USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=13 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 118 LYS NZ :NH3+ -178:sc= 1.81 (180deg=1.18) USER MOD Set 1.2: A 122 GLN : amide:sc= 0.549 K(o=2.4,f=-0.75) USER MOD Single : A 98 SER OG : rot 180:sc= 0.0789 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 152:sc= 0.784 (180deg=0.417) USER MOD Single : A 107 ASN : amide:sc= 0.375 X(o=0.38,f=-0.049) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl 169:sc= -5.76! (180deg=-5.98!) USER MOD Single : A 124 THR OG1 : rot -47:sc= 0.263 USER MOD Single : A 127 THR OG1 : rot -41:sc= 0.448 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.0779 USER MOD Single : A 137 MET CE :methyl 151:sc= -6.01! (180deg=-6.77!) USER MOD Single : A 138 LYS NZ :NH3+ 177:sc= 2.38 (180deg=2.34) USER MOD Single : A 142 LYS NZ :NH3+ -142:sc= 0.78 (180deg=-0.553) USER MOD Single : A 143 ASN : amide:sc= -0.776 K(o=-0.78,f=-0.14) USER MOD Single : A 144 ASN : amide:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 150 TYR OH : rot -130:sc= 0 USER MOD Single : A 157 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 158 LYS NZ :NH3+ -169:sc= 0.536 (180deg=0.51) USER MOD ----------------------------------------------------------------- ATOM 60 N GLU A 94 2.110 5.344 6.406 1.00 1.26 N ATOM 61 CA GLU A 94 1.668 6.774 6.472 1.00 1.17 C ATOM 62 C GLU A 94 2.406 7.539 7.591 1.00 1.12 C ATOM 63 O GLU A 94 2.317 8.751 7.673 1.00 1.09 O ATOM 64 CB GLU A 94 0.164 6.726 6.743 1.00 1.33 C ATOM 65 CG GLU A 94 -0.575 7.431 5.599 1.00 1.28 C ATOM 66 CD GLU A 94 -0.969 6.409 4.531 1.00 1.44 C ATOM 67 OE1 GLU A 94 -0.110 6.039 3.747 1.00 1.94 O ATOM 68 OE2 GLU A 94 -2.122 6.016 4.513 1.00 2.09 O ATOM 0 HA GLU A 94 1.895 7.303 5.546 1.00 1.17 H new ATOM 0 HB2 GLU A 94 -0.170 5.692 6.826 1.00 1.33 H new ATOM 0 HB3 GLU A 94 -0.063 7.211 7.692 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -1.464 7.932 5.982 1.00 1.28 H new ATOM 0 HG3 GLU A 94 0.061 8.201 5.162 1.00 1.28 H new ATOM 75 N GLU A 95 3.152 6.856 8.436 1.00 1.19 N ATOM 76 CA GLU A 95 3.908 7.568 9.519 1.00 1.23 C ATOM 77 C GLU A 95 5.001 8.422 8.872 1.00 1.03 C ATOM 78 O GLU A 95 5.072 9.619 9.077 1.00 1.01 O ATOM 79 CB GLU A 95 4.525 6.467 10.393 1.00 1.45 C ATOM 80 CG GLU A 95 3.424 5.732 11.166 1.00 1.90 C ATOM 81 CD GLU A 95 3.043 4.448 10.426 1.00 2.12 C ATOM 82 OE1 GLU A 95 3.778 3.481 10.538 1.00 2.66 O ATOM 83 OE2 GLU A 95 2.024 4.455 9.757 1.00 2.49 O ATOM 0 H GLU A 95 3.268 5.843 8.421 1.00 1.19 H new ATOM 0 HA GLU A 95 3.274 8.224 10.115 1.00 1.23 H new ATOM 0 HB2 GLU A 95 5.075 5.762 9.770 1.00 1.45 H new ATOM 0 HB3 GLU A 95 5.241 6.903 11.090 1.00 1.45 H new ATOM 0 HG2 GLU A 95 3.769 5.494 12.172 1.00 1.90 H new ATOM 0 HG3 GLU A 95 2.550 6.375 11.273 1.00 1.90 H new ATOM 90 N GLU A 96 5.831 7.811 8.060 1.00 1.02 N ATOM 91 CA GLU A 96 6.902 8.578 7.353 1.00 0.94 C ATOM 92 C GLU A 96 6.271 9.386 6.207 1.00 0.79 C ATOM 93 O GLU A 96 6.702 10.480 5.895 1.00 0.82 O ATOM 94 CB GLU A 96 7.864 7.516 6.808 1.00 1.15 C ATOM 95 CG GLU A 96 9.234 8.148 6.540 1.00 1.62 C ATOM 96 CD GLU A 96 9.806 7.602 5.231 1.00 1.99 C ATOM 97 OE1 GLU A 96 10.321 6.495 5.247 1.00 2.18 O ATOM 98 OE2 GLU A 96 9.718 8.299 4.235 1.00 2.78 O ATOM 0 H GLU A 96 5.811 6.812 7.857 1.00 1.02 H new ATOM 0 HA GLU A 96 7.419 9.283 8.004 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.963 6.700 7.524 1.00 1.15 H new ATOM 0 HB3 GLU A 96 7.465 7.087 5.889 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.140 9.232 6.483 1.00 1.62 H new ATOM 0 HG3 GLU A 96 9.913 7.930 7.364 1.00 1.62 H new ATOM 105 N LEU A 97 5.235 8.848 5.593 1.00 0.77 N ATOM 106 CA LEU A 97 4.537 9.566 4.475 1.00 0.71 C ATOM 107 C LEU A 97 4.027 10.931 4.959 1.00 0.67 C ATOM 108 O LEU A 97 4.134 11.923 4.262 1.00 0.75 O ATOM 109 CB LEU A 97 3.354 8.661 4.100 1.00 0.80 C ATOM 110 CG LEU A 97 3.584 7.994 2.737 1.00 0.77 C ATOM 111 CD1 LEU A 97 3.496 9.037 1.625 1.00 1.40 C ATOM 112 CD2 LEU A 97 4.961 7.325 2.703 1.00 1.22 C ATOM 0 H LEU A 97 4.843 7.935 5.823 1.00 0.77 H new ATOM 0 HA LEU A 97 5.198 9.751 3.628 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.219 7.896 4.865 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.436 9.249 4.071 1.00 0.80 H new ATOM 0 HG LEU A 97 2.815 7.237 2.584 1.00 0.77 H new ATOM 0 HD11 LEU A 97 3.660 8.556 0.661 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.509 9.499 1.636 1.00 1.40 H new ATOM 0 HD13 LEU A 97 4.256 9.802 1.783 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.113 6.855 1.731 1.00 1.22 H new ATOM 0 HD22 LEU A 97 5.734 8.075 2.868 1.00 1.22 H new ATOM 0 HD23 LEU A 97 5.017 6.568 3.485 1.00 1.22 H new ATOM 124 N SER A 98 3.482 10.985 6.155 1.00 0.69 N ATOM 125 CA SER A 98 2.975 12.285 6.701 1.00 0.76 C ATOM 126 C SER A 98 4.115 13.304 6.759 1.00 0.72 C ATOM 127 O SER A 98 3.946 14.452 6.406 1.00 0.77 O ATOM 128 CB SER A 98 2.479 11.968 8.114 1.00 0.92 C ATOM 129 OG SER A 98 1.941 13.149 8.701 1.00 1.57 O ATOM 0 H SER A 98 3.367 10.183 6.775 1.00 0.69 H new ATOM 0 HA SER A 98 2.186 12.710 6.081 1.00 0.76 H new ATOM 0 HB2 SER A 98 1.719 11.187 8.078 1.00 0.92 H new ATOM 0 HB3 SER A 98 3.299 11.587 8.723 1.00 0.92 H new ATOM 0 HG SER A 98 1.621 12.948 9.605 1.00 1.57 H new ATOM 135 N ASP A 99 5.275 12.883 7.198 1.00 0.80 N ATOM 136 CA ASP A 99 6.437 13.817 7.277 1.00 0.86 C ATOM 137 C ASP A 99 6.889 14.221 5.867 1.00 0.81 C ATOM 138 O ASP A 99 7.195 15.370 5.617 1.00 0.91 O ATOM 139 CB ASP A 99 7.531 13.029 7.997 1.00 1.02 C ATOM 140 CG ASP A 99 7.251 13.015 9.500 1.00 1.23 C ATOM 141 OD1 ASP A 99 6.325 12.330 9.907 1.00 1.83 O ATOM 142 OD2 ASP A 99 7.964 13.690 10.219 1.00 1.79 O ATOM 0 H ASP A 99 5.466 11.930 7.506 1.00 0.80 H new ATOM 0 HA ASP A 99 6.193 14.740 7.803 1.00 0.86 H new ATOM 0 HB2 ASP A 99 7.569 12.009 7.615 1.00 1.02 H new ATOM 0 HB3 ASP A 99 8.505 13.479 7.803 1.00 1.02 H new ATOM 147 N LEU A 100 6.920 13.292 4.939 1.00 0.75 N ATOM 148 CA LEU A 100 7.335 13.640 3.541 1.00 0.76 C ATOM 149 C LEU A 100 6.410 14.734 2.976 1.00 0.68 C ATOM 150 O LEU A 100 6.818 15.540 2.167 1.00 0.79 O ATOM 151 CB LEU A 100 7.192 12.339 2.735 1.00 0.86 C ATOM 152 CG LEU A 100 8.252 12.293 1.626 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.378 11.337 2.029 1.00 1.41 C ATOM 154 CD2 LEU A 100 7.615 11.795 0.326 1.00 1.41 C ATOM 0 H LEU A 100 6.677 12.313 5.088 1.00 0.75 H new ATOM 0 HA LEU A 100 8.353 14.026 3.498 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.305 11.478 3.394 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.195 12.278 2.300 1.00 0.86 H new ATOM 0 HG LEU A 100 8.656 13.294 1.477 1.00 0.79 H new ATOM 0 HD11 LEU A 100 10.129 11.306 1.240 1.00 1.41 H new ATOM 0 HD12 LEU A 100 9.838 11.685 2.954 1.00 1.41 H new ATOM 0 HD13 LEU A 100 8.970 10.338 2.181 1.00 1.41 H new ATOM 0 HD21 LEU A 100 8.370 11.763 -0.460 1.00 1.41 H new ATOM 0 HD22 LEU A 100 7.209 10.795 0.480 1.00 1.41 H new ATOM 0 HD23 LEU A 100 6.813 12.471 0.032 1.00 1.41 H new ATOM 166 N PHE A 101 5.168 14.763 3.406 1.00 0.60 N ATOM 167 CA PHE A 101 4.208 15.804 2.911 1.00 0.59 C ATOM 168 C PHE A 101 4.192 17.025 3.853 1.00 0.60 C ATOM 169 O PHE A 101 4.241 18.158 3.413 1.00 0.72 O ATOM 170 CB PHE A 101 2.844 15.100 2.925 1.00 0.61 C ATOM 171 CG PHE A 101 1.770 16.036 2.421 1.00 0.58 C ATOM 172 CD1 PHE A 101 1.119 16.902 3.309 1.00 0.86 C ATOM 173 CD2 PHE A 101 1.423 16.033 1.068 1.00 0.68 C ATOM 174 CE1 PHE A 101 0.119 17.763 2.838 1.00 0.90 C ATOM 175 CE2 PHE A 101 0.426 16.892 0.598 1.00 0.73 C ATOM 176 CZ PHE A 101 -0.227 17.759 1.483 1.00 0.69 C ATOM 0 H PHE A 101 4.777 14.107 4.082 1.00 0.60 H new ATOM 0 HA PHE A 101 4.477 16.179 1.924 1.00 0.59 H new ATOM 0 HB2 PHE A 101 2.881 14.207 2.301 1.00 0.61 H new ATOM 0 HB3 PHE A 101 2.606 14.772 3.937 1.00 0.61 H new ATOM 0 HD1 PHE A 101 1.387 16.906 4.355 1.00 0.86 H new ATOM 0 HD2 PHE A 101 1.926 15.366 0.384 1.00 0.68 H new ATOM 0 HE1 PHE A 101 -0.385 18.430 3.522 1.00 0.90 H new ATOM 0 HE2 PHE A 101 0.159 16.887 -0.448 1.00 0.73 H new ATOM 0 HZ PHE A 101 -0.997 18.424 1.120 1.00 0.69 H new ATOM 186 N ARG A 102 4.100 16.789 5.141 1.00 0.67 N ATOM 187 CA ARG A 102 4.050 17.911 6.140 1.00 0.76 C ATOM 188 C ARG A 102 5.433 18.555 6.341 1.00 0.68 C ATOM 189 O ARG A 102 5.574 19.761 6.279 1.00 0.78 O ATOM 190 CB ARG A 102 3.561 17.238 7.435 1.00 0.99 C ATOM 191 CG ARG A 102 3.838 18.130 8.652 1.00 1.30 C ATOM 192 CD ARG A 102 4.991 17.533 9.471 1.00 1.45 C ATOM 193 NE ARG A 102 4.340 16.623 10.460 1.00 2.12 N ATOM 194 CZ ARG A 102 4.785 15.407 10.620 1.00 2.71 C ATOM 195 NH1 ARG A 102 5.717 15.169 11.499 1.00 3.37 N1+ ATOM 196 NH2 ARG A 102 4.286 14.436 9.912 1.00 3.07 N ATOM 0 H ARG A 102 4.057 15.855 5.550 1.00 0.67 H new ATOM 0 HA ARG A 102 3.399 18.722 5.814 1.00 0.76 H new ATOM 0 HB2 ARG A 102 2.492 17.035 7.363 1.00 0.99 H new ATOM 0 HB3 ARG A 102 4.060 16.277 7.562 1.00 0.99 H new ATOM 0 HG2 ARG A 102 4.093 19.139 8.327 1.00 1.30 H new ATOM 0 HG3 ARG A 102 2.943 18.210 9.269 1.00 1.30 H new ATOM 0 HD2 ARG A 102 5.686 16.988 8.833 1.00 1.45 H new ATOM 0 HD3 ARG A 102 5.564 18.314 9.972 1.00 1.45 H new ATOM 0 HE ARG A 102 3.547 16.952 11.011 1.00 2.12 H new ATOM 0 HH11 ARG A 102 6.096 15.932 12.059 1.00 3.37 H new ATOM 0 HH12 ARG A 102 6.067 14.220 11.627 1.00 3.37 H new ATOM 0 HH21 ARG A 102 3.548 14.626 9.234 1.00 3.07 H new ATOM 0 HH22 ARG A 102 4.632 13.485 10.035 1.00 3.07 H new ATOM 210 N MET A 103 6.444 17.764 6.599 1.00 0.71 N ATOM 211 CA MET A 103 7.814 18.330 6.826 1.00 0.75 C ATOM 212 C MET A 103 8.424 18.902 5.532 1.00 0.68 C ATOM 213 O MET A 103 9.449 19.558 5.569 1.00 0.83 O ATOM 214 CB MET A 103 8.645 17.145 7.333 1.00 0.93 C ATOM 215 CG MET A 103 9.685 17.634 8.345 1.00 1.27 C ATOM 216 SD MET A 103 9.110 17.262 10.020 1.00 1.82 S ATOM 217 CE MET A 103 9.515 18.861 10.763 1.00 2.43 C ATOM 0 H MET A 103 6.382 16.748 6.663 1.00 0.71 H new ATOM 0 HA MET A 103 7.788 19.161 7.531 1.00 0.75 H new ATOM 0 HB2 MET A 103 7.993 16.404 7.797 1.00 0.93 H new ATOM 0 HB3 MET A 103 9.142 16.653 6.497 1.00 0.93 H new ATOM 0 HG2 MET A 103 10.644 17.149 8.161 1.00 1.27 H new ATOM 0 HG3 MET A 103 9.843 18.707 8.232 1.00 1.27 H new ATOM 0 HE1 MET A 103 9.238 18.853 11.817 1.00 2.43 H new ATOM 0 HE2 MET A 103 10.585 19.044 10.671 1.00 2.43 H new ATOM 0 HE3 MET A 103 8.966 19.650 10.249 1.00 2.43 H new ATOM 227 N PHE A 104 7.820 18.661 4.391 1.00 0.68 N ATOM 228 CA PHE A 104 8.395 19.196 3.116 1.00 0.79 C ATOM 229 C PHE A 104 7.785 20.552 2.744 1.00 0.71 C ATOM 230 O PHE A 104 8.479 21.417 2.243 1.00 0.88 O ATOM 231 CB PHE A 104 8.069 18.147 2.053 1.00 0.94 C ATOM 232 CG PHE A 104 9.253 17.220 1.904 1.00 1.31 C ATOM 233 CD1 PHE A 104 9.700 16.475 3.002 1.00 1.26 C ATOM 234 CD2 PHE A 104 9.910 17.119 0.675 1.00 2.03 C ATOM 235 CE1 PHE A 104 10.805 15.630 2.870 1.00 1.86 C ATOM 236 CE2 PHE A 104 11.016 16.271 0.542 1.00 2.65 C ATOM 237 CZ PHE A 104 11.464 15.528 1.640 1.00 2.56 C ATOM 0 H PHE A 104 6.961 18.121 4.288 1.00 0.68 H new ATOM 0 HA PHE A 104 9.467 19.367 3.209 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.182 17.583 2.339 1.00 0.94 H new ATOM 0 HB3 PHE A 104 7.846 18.630 1.102 1.00 0.94 H new ATOM 0 HD1 PHE A 104 9.191 16.553 3.951 1.00 1.26 H new ATOM 0 HD2 PHE A 104 9.565 17.694 -0.171 1.00 2.03 H new ATOM 0 HE1 PHE A 104 11.150 15.056 3.717 1.00 1.86 H new ATOM 0 HE2 PHE A 104 11.523 16.190 -0.408 1.00 2.65 H new ATOM 0 HZ PHE A 104 12.319 14.876 1.538 1.00 2.56 H new ATOM 247 N ASP A 105 6.505 20.747 2.973 1.00 0.61 N ATOM 248 CA ASP A 105 5.863 22.057 2.618 1.00 0.60 C ATOM 249 C ASP A 105 6.718 23.235 3.120 1.00 0.56 C ATOM 250 O ASP A 105 6.722 23.561 4.292 1.00 0.63 O ATOM 251 CB ASP A 105 4.495 22.034 3.309 1.00 0.68 C ATOM 252 CG ASP A 105 3.591 23.112 2.705 1.00 0.86 C ATOM 253 OD1 ASP A 105 3.291 23.017 1.527 1.00 0.84 O ATOM 254 OD2 ASP A 105 3.216 24.016 3.428 1.00 1.45 O ATOM 0 H ASP A 105 5.879 20.058 3.389 1.00 0.61 H new ATOM 0 HA ASP A 105 5.767 22.187 1.540 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.035 21.053 3.192 1.00 0.68 H new ATOM 0 HB3 ASP A 105 4.615 22.204 4.379 1.00 0.68 H new ATOM 259 N LYS A 106 7.450 23.863 2.231 1.00 0.59 N ATOM 260 CA LYS A 106 8.322 25.013 2.635 1.00 0.66 C ATOM 261 C LYS A 106 7.500 26.300 2.776 1.00 0.55 C ATOM 262 O LYS A 106 7.860 27.190 3.523 1.00 0.63 O ATOM 263 CB LYS A 106 9.342 25.161 1.499 1.00 0.87 C ATOM 264 CG LYS A 106 10.652 25.728 2.055 1.00 1.21 C ATOM 265 CD LYS A 106 11.729 24.638 2.060 1.00 1.61 C ATOM 266 CE LYS A 106 11.719 23.907 3.409 1.00 1.77 C ATOM 267 NZ LYS A 106 11.055 22.595 3.142 1.00 2.14 N1+ ATOM 0 H LYS A 106 7.481 23.628 1.239 1.00 0.59 H new ATOM 0 HA LYS A 106 8.798 24.836 3.600 1.00 0.66 H new ATOM 0 HB2 LYS A 106 9.523 24.194 1.031 1.00 0.87 H new ATOM 0 HB3 LYS A 106 8.948 25.821 0.726 1.00 0.87 H new ATOM 0 HG2 LYS A 106 10.979 26.573 1.449 1.00 1.21 H new ATOM 0 HG3 LYS A 106 10.496 26.103 3.067 1.00 1.21 H new ATOM 0 HD2 LYS A 106 11.548 23.931 1.251 1.00 1.61 H new ATOM 0 HD3 LYS A 106 12.709 25.081 1.883 1.00 1.61 H new ATOM 0 HE2 LYS A 106 12.731 23.766 3.787 1.00 1.77 H new ATOM 0 HE3 LYS A 106 11.174 24.477 4.161 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 11.409 21.884 3.813 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 10.026 22.697 3.256 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 11.267 22.290 2.171 1.00 2.14 H new ATOM 281 N ASN A 107 6.409 26.408 2.060 1.00 0.48 N ATOM 282 CA ASN A 107 5.572 27.642 2.146 1.00 0.50 C ATOM 283 C ASN A 107 4.807 27.703 3.485 1.00 0.58 C ATOM 284 O ASN A 107 4.347 28.754 3.887 1.00 0.70 O ATOM 285 CB ASN A 107 4.609 27.540 0.966 1.00 0.54 C ATOM 286 CG ASN A 107 3.881 28.872 0.766 1.00 0.70 C ATOM 287 OD1 ASN A 107 4.503 29.904 0.621 1.00 1.00 O ATOM 288 ND2 ASN A 107 2.578 28.891 0.748 1.00 0.78 N ATOM 0 H ASN A 107 6.062 25.694 1.419 1.00 0.48 H new ATOM 0 HA ASN A 107 6.174 28.550 2.107 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.157 27.276 0.061 1.00 0.54 H new ATOM 0 HB3 ASN A 107 3.886 26.744 1.144 1.00 0.54 H new ATOM 0 HD21 ASN A 107 2.083 29.772 0.612 1.00 0.78 H new ATOM 0 HD22 ASN A 107 2.054 28.025 0.870 1.00 0.78 H new ATOM 295 N ALA A 108 4.680 26.585 4.175 1.00 0.65 N ATOM 296 CA ALA A 108 3.964 26.553 5.498 1.00 0.84 C ATOM 297 C ALA A 108 2.468 26.888 5.347 1.00 0.78 C ATOM 298 O ALA A 108 2.053 28.023 5.496 1.00 0.96 O ATOM 299 CB ALA A 108 4.678 27.592 6.372 1.00 1.03 C ATOM 0 H ALA A 108 5.047 25.683 3.872 1.00 0.65 H new ATOM 0 HA ALA A 108 3.996 25.558 5.941 1.00 0.84 H new ATOM 0 HB1 ALA A 108 4.209 27.624 7.355 1.00 1.03 H new ATOM 0 HB2 ALA A 108 5.727 27.318 6.480 1.00 1.03 H new ATOM 0 HB3 ALA A 108 4.606 28.573 5.903 1.00 1.03 H new ATOM 305 N ASP A 109 1.658 25.893 5.064 1.00 0.73 N ATOM 306 CA ASP A 109 0.180 26.122 4.911 1.00 0.74 C ATOM 307 C ASP A 109 -0.604 24.788 4.915 1.00 0.78 C ATOM 308 O ASP A 109 -1.771 24.763 5.258 1.00 0.96 O ATOM 309 CB ASP A 109 0.005 26.858 3.575 1.00 0.72 C ATOM 310 CG ASP A 109 0.818 26.170 2.482 1.00 1.15 C ATOM 311 OD1 ASP A 109 0.284 25.286 1.841 1.00 1.95 O ATOM 312 OD2 ASP A 109 1.961 26.546 2.301 1.00 1.66 O ATOM 0 H ASP A 109 1.957 24.927 4.931 1.00 0.73 H new ATOM 0 HA ASP A 109 -0.214 26.704 5.744 1.00 0.74 H new ATOM 0 HB2 ASP A 109 -1.049 26.876 3.297 1.00 0.72 H new ATOM 0 HB3 ASP A 109 0.325 27.895 3.678 1.00 0.72 H new ATOM 317 N GLY A 110 0.016 23.684 4.547 1.00 0.76 N ATOM 318 CA GLY A 110 -0.713 22.373 4.548 1.00 0.85 C ATOM 319 C GLY A 110 -0.801 21.796 3.129 1.00 0.70 C ATOM 320 O GLY A 110 -0.990 20.609 2.955 1.00 0.73 O ATOM 0 H GLY A 110 0.990 23.637 4.248 1.00 0.76 H new ATOM 0 HA2 GLY A 110 -0.200 21.667 5.201 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.716 22.510 4.952 1.00 0.85 H new ATOM 324 N TYR A 111 -0.662 22.613 2.115 1.00 0.68 N ATOM 325 CA TYR A 111 -0.736 22.086 0.716 1.00 0.60 C ATOM 326 C TYR A 111 0.567 22.409 -0.023 1.00 0.58 C ATOM 327 O TYR A 111 0.962 23.548 -0.116 1.00 0.83 O ATOM 328 CB TYR A 111 -1.916 22.825 0.072 1.00 0.68 C ATOM 329 CG TYR A 111 -3.173 22.600 0.886 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.413 23.367 2.035 1.00 0.78 C ATOM 331 CD2 TYR A 111 -4.097 21.624 0.492 1.00 0.71 C ATOM 332 CE1 TYR A 111 -4.576 23.156 2.788 1.00 0.83 C ATOM 333 CE2 TYR A 111 -5.259 21.414 1.245 1.00 0.78 C ATOM 334 CZ TYR A 111 -5.498 22.180 2.392 1.00 0.80 C ATOM 335 OH TYR A 111 -6.643 21.972 3.134 1.00 0.90 O ATOM 0 H TYR A 111 -0.501 23.617 2.193 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.871 21.005 0.682 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.698 23.891 0.011 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -2.065 22.471 -0.948 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.702 24.120 2.340 1.00 0.78 H new ATOM 0 HD2 TYR A 111 -3.913 21.033 -0.393 1.00 0.71 H new ATOM 0 HE1 TYR A 111 -4.761 23.746 3.673 1.00 0.83 H new ATOM 0 HE2 TYR A 111 -5.971 20.661 0.941 1.00 0.78 H new ATOM 0 HH TYR A 111 -7.175 21.260 2.721 1.00 0.90 H new ATOM 345 N ILE A 112 1.236 21.419 -0.553 1.00 0.50 N ATOM 346 CA ILE A 112 2.522 21.683 -1.280 1.00 0.50 C ATOM 347 C ILE A 112 2.243 22.278 -2.668 1.00 0.49 C ATOM 348 O ILE A 112 1.251 21.965 -3.291 1.00 0.66 O ATOM 349 CB ILE A 112 3.200 20.310 -1.385 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.772 19.934 -0.009 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.331 20.365 -2.418 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.556 18.621 -0.099 1.00 0.66 C ATOM 0 H ILE A 112 0.952 20.440 -0.516 1.00 0.50 H new ATOM 0 HA ILE A 112 3.154 22.406 -0.764 1.00 0.50 H new ATOM 0 HB ILE A 112 2.472 19.563 -1.701 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.423 20.730 0.351 1.00 0.62 H new ATOM 0 HG13 ILE A 112 2.962 19.833 0.714 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.808 19.387 -2.488 1.00 0.58 H new ATOM 0 HG22 ILE A 112 3.922 20.640 -3.391 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.068 21.107 -2.111 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.955 18.368 0.883 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.894 17.824 -0.438 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.378 18.736 -0.806 1.00 0.66 H new ATOM 364 N ASP A 113 3.114 23.133 -3.152 1.00 0.47 N ATOM 365 CA ASP A 113 2.902 23.745 -4.502 1.00 0.50 C ATOM 366 C ASP A 113 3.999 23.290 -5.474 1.00 0.50 C ATOM 367 O ASP A 113 4.949 22.629 -5.092 1.00 0.57 O ATOM 368 CB ASP A 113 2.964 25.258 -4.276 1.00 0.60 C ATOM 369 CG ASP A 113 1.688 25.731 -3.571 1.00 1.17 C ATOM 370 OD1 ASP A 113 1.595 25.555 -2.368 1.00 1.85 O ATOM 371 OD2 ASP A 113 0.825 26.262 -4.248 1.00 1.77 O ATOM 0 H ASP A 113 3.962 23.433 -2.670 1.00 0.47 H new ATOM 0 HA ASP A 113 1.951 23.445 -4.943 1.00 0.50 H new ATOM 0 HB2 ASP A 113 3.837 25.509 -3.674 1.00 0.60 H new ATOM 0 HB3 ASP A 113 3.075 25.773 -5.230 1.00 0.60 H new ATOM 376 N LEU A 114 3.859 23.632 -6.728 1.00 0.52 N ATOM 377 CA LEU A 114 4.868 23.222 -7.758 1.00 0.57 C ATOM 378 C LEU A 114 6.292 23.679 -7.382 1.00 0.63 C ATOM 379 O LEU A 114 7.229 22.905 -7.439 1.00 0.80 O ATOM 380 CB LEU A 114 4.406 23.907 -9.050 1.00 0.62 C ATOM 381 CG LEU A 114 3.141 23.217 -9.574 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.954 24.184 -9.497 1.00 0.91 C ATOM 383 CD2 LEU A 114 3.359 22.794 -11.028 1.00 0.81 C ATOM 0 H LEU A 114 3.081 24.184 -7.089 1.00 0.52 H new ATOM 0 HA LEU A 114 4.922 22.137 -7.852 1.00 0.57 H new ATOM 0 HB2 LEU A 114 4.206 24.962 -8.863 1.00 0.62 H new ATOM 0 HB3 LEU A 114 5.195 23.861 -9.800 1.00 0.62 H new ATOM 0 HG LEU A 114 2.930 22.339 -8.964 1.00 0.61 H new ATOM 0 HD11 LEU A 114 1.057 23.690 -9.870 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.797 24.486 -8.461 1.00 0.91 H new ATOM 0 HD13 LEU A 114 2.162 25.065 -10.104 1.00 0.91 H new ATOM 0 HD21 LEU A 114 2.461 22.303 -11.403 1.00 0.81 H new ATOM 0 HD22 LEU A 114 3.572 23.674 -11.635 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.200 22.103 -11.084 1.00 0.81 H new ATOM 395 N ASP A 115 6.459 24.928 -7.021 1.00 0.61 N ATOM 396 CA ASP A 115 7.825 25.450 -6.666 1.00 0.71 C ATOM 397 C ASP A 115 8.423 24.738 -5.442 1.00 0.65 C ATOM 398 O ASP A 115 9.586 24.379 -5.441 1.00 0.89 O ATOM 399 CB ASP A 115 7.613 26.936 -6.363 1.00 0.80 C ATOM 400 CG ASP A 115 7.649 27.731 -7.667 1.00 1.17 C ATOM 401 OD1 ASP A 115 8.737 28.069 -8.101 1.00 1.76 O ATOM 402 OD2 ASP A 115 6.587 27.984 -8.212 1.00 1.76 O ATOM 0 H ASP A 115 5.708 25.615 -6.955 1.00 0.61 H new ATOM 0 HA ASP A 115 8.530 25.278 -7.479 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.657 27.083 -5.861 1.00 0.80 H new ATOM 0 HB3 ASP A 115 8.387 27.294 -5.685 1.00 0.80 H new ATOM 407 N GLU A 116 7.655 24.550 -4.397 1.00 0.51 N ATOM 408 CA GLU A 116 8.205 23.882 -3.168 1.00 0.48 C ATOM 409 C GLU A 116 8.680 22.448 -3.484 1.00 0.49 C ATOM 410 O GLU A 116 9.665 21.989 -2.933 1.00 0.63 O ATOM 411 CB GLU A 116 7.057 23.885 -2.147 1.00 0.48 C ATOM 412 CG GLU A 116 6.614 25.325 -1.874 1.00 0.57 C ATOM 413 CD GLU A 116 5.278 25.318 -1.136 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.186 24.661 -0.112 1.00 1.19 O ATOM 415 OE2 GLU A 116 4.369 25.974 -1.604 1.00 1.36 O ATOM 0 H GLU A 116 6.675 24.827 -4.338 1.00 0.51 H new ATOM 0 HA GLU A 116 9.079 24.406 -2.780 1.00 0.48 H new ATOM 0 HB2 GLU A 116 6.218 23.302 -2.527 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.381 23.412 -1.220 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.367 25.841 -1.279 1.00 0.57 H new ATOM 0 HG3 GLU A 116 6.520 25.871 -2.812 1.00 0.57 H new ATOM 422 N LEU A 117 8.011 21.747 -4.377 1.00 0.48 N ATOM 423 CA LEU A 117 8.454 20.350 -4.734 1.00 0.52 C ATOM 424 C LEU A 117 9.893 20.372 -5.281 1.00 0.58 C ATOM 425 O LEU A 117 10.692 19.498 -4.998 1.00 0.69 O ATOM 426 CB LEU A 117 7.511 19.876 -5.854 1.00 0.55 C ATOM 427 CG LEU A 117 6.069 19.728 -5.355 1.00 0.50 C ATOM 428 CD1 LEU A 117 5.116 20.041 -6.510 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.816 18.291 -4.892 1.00 0.53 C ATOM 0 H LEU A 117 7.183 22.078 -4.872 1.00 0.48 H new ATOM 0 HA LEU A 117 8.425 19.698 -3.861 1.00 0.52 H new ATOM 0 HB2 LEU A 117 7.539 20.587 -6.679 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.861 18.920 -6.245 1.00 0.55 H new ATOM 0 HG LEU A 117 5.906 20.411 -4.521 1.00 0.50 H new ATOM 0 HD11 LEU A 117 4.086 19.940 -6.169 1.00 0.58 H new ATOM 0 HD12 LEU A 117 5.285 21.061 -6.855 1.00 0.58 H new ATOM 0 HD13 LEU A 117 5.297 19.346 -7.330 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.789 18.198 -4.540 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.978 17.607 -5.725 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.501 18.044 -4.081 1.00 0.53 H new ATOM 441 N LYS A 118 10.207 21.360 -6.085 1.00 0.59 N ATOM 442 CA LYS A 118 11.569 21.465 -6.699 1.00 0.69 C ATOM 443 C LYS A 118 12.668 21.703 -5.646 1.00 0.64 C ATOM 444 O LYS A 118 13.673 21.019 -5.630 1.00 0.73 O ATOM 445 CB LYS A 118 11.455 22.671 -7.642 1.00 0.83 C ATOM 446 CG LYS A 118 12.749 22.842 -8.437 1.00 0.99 C ATOM 447 CD LYS A 118 13.593 23.953 -7.804 1.00 1.35 C ATOM 448 CE LYS A 118 14.286 24.760 -8.904 1.00 1.51 C ATOM 449 NZ LYS A 118 15.671 24.212 -8.971 1.00 1.99 N1+ ATOM 0 H LYS A 118 9.567 22.110 -6.346 1.00 0.59 H new ATOM 0 HA LYS A 118 11.855 20.544 -7.206 1.00 0.69 H new ATOM 0 HB2 LYS A 118 10.616 22.531 -8.324 1.00 0.83 H new ATOM 0 HB3 LYS A 118 11.251 23.574 -7.067 1.00 0.83 H new ATOM 0 HG2 LYS A 118 13.308 21.907 -8.448 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.522 23.089 -9.474 1.00 0.99 H new ATOM 0 HD2 LYS A 118 12.961 24.606 -7.203 1.00 1.35 H new ATOM 0 HD3 LYS A 118 14.335 23.522 -7.132 1.00 1.35 H new ATOM 0 HE2 LYS A 118 13.771 24.649 -9.858 1.00 1.51 H new ATOM 0 HE3 LYS A 118 14.294 25.824 -8.668 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 16.219 24.739 -9.681 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 16.127 24.307 -8.041 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 15.634 23.208 -9.238 1.00 1.99 H new ATOM 463 N ILE A 119 12.499 22.681 -4.790 1.00 0.68 N ATOM 464 CA ILE A 119 13.550 22.988 -3.759 1.00 0.74 C ATOM 465 C ILE A 119 13.943 21.744 -2.938 1.00 0.75 C ATOM 466 O ILE A 119 15.103 21.554 -2.622 1.00 0.85 O ATOM 467 CB ILE A 119 12.922 24.072 -2.866 1.00 0.98 C ATOM 468 CG1 ILE A 119 13.131 25.442 -3.521 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.580 24.075 -1.482 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.829 25.911 -4.172 1.00 1.06 C ATOM 0 H ILE A 119 11.677 23.284 -4.758 1.00 0.68 H new ATOM 0 HA ILE A 119 14.477 23.322 -4.224 1.00 0.74 H new ATOM 0 HB ILE A 119 11.858 23.863 -2.752 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.456 26.166 -2.774 1.00 1.22 H new ATOM 0 HG13 ILE A 119 13.921 25.380 -4.270 1.00 1.22 H new ATOM 0 HG21 ILE A 119 13.123 24.848 -0.864 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.439 23.103 -1.010 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.646 24.277 -1.586 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.984 26.885 -4.636 1.00 1.06 H new ATOM 0 HD12 ILE A 119 11.523 25.192 -4.932 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.051 25.990 -3.413 1.00 1.06 H new ATOM 482 N MET A 120 13.002 20.908 -2.581 1.00 0.85 N ATOM 483 CA MET A 120 13.350 19.695 -1.769 1.00 1.01 C ATOM 484 C MET A 120 14.001 18.605 -2.632 1.00 0.95 C ATOM 485 O MET A 120 14.992 18.015 -2.244 1.00 1.11 O ATOM 486 CB MET A 120 12.026 19.199 -1.194 1.00 1.17 C ATOM 487 CG MET A 120 11.852 19.752 0.224 1.00 1.52 C ATOM 488 SD MET A 120 10.799 21.222 0.168 1.00 1.88 S ATOM 489 CE MET A 120 9.303 20.402 -0.433 1.00 1.43 C ATOM 0 H MET A 120 12.014 21.008 -2.813 1.00 0.85 H new ATOM 0 HA MET A 120 14.073 19.938 -0.991 1.00 1.01 H new ATOM 0 HB2 MET A 120 11.198 19.520 -1.826 1.00 1.17 H new ATOM 0 HB3 MET A 120 12.009 18.109 -1.177 1.00 1.17 H new ATOM 0 HG2 MET A 120 11.406 18.995 0.869 1.00 1.52 H new ATOM 0 HG3 MET A 120 12.823 20.002 0.651 1.00 1.52 H new ATOM 0 HE1 MET A 120 8.458 21.087 -0.359 1.00 1.43 H new ATOM 0 HE2 MET A 120 9.442 20.109 -1.474 1.00 1.43 H new ATOM 0 HE3 MET A 120 9.106 19.516 0.171 1.00 1.43 H new ATOM 499 N LEU A 121 13.452 18.326 -3.791 1.00 0.87 N ATOM 500 CA LEU A 121 14.044 17.262 -4.668 1.00 0.95 C ATOM 501 C LEU A 121 15.480 17.615 -5.091 1.00 0.87 C ATOM 502 O LEU A 121 16.226 16.756 -5.521 1.00 0.97 O ATOM 503 CB LEU A 121 13.125 17.191 -5.891 1.00 1.09 C ATOM 504 CG LEU A 121 11.975 16.221 -5.606 1.00 1.41 C ATOM 505 CD1 LEU A 121 10.894 16.381 -6.673 1.00 2.03 C ATOM 506 CD2 LEU A 121 12.497 14.782 -5.628 1.00 1.80 C ATOM 0 H LEU A 121 12.623 18.786 -4.167 1.00 0.87 H new ATOM 0 HA LEU A 121 14.109 16.308 -4.145 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.732 18.181 -6.122 1.00 1.09 H new ATOM 0 HB3 LEU A 121 13.687 16.859 -6.764 1.00 1.09 H new ATOM 0 HG LEU A 121 11.556 16.441 -4.624 1.00 1.41 H new ATOM 0 HD11 LEU A 121 10.076 15.690 -6.469 1.00 2.03 H new ATOM 0 HD12 LEU A 121 10.517 17.404 -6.659 1.00 2.03 H new ATOM 0 HD13 LEU A 121 11.316 16.164 -7.654 1.00 2.03 H new ATOM 0 HD21 LEU A 121 11.676 14.094 -5.425 1.00 1.80 H new ATOM 0 HD22 LEU A 121 12.920 14.563 -6.609 1.00 1.80 H new ATOM 0 HD23 LEU A 121 13.267 14.663 -4.866 1.00 1.80 H new ATOM 518 N GLN A 122 15.875 18.865 -4.971 1.00 0.82 N ATOM 519 CA GLN A 122 17.268 19.265 -5.363 1.00 0.95 C ATOM 520 C GLN A 122 18.303 18.435 -4.592 1.00 1.04 C ATOM 521 O GLN A 122 19.339 18.079 -5.118 1.00 1.19 O ATOM 522 CB GLN A 122 17.388 20.746 -4.986 1.00 1.14 C ATOM 523 CG GLN A 122 16.532 21.596 -5.934 1.00 1.42 C ATOM 524 CD GLN A 122 17.431 22.363 -6.907 1.00 1.85 C ATOM 525 OE1 GLN A 122 17.536 23.571 -6.828 1.00 2.44 O ATOM 526 NE2 GLN A 122 18.078 21.716 -7.835 1.00 2.28 N ATOM 0 H GLN A 122 15.292 19.624 -4.619 1.00 0.82 H new ATOM 0 HA GLN A 122 17.452 19.098 -6.424 1.00 0.95 H new ATOM 0 HB2 GLN A 122 17.064 20.896 -3.956 1.00 1.14 H new ATOM 0 HB3 GLN A 122 18.430 21.061 -5.041 1.00 1.14 H new ATOM 0 HG2 GLN A 122 15.845 20.957 -6.488 1.00 1.42 H new ATOM 0 HG3 GLN A 122 15.924 22.295 -5.360 1.00 1.42 H new ATOM 0 HE21 GLN A 122 17.992 20.702 -7.904 1.00 2.28 H new ATOM 0 HE22 GLN A 122 18.670 22.224 -8.492 1.00 2.28 H new ATOM 535 N ALA A 123 18.023 18.124 -3.349 1.00 1.09 N ATOM 536 CA ALA A 123 18.985 17.314 -2.537 1.00 1.33 C ATOM 537 C ALA A 123 19.128 15.896 -3.114 1.00 1.38 C ATOM 538 O ALA A 123 20.190 15.307 -3.063 1.00 1.62 O ATOM 539 CB ALA A 123 18.375 17.262 -1.135 1.00 1.45 C ATOM 0 H ALA A 123 17.169 18.396 -2.862 1.00 1.09 H new ATOM 0 HA ALA A 123 19.984 17.751 -2.536 1.00 1.33 H new ATOM 0 HB1 ALA A 123 19.024 16.683 -0.477 1.00 1.45 H new ATOM 0 HB2 ALA A 123 18.273 18.275 -0.745 1.00 1.45 H new ATOM 0 HB3 ALA A 123 17.393 16.791 -1.183 1.00 1.45 H new ATOM 545 N THR A 124 18.070 15.344 -3.661 1.00 1.29 N ATOM 546 CA THR A 124 18.155 13.963 -4.233 1.00 1.47 C ATOM 547 C THR A 124 18.023 13.987 -5.768 1.00 1.44 C ATOM 548 O THR A 124 17.577 13.031 -6.376 1.00 1.72 O ATOM 549 CB THR A 124 16.997 13.191 -3.580 1.00 1.56 C ATOM 550 OG1 THR A 124 17.161 11.802 -3.825 1.00 2.16 O ATOM 551 CG2 THR A 124 15.651 13.653 -4.153 1.00 1.92 C ATOM 0 H THR A 124 17.155 15.789 -3.736 1.00 1.29 H new ATOM 0 HA THR A 124 19.118 13.495 -4.029 1.00 1.47 H new ATOM 0 HB THR A 124 17.007 13.384 -2.507 1.00 1.56 H new ATOM 0 HG1 THR A 124 17.363 11.659 -4.773 1.00 2.16 H new ATOM 0 HG21 THR A 124 14.843 13.096 -3.679 1.00 1.92 H new ATOM 0 HG22 THR A 124 15.519 14.718 -3.960 1.00 1.92 H new ATOM 0 HG23 THR A 124 15.633 13.475 -5.228 1.00 1.92 H new ATOM 559 N GLY A 125 18.422 15.066 -6.400 1.00 1.26 N ATOM 560 CA GLY A 125 18.332 15.143 -7.890 1.00 1.32 C ATOM 561 C GLY A 125 17.838 16.528 -8.318 1.00 1.26 C ATOM 562 O GLY A 125 18.477 17.529 -8.057 1.00 1.63 O ATOM 0 H GLY A 125 18.806 15.895 -5.947 1.00 1.26 H new ATOM 0 HA2 GLY A 125 19.309 14.945 -8.332 1.00 1.32 H new ATOM 0 HA3 GLY A 125 17.653 14.376 -8.261 1.00 1.32 H new ATOM 566 N GLU A 126 16.706 16.580 -8.984 1.00 1.02 N ATOM 567 CA GLU A 126 16.139 17.886 -9.460 1.00 1.08 C ATOM 568 C GLU A 126 17.201 18.699 -10.221 1.00 0.89 C ATOM 569 O GLU A 126 17.700 19.702 -9.743 1.00 0.87 O ATOM 570 CB GLU A 126 15.674 18.628 -8.202 1.00 1.34 C ATOM 571 CG GLU A 126 14.451 19.493 -8.535 1.00 1.45 C ATOM 572 CD GLU A 126 14.805 20.498 -9.636 1.00 1.61 C ATOM 573 OE1 GLU A 126 15.408 21.509 -9.318 1.00 2.09 O ATOM 574 OE2 GLU A 126 14.466 20.240 -10.779 1.00 2.16 O ATOM 0 H GLU A 126 16.144 15.763 -9.221 1.00 1.02 H new ATOM 0 HA GLU A 126 15.313 17.732 -10.155 1.00 1.08 H new ATOM 0 HB2 GLU A 126 15.424 17.913 -7.418 1.00 1.34 H new ATOM 0 HB3 GLU A 126 16.480 19.253 -7.818 1.00 1.34 H new ATOM 0 HG2 GLU A 126 13.625 18.860 -8.860 1.00 1.45 H new ATOM 0 HG3 GLU A 126 14.115 20.022 -7.643 1.00 1.45 H new ATOM 581 N THR A 127 17.534 18.272 -11.408 1.00 1.09 N ATOM 582 CA THR A 127 18.544 19.009 -12.226 1.00 1.21 C ATOM 583 C THR A 127 17.908 19.414 -13.562 1.00 1.29 C ATOM 584 O THR A 127 18.464 19.204 -14.625 1.00 1.60 O ATOM 585 CB THR A 127 19.705 18.016 -12.420 1.00 1.57 C ATOM 586 OG1 THR A 127 20.739 18.632 -13.177 1.00 1.91 O ATOM 587 CG2 THR A 127 19.217 16.757 -13.147 1.00 2.18 C ATOM 0 H THR A 127 17.148 17.438 -11.851 1.00 1.09 H new ATOM 0 HA THR A 127 18.897 19.926 -11.755 1.00 1.21 H new ATOM 0 HB THR A 127 20.089 17.730 -11.441 1.00 1.57 H new ATOM 0 HG1 THR A 127 20.344 19.157 -13.904 1.00 1.91 H new ATOM 0 HG21 THR A 127 20.050 16.066 -13.276 1.00 2.18 H new ATOM 0 HG22 THR A 127 18.435 16.277 -12.559 1.00 2.18 H new ATOM 0 HG23 THR A 127 18.819 17.032 -14.124 1.00 2.18 H new ATOM 595 N ILE A 128 16.731 19.987 -13.505 1.00 1.08 N ATOM 596 CA ILE A 128 16.025 20.401 -14.758 1.00 1.20 C ATOM 597 C ILE A 128 15.373 21.785 -14.583 1.00 1.18 C ATOM 598 O ILE A 128 15.580 22.458 -13.589 1.00 1.15 O ATOM 599 CB ILE A 128 14.963 19.313 -15.009 1.00 1.12 C ATOM 600 CG1 ILE A 128 14.300 18.901 -13.681 1.00 1.32 C ATOM 601 CG2 ILE A 128 15.629 18.094 -15.653 1.00 1.62 C ATOM 602 CD1 ILE A 128 13.376 17.696 -13.895 1.00 2.03 C ATOM 0 H ILE A 128 16.227 20.187 -12.641 1.00 1.08 H new ATOM 0 HA ILE A 128 16.710 20.491 -15.601 1.00 1.20 H new ATOM 0 HB ILE A 128 14.197 19.708 -15.676 1.00 1.12 H new ATOM 0 HG12 ILE A 128 15.066 18.654 -12.946 1.00 1.32 H new ATOM 0 HG13 ILE A 128 13.729 19.737 -13.277 1.00 1.32 H new ATOM 0 HG21 ILE A 128 14.880 17.322 -15.832 1.00 1.62 H new ATOM 0 HG22 ILE A 128 16.083 18.385 -16.600 1.00 1.62 H new ATOM 0 HG23 ILE A 128 16.399 17.705 -14.986 1.00 1.62 H new ATOM 0 HD11 ILE A 128 12.916 17.418 -12.947 1.00 2.03 H new ATOM 0 HD12 ILE A 128 12.599 17.957 -14.613 1.00 2.03 H new ATOM 0 HD13 ILE A 128 13.956 16.856 -14.277 1.00 2.03 H new ATOM 614 N THR A 129 14.604 22.220 -15.554 1.00 1.34 N ATOM 615 CA THR A 129 13.952 23.571 -15.462 1.00 1.42 C ATOM 616 C THR A 129 12.556 23.479 -14.814 1.00 1.16 C ATOM 617 O THR A 129 12.181 22.461 -14.263 1.00 0.97 O ATOM 618 CB THR A 129 13.865 24.076 -16.912 1.00 1.64 C ATOM 619 OG1 THR A 129 13.361 25.409 -16.922 1.00 2.23 O ATOM 620 CG2 THR A 129 12.945 23.167 -17.729 1.00 2.28 C ATOM 0 H THR A 129 14.398 21.700 -16.407 1.00 1.34 H new ATOM 0 HA THR A 129 14.523 24.252 -14.831 1.00 1.42 H new ATOM 0 HB THR A 129 14.860 24.062 -17.357 1.00 1.64 H new ATOM 0 HG1 THR A 129 13.307 25.731 -17.846 1.00 2.23 H new ATOM 0 HG21 THR A 129 12.890 23.532 -18.754 1.00 2.28 H new ATOM 0 HG22 THR A 129 13.341 22.152 -17.727 1.00 2.28 H new ATOM 0 HG23 THR A 129 11.948 23.168 -17.289 1.00 2.28 H new ATOM 628 N GLU A 130 11.799 24.553 -14.861 1.00 1.31 N ATOM 629 CA GLU A 130 10.433 24.566 -14.233 1.00 1.28 C ATOM 630 C GLU A 130 9.444 23.639 -14.969 1.00 1.16 C ATOM 631 O GLU A 130 8.721 22.890 -14.338 1.00 1.21 O ATOM 632 CB GLU A 130 9.967 26.033 -14.287 1.00 1.69 C ATOM 633 CG GLU A 130 9.833 26.509 -15.741 1.00 2.05 C ATOM 634 CD GLU A 130 9.673 28.031 -15.772 1.00 2.43 C ATOM 635 OE1 GLU A 130 8.556 28.492 -15.604 1.00 2.70 O ATOM 636 OE2 GLU A 130 10.669 28.708 -15.963 1.00 3.03 O ATOM 0 H GLU A 130 12.070 25.428 -15.310 1.00 1.31 H new ATOM 0 HA GLU A 130 10.472 24.189 -13.211 1.00 1.28 H new ATOM 0 HB2 GLU A 130 9.009 26.134 -13.777 1.00 1.69 H new ATOM 0 HB3 GLU A 130 10.679 26.665 -13.757 1.00 1.69 H new ATOM 0 HG2 GLU A 130 10.713 26.214 -16.313 1.00 2.05 H new ATOM 0 HG3 GLU A 130 8.973 26.033 -16.212 1.00 2.05 H new ATOM 643 N ASP A 131 9.397 23.675 -16.284 1.00 1.18 N ATOM 644 CA ASP A 131 8.438 22.781 -17.023 1.00 1.19 C ATOM 645 C ASP A 131 8.809 21.304 -16.815 1.00 1.07 C ATOM 646 O ASP A 131 7.964 20.432 -16.882 1.00 1.14 O ATOM 647 CB ASP A 131 8.527 23.180 -18.507 1.00 1.44 C ATOM 648 CG ASP A 131 9.977 23.165 -18.992 1.00 1.48 C ATOM 649 OD1 ASP A 131 10.466 22.095 -19.314 1.00 2.07 O ATOM 650 OD2 ASP A 131 10.571 24.229 -19.040 1.00 1.91 O ATOM 0 H ASP A 131 9.973 24.277 -16.872 1.00 1.18 H new ATOM 0 HA ASP A 131 7.419 22.898 -16.655 1.00 1.19 H new ATOM 0 HB2 ASP A 131 7.931 22.493 -19.108 1.00 1.44 H new ATOM 0 HB3 ASP A 131 8.103 24.175 -18.646 1.00 1.44 H new ATOM 655 N ASP A 132 10.058 21.023 -16.540 1.00 1.00 N ATOM 656 CA ASP A 132 10.480 19.610 -16.299 1.00 1.03 C ATOM 657 C ASP A 132 9.868 19.098 -14.984 1.00 0.88 C ATOM 658 O ASP A 132 9.572 17.927 -14.843 1.00 1.03 O ATOM 659 CB ASP A 132 12.006 19.668 -16.195 1.00 1.13 C ATOM 660 CG ASP A 132 12.635 19.139 -17.483 1.00 1.39 C ATOM 661 OD1 ASP A 132 12.553 17.945 -17.714 1.00 1.99 O ATOM 662 OD2 ASP A 132 13.198 19.937 -18.212 1.00 1.79 O ATOM 0 H ASP A 132 10.805 21.714 -16.472 1.00 1.00 H new ATOM 0 HA ASP A 132 10.151 18.935 -17.089 1.00 1.03 H new ATOM 0 HB2 ASP A 132 12.328 20.694 -16.017 1.00 1.13 H new ATOM 0 HB3 ASP A 132 12.344 19.076 -15.345 1.00 1.13 H new ATOM 667 N ILE A 133 9.668 19.977 -14.026 1.00 0.75 N ATOM 668 CA ILE A 133 9.064 19.556 -12.717 1.00 0.77 C ATOM 669 C ILE A 133 7.668 18.946 -12.938 1.00 0.70 C ATOM 670 O ILE A 133 7.222 18.112 -12.170 1.00 0.82 O ATOM 671 CB ILE A 133 8.951 20.841 -11.880 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.330 21.508 -11.717 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.389 20.497 -10.497 1.00 1.06 C ATOM 674 CD1 ILE A 133 11.364 20.483 -11.244 1.00 1.00 C ATOM 0 H ILE A 133 9.897 20.969 -14.094 1.00 0.75 H new ATOM 0 HA ILE A 133 9.672 18.799 -12.222 1.00 0.77 H new ATOM 0 HB ILE A 133 8.285 21.535 -12.394 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.646 21.942 -12.666 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.263 22.325 -10.999 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.308 21.406 -9.901 1.00 1.06 H new ATOM 0 HG22 ILE A 133 7.403 20.046 -10.607 1.00 1.06 H new ATOM 0 HG23 ILE A 133 9.056 19.794 -9.998 1.00 1.06 H new ATOM 0 HD11 ILE A 133 12.334 20.969 -11.133 1.00 1.00 H new ATOM 0 HD12 ILE A 133 11.054 20.069 -10.284 1.00 1.00 H new ATOM 0 HD13 ILE A 133 11.442 19.680 -11.977 1.00 1.00 H new ATOM 686 N GLU A 134 6.977 19.359 -13.978 1.00 0.61 N ATOM 687 CA GLU A 134 5.610 18.809 -14.255 1.00 0.64 C ATOM 688 C GLU A 134 5.641 17.280 -14.410 1.00 0.64 C ATOM 689 O GLU A 134 4.628 16.630 -14.259 1.00 0.76 O ATOM 690 CB GLU A 134 5.169 19.468 -15.566 1.00 0.73 C ATOM 691 CG GLU A 134 4.705 20.903 -15.290 1.00 0.89 C ATOM 692 CD GLU A 134 3.215 20.905 -14.935 1.00 1.21 C ATOM 693 OE1 GLU A 134 2.887 20.475 -13.842 1.00 1.87 O ATOM 694 OE2 GLU A 134 2.429 21.339 -15.762 1.00 1.86 O ATOM 0 H GLU A 134 7.303 20.055 -14.648 1.00 0.61 H new ATOM 0 HA GLU A 134 4.925 19.019 -13.434 1.00 0.64 H new ATOM 0 HB2 GLU A 134 5.994 19.473 -16.278 1.00 0.73 H new ATOM 0 HB3 GLU A 134 4.360 18.894 -16.019 1.00 0.73 H new ATOM 0 HG2 GLU A 134 5.284 21.332 -14.472 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.881 21.527 -16.166 1.00 0.89 H new ATOM 701 N GLU A 135 6.787 16.697 -14.700 1.00 0.59 N ATOM 702 CA GLU A 135 6.865 15.207 -14.852 1.00 0.67 C ATOM 703 C GLU A 135 6.271 14.518 -13.615 1.00 0.74 C ATOM 704 O GLU A 135 5.511 13.575 -13.727 1.00 0.91 O ATOM 705 CB GLU A 135 8.361 14.895 -14.991 1.00 0.72 C ATOM 706 CG GLU A 135 8.577 13.387 -15.201 1.00 1.16 C ATOM 707 CD GLU A 135 7.603 12.845 -16.256 1.00 1.56 C ATOM 708 OE1 GLU A 135 7.573 13.387 -17.349 1.00 2.29 O ATOM 709 OE2 GLU A 135 6.906 11.894 -15.950 1.00 2.03 O ATOM 0 H GLU A 135 7.669 17.191 -14.837 1.00 0.59 H new ATOM 0 HA GLU A 135 6.300 14.847 -15.712 1.00 0.67 H new ATOM 0 HB2 GLU A 135 8.778 15.449 -15.832 1.00 0.72 H new ATOM 0 HB3 GLU A 135 8.892 15.224 -14.098 1.00 0.72 H new ATOM 0 HG2 GLU A 135 9.604 13.201 -15.516 1.00 1.16 H new ATOM 0 HG3 GLU A 135 8.432 12.858 -14.259 1.00 1.16 H new ATOM 716 N LEU A 136 6.591 14.997 -12.440 1.00 0.73 N ATOM 717 CA LEU A 136 6.017 14.382 -11.206 1.00 0.87 C ATOM 718 C LEU A 136 4.720 15.115 -10.831 1.00 0.81 C ATOM 719 O LEU A 136 3.721 14.494 -10.525 1.00 1.00 O ATOM 720 CB LEU A 136 7.084 14.552 -10.110 1.00 0.99 C ATOM 721 CG LEU A 136 8.312 13.648 -10.369 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.727 12.958 -9.065 1.00 1.74 C ATOM 723 CD2 LEU A 136 7.998 12.575 -11.420 1.00 1.75 C ATOM 0 H LEU A 136 7.221 15.783 -12.282 1.00 0.73 H new ATOM 0 HA LEU A 136 5.771 13.329 -11.343 1.00 0.87 H new ATOM 0 HB2 LEU A 136 7.401 15.594 -10.068 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.651 14.310 -9.139 1.00 0.99 H new ATOM 0 HG LEU A 136 9.122 14.277 -10.740 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.592 12.321 -9.250 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.983 13.711 -8.320 1.00 1.74 H new ATOM 0 HD13 LEU A 136 7.901 12.350 -8.696 1.00 1.74 H new ATOM 0 HD21 LEU A 136 8.880 11.955 -11.581 1.00 1.75 H new ATOM 0 HD22 LEU A 136 7.175 11.952 -11.069 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.716 13.055 -12.357 1.00 1.75 H new ATOM 735 N MET A 137 4.731 16.434 -10.858 1.00 0.67 N ATOM 736 CA MET A 137 3.500 17.221 -10.507 1.00 0.71 C ATOM 737 C MET A 137 2.273 16.732 -11.300 1.00 0.68 C ATOM 738 O MET A 137 1.178 16.697 -10.777 1.00 0.70 O ATOM 739 CB MET A 137 3.831 18.675 -10.866 1.00 0.82 C ATOM 740 CG MET A 137 3.310 19.605 -9.764 1.00 0.99 C ATOM 741 SD MET A 137 1.561 19.970 -10.056 1.00 0.94 S ATOM 742 CE MET A 137 1.114 20.391 -8.352 1.00 0.53 C ATOM 0 H MET A 137 5.543 16.998 -11.109 1.00 0.67 H new ATOM 0 HA MET A 137 3.244 17.106 -9.454 1.00 0.71 H new ATOM 0 HB2 MET A 137 4.908 18.796 -10.980 1.00 0.82 H new ATOM 0 HB3 MET A 137 3.378 18.937 -11.822 1.00 0.82 H new ATOM 0 HG2 MET A 137 3.436 19.136 -8.788 1.00 0.99 H new ATOM 0 HG3 MET A 137 3.888 20.529 -9.751 1.00 0.99 H new ATOM 0 HE1 MET A 137 0.292 21.107 -8.358 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.806 19.489 -7.823 1.00 0.53 H new ATOM 0 HE3 MET A 137 1.975 20.831 -7.848 1.00 0.53 H new ATOM 752 N LYS A 138 2.437 16.350 -12.548 1.00 0.76 N ATOM 753 CA LYS A 138 1.255 15.859 -13.340 1.00 0.82 C ATOM 754 C LYS A 138 0.632 14.627 -12.664 1.00 0.72 C ATOM 755 O LYS A 138 -0.575 14.498 -12.594 1.00 0.84 O ATOM 756 CB LYS A 138 1.779 15.509 -14.744 1.00 0.99 C ATOM 757 CG LYS A 138 2.942 14.509 -14.660 1.00 1.57 C ATOM 758 CD LYS A 138 2.462 13.105 -15.049 1.00 2.09 C ATOM 759 CE LYS A 138 3.514 12.429 -15.938 1.00 2.74 C ATOM 760 NZ LYS A 138 4.257 11.502 -15.036 1.00 3.43 N1+ ATOM 0 H LYS A 138 3.326 16.356 -13.049 1.00 0.76 H new ATOM 0 HA LYS A 138 0.476 16.619 -13.398 1.00 0.82 H new ATOM 0 HB2 LYS A 138 0.972 15.086 -15.343 1.00 0.99 H new ATOM 0 HB3 LYS A 138 2.110 16.416 -15.250 1.00 0.99 H new ATOM 0 HG2 LYS A 138 3.749 14.822 -15.323 1.00 1.57 H new ATOM 0 HG3 LYS A 138 3.347 14.495 -13.648 1.00 1.57 H new ATOM 0 HD2 LYS A 138 2.290 12.508 -14.154 1.00 2.09 H new ATOM 0 HD3 LYS A 138 1.511 13.168 -15.578 1.00 2.09 H new ATOM 0 HE2 LYS A 138 3.045 11.887 -16.759 1.00 2.74 H new ATOM 0 HE3 LYS A 138 4.184 13.165 -16.383 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 4.959 10.969 -15.588 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 4.742 12.051 -14.297 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 3.589 10.839 -14.593 1.00 3.43 H new ATOM 774 N ASP A 139 1.442 13.733 -12.146 1.00 0.75 N ATOM 775 CA ASP A 139 0.887 12.530 -11.456 1.00 0.78 C ATOM 776 C ASP A 139 0.515 12.893 -10.011 1.00 0.70 C ATOM 777 O ASP A 139 -0.428 12.361 -9.456 1.00 0.81 O ATOM 778 CB ASP A 139 2.003 11.478 -11.494 1.00 0.97 C ATOM 779 CG ASP A 139 1.630 10.366 -12.478 1.00 1.16 C ATOM 780 OD1 ASP A 139 0.660 9.675 -12.220 1.00 1.66 O ATOM 781 OD2 ASP A 139 2.323 10.221 -13.469 1.00 1.69 O ATOM 0 H ASP A 139 2.460 13.786 -12.172 1.00 0.75 H new ATOM 0 HA ASP A 139 -0.017 12.154 -11.935 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.943 11.942 -11.793 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.156 11.060 -10.499 1.00 0.97 H new ATOM 786 N GLY A 140 1.239 13.811 -9.405 1.00 0.64 N ATOM 787 CA GLY A 140 0.920 14.233 -8.006 1.00 0.62 C ATOM 788 C GLY A 140 -0.377 15.044 -8.020 1.00 0.57 C ATOM 789 O GLY A 140 -1.281 14.798 -7.248 1.00 0.65 O ATOM 0 H GLY A 140 2.039 14.285 -9.824 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.812 13.359 -7.363 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.735 14.831 -7.597 1.00 0.62 H new ATOM 793 N ASP A 141 -0.471 16.002 -8.907 1.00 0.56 N ATOM 794 CA ASP A 141 -1.701 16.839 -9.006 1.00 0.56 C ATOM 795 C ASP A 141 -2.255 16.789 -10.437 1.00 0.58 C ATOM 796 O ASP A 141 -2.009 17.672 -11.239 1.00 0.64 O ATOM 797 CB ASP A 141 -1.243 18.260 -8.653 1.00 0.60 C ATOM 798 CG ASP A 141 -2.430 19.102 -8.171 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.525 18.914 -8.676 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.222 19.926 -7.301 1.00 1.23 O ATOM 0 H ASP A 141 0.262 16.241 -9.574 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.495 16.493 -8.344 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.479 18.220 -7.877 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -0.787 18.729 -9.525 1.00 0.60 H new ATOM 805 N LYS A 142 -3.005 15.766 -10.763 1.00 0.62 N ATOM 806 CA LYS A 142 -3.578 15.670 -12.144 1.00 0.70 C ATOM 807 C LYS A 142 -4.581 16.808 -12.380 1.00 0.79 C ATOM 808 O LYS A 142 -4.769 17.253 -13.497 1.00 0.92 O ATOM 809 CB LYS A 142 -4.278 14.311 -12.215 1.00 0.79 C ATOM 810 CG LYS A 142 -3.584 13.435 -13.262 1.00 0.88 C ATOM 811 CD LYS A 142 -3.511 11.992 -12.756 1.00 1.37 C ATOM 812 CE LYS A 142 -2.593 11.925 -11.532 1.00 1.79 C ATOM 813 NZ LYS A 142 -1.957 10.580 -11.595 1.00 2.44 N1+ ATOM 0 H LYS A 142 -3.245 14.997 -10.138 1.00 0.62 H new ATOM 0 HA LYS A 142 -2.806 15.758 -12.909 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.249 13.824 -11.240 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.328 14.444 -12.474 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -4.131 13.474 -14.204 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -2.581 13.813 -13.460 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -4.508 11.636 -12.496 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -3.134 11.338 -13.543 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -1.844 12.716 -11.558 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -3.158 12.051 -10.608 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -1.871 10.191 -10.634 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -2.543 9.946 -12.174 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -1.012 10.663 -12.021 1.00 2.44 H new ATOM 827 N ASN A 143 -5.211 17.294 -11.335 1.00 0.80 N ATOM 828 CA ASN A 143 -6.185 18.421 -11.500 1.00 0.95 C ATOM 829 C ASN A 143 -5.433 19.706 -11.863 1.00 0.92 C ATOM 830 O ASN A 143 -5.977 20.595 -12.488 1.00 1.08 O ATOM 831 CB ASN A 143 -6.857 18.596 -10.134 1.00 1.07 C ATOM 832 CG ASN A 143 -7.394 17.260 -9.616 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.085 16.552 -10.319 1.00 1.95 O ATOM 834 ND2 ASN A 143 -7.104 16.886 -8.401 1.00 1.70 N ATOM 0 H ASN A 143 -5.093 16.960 -10.378 1.00 0.80 H new ATOM 0 HA ASN A 143 -6.909 18.214 -12.288 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -6.141 19.006 -9.422 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -7.673 19.314 -10.215 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -7.458 15.999 -8.042 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -6.523 17.480 -7.809 1.00 1.70 H new ATOM 841 N ASN A 144 -4.185 19.807 -11.454 1.00 0.86 N ATOM 842 CA ASN A 144 -3.367 21.026 -11.743 1.00 0.93 C ATOM 843 C ASN A 144 -3.956 22.253 -11.032 1.00 1.03 C ATOM 844 O ASN A 144 -3.785 23.375 -11.476 1.00 1.71 O ATOM 845 CB ASN A 144 -3.401 21.204 -13.266 1.00 1.08 C ATOM 846 CG ASN A 144 -2.089 21.838 -13.733 1.00 1.49 C ATOM 847 OD1 ASN A 144 -2.074 22.960 -14.197 1.00 2.18 O ATOM 848 ND2 ASN A 144 -0.978 21.163 -13.631 1.00 1.97 N ATOM 0 H ASN A 144 -3.696 19.084 -10.926 1.00 0.86 H new ATOM 0 HA ASN A 144 -2.344 20.918 -11.381 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -3.545 20.239 -13.753 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -4.244 21.834 -13.551 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -0.099 21.578 -13.941 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -0.988 20.220 -13.242 1.00 1.97 H new ATOM 855 N ASP A 145 -4.631 22.057 -9.921 1.00 0.88 N ATOM 856 CA ASP A 145 -5.203 23.230 -9.184 1.00 0.92 C ATOM 857 C ASP A 145 -4.068 24.100 -8.610 1.00 0.91 C ATOM 858 O ASP A 145 -4.280 25.248 -8.265 1.00 1.07 O ATOM 859 CB ASP A 145 -6.111 22.674 -8.065 1.00 0.93 C ATOM 860 CG ASP A 145 -5.485 21.453 -7.383 1.00 1.40 C ATOM 861 OD1 ASP A 145 -4.604 21.634 -6.563 1.00 2.06 O ATOM 862 OD2 ASP A 145 -5.915 20.355 -7.682 1.00 1.89 O ATOM 0 H ASP A 145 -4.809 21.146 -9.498 1.00 0.88 H new ATOM 0 HA ASP A 145 -5.786 23.866 -9.850 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -6.293 23.452 -7.323 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.079 22.400 -8.484 1.00 0.93 H new ATOM 867 N GLY A 146 -2.862 23.575 -8.525 1.00 0.84 N ATOM 868 CA GLY A 146 -1.723 24.390 -8.002 1.00 0.92 C ATOM 869 C GLY A 146 -1.231 23.860 -6.651 1.00 0.66 C ATOM 870 O GLY A 146 -0.119 24.141 -6.249 1.00 0.74 O ATOM 0 H GLY A 146 -2.623 22.621 -8.795 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -0.903 24.376 -8.720 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -2.036 25.429 -7.895 1.00 0.92 H new ATOM 874 N ARG A 147 -2.040 23.116 -5.934 1.00 0.56 N ATOM 875 CA ARG A 147 -1.586 22.610 -4.601 1.00 0.54 C ATOM 876 C ARG A 147 -1.770 21.092 -4.471 1.00 0.46 C ATOM 877 O ARG A 147 -2.842 20.556 -4.706 1.00 0.45 O ATOM 878 CB ARG A 147 -2.470 23.337 -3.584 1.00 0.77 C ATOM 879 CG ARG A 147 -2.225 24.848 -3.662 1.00 1.39 C ATOM 880 CD ARG A 147 -3.268 25.584 -2.811 1.00 1.79 C ATOM 881 NE ARG A 147 -4.587 25.289 -3.453 1.00 2.55 N ATOM 882 CZ ARG A 147 -4.831 25.677 -4.675 1.00 2.87 C ATOM 883 NH1 ARG A 147 -4.910 26.947 -4.959 1.00 3.37 N1+ ATOM 884 NH2 ARG A 147 -4.993 24.792 -5.614 1.00 3.10 N ATOM 0 H ARG A 147 -2.983 22.841 -6.210 1.00 0.56 H new ATOM 0 HA ARG A 147 -0.523 22.797 -4.450 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -3.520 23.120 -3.781 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -2.254 22.977 -2.578 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -1.221 25.082 -3.308 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -2.284 25.183 -4.698 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -3.248 25.237 -1.778 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -3.072 26.656 -2.791 1.00 1.79 H new ATOM 0 HE ARG A 147 -5.301 24.781 -2.931 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -4.781 27.643 -4.224 1.00 3.37 H new ATOM 0 HH12 ARG A 147 -5.101 27.245 -5.916 1.00 3.37 H new ATOM 0 HH21 ARG A 147 -4.929 23.798 -5.394 1.00 3.10 H new ATOM 0 HH22 ARG A 147 -5.184 25.092 -6.570 1.00 3.10 H new ATOM 898 N ILE A 148 -0.734 20.400 -4.068 1.00 0.49 N ATOM 899 CA ILE A 148 -0.840 18.922 -3.891 1.00 0.44 C ATOM 900 C ILE A 148 -1.336 18.611 -2.472 1.00 0.46 C ATOM 901 O ILE A 148 -0.740 19.021 -1.492 1.00 0.63 O ATOM 902 CB ILE A 148 0.575 18.373 -4.119 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.968 18.566 -5.582 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.614 16.877 -3.807 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.473 18.349 -5.736 1.00 0.63 C ATOM 0 H ILE A 148 0.181 20.797 -3.854 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.547 18.468 -4.585 1.00 0.44 H new ATOM 0 HB ILE A 148 1.265 18.907 -3.465 1.00 0.46 H new ATOM 0 HG12 ILE A 148 0.422 17.864 -6.212 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.698 19.569 -5.913 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.622 16.497 -3.972 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.331 16.715 -2.767 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.083 16.351 -4.459 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.755 18.486 -6.780 1.00 0.63 H new ATOM 0 HD12 ILE A 148 3.010 19.068 -5.117 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.729 17.337 -5.421 1.00 0.63 H new ATOM 917 N ASP A 149 -2.427 17.902 -2.364 1.00 0.48 N ATOM 918 CA ASP A 149 -2.986 17.567 -1.014 1.00 0.53 C ATOM 919 C ASP A 149 -2.667 16.112 -0.641 1.00 0.53 C ATOM 920 O ASP A 149 -1.988 15.410 -1.367 1.00 0.63 O ATOM 921 CB ASP A 149 -4.506 17.787 -1.130 1.00 0.58 C ATOM 922 CG ASP A 149 -5.037 17.187 -2.436 1.00 1.05 C ATOM 923 OD1 ASP A 149 -5.264 15.991 -2.468 1.00 1.65 O ATOM 924 OD2 ASP A 149 -5.194 17.939 -3.386 1.00 1.84 O ATOM 0 H ASP A 149 -2.960 17.537 -3.153 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.552 18.188 -0.231 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -5.012 17.328 -0.280 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.729 18.853 -1.096 1.00 0.58 H new ATOM 929 N TYR A 150 -3.149 15.661 0.492 1.00 0.58 N ATOM 930 CA TYR A 150 -2.873 14.254 0.926 1.00 0.60 C ATOM 931 C TYR A 150 -3.670 13.249 0.081 1.00 0.59 C ATOM 932 O TYR A 150 -3.187 12.173 -0.221 1.00 0.63 O ATOM 933 CB TYR A 150 -3.315 14.187 2.391 1.00 0.73 C ATOM 934 CG TYR A 150 -2.338 13.334 3.166 1.00 0.72 C ATOM 935 CD1 TYR A 150 -2.498 11.943 3.201 1.00 1.22 C ATOM 936 CD2 TYR A 150 -1.268 13.932 3.841 1.00 1.15 C ATOM 937 CE1 TYR A 150 -1.589 11.152 3.913 1.00 1.56 C ATOM 938 CE2 TYR A 150 -0.359 13.141 4.554 1.00 1.43 C ATOM 939 CZ TYR A 150 -0.518 11.751 4.590 1.00 1.48 C ATOM 940 OH TYR A 150 0.381 10.972 5.292 1.00 1.96 O ATOM 0 H TYR A 150 -3.722 16.206 1.136 1.00 0.58 H new ATOM 0 HA TYR A 150 -1.821 13.998 0.802 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -3.358 15.190 2.817 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -4.318 13.767 2.462 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -3.323 11.481 2.679 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -1.143 15.004 3.812 1.00 1.15 H new ATOM 0 HE1 TYR A 150 -1.713 10.079 3.941 1.00 1.56 H new ATOM 0 HE2 TYR A 150 0.465 13.604 5.076 1.00 1.43 H new ATOM 0 HH TYR A 150 0.495 11.336 6.195 1.00 1.96 H new ATOM 950 N ASP A 151 -4.882 13.583 -0.301 1.00 0.64 N ATOM 951 CA ASP A 151 -5.701 12.634 -1.124 1.00 0.70 C ATOM 952 C ASP A 151 -4.953 12.255 -2.410 1.00 0.63 C ATOM 953 O ASP A 151 -4.831 11.091 -2.741 1.00 0.77 O ATOM 954 CB ASP A 151 -6.994 13.388 -1.445 1.00 0.79 C ATOM 955 CG ASP A 151 -8.013 13.134 -0.335 1.00 1.24 C ATOM 956 OD1 ASP A 151 -7.995 13.871 0.637 1.00 1.90 O ATOM 957 OD2 ASP A 151 -8.788 12.202 -0.470 1.00 1.83 O ATOM 0 H ASP A 151 -5.338 14.468 -0.079 1.00 0.64 H new ATOM 0 HA ASP A 151 -5.901 11.702 -0.595 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.794 14.456 -1.534 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -7.393 13.058 -2.404 1.00 0.79 H new ATOM 962 N GLU A 152 -4.434 13.224 -3.121 1.00 0.54 N ATOM 963 CA GLU A 152 -3.672 12.911 -4.369 1.00 0.56 C ATOM 964 C GLU A 152 -2.269 12.394 -4.011 1.00 0.52 C ATOM 965 O GLU A 152 -1.634 11.705 -4.788 1.00 0.65 O ATOM 966 CB GLU A 152 -3.589 14.235 -5.131 1.00 0.60 C ATOM 967 CG GLU A 152 -4.725 14.306 -6.157 1.00 0.77 C ATOM 968 CD GLU A 152 -5.051 15.767 -6.472 1.00 0.72 C ATOM 969 OE1 GLU A 152 -5.835 16.350 -5.748 1.00 1.17 O ATOM 970 OE2 GLU A 152 -4.517 16.278 -7.441 1.00 1.40 O ATOM 0 H GLU A 152 -4.504 14.216 -2.893 1.00 0.54 H new ATOM 0 HA GLU A 152 -4.152 12.136 -4.967 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.659 15.072 -4.436 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.625 14.318 -5.633 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -4.436 13.784 -7.069 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.610 13.802 -5.768 1.00 0.77 H new ATOM 977 N PHE A 153 -1.790 12.718 -2.830 1.00 0.46 N ATOM 978 CA PHE A 153 -0.436 12.248 -2.392 1.00 0.46 C ATOM 979 C PHE A 153 -0.375 10.715 -2.394 1.00 0.50 C ATOM 980 O PHE A 153 0.602 10.126 -2.818 1.00 0.64 O ATOM 981 CB PHE A 153 -0.281 12.792 -0.968 1.00 0.49 C ATOM 982 CG PHE A 153 1.180 12.852 -0.595 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.037 13.724 -1.273 1.00 0.52 C ATOM 984 CD2 PHE A 153 1.676 12.040 0.431 1.00 0.62 C ATOM 985 CE1 PHE A 153 3.390 13.784 -0.926 1.00 0.61 C ATOM 986 CE2 PHE A 153 3.030 12.101 0.777 1.00 0.73 C ATOM 987 CZ PHE A 153 3.888 12.973 0.098 1.00 0.68 C ATOM 0 H PHE A 153 -2.284 13.292 -2.147 1.00 0.46 H new ATOM 0 HA PHE A 153 0.358 12.592 -3.054 1.00 0.46 H new ATOM 0 HB2 PHE A 153 -0.724 13.786 -0.899 1.00 0.49 H new ATOM 0 HB3 PHE A 153 -0.818 12.155 -0.266 1.00 0.49 H new ATOM 0 HD1 PHE A 153 1.654 14.351 -2.065 1.00 0.52 H new ATOM 0 HD2 PHE A 153 1.014 11.367 0.955 1.00 0.62 H new ATOM 0 HE1 PHE A 153 4.052 14.458 -1.450 1.00 0.61 H new ATOM 0 HE2 PHE A 153 3.413 11.475 1.569 1.00 0.73 H new ATOM 0 HZ PHE A 153 4.934 13.019 0.365 1.00 0.68 H new ATOM 997 N LEU A 154 -1.414 10.070 -1.927 1.00 0.53 N ATOM 998 CA LEU A 154 -1.433 8.572 -1.899 1.00 0.62 C ATOM 999 C LEU A 154 -1.406 8.008 -3.326 1.00 0.65 C ATOM 1000 O LEU A 154 -0.777 7.001 -3.594 1.00 0.83 O ATOM 1001 CB LEU A 154 -2.756 8.207 -1.213 1.00 0.75 C ATOM 1002 CG LEU A 154 -2.524 7.945 0.278 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -1.371 6.953 0.461 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -2.182 9.261 0.979 1.00 1.20 C ATOM 0 H LEU A 154 -2.255 10.517 -1.562 1.00 0.53 H new ATOM 0 HA LEU A 154 -0.568 8.162 -1.378 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -3.475 9.016 -1.340 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -3.186 7.322 -1.683 1.00 0.75 H new ATOM 0 HG LEU A 154 -3.430 7.523 0.713 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -1.212 6.772 1.524 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -1.617 6.014 -0.034 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -0.462 7.367 0.024 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -2.017 9.076 2.040 1.00 1.20 H new ATOM 0 HD22 LEU A 154 -1.278 9.683 0.539 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -3.007 9.963 0.857 1.00 1.20 H new ATOM 1016 N GLU A 155 -2.091 8.654 -4.237 1.00 0.69 N ATOM 1017 CA GLU A 155 -2.127 8.174 -5.654 1.00 0.81 C ATOM 1018 C GLU A 155 -0.752 8.331 -6.324 1.00 0.76 C ATOM 1019 O GLU A 155 -0.325 7.482 -7.082 1.00 0.90 O ATOM 1020 CB GLU A 155 -3.169 9.068 -6.334 1.00 0.97 C ATOM 1021 CG GLU A 155 -3.795 8.330 -7.520 1.00 1.41 C ATOM 1022 CD GLU A 155 -2.806 8.285 -8.687 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -2.397 9.344 -9.135 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -2.470 7.194 -9.113 1.00 2.77 O ATOM 0 H GLU A 155 -2.631 9.500 -4.058 1.00 0.69 H new ATOM 0 HA GLU A 155 -2.378 7.116 -5.725 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -3.943 9.348 -5.619 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.701 9.992 -6.675 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -4.069 7.317 -7.225 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -4.712 8.832 -7.828 1.00 1.41 H new ATOM 1031 N PHE A 156 -0.058 9.411 -6.055 1.00 0.66 N ATOM 1032 CA PHE A 156 1.284 9.622 -6.686 1.00 0.77 C ATOM 1033 C PHE A 156 2.303 8.573 -6.210 1.00 0.71 C ATOM 1034 O PHE A 156 3.127 8.117 -6.981 1.00 0.88 O ATOM 1035 CB PHE A 156 1.728 11.023 -6.255 1.00 0.84 C ATOM 1036 CG PHE A 156 3.042 11.344 -6.925 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.093 11.524 -8.310 1.00 1.49 C ATOM 1038 CD2 PHE A 156 4.211 11.448 -6.165 1.00 1.09 C ATOM 1039 CE1 PHE A 156 4.311 11.805 -8.937 1.00 1.72 C ATOM 1040 CE2 PHE A 156 5.429 11.731 -6.791 1.00 1.31 C ATOM 1041 CZ PHE A 156 5.479 11.911 -8.177 1.00 1.53 C ATOM 0 H PHE A 156 -0.362 10.155 -5.427 1.00 0.66 H new ATOM 0 HA PHE A 156 1.223 9.524 -7.770 1.00 0.77 H new ATOM 0 HB2 PHE A 156 0.974 11.760 -6.531 1.00 0.84 H new ATOM 0 HB3 PHE A 156 1.836 11.068 -5.171 1.00 0.84 H new ATOM 0 HD1 PHE A 156 2.190 11.446 -8.897 1.00 1.49 H new ATOM 0 HD2 PHE A 156 4.173 11.310 -5.095 1.00 1.09 H new ATOM 0 HE1 PHE A 156 4.349 11.940 -10.008 1.00 1.72 H new ATOM 0 HE2 PHE A 156 6.332 11.811 -6.204 1.00 1.31 H new ATOM 0 HZ PHE A 156 6.420 12.132 -8.660 1.00 1.53 H new ATOM 1051 N MET A 157 2.268 8.198 -4.951 1.00 0.61 N ATOM 1052 CA MET A 157 3.258 7.192 -4.435 1.00 0.69 C ATOM 1053 C MET A 157 3.096 5.811 -5.103 1.00 0.83 C ATOM 1054 O MET A 157 3.912 4.933 -4.897 1.00 1.17 O ATOM 1055 CB MET A 157 3.002 7.092 -2.928 1.00 0.84 C ATOM 1056 CG MET A 157 3.889 8.099 -2.186 1.00 0.92 C ATOM 1057 SD MET A 157 5.616 7.873 -2.690 1.00 1.56 S ATOM 1058 CE MET A 157 6.356 7.938 -1.039 1.00 0.90 C ATOM 0 H MET A 157 1.601 8.542 -4.261 1.00 0.61 H new ATOM 0 HA MET A 157 4.276 7.510 -4.662 1.00 0.69 H new ATOM 0 HB2 MET A 157 1.952 7.290 -2.714 1.00 0.84 H new ATOM 0 HB3 MET A 157 3.213 6.081 -2.580 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.565 9.116 -2.407 1.00 0.92 H new ATOM 0 HG3 MET A 157 3.792 7.960 -1.109 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.436 7.817 -1.119 1.00 0.90 H new ATOM 0 HE2 MET A 157 6.132 8.900 -0.577 1.00 0.90 H new ATOM 0 HE3 MET A 157 5.946 7.136 -0.425 1.00 0.90 H new ATOM 1068 N LYS A 158 2.073 5.608 -5.906 1.00 0.86 N ATOM 1069 CA LYS A 158 1.902 4.277 -6.583 1.00 1.07 C ATOM 1070 C LYS A 158 3.146 3.935 -7.431 1.00 1.36 C ATOM 1071 O LYS A 158 3.414 2.781 -7.709 1.00 1.73 O ATOM 1072 CB LYS A 158 0.635 4.425 -7.455 1.00 1.28 C ATOM 1073 CG LYS A 158 0.993 4.582 -8.943 1.00 1.66 C ATOM 1074 CD LYS A 158 1.500 6.004 -9.208 1.00 2.24 C ATOM 1075 CE LYS A 158 0.757 6.607 -10.403 1.00 2.85 C ATOM 1076 NZ LYS A 158 0.326 7.957 -9.946 1.00 3.52 N1+ ATOM 0 H LYS A 158 1.355 6.300 -6.121 1.00 0.86 H new ATOM 0 HA LYS A 158 1.795 3.460 -5.870 1.00 1.07 H new ATOM 0 HB2 LYS A 158 -0.003 3.551 -7.323 1.00 1.28 H new ATOM 0 HB3 LYS A 158 0.062 5.291 -7.124 1.00 1.28 H new ATOM 0 HG2 LYS A 158 1.757 3.856 -9.221 1.00 1.66 H new ATOM 0 HG3 LYS A 158 0.118 4.377 -9.560 1.00 1.66 H new ATOM 0 HD2 LYS A 158 1.349 6.624 -8.324 1.00 2.24 H new ATOM 0 HD3 LYS A 158 2.572 5.986 -9.406 1.00 2.24 H new ATOM 0 HE2 LYS A 158 1.404 6.674 -11.277 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -0.099 5.994 -10.686 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -0.344 8.358 -10.633 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -0.136 7.878 -9.017 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 1.156 8.579 -9.868 1.00 3.52 H new