USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=14 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 Set 1.1: B 133 SER OG : rot -53:sc= 1.07 USER MOD Set 1.2: B 135 GLN : amide:sc= 0.646 K(o=1.7,f=0.92) USER MOD Set 2.1: A 44 SER OG : rot -143:sc= 0.647 USER MOD Set 2.2: B 144 SER OG : rot -80:sc= 1.03 USER MOD Single : A 15 SER OG : rot 32:sc= 0.402 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 MET CE :methyl 167:sc=-0.00737 (180deg=-0.161) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.943 K(o=0.94,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 71:sc= 0.771 USER MOD Single : A 49 LYS NZ :NH3+ -139:sc= 1.2 (180deg=0.997) USER MOD Single : A 52 LYS NZ :NH3+ -156:sc= 1.28 (180deg=0.813) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : B 115 SER OG : rot 110:sc= 0.767 USER MOD Single : B 120 GLN : amide:sc= 0.368 X(o=0.37,f=0) USER MOD Single : B 122 MET CE :methyl -176:sc= -0.476 (180deg=-0.495) USER MOD Single : B 134 MET CE :methyl -178:sc= -0.048 (180deg=-0.0669) USER MOD Single : B 138 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 139 GLN : amide:sc= 0.848 K(o=0.85,f=0) USER MOD Single : B 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 146 THR OG1 : rot 72:sc= 0.858 USER MOD Single : B 149 LYS NZ :NH3+ -159:sc= 1.25 (180deg=0.969) USER MOD Single : B 152 LYS NZ :NH3+ 177:sc= 2.1 (180deg=2.06) USER MOD Single : B 155 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : B 156 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 10 -8.343 12.841 0.466 1.00 0.00 N ATOM 115 CA PRO A 10 -9.523 12.028 0.149 1.00 0.00 C ATOM 116 C PRO A 10 -9.205 10.763 -0.666 1.00 0.00 C ATOM 117 O PRO A 10 -8.114 10.608 -1.219 1.00 0.00 O ATOM 118 CB PRO A 10 -10.487 12.973 -0.591 1.00 0.00 C ATOM 119 CG PRO A 10 -9.549 13.989 -1.234 1.00 0.00 C ATOM 120 CD PRO A 10 -8.462 14.145 -0.178 1.00 0.00 C ATOM 0 HA PRO A 10 -9.965 11.631 1.063 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.079 12.442 -1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.189 13.449 0.093 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.147 13.628 -2.181 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.053 14.933 -1.441 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.517 14.445 -0.631 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.728 14.916 0.546 1.00 0.00 H new ATOM 128 N ILE A 11 -10.188 9.862 -0.763 1.00 0.00 N ATOM 129 CA ILE A 11 -10.047 8.548 -1.414 1.00 0.00 C ATOM 130 C ILE A 11 -9.647 8.628 -2.894 1.00 0.00 C ATOM 131 O ILE A 11 -8.841 7.826 -3.358 1.00 0.00 O ATOM 132 CB ILE A 11 -11.326 7.711 -1.193 1.00 0.00 C ATOM 133 CG1 ILE A 11 -11.049 6.246 -1.588 1.00 0.00 C ATOM 134 CG2 ILE A 11 -12.558 8.279 -1.927 1.00 0.00 C ATOM 135 CD1 ILE A 11 -12.142 5.298 -1.089 1.00 0.00 C ATOM 0 H ILE A 11 -11.122 10.025 -0.386 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.210 8.040 -0.935 1.00 0.00 H new ATOM 0 HB ILE A 11 -11.579 7.759 -0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.973 6.172 -2.673 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.087 5.937 -1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.423 7.645 -1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -12.760 9.289 -1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.363 8.305 -2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.904 4.278 -1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.201 5.351 -0.002 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -13.100 5.589 -1.519 1.00 0.00 H new ATOM 147 N ASP A 12 -10.143 9.631 -3.621 1.00 0.00 N ATOM 148 CA ASP A 12 -9.780 9.882 -5.024 1.00 0.00 C ATOM 149 C ASP A 12 -8.301 10.296 -5.195 1.00 0.00 C ATOM 150 O ASP A 12 -7.701 10.030 -6.236 1.00 0.00 O ATOM 151 CB ASP A 12 -10.695 10.980 -5.608 1.00 0.00 C ATOM 152 CG ASP A 12 -12.189 10.609 -5.673 1.00 0.00 C ATOM 153 OD1 ASP A 12 -13.029 11.542 -5.698 1.00 0.00 O ATOM 154 OD2 ASP A 12 -12.546 9.407 -5.727 1.00 0.00 O1- ATOM 0 H ASP A 12 -10.816 10.302 -3.251 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.916 8.945 -5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.585 11.883 -5.007 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.351 11.223 -6.613 1.00 0.00 H new ATOM 159 N GLU A 13 -7.699 10.916 -4.173 1.00 0.00 N ATOM 160 CA GLU A 13 -6.278 11.263 -4.165 1.00 0.00 C ATOM 161 C GLU A 13 -5.395 10.067 -3.774 1.00 0.00 C ATOM 162 O GLU A 13 -4.506 9.716 -4.543 1.00 0.00 O ATOM 163 CB GLU A 13 -6.004 12.500 -3.292 1.00 0.00 C ATOM 164 CG GLU A 13 -6.577 13.762 -3.951 1.00 0.00 C ATOM 165 CD GLU A 13 -6.240 15.067 -3.198 1.00 0.00 C ATOM 166 OE1 GLU A 13 -7.121 15.956 -3.130 1.00 0.00 O ATOM 167 OE2 GLU A 13 -5.096 15.238 -2.714 1.00 0.00 O1- ATOM 0 H GLU A 13 -8.191 11.192 -3.323 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.004 11.527 -5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.450 12.363 -2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.931 12.616 -3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.196 13.833 -4.970 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.660 13.664 -4.021 1.00 0.00 H new ATOM 174 N LEU A 14 -5.643 9.381 -2.644 1.00 0.00 N ATOM 175 CA LEU A 14 -4.804 8.242 -2.216 1.00 0.00 C ATOM 176 C LEU A 14 -4.837 7.055 -3.205 1.00 0.00 C ATOM 177 O LEU A 14 -3.816 6.398 -3.405 1.00 0.00 O ATOM 178 CB LEU A 14 -5.125 7.835 -0.763 1.00 0.00 C ATOM 179 CG LEU A 14 -6.520 7.234 -0.526 1.00 0.00 C ATOM 180 CD1 LEU A 14 -6.470 5.712 -0.483 1.00 0.00 C ATOM 181 CD2 LEU A 14 -7.099 7.706 0.807 1.00 0.00 C ATOM 0 H LEU A 14 -6.414 9.593 -2.011 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.768 8.581 -2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.379 7.111 -0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.017 8.714 -0.128 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.144 7.567 -1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.473 5.320 -0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.087 5.334 -1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.814 5.392 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.086 7.267 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.442 7.396 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.183 8.793 0.803 1.00 0.00 H new ATOM 193 N SER A 15 -5.978 6.815 -3.862 1.00 0.00 N ATOM 194 CA SER A 15 -6.150 5.790 -4.908 1.00 0.00 C ATOM 195 C SER A 15 -5.380 6.105 -6.208 1.00 0.00 C ATOM 196 O SER A 15 -4.975 5.191 -6.934 1.00 0.00 O ATOM 197 CB SER A 15 -7.650 5.633 -5.190 1.00 0.00 C ATOM 198 OG SER A 15 -7.891 4.619 -6.150 1.00 0.00 O ATOM 0 H SER A 15 -6.833 7.341 -3.678 1.00 0.00 H new ATOM 0 HA SER A 15 -5.726 4.857 -4.537 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.173 5.392 -4.264 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.056 6.579 -5.548 1.00 0.00 H new ATOM 0 HG SER A 15 -7.208 3.921 -6.067 1.00 0.00 H new ATOM 204 N ALA A 16 -5.140 7.385 -6.500 1.00 0.00 N ATOM 205 CA ALA A 16 -4.259 7.834 -7.580 1.00 0.00 C ATOM 206 C ALA A 16 -2.778 7.866 -7.148 1.00 0.00 C ATOM 207 O ALA A 16 -1.899 7.498 -7.928 1.00 0.00 O ATOM 208 CB ALA A 16 -4.730 9.217 -8.056 1.00 0.00 C ATOM 0 H ALA A 16 -5.562 8.155 -5.981 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.319 7.121 -8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.083 9.565 -8.861 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.755 9.147 -8.419 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.687 9.922 -7.226 1.00 0.00 H new ATOM 214 N LEU A 17 -2.492 8.246 -5.896 1.00 0.00 N ATOM 215 CA LEU A 17 -1.131 8.330 -5.346 1.00 0.00 C ATOM 216 C LEU A 17 -0.443 6.964 -5.297 1.00 0.00 C ATOM 217 O LEU A 17 0.724 6.881 -5.666 1.00 0.00 O ATOM 218 CB LEU A 17 -1.154 8.991 -3.953 1.00 0.00 C ATOM 219 CG LEU A 17 -0.704 10.464 -3.965 1.00 0.00 C ATOM 220 CD1 LEU A 17 -1.589 11.378 -4.814 1.00 0.00 C ATOM 221 CD2 LEU A 17 -0.701 11.013 -2.537 1.00 0.00 C ATOM 0 H LEU A 17 -3.213 8.509 -5.224 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.543 8.954 -6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.164 8.931 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.507 8.427 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 17 0.292 10.464 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.206 12.398 -4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.584 11.032 -5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.609 11.357 -4.430 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.382 12.055 -2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.705 10.945 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.013 10.430 -1.925 1.00 0.00 H new ATOM 233 N LEU A 18 -1.134 5.877 -4.920 1.00 0.00 N ATOM 234 CA LEU A 18 -0.517 4.538 -4.929 1.00 0.00 C ATOM 235 C LEU A 18 -0.132 4.073 -6.343 1.00 0.00 C ATOM 236 O LEU A 18 0.913 3.450 -6.523 1.00 0.00 O ATOM 237 CB LEU A 18 -1.405 3.536 -4.168 1.00 0.00 C ATOM 238 CG LEU A 18 -2.700 3.083 -4.879 1.00 0.00 C ATOM 239 CD1 LEU A 18 -2.508 1.804 -5.703 1.00 0.00 C ATOM 240 CD2 LEU A 18 -3.773 2.779 -3.843 1.00 0.00 C ATOM 0 H LEU A 18 -2.105 5.895 -4.609 1.00 0.00 H new ATOM 0 HA LEU A 18 0.431 4.595 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.809 2.650 -3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.679 3.981 -3.211 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.985 3.899 -5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.450 1.533 -6.180 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.750 1.974 -6.468 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.187 0.994 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.685 2.460 -4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.426 1.984 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.977 3.675 -3.257 1.00 0.00 H new ATOM 252 N ARG A 19 -0.917 4.449 -7.360 1.00 0.00 N ATOM 253 CA ARG A 19 -0.596 4.218 -8.778 1.00 0.00 C ATOM 254 C ARG A 19 0.571 5.094 -9.240 1.00 0.00 C ATOM 255 O ARG A 19 1.483 4.593 -9.897 1.00 0.00 O ATOM 256 CB ARG A 19 -1.860 4.437 -9.633 1.00 0.00 C ATOM 257 CG ARG A 19 -2.724 3.172 -9.615 1.00 0.00 C ATOM 258 CD ARG A 19 -4.037 3.348 -10.383 1.00 0.00 C ATOM 259 NE ARG A 19 -5.126 3.841 -9.516 1.00 0.00 N ATOM 260 CZ ARG A 19 -6.413 3.703 -9.762 1.00 0.00 C ATOM 261 NH1 ARG A 19 -6.883 3.242 -10.887 1.00 0.00 N1+ ATOM 262 NH2 ARG A 19 -7.296 4.012 -8.866 1.00 0.00 N ATOM 0 H ARG A 19 -1.806 4.929 -7.221 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.270 3.186 -8.905 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.429 5.283 -9.247 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.579 4.682 -10.657 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.161 2.345 -10.049 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.944 2.901 -8.582 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.884 4.047 -11.205 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.329 2.395 -10.824 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.861 4.327 -8.659 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.243 2.966 -11.632 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.890 3.157 -11.022 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.998 4.367 -7.957 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.289 3.900 -9.069 1.00 0.00 H new ATOM 276 N GLN A 20 0.623 6.358 -8.826 1.00 0.00 N ATOM 277 CA GLN A 20 1.722 7.281 -9.086 1.00 0.00 C ATOM 278 C GLN A 20 3.045 6.836 -8.424 1.00 0.00 C ATOM 279 O GLN A 20 4.105 6.964 -9.035 1.00 0.00 O ATOM 280 CB GLN A 20 1.242 8.669 -8.637 1.00 0.00 C ATOM 281 CG GLN A 20 2.275 9.772 -8.864 1.00 0.00 C ATOM 282 CD GLN A 20 1.716 11.164 -8.567 1.00 0.00 C ATOM 283 OE1 GLN A 20 2.184 11.872 -7.681 1.00 0.00 O ATOM 284 NE2 GLN A 20 0.692 11.620 -9.263 1.00 0.00 N ATOM 0 H GLN A 20 -0.127 6.782 -8.280 1.00 0.00 H new ATOM 0 HA GLN A 20 1.969 7.301 -10.147 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.328 8.921 -9.175 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.988 8.632 -7.578 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.143 9.589 -8.230 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.621 9.735 -9.897 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.285 11.050 -10.005 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.307 12.542 -9.059 1.00 0.00 H new ATOM 293 N GLU A 21 3.000 6.223 -7.233 1.00 0.00 N ATOM 294 CA GLU A 21 4.174 5.597 -6.599 1.00 0.00 C ATOM 295 C GLU A 21 4.665 4.339 -7.344 1.00 0.00 C ATOM 296 O GLU A 21 5.863 4.055 -7.313 1.00 0.00 O ATOM 297 CB GLU A 21 3.886 5.261 -5.119 1.00 0.00 C ATOM 298 CG GLU A 21 3.745 6.470 -4.175 1.00 0.00 C ATOM 299 CD GLU A 21 5.015 7.336 -4.016 1.00 0.00 C ATOM 300 OE1 GLU A 21 4.914 8.429 -3.404 1.00 0.00 O ATOM 301 OE2 GLU A 21 6.115 6.936 -4.474 1.00 0.00 O1- ATOM 0 H GLU A 21 2.147 6.146 -6.679 1.00 0.00 H new ATOM 0 HA GLU A 21 4.977 6.332 -6.653 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.967 4.676 -5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.689 4.625 -4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.937 7.103 -4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.446 6.109 -3.191 1.00 0.00 H new ATOM 308 N MET A 22 3.789 3.624 -8.062 1.00 0.00 N ATOM 309 CA MET A 22 4.151 2.549 -9.011 1.00 0.00 C ATOM 310 C MET A 22 4.607 3.084 -10.391 1.00 0.00 C ATOM 311 O MET A 22 5.056 2.306 -11.237 1.00 0.00 O ATOM 312 CB MET A 22 2.964 1.585 -9.198 1.00 0.00 C ATOM 313 CG MET A 22 2.543 0.864 -7.912 1.00 0.00 C ATOM 314 SD MET A 22 0.937 0.037 -8.069 1.00 0.00 S ATOM 315 CE MET A 22 0.516 -0.080 -6.316 1.00 0.00 C ATOM 0 H MET A 22 2.782 3.777 -8.002 1.00 0.00 H new ATOM 0 HA MET A 22 5.000 2.023 -8.574 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.112 2.144 -9.586 1.00 0.00 H new ATOM 0 HB3 MET A 22 3.227 0.842 -9.951 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.302 0.128 -7.648 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.498 1.584 -7.095 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.535 -0.350 -6.211 1.00 0.00 H new ATOM 0 HE2 MET A 22 1.135 -0.842 -5.843 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.693 0.882 -5.834 1.00 0.00 H new ATOM 325 N GLY A 23 4.497 4.397 -10.634 1.00 0.00 N ATOM 326 CA GLY A 23 4.873 5.074 -11.885 1.00 0.00 C ATOM 327 C GLY A 23 3.734 5.288 -12.894 1.00 0.00 C ATOM 328 O GLY A 23 3.967 5.830 -13.980 1.00 0.00 O ATOM 0 H GLY A 23 4.129 5.044 -9.937 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.301 6.045 -11.637 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.658 4.494 -12.369 1.00 0.00 H new ATOM 420 N MET A 34 -16.675 -4.483 -3.925 1.00 0.00 N ATOM 421 CA MET A 34 -15.857 -5.498 -3.233 1.00 0.00 C ATOM 422 C MET A 34 -14.827 -6.167 -4.160 1.00 0.00 C ATOM 423 O MET A 34 -13.723 -6.501 -3.724 1.00 0.00 O ATOM 424 CB MET A 34 -16.769 -6.547 -2.572 1.00 0.00 C ATOM 425 CG MET A 34 -17.039 -6.158 -1.114 1.00 0.00 C ATOM 426 SD MET A 34 -15.594 -6.377 -0.028 1.00 0.00 S ATOM 427 CE MET A 34 -16.042 -5.274 1.334 1.00 0.00 C ATOM 0 HA MET A 34 -15.284 -4.983 -2.462 1.00 0.00 H new ATOM 0 HB2 MET A 34 -17.709 -6.620 -3.118 1.00 0.00 H new ATOM 0 HB3 MET A 34 -16.299 -7.529 -2.614 1.00 0.00 H new ATOM 0 HG2 MET A 34 -17.358 -5.116 -1.077 1.00 0.00 H new ATOM 0 HG3 MET A 34 -17.865 -6.758 -0.733 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.257 -5.292 2.090 1.00 0.00 H new ATOM 0 HE2 MET A 34 -16.159 -4.258 0.956 1.00 0.00 H new ATOM 0 HE3 MET A 34 -16.981 -5.606 1.778 1.00 0.00 H new ATOM 437 N GLN A 35 -15.141 -6.304 -5.452 1.00 0.00 N ATOM 438 CA GLN A 35 -14.194 -6.801 -6.455 1.00 0.00 C ATOM 439 C GLN A 35 -13.089 -5.783 -6.798 1.00 0.00 C ATOM 440 O GLN A 35 -11.984 -6.180 -7.177 1.00 0.00 O ATOM 441 CB GLN A 35 -14.947 -7.199 -7.735 1.00 0.00 C ATOM 442 CG GLN A 35 -15.984 -8.308 -7.484 1.00 0.00 C ATOM 443 CD GLN A 35 -16.657 -8.819 -8.759 1.00 0.00 C ATOM 444 OE1 GLN A 35 -16.454 -8.337 -9.866 1.00 0.00 O ATOM 445 NE2 GLN A 35 -17.496 -9.833 -8.654 1.00 0.00 N ATOM 0 H GLN A 35 -16.059 -6.073 -5.832 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.702 -7.671 -6.019 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.448 -6.323 -8.146 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.231 -7.537 -8.484 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.496 -9.143 -6.982 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.749 -7.931 -6.806 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.680 -10.250 -7.742 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.960 -10.199 -9.485 1.00 0.00 H new ATOM 454 N ASP A 36 -13.353 -4.482 -6.652 1.00 0.00 N ATOM 455 CA ASP A 36 -12.380 -3.414 -6.921 1.00 0.00 C ATOM 456 C ASP A 36 -11.389 -3.247 -5.760 1.00 0.00 C ATOM 457 O ASP A 36 -10.178 -3.241 -5.981 1.00 0.00 O ATOM 458 CB ASP A 36 -13.086 -2.077 -7.220 1.00 0.00 C ATOM 459 CG ASP A 36 -14.001 -2.070 -8.454 1.00 0.00 C ATOM 460 OD1 ASP A 36 -13.947 -2.997 -9.298 1.00 0.00 O ATOM 461 OD2 ASP A 36 -14.774 -1.091 -8.594 1.00 0.00 O1- ATOM 0 H ASP A 36 -14.259 -4.134 -6.340 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.816 -3.710 -7.806 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.679 -1.797 -6.349 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.326 -1.306 -7.349 1.00 0.00 H new ATOM 466 N ILE A 37 -11.880 -3.151 -4.518 1.00 0.00 N ATOM 467 CA ILE A 37 -11.049 -2.991 -3.314 1.00 0.00 C ATOM 468 C ILE A 37 -10.088 -4.174 -3.103 1.00 0.00 C ATOM 469 O ILE A 37 -8.935 -3.948 -2.745 1.00 0.00 O ATOM 470 CB ILE A 37 -11.927 -2.718 -2.064 1.00 0.00 C ATOM 471 CG1 ILE A 37 -11.063 -2.418 -0.815 1.00 0.00 C ATOM 472 CG2 ILE A 37 -12.887 -3.881 -1.781 1.00 0.00 C ATOM 473 CD1 ILE A 37 -11.882 -2.101 0.444 1.00 0.00 C ATOM 0 H ILE A 37 -12.879 -3.183 -4.316 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.418 -2.116 -3.469 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.523 -1.833 -2.286 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.422 -3.276 -0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.407 -1.575 -1.032 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.485 -3.653 -0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -13.545 -4.026 -2.638 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.314 -4.791 -1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.207 -1.902 1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.503 -1.224 0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.518 -2.952 0.688 1.00 0.00 H new ATOM 485 N GLN A 38 -10.509 -5.418 -3.384 1.00 0.00 N ATOM 486 CA GLN A 38 -9.636 -6.597 -3.279 1.00 0.00 C ATOM 487 C GLN A 38 -8.413 -6.488 -4.205 1.00 0.00 C ATOM 488 O GLN A 38 -7.292 -6.761 -3.773 1.00 0.00 O ATOM 489 CB GLN A 38 -10.428 -7.882 -3.571 1.00 0.00 C ATOM 490 CG GLN A 38 -11.239 -8.367 -2.361 1.00 0.00 C ATOM 491 CD GLN A 38 -12.003 -9.654 -2.662 1.00 0.00 C ATOM 492 OE1 GLN A 38 -13.213 -9.660 -2.859 1.00 0.00 O ATOM 493 NE2 GLN A 38 -11.343 -10.791 -2.734 1.00 0.00 N ATOM 0 H GLN A 38 -11.458 -5.633 -3.689 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.264 -6.641 -2.255 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -11.103 -7.705 -4.408 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.738 -8.667 -3.879 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.568 -8.533 -1.518 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.942 -7.590 -2.061 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.336 -10.807 -2.573 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.839 -11.656 -2.950 1.00 0.00 H new ATOM 502 N GLN A 39 -8.597 -6.045 -5.453 1.00 0.00 N ATOM 503 CA GLN A 39 -7.493 -5.815 -6.394 1.00 0.00 C ATOM 504 C GLN A 39 -6.649 -4.593 -6.007 1.00 0.00 C ATOM 505 O GLN A 39 -5.422 -4.672 -5.997 1.00 0.00 O ATOM 506 CB GLN A 39 -8.052 -5.655 -7.825 1.00 0.00 C ATOM 507 CG GLN A 39 -8.694 -6.940 -8.373 1.00 0.00 C ATOM 508 CD GLN A 39 -9.373 -6.699 -9.715 1.00 0.00 C ATOM 509 OE1 GLN A 39 -8.768 -6.770 -10.777 1.00 0.00 O ATOM 510 NE2 GLN A 39 -10.652 -6.392 -9.721 1.00 0.00 N ATOM 0 H GLN A 39 -9.517 -5.835 -5.841 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.835 -6.683 -6.355 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.793 -4.856 -7.831 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.246 -5.347 -8.491 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.931 -7.710 -8.484 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.425 -7.316 -7.657 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.166 -6.330 -8.842 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.130 -6.216 -10.605 1.00 0.00 H new ATOM 519 N LEU A 40 -7.286 -3.473 -5.662 1.00 0.00 N ATOM 520 CA LEU A 40 -6.638 -2.187 -5.380 1.00 0.00 C ATOM 521 C LEU A 40 -5.782 -2.210 -4.103 1.00 0.00 C ATOM 522 O LEU A 40 -4.640 -1.736 -4.104 1.00 0.00 O ATOM 523 CB LEU A 40 -7.763 -1.134 -5.326 1.00 0.00 C ATOM 524 CG LEU A 40 -7.320 0.322 -5.118 1.00 0.00 C ATOM 525 CD1 LEU A 40 -6.450 0.837 -6.270 1.00 0.00 C ATOM 526 CD2 LEU A 40 -8.566 1.206 -5.029 1.00 0.00 C ATOM 0 H LEU A 40 -8.301 -3.433 -5.568 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.922 -1.944 -6.165 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.330 -1.190 -6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.446 -1.403 -4.520 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.729 0.360 -4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.163 1.870 -6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.554 0.221 -6.353 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.013 0.786 -7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.266 2.243 -4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.139 1.122 -5.953 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.182 0.883 -4.190 1.00 0.00 H new ATOM 538 N LEU A 41 -6.291 -2.822 -3.027 1.00 0.00 N ATOM 539 CA LEU A 41 -5.567 -2.983 -1.765 1.00 0.00 C ATOM 540 C LEU A 41 -4.441 -4.031 -1.878 1.00 0.00 C ATOM 541 O LEU A 41 -3.358 -3.825 -1.327 1.00 0.00 O ATOM 542 CB LEU A 41 -6.591 -3.290 -0.656 1.00 0.00 C ATOM 543 CG LEU A 41 -6.046 -3.261 0.784 1.00 0.00 C ATOM 544 CD1 LEU A 41 -5.443 -1.907 1.165 1.00 0.00 C ATOM 545 CD2 LEU A 41 -7.190 -3.516 1.772 1.00 0.00 C ATOM 0 H LEU A 41 -7.229 -3.223 -3.010 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.051 -2.059 -1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.406 -2.570 -0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.017 -4.275 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.272 -4.027 0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.076 -1.948 2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.617 -1.674 0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.206 -1.133 1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.803 -3.495 2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.949 -2.743 1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.633 -4.492 1.572 1.00 0.00 H new ATOM 557 N ALA A 42 -4.646 -5.108 -2.652 1.00 0.00 N ATOM 558 CA ALA A 42 -3.597 -6.088 -2.960 1.00 0.00 C ATOM 559 C ALA A 42 -2.468 -5.502 -3.834 1.00 0.00 C ATOM 560 O ALA A 42 -1.298 -5.795 -3.590 1.00 0.00 O ATOM 561 CB ALA A 42 -4.225 -7.318 -3.626 1.00 0.00 C ATOM 0 H ALA A 42 -5.546 -5.323 -3.082 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.130 -6.379 -2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.446 -8.045 -3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.953 -7.766 -2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.723 -7.018 -4.548 1.00 0.00 H new ATOM 567 N LYS A 43 -2.781 -4.618 -4.793 1.00 0.00 N ATOM 568 CA LYS A 43 -1.788 -3.860 -5.578 1.00 0.00 C ATOM 569 C LYS A 43 -0.905 -2.986 -4.682 1.00 0.00 C ATOM 570 O LYS A 43 0.324 -3.039 -4.792 1.00 0.00 O ATOM 571 CB LYS A 43 -2.512 -3.013 -6.646 1.00 0.00 C ATOM 572 CG LYS A 43 -2.775 -3.801 -7.943 1.00 0.00 C ATOM 573 CD LYS A 43 -1.525 -3.909 -8.838 1.00 0.00 C ATOM 574 CE LYS A 43 -1.235 -2.581 -9.547 1.00 0.00 C ATOM 575 NZ LYS A 43 -0.068 -2.692 -10.462 1.00 0.00 N1+ ATOM 0 H LYS A 43 -3.745 -4.405 -5.051 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.126 -4.569 -6.075 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.460 -2.657 -6.242 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.912 -2.132 -6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.123 -4.802 -7.690 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.576 -3.316 -8.502 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.665 -4.197 -8.233 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.671 -4.695 -9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.113 -2.271 -10.113 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.044 -1.806 -8.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.099 -1.775 -10.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.775 -2.964 -9.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.261 -3.414 -11.185 1.00 0.00 H new ATOM 589 N SER A 44 -1.509 -2.235 -3.758 1.00 0.00 N ATOM 590 CA SER A 44 -0.784 -1.417 -2.777 1.00 0.00 C ATOM 591 C SER A 44 0.129 -2.273 -1.874 1.00 0.00 C ATOM 592 O SER A 44 1.303 -1.954 -1.682 1.00 0.00 O ATOM 593 CB SER A 44 -1.790 -0.612 -1.951 1.00 0.00 C ATOM 594 OG SER A 44 -1.121 0.325 -1.140 1.00 0.00 O ATOM 0 H SER A 44 -2.523 -2.176 -3.667 1.00 0.00 H new ATOM 0 HA SER A 44 -0.128 -0.730 -3.313 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.486 -0.098 -2.614 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.381 -1.285 -1.329 1.00 0.00 H new ATOM 0 HG SER A 44 -1.579 0.396 -0.277 1.00 0.00 H new ATOM 600 N LEU A 45 -0.361 -3.428 -1.402 1.00 0.00 N ATOM 601 CA LEU A 45 0.418 -4.407 -0.630 1.00 0.00 C ATOM 602 C LEU A 45 1.595 -5.004 -1.427 1.00 0.00 C ATOM 603 O LEU A 45 2.706 -5.125 -0.907 1.00 0.00 O ATOM 604 CB LEU A 45 -0.574 -5.457 -0.081 1.00 0.00 C ATOM 605 CG LEU A 45 -0.041 -6.635 0.761 1.00 0.00 C ATOM 606 CD1 LEU A 45 0.547 -7.766 -0.085 1.00 0.00 C ATOM 607 CD2 LEU A 45 0.982 -6.214 1.813 1.00 0.00 C ATOM 0 H LEU A 45 -1.329 -3.714 -1.549 1.00 0.00 H new ATOM 0 HA LEU A 45 0.916 -3.918 0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.308 -4.927 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.108 -5.879 -0.932 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.927 -7.010 1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.903 -8.562 0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.221 -8.160 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.378 -7.383 -0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.315 -7.091 2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.837 -5.749 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.525 -5.501 2.500 1.00 0.00 H new ATOM 619 N THR A 46 1.391 -5.341 -2.705 1.00 0.00 N ATOM 620 CA THR A 46 2.421 -5.947 -3.567 1.00 0.00 C ATOM 621 C THR A 46 3.637 -5.033 -3.762 1.00 0.00 C ATOM 622 O THR A 46 4.774 -5.503 -3.712 1.00 0.00 O ATOM 623 CB THR A 46 1.826 -6.354 -4.932 1.00 0.00 C ATOM 624 OG1 THR A 46 0.835 -7.347 -4.750 1.00 0.00 O ATOM 625 CG2 THR A 46 2.859 -6.955 -5.894 1.00 0.00 C ATOM 0 H THR A 46 0.498 -5.201 -3.178 1.00 0.00 H new ATOM 0 HA THR A 46 2.772 -6.842 -3.054 1.00 0.00 H new ATOM 0 HB THR A 46 1.429 -5.434 -5.360 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.042 -6.946 -4.336 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.372 -7.218 -6.833 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.646 -6.225 -6.085 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.294 -7.849 -5.448 1.00 0.00 H new ATOM 633 N GLU A 47 3.442 -3.720 -3.914 1.00 0.00 N ATOM 634 CA GLU A 47 4.545 -2.763 -4.113 1.00 0.00 C ATOM 635 C GLU A 47 5.479 -2.656 -2.891 1.00 0.00 C ATOM 636 O GLU A 47 6.687 -2.467 -3.046 1.00 0.00 O ATOM 637 CB GLU A 47 3.957 -1.407 -4.523 1.00 0.00 C ATOM 638 CG GLU A 47 4.987 -0.324 -4.914 1.00 0.00 C ATOM 639 CD GLU A 47 5.834 -0.657 -6.169 1.00 0.00 C ATOM 640 OE1 GLU A 47 6.819 0.071 -6.435 1.00 0.00 O ATOM 641 OE2 GLU A 47 5.507 -1.609 -6.919 1.00 0.00 O1- ATOM 0 H GLU A 47 2.519 -3.287 -3.903 1.00 0.00 H new ATOM 0 HA GLU A 47 5.184 -3.132 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.283 -1.563 -5.365 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.354 -1.028 -3.698 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.459 0.614 -5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.659 -0.161 -4.072 1.00 0.00 H new ATOM 648 N ILE A 48 4.958 -2.867 -1.672 1.00 0.00 N ATOM 649 CA ILE A 48 5.765 -2.961 -0.442 1.00 0.00 C ATOM 650 C ILE A 48 6.750 -4.141 -0.543 1.00 0.00 C ATOM 651 O ILE A 48 7.952 -3.990 -0.307 1.00 0.00 O ATOM 652 CB ILE A 48 4.867 -3.108 0.815 1.00 0.00 C ATOM 653 CG1 ILE A 48 3.844 -1.956 0.958 1.00 0.00 C ATOM 654 CG2 ILE A 48 5.728 -3.238 2.086 1.00 0.00 C ATOM 655 CD1 ILE A 48 2.692 -2.292 1.916 1.00 0.00 C ATOM 0 H ILE A 48 3.957 -2.978 -1.510 1.00 0.00 H new ATOM 0 HA ILE A 48 6.330 -2.035 -0.338 1.00 0.00 H new ATOM 0 HB ILE A 48 4.289 -4.023 0.685 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.358 -1.064 1.315 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.435 -1.717 -0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.079 -3.340 2.956 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.367 -4.118 2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.348 -2.349 2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.008 -1.445 1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.156 -3.167 1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.093 -2.503 2.907 1.00 0.00 H new ATOM 667 N LYS A 49 6.249 -5.320 -0.939 1.00 0.00 N ATOM 668 CA LYS A 49 7.038 -6.559 -1.070 1.00 0.00 C ATOM 669 C LYS A 49 8.120 -6.450 -2.148 1.00 0.00 C ATOM 670 O LYS A 49 9.233 -6.933 -1.940 1.00 0.00 O ATOM 671 CB LYS A 49 6.098 -7.746 -1.337 1.00 0.00 C ATOM 672 CG LYS A 49 5.210 -8.073 -0.124 1.00 0.00 C ATOM 673 CD LYS A 49 4.235 -9.214 -0.454 1.00 0.00 C ATOM 674 CE LYS A 49 3.379 -9.628 0.750 1.00 0.00 C ATOM 675 NZ LYS A 49 4.162 -10.370 1.770 1.00 0.00 N1+ ATOM 0 H LYS A 49 5.266 -5.444 -1.182 1.00 0.00 H new ATOM 0 HA LYS A 49 7.563 -6.725 -0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.466 -7.520 -2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.690 -8.623 -1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.834 -8.356 0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.651 -7.186 0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.582 -8.904 -1.270 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.799 -10.077 -0.808 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.943 -8.739 1.206 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.551 -10.249 0.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.595 -11.162 2.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.034 -10.738 1.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.407 -9.730 2.553 1.00 0.00 H new ATOM 689 N ARG A 50 7.838 -5.763 -3.265 1.00 0.00 N ATOM 690 CA ARG A 50 8.817 -5.467 -4.333 1.00 0.00 C ATOM 691 C ARG A 50 9.994 -4.618 -3.830 1.00 0.00 C ATOM 692 O ARG A 50 11.146 -4.943 -4.125 1.00 0.00 O ATOM 693 CB ARG A 50 8.118 -4.780 -5.523 1.00 0.00 C ATOM 694 CG ARG A 50 7.114 -5.664 -6.279 1.00 0.00 C ATOM 695 CD ARG A 50 7.780 -6.834 -7.021 1.00 0.00 C ATOM 696 NE ARG A 50 6.793 -7.599 -7.806 1.00 0.00 N ATOM 697 CZ ARG A 50 6.023 -8.595 -7.395 1.00 0.00 C ATOM 698 NH1 ARG A 50 6.037 -9.020 -6.162 1.00 0.00 N1+ ATOM 699 NH2 ARG A 50 5.213 -9.184 -8.224 1.00 0.00 N ATOM 0 H ARG A 50 6.909 -5.389 -3.459 1.00 0.00 H new ATOM 0 HA ARG A 50 9.233 -6.418 -4.664 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.598 -3.894 -5.159 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.879 -4.437 -6.224 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.383 -6.058 -5.573 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.567 -5.051 -6.996 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.558 -6.453 -7.682 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.267 -7.493 -6.303 1.00 0.00 H new ATOM 0 HE ARG A 50 6.691 -7.328 -8.784 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.655 -8.582 -5.479 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.430 -9.790 -5.881 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.168 -8.880 -9.196 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.622 -9.951 -7.902 1.00 0.00 H new ATOM 713 N LEU A 51 9.728 -3.585 -3.025 1.00 0.00 N ATOM 714 CA LEU A 51 10.778 -2.765 -2.402 1.00 0.00 C ATOM 715 C LEU A 51 11.591 -3.567 -1.377 1.00 0.00 C ATOM 716 O LEU A 51 12.823 -3.511 -1.399 1.00 0.00 O ATOM 717 CB LEU A 51 10.153 -1.520 -1.735 1.00 0.00 C ATOM 718 CG LEU A 51 10.180 -0.218 -2.555 1.00 0.00 C ATOM 719 CD1 LEU A 51 11.611 0.293 -2.737 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.513 -0.365 -3.921 1.00 0.00 C ATOM 0 H LEU A 51 8.781 -3.292 -2.785 1.00 0.00 H new ATOM 0 HA LEU A 51 11.463 -2.446 -3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.116 -1.748 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.671 -1.341 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 51 9.606 0.509 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.597 1.214 -3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.054 0.488 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.202 -0.459 -3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.562 0.585 -4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.030 -1.132 -4.498 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.470 -0.653 -3.788 1.00 0.00 H new ATOM 732 N LYS A 52 10.928 -4.333 -0.498 1.00 0.00 N ATOM 733 CA LYS A 52 11.593 -5.153 0.532 1.00 0.00 C ATOM 734 C LYS A 52 12.485 -6.247 -0.060 1.00 0.00 C ATOM 735 O LYS A 52 13.573 -6.470 0.469 1.00 0.00 O ATOM 736 CB LYS A 52 10.559 -5.741 1.503 1.00 0.00 C ATOM 737 CG LYS A 52 10.016 -4.649 2.433 1.00 0.00 C ATOM 738 CD LYS A 52 9.031 -5.219 3.460 1.00 0.00 C ATOM 739 CE LYS A 52 8.470 -4.091 4.335 1.00 0.00 C ATOM 740 NZ LYS A 52 7.589 -4.627 5.398 1.00 0.00 N1+ ATOM 0 H LYS A 52 9.911 -4.403 -0.480 1.00 0.00 H new ATOM 0 HA LYS A 52 12.256 -4.489 1.087 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.739 -6.191 0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.016 -6.536 2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.845 -4.167 2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.520 -3.880 1.841 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.217 -5.732 2.948 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.532 -5.959 4.084 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.291 -3.534 4.786 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.912 -3.390 3.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.923 -3.888 5.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.057 -5.442 5.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.167 -4.928 6.209 1.00 0.00 H new ATOM 754 N ALA A 53 12.099 -6.865 -1.177 1.00 0.00 N ATOM 755 CA ALA A 53 12.929 -7.840 -1.883 1.00 0.00 C ATOM 756 C ALA A 53 14.254 -7.220 -2.383 1.00 0.00 C ATOM 757 O ALA A 53 15.322 -7.800 -2.168 1.00 0.00 O ATOM 758 CB ALA A 53 12.107 -8.443 -3.032 1.00 0.00 C ATOM 0 H ALA A 53 11.195 -6.701 -1.620 1.00 0.00 H new ATOM 0 HA ALA A 53 13.217 -8.632 -1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.713 -9.173 -3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.222 -8.934 -2.628 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.802 -7.651 -3.716 1.00 0.00 H new ATOM 764 N ALA A 54 14.211 -6.028 -2.990 1.00 0.00 N ATOM 765 CA ALA A 54 15.404 -5.308 -3.452 1.00 0.00 C ATOM 766 C ALA A 54 16.299 -4.821 -2.291 1.00 0.00 C ATOM 767 O ALA A 54 17.526 -4.943 -2.351 1.00 0.00 O ATOM 768 CB ALA A 54 14.941 -4.136 -4.329 1.00 0.00 C ATOM 0 H ALA A 54 13.340 -5.532 -3.176 1.00 0.00 H new ATOM 0 HA ALA A 54 16.026 -5.993 -4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 54 15.810 -3.583 -4.686 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.379 -4.519 -5.181 1.00 0.00 H new ATOM 0 HB3 ALA A 54 14.305 -3.473 -3.743 1.00 0.00 H new ATOM 774 N ASN A 55 15.691 -4.307 -1.214 1.00 0.00 N ATOM 775 CA ASN A 55 16.388 -3.850 -0.007 1.00 0.00 C ATOM 776 C ASN A 55 17.093 -5.024 0.712 1.00 0.00 C ATOM 777 O ASN A 55 18.267 -4.926 1.074 1.00 0.00 O ATOM 778 CB ASN A 55 15.349 -3.122 0.874 1.00 0.00 C ATOM 779 CG ASN A 55 15.966 -2.202 1.925 1.00 0.00 C ATOM 780 OD1 ASN A 55 16.903 -2.547 2.627 1.00 0.00 O ATOM 781 ND2 ASN A 55 15.452 -0.996 2.064 1.00 0.00 N ATOM 0 H ASN A 55 14.679 -4.195 -1.157 1.00 0.00 H new ATOM 0 HA ASN A 55 17.191 -3.155 -0.253 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.691 -2.535 0.233 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.728 -3.864 1.375 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.837 -0.354 2.757 1.00 0.00 H new ATOM 0 HD22 ASN A 55 14.669 -0.705 1.479 1.00 0.00 H new ATOM 1054 N PRO B 110 -9.289 -13.712 -0.746 1.00 0.00 N ATOM 1055 CA PRO B 110 -10.298 -13.014 0.062 1.00 0.00 C ATOM 1056 C PRO B 110 -9.755 -11.788 0.817 1.00 0.00 C ATOM 1057 O PRO B 110 -8.582 -11.719 1.181 1.00 0.00 O ATOM 1058 CB PRO B 110 -10.891 -14.062 1.013 1.00 0.00 C ATOM 1059 CG PRO B 110 -9.839 -15.168 1.045 1.00 0.00 C ATOM 1060 CD PRO B 110 -9.259 -15.119 -0.364 1.00 0.00 C ATOM 0 HA PRO B 110 -11.061 -12.592 -0.592 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -11.065 -13.647 2.006 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -11.850 -14.433 0.650 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -9.078 -14.981 1.803 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -10.280 -16.140 1.268 1.00 0.00 H new ATOM 0 HD2 PRO B 110 -8.242 -15.510 -0.384 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -9.847 -15.726 -1.052 1.00 0.00 H new ATOM 1068 N ILE B 111 -10.638 -10.816 1.075 1.00 0.00 N ATOM 1069 CA ILE B 111 -10.260 -9.489 1.589 1.00 0.00 C ATOM 1070 C ILE B 111 -9.643 -9.521 2.999 1.00 0.00 C ATOM 1071 O ILE B 111 -8.766 -8.713 3.306 1.00 0.00 O ATOM 1072 CB ILE B 111 -11.472 -8.540 1.487 1.00 0.00 C ATOM 1073 CG1 ILE B 111 -10.990 -7.079 1.598 1.00 0.00 C ATOM 1074 CG2 ILE B 111 -12.578 -8.843 2.515 1.00 0.00 C ATOM 1075 CD1 ILE B 111 -12.028 -6.076 1.096 1.00 0.00 C ATOM 0 H ILE B 111 -11.642 -10.926 0.933 1.00 0.00 H new ATOM 0 HA ILE B 111 -9.456 -9.104 0.961 1.00 0.00 H new ATOM 0 HB ILE B 111 -11.932 -8.704 0.512 1.00 0.00 H new ATOM 0 HG12 ILE B 111 -10.750 -6.858 2.638 1.00 0.00 H new ATOM 0 HG13 ILE B 111 -10.070 -6.960 1.026 1.00 0.00 H new ATOM 0 HG21 ILE B 111 -13.399 -8.137 2.385 1.00 0.00 H new ATOM 0 HG22 ILE B 111 -12.945 -9.858 2.365 1.00 0.00 H new ATOM 0 HG23 ILE B 111 -12.174 -8.748 3.523 1.00 0.00 H new ATOM 0 HD11 ILE B 111 -11.635 -5.064 1.198 1.00 0.00 H new ATOM 0 HD12 ILE B 111 -12.249 -6.276 0.048 1.00 0.00 H new ATOM 0 HD13 ILE B 111 -12.941 -6.172 1.684 1.00 0.00 H new ATOM 1087 N ASP B 112 -10.024 -10.493 3.830 1.00 0.00 N ATOM 1088 CA ASP B 112 -9.431 -10.706 5.158 1.00 0.00 C ATOM 1089 C ASP B 112 -7.961 -11.162 5.070 1.00 0.00 C ATOM 1090 O ASP B 112 -7.156 -10.814 5.934 1.00 0.00 O ATOM 1091 CB ASP B 112 -10.255 -11.741 5.943 1.00 0.00 C ATOM 1092 CG ASP B 112 -11.734 -11.370 6.165 1.00 0.00 C ATOM 1093 OD1 ASP B 112 -12.084 -10.166 6.227 1.00 0.00 O ATOM 1094 OD2 ASP B 112 -12.564 -12.301 6.322 1.00 0.00 O1- ATOM 0 H ASP B 112 -10.759 -11.162 3.601 1.00 0.00 H new ATOM 0 HA ASP B 112 -9.448 -9.750 5.681 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -10.211 -12.693 5.414 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -9.786 -11.894 6.915 1.00 0.00 H new ATOM 1099 N GLU B 113 -7.580 -11.906 4.025 1.00 0.00 N ATOM 1100 CA GLU B 113 -6.218 -12.411 3.830 1.00 0.00 C ATOM 1101 C GLU B 113 -5.256 -11.298 3.389 1.00 0.00 C ATOM 1102 O GLU B 113 -4.213 -11.111 4.013 1.00 0.00 O ATOM 1103 CB GLU B 113 -6.255 -13.574 2.827 1.00 0.00 C ATOM 1104 CG GLU B 113 -4.914 -14.298 2.626 1.00 0.00 C ATOM 1105 CD GLU B 113 -4.412 -15.085 3.860 1.00 0.00 C ATOM 1106 OE1 GLU B 113 -3.262 -15.588 3.813 1.00 0.00 O ATOM 1107 OE2 GLU B 113 -5.148 -15.243 4.864 1.00 0.00 O1- ATOM 0 H GLU B 113 -8.221 -12.178 3.279 1.00 0.00 H new ATOM 0 HA GLU B 113 -5.833 -12.779 4.781 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -6.996 -14.300 3.161 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -6.594 -13.193 1.864 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -5.011 -14.987 1.787 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -4.158 -13.563 2.349 1.00 0.00 H new ATOM 1114 N LEU B 114 -5.617 -10.501 2.373 1.00 0.00 N ATOM 1115 CA LEU B 114 -4.783 -9.372 1.929 1.00 0.00 C ATOM 1116 C LEU B 114 -4.703 -8.241 2.977 1.00 0.00 C ATOM 1117 O LEU B 114 -3.650 -7.623 3.135 1.00 0.00 O ATOM 1118 CB LEU B 114 -5.225 -8.892 0.536 1.00 0.00 C ATOM 1119 CG LEU B 114 -6.653 -8.328 0.445 1.00 0.00 C ATOM 1120 CD1 LEU B 114 -6.645 -6.804 0.496 1.00 0.00 C ATOM 1121 CD2 LEU B 114 -7.326 -8.754 -0.855 1.00 0.00 C ATOM 0 H LEU B 114 -6.481 -10.616 1.843 1.00 0.00 H new ATOM 0 HA LEU B 114 -3.757 -9.727 1.833 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -4.529 -8.124 0.199 1.00 0.00 H new ATOM 0 HB3 LEU B 114 -5.139 -9.727 -0.160 1.00 0.00 H new ATOM 0 HG LEU B 114 -7.205 -8.724 1.297 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -7.668 -6.432 0.430 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -6.199 -6.474 1.434 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -6.063 -6.415 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -8.334 -8.342 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -6.749 -8.383 -1.702 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -7.376 -9.842 -0.899 1.00 0.00 H new ATOM 1133 N SER B 115 -5.772 -8.029 3.754 1.00 0.00 N ATOM 1134 CA SER B 115 -5.745 -7.170 4.945 1.00 0.00 C ATOM 1135 C SER B 115 -4.794 -7.717 6.030 1.00 0.00 C ATOM 1136 O SER B 115 -3.966 -6.974 6.558 1.00 0.00 O ATOM 1137 CB SER B 115 -7.151 -6.997 5.516 1.00 0.00 C ATOM 1138 OG SER B 115 -7.138 -6.073 6.589 1.00 0.00 O ATOM 0 H SER B 115 -6.684 -8.450 3.574 1.00 0.00 H new ATOM 0 HA SER B 115 -5.365 -6.198 4.632 1.00 0.00 H new ATOM 0 HB2 SER B 115 -7.827 -6.648 4.735 1.00 0.00 H new ATOM 0 HB3 SER B 115 -7.531 -7.959 5.860 1.00 0.00 H new ATOM 0 HG SER B 115 -7.592 -5.248 6.316 1.00 0.00 H new ATOM 1144 N ALA B 116 -4.830 -9.020 6.342 1.00 0.00 N ATOM 1145 CA ALA B 116 -3.876 -9.623 7.281 1.00 0.00 C ATOM 1146 C ALA B 116 -2.416 -9.531 6.793 1.00 0.00 C ATOM 1147 O ALA B 116 -1.508 -9.351 7.609 1.00 0.00 O ATOM 1148 CB ALA B 116 -4.262 -11.079 7.545 1.00 0.00 C ATOM 0 H ALA B 116 -5.510 -9.676 5.957 1.00 0.00 H new ATOM 0 HA ALA B 116 -3.929 -9.053 8.208 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -3.552 -11.523 8.242 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -5.264 -11.118 7.973 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -4.246 -11.635 6.608 1.00 0.00 H new ATOM 1154 N LEU B 117 -2.173 -9.629 5.483 1.00 0.00 N ATOM 1155 CA LEU B 117 -0.839 -9.462 4.892 1.00 0.00 C ATOM 1156 C LEU B 117 -0.299 -8.039 5.105 1.00 0.00 C ATOM 1157 O LEU B 117 0.831 -7.906 5.577 1.00 0.00 O ATOM 1158 CB LEU B 117 -0.868 -9.863 3.404 1.00 0.00 C ATOM 1159 CG LEU B 117 -0.344 -11.285 3.109 1.00 0.00 C ATOM 1160 CD1 LEU B 117 -1.049 -12.392 3.895 1.00 0.00 C ATOM 1161 CD2 LEU B 117 -0.502 -11.597 1.619 1.00 0.00 C ATOM 0 H LEU B 117 -2.901 -9.828 4.796 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.144 -10.128 5.404 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -1.893 -9.785 3.041 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -0.274 -9.147 2.837 1.00 0.00 H new ATOM 0 HG LEU B 117 0.701 -11.278 3.420 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -0.620 -13.358 3.628 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -0.918 -12.220 4.963 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -2.112 -12.388 3.655 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -0.131 -12.602 1.416 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.555 -11.537 1.344 1.00 0.00 H new ATOM 0 HD23 LEU B 117 0.067 -10.875 1.034 1.00 0.00 H new ATOM 1173 N LEU B 118 -1.069 -6.976 4.831 1.00 0.00 N ATOM 1174 CA LEU B 118 -0.576 -5.603 5.041 1.00 0.00 C ATOM 1175 C LEU B 118 -0.357 -5.276 6.530 1.00 0.00 C ATOM 1176 O LEU B 118 0.621 -4.605 6.865 1.00 0.00 O ATOM 1177 CB LEU B 118 -1.444 -4.587 4.270 1.00 0.00 C ATOM 1178 CG LEU B 118 -2.765 -4.127 4.917 1.00 0.00 C ATOM 1179 CD1 LEU B 118 -2.604 -2.879 5.799 1.00 0.00 C ATOM 1180 CD2 LEU B 118 -3.786 -3.783 3.835 1.00 0.00 C ATOM 0 H LEU B 118 -2.021 -7.035 4.469 1.00 0.00 H new ATOM 0 HA LEU B 118 0.423 -5.523 4.612 1.00 0.00 H new ATOM 0 HB2 LEU B 118 -0.836 -3.701 4.085 1.00 0.00 H new ATOM 0 HB3 LEU B 118 -1.681 -5.020 3.298 1.00 0.00 H new ATOM 0 HG LEU B 118 -3.095 -4.958 5.541 1.00 0.00 H new ATOM 0 HD11 LEU B 118 -3.570 -2.607 6.225 1.00 0.00 H new ATOM 0 HD12 LEU B 118 -1.900 -3.090 6.604 1.00 0.00 H new ATOM 0 HD13 LEU B 118 -2.228 -2.053 5.195 1.00 0.00 H new ATOM 0 HD21 LEU B 118 -4.716 -3.459 4.302 1.00 0.00 H new ATOM 0 HD22 LEU B 118 -3.396 -2.981 3.209 1.00 0.00 H new ATOM 0 HD23 LEU B 118 -3.976 -4.663 3.221 1.00 0.00 H new ATOM 1192 N ARG B 119 -1.186 -5.810 7.439 1.00 0.00 N ATOM 1193 CA ARG B 119 -0.972 -5.713 8.898 1.00 0.00 C ATOM 1194 C ARG B 119 0.339 -6.394 9.317 1.00 0.00 C ATOM 1195 O ARG B 119 1.168 -5.773 9.979 1.00 0.00 O ATOM 1196 CB ARG B 119 -2.175 -6.332 9.636 1.00 0.00 C ATOM 1197 CG ARG B 119 -3.481 -5.536 9.444 1.00 0.00 C ATOM 1198 CD ARG B 119 -4.682 -6.365 9.923 1.00 0.00 C ATOM 1199 NE ARG B 119 -5.949 -5.911 9.319 1.00 0.00 N ATOM 1200 CZ ARG B 119 -6.926 -5.220 9.869 1.00 0.00 C ATOM 1201 NH1 ARG B 119 -6.850 -4.713 11.066 1.00 0.00 N1+ ATOM 1202 NH2 ARG B 119 -8.023 -5.036 9.201 1.00 0.00 N ATOM 0 H ARG B 119 -2.029 -6.325 7.186 1.00 0.00 H new ATOM 0 HA ARG B 119 -0.889 -4.661 9.170 1.00 0.00 H new ATOM 0 HB2 ARG B 119 -2.324 -7.352 9.283 1.00 0.00 H new ATOM 0 HB3 ARG B 119 -1.948 -6.393 10.700 1.00 0.00 H new ATOM 0 HG2 ARG B 119 -3.430 -4.600 10.001 1.00 0.00 H new ATOM 0 HG3 ARG B 119 -3.606 -5.275 8.393 1.00 0.00 H new ATOM 0 HD2 ARG B 119 -4.519 -7.414 9.676 1.00 0.00 H new ATOM 0 HD3 ARG B 119 -4.756 -6.301 11.009 1.00 0.00 H new ATOM 0 HE ARG B 119 -6.087 -6.167 8.341 1.00 0.00 H new ATOM 0 HH11 ARG B 119 -6.005 -4.844 11.623 1.00 0.00 H new ATOM 0 HH12 ARG B 119 -7.635 -4.185 11.447 1.00 0.00 H new ATOM 0 HH21 ARG B 119 -8.120 -5.424 8.263 1.00 0.00 H new ATOM 0 HH22 ARG B 119 -8.788 -4.503 9.614 1.00 0.00 H new ATOM 1216 N GLN B 120 0.554 -7.640 8.890 1.00 0.00 N ATOM 1217 CA GLN B 120 1.758 -8.421 9.216 1.00 0.00 C ATOM 1218 C GLN B 120 3.045 -7.850 8.589 1.00 0.00 C ATOM 1219 O GLN B 120 4.098 -7.888 9.232 1.00 0.00 O ATOM 1220 CB GLN B 120 1.549 -9.893 8.818 1.00 0.00 C ATOM 1221 CG GLN B 120 0.639 -10.633 9.812 1.00 0.00 C ATOM 1222 CD GLN B 120 0.232 -12.014 9.308 1.00 0.00 C ATOM 1223 OE1 GLN B 120 0.645 -13.046 9.826 1.00 0.00 O ATOM 1224 NE2 GLN B 120 -0.568 -12.086 8.266 1.00 0.00 N ATOM 0 H GLN B 120 -0.108 -8.145 8.301 1.00 0.00 H new ATOM 0 HA GLN B 120 1.903 -8.354 10.294 1.00 0.00 H new ATOM 0 HB2 GLN B 120 1.112 -9.941 7.821 1.00 0.00 H new ATOM 0 HB3 GLN B 120 2.515 -10.396 8.767 1.00 0.00 H new ATOM 0 HG2 GLN B 120 1.155 -10.735 10.767 1.00 0.00 H new ATOM 0 HG3 GLN B 120 -0.255 -10.037 9.995 1.00 0.00 H new ATOM 0 HE21 GLN B 120 -0.916 -11.232 7.830 1.00 0.00 H new ATOM 0 HE22 GLN B 120 -0.841 -12.996 7.894 1.00 0.00 H new ATOM 1233 N GLU B 121 2.981 -7.257 7.393 1.00 0.00 N ATOM 1234 CA GLU B 121 4.111 -6.548 6.769 1.00 0.00 C ATOM 1235 C GLU B 121 4.577 -5.335 7.595 1.00 0.00 C ATOM 1236 O GLU B 121 5.770 -5.036 7.635 1.00 0.00 O ATOM 1237 CB GLU B 121 3.718 -6.086 5.347 1.00 0.00 C ATOM 1238 CG GLU B 121 3.870 -7.188 4.285 1.00 0.00 C ATOM 1239 CD GLU B 121 5.331 -7.634 4.074 1.00 0.00 C ATOM 1240 OE1 GLU B 121 6.271 -6.889 4.446 1.00 0.00 O ATOM 1241 OE2 GLU B 121 5.539 -8.742 3.523 1.00 0.00 O1- ATOM 0 H GLU B 121 2.136 -7.254 6.822 1.00 0.00 H new ATOM 0 HA GLU B 121 4.944 -7.249 6.722 1.00 0.00 H new ATOM 0 HB2 GLU B 121 2.684 -5.741 5.357 1.00 0.00 H new ATOM 0 HB3 GLU B 121 4.336 -5.233 5.066 1.00 0.00 H new ATOM 0 HG2 GLU B 121 3.273 -8.051 4.579 1.00 0.00 H new ATOM 0 HG3 GLU B 121 3.467 -6.829 3.338 1.00 0.00 H new ATOM 1248 N MET B 122 3.654 -4.657 8.280 1.00 0.00 N ATOM 1249 CA MET B 122 3.933 -3.540 9.193 1.00 0.00 C ATOM 1250 C MET B 122 4.202 -3.987 10.646 1.00 0.00 C ATOM 1251 O MET B 122 4.426 -3.144 11.519 1.00 0.00 O ATOM 1252 CB MET B 122 2.774 -2.531 9.109 1.00 0.00 C ATOM 1253 CG MET B 122 2.670 -1.943 7.694 1.00 0.00 C ATOM 1254 SD MET B 122 1.324 -0.759 7.472 1.00 0.00 S ATOM 1255 CE MET B 122 0.736 -1.298 5.847 1.00 0.00 C ATOM 0 H MET B 122 2.660 -4.875 8.215 1.00 0.00 H new ATOM 0 HA MET B 122 4.860 -3.065 8.873 1.00 0.00 H new ATOM 0 HB2 MET B 122 1.838 -3.022 9.374 1.00 0.00 H new ATOM 0 HB3 MET B 122 2.930 -1.729 9.831 1.00 0.00 H new ATOM 0 HG2 MET B 122 3.612 -1.453 7.448 1.00 0.00 H new ATOM 0 HG3 MET B 122 2.540 -2.759 6.984 1.00 0.00 H new ATOM 0 HE1 MET B 122 -0.057 -0.632 5.508 1.00 0.00 H new ATOM 0 HE2 MET B 122 1.561 -1.273 5.135 1.00 0.00 H new ATOM 0 HE3 MET B 122 0.350 -2.315 5.919 1.00 0.00 H new ATOM 1349 N SER B 133 -17.298 -0.126 4.275 1.00 0.00 N ATOM 1350 CA SER B 133 -17.718 1.285 4.161 1.00 0.00 C ATOM 1351 C SER B 133 -16.544 2.209 3.775 1.00 0.00 C ATOM 1352 O SER B 133 -15.379 1.814 3.862 1.00 0.00 O ATOM 1353 CB SER B 133 -18.392 1.741 5.466 1.00 0.00 C ATOM 1354 OG SER B 133 -17.478 1.830 6.549 1.00 0.00 O ATOM 0 HA SER B 133 -18.445 1.357 3.352 1.00 0.00 H new ATOM 0 HB2 SER B 133 -18.860 2.713 5.309 1.00 0.00 H new ATOM 0 HB3 SER B 133 -19.188 1.042 5.723 1.00 0.00 H new ATOM 0 HG SER B 133 -16.994 0.983 6.639 1.00 0.00 H new ATOM 1360 N MET B 134 -16.832 3.445 3.344 1.00 0.00 N ATOM 1361 CA MET B 134 -15.827 4.377 2.795 1.00 0.00 C ATOM 1362 C MET B 134 -14.665 4.678 3.768 1.00 0.00 C ATOM 1363 O MET B 134 -13.516 4.825 3.344 1.00 0.00 O ATOM 1364 CB MET B 134 -16.530 5.676 2.361 1.00 0.00 C ATOM 1365 CG MET B 134 -15.674 6.526 1.403 1.00 0.00 C ATOM 1366 SD MET B 134 -16.122 6.423 -0.360 1.00 0.00 S ATOM 1367 CE MET B 134 -15.853 4.663 -0.712 1.00 0.00 C ATOM 0 H MET B 134 -17.775 3.833 3.365 1.00 0.00 H new ATOM 0 HA MET B 134 -15.367 3.890 1.935 1.00 0.00 H new ATOM 0 HB2 MET B 134 -17.474 5.428 1.875 1.00 0.00 H new ATOM 0 HB3 MET B 134 -16.772 6.266 3.245 1.00 0.00 H new ATOM 0 HG2 MET B 134 -15.739 7.568 1.715 1.00 0.00 H new ATOM 0 HG3 MET B 134 -14.632 6.225 1.512 1.00 0.00 H new ATOM 0 HE1 MET B 134 -16.055 4.468 -1.765 1.00 0.00 H new ATOM 0 HE2 MET B 134 -14.819 4.401 -0.486 1.00 0.00 H new ATOM 0 HE3 MET B 134 -16.523 4.062 -0.097 1.00 0.00 H new ATOM 1377 N GLN B 135 -14.932 4.719 5.077 1.00 0.00 N ATOM 1378 CA GLN B 135 -13.897 4.900 6.111 1.00 0.00 C ATOM 1379 C GLN B 135 -12.981 3.670 6.276 1.00 0.00 C ATOM 1380 O GLN B 135 -11.827 3.821 6.661 1.00 0.00 O ATOM 1381 CB GLN B 135 -14.574 5.280 7.442 1.00 0.00 C ATOM 1382 CG GLN B 135 -15.339 4.119 8.103 1.00 0.00 C ATOM 1383 CD GLN B 135 -16.587 4.561 8.861 1.00 0.00 C ATOM 1384 OE1 GLN B 135 -16.595 5.498 9.650 1.00 0.00 O ATOM 1385 NE2 GLN B 135 -17.699 3.890 8.663 1.00 0.00 N ATOM 0 H GLN B 135 -15.875 4.628 5.455 1.00 0.00 H new ATOM 0 HA GLN B 135 -13.240 5.708 5.788 1.00 0.00 H new ATOM 0 HB2 GLN B 135 -13.815 5.643 8.134 1.00 0.00 H new ATOM 0 HB3 GLN B 135 -15.265 6.104 7.265 1.00 0.00 H new ATOM 0 HG2 GLN B 135 -15.626 3.401 7.335 1.00 0.00 H new ATOM 0 HG3 GLN B 135 -14.671 3.600 8.791 1.00 0.00 H new ATOM 0 HE21 GLN B 135 -17.713 3.107 8.010 1.00 0.00 H new ATOM 0 HE22 GLN B 135 -18.549 4.152 9.162 1.00 0.00 H new ATOM 1394 N ASP B 136 -13.457 2.455 5.979 1.00 0.00 N ATOM 1395 CA ASP B 136 -12.662 1.217 6.067 1.00 0.00 C ATOM 1396 C ASP B 136 -11.628 1.148 4.930 1.00 0.00 C ATOM 1397 O ASP B 136 -10.438 0.930 5.166 1.00 0.00 O ATOM 1398 CB ASP B 136 -13.573 -0.030 6.034 1.00 0.00 C ATOM 1399 CG ASP B 136 -14.698 -0.049 7.084 1.00 0.00 C ATOM 1400 OD1 ASP B 136 -15.790 -0.585 6.766 1.00 0.00 O ATOM 1401 OD2 ASP B 136 -14.492 0.424 8.228 1.00 0.00 O1- ATOM 0 H ASP B 136 -14.415 2.298 5.667 1.00 0.00 H new ATOM 0 HA ASP B 136 -12.131 1.231 7.019 1.00 0.00 H new ATOM 0 HB2 ASP B 136 -14.021 -0.106 5.043 1.00 0.00 H new ATOM 0 HB3 ASP B 136 -12.954 -0.916 6.173 1.00 0.00 H new ATOM 1406 N ILE B 137 -12.074 1.402 3.694 1.00 0.00 N ATOM 1407 CA ILE B 137 -11.215 1.445 2.501 1.00 0.00 C ATOM 1408 C ILE B 137 -10.212 2.604 2.561 1.00 0.00 C ATOM 1409 O ILE B 137 -9.039 2.382 2.259 1.00 0.00 O ATOM 1410 CB ILE B 137 -12.060 1.437 1.205 1.00 0.00 C ATOM 1411 CG1 ILE B 137 -11.153 1.437 -0.052 1.00 0.00 C ATOM 1412 CG2 ILE B 137 -13.078 2.577 1.142 1.00 0.00 C ATOM 1413 CD1 ILE B 137 -11.909 1.221 -1.369 1.00 0.00 C ATOM 0 H ILE B 137 -13.056 1.586 3.490 1.00 0.00 H new ATOM 0 HA ILE B 137 -10.614 0.536 2.485 1.00 0.00 H new ATOM 0 HB ILE B 137 -12.635 0.511 1.223 1.00 0.00 H new ATOM 0 HG12 ILE B 137 -10.620 2.387 -0.103 1.00 0.00 H new ATOM 0 HG13 ILE B 137 -10.401 0.655 0.055 1.00 0.00 H new ATOM 0 HG21 ILE B 137 -13.637 2.514 0.209 1.00 0.00 H new ATOM 0 HG22 ILE B 137 -13.766 2.497 1.984 1.00 0.00 H new ATOM 0 HG23 ILE B 137 -12.557 3.533 1.189 1.00 0.00 H new ATOM 0 HD11 ILE B 137 -11.204 1.234 -2.200 1.00 0.00 H new ATOM 0 HD12 ILE B 137 -12.419 0.258 -1.342 1.00 0.00 H new ATOM 0 HD13 ILE B 137 -12.642 2.017 -1.502 1.00 0.00 H new ATOM 1425 N GLN B 138 -10.603 3.803 3.030 1.00 0.00 N ATOM 1426 CA GLN B 138 -9.658 4.914 3.226 1.00 0.00 C ATOM 1427 C GLN B 138 -8.532 4.535 4.199 1.00 0.00 C ATOM 1428 O GLN B 138 -7.361 4.702 3.863 1.00 0.00 O ATOM 1429 CB GLN B 138 -10.366 6.179 3.740 1.00 0.00 C ATOM 1430 CG GLN B 138 -10.951 7.064 2.628 1.00 0.00 C ATOM 1431 CD GLN B 138 -11.092 8.517 3.077 1.00 0.00 C ATOM 1432 OE1 GLN B 138 -12.179 9.011 3.356 1.00 0.00 O ATOM 1433 NE2 GLN B 138 -10.008 9.262 3.178 1.00 0.00 N ATOM 0 H GLN B 138 -11.567 4.026 3.280 1.00 0.00 H new ATOM 0 HA GLN B 138 -9.225 5.124 2.248 1.00 0.00 H new ATOM 0 HB2 GLN B 138 -11.169 5.884 4.416 1.00 0.00 H new ATOM 0 HB3 GLN B 138 -9.658 6.767 4.324 1.00 0.00 H new ATOM 0 HG2 GLN B 138 -10.309 7.016 1.749 1.00 0.00 H new ATOM 0 HG3 GLN B 138 -11.927 6.679 2.332 1.00 0.00 H new ATOM 0 HE21 GLN B 138 -9.095 8.868 2.950 1.00 0.00 H new ATOM 0 HE22 GLN B 138 -10.083 10.232 3.484 1.00 0.00 H new ATOM 1442 N GLN B 139 -8.855 3.991 5.379 1.00 0.00 N ATOM 1443 CA GLN B 139 -7.849 3.650 6.394 1.00 0.00 C ATOM 1444 C GLN B 139 -6.868 2.580 5.897 1.00 0.00 C ATOM 1445 O GLN B 139 -5.657 2.795 5.964 1.00 0.00 O ATOM 1446 CB GLN B 139 -8.524 3.216 7.706 1.00 0.00 C ATOM 1447 CG GLN B 139 -9.112 4.419 8.463 1.00 0.00 C ATOM 1448 CD GLN B 139 -9.940 3.976 9.662 1.00 0.00 C ATOM 1449 OE1 GLN B 139 -9.515 4.029 10.809 1.00 0.00 O ATOM 1450 NE2 GLN B 139 -11.152 3.505 9.443 1.00 0.00 N ATOM 0 H GLN B 139 -9.813 3.776 5.656 1.00 0.00 H new ATOM 0 HA GLN B 139 -7.266 4.550 6.589 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -9.316 2.499 7.489 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -7.797 2.706 8.339 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -8.304 5.069 8.798 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -9.734 5.006 7.787 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -11.516 3.456 8.491 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -11.726 3.189 10.225 1.00 0.00 H new ATOM 1459 N LEU B 140 -7.353 1.453 5.356 1.00 0.00 N ATOM 1460 CA LEU B 140 -6.492 0.358 4.873 1.00 0.00 C ATOM 1461 C LEU B 140 -5.616 0.782 3.680 1.00 0.00 C ATOM 1462 O LEU B 140 -4.419 0.478 3.644 1.00 0.00 O ATOM 1463 CB LEU B 140 -7.368 -0.851 4.499 1.00 0.00 C ATOM 1464 CG LEU B 140 -8.073 -1.530 5.682 1.00 0.00 C ATOM 1465 CD1 LEU B 140 -9.027 -2.616 5.174 1.00 0.00 C ATOM 1466 CD2 LEU B 140 -7.086 -2.191 6.653 1.00 0.00 C ATOM 0 H LEU B 140 -8.350 1.273 5.240 1.00 0.00 H new ATOM 0 HA LEU B 140 -5.810 0.086 5.679 1.00 0.00 H new ATOM 0 HB2 LEU B 140 -8.123 -0.526 3.783 1.00 0.00 H new ATOM 0 HB3 LEU B 140 -6.746 -1.589 3.993 1.00 0.00 H new ATOM 0 HG LEU B 140 -8.613 -0.745 6.210 1.00 0.00 H new ATOM 0 HD11 LEU B 140 -9.522 -3.091 6.021 1.00 0.00 H new ATOM 0 HD12 LEU B 140 -9.776 -2.166 4.522 1.00 0.00 H new ATOM 0 HD13 LEU B 140 -8.463 -3.364 4.617 1.00 0.00 H new ATOM 0 HD21 LEU B 140 -7.636 -2.656 7.471 1.00 0.00 H new ATOM 0 HD22 LEU B 140 -6.510 -2.951 6.125 1.00 0.00 H new ATOM 0 HD23 LEU B 140 -6.410 -1.436 7.054 1.00 0.00 H new ATOM 1478 N LEU B 141 -6.192 1.498 2.713 1.00 0.00 N ATOM 1479 CA LEU B 141 -5.507 1.884 1.481 1.00 0.00 C ATOM 1480 C LEU B 141 -4.517 3.040 1.704 1.00 0.00 C ATOM 1481 O LEU B 141 -3.473 3.080 1.056 1.00 0.00 O ATOM 1482 CB LEU B 141 -6.567 2.158 0.400 1.00 0.00 C ATOM 1483 CG LEU B 141 -6.034 2.164 -1.048 1.00 0.00 C ATOM 1484 CD1 LEU B 141 -5.484 0.793 -1.450 1.00 0.00 C ATOM 1485 CD2 LEU B 141 -7.176 2.500 -2.011 1.00 0.00 C ATOM 0 H LEU B 141 -7.156 1.829 2.765 1.00 0.00 H new ATOM 0 HA LEU B 141 -4.876 1.067 1.131 1.00 0.00 H new ATOM 0 HB2 LEU B 141 -7.350 1.404 0.480 1.00 0.00 H new ATOM 0 HB3 LEU B 141 -7.032 3.122 0.604 1.00 0.00 H new ATOM 0 HG LEU B 141 -5.236 2.905 -1.099 1.00 0.00 H new ATOM 0 HD11 LEU B 141 -5.117 0.835 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU B 141 -4.666 0.519 -0.783 1.00 0.00 H new ATOM 0 HD13 LEU B 141 -6.276 0.048 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU B 141 -6.800 2.504 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU B 141 -7.963 1.752 -1.917 1.00 0.00 H new ATOM 0 HD23 LEU B 141 -7.579 3.483 -1.768 1.00 0.00 H new ATOM 1497 N ALA B 142 -4.785 3.945 2.654 1.00 0.00 N ATOM 1498 CA ALA B 142 -3.822 4.963 3.092 1.00 0.00 C ATOM 1499 C ALA B 142 -2.641 4.351 3.871 1.00 0.00 C ATOM 1500 O ALA B 142 -1.490 4.731 3.651 1.00 0.00 O ATOM 1501 CB ALA B 142 -4.540 6.010 3.952 1.00 0.00 C ATOM 0 H ALA B 142 -5.679 3.992 3.142 1.00 0.00 H new ATOM 0 HA ALA B 142 -3.407 5.436 2.202 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -3.825 6.766 4.277 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -5.328 6.484 3.366 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -4.978 5.526 4.825 1.00 0.00 H new ATOM 1507 N LYS B 143 -2.904 3.391 4.763 1.00 0.00 N ATOM 1508 CA LYS B 143 -1.911 2.698 5.594 1.00 0.00 C ATOM 1509 C LYS B 143 -0.893 1.924 4.749 1.00 0.00 C ATOM 1510 O LYS B 143 0.314 2.071 4.947 1.00 0.00 O ATOM 1511 CB LYS B 143 -2.721 1.825 6.566 1.00 0.00 C ATOM 1512 CG LYS B 143 -1.889 1.045 7.574 1.00 0.00 C ATOM 1513 CD LYS B 143 -2.817 0.305 8.541 1.00 0.00 C ATOM 1514 CE LYS B 143 -2.020 -0.514 9.563 1.00 0.00 C ATOM 1515 NZ LYS B 143 -2.938 -1.173 10.526 1.00 0.00 N1+ ATOM 0 H LYS B 143 -3.854 3.061 4.934 1.00 0.00 H new ATOM 0 HA LYS B 143 -1.287 3.394 6.155 1.00 0.00 H new ATOM 0 HB2 LYS B 143 -3.419 2.463 7.109 1.00 0.00 H new ATOM 0 HB3 LYS B 143 -3.318 1.120 5.987 1.00 0.00 H new ATOM 0 HG2 LYS B 143 -1.244 0.334 7.057 1.00 0.00 H new ATOM 0 HG3 LYS B 143 -1.238 1.723 8.126 1.00 0.00 H new ATOM 0 HD2 LYS B 143 -3.450 1.023 9.062 1.00 0.00 H new ATOM 0 HD3 LYS B 143 -3.479 -0.355 7.980 1.00 0.00 H new ATOM 0 HE2 LYS B 143 -1.421 -1.266 9.049 1.00 0.00 H new ATOM 0 HE3 LYS B 143 -1.326 0.135 10.098 1.00 0.00 H new ATOM 0 HZ1 LYS B 143 -2.384 -1.724 11.212 1.00 0.00 H new ATOM 0 HZ2 LYS B 143 -3.491 -0.450 11.029 1.00 0.00 H new ATOM 0 HZ3 LYS B 143 -3.583 -1.807 10.013 1.00 0.00 H new ATOM 1529 N SER B 144 -1.354 1.164 3.754 1.00 0.00 N ATOM 1530 CA SER B 144 -0.496 0.453 2.796 1.00 0.00 C ATOM 1531 C SER B 144 0.265 1.400 1.853 1.00 0.00 C ATOM 1532 O SER B 144 1.460 1.197 1.639 1.00 0.00 O ATOM 1533 CB SER B 144 -1.317 -0.578 2.013 1.00 0.00 C ATOM 1534 OG SER B 144 -2.437 0.011 1.378 1.00 0.00 O ATOM 0 H SER B 144 -2.350 1.021 3.586 1.00 0.00 H new ATOM 0 HA SER B 144 0.267 -0.069 3.373 1.00 0.00 H new ATOM 0 HB2 SER B 144 -0.684 -1.053 1.264 1.00 0.00 H new ATOM 0 HB3 SER B 144 -1.655 -1.363 2.690 1.00 0.00 H new ATOM 0 HG SER B 144 -3.161 0.121 2.029 1.00 0.00 H new ATOM 1540 N LEU B 145 -0.360 2.480 1.377 1.00 0.00 N ATOM 1541 CA LEU B 145 0.303 3.523 0.584 1.00 0.00 C ATOM 1542 C LEU B 145 1.418 4.238 1.379 1.00 0.00 C ATOM 1543 O LEU B 145 2.513 4.459 0.856 1.00 0.00 O ATOM 1544 CB LEU B 145 -0.795 4.461 0.048 1.00 0.00 C ATOM 1545 CG LEU B 145 -0.415 5.725 -0.751 1.00 0.00 C ATOM 1546 CD1 LEU B 145 -0.113 6.929 0.147 1.00 0.00 C ATOM 1547 CD2 LEU B 145 0.737 5.511 -1.734 1.00 0.00 C ATOM 0 H LEU B 145 -1.352 2.658 1.532 1.00 0.00 H new ATOM 0 HA LEU B 145 0.834 3.089 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -1.450 3.863 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -1.388 4.785 0.903 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.308 5.945 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.148 7.788 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.993 7.166 0.745 1.00 0.00 H new ATOM 0 HD13 LEU B 145 0.721 6.690 0.807 1.00 0.00 H new ATOM 0 HD21 LEU B 145 0.946 6.444 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU B 145 1.626 5.194 -1.189 1.00 0.00 H new ATOM 0 HD23 LEU B 145 0.461 4.743 -2.456 1.00 0.00 H new ATOM 1559 N THR B 146 1.195 4.511 2.666 1.00 0.00 N ATOM 1560 CA THR B 146 2.212 5.094 3.554 1.00 0.00 C ATOM 1561 C THR B 146 3.407 4.151 3.731 1.00 0.00 C ATOM 1562 O THR B 146 4.555 4.602 3.714 1.00 0.00 O ATOM 1563 CB THR B 146 1.610 5.474 4.921 1.00 0.00 C ATOM 1564 OG1 THR B 146 0.551 6.395 4.755 1.00 0.00 O ATOM 1565 CG2 THR B 146 2.623 6.166 5.834 1.00 0.00 C ATOM 0 H THR B 146 0.302 4.335 3.127 1.00 0.00 H new ATOM 0 HA THR B 146 2.572 6.006 3.079 1.00 0.00 H new ATOM 0 HB THR B 146 1.278 4.536 5.366 1.00 0.00 H new ATOM 0 HG1 THR B 146 -0.225 5.935 4.373 1.00 0.00 H new ATOM 0 HG21 THR B 146 2.148 6.412 6.784 1.00 0.00 H new ATOM 0 HG22 THR B 146 3.467 5.499 6.012 1.00 0.00 H new ATOM 0 HG23 THR B 146 2.977 7.080 5.358 1.00 0.00 H new ATOM 1573 N GLU B 147 3.181 2.836 3.822 1.00 0.00 N ATOM 1574 CA GLU B 147 4.265 1.845 3.900 1.00 0.00 C ATOM 1575 C GLU B 147 5.101 1.754 2.608 1.00 0.00 C ATOM 1576 O GLU B 147 6.320 1.605 2.696 1.00 0.00 O ATOM 1577 CB GLU B 147 3.679 0.487 4.332 1.00 0.00 C ATOM 1578 CG GLU B 147 4.702 -0.647 4.542 1.00 0.00 C ATOM 1579 CD GLU B 147 5.626 -0.499 5.768 1.00 0.00 C ATOM 1580 OE1 GLU B 147 6.325 -1.487 6.097 1.00 0.00 O ATOM 1581 OE2 GLU B 147 5.641 0.577 6.414 1.00 0.00 O1- ATOM 0 H GLU B 147 2.246 2.428 3.844 1.00 0.00 H new ATOM 0 HA GLU B 147 4.977 2.175 4.656 1.00 0.00 H new ATOM 0 HB2 GLU B 147 3.127 0.630 5.261 1.00 0.00 H new ATOM 0 HB3 GLU B 147 2.959 0.167 3.579 1.00 0.00 H new ATOM 0 HG2 GLU B 147 4.160 -1.588 4.631 1.00 0.00 H new ATOM 0 HG3 GLU B 147 5.323 -0.720 3.649 1.00 0.00 H new ATOM 1588 N ILE B 148 4.507 1.945 1.414 1.00 0.00 N ATOM 1589 CA ILE B 148 5.283 2.113 0.167 1.00 0.00 C ATOM 1590 C ILE B 148 6.229 3.315 0.295 1.00 0.00 C ATOM 1591 O ILE B 148 7.434 3.177 0.085 1.00 0.00 O ATOM 1592 CB ILE B 148 4.390 2.293 -1.090 1.00 0.00 C ATOM 1593 CG1 ILE B 148 3.477 1.077 -1.349 1.00 0.00 C ATOM 1594 CG2 ILE B 148 5.253 2.581 -2.337 1.00 0.00 C ATOM 1595 CD1 ILE B 148 2.369 1.362 -2.379 1.00 0.00 C ATOM 0 H ILE B 148 3.496 1.987 1.285 1.00 0.00 H new ATOM 0 HA ILE B 148 5.850 1.192 0.030 1.00 0.00 H new ATOM 0 HB ILE B 148 3.744 3.148 -0.892 1.00 0.00 H new ATOM 0 HG12 ILE B 148 4.084 0.242 -1.699 1.00 0.00 H new ATOM 0 HG13 ILE B 148 3.020 0.767 -0.409 1.00 0.00 H new ATOM 0 HG21 ILE B 148 4.607 2.704 -3.206 1.00 0.00 H new ATOM 0 HG22 ILE B 148 5.827 3.494 -2.179 1.00 0.00 H new ATOM 0 HG23 ILE B 148 5.936 1.749 -2.507 1.00 0.00 H new ATOM 0 HD11 ILE B 148 1.761 0.468 -2.517 1.00 0.00 H new ATOM 0 HD12 ILE B 148 1.740 2.176 -2.020 1.00 0.00 H new ATOM 0 HD13 ILE B 148 2.820 1.644 -3.330 1.00 0.00 H new ATOM 1607 N LYS B 149 5.695 4.487 0.677 1.00 0.00 N ATOM 1608 CA LYS B 149 6.470 5.733 0.817 1.00 0.00 C ATOM 1609 C LYS B 149 7.619 5.582 1.820 1.00 0.00 C ATOM 1610 O LYS B 149 8.738 6.003 1.518 1.00 0.00 O ATOM 1611 CB LYS B 149 5.533 6.895 1.202 1.00 0.00 C ATOM 1612 CG LYS B 149 4.609 7.318 0.042 1.00 0.00 C ATOM 1613 CD LYS B 149 3.577 8.357 0.507 1.00 0.00 C ATOM 1614 CE LYS B 149 2.658 8.826 -0.629 1.00 0.00 C ATOM 1615 NZ LYS B 149 3.330 9.786 -1.545 1.00 0.00 N1+ ATOM 0 H LYS B 149 4.706 4.598 0.899 1.00 0.00 H new ATOM 0 HA LYS B 149 6.927 5.959 -0.146 1.00 0.00 H new ATOM 0 HB2 LYS B 149 4.925 6.599 2.057 1.00 0.00 H new ATOM 0 HB3 LYS B 149 6.131 7.750 1.517 1.00 0.00 H new ATOM 0 HG2 LYS B 149 5.206 7.733 -0.770 1.00 0.00 H new ATOM 0 HG3 LYS B 149 4.095 6.443 -0.355 1.00 0.00 H new ATOM 0 HD2 LYS B 149 2.971 7.930 1.306 1.00 0.00 H new ATOM 0 HD3 LYS B 149 4.097 9.218 0.927 1.00 0.00 H new ATOM 0 HE2 LYS B 149 2.320 7.961 -1.199 1.00 0.00 H new ATOM 0 HE3 LYS B 149 1.770 9.295 -0.204 1.00 0.00 H new ATOM 0 HZ1 LYS B 149 2.612 10.336 -2.059 1.00 0.00 H new ATOM 0 HZ2 LYS B 149 3.930 10.431 -0.992 1.00 0.00 H new ATOM 0 HZ3 LYS B 149 3.918 9.263 -2.225 1.00 0.00 H new ATOM 1629 N ARG B 150 7.389 4.926 2.967 1.00 0.00 N ATOM 1630 CA ARG B 150 8.437 4.622 3.965 1.00 0.00 C ATOM 1631 C ARG B 150 9.553 3.731 3.402 1.00 0.00 C ATOM 1632 O ARG B 150 10.728 4.045 3.583 1.00 0.00 O ATOM 1633 CB ARG B 150 7.830 3.982 5.229 1.00 0.00 C ATOM 1634 CG ARG B 150 7.054 4.993 6.092 1.00 0.00 C ATOM 1635 CD ARG B 150 6.651 4.411 7.456 1.00 0.00 C ATOM 1636 NE ARG B 150 5.675 3.303 7.353 1.00 0.00 N ATOM 1637 CZ ARG B 150 4.461 3.230 7.870 1.00 0.00 C ATOM 1638 NH1 ARG B 150 3.903 4.211 8.516 1.00 0.00 N1+ ATOM 1639 NH2 ARG B 150 3.785 2.133 7.732 1.00 0.00 N ATOM 0 H ARG B 150 6.465 4.587 3.234 1.00 0.00 H new ATOM 0 HA ARG B 150 8.891 5.576 4.233 1.00 0.00 H new ATOM 0 HB2 ARG B 150 7.162 3.172 4.936 1.00 0.00 H new ATOM 0 HB3 ARG B 150 8.627 3.538 5.825 1.00 0.00 H new ATOM 0 HG2 ARG B 150 7.667 5.881 6.246 1.00 0.00 H new ATOM 0 HG3 ARG B 150 6.159 5.312 5.557 1.00 0.00 H new ATOM 0 HD2 ARG B 150 7.544 4.053 7.969 1.00 0.00 H new ATOM 0 HD3 ARG B 150 6.226 5.204 8.071 1.00 0.00 H new ATOM 0 HE ARG B 150 5.978 2.492 6.814 1.00 0.00 H new ATOM 0 HH11 ARG B 150 4.406 5.089 8.643 1.00 0.00 H new ATOM 0 HH12 ARG B 150 2.962 4.102 8.895 1.00 0.00 H new ATOM 0 HH21 ARG B 150 4.191 1.343 7.231 1.00 0.00 H new ATOM 0 HH22 ARG B 150 2.847 2.059 8.125 1.00 0.00 H new ATOM 1653 N LEU B 151 9.215 2.647 2.691 1.00 0.00 N ATOM 1654 CA LEU B 151 10.204 1.713 2.142 1.00 0.00 C ATOM 1655 C LEU B 151 11.004 2.306 0.968 1.00 0.00 C ATOM 1656 O LEU B 151 12.218 2.091 0.892 1.00 0.00 O ATOM 1657 CB LEU B 151 9.507 0.393 1.744 1.00 0.00 C ATOM 1658 CG LEU B 151 9.512 -0.701 2.831 1.00 0.00 C ATOM 1659 CD1 LEU B 151 10.925 -1.256 3.059 1.00 0.00 C ATOM 1660 CD2 LEU B 151 8.961 -0.229 4.174 1.00 0.00 C ATOM 0 H LEU B 151 8.249 2.394 2.481 1.00 0.00 H new ATOM 0 HA LEU B 151 10.937 1.510 2.923 1.00 0.00 H new ATOM 0 HB2 LEU B 151 8.474 0.612 1.475 1.00 0.00 H new ATOM 0 HB3 LEU B 151 9.992 -0.001 0.851 1.00 0.00 H new ATOM 0 HG LEU B 151 8.853 -1.480 2.448 1.00 0.00 H new ATOM 0 HD11 LEU B 151 10.894 -2.025 3.831 1.00 0.00 H new ATOM 0 HD12 LEU B 151 11.300 -1.688 2.131 1.00 0.00 H new ATOM 0 HD13 LEU B 151 11.586 -0.449 3.377 1.00 0.00 H new ATOM 0 HD21 LEU B 151 8.995 -1.050 4.890 1.00 0.00 H new ATOM 0 HD22 LEU B 151 9.564 0.600 4.544 1.00 0.00 H new ATOM 0 HD23 LEU B 151 7.930 0.101 4.049 1.00 0.00 H new ATOM 1672 N LYS B 152 10.359 3.088 0.089 1.00 0.00 N ATOM 1673 CA LYS B 152 11.042 3.825 -0.995 1.00 0.00 C ATOM 1674 C LYS B 152 12.025 4.855 -0.439 1.00 0.00 C ATOM 1675 O LYS B 152 13.162 4.933 -0.905 1.00 0.00 O ATOM 1676 CB LYS B 152 10.000 4.477 -1.930 1.00 0.00 C ATOM 1677 CG LYS B 152 9.225 3.432 -2.755 1.00 0.00 C ATOM 1678 CD LYS B 152 8.198 4.062 -3.715 1.00 0.00 C ATOM 1679 CE LYS B 152 8.897 4.738 -4.895 1.00 0.00 C ATOM 1680 NZ LYS B 152 7.924 5.352 -5.832 1.00 0.00 N1+ ATOM 0 H LYS B 152 9.349 3.230 0.106 1.00 0.00 H new ATOM 0 HA LYS B 152 11.628 3.116 -1.579 1.00 0.00 H new ATOM 0 HB2 LYS B 152 9.298 5.063 -1.337 1.00 0.00 H new ATOM 0 HB3 LYS B 152 10.503 5.170 -2.605 1.00 0.00 H new ATOM 0 HG2 LYS B 152 9.932 2.834 -3.330 1.00 0.00 H new ATOM 0 HG3 LYS B 152 8.710 2.751 -2.077 1.00 0.00 H new ATOM 0 HD2 LYS B 152 7.518 3.293 -4.082 1.00 0.00 H new ATOM 0 HD3 LYS B 152 7.593 4.793 -3.178 1.00 0.00 H new ATOM 0 HE2 LYS B 152 9.578 5.504 -4.524 1.00 0.00 H new ATOM 0 HE3 LYS B 152 9.502 4.005 -5.428 1.00 0.00 H new ATOM 0 HZ1 LYS B 152 8.436 5.844 -6.592 1.00 0.00 H new ATOM 0 HZ2 LYS B 152 7.323 4.610 -6.244 1.00 0.00 H new ATOM 0 HZ3 LYS B 152 7.329 6.033 -5.318 1.00 0.00 H new ATOM 1694 N ALA B 153 11.628 5.596 0.598 1.00 0.00 N ATOM 1695 CA ALA B 153 12.495 6.541 1.302 1.00 0.00 C ATOM 1696 C ALA B 153 13.668 5.858 2.029 1.00 0.00 C ATOM 1697 O ALA B 153 14.791 6.353 1.968 1.00 0.00 O ATOM 1698 CB ALA B 153 11.643 7.366 2.269 1.00 0.00 C ATOM 0 H ALA B 153 10.682 5.555 0.977 1.00 0.00 H new ATOM 0 HA ALA B 153 12.956 7.195 0.562 1.00 0.00 H new ATOM 0 HB1 ALA B 153 12.279 8.075 2.800 1.00 0.00 H new ATOM 0 HB2 ALA B 153 10.882 7.910 1.710 1.00 0.00 H new ATOM 0 HB3 ALA B 153 11.161 6.702 2.987 1.00 0.00 H new ATOM 1704 N ALA B 154 13.448 4.702 2.667 1.00 0.00 N ATOM 1705 CA ALA B 154 14.493 3.937 3.355 1.00 0.00 C ATOM 1706 C ALA B 154 15.554 3.379 2.386 1.00 0.00 C ATOM 1707 O ALA B 154 16.755 3.490 2.653 1.00 0.00 O ATOM 1708 CB ALA B 154 13.828 2.814 4.158 1.00 0.00 C ATOM 0 H ALA B 154 12.527 4.267 2.720 1.00 0.00 H new ATOM 0 HA ALA B 154 15.029 4.608 4.026 1.00 0.00 H new ATOM 0 HB1 ALA B 154 14.593 2.235 4.676 1.00 0.00 H new ATOM 0 HB2 ALA B 154 13.143 3.245 4.888 1.00 0.00 H new ATOM 0 HB3 ALA B 154 13.275 2.162 3.482 1.00 0.00 H new ATOM 1714 N ASN B 155 15.129 2.838 1.234 1.00 0.00 N ATOM 1715 CA ASN B 155 16.025 2.353 0.174 1.00 0.00 C ATOM 1716 C ASN B 155 16.872 3.506 -0.424 1.00 0.00 C ATOM 1717 O ASN B 155 18.084 3.376 -0.610 1.00 0.00 O ATOM 1718 CB ASN B 155 15.154 1.622 -0.872 1.00 0.00 C ATOM 1719 CG ASN B 155 15.949 0.678 -1.768 1.00 0.00 C ATOM 1720 OD1 ASN B 155 17.055 0.960 -2.205 1.00 0.00 O ATOM 1721 ND2 ASN B 155 15.413 -0.483 -2.074 1.00 0.00 N ATOM 0 H ASN B 155 14.140 2.724 1.010 1.00 0.00 H new ATOM 0 HA ASN B 155 16.758 1.652 0.573 1.00 0.00 H new ATOM 0 HB2 ASN B 155 14.379 1.055 -0.356 1.00 0.00 H new ATOM 0 HB3 ASN B 155 14.648 2.361 -1.493 1.00 0.00 H new ATOM 0 HD21 ASN B 155 15.920 -1.137 -2.670 1.00 0.00 H new ATOM 0 HD22 ASN B 155 14.491 -0.729 -1.715 1.00 0.00 H new ATOM 1728 N GLN B 156 16.266 4.681 -0.621 1.00 0.00 N ATOM 1729 CA GLN B 156 16.974 5.900 -1.060 1.00 0.00 C ATOM 1730 C GLN B 156 17.970 6.431 -0.007 1.00 0.00 C ATOM 1731 O GLN B 156 19.086 6.819 -0.349 1.00 0.00 O ATOM 1732 CB GLN B 156 15.939 6.959 -1.455 1.00 0.00 C ATOM 1733 CG GLN B 156 16.582 8.246 -1.998 1.00 0.00 C ATOM 1734 CD GLN B 156 15.557 9.205 -2.597 1.00 0.00 C ATOM 1735 OE1 GLN B 156 15.513 9.465 -3.794 1.00 0.00 O ATOM 1736 NE2 GLN B 156 14.675 9.769 -1.793 1.00 0.00 N ATOM 0 H GLN B 156 15.265 4.820 -0.481 1.00 0.00 H new ATOM 0 HA GLN B 156 17.586 5.649 -1.926 1.00 0.00 H new ATOM 0 HB2 GLN B 156 15.272 6.545 -2.211 1.00 0.00 H new ATOM 0 HB3 GLN B 156 15.326 7.203 -0.588 1.00 0.00 H new ATOM 0 HG2 GLN B 156 17.117 8.749 -1.192 1.00 0.00 H new ATOM 0 HG3 GLN B 156 17.320 7.987 -2.758 1.00 0.00 H new ATOM 0 HE21 GLN B 156 14.693 9.567 -0.793 1.00 0.00 H new ATOM 0 HE22 GLN B 156 13.975 10.407 -2.171 1.00 0.00 H new