USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 618 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 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.0039) USER MOD Single : A 22 MET CE :methyl -154:sc= -0.119 (180deg=-0.846) USER MOD Single : A 34 MET CE :methyl -173:sc= -0.0438 (180deg=-0.187) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 39 GLN : amide:sc= 0.833 K(o=0.83,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -100:sc= 0 USER MOD Single : A 46 THR OG1 : rot 71:sc= 0.638 USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= 1.31 (180deg=1.08) USER MOD Single : A 52 LYS NZ :NH3+ 174:sc= 2.21 (180deg=2.17) USER MOD Single : A 55 ASN : amide:sc= -0.0299 K(o=-0.03,f=-1) USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD Single : B 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 133 SER OG : rot 180:sc= 0.0431 USER MOD Single : B 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 138 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 139 GLN : amide:sc= -0.0533 X(o=-0.053,f=0) USER MOD Single : B 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 144 SER OG : rot 180:sc= 0 USER MOD Single : B 146 THR OG1 : rot 73:sc= 0.54 USER MOD Single : B 149 LYS NZ :NH3+ -160:sc= 1.29 (180deg=1.08) USER MOD Single : B 152 LYS NZ :NH3+ -167:sc= 2.37 (180deg=1.75) USER MOD Single : B 155 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : B 156 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 10 -9.261 12.327 0.722 1.00 0.00 N ATOM 115 CA PRO A 10 -10.301 11.681 -0.089 1.00 0.00 C ATOM 116 C PRO A 10 -9.783 10.507 -0.933 1.00 0.00 C ATOM 117 O PRO A 10 -8.603 10.411 -1.278 1.00 0.00 O ATOM 118 CB PRO A 10 -10.926 12.794 -0.938 1.00 0.00 C ATOM 119 CG PRO A 10 -9.828 13.854 -1.008 1.00 0.00 C ATOM 120 CD PRO A 10 -9.186 13.741 0.372 1.00 0.00 C ATOM 0 HA PRO A 10 -11.046 11.212 0.554 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.200 12.435 -1.930 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.833 13.187 -0.479 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.115 13.650 -1.807 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.233 14.850 -1.189 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.152 14.086 0.353 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.714 14.355 1.102 1.00 0.00 H new ATOM 128 N ILE A 11 -10.690 9.583 -1.253 1.00 0.00 N ATOM 129 CA ILE A 11 -10.334 8.248 -1.750 1.00 0.00 C ATOM 130 C ILE A 11 -9.747 8.223 -3.169 1.00 0.00 C ATOM 131 O ILE A 11 -8.938 7.351 -3.488 1.00 0.00 O ATOM 132 CB ILE A 11 -11.541 7.309 -1.589 1.00 0.00 C ATOM 133 CG1 ILE A 11 -11.080 5.846 -1.692 1.00 0.00 C ATOM 134 CG2 ILE A 11 -12.678 7.611 -2.582 1.00 0.00 C ATOM 135 CD1 ILE A 11 -12.101 4.876 -1.112 1.00 0.00 C ATOM 0 H ILE A 11 -11.695 9.737 -1.176 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.509 7.887 -1.135 1.00 0.00 H new ATOM 0 HB ILE A 11 -11.961 7.485 -0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.899 5.597 -2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.132 5.728 -1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.500 6.914 -2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.031 8.631 -2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.309 7.502 -3.602 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.729 3.856 -1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.263 5.105 -0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -13.042 4.972 -1.653 1.00 0.00 H new ATOM 147 N ASP A 12 -10.094 9.196 -4.009 1.00 0.00 N ATOM 148 CA ASP A 12 -9.494 9.363 -5.339 1.00 0.00 C ATOM 149 C ASP A 12 -8.021 9.821 -5.263 1.00 0.00 C ATOM 150 O ASP A 12 -7.227 9.451 -6.130 1.00 0.00 O ATOM 151 CB ASP A 12 -10.327 10.317 -6.211 1.00 0.00 C ATOM 152 CG ASP A 12 -10.546 11.750 -5.683 1.00 0.00 C ATOM 153 OD1 ASP A 12 -10.334 12.023 -4.479 1.00 0.00 O ATOM 154 OD2 ASP A 12 -10.967 12.621 -6.485 1.00 0.00 O1- ATOM 0 H ASP A 12 -10.802 9.896 -3.789 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.498 8.381 -5.813 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.847 10.387 -7.187 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.305 9.863 -6.368 1.00 0.00 H new ATOM 159 N GLU A 13 -7.627 10.567 -4.223 1.00 0.00 N ATOM 160 CA GLU A 13 -6.254 11.031 -4.022 1.00 0.00 C ATOM 161 C GLU A 13 -5.318 9.881 -3.620 1.00 0.00 C ATOM 162 O GLU A 13 -4.294 9.669 -4.271 1.00 0.00 O ATOM 163 CB GLU A 13 -6.251 12.165 -2.981 1.00 0.00 C ATOM 164 CG GLU A 13 -4.882 12.822 -2.733 1.00 0.00 C ATOM 165 CD GLU A 13 -4.378 13.736 -3.872 1.00 0.00 C ATOM 166 OE1 GLU A 13 -5.014 13.840 -4.950 1.00 0.00 O ATOM 167 OE2 GLU A 13 -3.326 14.395 -3.683 1.00 0.00 O1- ATOM 0 H GLU A 13 -8.266 10.868 -3.487 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.869 11.419 -4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.952 12.935 -3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.623 11.770 -2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.938 13.408 -1.816 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.145 12.037 -2.565 1.00 0.00 H new ATOM 174 N LEU A 14 -5.667 9.101 -2.591 1.00 0.00 N ATOM 175 CA LEU A 14 -4.849 7.952 -2.171 1.00 0.00 C ATOM 176 C LEU A 14 -4.801 6.842 -3.249 1.00 0.00 C ATOM 177 O LEU A 14 -3.751 6.231 -3.448 1.00 0.00 O ATOM 178 CB LEU A 14 -5.302 7.452 -0.786 1.00 0.00 C ATOM 179 CG LEU A 14 -6.741 6.918 -0.689 1.00 0.00 C ATOM 180 CD1 LEU A 14 -6.766 5.398 -0.760 1.00 0.00 C ATOM 181 CD2 LEU A 14 -7.400 7.310 0.633 1.00 0.00 C ATOM 0 H LEU A 14 -6.509 9.242 -2.033 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.815 8.281 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.622 6.661 -0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.193 8.271 -0.075 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.283 7.356 -1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.796 5.047 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.336 5.071 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.185 4.986 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.415 6.915 0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.825 6.899 1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.431 8.396 0.716 1.00 0.00 H new ATOM 193 N SER A 15 -5.893 6.637 -4.000 1.00 0.00 N ATOM 194 CA SER A 15 -5.932 5.777 -5.192 1.00 0.00 C ATOM 195 C SER A 15 -4.996 6.275 -6.310 1.00 0.00 C ATOM 196 O SER A 15 -4.267 5.476 -6.902 1.00 0.00 O ATOM 197 CB SER A 15 -7.377 5.688 -5.695 1.00 0.00 C ATOM 198 OG SER A 15 -7.469 4.911 -6.879 1.00 0.00 O ATOM 0 H SER A 15 -6.791 7.073 -3.792 1.00 0.00 H new ATOM 0 HA SER A 15 -5.573 4.788 -4.909 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.006 5.249 -4.921 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.759 6.691 -5.886 1.00 0.00 H new ATOM 0 HG SER A 15 -8.403 4.872 -7.173 1.00 0.00 H new ATOM 204 N ALA A 16 -4.951 7.582 -6.585 1.00 0.00 N ATOM 205 CA ALA A 16 -4.005 8.156 -7.546 1.00 0.00 C ATOM 206 C ALA A 16 -2.546 7.984 -7.087 1.00 0.00 C ATOM 207 O ALA A 16 -1.693 7.593 -7.886 1.00 0.00 O ATOM 208 CB ALA A 16 -4.336 9.635 -7.782 1.00 0.00 C ATOM 0 H ALA A 16 -5.566 8.269 -6.150 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.107 7.614 -8.486 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.630 10.056 -8.497 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.348 9.723 -8.177 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.266 10.178 -6.840 1.00 0.00 H new ATOM 214 N LEU A 17 -2.264 8.225 -5.805 1.00 0.00 N ATOM 215 CA LEU A 17 -0.918 8.117 -5.232 1.00 0.00 C ATOM 216 C LEU A 17 -0.355 6.690 -5.310 1.00 0.00 C ATOM 217 O LEU A 17 0.783 6.528 -5.751 1.00 0.00 O ATOM 218 CB LEU A 17 -0.919 8.668 -3.790 1.00 0.00 C ATOM 219 CG LEU A 17 -0.465 10.143 -3.675 1.00 0.00 C ATOM 220 CD1 LEU A 17 -1.233 11.135 -4.554 1.00 0.00 C ATOM 221 CD2 LEU A 17 -0.618 10.608 -2.228 1.00 0.00 C ATOM 0 H LEU A 17 -2.972 8.504 -5.126 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.244 8.726 -5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.924 8.576 -3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.265 8.049 -3.176 1.00 0.00 H new ATOM 0 HG LEU A 17 0.569 10.144 -4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.838 12.139 -4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.118 10.857 -5.602 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.290 11.115 -4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.299 11.647 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.662 10.524 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.002 9.986 -1.579 1.00 0.00 H new ATOM 233 N LEU A 18 -1.121 5.644 -4.966 1.00 0.00 N ATOM 234 CA LEU A 18 -0.619 4.260 -5.061 1.00 0.00 C ATOM 235 C LEU A 18 -0.388 3.814 -6.513 1.00 0.00 C ATOM 236 O LEU A 18 0.581 3.107 -6.791 1.00 0.00 O ATOM 237 CB LEU A 18 -1.507 3.296 -4.247 1.00 0.00 C ATOM 238 CG LEU A 18 -2.822 2.835 -4.912 1.00 0.00 C ATOM 239 CD1 LEU A 18 -2.662 1.530 -5.708 1.00 0.00 C ATOM 240 CD2 LEU A 18 -3.873 2.578 -3.842 1.00 0.00 C ATOM 0 H LEU A 18 -2.078 5.725 -4.624 1.00 0.00 H new ATOM 0 HA LEU A 18 0.370 4.230 -4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.918 2.411 -4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.755 3.778 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.116 3.632 -5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.619 1.255 -6.153 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.923 1.673 -6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.331 0.735 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.800 2.253 -4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.519 1.802 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.053 3.495 -3.281 1.00 0.00 H new ATOM 252 N ARG A 19 -1.226 4.266 -7.458 1.00 0.00 N ATOM 253 CA ARG A 19 -1.021 4.052 -8.901 1.00 0.00 C ATOM 254 C ARG A 19 0.236 4.769 -9.405 1.00 0.00 C ATOM 255 O ARG A 19 1.066 4.150 -10.070 1.00 0.00 O ATOM 256 CB ARG A 19 -2.281 4.503 -9.658 1.00 0.00 C ATOM 257 CG ARG A 19 -3.435 3.510 -9.473 1.00 0.00 C ATOM 258 CD ARG A 19 -4.664 4.033 -10.218 1.00 0.00 C ATOM 259 NE ARG A 19 -5.853 3.169 -10.061 1.00 0.00 N ATOM 260 CZ ARG A 19 -6.134 2.067 -10.732 1.00 0.00 C ATOM 261 NH1 ARG A 19 -5.330 1.540 -11.613 1.00 0.00 N1+ ATOM 262 NH2 ARG A 19 -7.267 1.464 -10.526 1.00 0.00 N ATOM 0 H ARG A 19 -2.071 4.794 -7.242 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.859 2.990 -9.086 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.587 5.487 -9.303 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.053 4.603 -10.719 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.153 2.529 -9.854 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.660 3.387 -8.414 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.900 5.034 -9.857 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.427 4.124 -11.278 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.532 3.456 -9.356 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.432 1.981 -11.813 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.599 0.686 -12.102 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.931 1.843 -9.850 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.492 0.612 -11.040 1.00 0.00 H new ATOM 276 N GLN A 20 0.423 6.033 -9.027 1.00 0.00 N ATOM 277 CA GLN A 20 1.595 6.841 -9.394 1.00 0.00 C ATOM 278 C GLN A 20 2.901 6.293 -8.799 1.00 0.00 C ATOM 279 O GLN A 20 3.940 6.351 -9.461 1.00 0.00 O ATOM 280 CB GLN A 20 1.363 8.300 -8.970 1.00 0.00 C ATOM 281 CG GLN A 20 0.362 9.013 -9.893 1.00 0.00 C ATOM 282 CD GLN A 20 -0.197 10.325 -9.334 1.00 0.00 C ATOM 283 OE1 GLN A 20 -1.298 10.749 -9.663 1.00 0.00 O ATOM 284 NE2 GLN A 20 0.516 11.033 -8.480 1.00 0.00 N ATOM 0 H GLN A 20 -0.246 6.538 -8.446 1.00 0.00 H new ATOM 0 HA GLN A 20 1.711 6.790 -10.477 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.993 8.326 -7.945 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.312 8.836 -8.980 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.849 9.218 -10.846 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.468 8.337 -10.098 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.436 10.704 -8.188 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.147 11.909 -8.111 1.00 0.00 H new ATOM 293 N GLU A 21 2.872 5.691 -7.602 1.00 0.00 N ATOM 294 CA GLU A 21 4.026 4.982 -7.020 1.00 0.00 C ATOM 295 C GLU A 21 4.498 3.799 -7.879 1.00 0.00 C ATOM 296 O GLU A 21 5.701 3.583 -8.032 1.00 0.00 O ATOM 297 CB GLU A 21 3.688 4.481 -5.595 1.00 0.00 C ATOM 298 CG GLU A 21 3.784 5.568 -4.511 1.00 0.00 C ATOM 299 CD GLU A 21 5.195 6.159 -4.349 1.00 0.00 C ATOM 300 OE1 GLU A 21 6.179 5.505 -4.763 1.00 0.00 O ATOM 301 OE2 GLU A 21 5.310 7.285 -3.809 1.00 0.00 O1- ATOM 0 H GLU A 21 2.045 5.681 -7.005 1.00 0.00 H new ATOM 0 HA GLU A 21 4.843 5.703 -6.981 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.678 4.071 -5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.364 3.665 -5.338 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.089 6.372 -4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.465 5.147 -3.558 1.00 0.00 H new ATOM 308 N MET A 22 3.564 3.059 -8.495 1.00 0.00 N ATOM 309 CA MET A 22 3.841 1.987 -9.467 1.00 0.00 C ATOM 310 C MET A 22 3.970 2.475 -10.928 1.00 0.00 C ATOM 311 O MET A 22 4.147 1.662 -11.839 1.00 0.00 O ATOM 312 CB MET A 22 2.773 0.886 -9.315 1.00 0.00 C ATOM 313 CG MET A 22 3.055 0.035 -8.071 1.00 0.00 C ATOM 314 SD MET A 22 1.759 -1.170 -7.655 1.00 0.00 S ATOM 315 CE MET A 22 0.619 -0.054 -6.804 1.00 0.00 C ATOM 0 H MET A 22 2.567 3.192 -8.327 1.00 0.00 H new ATOM 0 HA MET A 22 4.826 1.581 -9.236 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.784 1.338 -9.238 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.765 0.253 -10.202 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.993 -0.500 -8.220 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.199 0.700 -7.219 1.00 0.00 H new ATOM 0 HE1 MET A 22 0.018 -0.621 -6.093 1.00 0.00 H new ATOM 0 HE2 MET A 22 1.187 0.709 -6.272 1.00 0.00 H new ATOM 0 HE3 MET A 22 -0.035 0.423 -7.533 1.00 0.00 H new ATOM 325 N GLY A 23 3.912 3.787 -11.173 1.00 0.00 N ATOM 326 CA GLY A 23 4.038 4.394 -12.507 1.00 0.00 C ATOM 327 C GLY A 23 2.834 4.196 -13.441 1.00 0.00 C ATOM 328 O GLY A 23 2.955 4.420 -14.648 1.00 0.00 O ATOM 0 H GLY A 23 3.773 4.476 -10.434 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.209 5.464 -12.385 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.923 3.983 -12.992 1.00 0.00 H new ATOM 420 N MET A 34 -16.759 -4.584 -4.074 1.00 0.00 N ATOM 421 CA MET A 34 -15.806 -5.512 -3.450 1.00 0.00 C ATOM 422 C MET A 34 -14.620 -5.841 -4.386 1.00 0.00 C ATOM 423 O MET A 34 -13.481 -5.960 -3.934 1.00 0.00 O ATOM 424 CB MET A 34 -16.573 -6.784 -3.062 1.00 0.00 C ATOM 425 CG MET A 34 -15.800 -7.711 -2.112 1.00 0.00 C ATOM 426 SD MET A 34 -16.257 -7.624 -0.352 1.00 0.00 S ATOM 427 CE MET A 34 -15.758 -5.929 0.066 1.00 0.00 C ATOM 0 HA MET A 34 -15.372 -5.046 -2.565 1.00 0.00 H new ATOM 0 HB2 MET A 34 -17.514 -6.500 -2.591 1.00 0.00 H new ATOM 0 HB3 MET A 34 -16.824 -7.336 -3.968 1.00 0.00 H new ATOM 0 HG2 MET A 34 -15.936 -8.738 -2.450 1.00 0.00 H new ATOM 0 HG3 MET A 34 -14.738 -7.484 -2.201 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.862 -5.773 1.140 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.719 -5.774 -0.224 1.00 0.00 H new ATOM 0 HE3 MET A 34 -16.393 -5.221 -0.466 1.00 0.00 H new ATOM 437 N GLN A 35 -14.868 -5.900 -5.700 1.00 0.00 N ATOM 438 CA GLN A 35 -13.829 -6.121 -6.715 1.00 0.00 C ATOM 439 C GLN A 35 -12.829 -4.953 -6.817 1.00 0.00 C ATOM 440 O GLN A 35 -11.651 -5.178 -7.095 1.00 0.00 O ATOM 441 CB GLN A 35 -14.498 -6.346 -8.082 1.00 0.00 C ATOM 442 CG GLN A 35 -15.396 -7.595 -8.113 1.00 0.00 C ATOM 443 CD GLN A 35 -16.019 -7.877 -9.484 1.00 0.00 C ATOM 444 OE1 GLN A 35 -15.843 -7.158 -10.463 1.00 0.00 O ATOM 445 NE2 GLN A 35 -16.787 -8.940 -9.617 1.00 0.00 N ATOM 0 H GLN A 35 -15.803 -5.795 -6.093 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.260 -7.000 -6.411 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.094 -5.470 -8.337 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.727 -6.440 -8.847 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.809 -8.461 -7.807 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.194 -7.475 -7.380 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.950 -9.554 -8.819 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.218 -9.148 -10.518 1.00 0.00 H new ATOM 454 N ASP A 36 -13.268 -3.710 -6.585 1.00 0.00 N ATOM 455 CA ASP A 36 -12.412 -2.517 -6.663 1.00 0.00 C ATOM 456 C ASP A 36 -11.458 -2.424 -5.459 1.00 0.00 C ATOM 457 O ASP A 36 -10.252 -2.223 -5.622 1.00 0.00 O ATOM 458 CB ASP A 36 -13.285 -1.255 -6.770 1.00 0.00 C ATOM 459 CG ASP A 36 -14.259 -1.256 -7.966 1.00 0.00 C ATOM 460 OD1 ASP A 36 -15.382 -0.710 -7.835 1.00 0.00 O ATOM 461 OD2 ASP A 36 -13.912 -1.782 -9.050 1.00 0.00 O1- ATOM 0 H ASP A 36 -14.235 -3.501 -6.336 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.794 -2.598 -7.557 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.859 -1.145 -5.850 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.635 -0.383 -6.847 1.00 0.00 H new ATOM 466 N ILE A 37 -11.980 -2.635 -4.247 1.00 0.00 N ATOM 467 CA ILE A 37 -11.183 -2.659 -3.013 1.00 0.00 C ATOM 468 C ILE A 37 -10.202 -3.843 -2.987 1.00 0.00 C ATOM 469 O ILE A 37 -9.048 -3.638 -2.611 1.00 0.00 O ATOM 470 CB ILE A 37 -12.084 -2.595 -1.761 1.00 0.00 C ATOM 471 CG1 ILE A 37 -11.241 -2.550 -0.463 1.00 0.00 C ATOM 472 CG2 ILE A 37 -13.124 -3.717 -1.716 1.00 0.00 C ATOM 473 CD1 ILE A 37 -12.068 -2.332 0.811 1.00 0.00 C ATOM 0 H ILE A 37 -12.975 -2.795 -4.092 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.567 -1.760 -2.998 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.645 -1.663 -1.832 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.687 -3.484 -0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.505 -1.750 -0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.727 -3.618 -0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -13.769 -3.650 -2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.618 -4.682 -1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.405 -2.313 1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.601 -1.384 0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.786 -3.145 0.922 1.00 0.00 H new ATOM 485 N GLN A 38 -10.598 -5.047 -3.431 1.00 0.00 N ATOM 486 CA GLN A 38 -9.677 -6.194 -3.517 1.00 0.00 C ATOM 487 C GLN A 38 -8.481 -5.899 -4.440 1.00 0.00 C ATOM 488 O GLN A 38 -7.339 -6.150 -4.057 1.00 0.00 O ATOM 489 CB GLN A 38 -10.406 -7.463 -3.985 1.00 0.00 C ATOM 490 CG GLN A 38 -11.215 -8.148 -2.874 1.00 0.00 C ATOM 491 CD GLN A 38 -11.935 -9.393 -3.391 1.00 0.00 C ATOM 492 OE1 GLN A 38 -13.111 -9.375 -3.730 1.00 0.00 O ATOM 493 NE2 GLN A 38 -11.273 -10.529 -3.487 1.00 0.00 N ATOM 0 H GLN A 38 -11.549 -5.252 -3.736 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.294 -6.365 -2.511 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -11.076 -7.206 -4.806 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.675 -8.169 -4.379 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.550 -8.425 -2.056 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.944 -7.447 -2.469 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.292 -10.572 -3.211 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.742 -11.365 -3.837 1.00 0.00 H new ATOM 502 N GLN A 39 -8.717 -5.319 -5.624 1.00 0.00 N ATOM 503 CA GLN A 39 -7.653 -4.965 -6.577 1.00 0.00 C ATOM 504 C GLN A 39 -6.705 -3.880 -6.036 1.00 0.00 C ATOM 505 O GLN A 39 -5.492 -4.083 -6.034 1.00 0.00 O ATOM 506 CB GLN A 39 -8.264 -4.537 -7.923 1.00 0.00 C ATOM 507 CG GLN A 39 -8.795 -5.738 -8.719 1.00 0.00 C ATOM 508 CD GLN A 39 -9.544 -5.296 -9.975 1.00 0.00 C ATOM 509 OE1 GLN A 39 -9.024 -5.301 -11.088 1.00 0.00 O ATOM 510 NE2 GLN A 39 -10.782 -4.875 -9.835 1.00 0.00 N ATOM 0 H GLN A 39 -9.654 -5.081 -5.950 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.047 -5.858 -6.727 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.076 -3.832 -7.745 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.511 -4.014 -8.513 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.964 -6.385 -9.000 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.459 -6.328 -8.088 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.217 -4.869 -8.913 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.307 -4.554 -10.649 1.00 0.00 H new ATOM 519 N LEU A 40 -7.228 -2.746 -5.549 1.00 0.00 N ATOM 520 CA LEU A 40 -6.410 -1.635 -5.033 1.00 0.00 C ATOM 521 C LEU A 40 -5.609 -2.015 -3.778 1.00 0.00 C ATOM 522 O LEU A 40 -4.425 -1.682 -3.665 1.00 0.00 O ATOM 523 CB LEU A 40 -7.316 -0.428 -4.730 1.00 0.00 C ATOM 524 CG LEU A 40 -7.912 0.276 -5.959 1.00 0.00 C ATOM 525 CD1 LEU A 40 -8.934 1.319 -5.504 1.00 0.00 C ATOM 526 CD2 LEU A 40 -6.839 0.988 -6.787 1.00 0.00 C ATOM 0 H LEU A 40 -8.232 -2.571 -5.501 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.684 -1.382 -5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.134 -0.761 -4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.742 0.301 -4.158 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.380 -0.490 -6.578 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.357 1.818 -6.376 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.731 0.828 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.444 2.055 -4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.304 1.472 -7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.343 1.739 -6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.105 0.261 -7.134 1.00 0.00 H new ATOM 538 N LEU A 41 -6.227 -2.740 -2.845 1.00 0.00 N ATOM 539 CA LEU A 41 -5.598 -3.113 -1.580 1.00 0.00 C ATOM 540 C LEU A 41 -4.592 -4.278 -1.734 1.00 0.00 C ATOM 541 O LEU A 41 -3.631 -4.362 -0.968 1.00 0.00 O ATOM 542 CB LEU A 41 -6.720 -3.347 -0.547 1.00 0.00 C ATOM 543 CG LEU A 41 -6.288 -3.321 0.932 1.00 0.00 C ATOM 544 CD1 LEU A 41 -5.711 -1.964 1.346 1.00 0.00 C ATOM 545 CD2 LEU A 41 -7.503 -3.571 1.835 1.00 0.00 C ATOM 0 H LEU A 41 -7.181 -3.086 -2.947 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.966 -2.305 -1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.488 -2.588 -0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.182 -4.312 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.527 -4.094 1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.422 -1.997 2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.837 -1.739 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.464 -1.189 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.191 -3.551 2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.249 -2.795 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.934 -4.545 1.604 1.00 0.00 H new ATOM 557 N ALA A 42 -4.737 -5.122 -2.766 1.00 0.00 N ATOM 558 CA ALA A 42 -3.694 -6.056 -3.210 1.00 0.00 C ATOM 559 C ALA A 42 -2.546 -5.361 -3.974 1.00 0.00 C ATOM 560 O ALA A 42 -1.382 -5.717 -3.788 1.00 0.00 O ATOM 561 CB ALA A 42 -4.346 -7.145 -4.070 1.00 0.00 C ATOM 0 H ALA A 42 -5.591 -5.175 -3.321 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.234 -6.497 -2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.584 -7.847 -4.408 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.093 -7.676 -3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.826 -6.687 -4.935 1.00 0.00 H new ATOM 567 N LYS A 43 -2.846 -4.356 -4.813 1.00 0.00 N ATOM 568 CA LYS A 43 -1.858 -3.572 -5.583 1.00 0.00 C ATOM 569 C LYS A 43 -0.825 -2.886 -4.680 1.00 0.00 C ATOM 570 O LYS A 43 0.378 -3.077 -4.858 1.00 0.00 O ATOM 571 CB LYS A 43 -2.601 -2.530 -6.452 1.00 0.00 C ATOM 572 CG LYS A 43 -2.847 -2.974 -7.898 1.00 0.00 C ATOM 573 CD LYS A 43 -1.552 -2.912 -8.730 1.00 0.00 C ATOM 574 CE LYS A 43 -1.844 -2.952 -10.234 1.00 0.00 C ATOM 575 NZ LYS A 43 -2.379 -4.266 -10.684 1.00 0.00 N1+ ATOM 0 H LYS A 43 -3.806 -4.056 -4.981 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.304 -4.260 -6.222 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.560 -2.303 -5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.025 -1.605 -6.462 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.239 -3.991 -7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.605 -2.336 -8.353 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.008 -1.999 -8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.906 -3.748 -8.462 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.561 -2.169 -10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.929 -2.730 -10.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.558 -4.236 -11.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.686 -5.013 -10.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.268 -4.469 -10.183 1.00 0.00 H new ATOM 589 N SER A 44 -1.286 -2.122 -3.688 1.00 0.00 N ATOM 590 CA SER A 44 -0.408 -1.447 -2.717 1.00 0.00 C ATOM 591 C SER A 44 0.384 -2.449 -1.854 1.00 0.00 C ATOM 592 O SER A 44 1.585 -2.266 -1.659 1.00 0.00 O ATOM 593 CB SER A 44 -1.226 -0.486 -1.851 1.00 0.00 C ATOM 594 OG SER A 44 -2.277 -1.160 -1.183 1.00 0.00 O ATOM 0 H SER A 44 -2.279 -1.951 -3.531 1.00 0.00 H new ATOM 0 HA SER A 44 0.330 -0.872 -3.275 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.574 -0.009 -1.119 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.639 0.307 -2.475 1.00 0.00 H new ATOM 0 HG SER A 44 -3.118 -1.012 -1.664 1.00 0.00 H new ATOM 600 N LEU A 45 -0.229 -3.560 -1.439 1.00 0.00 N ATOM 601 CA LEU A 45 0.443 -4.655 -0.720 1.00 0.00 C ATOM 602 C LEU A 45 1.558 -5.312 -1.562 1.00 0.00 C ATOM 603 O LEU A 45 2.652 -5.568 -1.058 1.00 0.00 O ATOM 604 CB LEU A 45 -0.659 -5.626 -0.236 1.00 0.00 C ATOM 605 CG LEU A 45 -0.261 -6.890 0.547 1.00 0.00 C ATOM 606 CD1 LEU A 45 0.154 -8.047 -0.360 1.00 0.00 C ATOM 607 CD2 LEU A 45 0.824 -6.637 1.590 1.00 0.00 C ATOM 0 H LEU A 45 -1.223 -3.731 -1.594 1.00 0.00 H new ATOM 0 HA LEU A 45 0.983 -4.281 0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.346 -5.056 0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.220 -5.948 -1.113 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.171 -7.178 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.423 -8.909 0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.676 -8.311 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.011 -7.747 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.057 -7.569 2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.721 -6.260 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.470 -5.902 2.312 1.00 0.00 H new ATOM 619 N THR A 46 1.331 -5.510 -2.862 1.00 0.00 N ATOM 620 CA THR A 46 2.350 -6.034 -3.793 1.00 0.00 C ATOM 621 C THR A 46 3.568 -5.101 -3.883 1.00 0.00 C ATOM 622 O THR A 46 4.709 -5.566 -3.846 1.00 0.00 O ATOM 623 CB THR A 46 1.756 -6.283 -5.195 1.00 0.00 C ATOM 624 OG1 THR A 46 0.723 -7.245 -5.124 1.00 0.00 O ATOM 625 CG2 THR A 46 2.779 -6.826 -6.201 1.00 0.00 C ATOM 0 H THR A 46 0.434 -5.313 -3.307 1.00 0.00 H new ATOM 0 HA THR A 46 2.687 -6.989 -3.391 1.00 0.00 H new ATOM 0 HB THR A 46 1.398 -5.310 -5.533 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.055 -6.857 -4.671 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.295 -6.978 -7.166 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.594 -6.111 -6.313 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.176 -7.775 -5.840 1.00 0.00 H new ATOM 633 N GLU A 47 3.354 -3.784 -3.939 1.00 0.00 N ATOM 634 CA GLU A 47 4.453 -2.805 -3.979 1.00 0.00 C ATOM 635 C GLU A 47 5.265 -2.754 -2.667 1.00 0.00 C ATOM 636 O GLU A 47 6.486 -2.612 -2.718 1.00 0.00 O ATOM 637 CB GLU A 47 3.884 -1.433 -4.374 1.00 0.00 C ATOM 638 CG GLU A 47 4.910 -0.295 -4.531 1.00 0.00 C ATOM 639 CD GLU A 47 5.806 -0.379 -5.774 1.00 0.00 C ATOM 640 OE1 GLU A 47 6.023 -1.478 -6.330 1.00 0.00 O ATOM 641 OE2 GLU A 47 6.301 0.690 -6.204 1.00 0.00 O1- ATOM 0 H GLU A 47 2.424 -3.365 -3.958 1.00 0.00 H new ATOM 0 HA GLU A 47 5.172 -3.123 -4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.346 -1.543 -5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.153 -1.135 -3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.373 0.653 -4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.547 -0.279 -3.646 1.00 0.00 H new ATOM 648 N ILE A 48 4.636 -2.955 -1.499 1.00 0.00 N ATOM 649 CA ILE A 48 5.354 -3.145 -0.223 1.00 0.00 C ATOM 650 C ILE A 48 6.291 -4.356 -0.336 1.00 0.00 C ATOM 651 O ILE A 48 7.485 -4.242 -0.040 1.00 0.00 O ATOM 652 CB ILE A 48 4.389 -3.310 0.980 1.00 0.00 C ATOM 653 CG1 ILE A 48 3.567 -2.027 1.215 1.00 0.00 C ATOM 654 CG2 ILE A 48 5.160 -3.684 2.265 1.00 0.00 C ATOM 655 CD1 ILE A 48 2.383 -2.252 2.165 1.00 0.00 C ATOM 0 H ILE A 48 3.621 -2.991 -1.409 1.00 0.00 H new ATOM 0 HA ILE A 48 5.939 -2.245 -0.033 1.00 0.00 H new ATOM 0 HB ILE A 48 3.703 -4.122 0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.216 -1.254 1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.196 -1.657 0.259 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.458 -3.793 3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.689 -4.625 2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.878 -2.898 2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.838 -1.317 2.296 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.716 -3.004 1.744 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.752 -2.595 3.132 1.00 0.00 H new ATOM 667 N LYS A 49 5.787 -5.502 -0.807 1.00 0.00 N ATOM 668 CA LYS A 49 6.573 -6.738 -0.950 1.00 0.00 C ATOM 669 C LYS A 49 7.767 -6.578 -1.900 1.00 0.00 C ATOM 670 O LYS A 49 8.844 -7.084 -1.577 1.00 0.00 O ATOM 671 CB LYS A 49 5.668 -7.905 -1.386 1.00 0.00 C ATOM 672 CG LYS A 49 4.749 -8.375 -0.245 1.00 0.00 C ATOM 673 CD LYS A 49 3.808 -9.483 -0.732 1.00 0.00 C ATOM 674 CE LYS A 49 2.896 -10.011 0.384 1.00 0.00 C ATOM 675 NZ LYS A 49 3.623 -10.885 1.336 1.00 0.00 N1+ ATOM 0 H LYS A 49 4.816 -5.601 -1.102 1.00 0.00 H new ATOM 0 HA LYS A 49 6.991 -6.965 0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.061 -7.596 -2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.286 -8.738 -1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.351 -8.741 0.587 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.166 -7.534 0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.195 -9.102 -1.548 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.398 -10.306 -1.134 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.462 -9.170 0.925 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.069 -10.567 -0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.942 -11.477 1.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.284 -11.494 0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.153 -10.298 2.011 1.00 0.00 H new ATOM 689 N ARG A 50 7.634 -5.831 -3.007 1.00 0.00 N ATOM 690 CA ARG A 50 8.767 -5.499 -3.902 1.00 0.00 C ATOM 691 C ARG A 50 9.837 -4.670 -3.189 1.00 0.00 C ATOM 692 O ARG A 50 11.010 -5.039 -3.198 1.00 0.00 O ATOM 693 CB ARG A 50 8.309 -4.757 -5.174 1.00 0.00 C ATOM 694 CG ARG A 50 7.397 -5.583 -6.098 1.00 0.00 C ATOM 695 CD ARG A 50 7.472 -5.133 -7.565 1.00 0.00 C ATOM 696 NE ARG A 50 7.158 -3.703 -7.760 1.00 0.00 N ATOM 697 CZ ARG A 50 7.374 -2.985 -8.846 1.00 0.00 C ATOM 698 NH1 ARG A 50 7.867 -3.491 -9.940 1.00 0.00 N1+ ATOM 699 NH2 ARG A 50 7.082 -1.719 -8.846 1.00 0.00 N ATOM 0 H ARG A 50 6.743 -5.438 -3.311 1.00 0.00 H new ATOM 0 HA ARG A 50 9.201 -6.455 -4.196 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.782 -3.849 -4.880 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.190 -4.447 -5.736 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.676 -6.635 -6.031 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.367 -5.503 -5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.473 -5.332 -7.947 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.780 -5.733 -8.156 1.00 0.00 H new ATOM 0 HE ARG A 50 6.729 -3.219 -6.972 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.104 -4.482 -9.982 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.016 -2.896 -10.755 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.689 -1.286 -8.010 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.246 -1.158 -9.682 1.00 0.00 H new ATOM 713 N LEU A 51 9.449 -3.551 -2.571 1.00 0.00 N ATOM 714 CA LEU A 51 10.394 -2.575 -2.015 1.00 0.00 C ATOM 715 C LEU A 51 11.061 -3.043 -0.712 1.00 0.00 C ATOM 716 O LEU A 51 12.252 -2.780 -0.532 1.00 0.00 O ATOM 717 CB LEU A 51 9.689 -1.217 -1.836 1.00 0.00 C ATOM 718 CG LEU A 51 9.703 -0.290 -3.068 1.00 0.00 C ATOM 719 CD1 LEU A 51 11.110 0.234 -3.354 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.153 -0.929 -4.346 1.00 0.00 C ATOM 0 H LEU A 51 8.470 -3.295 -2.441 1.00 0.00 H new ATOM 0 HA LEU A 51 11.210 -2.468 -2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.652 -1.401 -1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.157 -0.692 -1.004 1.00 0.00 H new ATOM 0 HG LEU A 51 9.035 0.528 -2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.085 0.884 -4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.471 0.797 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.779 -0.605 -3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.200 -0.208 -5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.750 -1.805 -4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.117 -1.229 -4.186 1.00 0.00 H new ATOM 732 N LYS A 52 10.355 -3.784 0.152 1.00 0.00 N ATOM 733 CA LYS A 52 10.961 -4.433 1.334 1.00 0.00 C ATOM 734 C LYS A 52 12.044 -5.435 0.931 1.00 0.00 C ATOM 735 O LYS A 52 13.152 -5.392 1.477 1.00 0.00 O ATOM 736 CB LYS A 52 9.885 -5.123 2.181 1.00 0.00 C ATOM 737 CG LYS A 52 9.023 -4.138 2.983 1.00 0.00 C ATOM 738 CD LYS A 52 8.027 -4.854 3.907 1.00 0.00 C ATOM 739 CE LYS A 52 8.734 -5.592 5.051 1.00 0.00 C ATOM 740 NZ LYS A 52 7.773 -6.357 5.878 1.00 0.00 N1+ ATOM 0 H LYS A 52 9.354 -3.953 0.057 1.00 0.00 H new ATOM 0 HA LYS A 52 11.433 -3.653 1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.240 -5.712 1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.364 -5.820 2.869 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.670 -3.494 3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.477 -3.492 2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.329 -4.126 4.321 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.439 -5.564 3.326 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.483 -6.270 4.641 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.263 -4.874 5.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.292 -6.924 6.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.136 -5.698 6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.215 -6.987 5.268 1.00 0.00 H new ATOM 754 N ALA A 53 11.755 -6.293 -0.052 1.00 0.00 N ATOM 755 CA ALA A 53 12.711 -7.274 -0.567 1.00 0.00 C ATOM 756 C ALA A 53 13.939 -6.602 -1.202 1.00 0.00 C ATOM 757 O ALA A 53 15.063 -7.009 -0.912 1.00 0.00 O ATOM 758 CB ALA A 53 11.989 -8.189 -1.558 1.00 0.00 C ATOM 0 H ALA A 53 10.846 -6.326 -0.514 1.00 0.00 H new ATOM 0 HA ALA A 53 13.093 -7.870 0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.690 -8.926 -1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.171 -8.701 -1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.591 -7.593 -2.380 1.00 0.00 H new ATOM 764 N ALA A 54 13.754 -5.548 -2.007 1.00 0.00 N ATOM 765 CA ALA A 54 14.853 -4.814 -2.639 1.00 0.00 C ATOM 766 C ALA A 54 15.782 -4.135 -1.604 1.00 0.00 C ATOM 767 O ALA A 54 17.006 -4.281 -1.677 1.00 0.00 O ATOM 768 CB ALA A 54 14.258 -3.793 -3.617 1.00 0.00 C ATOM 0 H ALA A 54 12.831 -5.180 -2.238 1.00 0.00 H new ATOM 0 HA ALA A 54 15.483 -5.520 -3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 54 15.063 -3.237 -4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 54 13.674 -4.314 -4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.613 -3.102 -3.074 1.00 0.00 H new ATOM 774 N ASN A 55 15.206 -3.446 -0.611 1.00 0.00 N ATOM 775 CA ASN A 55 15.943 -2.774 0.469 1.00 0.00 C ATOM 776 C ASN A 55 16.744 -3.781 1.326 1.00 0.00 C ATOM 777 O ASN A 55 17.913 -3.543 1.637 1.00 0.00 O ATOM 778 CB ASN A 55 14.916 -1.959 1.278 1.00 0.00 C ATOM 779 CG ASN A 55 15.523 -1.041 2.336 1.00 0.00 C ATOM 780 OD1 ASN A 55 16.255 -1.455 3.225 1.00 0.00 O ATOM 781 ND2 ASN A 55 15.224 0.241 2.297 1.00 0.00 N ATOM 0 H ASN A 55 14.195 -3.337 -0.533 1.00 0.00 H new ATOM 0 HA ASN A 55 16.699 -2.100 0.068 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.326 -1.356 0.588 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.228 -2.649 1.766 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.601 0.874 3.002 1.00 0.00 H new ATOM 0 HD22 ASN A 55 14.615 0.601 1.562 1.00 0.00 H new ATOM 1054 N PRO B 110 -9.337 -13.823 -1.327 1.00 0.00 N ATOM 1055 CA PRO B 110 -10.399 -13.116 -0.605 1.00 0.00 C ATOM 1056 C PRO B 110 -9.884 -11.914 0.202 1.00 0.00 C ATOM 1057 O PRO B 110 -8.721 -11.852 0.609 1.00 0.00 O ATOM 1058 CB PRO B 110 -11.074 -14.163 0.290 1.00 0.00 C ATOM 1059 CG PRO B 110 -9.991 -15.227 0.472 1.00 0.00 C ATOM 1060 CD PRO B 110 -9.282 -15.207 -0.880 1.00 0.00 C ATOM 0 HA PRO B 110 -11.107 -12.679 -1.309 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -11.382 -13.737 1.245 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -11.968 -14.576 -0.178 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -9.313 -14.981 1.290 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -10.416 -16.206 0.693 1.00 0.00 H new ATOM 0 HD2 PRO B 110 -8.251 -15.549 -0.788 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -9.775 -15.869 -1.592 1.00 0.00 H new ATOM 1068 N ILE B 111 -10.780 -10.955 0.457 1.00 0.00 N ATOM 1069 CA ILE B 111 -10.429 -9.672 1.093 1.00 0.00 C ATOM 1070 C ILE B 111 -9.905 -9.813 2.531 1.00 0.00 C ATOM 1071 O ILE B 111 -9.050 -9.037 2.954 1.00 0.00 O ATOM 1072 CB ILE B 111 -11.608 -8.686 0.982 1.00 0.00 C ATOM 1073 CG1 ILE B 111 -11.115 -7.272 1.339 1.00 0.00 C ATOM 1074 CG2 ILE B 111 -12.828 -9.102 1.825 1.00 0.00 C ATOM 1075 CD1 ILE B 111 -12.082 -6.173 0.919 1.00 0.00 C ATOM 0 H ILE B 111 -11.771 -11.042 0.230 1.00 0.00 H new ATOM 0 HA ILE B 111 -9.584 -9.261 0.541 1.00 0.00 H new ATOM 0 HB ILE B 111 -11.963 -8.696 -0.049 1.00 0.00 H new ATOM 0 HG12 ILE B 111 -10.953 -7.212 2.415 1.00 0.00 H new ATOM 0 HG13 ILE B 111 -10.150 -7.100 0.861 1.00 0.00 H new ATOM 0 HG21 ILE B 111 -13.623 -8.366 1.703 1.00 0.00 H new ATOM 0 HG22 ILE B 111 -13.183 -10.078 1.494 1.00 0.00 H new ATOM 0 HG23 ILE B 111 -12.543 -9.157 2.876 1.00 0.00 H new ATOM 0 HD11 ILE B 111 -11.674 -5.202 1.200 1.00 0.00 H new ATOM 0 HD12 ILE B 111 -12.225 -6.207 -0.161 1.00 0.00 H new ATOM 0 HD13 ILE B 111 -13.040 -6.322 1.417 1.00 0.00 H new ATOM 1087 N ASP B 112 -10.352 -10.834 3.266 1.00 0.00 N ATOM 1088 CA ASP B 112 -9.857 -11.131 4.617 1.00 0.00 C ATOM 1089 C ASP B 112 -8.361 -11.512 4.618 1.00 0.00 C ATOM 1090 O ASP B 112 -7.626 -11.155 5.539 1.00 0.00 O ATOM 1091 CB ASP B 112 -10.684 -12.266 5.246 1.00 0.00 C ATOM 1092 CG ASP B 112 -12.206 -12.033 5.305 1.00 0.00 C ATOM 1093 OD1 ASP B 112 -12.670 -10.869 5.221 1.00 0.00 O ATOM 1094 OD2 ASP B 112 -12.953 -13.027 5.473 1.00 0.00 O1- ATOM 0 H ASP B 112 -11.070 -11.482 2.942 1.00 0.00 H new ATOM 0 HA ASP B 112 -9.967 -10.223 5.209 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -10.497 -13.181 4.684 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -10.322 -12.435 6.260 1.00 0.00 H new ATOM 1099 N GLU B 113 -7.893 -12.210 3.575 1.00 0.00 N ATOM 1100 CA GLU B 113 -6.499 -12.642 3.431 1.00 0.00 C ATOM 1101 C GLU B 113 -5.569 -11.459 3.125 1.00 0.00 C ATOM 1102 O GLU B 113 -4.596 -11.251 3.850 1.00 0.00 O ATOM 1103 CB GLU B 113 -6.416 -13.740 2.356 1.00 0.00 C ATOM 1104 CG GLU B 113 -5.020 -14.337 2.131 1.00 0.00 C ATOM 1105 CD GLU B 113 -4.518 -15.273 3.251 1.00 0.00 C ATOM 1106 OE1 GLU B 113 -3.438 -15.887 3.068 1.00 0.00 O ATOM 1107 OE2 GLU B 113 -5.186 -15.427 4.305 1.00 0.00 O1- ATOM 0 H GLU B 113 -8.484 -12.495 2.794 1.00 0.00 H new ATOM 0 HA GLU B 113 -6.154 -13.058 4.378 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -7.097 -14.546 2.630 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -6.773 -13.328 1.412 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -5.026 -14.891 1.192 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -4.307 -13.520 2.015 1.00 0.00 H new ATOM 1114 N LEU B 114 -5.875 -10.644 2.109 1.00 0.00 N ATOM 1115 CA LEU B 114 -5.048 -9.473 1.764 1.00 0.00 C ATOM 1116 C LEU B 114 -5.067 -8.394 2.869 1.00 0.00 C ATOM 1117 O LEU B 114 -4.046 -7.743 3.109 1.00 0.00 O ATOM 1118 CB LEU B 114 -5.425 -8.941 0.370 1.00 0.00 C ATOM 1119 CG LEU B 114 -6.836 -8.349 0.230 1.00 0.00 C ATOM 1120 CD1 LEU B 114 -6.815 -6.835 0.398 1.00 0.00 C ATOM 1121 CD2 LEU B 114 -7.423 -8.651 -1.148 1.00 0.00 C ATOM 0 H LEU B 114 -6.690 -10.771 1.508 1.00 0.00 H new ATOM 0 HA LEU B 114 -4.007 -9.791 1.709 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -4.702 -8.175 0.088 1.00 0.00 H new ATOM 0 HB3 LEU B 114 -5.322 -9.755 -0.347 1.00 0.00 H new ATOM 0 HG LEU B 114 -7.446 -8.806 1.009 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -7.827 -6.443 0.294 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -6.428 -6.584 1.386 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -6.175 -6.393 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -8.422 -8.221 -1.220 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -6.785 -8.218 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -7.482 -9.730 -1.290 1.00 0.00 H new ATOM 1133 N SER B 115 -6.187 -8.261 3.594 1.00 0.00 N ATOM 1134 CA SER B 115 -6.314 -7.385 4.772 1.00 0.00 C ATOM 1135 C SER B 115 -5.435 -7.842 5.950 1.00 0.00 C ATOM 1136 O SER B 115 -4.821 -7.003 6.617 1.00 0.00 O ATOM 1137 CB SER B 115 -7.785 -7.322 5.194 1.00 0.00 C ATOM 1138 OG SER B 115 -7.968 -6.483 6.320 1.00 0.00 O ATOM 0 H SER B 115 -7.046 -8.767 3.376 1.00 0.00 H new ATOM 0 HA SER B 115 -5.960 -6.393 4.490 1.00 0.00 H new ATOM 0 HB2 SER B 115 -8.387 -6.954 4.363 1.00 0.00 H new ATOM 0 HB3 SER B 115 -8.141 -8.326 5.426 1.00 0.00 H new ATOM 0 HG SER B 115 -8.917 -6.463 6.563 1.00 0.00 H new ATOM 1144 N ALA B 116 -5.301 -9.152 6.178 1.00 0.00 N ATOM 1145 CA ALA B 116 -4.356 -9.690 7.161 1.00 0.00 C ATOM 1146 C ALA B 116 -2.891 -9.542 6.699 1.00 0.00 C ATOM 1147 O ALA B 116 -2.025 -9.192 7.507 1.00 0.00 O ATOM 1148 CB ALA B 116 -4.725 -11.151 7.446 1.00 0.00 C ATOM 0 H ALA B 116 -5.841 -9.866 5.689 1.00 0.00 H new ATOM 0 HA ALA B 116 -4.431 -9.114 8.083 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -4.030 -11.566 8.176 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -5.739 -11.200 7.842 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -4.668 -11.727 6.523 1.00 0.00 H new ATOM 1154 N LEU B 117 -2.602 -9.754 5.410 1.00 0.00 N ATOM 1155 CA LEU B 117 -1.252 -9.674 4.840 1.00 0.00 C ATOM 1156 C LEU B 117 -0.645 -8.265 4.921 1.00 0.00 C ATOM 1157 O LEU B 117 0.526 -8.157 5.282 1.00 0.00 O ATOM 1158 CB LEU B 117 -1.252 -10.193 3.385 1.00 0.00 C ATOM 1159 CG LEU B 117 -0.721 -11.630 3.232 1.00 0.00 C ATOM 1160 CD1 LEU B 117 -1.506 -12.674 4.025 1.00 0.00 C ATOM 1161 CD2 LEU B 117 -0.769 -12.027 1.757 1.00 0.00 C ATOM 0 H LEU B 117 -3.315 -9.991 4.720 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.614 -10.314 5.449 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -2.269 -10.149 2.995 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -0.646 -9.526 2.772 1.00 0.00 H new ATOM 0 HG LEU B 117 0.295 -11.619 3.628 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -1.068 -13.659 3.863 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -1.467 -12.430 5.087 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -2.544 -12.679 3.692 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -0.394 -13.044 1.642 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.798 -11.977 1.400 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -0.149 -11.344 1.176 1.00 0.00 H new ATOM 1173 N LEU B 118 -1.389 -7.182 4.655 1.00 0.00 N ATOM 1174 CA LEU B 118 -0.827 -5.817 4.771 1.00 0.00 C ATOM 1175 C LEU B 118 -0.468 -5.459 6.224 1.00 0.00 C ATOM 1176 O LEU B 118 0.547 -4.800 6.472 1.00 0.00 O ATOM 1177 CB LEU B 118 -1.743 -4.787 4.082 1.00 0.00 C ATOM 1178 CG LEU B 118 -3.073 -4.459 4.791 1.00 0.00 C ATOM 1179 CD1 LEU B 118 -2.972 -3.295 5.785 1.00 0.00 C ATOM 1180 CD2 LEU B 118 -4.130 -4.042 3.771 1.00 0.00 C ATOM 0 H LEU B 118 -2.366 -7.216 4.362 1.00 0.00 H new ATOM 0 HA LEU B 118 0.122 -5.790 4.235 1.00 0.00 H new ATOM 0 HB2 LEU B 118 -1.183 -3.859 3.963 1.00 0.00 H new ATOM 0 HB3 LEU B 118 -1.972 -5.152 3.081 1.00 0.00 H new ATOM 0 HG LEU B 118 -3.336 -5.372 5.325 1.00 0.00 H new ATOM 0 HD11 LEU B 118 -3.946 -3.123 6.244 1.00 0.00 H new ATOM 0 HD12 LEU B 118 -2.244 -3.539 6.559 1.00 0.00 H new ATOM 0 HD13 LEU B 118 -2.654 -2.394 5.260 1.00 0.00 H new ATOM 0 HD21 LEU B 118 -5.063 -3.814 4.286 1.00 0.00 H new ATOM 0 HD22 LEU B 118 -3.787 -3.158 3.232 1.00 0.00 H new ATOM 0 HD23 LEU B 118 -4.295 -4.856 3.065 1.00 0.00 H new ATOM 1192 N ARG B 119 -1.253 -5.944 7.194 1.00 0.00 N ATOM 1193 CA ARG B 119 -0.988 -5.777 8.632 1.00 0.00 C ATOM 1194 C ARG B 119 0.215 -6.607 9.078 1.00 0.00 C ATOM 1195 O ARG B 119 1.056 -6.111 9.823 1.00 0.00 O ATOM 1196 CB ARG B 119 -2.250 -6.130 9.436 1.00 0.00 C ATOM 1197 CG ARG B 119 -3.409 -5.158 9.167 1.00 0.00 C ATOM 1198 CD ARG B 119 -4.693 -5.580 9.894 1.00 0.00 C ATOM 1199 NE ARG B 119 -4.521 -5.554 11.361 1.00 0.00 N ATOM 1200 CZ ARG B 119 -5.254 -4.925 12.259 1.00 0.00 C ATOM 1201 NH1 ARG B 119 -6.346 -4.273 11.959 1.00 0.00 N1+ ATOM 1202 NH2 ARG B 119 -4.878 -4.929 13.505 1.00 0.00 N ATOM 0 H ARG B 119 -2.104 -6.472 7.001 1.00 0.00 H new ATOM 0 HA ARG B 119 -0.736 -4.734 8.823 1.00 0.00 H new ATOM 0 HB2 ARG B 119 -2.564 -7.143 9.186 1.00 0.00 H new ATOM 0 HB3 ARG B 119 -2.013 -6.123 10.500 1.00 0.00 H new ATOM 0 HG2 ARG B 119 -3.124 -4.156 9.487 1.00 0.00 H new ATOM 0 HG3 ARG B 119 -3.599 -5.108 8.095 1.00 0.00 H new ATOM 0 HD2 ARG B 119 -5.508 -4.914 9.611 1.00 0.00 H new ATOM 0 HD3 ARG B 119 -4.978 -6.584 9.578 1.00 0.00 H new ATOM 0 HE ARG B 119 -3.735 -6.091 11.726 1.00 0.00 H new ATOM 0 HH11 ARG B 119 -6.667 -4.234 10.992 1.00 0.00 H new ATOM 0 HH12 ARG B 119 -6.877 -3.803 12.692 1.00 0.00 H new ATOM 0 HH21 ARG B 119 -4.024 -5.415 13.778 1.00 0.00 H new ATOM 0 HH22 ARG B 119 -5.437 -4.446 14.208 1.00 0.00 H new ATOM 1216 N GLN B 120 0.345 -7.836 8.572 1.00 0.00 N ATOM 1217 CA GLN B 120 1.479 -8.729 8.803 1.00 0.00 C ATOM 1218 C GLN B 120 2.794 -8.177 8.211 1.00 0.00 C ATOM 1219 O GLN B 120 3.830 -8.220 8.875 1.00 0.00 O ATOM 1220 CB GLN B 120 1.093 -10.101 8.230 1.00 0.00 C ATOM 1221 CG GLN B 120 2.168 -11.169 8.474 1.00 0.00 C ATOM 1222 CD GLN B 120 1.767 -12.536 7.930 1.00 0.00 C ATOM 1223 OE1 GLN B 120 2.390 -13.082 7.025 1.00 0.00 O ATOM 1224 NE2 GLN B 120 0.704 -13.142 8.420 1.00 0.00 N ATOM 0 H GLN B 120 -0.365 -8.250 7.968 1.00 0.00 H new ATOM 0 HA GLN B 120 1.684 -8.817 9.870 1.00 0.00 H new ATOM 0 HB2 GLN B 120 0.155 -10.427 8.679 1.00 0.00 H new ATOM 0 HB3 GLN B 120 0.918 -10.006 7.158 1.00 0.00 H new ATOM 0 HG2 GLN B 120 3.101 -10.855 8.006 1.00 0.00 H new ATOM 0 HG3 GLN B 120 2.360 -11.249 9.544 1.00 0.00 H new ATOM 0 HE21 GLN B 120 0.171 -12.707 9.173 1.00 0.00 H new ATOM 0 HE22 GLN B 120 0.415 -14.046 8.047 1.00 0.00 H new ATOM 1233 N GLU B 121 2.763 -7.597 7.001 1.00 0.00 N ATOM 1234 CA GLU B 121 3.924 -6.921 6.396 1.00 0.00 C ATOM 1235 C GLU B 121 4.344 -5.662 7.173 1.00 0.00 C ATOM 1236 O GLU B 121 5.536 -5.350 7.244 1.00 0.00 O ATOM 1237 CB GLU B 121 3.638 -6.555 4.927 1.00 0.00 C ATOM 1238 CG GLU B 121 3.682 -7.750 3.955 1.00 0.00 C ATOM 1239 CD GLU B 121 5.056 -8.437 3.839 1.00 0.00 C ATOM 1240 OE1 GLU B 121 5.110 -9.545 3.251 1.00 0.00 O ATOM 1241 OE2 GLU B 121 6.080 -7.890 4.318 1.00 0.00 O1- ATOM 0 H GLU B 121 1.930 -7.583 6.412 1.00 0.00 H new ATOM 0 HA GLU B 121 4.753 -7.628 6.441 1.00 0.00 H new ATOM 0 HB2 GLU B 121 2.655 -6.088 4.866 1.00 0.00 H new ATOM 0 HB3 GLU B 121 4.365 -5.811 4.602 1.00 0.00 H new ATOM 0 HG2 GLU B 121 2.948 -8.489 4.276 1.00 0.00 H new ATOM 0 HG3 GLU B 121 3.378 -7.407 2.966 1.00 0.00 H new ATOM 1248 N MET B 122 3.396 -4.971 7.814 1.00 0.00 N ATOM 1249 CA MET B 122 3.648 -3.880 8.768 1.00 0.00 C ATOM 1250 C MET B 122 3.892 -4.360 10.218 1.00 0.00 C ATOM 1251 O MET B 122 3.913 -3.552 11.150 1.00 0.00 O ATOM 1252 CB MET B 122 2.538 -2.823 8.637 1.00 0.00 C ATOM 1253 CG MET B 122 2.669 -2.088 7.293 1.00 0.00 C ATOM 1254 SD MET B 122 1.518 -0.708 7.028 1.00 0.00 S ATOM 1255 CE MET B 122 0.066 -1.597 6.394 1.00 0.00 C ATOM 0 H MET B 122 2.402 -5.159 7.681 1.00 0.00 H new ATOM 0 HA MET B 122 4.596 -3.410 8.505 1.00 0.00 H new ATOM 0 HB2 MET B 122 1.560 -3.300 8.707 1.00 0.00 H new ATOM 0 HB3 MET B 122 2.604 -2.110 9.459 1.00 0.00 H new ATOM 0 HG2 MET B 122 3.687 -1.708 7.206 1.00 0.00 H new ATOM 0 HG3 MET B 122 2.529 -2.812 6.490 1.00 0.00 H new ATOM 0 HE1 MET B 122 -0.732 -0.886 6.182 1.00 0.00 H new ATOM 0 HE2 MET B 122 0.334 -2.125 5.479 1.00 0.00 H new ATOM 0 HE3 MET B 122 -0.276 -2.314 7.140 1.00 0.00 H new ATOM 1349 N SER B 133 -17.079 -0.147 5.147 1.00 0.00 N ATOM 1350 CA SER B 133 -17.329 1.300 5.196 1.00 0.00 C ATOM 1351 C SER B 133 -16.311 2.076 4.353 1.00 0.00 C ATOM 1352 O SER B 133 -15.160 1.648 4.215 1.00 0.00 O ATOM 1353 CB SER B 133 -17.299 1.782 6.652 1.00 0.00 C ATOM 1354 OG SER B 133 -17.482 3.188 6.736 1.00 0.00 O ATOM 0 HA SER B 133 -18.316 1.490 4.773 1.00 0.00 H new ATOM 0 HB2 SER B 133 -18.080 1.277 7.220 1.00 0.00 H new ATOM 0 HB3 SER B 133 -16.347 1.510 7.108 1.00 0.00 H new ATOM 0 HG SER B 133 -17.460 3.465 7.676 1.00 0.00 H new ATOM 1360 N MET B 134 -16.701 3.253 3.846 1.00 0.00 N ATOM 1361 CA MET B 134 -15.772 4.212 3.222 1.00 0.00 C ATOM 1362 C MET B 134 -14.640 4.642 4.174 1.00 0.00 C ATOM 1363 O MET B 134 -13.517 4.896 3.728 1.00 0.00 O ATOM 1364 CB MET B 134 -16.541 5.430 2.686 1.00 0.00 C ATOM 1365 CG MET B 134 -16.944 5.210 1.223 1.00 0.00 C ATOM 1366 SD MET B 134 -15.533 5.285 0.078 1.00 0.00 S ATOM 1367 CE MET B 134 -16.163 4.333 -1.326 1.00 0.00 C ATOM 0 H MET B 134 -17.670 3.570 3.856 1.00 0.00 H new ATOM 0 HA MET B 134 -15.294 3.703 2.385 1.00 0.00 H new ATOM 0 HB2 MET B 134 -17.430 5.602 3.292 1.00 0.00 H new ATOM 0 HB3 MET B 134 -15.922 6.323 2.768 1.00 0.00 H new ATOM 0 HG2 MET B 134 -17.431 4.239 1.128 1.00 0.00 H new ATOM 0 HG3 MET B 134 -17.678 5.964 0.937 1.00 0.00 H new ATOM 0 HE1 MET B 134 -15.405 4.293 -2.108 1.00 0.00 H new ATOM 0 HE2 MET B 134 -16.403 3.321 -1.001 1.00 0.00 H new ATOM 0 HE3 MET B 134 -17.062 4.811 -1.716 1.00 0.00 H new ATOM 1377 N GLN B 135 -14.888 4.658 5.489 1.00 0.00 N ATOM 1378 CA GLN B 135 -13.849 4.900 6.498 1.00 0.00 C ATOM 1379 C GLN B 135 -12.810 3.762 6.549 1.00 0.00 C ATOM 1380 O GLN B 135 -11.614 4.033 6.650 1.00 0.00 O ATOM 1381 CB GLN B 135 -14.496 5.112 7.879 1.00 0.00 C ATOM 1382 CG GLN B 135 -15.393 6.363 7.921 1.00 0.00 C ATOM 1383 CD GLN B 135 -16.007 6.619 9.295 1.00 0.00 C ATOM 1384 OE1 GLN B 135 -17.217 6.684 9.462 1.00 0.00 O ATOM 1385 NE2 GLN B 135 -15.212 6.754 10.339 1.00 0.00 N ATOM 0 H GLN B 135 -15.816 4.503 5.884 1.00 0.00 H new ATOM 0 HA GLN B 135 -13.313 5.804 6.211 1.00 0.00 H new ATOM 0 HB2 GLN B 135 -15.088 4.235 8.138 1.00 0.00 H new ATOM 0 HB3 GLN B 135 -13.714 5.203 8.633 1.00 0.00 H new ATOM 0 HG2 GLN B 135 -14.806 7.233 7.625 1.00 0.00 H new ATOM 0 HG3 GLN B 135 -16.192 6.253 7.188 1.00 0.00 H new ATOM 0 HE21 GLN B 135 -14.200 6.703 10.220 1.00 0.00 H new ATOM 0 HE22 GLN B 135 -15.609 6.910 11.266 1.00 0.00 H new ATOM 1394 N ASP B 136 -13.240 2.502 6.422 1.00 0.00 N ATOM 1395 CA ASP B 136 -12.335 1.338 6.448 1.00 0.00 C ATOM 1396 C ASP B 136 -11.357 1.357 5.267 1.00 0.00 C ATOM 1397 O ASP B 136 -10.144 1.257 5.455 1.00 0.00 O ATOM 1398 CB ASP B 136 -13.108 0.004 6.417 1.00 0.00 C ATOM 1399 CG ASP B 136 -14.210 -0.176 7.467 1.00 0.00 C ATOM 1400 OD1 ASP B 136 -14.150 0.430 8.564 1.00 0.00 O ATOM 1401 OD2 ASP B 136 -15.154 -0.950 7.179 1.00 0.00 O1- ATOM 0 H ASP B 136 -14.222 2.256 6.298 1.00 0.00 H new ATOM 0 HA ASP B 136 -11.782 1.411 7.384 1.00 0.00 H new ATOM 0 HB2 ASP B 136 -13.557 -0.107 5.430 1.00 0.00 H new ATOM 0 HB3 ASP B 136 -12.390 -0.808 6.534 1.00 0.00 H new ATOM 1406 N ILE B 137 -11.877 1.532 4.045 1.00 0.00 N ATOM 1407 CA ILE B 137 -11.070 1.537 2.816 1.00 0.00 C ATOM 1408 C ILE B 137 -10.111 2.735 2.759 1.00 0.00 C ATOM 1409 O ILE B 137 -8.942 2.543 2.422 1.00 0.00 O ATOM 1410 CB ILE B 137 -11.977 1.414 1.570 1.00 0.00 C ATOM 1411 CG1 ILE B 137 -11.138 1.290 0.278 1.00 0.00 C ATOM 1412 CG2 ILE B 137 -12.989 2.560 1.471 1.00 0.00 C ATOM 1413 CD1 ILE B 137 -11.987 1.019 -0.973 1.00 0.00 C ATOM 0 H ILE B 137 -12.873 1.675 3.880 1.00 0.00 H new ATOM 0 HA ILE B 137 -10.426 0.658 2.825 1.00 0.00 H new ATOM 0 HB ILE B 137 -12.553 0.496 1.686 1.00 0.00 H new ATOM 0 HG12 ILE B 137 -10.571 2.209 0.132 1.00 0.00 H new ATOM 0 HG13 ILE B 137 -10.414 0.484 0.399 1.00 0.00 H new ATOM 0 HG21 ILE B 137 -13.602 2.428 0.580 1.00 0.00 H new ATOM 0 HG22 ILE B 137 -13.628 2.559 2.354 1.00 0.00 H new ATOM 0 HG23 ILE B 137 -12.458 3.510 1.409 1.00 0.00 H new ATOM 0 HD11 ILE B 137 -11.337 0.943 -1.845 1.00 0.00 H new ATOM 0 HD12 ILE B 137 -12.534 0.085 -0.846 1.00 0.00 H new ATOM 0 HD13 ILE B 137 -12.693 1.837 -1.117 1.00 0.00 H new ATOM 1425 N GLN B 138 -10.545 3.938 3.157 1.00 0.00 N ATOM 1426 CA GLN B 138 -9.656 5.105 3.216 1.00 0.00 C ATOM 1427 C GLN B 138 -8.510 4.915 4.222 1.00 0.00 C ATOM 1428 O GLN B 138 -7.378 5.301 3.930 1.00 0.00 O ATOM 1429 CB GLN B 138 -10.435 6.389 3.550 1.00 0.00 C ATOM 1430 CG GLN B 138 -11.255 6.904 2.360 1.00 0.00 C ATOM 1431 CD GLN B 138 -12.005 8.190 2.695 1.00 0.00 C ATOM 1432 OE1 GLN B 138 -13.200 8.197 2.967 1.00 0.00 O ATOM 1433 NE2 GLN B 138 -11.355 9.337 2.695 1.00 0.00 N ATOM 0 H GLN B 138 -11.506 4.128 3.443 1.00 0.00 H new ATOM 0 HA GLN B 138 -9.219 5.205 2.223 1.00 0.00 H new ATOM 0 HB2 GLN B 138 -11.102 6.198 4.391 1.00 0.00 H new ATOM 0 HB3 GLN B 138 -9.736 7.162 3.867 1.00 0.00 H new ATOM 0 HG2 GLN B 138 -10.592 7.081 1.513 1.00 0.00 H new ATOM 0 HG3 GLN B 138 -11.968 6.139 2.053 1.00 0.00 H new ATOM 0 HE21 GLN B 138 -10.360 9.359 2.472 1.00 0.00 H new ATOM 0 HE22 GLN B 138 -11.847 10.202 2.918 1.00 0.00 H new ATOM 1442 N GLN B 139 -8.770 4.290 5.377 1.00 0.00 N ATOM 1443 CA GLN B 139 -7.743 3.984 6.381 1.00 0.00 C ATOM 1444 C GLN B 139 -6.758 2.903 5.898 1.00 0.00 C ATOM 1445 O GLN B 139 -5.550 3.146 5.860 1.00 0.00 O ATOM 1446 CB GLN B 139 -8.397 3.577 7.712 1.00 0.00 C ATOM 1447 CG GLN B 139 -9.047 4.775 8.436 1.00 0.00 C ATOM 1448 CD GLN B 139 -10.027 4.380 9.543 1.00 0.00 C ATOM 1449 OE1 GLN B 139 -11.013 5.058 9.807 1.00 0.00 O ATOM 1450 NE2 GLN B 139 -9.814 3.282 10.246 1.00 0.00 N ATOM 0 H GLN B 139 -9.705 3.980 5.643 1.00 0.00 H new ATOM 0 HA GLN B 139 -7.162 4.892 6.539 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -9.153 2.815 7.524 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -7.645 3.127 8.361 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -8.261 5.396 8.866 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -9.572 5.388 7.703 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -9.001 2.699 10.047 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -10.463 3.017 10.987 1.00 0.00 H new ATOM 1459 N LEU B 140 -7.252 1.718 5.515 1.00 0.00 N ATOM 1460 CA LEU B 140 -6.413 0.566 5.146 1.00 0.00 C ATOM 1461 C LEU B 140 -5.576 0.836 3.883 1.00 0.00 C ATOM 1462 O LEU B 140 -4.379 0.545 3.865 1.00 0.00 O ATOM 1463 CB LEU B 140 -7.295 -0.686 4.968 1.00 0.00 C ATOM 1464 CG LEU B 140 -7.511 -1.520 6.245 1.00 0.00 C ATOM 1465 CD1 LEU B 140 -8.152 -0.757 7.406 1.00 0.00 C ATOM 1466 CD2 LEU B 140 -8.396 -2.732 5.925 1.00 0.00 C ATOM 0 H LEU B 140 -8.252 1.529 5.452 1.00 0.00 H new ATOM 0 HA LEU B 140 -5.705 0.393 5.957 1.00 0.00 H new ATOM 0 HB2 LEU B 140 -8.268 -0.375 4.587 1.00 0.00 H new ATOM 0 HB3 LEU B 140 -6.844 -1.324 4.208 1.00 0.00 H new ATOM 0 HG LEU B 140 -6.513 -1.812 6.570 1.00 0.00 H new ATOM 0 HD11 LEU B 140 -8.265 -1.423 8.261 1.00 0.00 H new ATOM 0 HD12 LEU B 140 -7.517 0.084 7.683 1.00 0.00 H new ATOM 0 HD13 LEU B 140 -9.131 -0.388 7.102 1.00 0.00 H new ATOM 0 HD21 LEU B 140 -8.548 -3.321 6.830 1.00 0.00 H new ATOM 0 HD22 LEU B 140 -9.360 -2.389 5.549 1.00 0.00 H new ATOM 0 HD23 LEU B 140 -7.910 -3.348 5.169 1.00 0.00 H new ATOM 1478 N LEU B 141 -6.178 1.424 2.844 1.00 0.00 N ATOM 1479 CA LEU B 141 -5.501 1.680 1.568 1.00 0.00 C ATOM 1480 C LEU B 141 -4.437 2.794 1.690 1.00 0.00 C ATOM 1481 O LEU B 141 -3.367 2.681 1.085 1.00 0.00 O ATOM 1482 CB LEU B 141 -6.578 1.946 0.492 1.00 0.00 C ATOM 1483 CG LEU B 141 -6.104 1.913 -0.968 1.00 0.00 C ATOM 1484 CD1 LEU B 141 -5.474 0.578 -1.351 1.00 0.00 C ATOM 1485 CD2 LEU B 141 -7.298 2.119 -1.905 1.00 0.00 C ATOM 0 H LEU B 141 -7.149 1.736 2.864 1.00 0.00 H new ATOM 0 HA LEU B 141 -4.929 0.805 1.260 1.00 0.00 H new ATOM 0 HB2 LEU B 141 -7.370 1.207 0.611 1.00 0.00 H new ATOM 0 HB3 LEU B 141 -7.021 2.923 0.686 1.00 0.00 H new ATOM 0 HG LEU B 141 -5.361 2.705 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU B 141 -5.157 0.611 -2.393 1.00 0.00 H new ATOM 0 HD12 LEU B 141 -4.610 0.388 -0.715 1.00 0.00 H new ATOM 0 HD13 LEU B 141 -6.204 -0.220 -1.219 1.00 0.00 H new ATOM 0 HD21 LEU B 141 -6.957 2.095 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU B 141 -8.027 1.325 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU B 141 -7.761 3.084 -1.698 1.00 0.00 H new ATOM 1497 N ALA B 142 -4.669 3.813 2.532 1.00 0.00 N ATOM 1498 CA ALA B 142 -3.656 4.815 2.882 1.00 0.00 C ATOM 1499 C ALA B 142 -2.524 4.248 3.764 1.00 0.00 C ATOM 1500 O ALA B 142 -1.364 4.644 3.597 1.00 0.00 O ATOM 1501 CB ALA B 142 -4.331 6.000 3.570 1.00 0.00 C ATOM 0 H ALA B 142 -5.568 3.964 2.990 1.00 0.00 H new ATOM 0 HA ALA B 142 -3.184 5.140 1.955 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -3.580 6.745 3.831 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -5.063 6.443 2.895 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -4.832 5.658 4.475 1.00 0.00 H new ATOM 1507 N LYS B 143 -2.813 3.298 4.674 1.00 0.00 N ATOM 1508 CA LYS B 143 -1.804 2.640 5.512 1.00 0.00 C ATOM 1509 C LYS B 143 -0.776 1.882 4.665 1.00 0.00 C ATOM 1510 O LYS B 143 0.424 2.102 4.831 1.00 0.00 O ATOM 1511 CB LYS B 143 -2.486 1.731 6.550 1.00 0.00 C ATOM 1512 CG LYS B 143 -1.552 1.508 7.740 1.00 0.00 C ATOM 1513 CD LYS B 143 -2.127 0.503 8.751 1.00 0.00 C ATOM 1514 CE LYS B 143 -1.126 0.310 9.896 1.00 0.00 C ATOM 1515 NZ LYS B 143 -1.651 -0.623 10.935 1.00 0.00 N1+ ATOM 0 H LYS B 143 -3.762 2.966 4.846 1.00 0.00 H new ATOM 0 HA LYS B 143 -1.250 3.407 6.053 1.00 0.00 H new ATOM 0 HB2 LYS B 143 -3.418 2.185 6.888 1.00 0.00 H new ATOM 0 HB3 LYS B 143 -2.744 0.775 6.095 1.00 0.00 H new ATOM 0 HG2 LYS B 143 -0.588 1.147 7.380 1.00 0.00 H new ATOM 0 HG3 LYS B 143 -1.370 2.459 8.240 1.00 0.00 H new ATOM 0 HD2 LYS B 143 -3.078 0.865 9.141 1.00 0.00 H new ATOM 0 HD3 LYS B 143 -2.326 -0.450 8.261 1.00 0.00 H new ATOM 0 HE2 LYS B 143 -0.188 -0.078 9.498 1.00 0.00 H new ATOM 0 HE3 LYS B 143 -0.904 1.275 10.352 1.00 0.00 H new ATOM 0 HZ1 LYS B 143 -0.947 -0.729 11.693 1.00 0.00 H new ATOM 0 HZ2 LYS B 143 -2.533 -0.240 11.332 1.00 0.00 H new ATOM 0 HZ3 LYS B 143 -1.839 -1.551 10.505 1.00 0.00 H new ATOM 1529 N SER B 144 -1.227 1.083 3.690 1.00 0.00 N ATOM 1530 CA SER B 144 -0.340 0.430 2.719 1.00 0.00 C ATOM 1531 C SER B 144 0.457 1.428 1.870 1.00 0.00 C ATOM 1532 O SER B 144 1.664 1.260 1.695 1.00 0.00 O ATOM 1533 CB SER B 144 -1.141 -0.493 1.797 1.00 0.00 C ATOM 1534 OG SER B 144 -1.756 -1.522 2.548 1.00 0.00 O ATOM 0 H SER B 144 -2.215 0.871 3.552 1.00 0.00 H new ATOM 0 HA SER B 144 0.376 -0.150 3.302 1.00 0.00 H new ATOM 0 HB2 SER B 144 -1.899 0.082 1.265 1.00 0.00 H new ATOM 0 HB3 SER B 144 -0.483 -0.926 1.044 1.00 0.00 H new ATOM 0 HG SER B 144 -2.267 -2.105 1.948 1.00 0.00 H new ATOM 1540 N LEU B 145 -0.175 2.510 1.398 1.00 0.00 N ATOM 1541 CA LEU B 145 0.495 3.571 0.628 1.00 0.00 C ATOM 1542 C LEU B 145 1.606 4.278 1.430 1.00 0.00 C ATOM 1543 O LEU B 145 2.688 4.540 0.904 1.00 0.00 O ATOM 1544 CB LEU B 145 -0.599 4.514 0.073 1.00 0.00 C ATOM 1545 CG LEU B 145 -0.187 5.702 -0.825 1.00 0.00 C ATOM 1546 CD1 LEU B 145 0.275 6.918 -0.027 1.00 0.00 C ATOM 1547 CD2 LEU B 145 0.872 5.324 -1.867 1.00 0.00 C ATOM 0 H LEU B 145 -1.171 2.677 1.539 1.00 0.00 H new ATOM 0 HA LEU B 145 1.039 3.143 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -1.302 3.903 -0.493 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -1.144 4.920 0.925 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.098 5.976 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.551 7.719 -0.712 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.534 7.257 0.621 1.00 0.00 H new ATOM 0 HD13 LEU B 145 1.138 6.647 0.581 1.00 0.00 H new ATOM 0 HD21 LEU B 145 1.121 6.199 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU B 145 1.768 4.965 -1.361 1.00 0.00 H new ATOM 0 HD23 LEU B 145 0.481 4.539 -2.515 1.00 0.00 H new ATOM 1559 N THR B 146 1.392 4.514 2.725 1.00 0.00 N ATOM 1560 CA THR B 146 2.405 5.094 3.624 1.00 0.00 C ATOM 1561 C THR B 146 3.636 4.187 3.767 1.00 0.00 C ATOM 1562 O THR B 146 4.769 4.668 3.754 1.00 0.00 O ATOM 1563 CB THR B 146 1.790 5.392 5.002 1.00 0.00 C ATOM 1564 OG1 THR B 146 0.724 6.311 4.878 1.00 0.00 O ATOM 1565 CG2 THR B 146 2.782 6.014 5.980 1.00 0.00 C ATOM 0 H THR B 146 0.507 4.309 3.188 1.00 0.00 H new ATOM 0 HA THR B 146 2.743 6.029 3.176 1.00 0.00 H new ATOM 0 HB THR B 146 1.460 4.426 5.385 1.00 0.00 H new ATOM 0 HG1 THR B 146 -0.048 5.864 4.471 1.00 0.00 H new ATOM 0 HG21 THR B 146 2.286 6.200 6.933 1.00 0.00 H new ATOM 0 HG22 THR B 146 3.618 5.332 6.133 1.00 0.00 H new ATOM 0 HG23 THR B 146 3.152 6.956 5.574 1.00 0.00 H new ATOM 1573 N GLU B 147 3.450 2.865 3.840 1.00 0.00 N ATOM 1574 CA GLU B 147 4.548 1.890 3.946 1.00 0.00 C ATOM 1575 C GLU B 147 5.415 1.813 2.674 1.00 0.00 C ATOM 1576 O GLU B 147 6.636 1.680 2.767 1.00 0.00 O ATOM 1577 CB GLU B 147 3.967 0.520 4.331 1.00 0.00 C ATOM 1578 CG GLU B 147 4.990 -0.611 4.562 1.00 0.00 C ATOM 1579 CD GLU B 147 5.878 -0.449 5.818 1.00 0.00 C ATOM 1580 OE1 GLU B 147 5.867 0.622 6.470 1.00 0.00 O ATOM 1581 OE2 GLU B 147 6.591 -1.421 6.166 1.00 0.00 O1- ATOM 0 H GLU B 147 2.525 2.434 3.827 1.00 0.00 H new ATOM 0 HA GLU B 147 5.227 2.228 4.729 1.00 0.00 H new ATOM 0 HB2 GLU B 147 3.378 0.641 5.240 1.00 0.00 H new ATOM 0 HB3 GLU B 147 3.280 0.206 3.545 1.00 0.00 H new ATOM 0 HG2 GLU B 147 4.452 -1.556 4.636 1.00 0.00 H new ATOM 0 HG3 GLU B 147 5.636 -0.680 3.686 1.00 0.00 H new ATOM 1588 N ILE B 148 4.813 1.985 1.487 1.00 0.00 N ATOM 1589 CA ILE B 148 5.550 2.086 0.213 1.00 0.00 C ATOM 1590 C ILE B 148 6.526 3.276 0.266 1.00 0.00 C ATOM 1591 O ILE B 148 7.720 3.129 -0.005 1.00 0.00 O ATOM 1592 CB ILE B 148 4.584 2.229 -0.987 1.00 0.00 C ATOM 1593 CG1 ILE B 148 3.680 0.988 -1.156 1.00 0.00 C ATOM 1594 CG2 ILE B 148 5.354 2.512 -2.296 1.00 0.00 C ATOM 1595 CD1 ILE B 148 2.477 1.231 -2.076 1.00 0.00 C ATOM 0 H ILE B 148 3.801 2.058 1.381 1.00 0.00 H new ATOM 0 HA ILE B 148 6.116 1.165 0.072 1.00 0.00 H new ATOM 0 HB ILE B 148 3.941 3.082 -0.770 1.00 0.00 H new ATOM 0 HG12 ILE B 148 4.274 0.167 -1.557 1.00 0.00 H new ATOM 0 HG13 ILE B 148 3.321 0.673 -0.176 1.00 0.00 H new ATOM 0 HG21 ILE B 148 4.647 2.607 -3.120 1.00 0.00 H new ATOM 0 HG22 ILE B 148 5.918 3.439 -2.193 1.00 0.00 H new ATOM 0 HG23 ILE B 148 6.040 1.690 -2.499 1.00 0.00 H new ATOM 0 HD11 ILE B 148 1.885 0.319 -2.150 1.00 0.00 H new ATOM 0 HD12 ILE B 148 1.861 2.031 -1.666 1.00 0.00 H new ATOM 0 HD13 ILE B 148 2.829 1.516 -3.067 1.00 0.00 H new ATOM 1607 N LYS B 149 6.020 4.453 0.657 1.00 0.00 N ATOM 1608 CA LYS B 149 6.805 5.695 0.746 1.00 0.00 C ATOM 1609 C LYS B 149 7.899 5.617 1.815 1.00 0.00 C ATOM 1610 O LYS B 149 9.016 6.072 1.569 1.00 0.00 O ATOM 1611 CB LYS B 149 5.852 6.875 0.991 1.00 0.00 C ATOM 1612 CG LYS B 149 4.991 7.158 -0.252 1.00 0.00 C ATOM 1613 CD LYS B 149 4.019 8.311 0.000 1.00 0.00 C ATOM 1614 CE LYS B 149 3.141 8.622 -1.223 1.00 0.00 C ATOM 1615 NZ LYS B 149 3.916 9.198 -2.352 1.00 0.00 N1+ ATOM 0 H LYS B 149 5.043 4.573 0.924 1.00 0.00 H new ATOM 0 HA LYS B 149 7.326 5.845 -0.199 1.00 0.00 H new ATOM 0 HB2 LYS B 149 5.207 6.655 1.842 1.00 0.00 H new ATOM 0 HB3 LYS B 149 6.428 7.764 1.249 1.00 0.00 H new ATOM 0 HG2 LYS B 149 5.636 7.400 -1.097 1.00 0.00 H new ATOM 0 HG3 LYS B 149 4.434 6.262 -0.523 1.00 0.00 H new ATOM 0 HD2 LYS B 149 3.380 8.064 0.848 1.00 0.00 H new ATOM 0 HD3 LYS B 149 4.582 9.203 0.274 1.00 0.00 H new ATOM 0 HE2 LYS B 149 2.649 7.707 -1.554 1.00 0.00 H new ATOM 0 HE3 LYS B 149 2.355 9.320 -0.933 1.00 0.00 H new ATOM 0 HZ1 LYS B 149 3.270 9.694 -2.999 1.00 0.00 H new ATOM 0 HZ2 LYS B 149 4.620 9.869 -1.983 1.00 0.00 H new ATOM 0 HZ3 LYS B 149 4.401 8.435 -2.865 1.00 0.00 H new ATOM 1629 N ARG B 150 7.617 4.978 2.960 1.00 0.00 N ATOM 1630 CA ARG B 150 8.584 4.740 4.052 1.00 0.00 C ATOM 1631 C ARG B 150 9.810 3.946 3.577 1.00 0.00 C ATOM 1632 O ARG B 150 10.942 4.364 3.821 1.00 0.00 O ATOM 1633 CB ARG B 150 7.851 4.042 5.215 1.00 0.00 C ATOM 1634 CG ARG B 150 8.751 3.837 6.445 1.00 0.00 C ATOM 1635 CD ARG B 150 7.989 3.192 7.614 1.00 0.00 C ATOM 1636 NE ARG B 150 6.984 4.103 8.194 1.00 0.00 N ATOM 1637 CZ ARG B 150 5.680 3.916 8.309 1.00 0.00 C ATOM 1638 NH1 ARG B 150 5.053 2.867 7.860 1.00 0.00 N1+ ATOM 1639 NH2 ARG B 150 4.953 4.825 8.898 1.00 0.00 N ATOM 0 H ARG B 150 6.690 4.602 3.161 1.00 0.00 H new ATOM 0 HA ARG B 150 8.976 5.696 4.399 1.00 0.00 H new ATOM 0 HB2 ARG B 150 6.982 4.636 5.500 1.00 0.00 H new ATOM 0 HB3 ARG B 150 7.479 3.075 4.877 1.00 0.00 H new ATOM 0 HG2 ARG B 150 9.599 3.208 6.173 1.00 0.00 H new ATOM 0 HG3 ARG B 150 9.156 4.798 6.762 1.00 0.00 H new ATOM 0 HD2 ARG B 150 7.496 2.284 7.267 1.00 0.00 H new ATOM 0 HD3 ARG B 150 8.697 2.895 8.388 1.00 0.00 H new ATOM 0 HE ARG B 150 7.340 4.989 8.552 1.00 0.00 H new ATOM 0 HH11 ARG B 150 5.571 2.127 7.386 1.00 0.00 H new ATOM 0 HH12 ARG B 150 4.044 2.785 7.982 1.00 0.00 H new ATOM 0 HH21 ARG B 150 5.391 5.670 9.264 1.00 0.00 H new ATOM 0 HH22 ARG B 150 3.946 4.691 8.992 1.00 0.00 H new ATOM 1653 N LEU B 151 9.591 2.845 2.845 1.00 0.00 N ATOM 1654 CA LEU B 151 10.670 2.019 2.287 1.00 0.00 C ATOM 1655 C LEU B 151 11.451 2.750 1.190 1.00 0.00 C ATOM 1656 O LEU B 151 12.681 2.705 1.196 1.00 0.00 O ATOM 1657 CB LEU B 151 10.104 0.687 1.758 1.00 0.00 C ATOM 1658 CG LEU B 151 10.093 -0.492 2.750 1.00 0.00 C ATOM 1659 CD1 LEU B 151 11.510 -0.991 3.038 1.00 0.00 C ATOM 1660 CD2 LEU B 151 9.404 -0.178 4.079 1.00 0.00 C ATOM 0 H LEU B 151 8.657 2.501 2.623 1.00 0.00 H new ATOM 0 HA LEU B 151 11.373 1.811 3.094 1.00 0.00 H new ATOM 0 HB2 LEU B 151 9.082 0.860 1.420 1.00 0.00 H new ATOM 0 HB3 LEU B 151 10.683 0.393 0.883 1.00 0.00 H new ATOM 0 HG LEU B 151 9.511 -1.268 2.252 1.00 0.00 H new ATOM 0 HD11 LEU B 151 11.467 -1.823 3.741 1.00 0.00 H new ATOM 0 HD12 LEU B 151 11.974 -1.324 2.110 1.00 0.00 H new ATOM 0 HD13 LEU B 151 12.100 -0.182 3.469 1.00 0.00 H new ATOM 0 HD21 LEU B 151 9.437 -1.057 4.723 1.00 0.00 H new ATOM 0 HD22 LEU B 151 9.917 0.650 4.568 1.00 0.00 H new ATOM 0 HD23 LEU B 151 8.366 0.097 3.894 1.00 0.00 H new ATOM 1672 N LYS B 152 10.766 3.460 0.280 1.00 0.00 N ATOM 1673 CA LYS B 152 11.419 4.214 -0.813 1.00 0.00 C ATOM 1674 C LYS B 152 12.277 5.379 -0.323 1.00 0.00 C ATOM 1675 O LYS B 152 13.375 5.574 -0.844 1.00 0.00 O ATOM 1676 CB LYS B 152 10.372 4.700 -1.830 1.00 0.00 C ATOM 1677 CG LYS B 152 9.874 3.525 -2.679 1.00 0.00 C ATOM 1678 CD LYS B 152 8.867 3.982 -3.735 1.00 0.00 C ATOM 1679 CE LYS B 152 8.350 2.776 -4.520 1.00 0.00 C ATOM 1680 NZ LYS B 152 7.450 3.188 -5.617 1.00 0.00 N1+ ATOM 0 H LYS B 152 9.748 3.531 0.277 1.00 0.00 H new ATOM 0 HA LYS B 152 12.103 3.519 -1.300 1.00 0.00 H new ATOM 0 HB2 LYS B 152 9.534 5.162 -1.308 1.00 0.00 H new ATOM 0 HB3 LYS B 152 10.807 5.465 -2.474 1.00 0.00 H new ATOM 0 HG2 LYS B 152 10.721 3.043 -3.167 1.00 0.00 H new ATOM 0 HG3 LYS B 152 9.412 2.779 -2.033 1.00 0.00 H new ATOM 0 HD2 LYS B 152 8.035 4.499 -3.257 1.00 0.00 H new ATOM 0 HD3 LYS B 152 9.337 4.694 -4.414 1.00 0.00 H new ATOM 0 HE2 LYS B 152 9.193 2.219 -4.929 1.00 0.00 H new ATOM 0 HE3 LYS B 152 7.820 2.103 -3.847 1.00 0.00 H new ATOM 0 HZ1 LYS B 152 6.948 2.355 -5.986 1.00 0.00 H new ATOM 0 HZ2 LYS B 152 6.759 3.878 -5.259 1.00 0.00 H new ATOM 0 HZ3 LYS B 152 8.008 3.621 -6.380 1.00 0.00 H new ATOM 1694 N ALA B 153 11.833 6.101 0.707 1.00 0.00 N ATOM 1695 CA ALA B 153 12.617 7.168 1.338 1.00 0.00 C ATOM 1696 C ALA B 153 13.935 6.639 1.936 1.00 0.00 C ATOM 1697 O ALA B 153 14.996 7.219 1.697 1.00 0.00 O ATOM 1698 CB ALA B 153 11.740 7.845 2.397 1.00 0.00 C ATOM 0 H ALA B 153 10.915 5.963 1.130 1.00 0.00 H new ATOM 0 HA ALA B 153 12.909 7.899 0.584 1.00 0.00 H new ATOM 0 HB1 ALA B 153 12.304 8.643 2.880 1.00 0.00 H new ATOM 0 HB2 ALA B 153 10.853 8.264 1.921 1.00 0.00 H new ATOM 0 HB3 ALA B 153 11.439 7.110 3.144 1.00 0.00 H new ATOM 1704 N ALA B 154 13.890 5.501 2.643 1.00 0.00 N ATOM 1705 CA ALA B 154 15.078 4.847 3.192 1.00 0.00 C ATOM 1706 C ALA B 154 16.009 4.310 2.086 1.00 0.00 C ATOM 1707 O ALA B 154 17.226 4.499 2.163 1.00 0.00 O ATOM 1708 CB ALA B 154 14.624 3.734 4.141 1.00 0.00 C ATOM 0 H ALA B 154 13.021 5.008 2.849 1.00 0.00 H new ATOM 0 HA ALA B 154 15.667 5.580 3.744 1.00 0.00 H new ATOM 0 HB1 ALA B 154 15.497 3.235 4.560 1.00 0.00 H new ATOM 0 HB2 ALA B 154 14.029 4.163 4.947 1.00 0.00 H new ATOM 0 HB3 ALA B 154 14.021 3.011 3.592 1.00 0.00 H new ATOM 1714 N ASN B 155 15.458 3.689 1.035 1.00 0.00 N ATOM 1715 CA ASN B 155 16.224 3.163 -0.100 1.00 0.00 C ATOM 1716 C ASN B 155 16.939 4.291 -0.878 1.00 0.00 C ATOM 1717 O ASN B 155 18.125 4.197 -1.190 1.00 0.00 O ATOM 1718 CB ASN B 155 15.269 2.328 -0.979 1.00 0.00 C ATOM 1719 CG ASN B 155 15.975 1.319 -1.876 1.00 0.00 C ATOM 1720 OD1 ASN B 155 17.020 1.566 -2.454 1.00 0.00 O ATOM 1721 ND2 ASN B 155 15.425 0.132 -2.006 1.00 0.00 N ATOM 0 H ASN B 155 14.453 3.536 0.949 1.00 0.00 H new ATOM 0 HA ASN B 155 17.026 2.516 0.254 1.00 0.00 H new ATOM 0 HB2 ASN B 155 14.569 1.798 -0.334 1.00 0.00 H new ATOM 0 HB3 ASN B 155 14.681 3.003 -1.601 1.00 0.00 H new ATOM 0 HD21 ASN B 155 15.872 -0.576 -2.588 1.00 0.00 H new ATOM 0 HD22 ASN B 155 14.551 -0.081 -1.525 1.00 0.00 H new ATOM 1728 N GLN B 156 16.256 5.416 -1.128 1.00 0.00 N ATOM 1729 CA GLN B 156 16.843 6.601 -1.763 1.00 0.00 C ATOM 1730 C GLN B 156 17.961 7.229 -0.916 1.00 0.00 C ATOM 1731 O GLN B 156 19.025 7.568 -1.439 1.00 0.00 O ATOM 1732 CB GLN B 156 15.715 7.603 -2.069 1.00 0.00 C ATOM 1733 CG GLN B 156 16.218 8.861 -2.802 1.00 0.00 C ATOM 1734 CD GLN B 156 15.095 9.798 -3.260 1.00 0.00 C ATOM 1735 OE1 GLN B 156 13.927 9.666 -2.919 1.00 0.00 O ATOM 1736 NE2 GLN B 156 15.413 10.809 -4.044 1.00 0.00 N ATOM 0 H GLN B 156 15.270 5.529 -0.892 1.00 0.00 H new ATOM 0 HA GLN B 156 17.324 6.302 -2.695 1.00 0.00 H new ATOM 0 HB2 GLN B 156 14.955 7.113 -2.677 1.00 0.00 H new ATOM 0 HB3 GLN B 156 15.235 7.899 -1.136 1.00 0.00 H new ATOM 0 HG2 GLN B 156 16.891 9.410 -2.143 1.00 0.00 H new ATOM 0 HG3 GLN B 156 16.801 8.556 -3.671 1.00 0.00 H new ATOM 0 HE21 GLN B 156 16.380 10.939 -4.341 1.00 0.00 H new ATOM 0 HE22 GLN B 156 14.692 11.461 -4.353 1.00 0.00 H new