472 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.530 19.314 -2.095 1.00 1.17 H new ATOM 0 HB3 MET A 120 11.011 18.024 -3.180 1.00 1.17 H new ATOM 0 HG2 MET A 120 10.388 17.024 -1.026 1.00 1.52 H new ATOM 0 HG3 MET A 120 12.118 16.839 -1.237 1.00 1.52 H new ATOM 0 HE1 MET A 120 9.928 19.973 1.313 1.00 1.43 H new ATOM 0 HE2 MET A 120 10.373 20.390 -0.359 1.00 1.43 H new ATOM 0 HE3 MET A 120 9.311 18.997 -0.041 1.00 1.43 H new ATOM 499 N LEU A 121 13.396 18.024 -4.442 1.00 0.87 N ATOM 500 CA LEU A 121 14.281 17.084 -5.211 1.00 0.95 C ATOM 501 C LEU A 121 15.729 17.598 -5.268 1.00 0.87 C ATOM 502 O LEU A 121 16.646 16.836 -5.504 1.00 0.97 O ATOM 503 CB LEU A 121 13.667 17.009 -6.616 1.00 1.09 C ATOM 504 CG LEU A 121 12.973 15.653 -6.817 1.00 1.41 C ATOM 505 CD1 LEU A 121 14.022 14.542 -6.889 1.00 2.03 C ATOM 506 CD2 LEU A 121 12.015 15.375 -5.652 1.00 1.80 C ATOM 0 H LEU A 121 12.647 18.454 -4.985 1.00 0.87 H new ATOM 0 HA LEU A 121 14.332 16.104 -4.737 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.949 17.818 -6.751 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.444 17.144 -7.369 1.00 1.09 H new ATOM 0 HG LEU A 121 12.407 15.681 -7.748 1.00 1.41 H new ATOM 0 HD11 LEU A 121 13.526 13.582 -7.032 1.00 2.03 H new ATOM 0 HD12 LEU A 121 14.695 14.731 -7.726 1.00 2.03 H new ATOM 0 HD13 LEU A 121 14.594 14.521 -5.961 1.00 2.03 H new ATOM 0 HD21 LEU A 121 11.528 14.412 -5.803 1.00 1.80 H new ATOM 0 HD22 LEU A 121 12.575 15.355 -4.717 1.00 1.80 H new ATOM 0 HD23 LEU A 121 11.260 16.160 -5.606 1.00 1.80 H new ATOM 518 N GLN A 122 15.947 18.873 -5.038 1.00 0.82 N ATOM 519 CA GLN A 122 17.344 19.422 -5.065 1.00 0.95 C ATOM 520 C GLN A 122 18.258 18.652 -4.095 1.00 1.04 C ATOM 521 O GLN A 122 19.458 18.593 -4.284 1.00 1.19 O ATOM 522 CB GLN A 122 17.203 20.880 -4.615 1.00 1.14 C ATOM 523 CG GLN A 122 17.669 21.812 -5.735 1.00 1.42 C ATOM 524 CD GLN A 122 16.904 23.136 -5.651 1.00 1.85 C ATOM 525 OE1 GLN A 122 17.139 23.934 -4.766 1.00 2.44 O ATOM 526 NE2 GLN A 122 15.987 23.403 -6.539 1.00 2.28 N ATOM 0 H GLN A 122 15.219 19.557 -4.833 1.00 0.82 H new ATOM 0 HA GLN A 122 17.794 19.332 -6.054 1.00 0.95 H new ATOM 0 HB2 GLN A 122 16.165 21.093 -4.360 1.00 1.14 H new ATOM 0 HB3 GLN A 122 17.794 21.052 -3.716 1.00 1.14 H new ATOM 0 HG2 GLN A 122 18.740 21.993 -5.649 1.00 1.42 H new ATOM 0 HG3 GLN A 122 17.501 21.344 -6.705 1.00 1.42 H new ATOM 0 HE21 GLN A 122 15.788 22.735 -7.283 1.00 2.28 H new ATOM 0 HE22 GLN A 122 15.469 24.280 -6.489 1.00 2.28 H new ATOM 535 N ALA A 123 17.700 18.069 -3.059 1.00 1.09 N ATOM 536 CA ALA A 123 18.534 17.311 -2.073 1.00 1.33 C ATOM 537 C ALA A 123 18.908 15.914 -2.605 1.00 1.38 C ATOM 538 O ALA A 123 20.000 15.435 -2.364 1.00 1.62 O ATOM 539 CB ALA A 123 17.653 17.197 -0.825 1.00 1.45 C ATOM 0 H ALA A 123 16.701 18.086 -2.854 1.00 1.09 H new ATOM 0 HA ALA A 123 19.479 17.816 -1.872 1.00 1.33 H new ATOM 0 HB1 ALA A 123 18.190 16.652 -0.049 1.00 1.45 H new ATOM 0 HB2 ALA A 123 17.405 18.195 -0.463 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.736 16.663 -1.074 1.00 1.45 H new ATOM 545 N THR A 124 18.020 15.250 -3.311 1.00 1.29 N ATOM 546 CA THR A 124 18.350 13.878 -3.832 1.00 1.47 C ATOM 547 C THR A 124 18.794 13.910 -5.308 1.00 1.44 C ATOM 548 O THR A 124 19.500 13.026 -5.757 1.00 1.72 O ATOM 549 CB THR A 124 17.069 13.046 -3.653 1.00 1.56 C ATOM 550 OG1 THR A 124 17.393 11.666 -3.753 1.00 2.16 O ATOM 551 CG2 THR A 124 16.035 13.404 -4.727 1.00 1.92 C ATOM 0 H THR A 124 17.089 15.593 -3.548 1.00 1.29 H new ATOM 0 HA THR A 124 19.191 13.447 -3.288 1.00 1.47 H new ATOM 0 HB THR A 124 16.642 13.263 -2.674 1.00 1.56 H new ATOM 0 HG1 THR A 124 16.581 11.130 -3.638 1.00 2.16 H new ATOM 0 HG21 THR A 124 15.137 12.804 -4.582 1.00 1.92 H new ATOM 0 HG22 THR A 124 15.781 14.461 -4.650 1.00 1.92 H new ATOM 0 HG23 THR A 124 16.451 13.202 -5.714 1.00 1.92 H new ATOM 559 N GLY A 125 18.398 14.908 -6.066 1.00 1.26 N ATOM 560 CA GLY A 125 18.817 14.963 -7.502 1.00 1.32 C ATOM 561 C GLY A 125 17.900 15.896 -8.299 1.00 1.26 C ATOM 562 O GLY A 125 16.875 15.484 -8.810 1.00 1.63 O ATOM 0 H GLY A 125 17.808 15.679 -5.754 1.00 1.26 H new ATOM 0 HA2 GLY A 125 19.848 15.311 -7.572 1.00 1.32 H new ATOM 0 HA3 GLY A 125 18.789 13.962 -7.933 1.00 1.32 H new ATOM 566 N GLU A 126 18.277 17.145 -8.428 1.00 1.02 N ATOM 567 CA GLU A 126 17.449 18.109 -9.215 1.00 1.08 C ATOM 568 C GLU A 126 18.311 18.744 -10.314 1.00 0.89 C ATOM 569 O GLU A 126 18.824 19.839 -10.167 1.00 0.87 O ATOM 570 CB GLU A 126 16.970 19.165 -8.213 1.00 1.34 C ATOM 571 CG GLU A 126 15.936 20.080 -8.881 1.00 1.45 C ATOM 572 CD GLU A 126 14.619 19.324 -9.073 1.00 1.61 C ATOM 573 OE1 GLU A 126 14.523 18.573 -10.029 1.00 2.09 O ATOM 574 OE2 GLU A 126 13.730 19.508 -8.262 1.00 2.16 O ATOM 0 H GLU A 126 19.125 17.538 -8.020 1.00 1.02 H new ATOM 0 HA GLU A 126 16.603 17.626 -9.704 1.00 1.08 H new ATOM 0 HB2 GLU A 126 16.531 18.680 -7.341 1.00 1.34 H new ATOM 0 HB3 GLU A 126 17.816 19.754 -7.858 1.00 1.34 H new ATOM 0 HG2 GLU A 126 15.771 20.966 -8.267 1.00 1.45 H new ATOM 0 HG3 GLU A 126 16.311 20.425 -9.844 1.00 1.45 H new ATOM 581 N THR A 127 18.477 18.052 -11.410 1.00 1.09 N ATOM 582 CA THR A 127 19.309 18.592 -12.533 1.00 1.21 C ATOM 583 C THR A 127 18.427 18.824 -13.772 1.00 1.29 C ATOM 584 O THR A 127 18.704 18.332 -14.851 1.00 1.60 O ATOM 585 CB THR A 127 20.383 17.516 -12.789 1.00 1.57 C ATOM 586 OG1 THR A 127 21.146 17.862 -13.939 1.00 1.91 O ATOM 587 CG2 THR A 127 19.727 16.144 -12.998 1.00 2.18 C ATOM 0 H THR A 127 18.072 17.132 -11.579 1.00 1.09 H new ATOM 0 HA THR A 127 19.766 19.553 -12.298 1.00 1.21 H new ATOM 0 HB THR A 127 21.039 17.463 -11.920 1.00 1.57 H new ATOM 0 HG1 THR A 127 20.547 17.976 -14.707 1.00 1.91 H new ATOM 0 HG21 THR A 127 20.499 15.395 -13.178 1.00 2.18 H new ATOM 0 HG22 THR A 127 19.159 15.873 -12.108 1.00 2.18 H new ATOM 0 HG23 THR A 127 19.057 16.188 -13.857 1.00 2.18 H new ATOM 595 N ILE A 128 17.360 19.573 -13.614 1.00 1.08 N ATOM 596 CA ILE A 128 16.437 19.849 -14.763 1.00 1.20 C ATOM 597 C ILE A 128 15.882 21.283 -14.667 1.00 1.18 C ATOM 598 O ILE A 128 16.335 22.078 -13.864 1.00 1.15 O ATOM 599 CB ILE A 128 15.301 18.818 -14.622 1.00 1.12 C ATOM 600 CG1 ILE A 128 14.745 18.841 -13.188 1.00 1.32 C ATOM 601 CG2 ILE A 128 15.835 17.417 -14.938 1.00 1.62 C ATOM 602 CD1 ILE A 128 13.440 18.038 -13.115 1.00 2.03 C ATOM 0 H ILE A 128 17.087 20.008 -12.733 1.00 1.08 H new ATOM 0 HA ILE A 128 16.941 19.768 -15.726 1.00 1.20 H new ATOM 0 HB ILE A 128 14.504 19.071 -15.321 1.00 1.12 H new ATOM 0 HG12 ILE A 128 15.478 18.422 -12.499 1.00 1.32 H new ATOM 0 HG13 ILE A 128 14.566 19.870 -12.876 1.00 1.32 H new ATOM 0 HG21 ILE A 128 15.030 16.689 -14.838 1.00 1.62 H new ATOM 0 HG22 ILE A 128 16.218 17.395 -15.958 1.00 1.62 H new ATOM 0 HG23 ILE A 128 16.637 17.168 -14.243 1.00 1.62 H new ATOM 0 HD11 ILE A 128 13.055 18.061 -12.095 1.00 2.03 H new ATOM 0 HD12 ILE A 128 12.705 18.476 -13.790 1.00 2.03 H new ATOM 0 HD13 ILE A 128 13.631 17.006 -13.407 1.00 2.03 H new ATOM 614 N THR A 129 14.898 21.614 -15.471 1.00 1.34 N ATOM 615 CA THR A 129 14.304 22.990 -15.414 1.00 1.42 C ATOM 616 C THR A 129 12.899 22.930 -14.789 1.00 1.16 C ATOM 617 O THR A 129 12.440 21.879 -14.383 1.00 0.97 O ATOM 618 CB THR A 129 14.245 23.470 -16.874 1.00 1.64 C ATOM 619 OG1 THR A 129 14.047 24.878 -16.899 1.00 2.23 O ATOM 620 CG2 THR A 129 13.096 22.788 -17.621 1.00 2.28 C ATOM 0 H THR A 129 14.481 20.992 -16.163 1.00 1.34 H new ATOM 0 HA THR A 129 14.892 23.672 -14.799 1.00 1.42 H new ATOM 0 HB THR A 129 15.184 23.213 -17.364 1.00 1.64 H new ATOM 0 HG1 THR A 129 14.011 25.187 -17.828 1.00 2.23 H new ATOM 0 HG21 THR A 129 13.072 23.141 -18.652 1.00 2.28 H new ATOM 0 HG22 THR A 129 13.246 21.708 -17.611 1.00 2.28 H new ATOM 0 HG23 THR A 129 12.151 23.028 -17.133 1.00 2.28 H new ATOM 628 N GLU A 130 12.213 24.045 -14.708 1.00 1.31 N ATOM 629 CA GLU A 130 10.838 24.047 -14.108 1.00 1.28 C ATOM 630 C GLU A 130 9.889 23.166 -14.934 1.00 1.16 C ATOM 631 O GLU A 130 9.108 22.407 -14.391 1.00 1.21 O ATOM 632 CB GLU A 130 10.384 25.507 -14.150 1.00 1.69 C ATOM 633 CG GLU A 130 8.950 25.615 -13.626 1.00 2.05 C ATOM 634 CD GLU A 130 8.958 26.135 -12.187 1.00 2.43 C ATOM 635 OE1 GLU A 130 9.028 27.340 -12.010 1.00 3.03 O ATOM 636 OE2 GLU A 130 8.895 25.318 -11.283 1.00 2.70 O ATOM 0 H GLU A 130 12.544 24.954 -15.031 1.00 1.31 H new ATOM 0 HA GLU A 130 10.836 23.648 -13.094 1.00 1.28 H new ATOM 0 HB2 GLU A 130 11.050 26.123 -13.546 1.00 1.69 H new ATOM 0 HB3 GLU A 130 10.438 25.886 -15.171 1.00 1.69 H new ATOM 0 HG2 GLU A 130 8.371 26.286 -14.261 1.00 2.05 H new ATOM 0 HG3 GLU A 130 8.465 24.640 -13.667 1.00 2.05 H new ATOM 643 N ASP A 131 9.961 23.260 -16.241 1.00 1.18 N ATOM 644 CA ASP A 131 9.075 22.426 -17.116 1.00 1.19 C ATOM 645 C ASP A 131 9.254 20.934 -16.794 1.00 1.07 C ATOM 646 O ASP A 131 8.343 20.141 -16.954 1.00 1.14 O ATOM 647 CB ASP A 131 9.543 22.727 -18.544 1.00 1.44 C ATOM 648 CG ASP A 131 8.596 22.063 -19.545 1.00 1.48 C ATOM 649 OD1 ASP A 131 7.497 22.562 -19.709 1.00 2.07 O ATOM 650 OD2 ASP A 131 8.990 21.069 -20.131 1.00 1.91 O ATOM 0 H ASP A 131 10.597 23.881 -16.741 1.00 1.18 H new ATOM 0 HA ASP A 131 8.019 22.653 -16.972 1.00 1.19 H new ATOM 0 HB2 ASP A 131 9.567 23.804 -18.710 1.00 1.44 H new ATOM 0 HB3 ASP A 131 10.559 22.359 -18.690 1.00 1.44 H new ATOM 655 N ASP A 132 10.419 20.554 -16.332 1.00 1.00 N ATOM 656 CA ASP A 132 10.666 19.119 -15.988 1.00 1.03 C ATOM 657 C ASP A 132 10.024 18.773 -14.635 1.00 0.88 C ATOM 658 O ASP A 132 9.580 17.662 -14.422 1.00 1.03 O ATOM 659 CB ASP A 132 12.190 18.977 -15.919 1.00 1.13 C ATOM 660 CG ASP A 132 12.784 19.023 -17.329 1.00 1.39 C ATOM 661 OD1 ASP A 132 12.367 18.229 -18.157 1.00 1.99 O ATOM 662 OD2 ASP A 132 13.652 19.848 -17.557 1.00 1.79 O ATOM 0 H ASP A 132 11.212 21.177 -16.178 1.00 1.00 H new ATOM 0 HA ASP A 132 10.231 18.441 -16.723 1.00 1.03 H new ATOM 0 HB2 ASP A 132 12.611 19.778 -15.312 1.00 1.13 H new ATOM 0 HB3 ASP A 132 12.454 18.037 -15.434 1.00 1.13 H new ATOM 667 N ILE A 133 9.956 19.722 -13.730 1.00 0.75 N ATOM 668 CA ILE A 133 9.323 19.460 -12.393 1.00 0.77 C ATOM 669 C ILE A 133 7.852 19.066 -12.585 1.00 0.70 C ATOM 670 O ILE A 133 7.306 18.275 -11.840 1.00 0.82 O ATOM 671 CB ILE A 133 9.421 20.791 -11.630 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.891 21.231 -11.521 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.830 20.625 -10.227 1.00 1.06 C ATOM 674 CD1 ILE A 133 11.696 20.202 -10.721 1.00 1.00 C ATOM 0 H ILE A 133 10.312 20.669 -13.859 1.00 0.75 H new ATOM 0 HA ILE A 133 9.813 18.648 -11.856 1.00 0.77 H new ATOM 0 HB ILE A 133 8.861 21.552 -12.173 1.00 0.87 H new ATOM 0 HG12 ILE A 133 11.319 21.343 -12.517 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.951 22.206 -11.037 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.901 21.570 -9.688 1.00 1.06 H new ATOM 0 HG22 ILE A 133 7.784 20.329 -10.306 1.00 1.06 H new ATOM 0 HG23 ILE A 133 9.384 19.857 -9.687 1.00 1.06 H new ATOM 0 HD11 ILE A 133 12.734 20.526 -10.652 1.00 1.00 H new ATOM 0 HD12 ILE A 133 11.277 20.111 -9.719 1.00 1.00 H new ATOM 0 HD13 ILE A 133 11.651 19.235 -11.222 1.00 1.00 H new ATOM 686 N GLU A 134 7.216 19.623 -13.587 1.00 0.61 N ATOM 687 CA GLU A 134 5.780 19.308 -13.859 1.00 0.64 C ATOM 688 C GLU A 134 5.565 17.808 -14.128 1.00 0.64 C ATOM 689 O GLU A 134 4.469 17.309 -13.966 1.00 0.76 O ATOM 690 CB GLU A 134 5.428 20.131 -15.101 1.00 0.73 C ATOM 691 CG GLU A 134 4.865 21.488 -14.668 1.00 0.89 C ATOM 692 CD GLU A 134 3.353 21.375 -14.455 1.00 1.21 C ATOM 693 OE1 GLU A 134 2.622 21.578 -15.410 1.00 1.87 O ATOM 694 OE2 GLU A 134 2.953 21.083 -13.341 1.00 1.86 O ATOM 0 H GLU A 134 7.636 20.290 -14.235 1.00 0.61 H new ATOM 0 HA GLU A 134 5.151 19.549 -13.002 1.00 0.64 H new ATOM 0 HB2 GLU A 134 6.314 20.273 -15.720 1.00 0.73 H new ATOM 0 HB3 GLU A 134 4.697 19.598 -15.709 1.00 0.73 H new ATOM 0 HG2 GLU A 134 5.348 21.816 -13.748 1.00 0.89 H new ATOM 0 HG3 GLU A 134 5.080 22.241 -15.427 1.00 0.89 H new ATOM 701 N GLU A 135 6.592 17.085 -14.533 1.00 0.59 N ATOM 702 CA GLU A 135 6.429 15.619 -14.808 1.00 0.67 C ATOM 703 C GLU A 135 5.758 14.927 -13.613 1.00 0.74 C ATOM 704 O GLU A 135 4.701 14.339 -13.745 1.00 0.91 O ATOM 705 CB GLU A 135 7.849 15.081 -15.024 1.00 0.72 C ATOM 706 CG GLU A 135 7.824 14.001 -16.110 1.00 1.16 C ATOM 707 CD GLU A 135 7.326 12.680 -15.517 1.00 1.56 C ATOM 708 OE1 GLU A 135 8.134 11.963 -14.950 1.00 2.03 O ATOM 709 OE2 GLU A 135 6.145 12.406 -15.644 1.00 2.29 O ATOM 0 H GLU A 135 7.533 17.449 -14.684 1.00 0.59 H new ATOM 0 HA GLU A 135 5.797 15.433 -15.676 1.00 0.67 H new ATOM 0 HB2 GLU A 135 8.516 15.892 -15.317 1.00 0.72 H new ATOM 0 HB3 GLU A 135 8.239 14.668 -14.094 1.00 0.72 H new ATOM 0 HG2 GLU A 135 7.174 14.311 -16.929 1.00 1.16 H new ATOM 0 HG3 GLU A 135 8.822 13.869 -16.528 1.00 1.16 H new ATOM 716 N LEU A 136 6.352 15.008 -12.445 1.00 0.73 N ATOM 717 CA LEU A 136 5.727 14.366 -11.245 1.00 0.87 C ATOM 718 C LEU A 136 4.503 15.181 -10.800 1.00 0.81 C ATOM 719 O LEU A 136 3.562 14.640 -10.250 1.00 1.00 O ATOM 720 CB LEU A 136 6.807 14.364 -10.146 1.00 0.99 C ATOM 721 CG LEU A 136 7.960 13.387 -10.476 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.209 12.464 -9.277 1.00 1.74 C ATOM 723 CD2 LEU A 136 7.629 12.527 -11.704 1.00 1.75 C ATOM 0 H LEU A 136 7.236 15.487 -12.272 1.00 0.73 H new ATOM 0 HA LEU A 136 5.387 13.353 -11.458 1.00 0.87 H new ATOM 0 HB2 LEU A 136 7.207 15.371 -10.027 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.356 14.086 -9.194 1.00 0.99 H new ATOM 0 HG LEU A 136 8.850 13.978 -10.694 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.021 11.776 -9.510 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.479 13.063 -8.407 1.00 1.74 H new ATOM 0 HD13 LEU A 136 7.304 11.897 -9.060 1.00 1.74 H new ATOM 0 HD21 LEU A 136 8.459 11.851 -11.909 1.00 1.75 H new ATOM 0 HD22 LEU A 136 6.728 11.946 -11.509 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.465 13.173 -12.567 1.00 1.75 H new ATOM 735 N MET A 137 4.505 16.479 -11.036 1.00 0.67 N ATOM 736 CA MET A 137 3.338 17.329 -10.629 1.00 0.71 C ATOM 737 C MET A 137 2.037 16.853 -11.293 1.00 0.68 C ATOM 738 O MET A 137 0.969 17.053 -10.757 1.00 0.70 O ATOM 739 CB MET A 137 3.678 18.752 -11.082 1.00 0.82 C ATOM 740 CG MET A 137 3.409 19.725 -9.931 1.00 0.99 C ATOM 741 SD MET A 137 1.717 20.360 -10.043 1.00 0.94 S ATOM 742 CE MET A 137 1.429 20.575 -8.266 1.00 0.53 C ATOM 0 H MET A 137 5.265 16.982 -11.493 1.00 0.67 H new ATOM 0 HA MET A 137 3.173 17.272 -9.553 1.00 0.71 H new ATOM 0 HB2 MET A 137 4.723 18.810 -11.386 1.00 0.82 H new ATOM 0 HB3 MET A 137 3.078 19.023 -11.951 1.00 0.82 H new ATOM 0 HG2 MET A 137 3.555 19.221 -8.976 1.00 0.99 H new ATOM 0 HG3 MET A 137 4.120 20.551 -9.968 1.00 0.99 H new ATOM 0 HE1 MET A 137 0.387 20.846 -8.096 1.00 0.53 H new ATOM 0 HE2 MET A 137 1.651 19.643 -7.746 1.00 0.53 H new ATOM 0 HE3 MET A 137 2.076 21.365 -7.886 1.00 0.53 H new ATOM 752 N LYS A 138 2.102 16.223 -12.445 1.00 0.76 N ATOM 753 CA LYS A 138 0.838 15.744 -13.092 1.00 0.82 C ATOM 754 C LYS A 138 0.284 14.554 -12.307 1.00 0.72 C ATOM 755 O LYS A 138 -0.876 14.532 -11.946 1.00 0.84 O ATOM 756 CB LYS A 138 1.211 15.327 -14.517 1.00 0.99 C ATOM 757 CG LYS A 138 1.664 16.552 -15.327 1.00 1.57 C ATOM 758 CD LYS A 138 0.635 17.684 -15.193 1.00 2.09 C ATOM 759 CE LYS A 138 1.063 18.636 -14.068 1.00 2.74 C ATOM 760 NZ LYS A 138 0.508 19.966 -14.443 1.00 3.43 N1+ ATOM 0 H LYS A 138 2.961 16.023 -12.957 1.00 0.76 H new ATOM 0 HA LYS A 138 0.070 16.518 -13.107 1.00 0.82 H new ATOM 0 HB2 LYS A 138 2.009 14.585 -14.489 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.355 14.857 -15.002 1.00 0.99 H new ATOM 0 HG2 LYS A 138 2.638 16.891 -14.974 1.00 1.57 H new ATOM 0 HG3 LYS A 138 1.783 16.280 -16.376 1.00 1.57 H new ATOM 0 HD2 LYS A 138 0.554 18.229 -16.133 1.00 2.09 H new ATOM 0 HD3 LYS A 138 -0.350 17.270 -14.978 1.00 2.09 H new ATOM 0 HE2 LYS A 138 0.674 18.306 -13.105 1.00 2.74 H new ATOM 0 HE3 LYS A 138 2.149 18.675 -13.978 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 0.473 20.577 -13.602 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 1.115 20.404 -15.165 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 -0.452 19.847 -14.824 1.00 3.43 H new ATOM 774 N ASP A 139 1.110 13.576 -12.017 1.00 0.75 N ATOM 775 CA ASP A 139 0.626 12.406 -11.226 1.00 0.78 C ATOM 776 C ASP A 139 0.260 12.874 -9.807 1.00 0.70 C ATOM 777 O ASP A 139 -0.658 12.361 -9.194 1.00 0.81 O ATOM 778 CB ASP A 139 1.792 11.410 -11.209 1.00 0.97 C ATOM 779 CG ASP A 139 1.269 10.009 -10.875 1.00 1.16 C ATOM 780 OD1 ASP A 139 0.537 9.458 -11.684 1.00 1.66 O ATOM 781 OD2 ASP A 139 1.608 9.509 -9.818 1.00 1.69 O ATOM 0 H ASP A 139 2.091 13.540 -12.293 1.00 0.75 H new ATOM 0 HA ASP A 139 -0.265 11.944 -11.651 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.290 11.401 -12.179 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.534 11.717 -10.472 1.00 0.97 H new ATOM 786 N GLY A 140 0.954 13.870 -9.299 1.00 0.64 N ATOM 787 CA GLY A 140 0.632 14.404 -7.942 1.00 0.62 C ATOM 788 C GLY A 140 -0.636 15.249 -8.047 1.00 0.57 C ATOM 789 O GLY A 140 -1.631 14.975 -7.405 1.00 0.65 O ATOM 0 H GLY A 140 1.730 14.334 -9.771 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.486 13.586 -7.237 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.459 15.006 -7.565 1.00 0.62 H new ATOM 793 N ASP A 141 -0.607 16.269 -8.866 1.00 0.56 N ATOM 794 CA ASP A 141 -1.807 17.136 -9.037 1.00 0.56 C ATOM 795 C ASP A 141 -2.513 16.811 -10.358 1.00 0.58 C ATOM 796 O ASP A 141 -2.406 17.541 -11.328 1.00 0.64 O ATOM 797 CB ASP A 141 -1.272 18.573 -9.043 1.00 0.60 C ATOM 798 CG ASP A 141 -2.272 19.487 -8.340 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.381 19.611 -8.831 1.00 1.14 O ATOM 800 OD2 ASP A 141 -1.917 20.038 -7.316 1.00 1.23 O ATOM 0 H ASP A 141 0.202 16.538 -9.426 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.539 16.985 -8.244 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.306 18.616 -8.539 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.112 18.909 -10.067 1.00 0.60 H new ATOM 805 N LYS A 142 -3.249 15.729 -10.402 1.00 0.62 N ATOM 806 CA LYS A 142 -3.974 15.375 -11.661 1.00 0.70 C ATOM 807 C LYS A 142 -5.060 16.424 -11.948 1.00 0.79 C ATOM 808 O LYS A 142 -5.428 16.647 -13.084 1.00 0.92 O ATOM 809 CB LYS A 142 -4.584 13.996 -11.411 1.00 0.79 C ATOM 810 CG LYS A 142 -3.677 12.924 -12.022 1.00 0.88 C ATOM 811 CD LYS A 142 -3.413 11.827 -10.986 1.00 1.37 C ATOM 812 CE LYS A 142 -2.274 10.924 -11.471 1.00 1.79 C ATOM 813 NZ LYS A 142 -2.887 9.576 -11.634 1.00 2.44 N1+ ATOM 0 H LYS A 142 -3.379 15.079 -9.627 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.316 15.357 -12.529 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.699 13.825 -10.341 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.580 13.941 -11.851 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -4.147 12.497 -12.908 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -2.736 13.369 -12.344 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -3.153 12.274 -10.027 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -4.316 11.237 -10.828 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -1.859 11.284 -12.412 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -1.456 10.900 -10.751 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -2.405 9.066 -12.401 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -2.789 9.041 -10.748 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -3.895 9.679 -11.867 1.00 2.44 H new ATOM 827 N ASN A 143 -5.552 17.091 -10.927 1.00 0.80 N ATOM 828 CA ASN A 143 -6.588 18.152 -11.141 1.00 0.95 C ATOM 829 C ASN A 143 -5.929 19.413 -11.726 1.00 0.92 C ATOM 830 O ASN A 143 -6.587 20.239 -12.328 1.00 1.08 O ATOM 831 CB ASN A 143 -7.158 18.468 -9.754 1.00 1.07 C ATOM 832 CG ASN A 143 -7.675 17.193 -9.089 1.00 1.36 C ATOM 833 OD1 ASN A 143 -7.344 16.942 -7.853 1.00 1.95 O flip ATOM 834 ND2 ASN A 143 -8.381 16.417 -9.698 1.00 1.70 N flip ATOM 0 H ASN A 143 -5.279 16.945 -9.955 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.363 17.823 -11.833 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -6.388 18.924 -9.132 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -7.967 19.194 -9.842 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -8.640 16.614 -10.665 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -8.716 15.568 -9.243 1.00 1.70 H new ATOM 841 N ASN A 144 -4.631 19.559 -11.539 1.00 0.86 N ATOM 842 CA ASN A 144 -3.895 20.756 -12.064 1.00 0.93 C ATOM 843 C ASN A 144 -4.440 22.053 -11.444 1.00 1.03 C ATOM 844 O ASN A 144 -4.587 23.057 -12.116 1.00 1.71 O ATOM 845 CB ASN A 144 -4.101 20.737 -13.585 1.00 1.08 C ATOM 846 CG ASN A 144 -3.163 19.709 -14.219 1.00 1.49 C ATOM 847 OD1 ASN A 144 -2.126 20.060 -14.743 1.00 2.18 O ATOM 848 ND2 ASN A 144 -3.481 18.446 -14.198 1.00 1.97 N ATOM 0 H ASN A 144 -4.047 18.889 -11.038 1.00 0.86 H new ATOM 0 HA ASN A 144 -2.836 20.720 -11.807 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -5.137 20.491 -13.818 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -3.907 21.726 -14.000 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -2.860 17.757 -14.621 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -4.351 18.146 -13.759 1.00 1.97 H new ATOM 855 N ASP A 145 -4.720 22.045 -10.161 1.00 0.88 N ATOM 856 CA ASP A 145 -5.235 23.292 -9.499 1.00 0.92 C ATOM 857 C ASP A 145 -4.067 24.166 -9.009 1.00 0.91 C ATOM 858 O ASP A 145 -4.231 25.352 -8.785 1.00 1.07 O ATOM 859 CB ASP A 145 -6.128 22.851 -8.319 1.00 0.93 C ATOM 860 CG ASP A 145 -5.523 21.659 -7.568 1.00 1.40 C ATOM 861 OD1 ASP A 145 -4.493 21.830 -6.942 1.00 2.06 O ATOM 862 OD2 ASP A 145 -6.110 20.594 -7.627 1.00 1.89 O ATOM 0 H ASP A 145 -4.616 21.237 -9.547 1.00 0.88 H new ATOM 0 HA ASP A 145 -5.810 23.893 -10.204 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -6.261 23.686 -7.631 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.117 22.584 -8.691 1.00 0.93 H new ATOM 867 N GLY A 146 -2.888 23.603 -8.854 1.00 0.84 N ATOM 868 CA GLY A 146 -1.721 24.421 -8.399 1.00 0.92 C ATOM 869 C GLY A 146 -1.271 24.022 -6.985 1.00 0.66 C ATOM 870 O GLY A 146 -0.180 24.364 -6.571 1.00 0.74 O ATOM 0 H GLY A 146 -2.687 22.617 -9.023 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -0.892 24.293 -9.095 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -1.989 25.478 -8.412 1.00 0.92 H new ATOM 874 N ARG A 147 -2.085 23.308 -6.240 1.00 0.56 N ATOM 875 CA ARG A 147 -1.670 22.905 -4.854 1.00 0.54 C ATOM 876 C ARG A 147 -1.888 21.404 -4.635 1.00 0.46 C ATOM 877 O ARG A 147 -2.958 20.870 -4.873 1.00 0.45 O ATOM 878 CB ARG A 147 -2.538 23.726 -3.885 1.00 0.77 C ATOM 879 CG ARG A 147 -3.993 23.781 -4.370 1.00 1.39 C ATOM 880 CD ARG A 147 -4.745 24.885 -3.617 1.00 1.79 C ATOM 881 NE ARG A 147 -4.046 26.164 -3.965 1.00 2.55 N ATOM 882 CZ ARG A 147 -3.701 26.418 -5.198 1.00 2.87 C ATOM 883 NH1 ARG A 147 -4.604 26.444 -6.138 1.00 3.37 N1+ ATOM 884 NH2 ARG A 147 -2.450 26.636 -5.492 1.00 3.10 N ATOM 0 H ARG A 147 -3.010 22.989 -6.527 1.00 0.56 H new ATOM 0 HA ARG A 147 -0.609 23.096 -4.692 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -2.498 23.283 -2.890 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -2.140 24.737 -3.800 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -4.022 23.973 -5.442 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -4.478 22.819 -4.205 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -5.793 24.918 -3.915 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -4.725 24.708 -2.542 1.00 1.79 H new ATOM 0 HE ARG A 147 -3.838 26.842 -3.232 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -5.582 26.266 -5.911 1.00 3.37 H new ATOM 0 HH12 ARG A 147 -4.332 26.643 -7.101 1.00 3.37 H new ATOM 0 HH21 ARG A 147 -1.741 26.608 -4.759 1.00 3.10 H new ATOM 0 HH22 ARG A 147 -2.180 26.835 -6.455 1.00 3.10 H new ATOM 898 N ILE A 148 -0.871 20.725 -4.177 1.00 0.49 N ATOM 899 CA ILE A 148 -0.986 19.258 -3.939 1.00 0.44 C ATOM 900 C ILE A 148 -1.496 18.985 -2.517 1.00 0.46 C ATOM 901 O ILE A 148 -0.935 19.452 -1.543 1.00 0.63 O ATOM 902 CB ILE A 148 0.437 18.721 -4.151 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.768 18.751 -5.644 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.541 17.284 -3.651 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.169 18.179 -5.874 1.00 0.63 C ATOM 0 H ILE A 148 0.040 21.127 -3.956 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.699 18.773 -4.606 1.00 0.44 H new ATOM 0 HB ILE A 148 1.137 19.345 -3.595 1.00 0.46 H new ATOM 0 HG12 ILE A 148 0.032 18.171 -6.201 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.717 19.774 -6.017 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.555 16.917 -3.808 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.303 17.251 -2.588 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.161 16.656 -4.200 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.401 18.202 -6.939 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.900 18.777 -5.330 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.205 17.150 -5.517 1.00 0.63 H new ATOM 917 N ASP A 149 -2.563 18.234 -2.401 1.00 0.48 N ATOM 918 CA ASP A 149 -3.132 17.925 -1.052 1.00 0.53 C ATOM 919 C ASP A 149 -2.742 16.502 -0.617 1.00 0.53 C ATOM 920 O ASP A 149 -1.999 15.816 -1.296 1.00 0.63 O ATOM 921 CB ASP A 149 -4.651 18.045 -1.229 1.00 0.58 C ATOM 922 CG ASP A 149 -5.308 18.575 0.052 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.755 18.373 1.123 1.00 1.84 O ATOM 924 OD2 ASP A 149 -6.364 19.172 -0.062 1.00 1.65 O ATOM 0 H ASP A 149 -3.067 17.820 -3.185 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.757 18.598 -0.281 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.873 18.714 -2.061 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -5.070 17.071 -1.482 1.00 0.58 H new ATOM 929 N TYR A 150 -3.233 16.062 0.516 1.00 0.58 N ATOM 930 CA TYR A 150 -2.888 14.692 1.015 1.00 0.60 C ATOM 931 C TYR A 150 -3.629 13.597 0.226 1.00 0.59 C ATOM 932 O TYR A 150 -3.070 12.550 -0.046 1.00 0.63 O ATOM 933 CB TYR A 150 -3.320 14.685 2.485 1.00 0.73 C ATOM 934 CG TYR A 150 -2.369 13.827 3.284 1.00 0.72 C ATOM 935 CD1 TYR A 150 -2.623 12.461 3.434 1.00 1.15 C ATOM 936 CD2 TYR A 150 -1.232 14.396 3.871 1.00 1.22 C ATOM 937 CE1 TYR A 150 -1.742 11.661 4.170 1.00 1.43 C ATOM 938 CE2 TYR A 150 -0.349 13.596 4.607 1.00 1.56 C ATOM 939 CZ TYR A 150 -0.603 12.228 4.757 1.00 1.48 C ATOM 940 OH TYR A 150 0.274 11.442 5.478 1.00 1.96 O ATOM 0 H TYR A 150 -3.860 16.594 1.119 1.00 0.58 H new ATOM 0 HA TYR A 150 -1.826 14.480 0.893 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -3.327 15.702 2.878 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -4.336 14.301 2.575 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -3.500 12.022 2.981 1.00 1.15 H new ATOM 0 HD2 TYR A 150 -1.036 15.452 3.756 1.00 1.22 H new ATOM 0 HE1 TYR A 150 -1.940 10.606 4.286 1.00 1.43 H new ATOM 0 HE2 TYR A 150 0.528 14.035 5.059 1.00 1.56 H new ATOM 0 HH TYR A 150 -0.184 10.628 5.775 1.00 1.96 H new ATOM 950 N ASP A 151 -4.872 13.817 -0.137 1.00 0.64 N ATOM 951 CA ASP A 151 -5.628 12.766 -0.898 1.00 0.70 C ATOM 952 C ASP A 151 -4.922 12.428 -2.224 1.00 0.63 C ATOM 953 O ASP A 151 -4.842 11.277 -2.609 1.00 0.77 O ATOM 954 CB ASP A 151 -7.032 13.350 -1.141 1.00 0.79 C ATOM 955 CG ASP A 151 -6.984 14.469 -2.188 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.643 15.580 -1.824 1.00 1.83 O ATOM 957 OD2 ASP A 151 -7.296 14.194 -3.335 1.00 1.90 O ATOM 0 H ASP A 151 -5.393 14.672 0.058 1.00 0.64 H new ATOM 0 HA ASP A 151 -5.683 11.831 -0.341 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -7.706 12.561 -1.476 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -7.436 13.738 -0.206 1.00 0.79 H new ATOM 962 N GLU A 152 -4.400 13.414 -2.916 1.00 0.54 N ATOM 963 CA GLU A 152 -3.694 13.133 -4.204 1.00 0.56 C ATOM 964 C GLU A 152 -2.299 12.549 -3.932 1.00 0.52 C ATOM 965 O GLU A 152 -1.760 11.811 -4.736 1.00 0.65 O ATOM 966 CB GLU A 152 -3.582 14.487 -4.908 1.00 0.60 C ATOM 967 CG GLU A 152 -4.597 14.554 -6.054 1.00 0.77 C ATOM 968 CD GLU A 152 -4.894 16.015 -6.393 1.00 0.72 C ATOM 969 OE1 GLU A 152 -5.429 16.707 -5.542 1.00 1.40 O ATOM 970 OE2 GLU A 152 -4.578 16.426 -7.497 1.00 1.17 O ATOM 0 H GLU A 152 -4.433 14.397 -2.645 1.00 0.54 H new ATOM 0 HA GLU A 152 -4.230 12.404 -4.812 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.765 15.294 -4.198 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.572 14.625 -5.294 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -4.205 14.039 -6.931 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.516 14.042 -5.769 1.00 0.77 H new ATOM 977 N PHE A 153 -1.714 12.878 -2.800 1.00 0.46 N ATOM 978 CA PHE A 153 -0.354 12.348 -2.460 1.00 0.46 C ATOM 979 C PHE A 153 -0.356 10.814 -2.457 1.00 0.50 C ATOM 980 O PHE A 153 0.574 10.188 -2.924 1.00 0.64 O ATOM 981 CB PHE A 153 -0.056 12.888 -1.056 1.00 0.49 C ATOM 982 CG PHE A 153 1.432 12.842 -0.790 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.329 13.392 -1.715 1.00 0.52 C ATOM 984 CD2 PHE A 153 1.914 12.260 0.388 1.00 0.62 C ATOM 985 CE1 PHE A 153 3.703 13.358 -1.463 1.00 0.61 C ATOM 986 CE2 PHE A 153 3.290 12.228 0.641 1.00 0.73 C ATOM 987 CZ PHE A 153 4.185 12.776 -0.285 1.00 0.68 C ATOM 0 H PHE A 153 -2.123 13.493 -2.096 1.00 0.46 H new ATOM 0 HA PHE A 153 0.397 12.657 -3.186 1.00 0.46 H new ATOM 0 HB2 PHE A 153 -0.418 13.912 -0.967 1.00 0.49 H new ATOM 0 HB3 PHE A 153 -0.586 12.296 -0.310 1.00 0.49 H new ATOM 0 HD1 PHE A 153 1.958 13.843 -2.624 1.00 0.52 H new ATOM 0 HD2 PHE A 153 1.224 11.835 1.102 1.00 0.62 H new ATOM 0 HE1 PHE A 153 4.393 13.781 -2.178 1.00 0.61 H new ATOM 0 HE2 PHE A 153 3.661 11.780 1.551 1.00 0.73 H new ATOM 0 HZ PHE A 153 5.247 12.750 -0.091 1.00 0.68 H new ATOM 997 N LEU A 154 -1.396 10.205 -1.940 1.00 0.53 N ATOM 998 CA LEU A 154 -1.457 8.708 -1.916 1.00 0.62 C ATOM 999 C LEU A 154 -1.574 8.159 -3.346 1.00 0.65 C ATOM 1000 O LEU A 154 -0.917 7.199 -3.703 1.00 0.83 O ATOM 1001 CB LEU A 154 -2.709 8.367 -1.099 1.00 0.75 C ATOM 1002 CG LEU A 154 -2.342 8.164 0.378 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -1.302 7.050 0.507 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -1.769 9.461 0.957 1.00 1.20 C ATOM 0 H LEU A 154 -2.204 10.678 -1.534 1.00 0.53 H new ATOM 0 HA LEU A 154 -0.561 8.267 -1.480 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -3.442 9.169 -1.192 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -3.174 7.463 -1.493 1.00 0.75 H new ATOM 0 HG LEU A 154 -3.241 7.888 0.929 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -1.046 6.911 1.557 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -1.711 6.122 0.107 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -0.406 7.322 -0.052 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -1.511 9.309 2.005 1.00 1.20 H new ATOM 0 HD22 LEU A 154 -0.875 9.744 0.401 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -2.512 10.254 0.878 1.00 1.20 H new ATOM 1016 N GLU A 155 -2.393 8.773 -4.166 1.00 0.69 N ATOM 1017 CA GLU A 155 -2.547 8.305 -5.581 1.00 0.81 C ATOM 1018 C GLU A 155 -1.282 8.626 -6.400 1.00 0.76 C ATOM 1019 O GLU A 155 -1.092 8.113 -7.489 1.00 0.90 O ATOM 1020 CB GLU A 155 -3.759 9.075 -6.121 1.00 0.97 C ATOM 1021 CG GLU A 155 -4.513 8.206 -7.134 1.00 1.41 C ATOM 1022 CD GLU A 155 -4.135 8.621 -8.557 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -4.581 9.671 -8.987 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -3.405 7.881 -9.197 1.00 2.57 O ATOM 0 H GLU A 155 -2.963 9.581 -3.916 1.00 0.69 H new ATOM 0 HA GLU A 155 -2.688 7.226 -5.645 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -4.421 9.352 -5.301 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -3.433 10.001 -6.594 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -4.272 7.155 -6.976 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -5.588 8.312 -6.988 1.00 1.41 H new ATOM 1031 N PHE A 156 -0.414 9.467 -5.886 1.00 0.66 N ATOM 1032 CA PHE A 156 0.834 9.815 -6.630 1.00 0.77 C ATOM 1033 C PHE A 156 2.022 8.982 -6.116 1.00 0.71 C ATOM 1034 O PHE A 156 2.763 8.405 -6.890 1.00 0.88 O ATOM 1035 CB PHE A 156 1.044 11.310 -6.352 1.00 0.84 C ATOM 1036 CG PHE A 156 2.482 11.685 -6.629 1.00 1.01 C ATOM 1037 CD1 PHE A 156 2.925 11.820 -7.946 1.00 1.09 C ATOM 1038 CD2 PHE A 156 3.372 11.884 -5.567 1.00 1.49 C ATOM 1039 CE1 PHE A 156 4.255 12.156 -8.207 1.00 1.31 C ATOM 1040 CE2 PHE A 156 4.707 12.219 -5.826 1.00 1.72 C ATOM 1041 CZ PHE A 156 5.148 12.355 -7.147 1.00 1.53 C ATOM 0 H PHE A 156 -0.519 9.927 -4.982 1.00 0.66 H new ATOM 0 HA PHE A 156 0.757 9.605 -7.697 1.00 0.77 H new ATOM 0 HB2 PHE A 156 0.377 11.903 -6.978 1.00 0.84 H new ATOM 0 HB3 PHE A 156 0.793 11.535 -5.316 1.00 0.84 H new ATOM 0 HD1 PHE A 156 2.238 11.664 -8.764 1.00 1.09 H new ATOM 0 HD2 PHE A 156 3.029 11.779 -4.548 1.00 1.49 H new ATOM 0 HE1 PHE A 156 4.595 12.262 -9.227 1.00 1.31 H new ATOM 0 HE2 PHE A 156 5.395 12.372 -5.008 1.00 1.72 H new ATOM 0 HZ PHE A 156 6.177 12.613 -7.349 1.00 1.53 H new ATOM 1051 N MET A 157 2.209 8.929 -4.816 1.00 0.61 N ATOM 1052 CA MET A 157 3.355 8.152 -4.228 1.00 0.69 C ATOM 1053 C MET A 157 3.296 6.659 -4.601 1.00 0.83 C ATOM 1054 O MET A 157 4.277 5.951 -4.471 1.00 1.17 O ATOM 1055 CB MET A 157 3.221 8.332 -2.712 1.00 0.84 C ATOM 1056 CG MET A 157 3.871 9.654 -2.298 1.00 0.92 C ATOM 1057 SD MET A 157 5.637 9.603 -2.693 1.00 1.56 S ATOM 1058 CE MET A 157 6.241 10.309 -1.143 1.00 0.90 C ATOM 0 H MET A 157 1.613 9.394 -4.131 1.00 0.61 H new ATOM 0 HA MET A 157 4.310 8.513 -4.611 1.00 0.69 H new ATOM 0 HB2 MET A 157 2.169 8.326 -2.425 1.00 0.84 H new ATOM 0 HB3 MET A 157 3.698 7.501 -2.192 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.394 10.485 -2.818 1.00 0.92 H new ATOM 0 HG3 MET A 157 3.730 9.823 -1.230 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.056 9.697 -0.758 1.00 0.90 H new ATOM 0 HE2 MET A 157 6.601 11.322 -1.321 1.00 0.90 H new ATOM 0 HE3 MET A 157 5.431 10.334 -0.415 1.00 0.90 H new ATOM 1068 N LYS A 158 2.165 6.179 -5.063 1.00 0.86 N ATOM 1069 CA LYS A 158 2.046 4.732 -5.452 1.00 1.07 C ATOM 1070 C LYS A 158 3.150 4.328 -6.450 1.00 1.36 C ATOM 1071 O LYS A 158 3.528 3.174 -6.525 1.00 1.73 O ATOM 1072 CB LYS A 158 0.654 4.590 -6.097 1.00 1.28 C ATOM 1073 CG LYS A 158 0.451 5.658 -7.184 1.00 1.66 C ATOM 1074 CD LYS A 158 0.728 5.062 -8.567 1.00 2.24 C ATOM 1075 CE LYS A 158 1.252 6.164 -9.503 1.00 2.85 C ATOM 1076 NZ LYS A 158 0.061 6.998 -9.846 1.00 3.52 N1+ ATOM 0 H LYS A 158 1.314 6.728 -5.189 1.00 0.86 H new ATOM 0 HA LYS A 158 2.162 4.079 -4.587 1.00 1.07 H new ATOM 0 HB2 LYS A 158 0.548 3.596 -6.532 1.00 1.28 H new ATOM 0 HB3 LYS A 158 -0.118 4.688 -5.334 1.00 1.28 H new ATOM 0 HG2 LYS A 158 -0.569 6.041 -7.142 1.00 1.66 H new ATOM 0 HG3 LYS A 158 1.116 6.502 -7.004 1.00 1.66 H new ATOM 0 HD2 LYS A 158 1.460 4.258 -8.489 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -0.183 4.625 -8.976 1.00 2.24 H new ATOM 0 HE2 LYS A 158 2.021 6.761 -9.013 1.00 2.85 H new ATOM 0 HE3 LYS A 158 1.702 5.736 -10.399 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 0.331 7.716 -10.548 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -0.686 6.391 -10.241 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -0.293 7.468 -8.988 1.00 3.52 H new