USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 495 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 98 SER OG : rot 180:sc= -0.39 USER MOD Single : A 103 MET CE :methyl 166:sc= 0 (180deg=-0.33) USER MOD Single : A 106 LYS NZ :NH3+ 156:sc= -0.514 (180deg=-2.04!) USER MOD Single : A 107 ASN : amide:sc= -0.343 K(o=-0.34,f=-2.3!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 170:sc= 0.858 (180deg=0.707) USER MOD Single : A 120 MET CE :methyl -141:sc= -1.08 (180deg=-1.89!) USER MOD Single : A 122 GLN : amide:sc= -0.222 K(o=-0.22,f=-1.3) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot -49:sc= 0.373 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -134:sc= -2.85 (180deg=-5.06) USER MOD Single : A 138 LYS NZ :NH3+ 150:sc= 0.302 (180deg=-0.035) USER MOD Single : A 142 LYS NZ :NH3+ -158:sc= 1.71 (180deg=0.721) USER MOD Single : A 143 ASN : amide:sc= -0.026 X(o=-0.026,f=-0.0054) USER MOD Single : A 144 ASN : amide:sc= 0.452 K(o=0.45,f=-0.056) USER MOD Single : A 150 TYR OH : rot 91:sc= 0.404 USER MOD Single : A 157 MET CE :methyl -138:sc= -1.16 (180deg=-2.42!) USER MOD Single : A 158 LYS NZ :NH3+ -153:sc= 0.755 (180deg=0.198) USER MOD ----------------------------------------------------------------- ATOM 60 N GLU A 94 2.498 5.996 5.538 1.00 1.26 N ATOM 61 CA GLU A 94 2.649 7.428 5.927 1.00 1.17 C ATOM 62 C GLU A 94 3.544 7.580 7.167 1.00 1.12 C ATOM 63 O GLU A 94 3.918 8.682 7.523 1.00 1.09 O ATOM 64 CB GLU A 94 1.243 7.956 6.171 1.00 1.33 C ATOM 65 CG GLU A 94 0.925 8.963 5.063 1.00 1.28 C ATOM 66 CD GLU A 94 0.411 8.226 3.823 1.00 1.44 C ATOM 67 OE1 GLU A 94 -0.701 7.728 3.869 1.00 1.94 O ATOM 68 OE2 GLU A 94 1.141 8.177 2.846 1.00 2.09 O ATOM 0 HA GLU A 94 3.142 8.000 5.141 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.521 7.139 6.164 1.00 1.33 H new ATOM 0 HB3 GLU A 94 1.177 8.431 7.150 1.00 1.33 H new ATOM 0 HG2 GLU A 94 0.176 9.675 5.410 1.00 1.28 H new ATOM 0 HG3 GLU A 94 1.818 9.536 4.813 1.00 1.28 H new ATOM 75 N GLU A 95 3.913 6.492 7.815 1.00 1.19 N ATOM 76 CA GLU A 95 4.811 6.600 9.009 1.00 1.23 C ATOM 77 C GLU A 95 6.037 7.461 8.638 1.00 1.03 C ATOM 78 O GLU A 95 6.383 8.398 9.334 1.00 1.01 O ATOM 79 CB GLU A 95 5.170 5.136 9.369 1.00 1.45 C ATOM 80 CG GLU A 95 6.558 4.723 8.851 1.00 1.90 C ATOM 81 CD GLU A 95 6.410 3.954 7.532 1.00 2.12 C ATOM 82 OE1 GLU A 95 6.078 2.783 7.585 1.00 2.66 O ATOM 83 OE2 GLU A 95 6.633 4.547 6.491 1.00 2.49 O ATOM 0 H GLU A 95 3.631 5.543 7.568 1.00 1.19 H new ATOM 0 HA GLU A 95 4.355 7.090 9.869 1.00 1.23 H new ATOM 0 HB2 GLU A 95 5.139 5.014 10.452 1.00 1.45 H new ATOM 0 HB3 GLU A 95 4.417 4.468 8.951 1.00 1.45 H new ATOM 0 HG2 GLU A 95 7.178 5.607 8.700 1.00 1.90 H new ATOM 0 HG3 GLU A 95 7.063 4.102 9.591 1.00 1.90 H new ATOM 90 N GLU A 96 6.659 7.167 7.520 1.00 1.02 N ATOM 91 CA GLU A 96 7.827 7.971 7.045 1.00 0.94 C ATOM 92 C GLU A 96 7.343 8.997 6.007 1.00 0.79 C ATOM 93 O GLU A 96 7.832 10.109 5.940 1.00 0.82 O ATOM 94 CB GLU A 96 8.780 6.951 6.405 1.00 1.15 C ATOM 95 CG GLU A 96 10.140 7.606 6.135 1.00 1.62 C ATOM 96 CD GLU A 96 10.985 6.687 5.249 1.00 1.99 C ATOM 97 OE1 GLU A 96 11.510 5.713 5.766 1.00 2.18 O ATOM 98 OE2 GLU A 96 11.093 6.969 4.067 1.00 2.78 O ATOM 0 H GLU A 96 6.401 6.392 6.909 1.00 1.02 H new ATOM 0 HA GLU A 96 8.318 8.524 7.846 1.00 0.94 H new ATOM 0 HB2 GLU A 96 8.905 6.093 7.065 1.00 1.15 H new ATOM 0 HB3 GLU A 96 8.355 6.578 5.473 1.00 1.15 H new ATOM 0 HG2 GLU A 96 10.000 8.571 5.647 1.00 1.62 H new ATOM 0 HG3 GLU A 96 10.656 7.797 7.076 1.00 1.62 H new ATOM 105 N LEU A 97 6.384 8.611 5.191 1.00 0.77 N ATOM 106 CA LEU A 97 5.844 9.527 4.130 1.00 0.71 C ATOM 107 C LEU A 97 5.346 10.856 4.718 1.00 0.67 C ATOM 108 O LEU A 97 5.468 11.892 4.092 1.00 0.75 O ATOM 109 CB LEU A 97 4.681 8.754 3.500 1.00 0.80 C ATOM 110 CG LEU A 97 5.126 8.177 2.160 1.00 0.77 C ATOM 111 CD1 LEU A 97 4.740 6.695 2.071 1.00 1.40 C ATOM 112 CD2 LEU A 97 4.456 8.953 1.028 1.00 1.22 C ATOM 0 H LEU A 97 5.948 7.689 5.217 1.00 0.77 H new ATOM 0 HA LEU A 97 6.616 9.793 3.407 1.00 0.71 H new ATOM 0 HB2 LEU A 97 4.359 7.953 4.165 1.00 0.80 H new ATOM 0 HB3 LEU A 97 3.825 9.414 3.359 1.00 0.80 H new ATOM 0 HG LEU A 97 6.209 8.265 2.073 1.00 0.77 H new ATOM 0 HD11 LEU A 97 5.062 6.292 1.111 1.00 1.40 H new ATOM 0 HD12 LEU A 97 5.225 6.144 2.877 1.00 1.40 H new ATOM 0 HD13 LEU A 97 3.658 6.595 2.162 1.00 1.40 H new ATOM 0 HD21 LEU A 97 4.772 8.543 0.069 1.00 1.22 H new ATOM 0 HD22 LEU A 97 3.373 8.868 1.120 1.00 1.22 H new ATOM 0 HD23 LEU A 97 4.744 10.003 1.086 1.00 1.22 H new ATOM 124 N SER A 98 4.787 10.840 5.904 1.00 0.69 N ATOM 125 CA SER A 98 4.285 12.113 6.518 1.00 0.76 C ATOM 126 C SER A 98 5.390 13.184 6.508 1.00 0.72 C ATOM 127 O SER A 98 5.130 14.340 6.240 1.00 0.77 O ATOM 128 CB SER A 98 3.888 11.742 7.948 1.00 0.92 C ATOM 129 OG SER A 98 3.642 12.927 8.697 1.00 1.57 O ATOM 0 H SER A 98 4.656 10.004 6.473 1.00 0.69 H new ATOM 0 HA SER A 98 3.443 12.533 5.967 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.997 11.114 7.938 1.00 0.92 H new ATOM 0 HB3 SER A 98 4.682 11.161 8.418 1.00 0.92 H new ATOM 0 HG SER A 98 3.386 12.688 9.612 1.00 1.57 H new ATOM 135 N ASP A 99 6.620 12.805 6.776 1.00 0.80 N ATOM 136 CA ASP A 99 7.738 13.802 6.759 1.00 0.86 C ATOM 137 C ASP A 99 7.896 14.389 5.350 1.00 0.81 C ATOM 138 O ASP A 99 8.089 15.576 5.183 1.00 0.91 O ATOM 139 CB ASP A 99 8.989 13.017 7.159 1.00 1.02 C ATOM 140 CG ASP A 99 9.294 13.249 8.640 1.00 1.23 C ATOM 141 OD1 ASP A 99 9.579 14.381 8.998 1.00 1.79 O ATOM 142 OD2 ASP A 99 9.235 12.292 9.392 1.00 1.83 O ATOM 0 H ASP A 99 6.896 11.850 7.005 1.00 0.80 H new ATOM 0 HA ASP A 99 7.555 14.637 7.436 1.00 0.86 H new ATOM 0 HB2 ASP A 99 8.838 11.954 6.971 1.00 1.02 H new ATOM 0 HB3 ASP A 99 9.837 13.331 6.550 1.00 1.02 H new ATOM 147 N LEU A 100 7.792 13.566 4.334 1.00 0.75 N ATOM 148 CA LEU A 100 7.913 14.075 2.930 1.00 0.76 C ATOM 149 C LEU A 100 6.836 15.145 2.657 1.00 0.68 C ATOM 150 O LEU A 100 7.008 16.008 1.820 1.00 0.79 O ATOM 151 CB LEU A 100 7.696 12.839 2.046 1.00 0.86 C ATOM 152 CG LEU A 100 8.481 12.985 0.738 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.864 12.342 0.891 1.00 1.41 C ATOM 154 CD2 LEU A 100 7.723 12.289 -0.398 1.00 1.41 C ATOM 0 H LEU A 100 7.628 12.563 4.416 1.00 0.75 H new ATOM 0 HA LEU A 100 8.876 14.547 2.737 1.00 0.76 H new ATOM 0 HB2 LEU A 100 8.019 11.942 2.575 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.634 12.718 1.831 1.00 0.86 H new ATOM 0 HG LEU A 100 8.595 14.044 0.506 1.00 0.79 H new ATOM 0 HD11 LEU A 100 10.419 12.448 -0.041 1.00 1.41 H new ATOM 0 HD12 LEU A 100 10.408 12.836 1.696 1.00 1.41 H new ATOM 0 HD13 LEU A 100 9.749 11.284 1.127 1.00 1.41 H new ATOM 0 HD21 LEU A 100 8.283 12.394 -1.327 1.00 1.41 H new ATOM 0 HD22 LEU A 100 7.606 11.231 -0.163 1.00 1.41 H new ATOM 0 HD23 LEU A 100 6.740 12.746 -0.513 1.00 1.41 H new ATOM 166 N PHE A 101 5.729 15.090 3.359 1.00 0.60 N ATOM 167 CA PHE A 101 4.642 16.097 3.148 1.00 0.59 C ATOM 168 C PHE A 101 4.772 17.283 4.127 1.00 0.60 C ATOM 169 O PHE A 101 4.541 18.417 3.759 1.00 0.72 O ATOM 170 CB PHE A 101 3.345 15.323 3.406 1.00 0.61 C ATOM 171 CG PHE A 101 2.173 16.096 2.856 1.00 0.58 C ATOM 172 CD1 PHE A 101 1.769 15.901 1.531 1.00 0.86 C ATOM 173 CD2 PHE A 101 1.491 17.009 3.669 1.00 0.68 C ATOM 174 CE1 PHE A 101 0.681 16.616 1.020 1.00 0.90 C ATOM 175 CE2 PHE A 101 0.403 17.724 3.159 1.00 0.73 C ATOM 176 CZ PHE A 101 -0.001 17.529 1.833 1.00 0.69 C ATOM 0 H PHE A 101 5.531 14.388 4.072 1.00 0.60 H new ATOM 0 HA PHE A 101 4.680 16.531 2.149 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.397 14.341 2.937 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.215 15.159 4.476 1.00 0.61 H new ATOM 0 HD1 PHE A 101 2.297 15.199 0.903 1.00 0.86 H new ATOM 0 HD2 PHE A 101 1.805 17.161 4.691 1.00 0.68 H new ATOM 0 HE1 PHE A 101 0.367 16.464 -0.002 1.00 0.90 H new ATOM 0 HE2 PHE A 101 -0.125 18.426 3.787 1.00 0.73 H new ATOM 0 HZ PHE A 101 -0.839 18.083 1.437 1.00 0.69 H new ATOM 186 N ARG A 102 5.111 17.028 5.371 1.00 0.67 N ATOM 187 CA ARG A 102 5.216 18.148 6.371 1.00 0.76 C ATOM 188 C ARG A 102 6.611 18.804 6.384 1.00 0.68 C ATOM 189 O ARG A 102 6.742 19.969 6.711 1.00 0.78 O ATOM 190 CB ARG A 102 4.912 17.501 7.734 1.00 0.99 C ATOM 191 CG ARG A 102 6.106 16.656 8.203 1.00 1.30 C ATOM 192 CD ARG A 102 5.609 15.498 9.073 1.00 1.45 C ATOM 193 NE ARG A 102 6.813 15.029 9.817 1.00 2.12 N ATOM 194 CZ ARG A 102 6.680 14.208 10.820 1.00 2.71 C ATOM 195 NH1 ARG A 102 6.512 14.675 12.023 1.00 3.37 N1+ ATOM 196 NH2 ARG A 102 6.710 12.923 10.615 1.00 3.07 N ATOM 0 H ARG A 102 5.319 16.099 5.738 1.00 0.67 H new ATOM 0 HA ARG A 102 4.523 18.951 6.121 1.00 0.76 H new ATOM 0 HB2 ARG A 102 4.694 18.274 8.470 1.00 0.99 H new ATOM 0 HB3 ARG A 102 4.023 16.875 7.657 1.00 0.99 H new ATOM 0 HG2 ARG A 102 6.650 16.269 7.342 1.00 1.30 H new ATOM 0 HG3 ARG A 102 6.802 17.275 8.768 1.00 1.30 H new ATOM 0 HD2 ARG A 102 4.826 15.826 9.756 1.00 1.45 H new ATOM 0 HD3 ARG A 102 5.186 14.700 8.463 1.00 1.45 H new ATOM 0 HE ARG A 102 7.741 15.351 9.541 1.00 2.12 H new ATOM 0 HH11 ARG A 102 6.485 15.683 12.180 1.00 3.37 H new ATOM 0 HH12 ARG A 102 6.408 14.034 12.809 1.00 3.37 H new ATOM 0 HH21 ARG A 102 6.837 12.560 9.670 1.00 3.07 H new ATOM 0 HH22 ARG A 102 6.606 12.279 11.399 1.00 3.07 H new ATOM 210 N MET A 103 7.650 18.074 6.061 1.00 0.71 N ATOM 211 CA MET A 103 9.027 18.670 6.089 1.00 0.75 C ATOM 212 C MET A 103 9.391 19.350 4.755 1.00 0.68 C ATOM 213 O MET A 103 10.384 20.050 4.671 1.00 0.83 O ATOM 214 CB MET A 103 9.962 17.484 6.360 1.00 0.93 C ATOM 215 CG MET A 103 11.383 17.992 6.631 1.00 1.27 C ATOM 216 SD MET A 103 12.321 16.718 7.509 1.00 1.82 S ATOM 217 CE MET A 103 12.410 15.518 6.156 1.00 2.43 C ATOM 0 H MET A 103 7.607 17.094 5.780 1.00 0.71 H new ATOM 0 HA MET A 103 9.104 19.450 6.846 1.00 0.75 H new ATOM 0 HB2 MET A 103 9.601 16.913 7.216 1.00 0.93 H new ATOM 0 HB3 MET A 103 9.965 16.809 5.504 1.00 0.93 H new ATOM 0 HG2 MET A 103 11.877 18.240 5.692 1.00 1.27 H new ATOM 0 HG3 MET A 103 11.347 18.906 7.224 1.00 1.27 H new ATOM 0 HE1 MET A 103 13.155 14.758 6.392 1.00 2.43 H new ATOM 0 HE2 MET A 103 11.437 15.044 6.026 1.00 2.43 H new ATOM 0 HE3 MET A 103 12.691 16.028 5.235 1.00 2.43 H new ATOM 227 N PHE A 104 8.619 19.152 3.710 1.00 0.68 N ATOM 228 CA PHE A 104 8.967 19.793 2.401 1.00 0.79 C ATOM 229 C PHE A 104 8.060 20.989 2.072 1.00 0.71 C ATOM 230 O PHE A 104 8.269 21.661 1.078 1.00 0.88 O ATOM 231 CB PHE A 104 8.811 18.687 1.357 1.00 0.94 C ATOM 232 CG PHE A 104 10.081 17.865 1.308 1.00 1.31 C ATOM 233 CD1 PHE A 104 11.331 18.498 1.310 1.00 2.03 C ATOM 234 CD2 PHE A 104 10.004 16.472 1.264 1.00 1.26 C ATOM 235 CE1 PHE A 104 12.502 17.734 1.270 1.00 2.65 C ATOM 236 CE2 PHE A 104 11.174 15.706 1.225 1.00 1.86 C ATOM 237 CZ PHE A 104 12.424 16.337 1.227 1.00 2.56 C ATOM 0 H PHE A 104 7.774 18.581 3.707 1.00 0.68 H new ATOM 0 HA PHE A 104 9.978 20.201 2.427 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.962 18.051 1.608 1.00 0.94 H new ATOM 0 HB3 PHE A 104 8.607 19.121 0.378 1.00 0.94 H new ATOM 0 HD1 PHE A 104 11.390 19.576 1.342 1.00 2.03 H new ATOM 0 HD2 PHE A 104 9.040 15.985 1.260 1.00 1.26 H new ATOM 0 HE1 PHE A 104 13.466 18.222 1.272 1.00 2.65 H new ATOM 0 HE2 PHE A 104 11.113 14.628 1.193 1.00 1.86 H new ATOM 0 HZ PHE A 104 13.328 15.746 1.195 1.00 2.56 H new ATOM 247 N ASP A 105 7.076 21.285 2.887 1.00 0.61 N ATOM 248 CA ASP A 105 6.207 22.463 2.588 1.00 0.60 C ATOM 249 C ASP A 105 6.952 23.747 2.988 1.00 0.56 C ATOM 250 O ASP A 105 6.713 24.319 4.035 1.00 0.63 O ATOM 251 CB ASP A 105 4.931 22.272 3.427 1.00 0.68 C ATOM 252 CG ASP A 105 3.853 23.295 3.018 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.088 24.068 2.099 1.00 0.84 O ATOM 254 OD2 ASP A 105 2.802 23.290 3.637 1.00 1.45 O ATOM 0 H ASP A 105 6.840 20.769 3.735 1.00 0.61 H new ATOM 0 HA ASP A 105 5.958 22.544 1.530 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.549 21.260 3.292 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.165 22.386 4.485 1.00 0.68 H new ATOM 259 N LYS A 106 7.868 24.189 2.157 1.00 0.59 N ATOM 260 CA LYS A 106 8.654 25.427 2.474 1.00 0.66 C ATOM 261 C LYS A 106 7.725 26.635 2.659 1.00 0.55 C ATOM 262 O LYS A 106 8.048 27.569 3.369 1.00 0.63 O ATOM 263 CB LYS A 106 9.593 25.631 1.273 1.00 0.87 C ATOM 264 CG LYS A 106 8.798 26.106 0.047 1.00 1.21 C ATOM 265 CD LYS A 106 9.762 26.636 -1.021 1.00 1.61 C ATOM 266 CE LYS A 106 9.216 27.946 -1.606 1.00 1.77 C ATOM 267 NZ LYS A 106 9.195 27.744 -3.087 1.00 2.14 N1+ ATOM 0 H LYS A 106 8.106 23.745 1.270 1.00 0.59 H new ATOM 0 HA LYS A 106 9.209 25.326 3.407 1.00 0.66 H new ATOM 0 HB2 LYS A 106 10.360 26.364 1.523 1.00 0.87 H new ATOM 0 HB3 LYS A 106 10.107 24.698 1.042 1.00 0.87 H new ATOM 0 HG2 LYS A 106 8.209 25.283 -0.357 1.00 1.21 H new ATOM 0 HG3 LYS A 106 8.096 26.888 0.337 1.00 1.21 H new ATOM 0 HD2 LYS A 106 10.747 26.804 -0.585 1.00 1.61 H new ATOM 0 HD3 LYS A 106 9.886 25.897 -1.812 1.00 1.61 H new ATOM 0 HE2 LYS A 106 8.217 28.160 -1.225 1.00 1.77 H new ATOM 0 HE3 LYS A 106 9.849 28.791 -1.334 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 8.492 28.380 -3.514 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 10.135 27.954 -3.479 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 8.943 26.757 -3.299 1.00 2.14 H new ATOM 281 N ASN A 107 6.577 26.623 2.027 1.00 0.48 N ATOM 282 CA ASN A 107 5.630 27.768 2.167 1.00 0.50 C ATOM 283 C ASN A 107 4.830 27.647 3.477 1.00 0.58 C ATOM 284 O ASN A 107 4.350 28.629 4.008 1.00 0.70 O ATOM 285 CB ASN A 107 4.716 27.657 0.954 1.00 0.54 C ATOM 286 CG ASN A 107 4.087 29.012 0.631 1.00 0.70 C ATOM 287 OD1 ASN A 107 4.523 30.037 1.115 1.00 1.00 O ATOM 288 ND2 ASN A 107 3.072 29.057 -0.182 1.00 0.78 N ATOM 0 H ASN A 107 6.256 25.868 1.420 1.00 0.48 H new ATOM 0 HA ASN A 107 6.139 28.731 2.208 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.284 27.299 0.095 1.00 0.54 H new ATOM 0 HB3 ASN A 107 3.934 26.923 1.147 1.00 0.54 H new ATOM 0 HD21 ASN A 107 2.643 29.953 -0.413 1.00 0.78 H new ATOM 0 HD22 ASN A 107 2.706 28.196 -0.589 1.00 0.78 H new ATOM 295 N ALA A 108 4.709 26.446 3.999 1.00 0.65 N ATOM 296 CA ALA A 108 3.976 26.217 5.287 1.00 0.84 C ATOM 297 C ALA A 108 2.510 26.686 5.228 1.00 0.78 C ATOM 298 O ALA A 108 2.112 27.597 5.933 1.00 0.96 O ATOM 299 CB ALA A 108 4.760 27.010 6.339 1.00 1.03 C ATOM 0 H ALA A 108 5.095 25.601 3.578 1.00 0.65 H new ATOM 0 HA ALA A 108 3.923 25.153 5.517 1.00 0.84 H new ATOM 0 HB1 ALA A 108 4.284 26.892 7.313 1.00 1.03 H new ATOM 0 HB2 ALA A 108 5.783 26.637 6.388 1.00 1.03 H new ATOM 0 HB3 ALA A 108 4.771 28.065 6.066 1.00 1.03 H new ATOM 305 N ASP A 109 1.693 26.045 4.425 1.00 0.73 N ATOM 306 CA ASP A 109 0.243 26.431 4.365 1.00 0.74 C ATOM 307 C ASP A 109 -0.660 25.185 4.297 1.00 0.78 C ATOM 308 O ASP A 109 -1.833 25.282 3.983 1.00 0.96 O ATOM 309 CB ASP A 109 0.074 27.313 3.115 1.00 0.72 C ATOM 310 CG ASP A 109 0.631 26.629 1.863 1.00 1.15 C ATOM 311 OD1 ASP A 109 0.282 25.488 1.610 1.00 1.66 O ATOM 312 OD2 ASP A 109 1.385 27.274 1.163 1.00 1.95 O ATOM 0 H ASP A 109 1.963 25.276 3.812 1.00 0.73 H new ATOM 0 HA ASP A 109 -0.053 26.973 5.263 1.00 0.74 H new ATOM 0 HB2 ASP A 109 -0.982 27.538 2.968 1.00 0.72 H new ATOM 0 HB3 ASP A 109 0.584 28.264 3.268 1.00 0.72 H new ATOM 317 N GLY A 110 -0.135 24.019 4.607 1.00 0.76 N ATOM 318 CA GLY A 110 -0.977 22.783 4.580 1.00 0.85 C ATOM 319 C GLY A 110 -0.733 21.967 3.302 1.00 0.70 C ATOM 320 O GLY A 110 -0.842 20.756 3.315 1.00 0.73 O ATOM 0 H GLY A 110 0.838 23.874 4.876 1.00 0.76 H new ATOM 0 HA2 GLY A 110 -0.754 22.170 5.453 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -2.030 23.057 4.643 1.00 0.85 H new ATOM 324 N TYR A 111 -0.427 22.606 2.198 1.00 0.68 N ATOM 325 CA TYR A 111 -0.205 21.839 0.926 1.00 0.60 C ATOM 326 C TYR A 111 1.100 22.269 0.249 1.00 0.58 C ATOM 327 O TYR A 111 1.681 23.276 0.589 1.00 0.83 O ATOM 328 CB TYR A 111 -1.397 22.191 0.019 1.00 0.68 C ATOM 329 CG TYR A 111 -2.678 22.274 0.819 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.434 21.122 1.051 1.00 0.71 C ATOM 331 CD2 TYR A 111 -3.107 23.508 1.326 1.00 0.78 C ATOM 332 CE1 TYR A 111 -4.622 21.200 1.787 1.00 0.78 C ATOM 333 CE2 TYR A 111 -4.295 23.586 2.060 1.00 0.83 C ATOM 334 CZ TYR A 111 -5.052 22.433 2.292 1.00 0.80 C ATOM 335 OH TYR A 111 -6.225 22.511 3.013 1.00 0.90 O ATOM 0 H TYR A 111 -0.321 23.618 2.120 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.131 20.769 1.120 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.212 23.143 -0.478 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.500 21.438 -0.762 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -3.101 20.171 0.662 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -2.521 24.398 1.150 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -5.207 20.310 1.965 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -4.628 24.537 2.448 1.00 0.83 H new ATOM 0 HH TYR A 111 -6.377 23.438 3.291 1.00 0.90 H new ATOM 345 N ILE A 112 1.550 21.522 -0.725 1.00 0.50 N ATOM 346 CA ILE A 112 2.805 21.897 -1.451 1.00 0.50 C ATOM 347 C ILE A 112 2.430 22.512 -2.808 1.00 0.49 C ATOM 348 O ILE A 112 1.489 22.080 -3.446 1.00 0.66 O ATOM 349 CB ILE A 112 3.578 20.576 -1.614 1.00 0.50 C ATOM 350 CG1 ILE A 112 4.329 20.270 -0.312 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.588 20.683 -2.764 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.782 18.809 -0.305 1.00 0.66 C ATOM 0 H ILE A 112 1.103 20.665 -1.052 1.00 0.50 H new ATOM 0 HA ILE A 112 3.410 22.636 -0.925 1.00 0.50 H new ATOM 0 HB ILE A 112 2.871 19.778 -1.839 1.00 0.50 H new ATOM 0 HG12 ILE A 112 5.192 20.928 -0.216 1.00 0.62 H new ATOM 0 HG13 ILE A 112 3.684 20.464 0.545 1.00 0.62 H new ATOM 0 HG21 ILE A 112 5.126 19.740 -2.865 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.060 20.901 -3.693 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.297 21.484 -2.553 1.00 0.58 H new ATOM 0 HD11 ILE A 112 5.315 18.598 0.622 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.911 18.158 -0.380 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.443 18.629 -1.153 1.00 0.66 H new ATOM 364 N ASP A 113 3.140 23.524 -3.245 1.00 0.47 N ATOM 365 CA ASP A 113 2.801 24.173 -4.555 1.00 0.50 C ATOM 366 C ASP A 113 3.873 23.869 -5.613 1.00 0.50 C ATOM 367 O ASP A 113 4.926 23.339 -5.312 1.00 0.57 O ATOM 368 CB ASP A 113 2.747 25.676 -4.258 1.00 0.60 C ATOM 369 CG ASP A 113 1.511 26.002 -3.412 1.00 1.17 C ATOM 370 OD1 ASP A 113 1.481 25.616 -2.253 1.00 1.77 O ATOM 371 OD2 ASP A 113 0.613 26.636 -3.937 1.00 1.85 O ATOM 0 H ASP A 113 3.937 23.929 -2.755 1.00 0.47 H new ATOM 0 HA ASP A 113 1.858 23.801 -4.956 1.00 0.50 H new ATOM 0 HB2 ASP A 113 3.650 25.983 -3.730 1.00 0.60 H new ATOM 0 HB3 ASP A 113 2.717 26.238 -5.191 1.00 0.60 H new ATOM 376 N LEU A 114 3.594 24.195 -6.852 1.00 0.52 N ATOM 377 CA LEU A 114 4.568 23.926 -7.962 1.00 0.57 C ATOM 378 C LEU A 114 5.951 24.514 -7.651 1.00 0.63 C ATOM 379 O LEU A 114 6.958 23.844 -7.787 1.00 0.80 O ATOM 380 CB LEU A 114 3.962 24.608 -9.192 1.00 0.62 C ATOM 381 CG LEU A 114 3.172 23.581 -10.001 1.00 0.61 C ATOM 382 CD1 LEU A 114 2.211 24.303 -10.946 1.00 0.91 C ATOM 383 CD2 LEU A 114 4.144 22.723 -10.814 1.00 0.81 C ATOM 0 H LEU A 114 2.725 24.640 -7.147 1.00 0.52 H new ATOM 0 HA LEU A 114 4.720 22.857 -8.109 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.310 25.425 -8.884 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.750 25.043 -9.806 1.00 0.62 H new ATOM 0 HG LEU A 114 2.601 22.944 -9.325 1.00 0.61 H new ATOM 0 HD11 LEU A 114 1.648 23.569 -11.523 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.521 24.915 -10.365 1.00 0.91 H new ATOM 0 HD13 LEU A 114 2.778 24.940 -11.625 1.00 0.91 H new ATOM 0 HD21 LEU A 114 3.584 21.988 -11.393 1.00 0.81 H new ATOM 0 HD22 LEU A 114 4.714 23.360 -11.490 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.827 22.208 -10.139 1.00 0.81 H new ATOM 395 N ASP A 115 6.010 25.754 -7.235 1.00 0.61 N ATOM 396 CA ASP A 115 7.332 26.379 -6.912 1.00 0.71 C ATOM 397 C ASP A 115 8.010 25.645 -5.742 1.00 0.65 C ATOM 398 O ASP A 115 9.216 25.694 -5.589 1.00 0.89 O ATOM 399 CB ASP A 115 7.009 27.824 -6.521 1.00 0.80 C ATOM 400 CG ASP A 115 8.300 28.646 -6.493 1.00 1.17 C ATOM 401 OD1 ASP A 115 8.955 28.720 -7.520 1.00 1.76 O ATOM 402 OD2 ASP A 115 8.612 29.186 -5.446 1.00 1.76 O ATOM 0 H ASP A 115 5.201 26.362 -7.105 1.00 0.61 H new ATOM 0 HA ASP A 115 8.020 26.327 -7.755 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.306 28.256 -7.233 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.528 27.849 -5.543 1.00 0.80 H new ATOM 407 N GLU A 116 7.248 24.965 -4.922 1.00 0.51 N ATOM 408 CA GLU A 116 7.849 24.225 -3.770 1.00 0.48 C ATOM 409 C GLU A 116 8.148 22.768 -4.171 1.00 0.49 C ATOM 410 O GLU A 116 8.931 22.099 -3.525 1.00 0.63 O ATOM 411 CB GLU A 116 6.810 24.293 -2.645 1.00 0.48 C ATOM 412 CG GLU A 116 6.270 25.722 -2.520 1.00 0.57 C ATOM 413 CD GLU A 116 5.162 25.763 -1.473 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.268 25.050 -0.488 1.00 1.36 O ATOM 415 OE2 GLU A 116 4.223 26.510 -1.672 1.00 1.19 O ATOM 0 H GLU A 116 6.234 24.890 -5.001 1.00 0.51 H new ATOM 0 HA GLU A 116 8.797 24.660 -3.452 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.992 23.603 -2.851 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.260 23.981 -1.703 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.074 26.402 -2.239 1.00 0.57 H new ATOM 0 HG3 GLU A 116 5.887 26.062 -3.482 1.00 0.57 H new ATOM 422 N LEU A 117 7.556 22.275 -5.246 1.00 0.48 N ATOM 423 CA LEU A 117 7.848 20.868 -5.687 1.00 0.52 C ATOM 424 C LEU A 117 9.347 20.742 -5.978 1.00 0.58 C ATOM 425 O LEU A 117 10.020 19.882 -5.444 1.00 0.69 O ATOM 426 CB LEU A 117 7.038 20.644 -6.974 1.00 0.55 C ATOM 427 CG LEU A 117 5.631 20.129 -6.642 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.788 20.121 -7.920 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.702 18.700 -6.079 1.00 0.53 C ATOM 0 H LEU A 117 6.891 22.783 -5.829 1.00 0.48 H new ATOM 0 HA LEU A 117 7.582 20.134 -4.926 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.967 21.577 -7.533 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.552 19.927 -7.614 1.00 0.55 H new ATOM 0 HG LEU A 117 5.181 20.783 -5.895 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.786 19.756 -7.693 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.724 21.133 -8.320 1.00 0.58 H new ATOM 0 HD13 LEU A 117 5.253 19.468 -8.659 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.696 18.349 -5.849 1.00 0.53 H new ATOM 0 HD22 LEU A 117 6.156 18.040 -6.818 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.304 18.696 -5.171 1.00 0.53 H new ATOM 441 N LYS A 118 9.875 21.613 -6.809 1.00 0.59 N ATOM 442 CA LYS A 118 11.341 21.571 -7.124 1.00 0.69 C ATOM 443 C LYS A 118 12.158 21.744 -5.834 1.00 0.64 C ATOM 444 O LYS A 118 13.205 21.147 -5.672 1.00 0.73 O ATOM 445 CB LYS A 118 11.590 22.726 -8.109 1.00 0.83 C ATOM 446 CG LYS A 118 11.211 24.071 -7.475 1.00 0.99 C ATOM 447 CD LYS A 118 10.546 24.957 -8.530 1.00 1.35 C ATOM 448 CE LYS A 118 11.586 25.899 -9.141 1.00 1.51 C ATOM 449 NZ LYS A 118 10.791 26.993 -9.764 1.00 1.99 N1+ ATOM 0 H LYS A 118 9.354 22.351 -7.282 1.00 0.59 H new ATOM 0 HA LYS A 118 11.644 20.619 -7.561 1.00 0.69 H new ATOM 0 HB2 LYS A 118 12.639 22.740 -8.403 1.00 0.83 H new ATOM 0 HB3 LYS A 118 11.007 22.569 -9.016 1.00 0.83 H new ATOM 0 HG2 LYS A 118 10.533 23.913 -6.636 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.099 24.562 -7.078 1.00 0.99 H new ATOM 0 HD2 LYS A 118 10.099 24.339 -9.309 1.00 1.35 H new ATOM 0 HD3 LYS A 118 9.739 25.534 -8.078 1.00 1.35 H new ATOM 0 HE2 LYS A 118 12.264 26.287 -8.380 1.00 1.51 H new ATOM 0 HE3 LYS A 118 12.199 25.385 -9.881 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 11.427 27.762 -10.055 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 10.288 26.626 -10.597 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 10.101 27.356 -9.076 1.00 1.99 H new ATOM 463 N ILE A 119 11.667 22.526 -4.900 1.00 0.68 N ATOM 464 CA ILE A 119 12.392 22.703 -3.603 1.00 0.74 C ATOM 465 C ILE A 119 12.338 21.376 -2.823 1.00 0.75 C ATOM 466 O ILE A 119 13.260 21.022 -2.113 1.00 0.85 O ATOM 467 CB ILE A 119 11.640 23.841 -2.881 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.500 25.105 -2.901 1.00 1.22 C ATOM 469 CG2 ILE A 119 11.339 23.474 -1.427 1.00 1.08 C ATOM 470 CD1 ILE A 119 12.071 25.991 -4.066 1.00 1.06 C ATOM 0 H ILE A 119 10.795 23.049 -4.982 1.00 0.68 H new ATOM 0 HA ILE A 119 13.446 22.957 -3.716 1.00 0.74 H new ATOM 0 HB ILE A 119 10.696 24.008 -3.401 1.00 0.98 H new ATOM 0 HG12 ILE A 119 12.394 25.645 -1.960 1.00 1.22 H new ATOM 0 HG13 ILE A 119 13.553 24.840 -2.999 1.00 1.22 H new ATOM 0 HG21 ILE A 119 10.809 24.296 -0.946 1.00 1.08 H new ATOM 0 HG22 ILE A 119 10.720 22.577 -1.399 1.00 1.08 H new ATOM 0 HG23 ILE A 119 12.273 23.286 -0.898 1.00 1.08 H new ATOM 0 HD11 ILE A 119 12.683 26.893 -4.082 1.00 1.06 H new ATOM 0 HD12 ILE A 119 12.200 25.448 -5.002 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.023 26.266 -3.947 1.00 1.06 H new ATOM 482 N MET A 120 11.268 20.633 -2.985 1.00 0.85 N ATOM 483 CA MET A 120 11.135 19.310 -2.299 1.00 1.01 C ATOM 484 C MET A 120 12.157 18.326 -2.887 1.00 0.95 C ATOM 485 O MET A 120 12.739 17.526 -2.182 1.00 1.11 O ATOM 486 CB MET A 120 9.698 18.861 -2.605 1.00 1.17 C ATOM 487 CG MET A 120 9.370 17.573 -1.849 1.00 1.52 C ATOM 488 SD MET A 120 8.040 16.697 -2.711 1.00 1.88 S ATOM 489 CE MET A 120 7.299 15.919 -1.256 1.00 1.43 C ATOM 0 H MET A 120 10.473 20.891 -3.570 1.00 0.85 H new ATOM 0 HA MET A 120 11.322 19.360 -1.226 1.00 1.01 H new ATOM 0 HB2 MET A 120 8.997 19.646 -2.321 1.00 1.17 H new ATOM 0 HB3 MET A 120 9.581 18.701 -3.677 1.00 1.17 H new ATOM 0 HG2 MET A 120 10.255 16.940 -1.784 1.00 1.52 H new ATOM 0 HG3 MET A 120 9.067 17.804 -0.828 1.00 1.52 H new ATOM 0 HE1 MET A 120 6.988 14.905 -1.505 1.00 1.43 H new ATOM 0 HE2 MET A 120 8.031 15.886 -0.449 1.00 1.43 H new ATOM 0 HE3 MET A 120 6.432 16.497 -0.936 1.00 1.43 H new ATOM 499 N LEU A 121 12.382 18.396 -4.177 1.00 0.87 N ATOM 500 CA LEU A 121 13.372 17.483 -4.832 1.00 0.95 C ATOM 501 C LEU A 121 14.811 17.967 -4.586 1.00 0.87 C ATOM 502 O LEU A 121 15.748 17.199 -4.674 1.00 0.97 O ATOM 503 CB LEU A 121 13.037 17.551 -6.324 1.00 1.09 C ATOM 504 CG LEU A 121 13.111 16.151 -6.935 1.00 1.41 C ATOM 505 CD1 LEU A 121 11.707 15.695 -7.338 1.00 2.03 C ATOM 506 CD2 LEU A 121 14.010 16.184 -8.172 1.00 1.80 C ATOM 0 H LEU A 121 11.920 19.050 -4.808 1.00 0.87 H new ATOM 0 HA LEU A 121 13.314 16.469 -4.437 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.039 17.967 -6.464 1.00 1.09 H new ATOM 0 HB3 LEU A 121 13.734 18.217 -6.833 1.00 1.09 H new ATOM 0 HG LEU A 121 13.522 15.456 -6.203 1.00 1.41 H new ATOM 0 HD11 LEU A 121 11.760 14.697 -7.774 1.00 2.03 H new ATOM 0 HD12 LEU A 121 11.065 15.673 -6.458 1.00 2.03 H new ATOM 0 HD13 LEU A 121 11.295 16.389 -8.070 1.00 2.03 H new ATOM 0 HD21 LEU A 121 14.064 15.187 -8.609 1.00 1.80 H new ATOM 0 HD22 LEU A 121 13.597 16.879 -8.903 1.00 1.80 H new ATOM 0 HD23 LEU A 121 15.010 16.510 -7.886 1.00 1.80 H new ATOM 518 N GLN A 122 14.993 19.232 -4.288 1.00 0.82 N ATOM 519 CA GLN A 122 16.372 19.769 -4.045 1.00 0.95 C ATOM 520 C GLN A 122 17.097 18.978 -2.942 1.00 1.04 C ATOM 521 O GLN A 122 18.294 18.780 -3.008 1.00 1.19 O ATOM 522 CB GLN A 122 16.156 21.220 -3.609 1.00 1.14 C ATOM 523 CG GLN A 122 16.355 22.152 -4.808 1.00 1.42 C ATOM 524 CD GLN A 122 16.258 23.607 -4.349 1.00 1.85 C ATOM 525 OE1 GLN A 122 15.296 24.286 -4.642 1.00 2.44 O ATOM 526 NE2 GLN A 122 17.223 24.119 -3.638 1.00 2.28 N ATOM 0 H GLN A 122 14.244 19.919 -4.202 1.00 0.82 H new ATOM 0 HA GLN A 122 16.997 19.688 -4.935 1.00 0.95 H new ATOM 0 HB2 GLN A 122 15.152 21.343 -3.203 1.00 1.14 H new ATOM 0 HB3 GLN A 122 16.855 21.479 -2.814 1.00 1.14 H new ATOM 0 HG2 GLN A 122 17.327 21.969 -5.266 1.00 1.42 H new ATOM 0 HG3 GLN A 122 15.601 21.949 -5.568 1.00 1.42 H new ATOM 0 HE21 GLN A 122 18.032 23.549 -3.391 1.00 2.28 H new ATOM 0 HE22 GLN A 122 17.169 25.089 -3.329 1.00 2.28 H new ATOM 535 N ALA A 123 16.386 18.534 -1.934 1.00 1.09 N ATOM 536 CA ALA A 123 17.043 17.765 -0.828 1.00 1.33 C ATOM 537 C ALA A 123 17.598 16.425 -1.339 1.00 1.38 C ATOM 538 O ALA A 123 18.722 16.065 -1.044 1.00 1.62 O ATOM 539 CB ALA A 123 15.941 17.528 0.206 1.00 1.45 C ATOM 0 H ALA A 123 15.381 18.670 -1.828 1.00 1.09 H new ATOM 0 HA ALA A 123 17.890 18.310 -0.410 1.00 1.33 H new ATOM 0 HB1 ALA A 123 16.347 16.969 1.049 1.00 1.45 H new ATOM 0 HB2 ALA A 123 15.559 18.487 0.557 1.00 1.45 H new ATOM 0 HB3 ALA A 123 15.130 16.960 -0.250 1.00 1.45 H new ATOM 545 N THR A 124 16.823 15.689 -2.098 1.00 1.29 N ATOM 546 CA THR A 124 17.315 14.371 -2.624 1.00 1.47 C ATOM 547 C THR A 124 18.213 14.578 -3.855 1.00 1.44 C ATOM 548 O THR A 124 19.086 13.777 -4.130 1.00 1.72 O ATOM 549 CB THR A 124 16.056 13.565 -2.988 1.00 1.56 C ATOM 550 OG1 THR A 124 16.437 12.251 -3.370 1.00 2.16 O ATOM 551 CG2 THR A 124 15.306 14.230 -4.146 1.00 1.92 C ATOM 0 H THR A 124 15.874 15.940 -2.377 1.00 1.29 H new ATOM 0 HA THR A 124 17.920 13.846 -1.885 1.00 1.47 H new ATOM 0 HB THR A 124 15.398 13.529 -2.119 1.00 1.56 H new ATOM 0 HG1 THR A 124 15.638 11.733 -3.601 1.00 2.16 H new ATOM 0 HG21 THR A 124 14.419 13.645 -4.389 1.00 1.92 H new ATOM 0 HG22 THR A 124 15.008 15.238 -3.856 1.00 1.92 H new ATOM 0 HG23 THR A 124 15.957 14.281 -5.019 1.00 1.92 H new ATOM 559 N GLY A 125 18.011 15.644 -4.592 1.00 1.26 N ATOM 560 CA GLY A 125 18.857 15.897 -5.796 1.00 1.32 C ATOM 561 C GLY A 125 18.010 16.542 -6.892 1.00 1.26 C ATOM 562 O GLY A 125 17.553 15.876 -7.802 1.00 1.63 O ATOM 0 H GLY A 125 17.296 16.349 -4.410 1.00 1.26 H new ATOM 0 HA2 GLY A 125 19.691 16.549 -5.536 1.00 1.32 H new ATOM 0 HA3 GLY A 125 19.284 14.961 -6.156 1.00 1.32 H new ATOM 566 N GLU A 126 17.801 17.834 -6.820 1.00 1.02 N ATOM 567 CA GLU A 126 16.986 18.515 -7.871 1.00 1.08 C ATOM 568 C GLU A 126 17.835 18.735 -9.130 1.00 0.89 C ATOM 569 O GLU A 126 18.544 19.717 -9.260 1.00 0.87 O ATOM 570 CB GLU A 126 16.545 19.849 -7.252 1.00 1.34 C ATOM 571 CG GLU A 126 15.898 20.739 -8.322 1.00 1.45 C ATOM 572 CD GLU A 126 14.761 19.983 -9.016 1.00 1.61 C ATOM 573 OE1 GLU A 126 13.664 19.988 -8.489 1.00 2.09 O ATOM 574 OE2 GLU A 126 15.010 19.414 -10.065 1.00 2.16 O ATOM 0 H GLU A 126 18.158 18.442 -6.083 1.00 1.02 H new ATOM 0 HA GLU A 126 16.123 17.923 -8.175 1.00 1.08 H new ATOM 0 HB2 GLU A 126 15.838 19.667 -6.443 1.00 1.34 H new ATOM 0 HB3 GLU A 126 17.404 20.358 -6.816 1.00 1.34 H new ATOM 0 HG2 GLU A 126 15.513 21.650 -7.864 1.00 1.45 H new ATOM 0 HG3 GLU A 126 16.645 21.041 -9.056 1.00 1.45 H new ATOM 581 N THR A 127 17.763 17.813 -10.053 1.00 1.09 N ATOM 582 CA THR A 127 18.551 17.936 -11.318 1.00 1.21 C ATOM 583 C THR A 127 17.606 17.816 -12.526 1.00 1.29 C ATOM 584 O THR A 127 17.871 17.102 -13.478 1.00 1.60 O ATOM 585 CB THR A 127 19.568 16.781 -11.262 1.00 1.57 C ATOM 586 OG1 THR A 127 20.422 16.839 -12.397 1.00 1.91 O ATOM 587 CG2 THR A 127 18.842 15.433 -11.238 1.00 2.18 C ATOM 0 H THR A 127 17.188 16.973 -9.986 1.00 1.09 H new ATOM 0 HA THR A 127 19.058 18.896 -11.420 1.00 1.21 H new ATOM 0 HB THR A 127 20.161 16.880 -10.353 1.00 1.57 H new ATOM 0 HG1 THR A 127 19.881 16.934 -13.209 1.00 1.91 H new ATOM 0 HG21 THR A 127 19.574 14.626 -11.198 1.00 2.18 H new ATOM 0 HG22 THR A 127 18.198 15.382 -10.360 1.00 2.18 H new ATOM 0 HG23 THR A 127 18.237 15.330 -12.138 1.00 2.18 H new ATOM 595 N ILE A 128 16.496 18.513 -12.483 1.00 1.08 N ATOM 596 CA ILE A 128 15.510 18.453 -13.606 1.00 1.20 C ATOM 597 C ILE A 128 15.207 19.865 -14.132 1.00 1.18 C ATOM 598 O ILE A 128 15.647 20.855 -13.576 1.00 1.15 O ATOM 599 CB ILE A 128 14.260 17.803 -12.983 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.591 16.888 -14.007 1.00 1.32 C ATOM 601 CG2 ILE A 128 13.251 18.868 -12.540 1.00 1.62 C ATOM 602 CD1 ILE A 128 14.167 15.477 -13.885 1.00 2.03 C ATOM 0 H ILE A 128 16.230 19.125 -11.712 1.00 1.08 H new ATOM 0 HA ILE A 128 15.878 17.888 -14.462 1.00 1.20 H new ATOM 0 HB ILE A 128 14.576 17.229 -12.112 1.00 1.12 H new ATOM 0 HG12 ILE A 128 12.514 16.868 -13.843 1.00 1.32 H new ATOM 0 HG13 ILE A 128 13.753 17.272 -15.014 1.00 1.32 H new ATOM 0 HG21 ILE A 128 12.378 18.383 -12.104 1.00 1.62 H new ATOM 0 HG22 ILE A 128 13.712 19.520 -11.798 1.00 1.62 H new ATOM 0 HG23 ILE A 128 12.944 19.460 -13.403 1.00 1.62 H new ATOM 0 HD11 ILE A 128 13.689 14.825 -14.616 1.00 2.03 H new ATOM 0 HD12 ILE A 128 15.241 15.505 -14.071 1.00 2.03 H new ATOM 0 HD13 ILE A 128 13.982 15.094 -12.881 1.00 2.03 H new ATOM 614 N THR A 129 14.453 19.963 -15.196 1.00 1.34 N ATOM 615 CA THR A 129 14.112 21.308 -15.760 1.00 1.42 C ATOM 616 C THR A 129 12.826 21.838 -15.114 1.00 1.16 C ATOM 617 O THR A 129 12.060 21.091 -14.535 1.00 0.97 O ATOM 618 CB THR A 129 13.907 21.089 -17.268 1.00 1.64 C ATOM 619 OG1 THR A 129 14.705 19.998 -17.714 1.00 2.23 O ATOM 620 CG2 THR A 129 14.314 22.350 -18.027 1.00 2.28 C ATOM 0 H THR A 129 14.057 19.170 -15.701 1.00 1.34 H new ATOM 0 HA THR A 129 14.896 22.040 -15.567 1.00 1.42 H new ATOM 0 HB THR A 129 12.856 20.868 -17.454 1.00 1.64 H new ATOM 0 HG1 THR A 129 14.568 19.864 -18.675 1.00 2.23 H new ATOM 0 HG21 THR A 129 14.168 22.194 -19.096 1.00 2.28 H new ATOM 0 HG22 THR A 129 13.701 23.188 -17.696 1.00 2.28 H new ATOM 0 HG23 THR A 129 15.364 22.569 -17.832 1.00 2.28 H new ATOM 628 N GLU A 130 12.583 23.123 -15.208 1.00 1.31 N ATOM 629 CA GLU A 130 11.342 23.704 -14.600 1.00 1.28 C ATOM 630 C GLU A 130 10.096 23.043 -15.204 1.00 1.16 C ATOM 631 O GLU A 130 9.231 22.571 -14.491 1.00 1.21 O ATOM 632 CB GLU A 130 11.388 25.191 -14.946 1.00 1.69 C ATOM 633 CG GLU A 130 10.071 25.853 -14.531 1.00 2.05 C ATOM 634 CD GLU A 130 10.201 26.413 -13.113 1.00 2.43 C ATOM 635 OE1 GLU A 130 9.986 25.660 -12.177 1.00 2.70 O ATOM 636 OE2 GLU A 130 10.517 27.582 -12.986 1.00 3.03 O ATOM 0 H GLU A 130 13.189 23.795 -15.679 1.00 1.31 H new ATOM 0 HA GLU A 130 11.294 23.541 -13.523 1.00 1.28 H new ATOM 0 HB2 GLU A 130 12.224 25.668 -14.435 1.00 1.69 H new ATOM 0 HB3 GLU A 130 11.552 25.321 -16.016 1.00 1.69 H new ATOM 0 HG2 GLU A 130 9.820 26.653 -15.227 1.00 2.05 H new ATOM 0 HG3 GLU A 130 9.259 25.127 -14.573 1.00 2.05 H new ATOM 643 N ASP A 131 10.007 22.991 -16.511 1.00 1.18 N ATOM 644 CA ASP A 131 8.824 22.336 -17.156 1.00 1.19 C ATOM 645 C ASP A 131 8.753 20.862 -16.728 1.00 1.07 C ATOM 646 O ASP A 131 7.686 20.280 -16.652 1.00 1.14 O ATOM 647 CB ASP A 131 9.047 22.458 -18.672 1.00 1.44 C ATOM 648 CG ASP A 131 10.409 21.871 -19.062 1.00 1.48 C ATOM 649 OD1 ASP A 131 11.389 22.595 -18.985 1.00 1.91 O ATOM 650 OD2 ASP A 131 10.448 20.712 -19.434 1.00 2.07 O ATOM 0 H ASP A 131 10.698 23.372 -17.157 1.00 1.18 H new ATOM 0 HA ASP A 131 7.884 22.804 -16.863 1.00 1.19 H new ATOM 0 HB2 ASP A 131 8.253 21.936 -19.206 1.00 1.44 H new ATOM 0 HB3 ASP A 131 8.997 23.505 -18.970 1.00 1.44 H new ATOM 655 N ASP A 132 9.885 20.269 -16.429 1.00 1.00 N ATOM 656 CA ASP A 132 9.908 18.842 -15.984 1.00 1.03 C ATOM 657 C ASP A 132 9.239 18.708 -14.608 1.00 0.88 C ATOM 658 O ASP A 132 8.610 17.708 -14.316 1.00 1.03 O ATOM 659 CB ASP A 132 11.390 18.472 -15.902 1.00 1.13 C ATOM 660 CG ASP A 132 11.598 17.051 -16.428 1.00 1.39 C ATOM 661 OD1 ASP A 132 11.111 16.129 -15.795 1.00 1.79 O ATOM 662 OD2 ASP A 132 12.247 16.908 -17.450 1.00 1.99 O ATOM 0 H ASP A 132 10.800 20.718 -16.475 1.00 1.00 H new ATOM 0 HA ASP A 132 9.366 18.187 -16.666 1.00 1.03 H new ATOM 0 HB2 ASP A 132 11.983 19.176 -16.485 1.00 1.13 H new ATOM 0 HB3 ASP A 132 11.735 18.542 -14.871 1.00 1.13 H new ATOM 667 N ILE A 133 9.355 19.715 -13.769 1.00 0.75 N ATOM 668 CA ILE A 133 8.704 19.654 -12.418 1.00 0.77 C ATOM 669 C ILE A 133 7.203 19.393 -12.597 1.00 0.70 C ATOM 670 O ILE A 133 6.611 18.594 -11.895 1.00 0.82 O ATOM 671 CB ILE A 133 8.939 21.036 -11.782 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.445 21.290 -11.605 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.251 21.100 -10.414 1.00 1.06 C ATOM 674 CD1 ILE A 133 11.058 20.219 -10.698 1.00 1.00 C ATOM 0 H ILE A 133 9.871 20.574 -13.961 1.00 0.75 H new ATOM 0 HA ILE A 133 9.110 18.859 -11.793 1.00 0.77 H new ATOM 0 HB ILE A 133 8.521 21.799 -12.439 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.940 21.281 -12.576 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.607 22.278 -11.174 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.420 22.080 -9.967 1.00 1.06 H new ATOM 0 HG22 ILE A 133 7.180 20.937 -10.537 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.663 20.329 -9.763 1.00 1.06 H new ATOM 0 HD11 ILE A 133 12.125 20.409 -10.580 1.00 1.00 H new ATOM 0 HD12 ILE A 133 10.574 20.248 -9.722 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.912 19.236 -11.146 1.00 1.00 H new ATOM 686 N GLU A 134 6.598 20.053 -13.554 1.00 0.61 N ATOM 687 CA GLU A 134 5.141 19.849 -13.821 1.00 0.64 C ATOM 688 C GLU A 134 4.888 18.418 -14.318 1.00 0.64 C ATOM 689 O GLU A 134 3.883 17.812 -13.997 1.00 0.76 O ATOM 690 CB GLU A 134 4.799 20.859 -14.920 1.00 0.73 C ATOM 691 CG GLU A 134 4.326 22.167 -14.285 1.00 0.89 C ATOM 692 CD GLU A 134 2.797 22.190 -14.249 1.00 1.21 C ATOM 693 OE1 GLU A 134 2.234 21.540 -13.384 1.00 1.87 O ATOM 694 OE2 GLU A 134 2.215 22.849 -15.094 1.00 1.86 O ATOM 0 H GLU A 134 7.055 20.729 -14.166 1.00 0.61 H new ATOM 0 HA GLU A 134 4.533 19.990 -12.927 1.00 0.64 H new ATOM 0 HB2 GLU A 134 5.673 21.042 -15.545 1.00 0.73 H new ATOM 0 HB3 GLU A 134 4.022 20.456 -15.569 1.00 0.73 H new ATOM 0 HG2 GLU A 134 4.726 22.259 -13.275 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.700 23.017 -14.855 1.00 0.89 H new ATOM 701 N GLU A 135 5.795 17.877 -15.097 1.00 0.59 N ATOM 702 CA GLU A 135 5.618 16.485 -15.621 1.00 0.67 C ATOM 703 C GLU A 135 5.498 15.485 -14.469 1.00 0.74 C ATOM 704 O GLU A 135 4.546 14.729 -14.395 1.00 0.91 O ATOM 705 CB GLU A 135 6.875 16.201 -16.448 1.00 0.72 C ATOM 706 CG GLU A 135 6.468 15.678 -17.828 1.00 1.16 C ATOM 707 CD GLU A 135 5.682 16.757 -18.579 1.00 1.56 C ATOM 708 OE1 GLU A 135 6.310 17.624 -19.162 1.00 2.29 O ATOM 709 OE2 GLU A 135 4.463 16.698 -18.557 1.00 2.03 O ATOM 0 H GLU A 135 6.653 18.342 -15.393 1.00 0.59 H new ATOM 0 HA GLU A 135 4.709 16.390 -16.215 1.00 0.67 H new ATOM 0 HB2 GLU A 135 7.468 17.109 -16.552 1.00 0.72 H new ATOM 0 HB3 GLU A 135 7.501 15.468 -15.939 1.00 0.72 H new ATOM 0 HG2 GLU A 135 7.354 15.398 -18.397 1.00 1.16 H new ATOM 0 HG3 GLU A 135 5.860 14.779 -17.722 1.00 1.16 H new ATOM 716 N LEU A 136 6.447 15.478 -13.566 1.00 0.73 N ATOM 717 CA LEU A 136 6.374 14.526 -12.416 1.00 0.87 C ATOM 718 C LEU A 136 5.242 14.935 -11.446 1.00 0.81 C ATOM 719 O LEU A 136 4.823 14.151 -10.619 1.00 1.00 O ATOM 720 CB LEU A 136 7.781 14.561 -11.770 1.00 0.99 C ATOM 721 CG LEU A 136 7.776 15.286 -10.415 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.104 14.287 -9.296 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.836 16.389 -10.437 1.00 1.75 C ATOM 0 H LEU A 136 7.265 16.087 -13.575 1.00 0.73 H new ATOM 0 HA LEU A 136 6.126 13.509 -12.719 1.00 0.87 H new ATOM 0 HB2 LEU A 136 8.143 13.542 -11.634 1.00 0.99 H new ATOM 0 HB3 LEU A 136 8.477 15.059 -12.445 1.00 0.99 H new ATOM 0 HG LEU A 136 6.793 15.720 -10.234 1.00 1.09 H new ATOM 0 HD11 LEU A 136 8.100 14.802 -8.336 1.00 1.74 H new ATOM 0 HD12 LEU A 136 7.356 13.494 -9.285 1.00 1.74 H new ATOM 0 HD13 LEU A 136 9.089 13.854 -9.472 1.00 1.74 H new ATOM 0 HD21 LEU A 136 8.840 16.909 -9.479 1.00 1.75 H new ATOM 0 HD22 LEU A 136 9.817 15.948 -10.614 1.00 1.75 H new ATOM 0 HD23 LEU A 136 8.608 17.097 -11.234 1.00 1.75 H new ATOM 735 N MET A 137 4.729 16.146 -11.551 1.00 0.67 N ATOM 736 CA MET A 137 3.616 16.568 -10.640 1.00 0.71 C ATOM 737 C MET A 137 2.256 16.070 -11.154 1.00 0.68 C ATOM 738 O MET A 137 1.333 15.933 -10.385 1.00 0.70 O ATOM 739 CB MET A 137 3.637 18.102 -10.621 1.00 0.82 C ATOM 740 CG MET A 137 2.544 18.601 -9.665 1.00 0.99 C ATOM 741 SD MET A 137 2.338 20.390 -9.837 1.00 0.94 S ATOM 742 CE MET A 137 1.369 20.653 -8.329 1.00 0.53 C ATOM 0 H MET A 137 5.032 16.851 -12.223 1.00 0.67 H new ATOM 0 HA MET A 137 3.754 16.146 -9.645 1.00 0.71 H new ATOM 0 HB2 MET A 137 4.614 18.462 -10.298 1.00 0.82 H new ATOM 0 HB3 MET A 137 3.469 18.494 -11.624 1.00 0.82 H new ATOM 0 HG2 MET A 137 1.602 18.096 -9.881 1.00 0.99 H new ATOM 0 HG3 MET A 137 2.809 18.355 -8.637 1.00 0.99 H new ATOM 0 HE1 MET A 137 0.517 21.296 -8.551 1.00 0.53 H new ATOM 0 HE2 MET A 137 1.012 19.694 -7.954 1.00 0.53 H new ATOM 0 HE3 MET A 137 1.994 21.128 -7.573 1.00 0.53 H new ATOM 752 N LYS A 138 2.111 15.813 -12.438 1.00 0.76 N ATOM 753 CA LYS A 138 0.782 15.337 -12.966 1.00 0.82 C ATOM 754 C LYS A 138 0.228 14.191 -12.107 1.00 0.72 C ATOM 755 O LYS A 138 -0.887 14.257 -11.625 1.00 0.84 O ATOM 756 CB LYS A 138 1.046 14.850 -14.393 1.00 0.99 C ATOM 757 CG LYS A 138 0.635 15.937 -15.393 1.00 1.57 C ATOM 758 CD LYS A 138 1.883 16.549 -16.037 1.00 2.09 C ATOM 759 CE LYS A 138 1.726 18.072 -16.116 1.00 2.74 C ATOM 760 NZ LYS A 138 2.732 18.523 -17.125 1.00 3.43 N1+ ATOM 0 H LYS A 138 2.847 15.911 -13.138 1.00 0.76 H new ATOM 0 HA LYS A 138 0.041 16.136 -12.942 1.00 0.82 H new ATOM 0 HB2 LYS A 138 2.102 14.609 -14.516 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.486 13.935 -14.585 1.00 0.99 H new ATOM 0 HG2 LYS A 138 -0.010 15.512 -16.161 1.00 1.57 H new ATOM 0 HG3 LYS A 138 0.059 16.711 -14.886 1.00 1.57 H new ATOM 0 HD2 LYS A 138 2.768 16.294 -15.454 1.00 2.09 H new ATOM 0 HD3 LYS A 138 2.029 16.136 -17.035 1.00 2.09 H new ATOM 0 HE2 LYS A 138 0.716 18.348 -16.418 1.00 2.74 H new ATOM 0 HE3 LYS A 138 1.907 18.536 -15.147 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 2.385 19.379 -17.603 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 3.632 18.733 -16.648 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 2.880 17.771 -17.828 1.00 3.43 H new ATOM 774 N ASP A 139 0.999 13.148 -11.898 1.00 0.75 N ATOM 775 CA ASP A 139 0.510 12.013 -11.051 1.00 0.78 C ATOM 776 C ASP A 139 0.221 12.517 -9.625 1.00 0.70 C ATOM 777 O ASP A 139 -0.686 12.043 -8.964 1.00 0.81 O ATOM 778 CB ASP A 139 1.648 10.987 -11.058 1.00 0.97 C ATOM 779 CG ASP A 139 1.155 9.643 -10.508 1.00 1.16 C ATOM 780 OD1 ASP A 139 0.059 9.237 -10.861 1.00 1.66 O ATOM 781 OD2 ASP A 139 1.887 9.037 -9.744 1.00 1.69 O ATOM 0 H ASP A 139 1.940 13.035 -12.275 1.00 0.75 H new ATOM 0 HA ASP A 139 -0.416 11.577 -11.425 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.023 10.857 -12.073 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.480 11.352 -10.455 1.00 0.97 H new ATOM 786 N GLY A 140 0.973 13.491 -9.159 1.00 0.64 N ATOM 787 CA GLY A 140 0.733 14.052 -7.794 1.00 0.62 C ATOM 788 C GLY A 140 -0.528 14.915 -7.840 1.00 0.57 C ATOM 789 O GLY A 140 -1.460 14.709 -7.091 1.00 0.65 O ATOM 0 H GLY A 140 1.744 13.920 -9.670 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.615 13.247 -7.069 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.588 14.647 -7.473 1.00 0.62 H new ATOM 793 N ASP A 141 -0.563 15.866 -8.736 1.00 0.56 N ATOM 794 CA ASP A 141 -1.758 16.742 -8.874 1.00 0.56 C ATOM 795 C ASP A 141 -2.438 16.474 -10.221 1.00 0.58 C ATOM 796 O ASP A 141 -2.235 17.192 -11.185 1.00 0.64 O ATOM 797 CB ASP A 141 -1.213 18.175 -8.812 1.00 0.60 C ATOM 798 CG ASP A 141 -2.301 19.123 -8.306 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.422 19.023 -8.777 1.00 1.14 O ATOM 800 OD2 ASP A 141 -1.996 19.931 -7.451 1.00 1.23 O ATOM 0 H ASP A 141 0.196 16.073 -9.385 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.502 16.565 -8.097 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.347 18.216 -8.152 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -0.876 18.488 -9.800 1.00 0.60 H new ATOM 805 N LYS A 142 -3.246 15.447 -10.301 1.00 0.62 N ATOM 806 CA LYS A 142 -3.938 15.148 -11.594 1.00 0.70 C ATOM 807 C LYS A 142 -4.899 16.292 -11.956 1.00 0.79 C ATOM 808 O LYS A 142 -5.227 16.494 -13.109 1.00 0.92 O ATOM 809 CB LYS A 142 -4.695 13.838 -11.362 1.00 0.79 C ATOM 810 CG LYS A 142 -3.770 12.656 -11.674 1.00 0.88 C ATOM 811 CD LYS A 142 -3.595 11.795 -10.419 1.00 1.37 C ATOM 812 CE LYS A 142 -2.873 10.494 -10.788 1.00 1.79 C ATOM 813 NZ LYS A 142 -2.372 9.937 -9.497 1.00 2.44 N1+ ATOM 0 H LYS A 142 -3.456 14.807 -9.535 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.238 15.054 -12.424 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -5.040 13.782 -10.330 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.580 13.799 -11.996 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -4.189 12.057 -12.483 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -2.801 13.020 -12.016 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -3.023 12.340 -9.668 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -4.567 11.572 -9.980 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -3.550 9.796 -11.281 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -2.052 10.683 -11.479 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -1.582 9.287 -9.683 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -2.045 10.714 -8.887 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -3.139 9.422 -9.020 1.00 2.44 H new ATOM 827 N ASN A 143 -5.326 17.060 -10.978 1.00 0.80 N ATOM 828 CA ASN A 143 -6.238 18.216 -11.259 1.00 0.95 C ATOM 829 C ASN A 143 -5.432 19.398 -11.824 1.00 0.92 C ATOM 830 O ASN A 143 -5.979 20.285 -12.451 1.00 1.08 O ATOM 831 CB ASN A 143 -6.835 18.606 -9.901 1.00 1.07 C ATOM 832 CG ASN A 143 -7.488 17.394 -9.235 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.386 16.793 -9.786 1.00 1.95 O ATOM 834 ND2 ASN A 143 -7.069 17.009 -8.061 1.00 1.70 N ATOM 0 H ASN A 143 -5.081 16.935 -9.996 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.006 17.956 -11.988 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -6.054 19.006 -9.255 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -7.573 19.396 -10.035 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -7.497 16.202 -7.606 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -6.314 17.515 -7.598 1.00 1.70 H new ATOM 841 N ASN A 144 -4.137 19.415 -11.586 1.00 0.86 N ATOM 842 CA ASN A 144 -3.263 20.529 -12.077 1.00 0.93 C ATOM 843 C ASN A 144 -3.759 21.885 -11.547 1.00 1.03 C ATOM 844 O ASN A 144 -3.776 22.871 -12.261 1.00 1.71 O ATOM 845 CB ASN A 144 -3.327 20.474 -13.611 1.00 1.08 C ATOM 846 CG ASN A 144 -2.538 19.263 -14.118 1.00 1.49 C ATOM 847 OD1 ASN A 144 -1.392 19.385 -14.499 1.00 2.18 O ATOM 848 ND2 ASN A 144 -3.108 18.092 -14.146 1.00 1.97 N ATOM 0 H ASN A 144 -3.644 18.691 -11.064 1.00 0.86 H new ATOM 0 HA ASN A 144 -2.238 20.418 -11.724 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -4.364 20.407 -13.939 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -2.917 21.391 -14.035 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -2.591 17.281 -14.487 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -4.071 17.986 -13.827 1.00 1.97 H new ATOM 855 N ASP A 145 -4.147 21.943 -10.294 1.00 0.88 N ATOM 856 CA ASP A 145 -4.625 23.243 -9.712 1.00 0.92 C ATOM 857 C ASP A 145 -3.449 24.041 -9.121 1.00 0.91 C ATOM 858 O ASP A 145 -3.559 25.232 -8.890 1.00 1.07 O ATOM 859 CB ASP A 145 -5.658 22.891 -8.621 1.00 0.93 C ATOM 860 CG ASP A 145 -5.152 21.761 -7.717 1.00 1.40 C ATOM 861 OD1 ASP A 145 -4.231 21.998 -6.955 1.00 1.89 O ATOM 862 OD2 ASP A 145 -5.704 20.679 -7.795 1.00 2.06 O ATOM 0 H ASP A 145 -4.154 21.152 -9.651 1.00 0.88 H new ATOM 0 HA ASP A 145 -5.076 23.871 -10.480 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -5.869 23.775 -8.018 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -6.596 22.593 -9.089 1.00 0.93 H new ATOM 867 N GLY A 146 -2.320 23.408 -8.895 1.00 0.84 N ATOM 868 CA GLY A 146 -1.143 24.144 -8.342 1.00 0.92 C ATOM 869 C GLY A 146 -0.803 23.674 -6.918 1.00 0.66 C ATOM 870 O GLY A 146 0.345 23.720 -6.520 1.00 0.74 O ATOM 0 H GLY A 146 -2.166 22.415 -9.070 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -0.281 23.994 -8.992 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -1.353 25.214 -8.333 1.00 0.92 H new ATOM 874 N ARG A 147 -1.767 23.228 -6.143 1.00 0.56 N ATOM 875 CA ARG A 147 -1.443 22.773 -4.749 1.00 0.54 C ATOM 876 C ARG A 147 -1.639 21.261 -4.588 1.00 0.46 C ATOM 877 O ARG A 147 -2.681 20.715 -4.902 1.00 0.45 O ATOM 878 CB ARG A 147 -2.402 23.538 -3.837 1.00 0.77 C ATOM 879 CG ARG A 147 -1.588 24.385 -2.860 1.00 1.39 C ATOM 880 CD ARG A 147 -2.524 25.074 -1.867 1.00 1.79 C ATOM 881 NE ARG A 147 -1.616 25.690 -0.854 1.00 2.55 N ATOM 882 CZ ARG A 147 -1.518 26.986 -0.766 1.00 2.87 C ATOM 883 NH1 ARG A 147 -0.993 27.668 -1.745 1.00 3.37 N1+ ATOM 884 NH2 ARG A 147 -1.939 27.599 0.304 1.00 3.10 N ATOM 0 H ARG A 147 -2.749 23.160 -6.409 1.00 0.56 H new ATOM 0 HA ARG A 147 -0.399 22.970 -4.505 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -3.059 24.174 -4.430 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -3.039 22.842 -3.292 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -0.875 23.756 -2.326 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -1.009 25.130 -3.405 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -3.138 25.828 -2.359 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -3.206 24.360 -1.405 1.00 1.79 H new ATOM 0 HE ARG A 147 -1.071 25.095 -0.230 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -0.659 27.187 -2.580 1.00 3.37 H new ATOM 0 HH12 ARG A 147 -0.916 28.683 -1.676 1.00 3.37 H new ATOM 0 HH21 ARG A 147 -2.345 27.064 1.072 1.00 3.10 H new ATOM 0 HH22 ARG A 147 -1.863 28.614 0.374 1.00 3.10 H new ATOM 898 N ILE A 148 -0.639 20.587 -4.076 1.00 0.49 N ATOM 899 CA ILE A 148 -0.737 19.111 -3.868 1.00 0.44 C ATOM 900 C ILE A 148 -1.207 18.816 -2.438 1.00 0.46 C ATOM 901 O ILE A 148 -0.736 19.412 -1.487 1.00 0.63 O ATOM 902 CB ILE A 148 0.684 18.583 -4.118 1.00 0.46 C ATOM 903 CG1 ILE A 148 1.053 18.806 -5.585 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.763 17.087 -3.817 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.454 18.254 -5.851 1.00 0.63 C ATOM 0 H ILE A 148 0.249 21.001 -3.791 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.458 18.635 -4.532 1.00 0.44 H new ATOM 0 HB ILE A 148 1.373 19.117 -3.464 1.00 0.46 H new ATOM 0 HG12 ILE A 148 0.328 18.312 -6.232 1.00 0.56 H new ATOM 0 HG13 ILE A 148 1.019 19.870 -5.821 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.777 16.732 -4.000 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.500 16.911 -2.774 1.00 0.47 H new ATOM 0 HG23 ILE A 148 0.068 16.549 -4.462 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.715 18.414 -6.897 1.00 0.63 H new ATOM 0 HD12 ILE A 148 3.174 18.768 -5.214 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.472 17.187 -5.631 1.00 0.63 H new ATOM 917 N ASP A 149 -2.144 17.914 -2.286 1.00 0.48 N ATOM 918 CA ASP A 149 -2.663 17.597 -0.921 1.00 0.53 C ATOM 919 C ASP A 149 -2.288 16.169 -0.491 1.00 0.53 C ATOM 920 O ASP A 149 -1.867 15.351 -1.288 1.00 0.63 O ATOM 921 CB ASP A 149 -4.186 17.750 -1.038 1.00 0.58 C ATOM 922 CG ASP A 149 -4.843 17.441 0.309 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.498 18.095 1.279 1.00 1.65 O ATOM 924 OD2 ASP A 149 -5.670 16.551 0.349 1.00 1.84 O ATOM 0 H ASP A 149 -2.571 17.385 -3.046 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.236 18.255 -0.164 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.436 18.764 -1.351 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.571 17.076 -1.804 1.00 0.58 H new ATOM 929 N TYR A 150 -2.449 15.881 0.779 1.00 0.58 N ATOM 930 CA TYR A 150 -2.124 14.523 1.325 1.00 0.60 C ATOM 931 C TYR A 150 -2.952 13.437 0.619 1.00 0.59 C ATOM 932 O TYR A 150 -2.462 12.355 0.353 1.00 0.63 O ATOM 933 CB TYR A 150 -2.494 14.626 2.811 1.00 0.73 C ATOM 934 CG TYR A 150 -2.393 13.278 3.488 1.00 0.72 C ATOM 935 CD1 TYR A 150 -3.462 12.377 3.415 1.00 1.22 C ATOM 936 CD2 TYR A 150 -1.237 12.936 4.202 1.00 1.15 C ATOM 937 CE1 TYR A 150 -3.378 11.138 4.055 1.00 1.56 C ATOM 938 CE2 TYR A 150 -1.152 11.694 4.841 1.00 1.43 C ATOM 939 CZ TYR A 150 -2.224 10.794 4.767 1.00 1.48 C ATOM 940 OH TYR A 150 -2.146 9.573 5.402 1.00 1.96 O ATOM 0 H TYR A 150 -2.798 16.542 1.473 1.00 0.58 H new ATOM 0 HA TYR A 150 -1.081 14.244 1.173 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -1.832 15.336 3.306 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -3.508 15.012 2.911 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -4.352 12.640 2.863 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -0.412 13.631 4.259 1.00 1.15 H new ATOM 0 HE1 TYR A 150 -4.205 10.445 4.000 1.00 1.56 H new ATOM 0 HE2 TYR A 150 -0.261 11.429 5.391 1.00 1.43 H new ATOM 0 HH TYR A 150 -1.751 8.913 4.795 1.00 1.96 H new ATOM 950 N ASP A 151 -4.197 13.716 0.308 1.00 0.64 N ATOM 951 CA ASP A 151 -5.046 12.696 -0.388 1.00 0.70 C ATOM 952 C ASP A 151 -4.432 12.340 -1.748 1.00 0.63 C ATOM 953 O ASP A 151 -4.280 11.178 -2.085 1.00 0.77 O ATOM 954 CB ASP A 151 -6.413 13.366 -0.570 1.00 0.79 C ATOM 955 CG ASP A 151 -7.337 12.979 0.585 1.00 1.24 C ATOM 956 OD1 ASP A 151 -7.219 13.579 1.641 1.00 1.83 O ATOM 957 OD2 ASP A 151 -8.148 12.089 0.394 1.00 1.90 O ATOM 0 H ASP A 151 -4.660 14.603 0.505 1.00 0.64 H new ATOM 0 HA ASP A 151 -5.125 11.768 0.179 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.295 14.449 -0.607 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.854 13.061 -1.519 1.00 0.79 H new ATOM 962 N GLU A 152 -4.056 13.331 -2.523 1.00 0.54 N ATOM 963 CA GLU A 152 -3.430 13.054 -3.855 1.00 0.56 C ATOM 964 C GLU A 152 -2.008 12.503 -3.661 1.00 0.52 C ATOM 965 O GLU A 152 -1.487 11.797 -4.504 1.00 0.65 O ATOM 966 CB GLU A 152 -3.405 14.407 -4.574 1.00 0.60 C ATOM 967 CG GLU A 152 -4.705 14.589 -5.365 1.00 0.77 C ATOM 968 CD GLU A 152 -4.859 16.051 -5.780 1.00 0.72 C ATOM 969 OE1 GLU A 152 -5.266 16.843 -4.949 1.00 1.17 O ATOM 970 OE2 GLU A 152 -4.569 16.357 -6.925 1.00 1.40 O ATOM 0 H GLU A 152 -4.156 14.319 -2.290 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.980 12.308 -4.429 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.291 15.214 -3.850 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.548 14.458 -5.245 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -4.696 13.950 -6.248 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.557 14.282 -4.758 1.00 0.77 H new ATOM 977 N PHE A 153 -1.388 12.808 -2.542 1.00 0.46 N ATOM 978 CA PHE A 153 -0.010 12.291 -2.259 1.00 0.46 C ATOM 979 C PHE A 153 -0.015 10.752 -2.313 1.00 0.50 C ATOM 980 O PHE A 153 0.893 10.139 -2.843 1.00 0.64 O ATOM 981 CB PHE A 153 0.296 12.800 -0.843 1.00 0.49 C ATOM 982 CG PHE A 153 1.774 13.074 -0.679 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.425 13.981 -1.524 1.00 0.52 C ATOM 984 CD2 PHE A 153 2.491 12.425 0.334 1.00 0.62 C ATOM 985 CE1 PHE A 153 3.791 14.236 -1.356 1.00 0.61 C ATOM 986 CE2 PHE A 153 3.856 12.681 0.501 1.00 0.73 C ATOM 987 CZ PHE A 153 4.507 13.584 -0.344 1.00 0.68 C ATOM 0 H PHE A 153 -1.782 13.397 -1.809 1.00 0.46 H new ATOM 0 HA PHE A 153 0.737 12.624 -2.980 1.00 0.46 H new ATOM 0 HB2 PHE A 153 -0.271 13.710 -0.648 1.00 0.49 H new ATOM 0 HB3 PHE A 153 -0.025 12.061 -0.109 1.00 0.49 H new ATOM 0 HD1 PHE A 153 1.874 14.484 -2.305 1.00 0.52 H new ATOM 0 HD2 PHE A 153 1.989 11.726 0.987 1.00 0.62 H new ATOM 0 HE1 PHE A 153 4.293 14.936 -2.007 1.00 0.61 H new ATOM 0 HE2 PHE A 153 4.407 12.181 1.283 1.00 0.73 H new ATOM 0 HZ PHE A 153 5.562 13.779 -0.217 1.00 0.68 H new ATOM 997 N LEU A 154 -1.051 10.132 -1.788 1.00 0.53 N ATOM 998 CA LEU A 154 -1.145 8.634 -1.822 1.00 0.62 C ATOM 999 C LEU A 154 -1.274 8.152 -3.272 1.00 0.65 C ATOM 1000 O LEU A 154 -0.651 7.190 -3.677 1.00 0.83 O ATOM 1001 CB LEU A 154 -2.423 8.292 -1.041 1.00 0.75 C ATOM 1002 CG LEU A 154 -2.089 7.939 0.414 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -1.000 6.864 0.459 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -1.606 9.192 1.147 1.00 1.20 C ATOM 0 H LEU A 154 -1.836 10.601 -1.337 1.00 0.53 H new ATOM 0 HA LEU A 154 -0.263 8.158 -1.394 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -3.109 9.139 -1.067 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -2.933 7.454 -1.516 1.00 0.75 H new ATOM 0 HG LEU A 154 -2.985 7.555 0.901 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -0.771 6.621 1.497 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -1.351 5.969 -0.054 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -0.101 7.236 -0.034 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -1.369 8.940 2.181 1.00 1.20 H new ATOM 0 HD22 LEU A 154 -0.715 9.581 0.655 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -2.390 9.949 1.129 1.00 1.20 H new ATOM 1016 N GLU A 155 -2.083 8.828 -4.051 1.00 0.69 N ATOM 1017 CA GLU A 155 -2.270 8.438 -5.483 1.00 0.81 C ATOM 1018 C GLU A 155 -0.940 8.511 -6.246 1.00 0.76 C ATOM 1019 O GLU A 155 -0.717 7.774 -7.188 1.00 0.90 O ATOM 1020 CB GLU A 155 -3.256 9.467 -6.040 1.00 0.97 C ATOM 1021 CG GLU A 155 -4.652 8.841 -6.143 1.00 1.41 C ATOM 1022 CD GLU A 155 -4.660 7.761 -7.229 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -4.190 8.037 -8.323 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -5.132 6.674 -6.949 1.00 2.57 O ATOM 0 H GLU A 155 -2.625 9.639 -3.754 1.00 0.69 H new ATOM 0 HA GLU A 155 -2.632 7.415 -5.583 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -3.287 10.343 -5.393 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.926 9.807 -7.022 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -4.937 8.407 -5.185 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -5.388 9.610 -6.377 1.00 1.41 H new ATOM 1031 N PHE A 156 -0.061 9.398 -5.848 1.00 0.66 N ATOM 1032 CA PHE A 156 1.252 9.527 -6.550 1.00 0.77 C ATOM 1033 C PHE A 156 2.254 8.476 -6.044 1.00 0.71 C ATOM 1034 O PHE A 156 2.975 7.885 -6.824 1.00 0.88 O ATOM 1035 CB PHE A 156 1.734 10.942 -6.222 1.00 0.84 C ATOM 1036 CG PHE A 156 3.061 11.194 -6.894 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.100 11.541 -8.243 1.00 1.09 C ATOM 1038 CD2 PHE A 156 4.249 11.078 -6.170 1.00 1.49 C ATOM 1039 CE1 PHE A 156 4.324 11.775 -8.876 1.00 1.31 C ATOM 1040 CE2 PHE A 156 5.476 11.312 -6.801 1.00 1.72 C ATOM 1041 CZ PHE A 156 5.513 11.662 -8.154 1.00 1.53 C ATOM 0 H PHE A 156 -0.197 10.039 -5.066 1.00 0.66 H new ATOM 0 HA PHE A 156 1.159 9.363 -7.624 1.00 0.77 H new ATOM 0 HB2 PHE A 156 1.000 11.674 -6.559 1.00 0.84 H new ATOM 0 HB3 PHE A 156 1.833 11.062 -5.143 1.00 0.84 H new ATOM 0 HD1 PHE A 156 2.180 11.630 -8.802 1.00 1.09 H new ATOM 0 HD2 PHE A 156 4.221 10.808 -5.125 1.00 1.49 H new ATOM 0 HE1 PHE A 156 4.350 12.043 -9.922 1.00 1.31 H new ATOM 0 HE2 PHE A 156 6.396 11.222 -6.242 1.00 1.72 H new ATOM 0 HZ PHE A 156 6.460 11.845 -8.640 1.00 1.53 H new ATOM 1051 N MET A 157 2.308 8.247 -4.748 1.00 0.61 N ATOM 1052 CA MET A 157 3.272 7.238 -4.174 1.00 0.69 C ATOM 1053 C MET A 157 3.244 5.910 -4.950 1.00 0.83 C ATOM 1054 O MET A 157 4.235 5.208 -5.015 1.00 1.17 O ATOM 1055 CB MET A 157 2.807 7.005 -2.733 1.00 0.84 C ATOM 1056 CG MET A 157 3.604 7.892 -1.777 1.00 0.92 C ATOM 1057 SD MET A 157 5.355 7.436 -1.834 1.00 1.56 S ATOM 1058 CE MET A 157 5.917 8.877 -2.769 1.00 0.90 C ATOM 0 H MET A 157 1.723 8.717 -4.057 1.00 0.61 H new ATOM 0 HA MET A 157 4.296 7.607 -4.233 1.00 0.69 H new ATOM 0 HB2 MET A 157 1.743 7.225 -2.645 1.00 0.84 H new ATOM 0 HB3 MET A 157 2.938 5.957 -2.465 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.482 8.940 -2.052 1.00 0.92 H new ATOM 0 HG3 MET A 157 3.223 7.782 -0.762 1.00 0.92 H new ATOM 0 HE1 MET A 157 6.638 8.563 -3.523 1.00 0.90 H new ATOM 0 HE2 MET A 157 5.064 9.349 -3.257 1.00 0.90 H new ATOM 0 HE3 MET A 157 6.388 9.589 -2.091 1.00 0.90 H new ATOM 1068 N LYS A 158 2.119 5.559 -5.528 1.00 0.86 N ATOM 1069 CA LYS A 158 2.018 4.274 -6.293 1.00 1.07 C ATOM 1070 C LYS A 158 3.138 4.148 -7.342 1.00 1.36 C ATOM 1071 O LYS A 158 3.592 3.059 -7.636 1.00 1.73 O ATOM 1072 CB LYS A 158 0.647 4.326 -6.975 1.00 1.28 C ATOM 1073 CG LYS A 158 -0.422 3.783 -6.019 1.00 1.66 C ATOM 1074 CD LYS A 158 -1.522 4.833 -5.818 1.00 2.24 C ATOM 1075 CE LYS A 158 -2.659 4.599 -6.821 1.00 2.85 C ATOM 1076 NZ LYS A 158 -2.384 5.531 -7.952 1.00 3.52 N1+ ATOM 0 H LYS A 158 1.261 6.111 -5.503 1.00 0.86 H new ATOM 0 HA LYS A 158 2.125 3.411 -5.636 1.00 1.07 H new ATOM 0 HB2 LYS A 158 0.409 5.351 -7.259 1.00 1.28 H new ATOM 0 HB3 LYS A 158 0.663 3.737 -7.892 1.00 1.28 H new ATOM 0 HG2 LYS A 158 -0.851 2.866 -6.422 1.00 1.66 H new ATOM 0 HG3 LYS A 158 0.030 3.529 -5.060 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -1.907 4.778 -4.800 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -1.110 5.833 -5.950 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -2.677 3.563 -7.160 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -3.630 4.804 -6.370 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -3.277 5.776 -8.425 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -1.937 6.396 -7.588 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -1.746 5.072 -8.633 1.00 3.52 H new