USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 820 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 168 SER OG : rot 180:sc= 0.0197 USER MOD Set 1.2: B 170 ASN :FLIP amide:sc= -0.0598 F(o=-0.9,f=-0.04) USER MOD Set 2.1: A 73 MET CE :methyl -116:sc= 0 (180deg=-0.143) USER MOD Set 2.2: B 165 SER OG : rot 132:sc= 1.08 USER MOD Set 3.1: A 68 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 70 ASN :FLIP amide:sc= -0.286 F(o=-2!,f=-0.29) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 173:sc= 1.19 (180deg=1.07) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 81:sc= 0.874 USER MOD Single : A 65 SER OG : rot -36:sc= 0.0147 USER MOD Single : A 69 LYS NZ :NH3+ 153:sc= 2.03 (180deg=1) USER MOD Single : A 71 GLN : amide:sc= 0.92 K(o=0.92,f=-4.1!) USER MOD Single : A 78 LYS NZ :NH3+ 158:sc= 1.25 (180deg=1.2) USER MOD Single : A 80 LYS NZ :NH3+ -130:sc= 0.487 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.426 K(o=-0.43,f=-1.5) USER MOD Single : B 113 SER OG : rot 180:sc= 0 USER MOD Single : B 119 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.00032) USER MOD Single : B 129 LYS NZ :NH3+ -154:sc= 2.33 (180deg=0.977) USER MOD Single : B 157 LYS NZ :NH3+ 172:sc= 1.09 (180deg=1.01) USER MOD Single : B 160 TYR OH : rot 174:sc= 0 USER MOD Single : B 162 SER OG : rot 78:sc= 0.955 USER MOD Single : B 169 LYS NZ :NH3+ -157:sc= 0.233 (180deg=0.0597) USER MOD Single : B 171 GLN : amide:sc= 1.23 K(o=1.2,f=-5.6!) USER MOD Single : B 173 MET CE :methyl -175:sc= -0.322 (180deg=-0.391) USER MOD Single : B 178 LYS NZ :NH3+ 169:sc= 1.28 (180deg=0.964) USER MOD Single : B 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 181 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 182 GLN : amide:sc= 0.155 K(o=0.15,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 132 N GLU A 11 -7.846 -7.483 7.838 1.00 0.00 N ATOM 133 CA GLU A 11 -7.728 -6.439 6.810 1.00 0.00 C ATOM 134 C GLU A 11 -7.390 -6.978 5.412 1.00 0.00 C ATOM 135 O GLU A 11 -8.069 -6.633 4.444 1.00 0.00 O ATOM 136 CB GLU A 11 -6.675 -5.386 7.219 1.00 0.00 C ATOM 137 CG GLU A 11 -6.938 -4.644 8.540 1.00 0.00 C ATOM 138 CD GLU A 11 -6.273 -5.305 9.762 1.00 0.00 C ATOM 139 OE1 GLU A 11 -6.679 -6.426 10.152 1.00 0.00 O ATOM 140 OE2 GLU A 11 -5.346 -4.702 10.352 1.00 0.00 O1- ATOM 0 HA GLU A 11 -8.716 -5.983 6.745 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.706 -5.880 7.290 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.599 -4.648 6.420 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.576 -3.620 8.450 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.014 -4.589 8.708 1.00 0.00 H new ATOM 147 N LEU A 12 -6.387 -7.856 5.297 1.00 0.00 N ATOM 148 CA LEU A 12 -5.966 -8.433 4.015 1.00 0.00 C ATOM 149 C LEU A 12 -7.081 -9.300 3.405 1.00 0.00 C ATOM 150 O LEU A 12 -7.433 -9.126 2.238 1.00 0.00 O ATOM 151 CB LEU A 12 -4.680 -9.270 4.208 1.00 0.00 C ATOM 152 CG LEU A 12 -3.353 -8.516 4.440 1.00 0.00 C ATOM 153 CD1 LEU A 12 -2.992 -7.600 3.274 1.00 0.00 C ATOM 154 CD2 LEU A 12 -3.316 -7.700 5.736 1.00 0.00 C ATOM 0 H LEU A 12 -5.843 -8.188 6.093 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.759 -7.616 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.839 -9.935 5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.556 -9.900 3.327 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.613 -9.312 4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.051 -7.093 3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.887 -8.192 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.780 -6.859 3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.351 -7.201 5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.110 -6.954 5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.461 -8.364 6.588 1.00 0.00 H new ATOM 166 N SER A 13 -7.682 -10.183 4.210 1.00 0.00 N ATOM 167 CA SER A 13 -8.771 -11.080 3.789 1.00 0.00 C ATOM 168 C SER A 13 -10.037 -10.320 3.376 1.00 0.00 C ATOM 169 O SER A 13 -10.704 -10.709 2.418 1.00 0.00 O ATOM 170 CB SER A 13 -9.113 -12.053 4.920 1.00 0.00 C ATOM 171 OG SER A 13 -7.955 -12.775 5.330 1.00 0.00 O ATOM 0 H SER A 13 -7.423 -10.299 5.190 1.00 0.00 H new ATOM 0 HA SER A 13 -8.413 -11.623 2.914 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.524 -11.504 5.767 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.883 -12.749 4.587 1.00 0.00 H new ATOM 0 HG SER A 13 -8.193 -13.391 6.055 1.00 0.00 H new ATOM 177 N GLU A 14 -10.352 -9.207 4.045 1.00 0.00 N ATOM 178 CA GLU A 14 -11.479 -8.334 3.698 1.00 0.00 C ATOM 179 C GLU A 14 -11.243 -7.607 2.363 1.00 0.00 C ATOM 180 O GLU A 14 -12.099 -7.655 1.482 1.00 0.00 O ATOM 181 CB GLU A 14 -11.747 -7.358 4.857 1.00 0.00 C ATOM 182 CG GLU A 14 -12.959 -6.460 4.587 1.00 0.00 C ATOM 183 CD GLU A 14 -13.410 -5.727 5.862 1.00 0.00 C ATOM 184 OE1 GLU A 14 -14.342 -6.214 6.550 1.00 0.00 O ATOM 185 OE2 GLU A 14 -12.851 -4.644 6.166 1.00 0.00 O1- ATOM 0 H GLU A 14 -9.824 -8.882 4.855 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.370 -8.944 3.553 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.912 -7.923 5.775 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.866 -6.737 5.019 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.709 -5.731 3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.782 -7.063 4.202 1.00 0.00 H new ATOM 192 N ILE A 15 -10.068 -6.983 2.172 1.00 0.00 N ATOM 193 CA ILE A 15 -9.685 -6.277 0.938 1.00 0.00 C ATOM 194 C ILE A 15 -9.555 -7.226 -0.270 1.00 0.00 C ATOM 195 O ILE A 15 -9.875 -6.837 -1.396 1.00 0.00 O ATOM 196 CB ILE A 15 -8.392 -5.464 1.190 1.00 0.00 C ATOM 197 CG1 ILE A 15 -8.614 -4.290 2.176 1.00 0.00 C ATOM 198 CG2 ILE A 15 -7.761 -4.922 -0.104 1.00 0.00 C ATOM 199 CD1 ILE A 15 -9.701 -3.287 1.786 1.00 0.00 C ATOM 0 H ILE A 15 -9.342 -6.955 2.888 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.485 -5.585 0.674 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.699 -6.177 1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.862 -4.704 3.153 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.673 -3.752 2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.858 -4.361 0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.506 -5.754 -0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.471 -4.266 -0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -9.769 -2.510 2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.451 -2.834 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.659 -3.801 1.706 1.00 0.00 H new ATOM 211 N GLU A 16 -9.143 -8.479 -0.056 1.00 0.00 N ATOM 212 CA GLU A 16 -9.165 -9.532 -1.086 1.00 0.00 C ATOM 213 C GLU A 16 -10.592 -9.988 -1.459 1.00 0.00 C ATOM 214 O GLU A 16 -10.828 -10.398 -2.598 1.00 0.00 O ATOM 215 CB GLU A 16 -8.367 -10.761 -0.592 1.00 0.00 C ATOM 216 CG GLU A 16 -6.845 -10.556 -0.627 1.00 0.00 C ATOM 217 CD GLU A 16 -6.063 -11.669 0.108 1.00 0.00 C ATOM 218 OE1 GLU A 16 -6.532 -12.837 0.149 1.00 0.00 O ATOM 219 OE2 GLU A 16 -4.949 -11.403 0.623 1.00 0.00 O1- ATOM 0 H GLU A 16 -8.781 -8.798 0.843 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.713 -9.101 -1.979 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.671 -10.996 0.428 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.624 -11.623 -1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.514 -10.513 -1.665 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.604 -9.593 -0.176 1.00 0.00 H new ATOM 226 N GLY A 17 -11.546 -9.927 -0.520 1.00 0.00 N ATOM 227 CA GLY A 17 -12.915 -10.437 -0.690 1.00 0.00 C ATOM 228 C GLY A 17 -13.923 -9.454 -1.303 1.00 0.00 C ATOM 229 O GLY A 17 -14.850 -9.885 -1.998 1.00 0.00 O ATOM 0 H GLY A 17 -11.385 -9.513 0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -12.876 -11.327 -1.318 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.289 -10.751 0.284 1.00 0.00 H new ATOM 233 N LEU A 18 -13.761 -8.149 -1.061 1.00 0.00 N ATOM 234 CA LEU A 18 -14.658 -7.083 -1.552 1.00 0.00 C ATOM 235 C LEU A 18 -14.471 -6.732 -3.050 1.00 0.00 C ATOM 236 O LEU A 18 -13.623 -7.311 -3.734 1.00 0.00 O ATOM 237 CB LEU A 18 -14.566 -5.871 -0.600 1.00 0.00 C ATOM 238 CG LEU A 18 -13.209 -5.160 -0.464 1.00 0.00 C ATOM 239 CD1 LEU A 18 -12.747 -4.416 -1.715 1.00 0.00 C ATOM 240 CD2 LEU A 18 -13.318 -4.139 0.671 1.00 0.00 C ATOM 0 H LEU A 18 -12.985 -7.790 -0.505 1.00 0.00 H new ATOM 0 HA LEU A 18 -15.681 -7.459 -1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.298 -5.133 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -14.870 -6.203 0.393 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.473 -5.942 -0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.782 -3.947 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.651 -5.119 -2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.478 -3.650 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.366 -3.621 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -14.099 -3.416 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.567 -4.652 1.600 1.00 0.00 H new ATOM 252 N GLN A 19 -15.272 -5.782 -3.551 1.00 0.00 N ATOM 253 CA GLN A 19 -15.249 -5.278 -4.940 1.00 0.00 C ATOM 254 C GLN A 19 -15.007 -3.756 -5.017 1.00 0.00 C ATOM 255 O GLN A 19 -15.082 -3.047 -4.011 1.00 0.00 O ATOM 256 CB GLN A 19 -16.534 -5.715 -5.663 1.00 0.00 C ATOM 257 CG GLN A 19 -17.827 -5.024 -5.174 1.00 0.00 C ATOM 258 CD GLN A 19 -18.980 -6.004 -4.977 1.00 0.00 C ATOM 259 OE1 GLN A 19 -19.939 -6.044 -5.740 1.00 0.00 O ATOM 260 NE2 GLN A 19 -18.914 -6.853 -3.971 1.00 0.00 N ATOM 0 H GLN A 19 -15.983 -5.323 -2.982 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.397 -5.721 -5.455 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -16.417 -5.520 -6.729 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -16.650 -6.793 -5.547 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -17.627 -4.511 -4.233 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -18.122 -4.262 -5.896 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -18.119 -6.826 -3.332 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -19.658 -7.537 -3.831 1.00 0.00 H new ATOM 269 N ASP A 20 -14.727 -3.232 -6.218 1.00 0.00 N ATOM 270 CA ASP A 20 -14.223 -1.864 -6.441 1.00 0.00 C ATOM 271 C ASP A 20 -15.140 -0.748 -5.908 1.00 0.00 C ATOM 272 O ASP A 20 -14.666 0.321 -5.516 1.00 0.00 O ATOM 273 CB ASP A 20 -13.944 -1.610 -7.935 1.00 0.00 C ATOM 274 CG ASP A 20 -12.996 -2.587 -8.663 1.00 0.00 C ATOM 275 OD1 ASP A 20 -12.599 -3.645 -8.114 1.00 0.00 O ATOM 276 OD2 ASP A 20 -12.633 -2.284 -9.826 1.00 0.00 O1- ATOM 0 H ASP A 20 -14.846 -3.758 -7.084 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.299 -1.818 -5.864 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.899 -1.615 -8.460 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -13.531 -0.606 -8.033 1.00 0.00 H new ATOM 281 N ASP A 21 -16.456 -0.986 -5.850 1.00 0.00 N ATOM 282 CA ASP A 21 -17.427 -0.051 -5.268 1.00 0.00 C ATOM 283 C ASP A 21 -17.211 0.168 -3.754 1.00 0.00 C ATOM 284 O ASP A 21 -17.435 1.266 -3.240 1.00 0.00 O ATOM 285 CB ASP A 21 -18.856 -0.564 -5.511 1.00 0.00 C ATOM 286 CG ASP A 21 -19.276 -0.670 -6.991 1.00 0.00 C ATOM 287 OD1 ASP A 21 -18.667 -0.015 -7.873 1.00 0.00 O ATOM 288 OD2 ASP A 21 -20.260 -1.398 -7.278 1.00 0.00 O1- ATOM 0 H ASP A 21 -16.881 -1.841 -6.209 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.278 0.910 -5.761 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -18.954 -1.547 -5.051 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -19.554 0.098 -4.999 1.00 0.00 H new ATOM 293 N ASP A 22 -16.724 -0.851 -3.036 1.00 0.00 N ATOM 294 CA ASP A 22 -16.397 -0.780 -1.605 1.00 0.00 C ATOM 295 C ASP A 22 -15.031 -0.111 -1.348 1.00 0.00 C ATOM 296 O ASP A 22 -14.833 0.488 -0.290 1.00 0.00 O ATOM 297 CB ASP A 22 -16.431 -2.190 -0.986 1.00 0.00 C ATOM 298 CG ASP A 22 -17.753 -2.942 -1.233 1.00 0.00 C ATOM 299 OD1 ASP A 22 -17.703 -4.152 -1.557 1.00 0.00 O ATOM 300 OD2 ASP A 22 -18.842 -2.342 -1.063 1.00 0.00 O1- ATOM 0 H ASP A 22 -16.542 -1.769 -3.442 1.00 0.00 H new ATOM 0 HA ASP A 22 -17.152 -0.156 -1.128 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -15.608 -2.776 -1.394 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.264 -2.110 0.088 1.00 0.00 H new ATOM 305 N LEU A 23 -14.105 -0.157 -2.318 1.00 0.00 N ATOM 306 CA LEU A 23 -12.877 0.648 -2.311 1.00 0.00 C ATOM 307 C LEU A 23 -13.217 2.129 -2.526 1.00 0.00 C ATOM 308 O LEU A 23 -12.826 2.979 -1.728 1.00 0.00 O ATOM 309 CB LEU A 23 -11.875 0.146 -3.378 1.00 0.00 C ATOM 310 CG LEU A 23 -11.395 -1.306 -3.200 1.00 0.00 C ATOM 311 CD1 LEU A 23 -10.545 -1.744 -4.391 1.00 0.00 C ATOM 312 CD2 LEU A 23 -10.524 -1.453 -1.953 1.00 0.00 C ATOM 0 H LEU A 23 -14.190 -0.760 -3.136 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.398 0.540 -1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.338 0.240 -4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.005 0.802 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.290 -1.922 -3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.216 -2.773 -4.245 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.137 -1.679 -5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.674 -1.094 -4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.201 -2.489 -1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.650 -0.807 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.099 -1.167 -1.072 1.00 0.00 H new ATOM 324 N ALA A 24 -14.018 2.446 -3.547 1.00 0.00 N ATOM 325 CA ALA A 24 -14.466 3.810 -3.846 1.00 0.00 C ATOM 326 C ALA A 24 -15.235 4.472 -2.684 1.00 0.00 C ATOM 327 O ALA A 24 -15.142 5.687 -2.504 1.00 0.00 O ATOM 328 CB ALA A 24 -15.312 3.760 -5.127 1.00 0.00 C ATOM 0 H ALA A 24 -14.380 1.751 -4.200 1.00 0.00 H new ATOM 0 HA ALA A 24 -13.588 4.440 -3.991 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.659 4.763 -5.373 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.707 3.374 -5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -16.171 3.107 -4.971 1.00 0.00 H new ATOM 334 N ALA A 25 -15.932 3.687 -1.857 1.00 0.00 N ATOM 335 CA ALA A 25 -16.650 4.168 -0.674 1.00 0.00 C ATOM 336 C ALA A 25 -15.745 4.728 0.451 1.00 0.00 C ATOM 337 O ALA A 25 -16.250 5.462 1.307 1.00 0.00 O ATOM 338 CB ALA A 25 -17.526 3.019 -0.155 1.00 0.00 C ATOM 0 H ALA A 25 -16.014 2.680 -1.994 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.252 5.023 -0.981 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -18.074 3.349 0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -18.232 2.721 -0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -16.895 2.170 0.106 1.00 0.00 H new ATOM 344 N LEU A 26 -14.436 4.416 0.465 1.00 0.00 N ATOM 345 CA LEU A 26 -13.468 4.936 1.454 1.00 0.00 C ATOM 346 C LEU A 26 -12.287 5.714 0.831 1.00 0.00 C ATOM 347 O LEU A 26 -11.739 6.605 1.478 1.00 0.00 O ATOM 348 CB LEU A 26 -13.050 3.805 2.418 1.00 0.00 C ATOM 349 CG LEU A 26 -11.988 2.819 1.883 1.00 0.00 C ATOM 350 CD1 LEU A 26 -10.588 3.182 2.396 1.00 0.00 C ATOM 351 CD2 LEU A 26 -12.280 1.396 2.350 1.00 0.00 C ATOM 0 H LEU A 26 -14.013 3.788 -0.218 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.970 5.703 2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.669 4.257 3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.940 3.238 2.689 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.025 2.883 0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.861 2.471 2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.328 4.187 2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.579 3.146 3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.518 0.721 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.272 1.362 3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -13.259 1.087 1.985 1.00 0.00 H new ATOM 363 N LEU A 27 -11.920 5.429 -0.424 1.00 0.00 N ATOM 364 CA LEU A 27 -10.955 6.222 -1.206 1.00 0.00 C ATOM 365 C LEU A 27 -11.543 7.575 -1.658 1.00 0.00 C ATOM 366 O LEU A 27 -10.834 8.580 -1.679 1.00 0.00 O ATOM 367 CB LEU A 27 -10.498 5.405 -2.431 1.00 0.00 C ATOM 368 CG LEU A 27 -9.274 4.501 -2.199 1.00 0.00 C ATOM 369 CD1 LEU A 27 -9.396 3.517 -1.039 1.00 0.00 C ATOM 370 CD2 LEU A 27 -8.988 3.688 -3.459 1.00 0.00 C ATOM 0 H LEU A 27 -12.290 4.628 -0.936 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.102 6.442 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.330 4.784 -2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.271 6.095 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.469 5.191 -1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.481 2.929 -0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.553 4.066 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.241 2.851 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.121 3.049 -3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.853 3.070 -3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.785 4.364 -4.290 1.00 0.00 H new ATOM 382 N GLY A 28 -12.833 7.612 -1.999 1.00 0.00 N ATOM 383 CA GLY A 28 -13.572 8.833 -2.342 1.00 0.00 C ATOM 384 C GLY A 28 -12.967 9.595 -3.529 1.00 0.00 C ATOM 385 O GLY A 28 -12.669 9.009 -4.573 1.00 0.00 O ATOM 0 H GLY A 28 -13.410 6.772 -2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.604 8.571 -2.575 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -13.598 9.490 -1.473 1.00 0.00 H new ATOM 389 N LYS A 29 -12.741 10.905 -3.361 1.00 0.00 N ATOM 390 CA LYS A 29 -12.084 11.788 -4.347 1.00 0.00 C ATOM 391 C LYS A 29 -10.664 11.324 -4.698 1.00 0.00 C ATOM 392 O LYS A 29 -10.249 11.416 -5.853 1.00 0.00 O ATOM 393 CB LYS A 29 -12.057 13.202 -3.749 1.00 0.00 C ATOM 394 CG LYS A 29 -11.533 14.268 -4.724 1.00 0.00 C ATOM 395 CD LYS A 29 -11.318 15.575 -3.957 1.00 0.00 C ATOM 396 CE LYS A 29 -10.841 16.688 -4.897 1.00 0.00 C ATOM 397 NZ LYS A 29 -10.629 17.962 -4.169 1.00 0.00 N1+ ATOM 0 H LYS A 29 -13.017 11.399 -2.512 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.646 11.764 -5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.064 13.474 -3.432 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.432 13.199 -2.856 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.598 13.938 -5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.245 14.419 -5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.248 15.875 -3.474 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.583 15.421 -3.167 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.912 16.385 -5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.576 16.838 -5.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.307 18.693 -4.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.522 18.263 -3.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.909 17.825 -3.431 1.00 0.00 H new ATOM 411 N GLU A 30 -9.935 10.783 -3.725 1.00 0.00 N ATOM 412 CA GLU A 30 -8.567 10.263 -3.884 1.00 0.00 C ATOM 413 C GLU A 30 -8.513 8.877 -4.569 1.00 0.00 C ATOM 414 O GLU A 30 -7.436 8.290 -4.694 1.00 0.00 O ATOM 415 CB GLU A 30 -7.838 10.249 -2.521 1.00 0.00 C ATOM 416 CG GLU A 30 -7.871 11.587 -1.753 1.00 0.00 C ATOM 417 CD GLU A 30 -7.428 12.792 -2.600 1.00 0.00 C ATOM 418 OE1 GLU A 30 -6.398 12.699 -3.309 1.00 0.00 O ATOM 419 OE2 GLU A 30 -8.105 13.847 -2.570 1.00 0.00 O1- ATOM 0 H GLU A 30 -10.285 10.689 -2.772 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.046 10.943 -4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.284 9.476 -1.895 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.798 9.966 -2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.883 11.762 -1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.225 11.511 -0.878 1.00 0.00 H new ATOM 426 N PHE A 31 -9.651 8.345 -5.032 1.00 0.00 N ATOM 427 CA PHE A 31 -9.679 7.150 -5.884 1.00 0.00 C ATOM 428 C PHE A 31 -8.893 7.376 -7.189 1.00 0.00 C ATOM 429 O PHE A 31 -8.971 8.447 -7.805 1.00 0.00 O ATOM 430 CB PHE A 31 -11.123 6.709 -6.156 1.00 0.00 C ATOM 431 CG PHE A 31 -11.258 5.372 -6.865 1.00 0.00 C ATOM 432 CD1 PHE A 31 -11.479 4.193 -6.129 1.00 0.00 C ATOM 433 CD2 PHE A 31 -11.158 5.300 -8.265 1.00 0.00 C ATOM 434 CE1 PHE A 31 -11.596 2.955 -6.786 1.00 0.00 C ATOM 435 CE2 PHE A 31 -11.236 4.063 -8.924 1.00 0.00 C ATOM 436 CZ PHE A 31 -11.463 2.889 -8.186 1.00 0.00 C ATOM 0 H PHE A 31 -10.574 8.729 -4.828 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.183 6.340 -5.349 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -11.657 6.657 -5.207 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.615 7.474 -6.757 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.559 4.239 -5.053 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -11.020 6.204 -8.839 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.787 2.057 -6.218 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -11.122 4.014 -9.997 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.535 1.938 -8.692 1.00 0.00 H new ATOM 446 N ILE A 32 -8.115 6.365 -7.599 1.00 0.00 N ATOM 447 CA ILE A 32 -7.133 6.475 -8.690 1.00 0.00 C ATOM 448 C ILE A 32 -7.789 6.675 -10.068 1.00 0.00 C ATOM 449 O ILE A 32 -8.855 6.130 -10.362 1.00 0.00 O ATOM 450 CB ILE A 32 -6.153 5.271 -8.662 1.00 0.00 C ATOM 451 CG1 ILE A 32 -4.730 5.643 -9.117 1.00 0.00 C ATOM 452 CG2 ILE A 32 -6.640 4.087 -9.518 1.00 0.00 C ATOM 453 CD1 ILE A 32 -4.048 6.653 -8.190 1.00 0.00 C ATOM 0 H ILE A 32 -8.149 5.436 -7.178 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.552 7.381 -8.519 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.125 4.972 -7.614 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.123 4.739 -9.169 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.773 6.056 -10.125 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -5.916 3.274 -9.461 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.604 3.741 -9.145 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.746 4.407 -10.555 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.049 6.874 -8.565 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.635 7.571 -8.158 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.975 6.234 -7.186 1.00 0.00 H new ATOM 722 N TRP A 56 8.138 -13.769 7.390 1.00 0.00 N ATOM 723 CA TRP A 56 7.011 -12.853 7.669 1.00 0.00 C ATOM 724 C TRP A 56 6.916 -11.689 6.662 1.00 0.00 C ATOM 725 O TRP A 56 5.818 -11.304 6.257 1.00 0.00 O ATOM 726 CB TRP A 56 7.162 -12.320 9.107 1.00 0.00 C ATOM 727 CG TRP A 56 8.416 -11.537 9.382 1.00 0.00 C ATOM 728 CD1 TRP A 56 9.565 -12.057 9.880 1.00 0.00 C ATOM 729 CD2 TRP A 56 8.694 -10.121 9.136 1.00 0.00 C ATOM 730 NE1 TRP A 56 10.539 -11.078 9.911 1.00 0.00 N ATOM 731 CE2 TRP A 56 10.071 -9.875 9.428 1.00 0.00 C ATOM 732 CE3 TRP A 56 7.939 -9.027 8.658 1.00 0.00 C ATOM 733 CZ2 TRP A 56 10.677 -8.631 9.214 1.00 0.00 C ATOM 734 CZ3 TRP A 56 8.537 -7.771 8.430 1.00 0.00 C ATOM 735 CH2 TRP A 56 9.910 -7.576 8.692 1.00 0.00 C ATOM 0 HA TRP A 56 6.082 -13.413 7.563 1.00 0.00 H new ATOM 0 HB2 TRP A 56 6.303 -11.688 9.333 1.00 0.00 H new ATOM 0 HB3 TRP A 56 7.125 -13.165 9.794 1.00 0.00 H new ATOM 0 HD1 TRP A 56 9.698 -13.079 10.203 1.00 0.00 H new ATOM 0 HE1 TRP A 56 11.489 -11.227 10.250 1.00 0.00 H new ATOM 0 HE3 TRP A 56 6.884 -9.155 8.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 11.721 -8.484 9.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 7.941 -6.953 8.053 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.369 -6.619 8.492 1.00 0.00 H new ATOM 746 N LYS A 57 8.071 -11.167 6.217 1.00 0.00 N ATOM 747 CA LYS A 57 8.180 -10.079 5.239 1.00 0.00 C ATOM 748 C LYS A 57 7.744 -10.526 3.842 1.00 0.00 C ATOM 749 O LYS A 57 6.988 -9.812 3.186 1.00 0.00 O ATOM 750 CB LYS A 57 9.607 -9.485 5.281 1.00 0.00 C ATOM 751 CG LYS A 57 10.687 -10.433 4.746 1.00 0.00 C ATOM 752 CD LYS A 57 12.103 -9.902 4.963 1.00 0.00 C ATOM 753 CE LYS A 57 13.145 -10.938 4.507 1.00 0.00 C ATOM 754 NZ LYS A 57 13.053 -11.243 3.054 1.00 0.00 N1+ ATOM 0 H LYS A 57 8.979 -11.502 6.539 1.00 0.00 H new ATOM 0 HA LYS A 57 7.488 -9.281 5.508 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.624 -8.564 4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.849 -9.217 6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.588 -11.402 5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.525 -10.597 3.681 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.238 -8.974 4.408 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.252 -9.668 6.017 1.00 0.00 H new ATOM 0 HE2 LYS A 57 14.144 -10.566 4.734 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.010 -11.858 5.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.848 -11.853 2.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.156 -11.732 2.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.090 -10.357 2.510 1.00 0.00 H new ATOM 768 N ASP A 58 8.139 -11.730 3.417 1.00 0.00 N ATOM 769 CA ASP A 58 7.747 -12.317 2.128 1.00 0.00 C ATOM 770 C ASP A 58 6.252 -12.662 2.098 1.00 0.00 C ATOM 771 O ASP A 58 5.575 -12.366 1.115 1.00 0.00 O ATOM 772 CB ASP A 58 8.562 -13.586 1.797 1.00 0.00 C ATOM 773 CG ASP A 58 10.060 -13.385 1.496 1.00 0.00 C ATOM 774 OD1 ASP A 58 10.593 -14.123 0.631 1.00 0.00 O ATOM 775 OD2 ASP A 58 10.723 -12.523 2.118 1.00 0.00 O1- ATOM 0 H ASP A 58 8.750 -12.335 3.966 1.00 0.00 H new ATOM 0 HA ASP A 58 7.958 -11.558 1.374 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.473 -14.277 2.636 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.103 -14.070 0.935 1.00 0.00 H new ATOM 780 N ASP A 59 5.717 -13.237 3.180 1.00 0.00 N ATOM 781 CA ASP A 59 4.300 -13.619 3.315 1.00 0.00 C ATOM 782 C ASP A 59 3.351 -12.411 3.168 1.00 0.00 C ATOM 783 O ASP A 59 2.297 -12.509 2.537 1.00 0.00 O ATOM 784 CB ASP A 59 4.109 -14.311 4.678 1.00 0.00 C ATOM 785 CG ASP A 59 2.683 -14.821 4.964 1.00 0.00 C ATOM 786 OD1 ASP A 59 1.892 -15.079 4.023 1.00 0.00 O ATOM 787 OD2 ASP A 59 2.350 -15.006 6.159 1.00 0.00 O1- ATOM 0 H ASP A 59 6.268 -13.457 4.010 1.00 0.00 H new ATOM 0 HA ASP A 59 4.043 -14.305 2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.797 -15.154 4.739 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.392 -13.612 5.465 1.00 0.00 H new ATOM 792 N TYR A 60 3.744 -11.250 3.705 1.00 0.00 N ATOM 793 CA TYR A 60 3.042 -9.979 3.521 1.00 0.00 C ATOM 794 C TYR A 60 3.258 -9.402 2.110 1.00 0.00 C ATOM 795 O TYR A 60 2.296 -9.171 1.376 1.00 0.00 O ATOM 796 CB TYR A 60 3.496 -9.024 4.629 1.00 0.00 C ATOM 797 CG TYR A 60 2.771 -7.695 4.678 1.00 0.00 C ATOM 798 CD1 TYR A 60 3.485 -6.494 4.514 1.00 0.00 C ATOM 799 CD2 TYR A 60 1.390 -7.659 4.968 1.00 0.00 C ATOM 800 CE1 TYR A 60 2.831 -5.255 4.654 1.00 0.00 C ATOM 801 CE2 TYR A 60 0.731 -6.422 5.095 1.00 0.00 C ATOM 802 CZ TYR A 60 1.449 -5.214 4.954 1.00 0.00 C ATOM 803 OH TYR A 60 0.812 -4.026 5.141 1.00 0.00 O ATOM 0 H TYR A 60 4.575 -11.168 4.291 1.00 0.00 H new ATOM 0 HA TYR A 60 1.966 -10.132 3.600 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.370 -9.523 5.590 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.562 -8.833 4.506 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.539 -6.522 4.280 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.840 -8.580 5.092 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.384 -4.336 4.532 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.329 -6.396 5.301 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.134 -4.189 5.337 1.00 0.00 H new ATOM 813 N LEU A 61 4.517 -9.209 1.697 1.00 0.00 N ATOM 814 CA LEU A 61 4.886 -8.503 0.465 1.00 0.00 C ATOM 815 C LEU A 61 4.413 -9.210 -0.822 1.00 0.00 C ATOM 816 O LEU A 61 4.020 -8.544 -1.785 1.00 0.00 O ATOM 817 CB LEU A 61 6.409 -8.292 0.490 1.00 0.00 C ATOM 818 CG LEU A 61 6.975 -7.506 -0.703 1.00 0.00 C ATOM 819 CD1 LEU A 61 6.458 -6.071 -0.762 1.00 0.00 C ATOM 820 CD2 LEU A 61 8.496 -7.458 -0.592 1.00 0.00 C ATOM 0 H LEU A 61 5.324 -9.547 2.222 1.00 0.00 H new ATOM 0 HA LEU A 61 4.369 -7.544 0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.673 -7.769 1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.895 -9.267 0.527 1.00 0.00 H new ATOM 0 HG LEU A 61 6.651 -8.020 -1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.891 -5.564 -1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.372 -6.079 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.742 -5.544 0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.905 -6.902 -1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.778 -6.965 0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.894 -8.473 -0.600 1.00 0.00 H new ATOM 832 N SER A 62 4.370 -10.548 -0.832 1.00 0.00 N ATOM 833 CA SER A 62 3.864 -11.334 -1.975 1.00 0.00 C ATOM 834 C SER A 62 2.381 -11.074 -2.262 1.00 0.00 C ATOM 835 O SER A 62 1.965 -11.109 -3.421 1.00 0.00 O ATOM 836 CB SER A 62 4.059 -12.836 -1.749 1.00 0.00 C ATOM 837 OG SER A 62 5.430 -13.157 -1.587 1.00 0.00 O ATOM 0 H SER A 62 4.684 -11.121 -0.049 1.00 0.00 H new ATOM 0 HA SER A 62 4.447 -11.007 -2.836 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.503 -13.148 -0.865 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.651 -13.390 -2.595 1.00 0.00 H new ATOM 0 HG SER A 62 5.705 -12.964 -0.666 1.00 0.00 H new ATOM 843 N ARG A 63 1.579 -10.765 -1.232 1.00 0.00 N ATOM 844 CA ARG A 63 0.169 -10.357 -1.374 1.00 0.00 C ATOM 845 C ARG A 63 0.076 -8.944 -1.941 1.00 0.00 C ATOM 846 O ARG A 63 -0.626 -8.726 -2.930 1.00 0.00 O ATOM 847 CB ARG A 63 -0.567 -10.454 -0.022 1.00 0.00 C ATOM 848 CG ARG A 63 -0.529 -11.871 0.576 1.00 0.00 C ATOM 849 CD ARG A 63 -0.993 -11.882 2.038 1.00 0.00 C ATOM 850 NE ARG A 63 -0.607 -13.145 2.690 1.00 0.00 N ATOM 851 CZ ARG A 63 -1.361 -14.199 2.930 1.00 0.00 C ATOM 852 NH1 ARG A 63 -2.634 -14.231 2.644 1.00 0.00 N1+ ATOM 853 NH2 ARG A 63 -0.832 -15.261 3.460 1.00 0.00 N ATOM 0 H ARG A 63 1.894 -10.791 -0.262 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.317 -11.039 -2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.117 -9.755 0.683 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.605 -10.148 -0.155 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.165 -12.532 -0.013 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.485 -12.266 0.513 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.553 -11.040 2.572 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.075 -11.758 2.084 1.00 0.00 H new ATOM 0 HE ARG A 63 0.364 -13.212 2.993 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.082 -13.419 2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.181 -15.068 2.846 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.162 -15.276 3.688 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.411 -16.080 3.648 1.00 0.00 H new ATOM 867 N LEU A 64 0.824 -7.996 -1.370 1.00 0.00 N ATOM 868 CA LEU A 64 0.811 -6.591 -1.787 1.00 0.00 C ATOM 869 C LEU A 64 1.242 -6.408 -3.257 1.00 0.00 C ATOM 870 O LEU A 64 0.641 -5.599 -3.963 1.00 0.00 O ATOM 871 CB LEU A 64 1.683 -5.753 -0.832 1.00 0.00 C ATOM 872 CG LEU A 64 0.964 -5.265 0.444 1.00 0.00 C ATOM 873 CD1 LEU A 64 0.681 -6.355 1.474 1.00 0.00 C ATOM 874 CD2 LEU A 64 1.803 -4.186 1.130 1.00 0.00 C ATOM 0 H LEU A 64 1.462 -8.184 -0.597 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.217 -6.234 -1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.549 -6.346 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.059 -4.885 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 64 0.001 -4.888 0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.174 -5.919 2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.046 -7.121 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.620 -6.805 1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.291 -3.845 2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.776 -4.598 1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.941 -3.345 0.450 1.00 0.00 H new ATOM 886 N SER A 65 2.208 -7.184 -3.758 1.00 0.00 N ATOM 887 CA SER A 65 2.620 -7.106 -5.174 1.00 0.00 C ATOM 888 C SER A 65 1.537 -7.604 -6.158 1.00 0.00 C ATOM 889 O SER A 65 1.480 -7.131 -7.296 1.00 0.00 O ATOM 890 CB SER A 65 3.946 -7.847 -5.392 1.00 0.00 C ATOM 891 OG SER A 65 3.795 -9.259 -5.305 1.00 0.00 O ATOM 0 H SER A 65 2.722 -7.874 -3.210 1.00 0.00 H new ATOM 0 HA SER A 65 2.762 -6.048 -5.396 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.349 -7.586 -6.371 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.672 -7.515 -4.650 1.00 0.00 H new ATOM 0 HG SER A 65 3.131 -9.475 -4.618 1.00 0.00 H new ATOM 897 N ARG A 66 0.646 -8.508 -5.717 1.00 0.00 N ATOM 898 CA ARG A 66 -0.489 -9.057 -6.495 1.00 0.00 C ATOM 899 C ARG A 66 -1.758 -8.196 -6.418 1.00 0.00 C ATOM 900 O ARG A 66 -2.504 -8.132 -7.398 1.00 0.00 O ATOM 901 CB ARG A 66 -0.791 -10.483 -6.005 1.00 0.00 C ATOM 902 CG ARG A 66 0.323 -11.481 -6.353 1.00 0.00 C ATOM 903 CD ARG A 66 0.060 -12.822 -5.659 1.00 0.00 C ATOM 904 NE ARG A 66 1.077 -13.826 -6.019 1.00 0.00 N ATOM 905 CZ ARG A 66 1.149 -15.069 -5.579 1.00 0.00 C ATOM 906 NH1 ARG A 66 0.271 -15.564 -4.752 1.00 0.00 N1+ ATOM 907 NH2 ARG A 66 2.108 -15.856 -5.970 1.00 0.00 N ATOM 0 H ARG A 66 0.694 -8.894 -4.774 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.188 -9.062 -7.543 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.935 -10.468 -4.925 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.728 -10.823 -6.446 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.371 -11.624 -7.433 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.289 -11.084 -6.041 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.055 -12.679 -4.578 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.928 -13.188 -5.936 1.00 0.00 H new ATOM 0 HE ARG A 66 1.800 -13.530 -6.675 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.503 -14.986 -4.424 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.358 -16.529 -4.433 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.814 -15.515 -6.623 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.154 -16.814 -5.624 1.00 0.00 H new ATOM 921 N LEU A 67 -2.013 -7.549 -5.280 1.00 0.00 N ATOM 922 CA LEU A 67 -3.137 -6.619 -5.084 1.00 0.00 C ATOM 923 C LEU A 67 -3.001 -5.369 -5.977 1.00 0.00 C ATOM 924 O LEU A 67 -1.901 -4.962 -6.357 1.00 0.00 O ATOM 925 CB LEU A 67 -3.235 -6.244 -3.583 1.00 0.00 C ATOM 926 CG LEU A 67 -4.257 -7.093 -2.798 1.00 0.00 C ATOM 927 CD1 LEU A 67 -3.999 -8.599 -2.829 1.00 0.00 C ATOM 928 CD2 LEU A 67 -4.271 -6.653 -1.336 1.00 0.00 C ATOM 0 H LEU A 67 -1.434 -7.656 -4.447 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.062 -7.112 -5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.253 -6.357 -3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.507 -5.192 -3.497 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.212 -6.922 -3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.768 -9.112 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.025 -8.951 -3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.020 -8.809 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.993 -7.253 -0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.279 -6.790 -0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.551 -5.601 -1.275 1.00 0.00 H new ATOM 940 N SER A 68 -4.134 -4.745 -6.313 1.00 0.00 N ATOM 941 CA SER A 68 -4.191 -3.492 -7.079 1.00 0.00 C ATOM 942 C SER A 68 -3.821 -2.280 -6.213 1.00 0.00 C ATOM 943 O SER A 68 -3.910 -2.333 -4.982 1.00 0.00 O ATOM 944 CB SER A 68 -5.587 -3.324 -7.701 1.00 0.00 C ATOM 945 OG SER A 68 -5.621 -2.191 -8.553 1.00 0.00 O ATOM 0 H SER A 68 -5.055 -5.101 -6.057 1.00 0.00 H new ATOM 0 HA SER A 68 -3.453 -3.546 -7.879 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.849 -4.218 -8.266 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.332 -3.215 -6.912 1.00 0.00 H new ATOM 0 HG SER A 68 -6.516 -2.100 -8.941 1.00 0.00 H new ATOM 951 N LYS A 69 -3.444 -1.149 -6.827 1.00 0.00 N ATOM 952 CA LYS A 69 -3.111 0.104 -6.119 1.00 0.00 C ATOM 953 C LYS A 69 -4.259 0.591 -5.222 1.00 0.00 C ATOM 954 O LYS A 69 -4.022 0.960 -4.073 1.00 0.00 O ATOM 955 CB LYS A 69 -2.634 1.146 -7.147 1.00 0.00 C ATOM 956 CG LYS A 69 -2.481 2.548 -6.536 1.00 0.00 C ATOM 957 CD LYS A 69 -1.475 3.427 -7.284 1.00 0.00 C ATOM 958 CE LYS A 69 -1.474 4.809 -6.624 1.00 0.00 C ATOM 959 NZ LYS A 69 -0.520 5.748 -7.271 1.00 0.00 N1+ ATOM 0 H LYS A 69 -3.360 -1.074 -7.841 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.292 -0.076 -5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.678 0.829 -7.564 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.344 1.189 -7.973 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.452 3.043 -6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.167 2.452 -5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.479 2.985 -7.245 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.747 3.507 -8.336 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.479 5.230 -6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.217 4.704 -5.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.849 6.725 -7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.421 5.637 -6.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.464 5.539 -8.288 1.00 0.00 H new ATOM 973 N ASN A 70 -5.509 0.489 -5.679 1.00 0.00 N ATOM 974 CA ASN A 70 -6.684 0.819 -4.868 1.00 0.00 C ATOM 975 C ASN A 70 -6.796 -0.060 -3.600 1.00 0.00 C ATOM 976 O ASN A 70 -7.119 0.443 -2.522 1.00 0.00 O ATOM 977 CB ASN A 70 -7.945 0.691 -5.735 1.00 0.00 C ATOM 978 CG ASN A 70 -7.931 1.560 -6.972 1.00 0.00 C ATOM 979 OD1 ASN A 70 -8.345 2.799 -6.860 1.00 0.00 O flip ATOM 980 ND2 ASN A 70 -7.543 1.131 -8.051 1.00 0.00 N flip ATOM 0 H ASN A 70 -5.736 0.175 -6.623 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.577 1.846 -4.519 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.062 -0.350 -6.036 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.816 0.949 -5.132 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.222 0.166 -8.131 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.540 1.739 -8.870 1.00 0.00 H new ATOM 987 N GLN A 71 -6.482 -1.355 -3.720 1.00 0.00 N ATOM 988 CA GLN A 71 -6.448 -2.303 -2.599 1.00 0.00 C ATOM 989 C GLN A 71 -5.294 -2.003 -1.626 1.00 0.00 C ATOM 990 O GLN A 71 -5.493 -2.068 -0.415 1.00 0.00 O ATOM 991 CB GLN A 71 -6.367 -3.740 -3.133 1.00 0.00 C ATOM 992 CG GLN A 71 -7.657 -4.183 -3.834 1.00 0.00 C ATOM 993 CD GLN A 71 -7.521 -5.592 -4.400 1.00 0.00 C ATOM 994 OE1 GLN A 71 -6.725 -5.845 -5.300 1.00 0.00 O ATOM 995 NE2 GLN A 71 -8.267 -6.566 -3.917 1.00 0.00 N ATOM 0 H GLN A 71 -6.240 -1.782 -4.614 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.372 -2.190 -2.031 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.534 -3.818 -3.831 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.155 -4.419 -2.307 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.487 -4.150 -3.128 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.895 -3.487 -4.638 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.934 -6.375 -3.169 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.177 -7.511 -4.291 1.00 0.00 H new ATOM 1004 N LEU A 72 -4.111 -1.612 -2.130 1.00 0.00 N ATOM 1005 CA LEU A 72 -2.982 -1.166 -1.299 1.00 0.00 C ATOM 1006 C LEU A 72 -3.343 0.066 -0.461 1.00 0.00 C ATOM 1007 O LEU A 72 -3.113 0.077 0.749 1.00 0.00 O ATOM 1008 CB LEU A 72 -1.742 -0.858 -2.165 1.00 0.00 C ATOM 1009 CG LEU A 72 -1.113 -2.077 -2.858 1.00 0.00 C ATOM 1010 CD1 LEU A 72 0.070 -1.637 -3.725 1.00 0.00 C ATOM 1011 CD2 LEU A 72 -0.602 -3.086 -1.836 1.00 0.00 C ATOM 0 H LEU A 72 -3.911 -1.597 -3.130 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.748 -1.986 -0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.022 -0.130 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.987 -0.387 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.886 -2.540 -3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.508 -2.508 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.276 -0.934 -4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.821 -1.155 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.162 -3.938 -2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.153 -2.615 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.431 -3.427 -1.216 1.00 0.00 H new ATOM 1023 N MET A 73 -3.960 1.078 -1.077 1.00 0.00 N ATOM 1024 CA MET A 73 -4.444 2.273 -0.366 1.00 0.00 C ATOM 1025 C MET A 73 -5.483 1.935 0.708 1.00 0.00 C ATOM 1026 O MET A 73 -5.445 2.514 1.796 1.00 0.00 O ATOM 1027 CB MET A 73 -5.005 3.278 -1.389 1.00 0.00 C ATOM 1028 CG MET A 73 -3.881 4.049 -2.106 1.00 0.00 C ATOM 1029 SD MET A 73 -4.004 4.206 -3.909 1.00 0.00 S ATOM 1030 CE MET A 73 -5.563 5.113 -4.097 1.00 0.00 C ATOM 0 H MET A 73 -4.140 1.096 -2.081 1.00 0.00 H new ATOM 0 HA MET A 73 -3.601 2.721 0.161 1.00 0.00 H new ATOM 0 HB2 MET A 73 -5.610 2.749 -2.125 1.00 0.00 H new ATOM 0 HB3 MET A 73 -5.664 3.983 -0.883 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.835 5.052 -1.682 1.00 0.00 H new ATOM 0 HG3 MET A 73 -2.935 3.561 -1.873 1.00 0.00 H new ATOM 0 HE1 MET A 73 -6.287 4.488 -4.620 1.00 0.00 H new ATOM 0 HE2 MET A 73 -5.953 5.374 -3.113 1.00 0.00 H new ATOM 0 HE3 MET A 73 -5.388 6.023 -4.671 1.00 0.00 H new ATOM 1040 N ALA A 74 -6.381 0.974 0.456 1.00 0.00 N ATOM 1041 CA ALA A 74 -7.413 0.567 1.407 1.00 0.00 C ATOM 1042 C ALA A 74 -6.882 -0.298 2.570 1.00 0.00 C ATOM 1043 O ALA A 74 -7.232 -0.033 3.721 1.00 0.00 O ATOM 1044 CB ALA A 74 -8.534 -0.134 0.636 1.00 0.00 C ATOM 0 H ALA A 74 -6.408 0.455 -0.422 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.798 1.463 1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.314 -0.445 1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.955 0.553 -0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.132 -1.009 0.126 1.00 0.00 H new ATOM 1050 N LEU A 75 -6.023 -1.300 2.319 1.00 0.00 N ATOM 1051 CA LEU A 75 -5.460 -2.148 3.386 1.00 0.00 C ATOM 1052 C LEU A 75 -4.555 -1.341 4.328 1.00 0.00 C ATOM 1053 O LEU A 75 -4.628 -1.504 5.549 1.00 0.00 O ATOM 1054 CB LEU A 75 -4.783 -3.418 2.811 1.00 0.00 C ATOM 1055 CG LEU A 75 -3.352 -3.292 2.247 1.00 0.00 C ATOM 1056 CD1 LEU A 75 -2.274 -3.599 3.294 1.00 0.00 C ATOM 1057 CD2 LEU A 75 -3.140 -4.284 1.106 1.00 0.00 C ATOM 0 H LEU A 75 -5.701 -1.544 1.382 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.285 -2.508 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.765 -4.171 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.421 -3.804 2.016 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.257 -2.259 1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.288 -3.495 2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.367 -2.902 4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.400 -4.619 3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.126 -4.182 0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.288 -5.299 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.855 -4.080 0.309 1.00 0.00 H new ATOM 1069 N ALA A 76 -3.759 -0.422 3.772 1.00 0.00 N ATOM 1070 CA ALA A 76 -2.888 0.479 4.526 1.00 0.00 C ATOM 1071 C ALA A 76 -3.679 1.468 5.405 1.00 0.00 C ATOM 1072 O ALA A 76 -3.261 1.762 6.528 1.00 0.00 O ATOM 1073 CB ALA A 76 -1.989 1.209 3.529 1.00 0.00 C ATOM 0 H ALA A 76 -3.703 -0.283 2.763 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.284 -0.105 5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -1.328 1.889 4.066 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.392 0.482 2.977 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.605 1.777 2.832 1.00 0.00 H new ATOM 1079 N LEU A 77 -4.836 1.952 4.936 1.00 0.00 N ATOM 1080 CA LEU A 77 -5.756 2.789 5.713 1.00 0.00 C ATOM 1081 C LEU A 77 -6.385 1.989 6.864 1.00 0.00 C ATOM 1082 O LEU A 77 -6.304 2.412 8.018 1.00 0.00 O ATOM 1083 CB LEU A 77 -6.801 3.410 4.757 1.00 0.00 C ATOM 1084 CG LEU A 77 -7.730 4.528 5.277 1.00 0.00 C ATOM 1085 CD1 LEU A 77 -8.718 4.080 6.354 1.00 0.00 C ATOM 1086 CD2 LEU A 77 -6.950 5.733 5.796 1.00 0.00 C ATOM 0 H LEU A 77 -5.164 1.769 3.988 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.213 3.607 6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.263 3.805 3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.434 2.601 4.393 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.309 4.811 4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.330 4.928 6.661 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.360 3.295 5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.169 3.698 7.215 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.647 6.492 6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.304 5.422 6.617 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.342 6.146 4.992 1.00 0.00 H new ATOM 1098 N LYS A 78 -6.934 0.799 6.581 1.00 0.00 N ATOM 1099 CA LYS A 78 -7.583 -0.062 7.588 1.00 0.00 C ATOM 1100 C LYS A 78 -6.646 -0.451 8.730 1.00 0.00 C ATOM 1101 O LYS A 78 -7.017 -0.296 9.897 1.00 0.00 O ATOM 1102 CB LYS A 78 -8.166 -1.317 6.915 1.00 0.00 C ATOM 1103 CG LYS A 78 -9.475 -1.003 6.172 1.00 0.00 C ATOM 1104 CD LYS A 78 -9.982 -2.235 5.406 1.00 0.00 C ATOM 1105 CE LYS A 78 -11.293 -1.943 4.665 1.00 0.00 C ATOM 1106 NZ LYS A 78 -12.470 -1.965 5.572 1.00 0.00 N1+ ATOM 0 H LYS A 78 -6.942 0.402 5.642 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.390 0.520 8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.438 -1.726 6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.349 -2.083 7.668 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.232 -0.676 6.884 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.314 -0.179 5.477 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.224 -2.557 4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.134 -3.060 6.103 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.226 -0.967 4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.433 -2.680 3.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.246 -1.419 5.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.778 -2.948 5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.211 -1.544 6.487 1.00 0.00 H new ATOM 1120 N LEU A 79 -5.415 -0.883 8.425 1.00 0.00 N ATOM 1121 CA LEU A 79 -4.439 -1.259 9.461 1.00 0.00 C ATOM 1122 C LEU A 79 -3.957 -0.054 10.288 1.00 0.00 C ATOM 1123 O LEU A 79 -3.627 -0.225 11.461 1.00 0.00 O ATOM 1124 CB LEU A 79 -3.296 -2.105 8.867 1.00 0.00 C ATOM 1125 CG LEU A 79 -2.294 -1.390 7.939 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -1.171 -0.667 8.694 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -1.623 -2.418 7.024 1.00 0.00 C ATOM 0 H LEU A 79 -5.070 -0.981 7.470 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.950 -1.898 10.181 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.736 -2.543 9.693 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.741 -2.930 8.311 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.873 -0.651 7.386 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.503 -0.186 7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.602 0.087 9.352 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.609 -1.388 9.288 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.914 -1.913 6.368 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.095 -3.155 7.630 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.381 -2.919 6.422 1.00 0.00 H new ATOM 1139 N LYS A 80 -3.947 1.166 9.733 1.00 0.00 N ATOM 1140 CA LYS A 80 -3.613 2.400 10.472 1.00 0.00 C ATOM 1141 C LYS A 80 -4.769 2.873 11.364 1.00 0.00 C ATOM 1142 O LYS A 80 -4.538 3.387 12.454 1.00 0.00 O ATOM 1143 CB LYS A 80 -3.159 3.488 9.485 1.00 0.00 C ATOM 1144 CG LYS A 80 -2.511 4.671 10.223 1.00 0.00 C ATOM 1145 CD LYS A 80 -1.924 5.698 9.245 1.00 0.00 C ATOM 1146 CE LYS A 80 -1.142 6.772 10.017 1.00 0.00 C ATOM 1147 NZ LYS A 80 -0.543 7.777 9.105 1.00 0.00 N1+ ATOM 0 H LYS A 80 -4.172 1.330 8.752 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.787 2.183 11.149 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.448 3.065 8.775 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.014 3.840 8.908 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.254 5.155 10.857 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.723 4.302 10.880 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.267 5.200 8.533 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.724 6.163 8.669 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.808 7.271 10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.355 6.298 10.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.464 7.899 9.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.635 7.452 8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.037 8.685 9.217 1.00 0.00 H new ATOM 1161 N GLN A 81 -6.007 2.655 10.935 1.00 0.00 N ATOM 1162 CA GLN A 81 -7.216 3.077 11.647 1.00 0.00 C ATOM 1163 C GLN A 81 -7.538 2.167 12.850 1.00 0.00 C ATOM 1164 O GLN A 81 -8.007 2.654 13.879 1.00 0.00 O ATOM 1165 CB GLN A 81 -8.370 3.171 10.632 1.00 0.00 C ATOM 1166 CG GLN A 81 -9.704 3.593 11.268 1.00 0.00 C ATOM 1167 CD GLN A 81 -10.757 3.989 10.231 1.00 0.00 C ATOM 1168 OE1 GLN A 81 -11.348 5.061 10.281 1.00 0.00 O ATOM 1169 NE2 GLN A 81 -11.034 3.161 9.243 1.00 0.00 N ATOM 0 H GLN A 81 -6.207 2.168 10.061 1.00 0.00 H new ATOM 0 HA GLN A 81 -7.056 4.061 12.087 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.104 3.887 9.854 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.497 2.204 10.146 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.088 2.772 11.874 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.531 4.432 11.942 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.555 2.263 9.181 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.728 3.419 8.541 1.00 0.00 H new ATOM 1178 N GLN A 82 -7.263 0.860 12.755 1.00 0.00 N ATOM 1179 CA GLN A 82 -7.446 -0.077 13.877 1.00 0.00 C ATOM 1180 C GLN A 82 -6.322 0.006 14.928 1.00 0.00 C ATOM 1181 O GLN A 82 -6.594 -0.080 16.130 1.00 0.00 O ATOM 1182 CB GLN A 82 -7.668 -1.503 13.333 1.00 0.00 C ATOM 1183 CG GLN A 82 -6.439 -2.155 12.673 1.00 0.00 C ATOM 1184 CD GLN A 82 -5.440 -2.795 13.644 1.00 0.00 C ATOM 1185 OE1 GLN A 82 -5.693 -3.000 14.826 1.00 0.00 O ATOM 1186 NE2 GLN A 82 -4.249 -3.114 13.188 1.00 0.00 N ATOM 0 H GLN A 82 -6.909 0.422 11.905 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.342 0.219 14.423 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.000 -2.139 14.153 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.478 -1.474 12.605 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.783 -2.918 11.975 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.918 -1.399 12.086 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.018 -2.952 12.208 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.556 -3.524 13.814 1.00 0.00 H new ATOM 1403 N GLU B 111 8.279 6.872 8.842 1.00 0.00 N ATOM 1404 CA GLU B 111 8.768 6.063 7.708 1.00 0.00 C ATOM 1405 C GLU B 111 8.357 6.638 6.338 1.00 0.00 C ATOM 1406 O GLU B 111 9.117 6.547 5.374 1.00 0.00 O ATOM 1407 CB GLU B 111 8.229 4.621 7.825 1.00 0.00 C ATOM 1408 CG GLU B 111 8.506 3.912 9.164 1.00 0.00 C ATOM 1409 CD GLU B 111 9.991 3.918 9.587 1.00 0.00 C ATOM 1410 OE1 GLU B 111 10.894 3.854 8.716 1.00 0.00 O ATOM 1411 OE2 GLU B 111 10.265 3.950 10.812 1.00 0.00 O1- ATOM 0 HA GLU B 111 9.857 6.078 7.760 1.00 0.00 H new ATOM 0 HB2 GLU B 111 7.152 4.641 7.661 1.00 0.00 H new ATOM 0 HB3 GLU B 111 8.662 4.024 7.022 1.00 0.00 H new ATOM 0 HG2 GLU B 111 7.915 4.391 9.945 1.00 0.00 H new ATOM 0 HG3 GLU B 111 8.164 2.879 9.093 1.00 0.00 H new ATOM 1418 N LEU B 112 7.192 7.294 6.253 1.00 0.00 N ATOM 1419 CA LEU B 112 6.695 7.951 5.040 1.00 0.00 C ATOM 1420 C LEU B 112 7.643 9.052 4.532 1.00 0.00 C ATOM 1421 O LEU B 112 7.783 9.218 3.324 1.00 0.00 O ATOM 1422 CB LEU B 112 5.294 8.534 5.333 1.00 0.00 C ATOM 1423 CG LEU B 112 4.102 7.554 5.309 1.00 0.00 C ATOM 1424 CD1 LEU B 112 3.875 6.987 3.909 1.00 0.00 C ATOM 1425 CD2 LEU B 112 4.222 6.372 6.271 1.00 0.00 C ATOM 0 H LEU B 112 6.555 7.384 7.045 1.00 0.00 H new ATOM 0 HA LEU B 112 6.639 7.206 4.246 1.00 0.00 H new ATOM 0 HB2 LEU B 112 5.323 9.006 6.315 1.00 0.00 H new ATOM 0 HB3 LEU B 112 5.098 9.322 4.606 1.00 0.00 H new ATOM 0 HG LEU B 112 3.260 8.165 5.635 1.00 0.00 H new ATOM 0 HD11 LEU B 112 3.028 6.301 3.927 1.00 0.00 H new ATOM 0 HD12 LEU B 112 3.667 7.802 3.216 1.00 0.00 H new ATOM 0 HD13 LEU B 112 4.768 6.453 3.583 1.00 0.00 H new ATOM 0 HD21 LEU B 112 3.338 5.740 6.183 1.00 0.00 H new ATOM 0 HD22 LEU B 112 5.110 5.791 6.024 1.00 0.00 H new ATOM 0 HD23 LEU B 112 4.303 6.742 7.293 1.00 0.00 H new ATOM 1437 N SER B 113 8.325 9.773 5.428 1.00 0.00 N ATOM 1438 CA SER B 113 9.304 10.818 5.071 1.00 0.00 C ATOM 1439 C SER B 113 10.551 10.235 4.374 1.00 0.00 C ATOM 1440 O SER B 113 11.104 10.838 3.450 1.00 0.00 O ATOM 1441 CB SER B 113 9.704 11.591 6.336 1.00 0.00 C ATOM 1442 OG SER B 113 10.578 12.670 6.036 1.00 0.00 O ATOM 0 H SER B 113 8.215 9.650 6.435 1.00 0.00 H new ATOM 0 HA SER B 113 8.833 11.495 4.358 1.00 0.00 H new ATOM 0 HB2 SER B 113 8.809 11.973 6.828 1.00 0.00 H new ATOM 0 HB3 SER B 113 10.189 10.914 7.039 1.00 0.00 H new ATOM 0 HG SER B 113 10.812 13.141 6.863 1.00 0.00 H new ATOM 1448 N GLU B 114 10.964 9.024 4.764 1.00 0.00 N ATOM 1449 CA GLU B 114 12.041 8.280 4.098 1.00 0.00 C ATOM 1450 C GLU B 114 11.606 7.754 2.720 1.00 0.00 C ATOM 1451 O GLU B 114 12.345 7.917 1.748 1.00 0.00 O ATOM 1452 CB GLU B 114 12.546 7.159 5.021 1.00 0.00 C ATOM 1453 CG GLU B 114 13.690 6.346 4.402 1.00 0.00 C ATOM 1454 CD GLU B 114 14.452 5.549 5.472 1.00 0.00 C ATOM 1455 OE1 GLU B 114 14.299 4.305 5.536 1.00 0.00 O ATOM 1456 OE2 GLU B 114 15.233 6.148 6.253 1.00 0.00 O1- ATOM 0 H GLU B 114 10.557 8.528 5.557 1.00 0.00 H new ATOM 0 HA GLU B 114 12.871 8.961 3.908 1.00 0.00 H new ATOM 0 HB2 GLU B 114 12.884 7.594 5.962 1.00 0.00 H new ATOM 0 HB3 GLU B 114 11.719 6.490 5.258 1.00 0.00 H new ATOM 0 HG2 GLU B 114 13.289 5.663 3.653 1.00 0.00 H new ATOM 0 HG3 GLU B 114 14.378 7.016 3.886 1.00 0.00 H new ATOM 1463 N ILE B 115 10.392 7.198 2.606 1.00 0.00 N ATOM 1464 CA ILE B 115 9.820 6.701 1.339 1.00 0.00 C ATOM 1465 C ILE B 115 9.608 7.820 0.302 1.00 0.00 C ATOM 1466 O ILE B 115 9.799 7.590 -0.896 1.00 0.00 O ATOM 1467 CB ILE B 115 8.523 5.905 1.623 1.00 0.00 C ATOM 1468 CG1 ILE B 115 8.793 4.633 2.456 1.00 0.00 C ATOM 1469 CG2 ILE B 115 7.774 5.508 0.336 1.00 0.00 C ATOM 1470 CD1 ILE B 115 9.822 3.661 1.878 1.00 0.00 C ATOM 0 H ILE B 115 9.767 7.077 3.403 1.00 0.00 H new ATOM 0 HA ILE B 115 10.544 6.025 0.885 1.00 0.00 H new ATOM 0 HB ILE B 115 7.892 6.584 2.197 1.00 0.00 H new ATOM 0 HG12 ILE B 115 9.126 4.936 3.449 1.00 0.00 H new ATOM 0 HG13 ILE B 115 7.851 4.100 2.585 1.00 0.00 H new ATOM 0 HG21 ILE B 115 6.873 4.952 0.596 1.00 0.00 H new ATOM 0 HG22 ILE B 115 7.499 6.406 -0.217 1.00 0.00 H new ATOM 0 HG23 ILE B 115 8.419 4.884 -0.283 1.00 0.00 H new ATOM 0 HD11 ILE B 115 9.930 2.806 2.546 1.00 0.00 H new ATOM 0 HD12 ILE B 115 9.488 3.317 0.899 1.00 0.00 H new ATOM 0 HD13 ILE B 115 10.783 4.166 1.776 1.00 0.00 H new ATOM 1482 N GLU B 116 9.274 9.037 0.738 1.00 0.00 N ATOM 1483 CA GLU B 116 9.238 10.232 -0.120 1.00 0.00 C ATOM 1484 C GLU B 116 10.630 10.650 -0.640 1.00 0.00 C ATOM 1485 O GLU B 116 10.731 11.216 -1.732 1.00 0.00 O ATOM 1486 CB GLU B 116 8.642 11.418 0.664 1.00 0.00 C ATOM 1487 CG GLU B 116 7.113 11.367 0.821 1.00 0.00 C ATOM 1488 CD GLU B 116 6.562 12.491 1.732 1.00 0.00 C ATOM 1489 OE1 GLU B 116 5.324 12.681 1.752 1.00 0.00 O ATOM 1490 OE2 GLU B 116 7.335 13.186 2.439 1.00 0.00 O1- ATOM 0 H GLU B 116 9.017 9.226 1.707 1.00 0.00 H new ATOM 0 HA GLU B 116 8.622 9.972 -0.981 1.00 0.00 H new ATOM 0 HB2 GLU B 116 9.097 11.449 1.654 1.00 0.00 H new ATOM 0 HB3 GLU B 116 8.913 12.345 0.159 1.00 0.00 H new ATOM 0 HG2 GLU B 116 6.649 11.444 -0.162 1.00 0.00 H new ATOM 0 HG3 GLU B 116 6.827 10.399 1.234 1.00 0.00 H new ATOM 1497 N GLY B 117 11.696 10.401 0.134 1.00 0.00 N ATOM 1498 CA GLY B 117 13.053 10.900 -0.133 1.00 0.00 C ATOM 1499 C GLY B 117 13.970 9.969 -0.941 1.00 0.00 C ATOM 1500 O GLY B 117 14.827 10.452 -1.686 1.00 0.00 O ATOM 0 H GLY B 117 11.638 9.835 0.981 1.00 0.00 H new ATOM 0 HA2 GLY B 117 12.971 11.847 -0.666 1.00 0.00 H new ATOM 0 HA3 GLY B 117 13.535 11.112 0.822 1.00 0.00 H new ATOM 1504 N LEU B 118 13.806 8.647 -0.804 1.00 0.00 N ATOM 1505 CA LEU B 118 14.639 7.628 -1.466 1.00 0.00 C ATOM 1506 C LEU B 118 14.402 7.506 -2.993 1.00 0.00 C ATOM 1507 O LEU B 118 13.478 8.118 -3.547 1.00 0.00 O ATOM 1508 CB LEU B 118 14.525 6.300 -0.692 1.00 0.00 C ATOM 1509 CG LEU B 118 13.136 5.627 -0.595 1.00 0.00 C ATOM 1510 CD1 LEU B 118 12.568 5.151 -1.927 1.00 0.00 C ATOM 1511 CD2 LEU B 118 13.247 4.407 0.322 1.00 0.00 C ATOM 0 H LEU B 118 13.075 8.245 -0.217 1.00 0.00 H new ATOM 0 HA LEU B 118 15.678 7.954 -1.422 1.00 0.00 H new ATOM 0 HB2 LEU B 118 15.209 5.587 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU B 118 14.882 6.475 0.323 1.00 0.00 H new ATOM 0 HG LEU B 118 12.459 6.391 -0.213 1.00 0.00 H new ATOM 0 HD11 LEU B 118 11.593 4.692 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU B 118 12.461 6.001 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU B 118 13.243 4.419 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU B 118 12.274 3.921 0.401 1.00 0.00 H new ATOM 0 HD22 LEU B 118 13.971 3.705 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU B 118 13.575 4.724 1.312 1.00 0.00 H new ATOM 1523 N GLN B 119 15.246 6.716 -3.669 1.00 0.00 N ATOM 1524 CA GLN B 119 15.153 6.412 -5.110 1.00 0.00 C ATOM 1525 C GLN B 119 14.775 4.945 -5.393 1.00 0.00 C ATOM 1526 O GLN B 119 14.815 4.088 -4.507 1.00 0.00 O ATOM 1527 CB GLN B 119 16.455 6.829 -5.822 1.00 0.00 C ATOM 1528 CG GLN B 119 17.724 6.072 -5.369 1.00 0.00 C ATOM 1529 CD GLN B 119 18.793 6.934 -4.680 1.00 0.00 C ATOM 1530 OE1 GLN B 119 19.991 6.734 -4.866 1.00 0.00 O ATOM 1531 NE2 GLN B 119 18.444 7.939 -3.898 1.00 0.00 N ATOM 0 H GLN B 119 16.037 6.255 -3.219 1.00 0.00 H new ATOM 0 HA GLN B 119 14.332 7.001 -5.520 1.00 0.00 H new ATOM 0 HB2 GLN B 119 16.327 6.682 -6.894 1.00 0.00 H new ATOM 0 HB3 GLN B 119 16.612 7.896 -5.663 1.00 0.00 H new ATOM 0 HG2 GLN B 119 17.428 5.276 -4.686 1.00 0.00 H new ATOM 0 HG3 GLN B 119 18.172 5.594 -6.240 1.00 0.00 H new ATOM 0 HE21 GLN B 119 17.457 8.131 -3.724 1.00 0.00 H new ATOM 0 HE22 GLN B 119 19.161 8.523 -3.468 1.00 0.00 H new ATOM 1540 N ASP B 120 14.423 4.621 -6.638 1.00 0.00 N ATOM 1541 CA ASP B 120 13.946 3.285 -7.038 1.00 0.00 C ATOM 1542 C ASP B 120 14.971 2.145 -6.858 1.00 0.00 C ATOM 1543 O ASP B 120 14.571 0.994 -6.660 1.00 0.00 O ATOM 1544 CB ASP B 120 13.406 3.301 -8.481 1.00 0.00 C ATOM 1545 CG ASP B 120 14.400 3.696 -9.595 1.00 0.00 C ATOM 1546 OD1 ASP B 120 14.054 3.504 -10.787 1.00 0.00 O ATOM 1547 OD2 ASP B 120 15.507 4.227 -9.318 1.00 0.00 O1- ATOM 0 H ASP B 120 14.460 5.284 -7.412 1.00 0.00 H new ATOM 0 HA ASP B 120 13.138 3.059 -6.342 1.00 0.00 H new ATOM 0 HB2 ASP B 120 13.018 2.308 -8.709 1.00 0.00 H new ATOM 0 HB3 ASP B 120 12.562 3.990 -8.520 1.00 0.00 H new ATOM 1552 N ASP B 121 16.270 2.442 -6.837 1.00 0.00 N ATOM 1553 CA ASP B 121 17.315 1.478 -6.456 1.00 0.00 C ATOM 1554 C ASP B 121 17.210 1.050 -4.977 1.00 0.00 C ATOM 1555 O ASP B 121 17.496 -0.107 -4.647 1.00 0.00 O ATOM 1556 CB ASP B 121 18.708 2.072 -6.725 1.00 0.00 C ATOM 1557 CG ASP B 121 19.014 2.326 -8.217 1.00 0.00 C ATOM 1558 OD1 ASP B 121 18.524 1.580 -9.103 1.00 0.00 O ATOM 1559 OD2 ASP B 121 19.808 3.251 -8.509 1.00 0.00 O1- ATOM 0 H ASP B 121 16.634 3.362 -7.084 1.00 0.00 H new ATOM 0 HA ASP B 121 17.166 0.588 -7.067 1.00 0.00 H new ATOM 0 HB2 ASP B 121 18.800 3.013 -6.182 1.00 0.00 H new ATOM 0 HB3 ASP B 121 19.462 1.396 -6.322 1.00 0.00 H new ATOM 1564 N ASP B 122 16.759 1.936 -4.084 1.00 0.00 N ATOM 1565 CA ASP B 122 16.518 1.631 -2.665 1.00 0.00 C ATOM 1566 C ASP B 122 15.210 0.850 -2.457 1.00 0.00 C ATOM 1567 O ASP B 122 15.148 -0.014 -1.580 1.00 0.00 O ATOM 1568 CB ASP B 122 16.516 2.924 -1.832 1.00 0.00 C ATOM 1569 CG ASP B 122 17.783 3.779 -1.987 1.00 0.00 C ATOM 1570 OD1 ASP B 122 18.906 3.220 -2.024 1.00 0.00 O ATOM 1571 OD2 ASP B 122 17.660 5.025 -2.030 1.00 0.00 O1- ATOM 0 H ASP B 122 16.547 2.903 -4.328 1.00 0.00 H new ATOM 0 HA ASP B 122 17.333 0.992 -2.325 1.00 0.00 H new ATOM 0 HB2 ASP B 122 15.651 3.523 -2.115 1.00 0.00 H new ATOM 0 HB3 ASP B 122 16.394 2.665 -0.780 1.00 0.00 H new ATOM 1576 N LEU B 123 14.191 1.095 -3.293 1.00 0.00 N ATOM 1577 CA LEU B 123 12.982 0.264 -3.351 1.00 0.00 C ATOM 1578 C LEU B 123 13.336 -1.164 -3.783 1.00 0.00 C ATOM 1579 O LEU B 123 13.022 -2.111 -3.062 1.00 0.00 O ATOM 1580 CB LEU B 123 11.916 0.877 -4.290 1.00 0.00 C ATOM 1581 CG LEU B 123 11.389 2.250 -3.835 1.00 0.00 C ATOM 1582 CD1 LEU B 123 10.496 2.886 -4.897 1.00 0.00 C ATOM 1583 CD2 LEU B 123 10.551 2.143 -2.561 1.00 0.00 C ATOM 0 H LEU B 123 14.183 1.876 -3.949 1.00 0.00 H new ATOM 0 HA LEU B 123 12.551 0.228 -2.350 1.00 0.00 H new ATOM 0 HB2 LEU B 123 12.342 0.976 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU B 123 11.077 0.186 -4.369 1.00 0.00 H new ATOM 0 HG LEU B 123 12.275 2.860 -3.658 1.00 0.00 H new ATOM 0 HD11 LEU B 123 10.142 3.854 -4.542 1.00 0.00 H new ATOM 0 HD12 LEU B 123 11.065 3.023 -5.817 1.00 0.00 H new ATOM 0 HD13 LEU B 123 9.643 2.236 -5.091 1.00 0.00 H new ATOM 0 HD21 LEU B 123 10.198 3.133 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU B 123 9.696 1.491 -2.742 1.00 0.00 H new ATOM 0 HD23 LEU B 123 11.161 1.728 -1.758 1.00 0.00 H new ATOM 1595 N ALA B 124 14.061 -1.336 -4.892 1.00 0.00 N ATOM 1596 CA ALA B 124 14.497 -2.645 -5.383 1.00 0.00 C ATOM 1597 C ALA B 124 15.358 -3.418 -4.361 1.00 0.00 C ATOM 1598 O ALA B 124 15.238 -4.644 -4.262 1.00 0.00 O ATOM 1599 CB ALA B 124 15.236 -2.444 -6.710 1.00 0.00 C ATOM 0 H ALA B 124 14.365 -0.560 -5.481 1.00 0.00 H new ATOM 0 HA ALA B 124 13.616 -3.267 -5.539 1.00 0.00 H new ATOM 0 HB1 ALA B 124 15.569 -3.410 -7.091 1.00 0.00 H new ATOM 0 HB2 ALA B 124 14.565 -1.980 -7.433 1.00 0.00 H new ATOM 0 HB3 ALA B 124 16.101 -1.799 -6.551 1.00 0.00 H new ATOM 1605 N ALA B 125 16.175 -2.718 -3.567 1.00 0.00 N ATOM 1606 CA ALA B 125 17.017 -3.317 -2.528 1.00 0.00 C ATOM 1607 C ALA B 125 16.233 -3.960 -1.361 1.00 0.00 C ATOM 1608 O ALA B 125 16.768 -4.852 -0.697 1.00 0.00 O ATOM 1609 CB ALA B 125 17.990 -2.244 -2.018 1.00 0.00 C ATOM 0 H ALA B 125 16.271 -1.704 -3.630 1.00 0.00 H new ATOM 0 HA ALA B 125 17.556 -4.148 -2.982 1.00 0.00 H new ATOM 0 HB1 ALA B 125 18.627 -2.670 -1.243 1.00 0.00 H new ATOM 0 HB2 ALA B 125 18.609 -1.892 -2.843 1.00 0.00 H new ATOM 0 HB3 ALA B 125 17.426 -1.408 -1.605 1.00 0.00 H new ATOM 1615 N LEU B 126 14.973 -3.557 -1.113 1.00 0.00 N ATOM 1616 CA LEU B 126 14.128 -4.107 -0.033 1.00 0.00 C ATOM 1617 C LEU B 126 12.882 -4.873 -0.529 1.00 0.00 C ATOM 1618 O LEU B 126 12.424 -5.792 0.153 1.00 0.00 O ATOM 1619 CB LEU B 126 13.828 -3.002 1.007 1.00 0.00 C ATOM 1620 CG LEU B 126 12.658 -2.046 0.679 1.00 0.00 C ATOM 1621 CD1 LEU B 126 11.351 -2.505 1.329 1.00 0.00 C ATOM 1622 CD2 LEU B 126 12.937 -0.639 1.214 1.00 0.00 C ATOM 0 H LEU B 126 14.507 -2.834 -1.661 1.00 0.00 H new ATOM 0 HA LEU B 126 14.696 -4.889 0.470 1.00 0.00 H new ATOM 0 HB2 LEU B 126 13.619 -3.481 1.963 1.00 0.00 H new ATOM 0 HB3 LEU B 126 14.730 -2.405 1.140 1.00 0.00 H new ATOM 0 HG LEU B 126 12.565 -2.047 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU B 126 10.553 -1.807 1.075 1.00 0.00 H new ATOM 0 HD12 LEU B 126 11.093 -3.499 0.965 1.00 0.00 H new ATOM 0 HD13 LEU B 126 11.474 -2.536 2.412 1.00 0.00 H new ATOM 0 HD21 LEU B 126 12.100 0.015 0.971 1.00 0.00 H new ATOM 0 HD22 LEU B 126 13.064 -0.680 2.296 1.00 0.00 H new ATOM 0 HD23 LEU B 126 13.847 -0.250 0.757 1.00 0.00 H new ATOM 1634 N LEU B 127 12.370 -4.563 -1.727 1.00 0.00 N ATOM 1635 CA LEU B 127 11.324 -5.339 -2.411 1.00 0.00 C ATOM 1636 C LEU B 127 11.867 -6.660 -2.993 1.00 0.00 C ATOM 1637 O LEU B 127 11.159 -7.671 -2.985 1.00 0.00 O ATOM 1638 CB LEU B 127 10.696 -4.494 -3.535 1.00 0.00 C ATOM 1639 CG LEU B 127 9.508 -3.615 -3.110 1.00 0.00 C ATOM 1640 CD1 LEU B 127 9.752 -2.709 -1.901 1.00 0.00 C ATOM 1641 CD2 LEU B 127 9.088 -2.726 -4.280 1.00 0.00 C ATOM 0 H LEU B 127 12.677 -3.749 -2.260 1.00 0.00 H new ATOM 0 HA LEU B 127 10.567 -5.593 -1.669 1.00 0.00 H new ATOM 0 HB2 LEU B 127 11.468 -3.852 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU B 127 10.366 -5.163 -4.329 1.00 0.00 H new ATOM 0 HG LEU B 127 8.735 -4.324 -2.813 1.00 0.00 H new ATOM 0 HD11 LEU B 127 8.850 -2.134 -1.689 1.00 0.00 H new ATOM 0 HD12 LEU B 127 10.006 -3.319 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU B 127 10.574 -2.027 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU B 127 8.246 -2.103 -3.979 1.00 0.00 H new ATOM 0 HD22 LEU B 127 9.924 -2.090 -4.572 1.00 0.00 H new ATOM 0 HD23 LEU B 127 8.794 -3.350 -5.124 1.00 0.00 H new ATOM 1653 N GLY B 128 13.105 -6.664 -3.497 1.00 0.00 N ATOM 1654 CA GLY B 128 13.766 -7.852 -4.050 1.00 0.00 C ATOM 1655 C GLY B 128 12.992 -8.491 -5.213 1.00 0.00 C ATOM 1656 O GLY B 128 12.489 -7.789 -6.096 1.00 0.00 O ATOM 0 H GLY B 128 13.687 -5.827 -3.533 1.00 0.00 H new ATOM 0 HA2 GLY B 128 14.763 -7.578 -4.394 1.00 0.00 H new ATOM 0 HA3 GLY B 128 13.893 -8.590 -3.258 1.00 0.00 H new ATOM 1660 N LYS B 129 12.866 -9.821 -5.222 1.00 0.00 N ATOM 1661 CA LYS B 129 12.129 -10.578 -6.254 1.00 0.00 C ATOM 1662 C LYS B 129 10.612 -10.321 -6.300 1.00 0.00 C ATOM 1663 O LYS B 129 9.989 -10.601 -7.328 1.00 0.00 O ATOM 1664 CB LYS B 129 12.486 -12.083 -6.203 1.00 0.00 C ATOM 1665 CG LYS B 129 12.038 -12.892 -4.971 1.00 0.00 C ATOM 1666 CD LYS B 129 12.776 -12.543 -3.666 1.00 0.00 C ATOM 1667 CE LYS B 129 12.555 -13.581 -2.558 1.00 0.00 C ATOM 1668 NZ LYS B 129 11.162 -13.576 -2.055 1.00 0.00 N1+ ATOM 0 H LYS B 129 13.277 -10.417 -4.504 1.00 0.00 H new ATOM 0 HA LYS B 129 12.477 -10.180 -7.207 1.00 0.00 H new ATOM 0 HB2 LYS B 129 12.059 -12.557 -7.087 1.00 0.00 H new ATOM 0 HB3 LYS B 129 13.569 -12.172 -6.285 1.00 0.00 H new ATOM 0 HG2 LYS B 129 10.970 -12.736 -4.820 1.00 0.00 H new ATOM 0 HG3 LYS B 129 12.179 -13.953 -5.179 1.00 0.00 H new ATOM 0 HD2 LYS B 129 13.843 -12.459 -3.870 1.00 0.00 H new ATOM 0 HD3 LYS B 129 12.440 -11.567 -3.315 1.00 0.00 H new ATOM 0 HE2 LYS B 129 12.798 -14.573 -2.938 1.00 0.00 H new ATOM 0 HE3 LYS B 129 13.238 -13.380 -1.733 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 11.145 -13.927 -1.076 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 10.787 -12.606 -2.081 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 10.575 -14.191 -2.654 1.00 0.00 H new ATOM 1682 N GLU B 130 10.017 -9.744 -5.254 1.00 0.00 N ATOM 1683 CA GLU B 130 8.632 -9.236 -5.261 1.00 0.00 C ATOM 1684 C GLU B 130 8.481 -7.814 -5.852 1.00 0.00 C ATOM 1685 O GLU B 130 7.363 -7.296 -5.910 1.00 0.00 O ATOM 1686 CB GLU B 130 8.028 -9.288 -3.839 1.00 0.00 C ATOM 1687 CG GLU B 130 7.583 -10.685 -3.374 1.00 0.00 C ATOM 1688 CD GLU B 130 8.743 -11.657 -3.104 1.00 0.00 C ATOM 1689 OE1 GLU B 130 9.733 -11.263 -2.444 1.00 0.00 O ATOM 1690 OE2 GLU B 130 8.660 -12.838 -3.527 1.00 0.00 O1- ATOM 0 H GLU B 130 10.488 -9.611 -4.359 1.00 0.00 H new ATOM 0 HA GLU B 130 8.080 -9.899 -5.926 1.00 0.00 H new ATOM 0 HB2 GLU B 130 8.764 -8.904 -3.133 1.00 0.00 H new ATOM 0 HB3 GLU B 130 7.169 -8.618 -3.800 1.00 0.00 H new ATOM 0 HG2 GLU B 130 6.991 -10.582 -2.465 1.00 0.00 H new ATOM 0 HG3 GLU B 130 6.930 -11.117 -4.132 1.00 0.00 H new ATOM 1697 N PHE B 131 9.564 -7.176 -6.329 1.00 0.00 N ATOM 1698 CA PHE B 131 9.497 -5.898 -7.057 1.00 0.00 C ATOM 1699 C PHE B 131 8.523 -5.981 -8.252 1.00 0.00 C ATOM 1700 O PHE B 131 8.443 -7.010 -8.933 1.00 0.00 O ATOM 1701 CB PHE B 131 10.904 -5.452 -7.494 1.00 0.00 C ATOM 1702 CG PHE B 131 10.979 -4.091 -8.169 1.00 0.00 C ATOM 1703 CD1 PHE B 131 11.332 -2.950 -7.421 1.00 0.00 C ATOM 1704 CD2 PHE B 131 10.713 -3.967 -9.545 1.00 0.00 C ATOM 1705 CE1 PHE B 131 11.438 -1.698 -8.052 1.00 0.00 C ATOM 1706 CE2 PHE B 131 10.787 -2.712 -10.171 1.00 0.00 C ATOM 1707 CZ PHE B 131 11.161 -1.580 -9.427 1.00 0.00 C ATOM 0 H PHE B 131 10.513 -7.534 -6.220 1.00 0.00 H new ATOM 0 HA PHE B 131 9.103 -5.140 -6.381 1.00 0.00 H new ATOM 0 HB2 PHE B 131 11.551 -5.439 -6.617 1.00 0.00 H new ATOM 0 HB3 PHE B 131 11.307 -6.200 -8.177 1.00 0.00 H new ATOM 0 HD1 PHE B 131 11.521 -3.037 -6.361 1.00 0.00 H new ATOM 0 HD2 PHE B 131 10.451 -4.841 -10.123 1.00 0.00 H new ATOM 0 HE1 PHE B 131 11.731 -0.828 -7.483 1.00 0.00 H new ATOM 0 HE2 PHE B 131 10.557 -2.617 -11.222 1.00 0.00 H new ATOM 0 HZ PHE B 131 11.236 -0.618 -9.911 1.00 0.00 H new ATOM 1717 N ILE B 132 7.760 -4.903 -8.474 1.00 0.00 N ATOM 1718 CA ILE B 132 6.586 -4.910 -9.359 1.00 0.00 C ATOM 1719 C ILE B 132 6.925 -5.231 -10.825 1.00 0.00 C ATOM 1720 O ILE B 132 8.021 -4.949 -11.318 1.00 0.00 O ATOM 1721 CB ILE B 132 5.776 -3.595 -9.199 1.00 0.00 C ATOM 1722 CG1 ILE B 132 4.256 -3.818 -9.366 1.00 0.00 C ATOM 1723 CG2 ILE B 132 6.227 -2.509 -10.194 1.00 0.00 C ATOM 1724 CD1 ILE B 132 3.605 -4.582 -8.203 1.00 0.00 C ATOM 0 H ILE B 132 7.940 -3.996 -8.043 1.00 0.00 H new ATOM 0 HA ILE B 132 5.948 -5.735 -9.041 1.00 0.00 H new ATOM 0 HB ILE B 132 5.977 -3.256 -8.183 1.00 0.00 H new ATOM 0 HG12 ILE B 132 3.766 -2.850 -9.470 1.00 0.00 H new ATOM 0 HG13 ILE B 132 4.079 -4.366 -10.291 1.00 0.00 H new ATOM 0 HG21 ILE B 132 5.632 -1.608 -10.044 1.00 0.00 H new ATOM 0 HG22 ILE B 132 7.280 -2.280 -10.030 1.00 0.00 H new ATOM 0 HG23 ILE B 132 6.089 -2.869 -11.213 1.00 0.00 H new ATOM 0 HD11 ILE B 132 2.538 -4.698 -8.395 1.00 0.00 H new ATOM 0 HD12 ILE B 132 4.066 -5.565 -8.110 1.00 0.00 H new ATOM 0 HD13 ILE B 132 3.748 -4.026 -7.277 1.00 0.00 H new ATOM 1993 N TRP B 156 -5.659 13.375 9.611 1.00 0.00 N ATOM 1994 CA TRP B 156 -4.563 12.399 9.569 1.00 0.00 C ATOM 1995 C TRP B 156 -4.829 11.299 8.532 1.00 0.00 C ATOM 1996 O TRP B 156 -3.938 10.949 7.753 1.00 0.00 O ATOM 1997 CB TRP B 156 -4.357 11.810 10.978 1.00 0.00 C ATOM 1998 CG TRP B 156 -5.543 11.138 11.611 1.00 0.00 C ATOM 1999 CD1 TRP B 156 -6.413 11.737 12.460 1.00 0.00 C ATOM 2000 CD2 TRP B 156 -6.033 9.763 11.457 1.00 0.00 C ATOM 2001 NE1 TRP B 156 -7.419 10.857 12.802 1.00 0.00 N ATOM 2002 CE2 TRP B 156 -7.253 9.633 12.194 1.00 0.00 C ATOM 2003 CE3 TRP B 156 -5.593 8.615 10.756 1.00 0.00 C ATOM 2004 CZ2 TRP B 156 -8.013 8.454 12.190 1.00 0.00 C ATOM 2005 CZ3 TRP B 156 -6.337 7.420 10.764 1.00 0.00 C ATOM 2006 CH2 TRP B 156 -7.558 7.344 11.461 1.00 0.00 C ATOM 0 HA TRP B 156 -3.648 12.904 9.258 1.00 0.00 H new ATOM 0 HB2 TRP B 156 -3.543 11.087 10.928 1.00 0.00 H new ATOM 0 HB3 TRP B 156 -4.030 12.614 11.638 1.00 0.00 H new ATOM 0 HD1 TRP B 156 -6.331 12.753 12.816 1.00 0.00 H new ATOM 0 HE1 TRP B 156 -8.191 11.085 13.428 1.00 0.00 H new ATOM 0 HE3 TRP B 156 -4.666 8.657 10.203 1.00 0.00 H new ATOM 0 HZ2 TRP B 156 -8.939 8.401 12.743 1.00 0.00 H new ATOM 0 HZ3 TRP B 156 -5.969 6.555 10.232 1.00 0.00 H new ATOM 0 HH2 TRP B 156 -8.142 6.436 11.435 1.00 0.00 H new ATOM 2017 N LYS B 157 -6.073 10.808 8.466 1.00 0.00 N ATOM 2018 CA LYS B 157 -6.541 9.818 7.485 1.00 0.00 C ATOM 2019 C LYS B 157 -6.529 10.362 6.055 1.00 0.00 C ATOM 2020 O LYS B 157 -6.140 9.650 5.130 1.00 0.00 O ATOM 2021 CB LYS B 157 -7.936 9.297 7.901 1.00 0.00 C ATOM 2022 CG LYS B 157 -9.021 10.383 7.987 1.00 0.00 C ATOM 2023 CD LYS B 157 -10.386 9.831 8.413 1.00 0.00 C ATOM 2024 CE LYS B 157 -11.420 10.951 8.627 1.00 0.00 C ATOM 2025 NZ LYS B 157 -11.670 11.753 7.401 1.00 0.00 N1+ ATOM 0 H LYS B 157 -6.806 11.097 9.114 1.00 0.00 H new ATOM 0 HA LYS B 157 -5.844 8.980 7.483 1.00 0.00 H new ATOM 0 HB2 LYS B 157 -8.255 8.538 7.186 1.00 0.00 H new ATOM 0 HB3 LYS B 157 -7.853 8.806 8.871 1.00 0.00 H new ATOM 0 HG2 LYS B 157 -8.707 11.148 8.697 1.00 0.00 H new ATOM 0 HG3 LYS B 157 -9.118 10.870 7.017 1.00 0.00 H new ATOM 0 HD2 LYS B 157 -10.751 9.141 7.652 1.00 0.00 H new ATOM 0 HD3 LYS B 157 -10.274 9.260 9.335 1.00 0.00 H new ATOM 0 HE2 LYS B 157 -12.359 10.512 8.965 1.00 0.00 H new ATOM 0 HE3 LYS B 157 -11.073 11.611 9.422 1.00 0.00 H new ATOM 0 HZ1 LYS B 157 -12.468 12.400 7.566 1.00 0.00 H new ATOM 0 HZ2 LYS B 157 -10.820 12.304 7.168 1.00 0.00 H new ATOM 0 HZ3 LYS B 157 -11.898 11.117 6.610 1.00 0.00 H new ATOM 2039 N ASP B 158 -6.922 11.624 5.876 1.00 0.00 N ATOM 2040 CA ASP B 158 -7.031 12.281 4.570 1.00 0.00 C ATOM 2041 C ASP B 158 -5.659 12.648 3.982 1.00 0.00 C ATOM 2042 O ASP B 158 -5.413 12.414 2.801 1.00 0.00 O ATOM 2043 CB ASP B 158 -7.936 13.514 4.689 1.00 0.00 C ATOM 2044 CG ASP B 158 -9.306 13.172 5.291 1.00 0.00 C ATOM 2045 OD1 ASP B 158 -9.516 13.393 6.509 1.00 0.00 O ATOM 2046 OD2 ASP B 158 -10.182 12.645 4.561 1.00 0.00 O1- ATOM 0 H ASP B 158 -7.180 12.233 6.653 1.00 0.00 H new ATOM 0 HA ASP B 158 -7.480 11.574 3.873 1.00 0.00 H new ATOM 0 HB2 ASP B 158 -7.445 14.264 5.309 1.00 0.00 H new ATOM 0 HB3 ASP B 158 -8.075 13.957 3.703 1.00 0.00 H new ATOM 2051 N ASP B 159 -4.738 13.157 4.803 1.00 0.00 N ATOM 2052 CA ASP B 159 -3.351 13.460 4.417 1.00 0.00 C ATOM 2053 C ASP B 159 -2.585 12.181 4.016 1.00 0.00 C ATOM 2054 O ASP B 159 -1.909 12.150 2.984 1.00 0.00 O ATOM 2055 CB ASP B 159 -2.684 14.195 5.590 1.00 0.00 C ATOM 2056 CG ASP B 159 -1.277 14.727 5.271 1.00 0.00 C ATOM 2057 OD1 ASP B 159 -0.307 13.936 5.287 1.00 0.00 O ATOM 2058 OD2 ASP B 159 -1.139 15.948 5.034 1.00 0.00 O1- ATOM 0 H ASP B 159 -4.937 13.377 5.779 1.00 0.00 H new ATOM 0 HA ASP B 159 -3.337 14.100 3.535 1.00 0.00 H new ATOM 0 HB2 ASP B 159 -3.318 15.029 5.891 1.00 0.00 H new ATOM 0 HB3 ASP B 159 -2.622 13.518 6.442 1.00 0.00 H new ATOM 2063 N TYR B 160 -2.765 11.100 4.784 1.00 0.00 N ATOM 2064 CA TYR B 160 -2.213 9.772 4.501 1.00 0.00 C ATOM 2065 C TYR B 160 -2.793 9.166 3.215 1.00 0.00 C ATOM 2066 O TYR B 160 -2.036 8.776 2.328 1.00 0.00 O ATOM 2067 CB TYR B 160 -2.471 8.894 5.730 1.00 0.00 C ATOM 2068 CG TYR B 160 -1.928 7.481 5.676 1.00 0.00 C ATOM 2069 CD1 TYR B 160 -0.539 7.253 5.744 1.00 0.00 C ATOM 2070 CD2 TYR B 160 -2.819 6.392 5.646 1.00 0.00 C ATOM 2071 CE1 TYR B 160 -0.042 5.935 5.799 1.00 0.00 C ATOM 2072 CE2 TYR B 160 -2.323 5.075 5.702 1.00 0.00 C ATOM 2073 CZ TYR B 160 -0.934 4.838 5.798 1.00 0.00 C ATOM 2074 OH TYR B 160 -0.452 3.577 5.930 1.00 0.00 O ATOM 0 H TYR B 160 -3.314 11.127 5.643 1.00 0.00 H new ATOM 0 HA TYR B 160 -1.141 9.844 4.318 1.00 0.00 H new ATOM 0 HB2 TYR B 160 -2.043 9.391 6.601 1.00 0.00 H new ATOM 0 HB3 TYR B 160 -3.548 8.840 5.891 1.00 0.00 H new ATOM 0 HD1 TYR B 160 0.145 8.089 5.754 1.00 0.00 H new ATOM 0 HD2 TYR B 160 -3.883 6.566 5.580 1.00 0.00 H new ATOM 0 HE1 TYR B 160 1.023 5.763 5.842 1.00 0.00 H new ATOM 0 HE2 TYR B 160 -3.009 4.241 5.671 1.00 0.00 H new ATOM 0 HH TYR B 160 -1.199 2.947 6.005 1.00 0.00 H new ATOM 2084 N LEU B 161 -4.120 9.156 3.049 1.00 0.00 N ATOM 2085 CA LEU B 161 -4.794 8.667 1.842 1.00 0.00 C ATOM 2086 C LEU B 161 -4.388 9.441 0.576 1.00 0.00 C ATOM 2087 O LEU B 161 -4.132 8.832 -0.464 1.00 0.00 O ATOM 2088 CB LEU B 161 -6.308 8.731 2.097 1.00 0.00 C ATOM 2089 CG LEU B 161 -7.191 8.322 0.905 1.00 0.00 C ATOM 2090 CD1 LEU B 161 -6.976 6.871 0.467 1.00 0.00 C ATOM 2091 CD2 LEU B 161 -8.654 8.516 1.297 1.00 0.00 C ATOM 0 H LEU B 161 -4.767 9.493 3.762 1.00 0.00 H new ATOM 0 HA LEU B 161 -4.488 7.639 1.648 1.00 0.00 H new ATOM 0 HB2 LEU B 161 -6.545 8.086 2.943 1.00 0.00 H new ATOM 0 HB3 LEU B 161 -6.568 9.748 2.389 1.00 0.00 H new ATOM 0 HG LEU B 161 -6.914 8.952 0.059 1.00 0.00 H new ATOM 0 HD11 LEU B 161 -7.628 6.645 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU B 161 -5.937 6.731 0.170 1.00 0.00 H new ATOM 0 HD13 LEU B 161 -7.210 6.202 1.295 1.00 0.00 H new ATOM 0 HD21 LEU B 161 -9.295 8.231 0.463 1.00 0.00 H new ATOM 0 HD22 LEU B 161 -8.885 7.893 2.162 1.00 0.00 H new ATOM 0 HD23 LEU B 161 -8.828 9.563 1.547 1.00 0.00 H new ATOM 2103 N SER B 162 -4.266 10.769 0.665 1.00 0.00 N ATOM 2104 CA SER B 162 -3.811 11.618 -0.452 1.00 0.00 C ATOM 2105 C SER B 162 -2.373 11.290 -0.875 1.00 0.00 C ATOM 2106 O SER B 162 -2.100 11.177 -2.073 1.00 0.00 O ATOM 2107 CB SER B 162 -3.889 13.105 -0.081 1.00 0.00 C ATOM 2108 OG SER B 162 -5.221 13.491 0.211 1.00 0.00 O ATOM 0 H SER B 162 -4.480 11.292 1.514 1.00 0.00 H new ATOM 0 HA SER B 162 -4.479 11.410 -1.288 1.00 0.00 H new ATOM 0 HB2 SER B 162 -3.253 13.301 0.782 1.00 0.00 H new ATOM 0 HB3 SER B 162 -3.505 13.708 -0.903 1.00 0.00 H new ATOM 0 HG SER B 162 -5.461 13.183 1.110 1.00 0.00 H new ATOM 2114 N ARG B 163 -1.464 11.092 0.094 1.00 0.00 N ATOM 2115 CA ARG B 163 -0.076 10.666 -0.145 1.00 0.00 C ATOM 2116 C ARG B 163 -0.013 9.284 -0.795 1.00 0.00 C ATOM 2117 O ARG B 163 0.604 9.132 -1.847 1.00 0.00 O ATOM 2118 CB ARG B 163 0.682 10.711 1.191 1.00 0.00 C ATOM 2119 CG ARG B 163 2.152 10.273 1.099 1.00 0.00 C ATOM 2120 CD ARG B 163 2.872 10.327 2.454 1.00 0.00 C ATOM 2121 NE ARG B 163 2.999 11.701 2.963 1.00 0.00 N ATOM 2122 CZ ARG B 163 2.162 12.355 3.749 1.00 0.00 C ATOM 2123 NH1 ARG B 163 1.153 11.786 4.337 1.00 0.00 N1+ ATOM 2124 NH2 ARG B 163 2.296 13.625 3.965 1.00 0.00 N ATOM 0 H ARG B 163 -1.677 11.226 1.082 1.00 0.00 H new ATOM 0 HA ARG B 163 0.400 11.347 -0.851 1.00 0.00 H new ATOM 0 HB2 ARG B 163 0.642 11.727 1.584 1.00 0.00 H new ATOM 0 HB3 ARG B 163 0.169 10.071 1.908 1.00 0.00 H new ATOM 0 HG2 ARG B 163 2.200 9.257 0.707 1.00 0.00 H new ATOM 0 HG3 ARG B 163 2.674 10.914 0.389 1.00 0.00 H new ATOM 0 HD2 ARG B 163 2.325 9.723 3.178 1.00 0.00 H new ATOM 0 HD3 ARG B 163 3.864 9.886 2.354 1.00 0.00 H new ATOM 0 HE ARG B 163 3.834 12.211 2.674 1.00 0.00 H new ATOM 0 HH11 ARG B 163 0.979 10.790 4.201 1.00 0.00 H new ATOM 0 HH12 ARG B 163 0.535 12.335 4.935 1.00 0.00 H new ATOM 0 HH21 ARG B 163 3.059 14.139 3.525 1.00 0.00 H new ATOM 0 HH22 ARG B 163 1.639 14.111 4.575 1.00 0.00 H new ATOM 2138 N LEU B 164 -0.707 8.296 -0.230 1.00 0.00 N ATOM 2139 CA LEU B 164 -0.730 6.920 -0.745 1.00 0.00 C ATOM 2140 C LEU B 164 -1.323 6.836 -2.166 1.00 0.00 C ATOM 2141 O LEU B 164 -0.826 6.075 -2.995 1.00 0.00 O ATOM 2142 CB LEU B 164 -1.473 6.023 0.266 1.00 0.00 C ATOM 2143 CG LEU B 164 -0.547 5.374 1.314 1.00 0.00 C ATOM 2144 CD1 LEU B 164 0.221 6.342 2.213 1.00 0.00 C ATOM 2145 CD2 LEU B 164 -1.373 4.446 2.199 1.00 0.00 C ATOM 0 H LEU B 164 -1.276 8.426 0.607 1.00 0.00 H new ATOM 0 HA LEU B 164 0.293 6.559 -0.847 1.00 0.00 H new ATOM 0 HB2 LEU B 164 -2.228 6.618 0.780 1.00 0.00 H new ATOM 0 HB3 LEU B 164 -2.000 5.238 -0.276 1.00 0.00 H new ATOM 0 HG LEU B 164 0.211 4.846 0.735 1.00 0.00 H new ATOM 0 HD11 LEU B 164 0.840 5.778 2.911 1.00 0.00 H new ATOM 0 HD12 LEU B 164 0.856 6.982 1.600 1.00 0.00 H new ATOM 0 HD13 LEU B 164 -0.484 6.958 2.770 1.00 0.00 H new ATOM 0 HD21 LEU B 164 -0.726 3.982 2.944 1.00 0.00 H new ATOM 0 HD22 LEU B 164 -2.151 5.020 2.702 1.00 0.00 H new ATOM 0 HD23 LEU B 164 -1.833 3.672 1.585 1.00 0.00 H new ATOM 2157 N SER B 165 -2.326 7.665 -2.482 1.00 0.00 N ATOM 2158 CA SER B 165 -2.867 7.807 -3.844 1.00 0.00 C ATOM 2159 C SER B 165 -1.832 8.353 -4.846 1.00 0.00 C ATOM 2160 O SER B 165 -1.792 7.926 -6.002 1.00 0.00 O ATOM 2161 CB SER B 165 -4.125 8.687 -3.804 1.00 0.00 C ATOM 2162 OG SER B 165 -4.711 8.798 -5.090 1.00 0.00 O ATOM 0 H SER B 165 -2.790 8.261 -1.796 1.00 0.00 H new ATOM 0 HA SER B 165 -3.130 6.812 -4.204 1.00 0.00 H new ATOM 0 HB2 SER B 165 -4.848 8.262 -3.107 1.00 0.00 H new ATOM 0 HB3 SER B 165 -3.867 9.678 -3.431 1.00 0.00 H new ATOM 0 HG SER B 165 -5.674 8.629 -5.026 1.00 0.00 H new ATOM 2168 N ARG B 166 -0.946 9.261 -4.416 1.00 0.00 N ATOM 2169 CA ARG B 166 0.095 9.888 -5.263 1.00 0.00 C ATOM 2170 C ARG B 166 1.382 9.065 -5.390 1.00 0.00 C ATOM 2171 O ARG B 166 2.005 9.084 -6.452 1.00 0.00 O ATOM 2172 CB ARG B 166 0.366 11.312 -4.743 1.00 0.00 C ATOM 2173 CG ARG B 166 -0.822 12.233 -5.084 1.00 0.00 C ATOM 2174 CD ARG B 166 -0.859 13.494 -4.213 1.00 0.00 C ATOM 2175 NE ARG B 166 -2.042 14.328 -4.524 1.00 0.00 N ATOM 2176 CZ ARG B 166 -3.308 14.052 -4.248 1.00 0.00 C ATOM 2177 NH1 ARG B 166 -3.671 12.967 -3.636 1.00 0.00 N1+ ATOM 2178 NH2 ARG B 166 -4.273 14.857 -4.584 1.00 0.00 N ATOM 0 H ARG B 166 -0.927 9.592 -3.451 1.00 0.00 H new ATOM 0 HA ARG B 166 -0.290 9.932 -6.282 1.00 0.00 H new ATOM 0 HB2 ARG B 166 0.522 11.291 -3.664 1.00 0.00 H new ATOM 0 HB3 ARG B 166 1.280 11.703 -5.190 1.00 0.00 H new ATOM 0 HG2 ARG B 166 -0.763 12.522 -6.133 1.00 0.00 H new ATOM 0 HG3 ARG B 166 -1.753 11.681 -4.957 1.00 0.00 H new ATOM 0 HD2 ARG B 166 -0.877 13.211 -3.160 1.00 0.00 H new ATOM 0 HD3 ARG B 166 0.050 14.075 -4.371 1.00 0.00 H new ATOM 0 HE ARG B 166 -1.863 15.211 -5.003 1.00 0.00 H new ATOM 0 HH11 ARG B 166 -2.969 12.285 -3.347 1.00 0.00 H new ATOM 0 HH12 ARG B 166 -4.658 12.796 -3.444 1.00 0.00 H new ATOM 0 HH21 ARG B 166 -4.064 15.727 -5.073 1.00 0.00 H new ATOM 0 HH22 ARG B 166 -5.239 14.618 -4.358 1.00 0.00 H new ATOM 2192 N LEU B 167 1.770 8.319 -4.357 1.00 0.00 N ATOM 2193 CA LEU B 167 2.964 7.453 -4.331 1.00 0.00 C ATOM 2194 C LEU B 167 2.929 6.326 -5.384 1.00 0.00 C ATOM 2195 O LEU B 167 1.863 5.877 -5.818 1.00 0.00 O ATOM 2196 CB LEU B 167 3.160 6.889 -2.901 1.00 0.00 C ATOM 2197 CG LEU B 167 4.223 7.619 -2.059 1.00 0.00 C ATOM 2198 CD1 LEU B 167 4.009 9.128 -1.940 1.00 0.00 C ATOM 2199 CD2 LEU B 167 4.228 7.052 -0.642 1.00 0.00 C ATOM 0 H LEU B 167 1.248 8.295 -3.481 1.00 0.00 H new ATOM 0 HA LEU B 167 3.821 8.069 -4.601 1.00 0.00 H new ATOM 0 HB2 LEU B 167 2.207 6.933 -2.374 1.00 0.00 H new ATOM 0 HB3 LEU B 167 3.435 5.837 -2.975 1.00 0.00 H new ATOM 0 HG LEU B 167 5.165 7.458 -2.583 1.00 0.00 H new ATOM 0 HD11 LEU B 167 4.802 9.561 -1.331 1.00 0.00 H new ATOM 0 HD12 LEU B 167 4.027 9.577 -2.933 1.00 0.00 H new ATOM 0 HD13 LEU B 167 3.044 9.323 -1.471 1.00 0.00 H new ATOM 0 HD21 LEU B 167 4.980 7.569 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU B 167 3.246 7.194 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU B 167 4.461 5.988 -0.677 1.00 0.00 H new ATOM 2211 N SER B 168 4.115 5.865 -5.785 1.00 0.00 N ATOM 2212 CA SER B 168 4.304 4.696 -6.658 1.00 0.00 C ATOM 2213 C SER B 168 3.751 3.409 -6.022 1.00 0.00 C ATOM 2214 O SER B 168 3.732 3.273 -4.795 1.00 0.00 O ATOM 2215 CB SER B 168 5.801 4.534 -6.940 1.00 0.00 C ATOM 2216 OG SER B 168 6.050 3.377 -7.719 1.00 0.00 O ATOM 0 H SER B 168 4.994 6.302 -5.507 1.00 0.00 H new ATOM 0 HA SER B 168 3.753 4.862 -7.584 1.00 0.00 H new ATOM 0 HB2 SER B 168 6.173 5.415 -7.462 1.00 0.00 H new ATOM 0 HB3 SER B 168 6.347 4.467 -5.999 1.00 0.00 H new ATOM 0 HG SER B 168 7.012 3.296 -7.887 1.00 0.00 H new ATOM 2222 N LYS B 169 3.378 2.413 -6.830 1.00 0.00 N ATOM 2223 CA LYS B 169 3.023 1.060 -6.346 1.00 0.00 C ATOM 2224 C LYS B 169 4.203 0.383 -5.621 1.00 0.00 C ATOM 2225 O LYS B 169 3.989 -0.338 -4.651 1.00 0.00 O ATOM 2226 CB LYS B 169 2.477 0.235 -7.524 1.00 0.00 C ATOM 2227 CG LYS B 169 1.830 -1.068 -7.035 1.00 0.00 C ATOM 2228 CD LYS B 169 1.016 -1.780 -8.123 1.00 0.00 C ATOM 2229 CE LYS B 169 0.439 -3.084 -7.555 1.00 0.00 C ATOM 2230 NZ LYS B 169 -0.185 -3.927 -8.606 1.00 0.00 N1+ ATOM 0 H LYS B 169 3.311 2.514 -7.843 1.00 0.00 H new ATOM 0 HA LYS B 169 2.237 1.134 -5.594 1.00 0.00 H new ATOM 0 HB2 LYS B 169 1.744 0.824 -8.075 1.00 0.00 H new ATOM 0 HB3 LYS B 169 3.287 0.005 -8.217 1.00 0.00 H new ATOM 0 HG2 LYS B 169 2.608 -1.740 -6.674 1.00 0.00 H new ATOM 0 HG3 LYS B 169 1.180 -0.848 -6.188 1.00 0.00 H new ATOM 0 HD2 LYS B 169 0.210 -1.134 -8.471 1.00 0.00 H new ATOM 0 HD3 LYS B 169 1.648 -1.994 -8.985 1.00 0.00 H new ATOM 0 HE2 LYS B 169 1.233 -3.647 -7.064 1.00 0.00 H new ATOM 0 HE3 LYS B 169 -0.303 -2.849 -6.792 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 -0.878 -4.568 -8.170 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -0.664 -3.318 -9.300 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 0.550 -4.485 -9.085 1.00 0.00 H new ATOM 2244 N ASN B 170 5.442 0.702 -6.009 1.00 0.00 N ATOM 2245 CA ASN B 170 6.652 0.273 -5.300 1.00 0.00 C ATOM 2246 C ASN B 170 6.822 0.964 -3.926 1.00 0.00 C ATOM 2247 O ASN B 170 7.179 0.314 -2.944 1.00 0.00 O ATOM 2248 CB ASN B 170 7.865 0.527 -6.208 1.00 0.00 C ATOM 2249 CG ASN B 170 7.778 -0.190 -7.541 1.00 0.00 C ATOM 2250 OD1 ASN B 170 8.327 -1.379 -7.628 1.00 0.00 O flip ATOM 2251 ND2 ASN B 170 7.230 0.306 -8.514 1.00 0.00 N flip ATOM 0 H ASN B 170 5.635 1.271 -6.833 1.00 0.00 H new ATOM 0 HA ASN B 170 6.565 -0.791 -5.081 1.00 0.00 H new ATOM 0 HB2 ASN B 170 7.959 1.598 -6.385 1.00 0.00 H new ATOM 0 HB3 ASN B 170 8.770 0.209 -5.691 1.00 0.00 H new ATOM 0 HD21 ASN B 170 6.804 1.230 -8.444 1.00 0.00 H new ATOM 0 HD22 ASN B 170 7.198 -0.204 -9.397 1.00 0.00 H new ATOM 2258 N GLN B 171 6.519 2.265 -3.833 1.00 0.00 N ATOM 2259 CA GLN B 171 6.540 3.033 -2.577 1.00 0.00 C ATOM 2260 C GLN B 171 5.427 2.588 -1.614 1.00 0.00 C ATOM 2261 O GLN B 171 5.667 2.465 -0.415 1.00 0.00 O ATOM 2262 CB GLN B 171 6.419 4.538 -2.868 1.00 0.00 C ATOM 2263 CG GLN B 171 7.702 5.126 -3.479 1.00 0.00 C ATOM 2264 CD GLN B 171 7.494 6.577 -3.913 1.00 0.00 C ATOM 2265 OE1 GLN B 171 6.674 6.872 -4.779 1.00 0.00 O ATOM 2266 NE2 GLN B 171 8.193 7.537 -3.353 1.00 0.00 N ATOM 0 H GLN B 171 6.247 2.825 -4.641 1.00 0.00 H new ATOM 0 HA GLN B 171 7.495 2.837 -2.090 1.00 0.00 H new ATOM 0 HB2 GLN B 171 5.586 4.707 -3.550 1.00 0.00 H new ATOM 0 HB3 GLN B 171 6.186 5.066 -1.943 1.00 0.00 H new ATOM 0 HG2 GLN B 171 8.511 5.074 -2.751 1.00 0.00 H new ATOM 0 HG3 GLN B 171 8.007 4.527 -4.337 1.00 0.00 H new ATOM 0 HE21 GLN B 171 8.879 7.314 -2.632 1.00 0.00 H new ATOM 0 HE22 GLN B 171 8.050 8.506 -3.639 1.00 0.00 H new ATOM 2275 N LEU B 172 4.235 2.278 -2.140 1.00 0.00 N ATOM 2276 CA LEU B 172 3.112 1.691 -1.393 1.00 0.00 C ATOM 2277 C LEU B 172 3.490 0.356 -0.732 1.00 0.00 C ATOM 2278 O LEU B 172 3.124 0.118 0.418 1.00 0.00 O ATOM 2279 CB LEU B 172 1.911 1.505 -2.346 1.00 0.00 C ATOM 2280 CG LEU B 172 1.093 2.790 -2.557 1.00 0.00 C ATOM 2281 CD1 LEU B 172 0.273 2.717 -3.844 1.00 0.00 C ATOM 2282 CD2 LEU B 172 0.115 2.992 -1.398 1.00 0.00 C ATOM 0 H LEU B 172 4.018 2.432 -3.125 1.00 0.00 H new ATOM 0 HA LEU B 172 2.843 2.375 -0.588 1.00 0.00 H new ATOM 0 HB2 LEU B 172 2.274 1.152 -3.311 1.00 0.00 H new ATOM 0 HB3 LEU B 172 1.258 0.729 -1.948 1.00 0.00 H new ATOM 0 HG LEU B 172 1.801 3.616 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -0.295 3.639 -3.966 1.00 0.00 H new ATOM 0 HD12 LEU B 172 0.942 2.587 -4.695 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -0.414 1.872 -3.790 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -0.458 3.905 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU B 172 -0.565 2.142 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU B 172 0.670 3.073 -0.463 1.00 0.00 H new ATOM 2294 N MET B 173 4.267 -0.487 -1.416 1.00 0.00 N ATOM 2295 CA MET B 173 4.849 -1.696 -0.829 1.00 0.00 C ATOM 2296 C MET B 173 5.917 -1.382 0.233 1.00 0.00 C ATOM 2297 O MET B 173 5.914 -1.998 1.299 1.00 0.00 O ATOM 2298 CB MET B 173 5.428 -2.595 -1.929 1.00 0.00 C ATOM 2299 CG MET B 173 4.305 -3.281 -2.716 1.00 0.00 C ATOM 2300 SD MET B 173 4.832 -4.592 -3.852 1.00 0.00 S ATOM 2301 CE MET B 173 5.530 -3.596 -5.192 1.00 0.00 C ATOM 0 H MET B 173 4.511 -0.350 -2.397 1.00 0.00 H new ATOM 0 HA MET B 173 4.044 -2.225 -0.319 1.00 0.00 H new ATOM 0 HB2 MET B 173 6.042 -2.001 -2.605 1.00 0.00 H new ATOM 0 HB3 MET B 173 6.080 -3.347 -1.485 1.00 0.00 H new ATOM 0 HG2 MET B 173 3.594 -3.704 -2.006 1.00 0.00 H new ATOM 0 HG3 MET B 173 3.771 -2.522 -3.288 1.00 0.00 H new ATOM 0 HE1 MET B 173 5.821 -4.247 -6.016 1.00 0.00 H new ATOM 0 HE2 MET B 173 4.784 -2.881 -5.540 1.00 0.00 H new ATOM 0 HE3 MET B 173 6.406 -3.059 -4.828 1.00 0.00 H new ATOM 2311 N ALA B 174 6.805 -0.412 -0.010 1.00 0.00 N ATOM 2312 CA ALA B 174 7.917 -0.113 0.891 1.00 0.00 C ATOM 2313 C ALA B 174 7.488 0.562 2.210 1.00 0.00 C ATOM 2314 O ALA B 174 7.990 0.185 3.271 1.00 0.00 O ATOM 2315 CB ALA B 174 8.939 0.725 0.119 1.00 0.00 C ATOM 0 H ALA B 174 6.771 0.185 -0.836 1.00 0.00 H new ATOM 0 HA ALA B 174 8.364 -1.054 1.211 1.00 0.00 H new ATOM 0 HB1 ALA B 174 9.781 0.962 0.770 1.00 0.00 H new ATOM 0 HB2 ALA B 174 9.295 0.161 -0.743 1.00 0.00 H new ATOM 0 HB3 ALA B 174 8.470 1.649 -0.220 1.00 0.00 H new ATOM 2321 N LEU B 175 6.529 1.503 2.190 1.00 0.00 N ATOM 2322 CA LEU B 175 6.001 2.120 3.418 1.00 0.00 C ATOM 2323 C LEU B 175 5.279 1.084 4.295 1.00 0.00 C ATOM 2324 O LEU B 175 5.446 1.073 5.521 1.00 0.00 O ATOM 2325 CB LEU B 175 5.125 3.354 3.085 1.00 0.00 C ATOM 2326 CG LEU B 175 3.712 3.094 2.525 1.00 0.00 C ATOM 2327 CD1 LEU B 175 2.638 3.110 3.615 1.00 0.00 C ATOM 2328 CD2 LEU B 175 3.326 4.162 1.500 1.00 0.00 C ATOM 0 H LEU B 175 6.102 1.854 1.333 1.00 0.00 H new ATOM 0 HA LEU B 175 6.839 2.487 4.011 1.00 0.00 H new ATOM 0 HB2 LEU B 175 5.023 3.949 3.993 1.00 0.00 H new ATOM 0 HB3 LEU B 175 5.666 3.965 2.363 1.00 0.00 H new ATOM 0 HG LEU B 175 3.755 2.105 2.068 1.00 0.00 H new ATOM 0 HD11 LEU B 175 1.662 2.922 3.167 1.00 0.00 H new ATOM 0 HD12 LEU B 175 2.855 2.336 4.351 1.00 0.00 H new ATOM 0 HD13 LEU B 175 2.631 4.084 4.104 1.00 0.00 H new ATOM 0 HD21 LEU B 175 2.325 3.957 1.120 1.00 0.00 H new ATOM 0 HD22 LEU B 175 3.340 5.143 1.974 1.00 0.00 H new ATOM 0 HD23 LEU B 175 4.038 4.148 0.675 1.00 0.00 H new ATOM 2340 N ALA B 176 4.539 0.164 3.665 1.00 0.00 N ATOM 2341 CA ALA B 176 3.848 -0.928 4.335 1.00 0.00 C ATOM 2342 C ALA B 176 4.835 -1.939 4.952 1.00 0.00 C ATOM 2343 O ALA B 176 4.615 -2.403 6.070 1.00 0.00 O ATOM 2344 CB ALA B 176 2.913 -1.564 3.300 1.00 0.00 C ATOM 0 H ALA B 176 4.405 0.164 2.654 1.00 0.00 H new ATOM 0 HA ALA B 176 3.267 -0.559 5.181 1.00 0.00 H new ATOM 0 HB1 ALA B 176 2.371 -2.391 3.759 1.00 0.00 H new ATOM 0 HB2 ALA B 176 2.202 -0.818 2.944 1.00 0.00 H new ATOM 0 HB3 ALA B 176 3.499 -1.936 2.460 1.00 0.00 H new ATOM 2350 N LEU B 177 5.946 -2.245 4.275 1.00 0.00 N ATOM 2351 CA LEU B 177 7.012 -3.105 4.803 1.00 0.00 C ATOM 2352 C LEU B 177 7.652 -2.474 6.051 1.00 0.00 C ATOM 2353 O LEU B 177 7.718 -3.106 7.107 1.00 0.00 O ATOM 2354 CB LEU B 177 8.038 -3.373 3.671 1.00 0.00 C ATOM 2355 CG LEU B 177 8.909 -4.641 3.780 1.00 0.00 C ATOM 2356 CD1 LEU B 177 9.844 -4.651 4.986 1.00 0.00 C ATOM 2357 CD2 LEU B 177 8.064 -5.918 3.793 1.00 0.00 C ATOM 0 H LEU B 177 6.133 -1.899 3.334 1.00 0.00 H new ATOM 0 HA LEU B 177 6.603 -4.062 5.126 1.00 0.00 H new ATOM 0 HB2 LEU B 177 7.493 -3.420 2.728 1.00 0.00 H new ATOM 0 HB3 LEU B 177 8.704 -2.512 3.611 1.00 0.00 H new ATOM 0 HG LEU B 177 9.529 -4.619 2.884 1.00 0.00 H new ATOM 0 HD11 LEU B 177 10.422 -5.575 4.991 1.00 0.00 H new ATOM 0 HD12 LEU B 177 10.522 -3.800 4.928 1.00 0.00 H new ATOM 0 HD13 LEU B 177 9.257 -4.585 5.902 1.00 0.00 H new ATOM 0 HD21 LEU B 177 8.718 -6.786 3.871 1.00 0.00 H new ATOM 0 HD22 LEU B 177 7.386 -5.897 4.646 1.00 0.00 H new ATOM 0 HD23 LEU B 177 7.486 -5.981 2.871 1.00 0.00 H new ATOM 2369 N LYS B 178 8.056 -1.197 5.970 1.00 0.00 N ATOM 2370 CA LYS B 178 8.722 -0.476 7.068 1.00 0.00 C ATOM 2371 C LYS B 178 7.851 -0.358 8.324 1.00 0.00 C ATOM 2372 O LYS B 178 8.344 -0.643 9.417 1.00 0.00 O ATOM 2373 CB LYS B 178 9.195 0.907 6.594 1.00 0.00 C ATOM 2374 CG LYS B 178 10.409 0.821 5.652 1.00 0.00 C ATOM 2375 CD LYS B 178 10.840 2.214 5.173 1.00 0.00 C ATOM 2376 CE LYS B 178 11.950 2.143 4.119 1.00 0.00 C ATOM 2377 NZ LYS B 178 13.282 1.865 4.714 1.00 0.00 N1+ ATOM 0 H LYS B 178 7.929 -0.629 5.132 1.00 0.00 H new ATOM 0 HA LYS B 178 9.590 -1.070 7.354 1.00 0.00 H new ATOM 0 HB2 LYS B 178 8.376 1.412 6.082 1.00 0.00 H new ATOM 0 HB3 LYS B 178 9.453 1.516 7.460 1.00 0.00 H new ATOM 0 HG2 LYS B 178 11.239 0.338 6.168 1.00 0.00 H new ATOM 0 HG3 LYS B 178 10.162 0.198 4.792 1.00 0.00 H new ATOM 0 HD2 LYS B 178 9.979 2.736 4.757 1.00 0.00 H new ATOM 0 HD3 LYS B 178 11.187 2.799 6.025 1.00 0.00 H new ATOM 0 HE2 LYS B 178 11.710 1.365 3.395 1.00 0.00 H new ATOM 0 HE3 LYS B 178 11.989 3.086 3.573 1.00 0.00 H new ATOM 0 HZ1 LYS B 178 13.960 1.643 3.958 1.00 0.00 H new ATOM 0 HZ2 LYS B 178 13.610 2.701 5.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 178 13.210 1.056 5.363 1.00 0.00 H new ATOM 2391 N LEU B 179 6.567 -0.004 8.199 1.00 0.00 N ATOM 2392 CA LEU B 179 5.679 0.129 9.362 1.00 0.00 C ATOM 2393 C LEU B 179 5.376 -1.218 10.050 1.00 0.00 C ATOM 2394 O LEU B 179 5.153 -1.237 11.269 1.00 0.00 O ATOM 2395 CB LEU B 179 4.419 0.943 9.001 1.00 0.00 C ATOM 2396 CG LEU B 179 3.342 0.249 8.144 1.00 0.00 C ATOM 2397 CD1 LEU B 179 2.356 -0.585 8.973 1.00 0.00 C ATOM 2398 CD2 LEU B 179 2.509 1.309 7.417 1.00 0.00 C ATOM 0 H LEU B 179 6.119 0.196 7.305 1.00 0.00 H new ATOM 0 HA LEU B 179 6.214 0.700 10.121 1.00 0.00 H new ATOM 0 HB2 LEU B 179 3.951 1.268 9.930 1.00 0.00 H new ATOM 0 HB3 LEU B 179 4.739 1.842 8.475 1.00 0.00 H new ATOM 0 HG LEU B 179 3.878 -0.409 7.461 1.00 0.00 H new ATOM 0 HD11 LEU B 179 1.624 -1.047 8.311 1.00 0.00 H new ATOM 0 HD12 LEU B 179 2.899 -1.362 9.511 1.00 0.00 H new ATOM 0 HD13 LEU B 179 1.844 0.060 9.686 1.00 0.00 H new ATOM 0 HD21 LEU B 179 1.747 0.820 6.810 1.00 0.00 H new ATOM 0 HD22 LEU B 179 2.029 1.959 8.148 1.00 0.00 H new ATOM 0 HD23 LEU B 179 3.158 1.904 6.774 1.00 0.00 H new ATOM 2410 N LYS B 180 5.379 -2.338 9.307 1.00 0.00 N ATOM 2411 CA LYS B 180 5.256 -3.705 9.860 1.00 0.00 C ATOM 2412 C LYS B 180 6.557 -4.199 10.504 1.00 0.00 C ATOM 2413 O LYS B 180 6.507 -4.906 11.508 1.00 0.00 O ATOM 2414 CB LYS B 180 4.799 -4.686 8.757 1.00 0.00 C ATOM 2415 CG LYS B 180 3.346 -4.508 8.280 1.00 0.00 C ATOM 2416 CD LYS B 180 2.245 -4.690 9.337 1.00 0.00 C ATOM 2417 CE LYS B 180 2.298 -6.055 10.038 1.00 0.00 C ATOM 2418 NZ LYS B 180 1.202 -6.201 11.032 1.00 0.00 N1+ ATOM 0 H LYS B 180 5.468 -2.323 8.291 1.00 0.00 H new ATOM 0 HA LYS B 180 4.505 -3.666 10.649 1.00 0.00 H new ATOM 0 HB2 LYS B 180 5.462 -4.576 7.899 1.00 0.00 H new ATOM 0 HB3 LYS B 180 4.921 -5.704 9.126 1.00 0.00 H new ATOM 0 HG2 LYS B 180 3.248 -3.509 7.855 1.00 0.00 H new ATOM 0 HG3 LYS B 180 3.164 -5.218 7.473 1.00 0.00 H new ATOM 0 HD2 LYS B 180 2.334 -3.902 10.084 1.00 0.00 H new ATOM 0 HD3 LYS B 180 1.271 -4.570 8.862 1.00 0.00 H new ATOM 0 HE2 LYS B 180 2.225 -6.849 9.295 1.00 0.00 H new ATOM 0 HE3 LYS B 180 3.260 -6.172 10.536 1.00 0.00 H new ATOM 0 HZ1 LYS B 180 1.268 -7.134 11.487 1.00 0.00 H new ATOM 0 HZ2 LYS B 180 1.287 -5.457 11.754 1.00 0.00 H new ATOM 0 HZ3 LYS B 180 0.284 -6.114 10.552 1.00 0.00 H new ATOM 2432 N GLN B 181 7.716 -3.804 9.975 1.00 0.00 N ATOM 2433 CA GLN B 181 9.035 -4.205 10.474 1.00 0.00 C ATOM 2434 C GLN B 181 9.361 -3.598 11.848 1.00 0.00 C ATOM 2435 O GLN B 181 9.952 -4.266 12.700 1.00 0.00 O ATOM 2436 CB GLN B 181 10.090 -3.820 9.424 1.00 0.00 C ATOM 2437 CG GLN B 181 11.510 -4.236 9.823 1.00 0.00 C ATOM 2438 CD GLN B 181 12.479 -4.227 8.645 1.00 0.00 C ATOM 2439 OE1 GLN B 181 13.071 -5.232 8.281 1.00 0.00 O ATOM 2440 NE2 GLN B 181 12.660 -3.109 7.972 1.00 0.00 N ATOM 0 H GLN B 181 7.766 -3.182 9.168 1.00 0.00 H new ATOM 0 HA GLN B 181 9.037 -5.284 10.626 1.00 0.00 H new ATOM 0 HB2 GLN B 181 9.835 -4.286 8.472 1.00 0.00 H new ATOM 0 HB3 GLN B 181 10.063 -2.742 9.268 1.00 0.00 H new ATOM 0 HG2 GLN B 181 11.878 -3.561 10.596 1.00 0.00 H new ATOM 0 HG3 GLN B 181 11.483 -5.235 10.258 1.00 0.00 H new ATOM 0 HE21 GLN B 181 12.176 -2.258 8.258 1.00 0.00 H new ATOM 0 HE22 GLN B 181 13.284 -3.095 7.165 1.00 0.00 H new ATOM 2449 N GLN B 182 8.946 -2.351 12.100 1.00 0.00 N ATOM 2450 CA GLN B 182 9.154 -1.678 13.387 1.00 0.00 C ATOM 2451 C GLN B 182 8.142 -2.113 14.467 1.00 0.00 C ATOM 2452 O GLN B 182 8.526 -2.262 15.627 1.00 0.00 O ATOM 2453 CB GLN B 182 9.210 -0.149 13.169 1.00 0.00 C ATOM 2454 CG GLN B 182 7.916 0.501 12.652 1.00 0.00 C ATOM 2455 CD GLN B 182 6.902 0.865 13.742 1.00 0.00 C ATOM 2456 OE1 GLN B 182 7.229 1.239 14.859 1.00 0.00 O ATOM 2457 NE2 GLN B 182 5.624 0.770 13.454 1.00 0.00 N ATOM 0 H GLN B 182 8.454 -1.778 11.414 1.00 0.00 H new ATOM 0 HA GLN B 182 10.117 -1.992 13.789 1.00 0.00 H new ATOM 0 HB2 GLN B 182 9.480 0.324 14.113 1.00 0.00 H new ATOM 0 HB3 GLN B 182 10.011 0.069 12.463 1.00 0.00 H new ATOM 0 HG2 GLN B 182 8.175 1.404 12.100 1.00 0.00 H new ATOM 0 HG3 GLN B 182 7.441 -0.180 11.946 1.00 0.00 H new ATOM 0 HE21 GLN B 182 5.332 0.460 12.527 1.00 0.00 H new ATOM 0 HE22 GLN B 182 4.924 1.006 14.157 1.00 0.00 H new