USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 703 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 62 GLN : amide:sc= -3.28! C(o=-2.9!,f=-7.8!) USER MOD Set 1.2: B 65 SER OG : rot 122:sc= 0.408 USER MOD Set 2.1: B 55 THR OG1 : rot 117:sc= 0.622 USER MOD Set 2.2: B 57 SER OG : rot 180:sc= 0.574 USER MOD Single : A 265 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 270 SER OG : rot 110:sc= 0.0356 USER MOD Single : A 272 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -109:sc= -0.44 (180deg=-0.873) USER MOD Single : B 1 MET N :NH3+ -176:sc= 0.261 (180deg=0.255) USER MOD Single : B 2 GLN :FLIP amide:sc= -0.514 F(o=-2.9!,f=-0.51) USER MOD Single : B 6 LYS NZ :NH3+ -149:sc= -3.72! (180deg=-5.43!) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 LYS NZ :NH3+ 164:sc= -0.0651 (180deg=-0.346) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot -33:sc= 1.89 USER MOD Single : B 19 SER OG : rot 180:sc=-0.00768 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 ASN :FLIP amide:sc= -0.804 F(o=-3.7!,f=-0.8) USER MOD Single : B 27 LYS NZ :NH3+ -155:sc= -3.16 (180deg=-4.18!) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ -167:sc= -0.0192 (180deg=-0.256) USER MOD Single : B 31 GLN :FLIP amide:sc= -0.226 F(o=-2.1!,f=-0.23) USER MOD Single : B 33 LYS NZ :NH3+ 165:sc= -0.0347 (180deg=-0.267) USER MOD Single : B 40 GLN : amide:sc= -0.396 K(o=-0.4,f=-1) USER MOD Single : B 41 GLN : amide:sc= -0.417 K(o=-0.42,f=-4.7!) USER MOD Single : B 48 LYS NZ :NH3+ 166:sc= -0.0189 (180deg=-0.243) USER MOD Single : B 49 GLN :FLIP amide:sc= -4.4! C(o=-6!,f=-4.4!) USER MOD Single : B 59 TYR OH : rot 30:sc= 0 USER MOD Single : B 60 ASN : amide:sc= -2.93 X(o=-2.9,f=-2.5) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HE2:sc= -3.74! C(o=-3.7!,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 65 N GLU A 259 -15.284 -2.441 -2.230 1.00 0.00 N ATOM 66 CA GLU A 259 -13.857 -2.401 -2.516 1.00 0.00 C ATOM 67 C GLU A 259 -13.428 -1.001 -2.943 1.00 0.00 C ATOM 68 O GLU A 259 -12.437 -0.466 -2.447 1.00 0.00 O ATOM 69 CB GLU A 259 -13.522 -3.405 -3.620 1.00 0.00 C ATOM 70 CG GLU A 259 -12.064 -3.388 -4.038 1.00 0.00 C ATOM 71 CD GLU A 259 -11.786 -4.302 -5.214 1.00 0.00 C ATOM 72 OE1 GLU A 259 -12.063 -5.514 -5.101 1.00 0.00 O ATOM 73 OE2 GLU A 259 -11.291 -3.806 -6.248 1.00 0.00 O ATOM 0 HA GLU A 259 -13.316 -2.665 -1.607 1.00 0.00 H new ATOM 0 HB2 GLU A 259 -13.781 -4.407 -3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 259 -14.143 -3.195 -4.491 1.00 0.00 H new ATOM 0 HG2 GLU A 259 -11.776 -2.369 -4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 259 -11.444 -3.689 -3.194 1.00 0.00 H new ATOM 80 N GLU A 260 -14.180 -0.418 -3.871 1.00 0.00 N ATOM 81 CA GLU A 260 -13.882 0.917 -4.375 1.00 0.00 C ATOM 82 C GLU A 260 -13.986 1.954 -3.261 1.00 0.00 C ATOM 83 O GLU A 260 -13.175 2.875 -3.185 1.00 0.00 O ATOM 84 CB GLU A 260 -14.831 1.270 -5.528 1.00 0.00 C ATOM 85 CG GLU A 260 -14.524 2.600 -6.203 1.00 0.00 C ATOM 86 CD GLU A 260 -15.059 3.798 -5.438 1.00 0.00 C ATOM 87 OE1 GLU A 260 -15.806 3.595 -4.457 1.00 0.00 O ATOM 88 OE2 GLU A 260 -14.746 4.940 -5.833 1.00 0.00 O ATOM 0 H GLU A 260 -15.003 -0.851 -4.290 1.00 0.00 H new ATOM 0 HA GLU A 260 -12.858 0.924 -4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 260 -14.788 0.477 -6.275 1.00 0.00 H new ATOM 0 HB3 GLU A 260 -15.853 1.295 -5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 260 -13.445 2.702 -6.316 1.00 0.00 H new ATOM 0 HG3 GLU A 260 -14.951 2.598 -7.206 1.00 0.00 H new ATOM 95 N GLU A 261 -14.993 1.804 -2.406 1.00 0.00 N ATOM 96 CA GLU A 261 -15.207 2.735 -1.300 1.00 0.00 C ATOM 97 C GLU A 261 -14.011 2.753 -0.351 1.00 0.00 C ATOM 98 O GLU A 261 -13.553 3.818 0.064 1.00 0.00 O ATOM 99 CB GLU A 261 -16.476 2.362 -0.531 1.00 0.00 C ATOM 100 CG GLU A 261 -16.787 3.300 0.625 1.00 0.00 C ATOM 101 CD GLU A 261 -18.049 2.909 1.370 1.00 0.00 C ATOM 102 OE1 GLU A 261 -18.684 1.906 0.980 1.00 0.00 O ATOM 103 OE2 GLU A 261 -18.404 3.607 2.344 1.00 0.00 O ATOM 0 H GLU A 261 -15.675 1.047 -2.457 1.00 0.00 H new ATOM 0 HA GLU A 261 -15.322 3.733 -1.722 1.00 0.00 H new ATOM 0 HB2 GLU A 261 -17.320 2.357 -1.221 1.00 0.00 H new ATOM 0 HB3 GLU A 261 -16.372 1.347 -0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 261 -15.947 3.306 1.319 1.00 0.00 H new ATOM 0 HG3 GLU A 261 -16.894 4.316 0.245 1.00 0.00 H new ATOM 110 N LEU A 262 -13.512 1.571 -0.006 1.00 0.00 N ATOM 111 CA LEU A 262 -12.372 1.460 0.897 1.00 0.00 C ATOM 112 C LEU A 262 -11.123 2.056 0.252 1.00 0.00 C ATOM 113 O LEU A 262 -10.406 2.844 0.871 1.00 0.00 O ATOM 114 CB LEU A 262 -12.138 -0.012 1.271 1.00 0.00 C ATOM 115 CG LEU A 262 -11.191 -0.266 2.453 1.00 0.00 C ATOM 116 CD1 LEU A 262 -9.753 0.077 2.092 1.00 0.00 C ATOM 117 CD2 LEU A 262 -11.636 0.525 3.676 1.00 0.00 C ATOM 0 H LEU A 262 -13.878 0.678 -0.337 1.00 0.00 H new ATOM 0 HA LEU A 262 -12.587 2.020 1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 262 -13.102 -0.465 1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 262 -11.742 -0.529 0.397 1.00 0.00 H new ATOM 0 HG LEU A 262 -11.233 -1.329 2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 262 -9.107 -0.114 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 262 -9.432 -0.539 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 262 -9.688 1.129 1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 262 -10.953 0.332 4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 262 -11.631 1.590 3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 262 -12.644 0.221 3.959 1.00 0.00 H new ATOM 129 N ILE A 263 -10.874 1.677 -0.999 1.00 0.00 N ATOM 130 CA ILE A 263 -9.716 2.172 -1.734 1.00 0.00 C ATOM 131 C ILE A 263 -9.729 3.697 -1.829 1.00 0.00 C ATOM 132 O ILE A 263 -8.723 4.346 -1.543 1.00 0.00 O ATOM 133 CB ILE A 263 -9.645 1.550 -3.151 1.00 0.00 C ATOM 134 CG1 ILE A 263 -8.647 0.392 -3.176 1.00 0.00 C ATOM 135 CG2 ILE A 263 -9.282 2.592 -4.204 1.00 0.00 C ATOM 136 CD1 ILE A 263 -8.555 -0.305 -4.517 1.00 0.00 C ATOM 0 H ILE A 263 -11.460 1.028 -1.524 1.00 0.00 H new ATOM 0 HA ILE A 263 -8.828 1.870 -1.179 1.00 0.00 H new ATOM 0 HB ILE A 263 -10.636 1.166 -3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 263 -7.661 0.768 -2.904 1.00 0.00 H new ATOM 0 HG13 ILE A 263 -8.931 -0.337 -2.417 1.00 0.00 H new ATOM 0 HG21 ILE A 263 -9.242 2.119 -5.185 1.00 0.00 H new ATOM 0 HG22 ILE A 263 -10.036 3.379 -4.212 1.00 0.00 H new ATOM 0 HG23 ILE A 263 -8.309 3.023 -3.969 1.00 0.00 H new ATOM 0 HD11 ILE A 263 -7.828 -1.115 -4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 263 -9.530 -0.712 -4.783 1.00 0.00 H new ATOM 0 HD13 ILE A 263 -8.241 0.410 -5.278 1.00 0.00 H new ATOM 148 N ARG A 264 -10.865 4.267 -2.230 1.00 0.00 N ATOM 149 CA ARG A 264 -10.975 5.716 -2.355 1.00 0.00 C ATOM 150 C ARG A 264 -10.803 6.386 -1.000 1.00 0.00 C ATOM 151 O ARG A 264 -10.217 7.463 -0.907 1.00 0.00 O ATOM 152 CB ARG A 264 -12.298 6.123 -3.009 1.00 0.00 C ATOM 153 CG ARG A 264 -13.544 5.720 -2.235 1.00 0.00 C ATOM 154 CD ARG A 264 -13.881 6.723 -1.141 1.00 0.00 C ATOM 155 NE ARG A 264 -15.088 6.350 -0.410 1.00 0.00 N ATOM 156 CZ ARG A 264 -15.606 7.077 0.575 1.00 0.00 C ATOM 157 NH1 ARG A 264 -15.027 8.213 0.942 1.00 0.00 N ATOM 158 NH2 ARG A 264 -16.706 6.669 1.194 1.00 0.00 N ATOM 0 H ARG A 264 -11.712 3.753 -2.471 1.00 0.00 H new ATOM 0 HA ARG A 264 -10.172 6.057 -3.008 1.00 0.00 H new ATOM 0 HB2 ARG A 264 -12.304 7.205 -3.141 1.00 0.00 H new ATOM 0 HB3 ARG A 264 -12.346 5.680 -4.004 1.00 0.00 H new ATOM 0 HG2 ARG A 264 -14.386 5.635 -2.922 1.00 0.00 H new ATOM 0 HG3 ARG A 264 -13.394 4.736 -1.791 1.00 0.00 H new ATOM 0 HD2 ARG A 264 -13.044 6.796 -0.446 1.00 0.00 H new ATOM 0 HD3 ARG A 264 -14.015 7.710 -1.583 1.00 0.00 H new ATOM 0 HE ARG A 264 -15.560 5.484 -0.669 1.00 0.00 H new ATOM 0 HH11 ARG A 264 -14.182 8.531 0.468 1.00 0.00 H new ATOM 0 HH12 ARG A 264 -15.427 8.768 1.698 1.00 0.00 H new ATOM 0 HH21 ARG A 264 -17.155 5.797 0.914 1.00 0.00 H new ATOM 0 HH22 ARG A 264 -17.103 7.227 1.950 1.00 0.00 H new ATOM 172 N LYS A 265 -11.291 5.736 0.055 1.00 0.00 N ATOM 173 CA LYS A 265 -11.147 6.277 1.399 1.00 0.00 C ATOM 174 C LYS A 265 -9.668 6.503 1.665 1.00 0.00 C ATOM 175 O LYS A 265 -9.244 7.583 2.095 1.00 0.00 O ATOM 176 CB LYS A 265 -11.730 5.309 2.431 1.00 0.00 C ATOM 177 CG LYS A 265 -11.664 5.822 3.862 1.00 0.00 C ATOM 178 CD LYS A 265 -12.233 4.811 4.847 1.00 0.00 C ATOM 179 CE LYS A 265 -13.700 4.515 4.566 1.00 0.00 C ATOM 180 NZ LYS A 265 -14.257 3.508 5.513 1.00 0.00 N ATOM 0 H LYS A 265 -11.784 4.844 0.004 1.00 0.00 H new ATOM 0 HA LYS A 265 -11.690 7.219 1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 265 -12.770 5.104 2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 265 -11.194 4.362 2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 265 -10.629 6.042 4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 265 -12.218 6.758 3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 265 -11.658 3.886 4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 265 -12.127 5.193 5.862 1.00 0.00 H new ATOM 0 HE2 LYS A 265 -14.276 5.437 4.637 1.00 0.00 H new ATOM 0 HE3 LYS A 265 -13.807 4.150 3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 -15.257 3.335 5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 -13.724 2.619 5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 -14.179 3.866 6.486 1.00 0.00 H new ATOM 194 N ALA A 266 -8.882 5.477 1.356 1.00 0.00 N ATOM 195 CA ALA A 266 -7.442 5.546 1.506 1.00 0.00 C ATOM 196 C ALA A 266 -6.888 6.620 0.579 1.00 0.00 C ATOM 197 O ALA A 266 -5.925 7.309 0.911 1.00 0.00 O ATOM 198 CB ALA A 266 -6.812 4.193 1.204 1.00 0.00 C ATOM 0 H ALA A 266 -9.225 4.585 0.999 1.00 0.00 H new ATOM 0 HA ALA A 266 -7.198 5.807 2.536 1.00 0.00 H new ATOM 0 HB1 ALA A 266 -5.730 4.261 1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 266 -7.205 3.446 1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 266 -7.049 3.902 0.181 1.00 0.00 H new ATOM 204 N ILE A 267 -7.526 6.764 -0.583 1.00 0.00 N ATOM 205 CA ILE A 267 -7.123 7.765 -1.562 1.00 0.00 C ATOM 206 C ILE A 267 -7.245 9.164 -0.972 1.00 0.00 C ATOM 207 O ILE A 267 -6.370 10.008 -1.158 1.00 0.00 O ATOM 208 CB ILE A 267 -7.974 7.678 -2.850 1.00 0.00 C ATOM 209 CG1 ILE A 267 -7.710 6.357 -3.578 1.00 0.00 C ATOM 210 CG2 ILE A 267 -7.688 8.861 -3.767 1.00 0.00 C ATOM 211 CD1 ILE A 267 -6.280 6.196 -4.051 1.00 0.00 C ATOM 0 H ILE A 267 -8.325 6.197 -0.866 1.00 0.00 H new ATOM 0 HA ILE A 267 -6.083 7.564 -1.821 1.00 0.00 H new ATOM 0 HB ILE A 267 -9.026 7.713 -2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 267 -7.958 5.530 -2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 267 -8.377 6.286 -4.437 1.00 0.00 H new ATOM 0 HG21 ILE A 267 -8.297 8.779 -4.667 1.00 0.00 H new ATOM 0 HG22 ILE A 267 -7.928 9.789 -3.249 1.00 0.00 H new ATOM 0 HG23 ILE A 267 -6.633 8.862 -4.042 1.00 0.00 H new ATOM 0 HD11 ILE A 267 -6.170 5.237 -4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 267 -6.033 7.002 -4.742 1.00 0.00 H new ATOM 0 HD13 ILE A 267 -5.607 6.234 -3.194 1.00 0.00 H new ATOM 223 N GLU A 268 -8.340 9.397 -0.254 1.00 0.00 N ATOM 224 CA GLU A 268 -8.587 10.688 0.373 1.00 0.00 C ATOM 225 C GLU A 268 -7.526 10.993 1.424 1.00 0.00 C ATOM 226 O GLU A 268 -6.934 12.071 1.423 1.00 0.00 O ATOM 227 CB GLU A 268 -9.976 10.708 1.015 1.00 0.00 C ATOM 228 CG GLU A 268 -10.309 12.019 1.708 1.00 0.00 C ATOM 229 CD GLU A 268 -11.679 12.005 2.357 1.00 0.00 C ATOM 230 OE1 GLU A 268 -11.908 11.152 3.240 1.00 0.00 O ATOM 231 OE2 GLU A 268 -12.522 12.846 1.982 1.00 0.00 O ATOM 0 H GLU A 268 -9.072 8.705 -0.093 1.00 0.00 H new ATOM 0 HA GLU A 268 -8.539 11.455 -0.400 1.00 0.00 H new ATOM 0 HB2 GLU A 268 -10.724 10.513 0.247 1.00 0.00 H new ATOM 0 HB3 GLU A 268 -10.044 9.897 1.740 1.00 0.00 H new ATOM 0 HG2 GLU A 268 -9.554 12.227 2.466 1.00 0.00 H new ATOM 0 HG3 GLU A 268 -10.263 12.831 0.982 1.00 0.00 H new ATOM 238 N LEU A 269 -7.292 10.038 2.320 1.00 0.00 N ATOM 239 CA LEU A 269 -6.301 10.214 3.380 1.00 0.00 C ATOM 240 C LEU A 269 -4.911 10.479 2.805 1.00 0.00 C ATOM 241 O LEU A 269 -4.208 11.390 3.245 1.00 0.00 O ATOM 242 CB LEU A 269 -6.246 8.974 4.271 1.00 0.00 C ATOM 243 CG LEU A 269 -7.551 8.599 4.971 1.00 0.00 C ATOM 244 CD1 LEU A 269 -7.357 7.332 5.789 1.00 0.00 C ATOM 245 CD2 LEU A 269 -8.032 9.739 5.857 1.00 0.00 C ATOM 0 H LEU A 269 -7.772 9.138 2.334 1.00 0.00 H new ATOM 0 HA LEU A 269 -6.606 11.078 3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 269 -5.925 8.128 3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 269 -5.480 9.130 5.031 1.00 0.00 H new ATOM 0 HG LEU A 269 -8.313 8.414 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 269 -8.292 7.072 6.285 1.00 0.00 H new ATOM 0 HD12 LEU A 269 -7.056 6.517 5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 269 -6.583 7.498 6.539 1.00 0.00 H new ATOM 0 HD21 LEU A 269 -8.963 9.452 6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 269 -7.277 9.956 6.612 1.00 0.00 H new ATOM 0 HD23 LEU A 269 -8.202 10.627 5.248 1.00 0.00 H new ATOM 257 N SER A 270 -4.517 9.663 1.834 1.00 0.00 N ATOM 258 CA SER A 270 -3.206 9.783 1.204 1.00 0.00 C ATOM 259 C SER A 270 -3.019 11.147 0.543 1.00 0.00 C ATOM 260 O SER A 270 -1.969 11.774 0.684 1.00 0.00 O ATOM 261 CB SER A 270 -3.021 8.669 0.173 1.00 0.00 C ATOM 262 OG SER A 270 -1.736 8.732 -0.422 1.00 0.00 O ATOM 0 H SER A 270 -5.091 8.906 1.463 1.00 0.00 H new ATOM 0 HA SER A 270 -2.450 9.688 1.984 1.00 0.00 H new ATOM 0 HB2 SER A 270 -3.156 7.700 0.653 1.00 0.00 H new ATOM 0 HB3 SER A 270 -3.787 8.752 -0.598 1.00 0.00 H new ATOM 0 HG SER A 270 -1.196 7.974 -0.116 1.00 0.00 H new ATOM 268 N LEU A 271 -4.037 11.599 -0.182 1.00 0.00 N ATOM 269 CA LEU A 271 -3.975 12.887 -0.867 1.00 0.00 C ATOM 270 C LEU A 271 -3.848 14.042 0.124 1.00 0.00 C ATOM 271 O LEU A 271 -3.102 14.992 -0.114 1.00 0.00 O ATOM 272 CB LEU A 271 -5.210 13.079 -1.750 1.00 0.00 C ATOM 273 CG LEU A 271 -5.294 12.138 -2.955 1.00 0.00 C ATOM 274 CD1 LEU A 271 -6.595 12.352 -3.713 1.00 0.00 C ATOM 275 CD2 LEU A 271 -4.100 12.342 -3.876 1.00 0.00 C ATOM 0 H LEU A 271 -4.914 11.094 -0.311 1.00 0.00 H new ATOM 0 HA LEU A 271 -3.085 12.887 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 271 -6.101 12.942 -1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 271 -5.225 14.108 -2.109 1.00 0.00 H new ATOM 0 HG LEU A 271 -5.276 11.111 -2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 271 -6.635 11.674 -4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 271 -7.438 12.154 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 271 -6.645 13.382 -4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 271 -4.177 11.665 -4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 271 -4.087 13.372 -4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 271 -3.180 12.135 -3.330 1.00 0.00 H new ATOM 287 N LYS A 272 -4.579 13.958 1.233 1.00 0.00 N ATOM 288 CA LYS A 272 -4.542 15.003 2.254 1.00 0.00 C ATOM 289 C LYS A 272 -3.121 15.230 2.758 1.00 0.00 C ATOM 290 O LYS A 272 -2.687 16.370 2.921 1.00 0.00 O ATOM 291 CB LYS A 272 -5.458 14.643 3.425 1.00 0.00 C ATOM 292 CG LYS A 272 -6.933 14.604 3.055 1.00 0.00 C ATOM 293 CD LYS A 272 -7.423 15.960 2.573 1.00 0.00 C ATOM 294 CE LYS A 272 -8.887 15.911 2.167 1.00 0.00 C ATOM 295 NZ LYS A 272 -9.377 17.234 1.691 1.00 0.00 N ATOM 0 H LYS A 272 -5.202 13.180 1.448 1.00 0.00 H new ATOM 0 HA LYS A 272 -4.897 15.926 1.796 1.00 0.00 H new ATOM 0 HB2 LYS A 272 -5.165 13.670 3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 272 -5.312 15.368 4.226 1.00 0.00 H new ATOM 0 HG2 LYS A 272 -7.094 13.860 2.275 1.00 0.00 H new ATOM 0 HG3 LYS A 272 -7.518 14.291 3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 272 -7.288 16.699 3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 272 -6.820 16.286 1.725 1.00 0.00 H new ATOM 0 HE2 LYS A 272 -9.020 15.170 1.379 1.00 0.00 H new ATOM 0 HE3 LYS A 272 -9.488 15.585 3.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 -10.379 17.157 1.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 -9.274 17.936 2.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 -8.821 17.534 0.865 1.00 0.00 H new ATOM 396 N MET B 1 15.664 0.182 2.271 1.00 0.00 N ATOM 397 CA MET B 1 14.864 1.325 2.783 1.00 0.00 C ATOM 398 C MET B 1 13.662 0.840 3.587 1.00 0.00 C ATOM 399 O MET B 1 12.944 -0.067 3.164 1.00 0.00 O ATOM 400 CB MET B 1 14.400 2.168 1.594 1.00 0.00 C ATOM 401 CG MET B 1 13.584 3.386 1.996 1.00 0.00 C ATOM 402 SD MET B 1 13.046 4.362 0.579 1.00 0.00 S ATOM 403 CE MET B 1 12.012 3.178 -0.279 1.00 0.00 C ATOM 0 H1 MET B 1 16.511 0.541 1.786 1.00 0.00 H new ATOM 0 H2 MET B 1 15.951 -0.425 3.066 1.00 0.00 H new ATOM 0 H3 MET B 1 15.091 -0.371 1.602 1.00 0.00 H new ATOM 0 HA MET B 1 15.484 1.925 3.449 1.00 0.00 H new ATOM 0 HB2 MET B 1 15.272 2.495 1.028 1.00 0.00 H new ATOM 0 HB3 MET B 1 13.804 1.545 0.928 1.00 0.00 H new ATOM 0 HG2 MET B 1 12.710 3.062 2.562 1.00 0.00 H new ATOM 0 HG3 MET B 1 14.179 4.014 2.660 1.00 0.00 H new ATOM 0 HE1 MET B 1 12.509 2.857 -1.195 1.00 0.00 H new ATOM 0 HE2 MET B 1 11.840 2.314 0.362 1.00 0.00 H new ATOM 0 HE3 MET B 1 11.057 3.642 -0.528 1.00 0.00 H new ATOM 415 N GLN B 2 13.450 1.449 4.750 1.00 0.00 N ATOM 416 CA GLN B 2 12.336 1.081 5.615 1.00 0.00 C ATOM 417 C GLN B 2 11.047 1.766 5.175 1.00 0.00 C ATOM 418 O GLN B 2 11.063 2.914 4.735 1.00 0.00 O ATOM 419 CB GLN B 2 12.645 1.443 7.070 1.00 0.00 C ATOM 420 CG GLN B 2 13.896 0.770 7.618 1.00 0.00 C ATOM 421 CD GLN B 2 13.768 -0.741 7.736 1.00 0.00 C ATOM 422 OE1 GLN B 2 12.586 -1.275 7.440 1.00 0.00 O flip ATOM 423 NE2 GLN B 2 14.726 -1.424 8.099 1.00 0.00 N flip ATOM 0 H GLN B 2 14.036 2.200 5.115 1.00 0.00 H new ATOM 0 HA GLN B 2 12.197 0.003 5.536 1.00 0.00 H new ATOM 0 HB2 GLN B 2 12.761 2.524 7.149 1.00 0.00 H new ATOM 0 HB3 GLN B 2 11.793 1.167 7.692 1.00 0.00 H new ATOM 0 HG2 GLN B 2 14.740 1.006 6.970 1.00 0.00 H new ATOM 0 HG3 GLN B 2 14.122 1.186 8.600 1.00 0.00 H new ATOM 0 HE21 GLN B 2 15.617 -0.978 8.317 1.00 0.00 H new ATOM 0 HE22 GLN B 2 14.629 -2.436 8.181 1.00 0.00 H new ATOM 432 N ILE B 3 9.932 1.055 5.307 1.00 0.00 N ATOM 433 CA ILE B 3 8.626 1.590 4.936 1.00 0.00 C ATOM 434 C ILE B 3 7.546 1.046 5.865 1.00 0.00 C ATOM 435 O ILE B 3 7.588 -0.122 6.262 1.00 0.00 O ATOM 436 CB ILE B 3 8.252 1.250 3.477 1.00 0.00 C ATOM 437 CG1 ILE B 3 8.230 -0.266 3.268 1.00 0.00 C ATOM 438 CG2 ILE B 3 9.223 1.912 2.509 1.00 0.00 C ATOM 439 CD1 ILE B 3 7.757 -0.682 1.892 1.00 0.00 C ATOM 0 H ILE B 3 9.907 0.102 5.670 1.00 0.00 H new ATOM 0 HA ILE B 3 8.690 2.674 5.030 1.00 0.00 H new ATOM 0 HB ILE B 3 7.253 1.637 3.278 1.00 0.00 H new ATOM 0 HG12 ILE B 3 9.232 -0.662 3.433 1.00 0.00 H new ATOM 0 HG13 ILE B 3 7.581 -0.718 4.018 1.00 0.00 H new ATOM 0 HG21 ILE B 3 8.944 1.661 1.486 1.00 0.00 H new ATOM 0 HG22 ILE B 3 9.187 2.993 2.640 1.00 0.00 H new ATOM 0 HG23 ILE B 3 10.234 1.556 2.707 1.00 0.00 H new ATOM 0 HD11 ILE B 3 7.768 -1.769 1.817 1.00 0.00 H new ATOM 0 HD12 ILE B 3 6.743 -0.317 1.730 1.00 0.00 H new ATOM 0 HD13 ILE B 3 8.419 -0.260 1.136 1.00 0.00 H new ATOM 451 N PHE B 4 6.588 1.897 6.222 1.00 0.00 N ATOM 452 CA PHE B 4 5.508 1.492 7.114 1.00 0.00 C ATOM 453 C PHE B 4 4.189 1.319 6.376 1.00 0.00 C ATOM 454 O PHE B 4 3.787 2.172 5.584 1.00 0.00 O ATOM 455 CB PHE B 4 5.324 2.503 8.246 1.00 0.00 C ATOM 456 CG PHE B 4 6.316 2.348 9.360 1.00 0.00 C ATOM 457 CD1 PHE B 4 7.592 2.876 9.255 1.00 0.00 C ATOM 458 CD2 PHE B 4 5.962 1.678 10.519 1.00 0.00 C ATOM 459 CE1 PHE B 4 8.499 2.735 10.287 1.00 0.00 C ATOM 460 CE2 PHE B 4 6.863 1.533 11.554 1.00 0.00 C ATOM 461 CZ PHE B 4 8.134 2.064 11.438 1.00 0.00 C ATOM 0 H PHE B 4 6.538 2.866 5.909 1.00 0.00 H new ATOM 0 HA PHE B 4 5.796 0.527 7.531 1.00 0.00 H new ATOM 0 HB2 PHE B 4 5.404 3.511 7.838 1.00 0.00 H new ATOM 0 HB3 PHE B 4 4.317 2.402 8.651 1.00 0.00 H new ATOM 0 HD1 PHE B 4 7.881 3.403 8.358 1.00 0.00 H new ATOM 0 HD2 PHE B 4 4.969 1.264 10.614 1.00 0.00 H new ATOM 0 HE1 PHE B 4 9.492 3.149 10.194 1.00 0.00 H new ATOM 0 HE2 PHE B 4 6.576 1.006 12.452 1.00 0.00 H new ATOM 0 HZ PHE B 4 8.841 1.954 12.247 1.00 0.00 H new ATOM 471 N VAL B 5 3.506 0.217 6.668 1.00 0.00 N ATOM 472 CA VAL B 5 2.213 -0.066 6.065 1.00 0.00 C ATOM 473 C VAL B 5 1.108 0.141 7.094 1.00 0.00 C ATOM 474 O VAL B 5 1.114 -0.489 8.153 1.00 0.00 O ATOM 475 CB VAL B 5 2.142 -1.509 5.527 1.00 0.00 C ATOM 476 CG1 VAL B 5 0.807 -1.762 4.841 1.00 0.00 C ATOM 477 CG2 VAL B 5 3.299 -1.783 4.578 1.00 0.00 C ATOM 0 H VAL B 5 3.830 -0.496 7.322 1.00 0.00 H new ATOM 0 HA VAL B 5 2.080 0.619 5.227 1.00 0.00 H new ATOM 0 HB VAL B 5 2.224 -2.195 6.370 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.778 -2.786 4.469 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -0.003 -1.612 5.555 1.00 0.00 H new ATOM 0 HG13 VAL B 5 0.689 -1.069 4.008 1.00 0.00 H new ATOM 0 HG21 VAL B 5 3.232 -2.806 4.209 1.00 0.00 H new ATOM 0 HG22 VAL B 5 3.252 -1.090 3.738 1.00 0.00 H new ATOM 0 HG23 VAL B 5 4.243 -1.649 5.107 1.00 0.00 H new ATOM 487 N LYS B 6 0.172 1.035 6.789 1.00 0.00 N ATOM 488 CA LYS B 6 -0.925 1.325 7.703 1.00 0.00 C ATOM 489 C LYS B 6 -2.206 0.616 7.277 1.00 0.00 C ATOM 490 O LYS B 6 -2.566 0.604 6.098 1.00 0.00 O ATOM 491 CB LYS B 6 -1.149 2.841 7.809 1.00 0.00 C ATOM 492 CG LYS B 6 -1.573 3.511 6.507 1.00 0.00 C ATOM 493 CD LYS B 6 -3.081 3.454 6.286 1.00 0.00 C ATOM 494 CE LYS B 6 -3.839 4.353 7.255 1.00 0.00 C ATOM 495 NZ LYS B 6 -3.754 3.870 8.662 1.00 0.00 N ATOM 0 H LYS B 6 0.152 1.568 5.920 1.00 0.00 H new ATOM 0 HA LYS B 6 -0.651 0.946 8.687 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -1.911 3.031 8.565 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -0.229 3.308 8.160 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -1.249 4.552 6.515 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -1.068 3.027 5.671 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -3.308 3.753 5.263 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -3.425 2.426 6.402 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -3.439 5.365 7.196 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -4.885 4.406 6.954 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -4.623 4.129 9.171 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -3.645 2.836 8.668 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -2.935 4.307 9.130 1.00 0.00 H new ATOM 509 N THR B 7 -2.892 0.029 8.251 1.00 0.00 N ATOM 510 CA THR B 7 -4.139 -0.678 7.997 1.00 0.00 C ATOM 511 C THR B 7 -5.331 0.246 8.221 1.00 0.00 C ATOM 512 O THR B 7 -5.233 1.226 8.961 1.00 0.00 O ATOM 513 CB THR B 7 -4.277 -1.920 8.894 1.00 0.00 C ATOM 514 OG1 THR B 7 -4.276 -1.533 10.273 1.00 0.00 O ATOM 515 CG2 THR B 7 -3.139 -2.898 8.636 1.00 0.00 C ATOM 0 H THR B 7 -2.602 0.030 9.229 1.00 0.00 H new ATOM 0 HA THR B 7 -4.122 -1.005 6.957 1.00 0.00 H new ATOM 0 HB THR B 7 -5.221 -2.410 8.657 1.00 0.00 H new ATOM 0 HG1 THR B 7 -4.366 -2.330 10.836 1.00 0.00 H new ATOM 0 HG21 THR B 7 -3.255 -3.769 9.280 1.00 0.00 H new ATOM 0 HG22 THR B 7 -3.159 -3.213 7.593 1.00 0.00 H new ATOM 0 HG23 THR B 7 -2.187 -2.413 8.850 1.00 0.00 H new ATOM 563 N LYS B 11 -3.033 0.756 12.120 1.00 0.00 N ATOM 564 CA LYS B 11 -1.812 0.102 12.576 1.00 0.00 C ATOM 565 C LYS B 11 -0.731 0.127 11.499 1.00 0.00 C ATOM 566 O LYS B 11 -0.914 -0.407 10.404 1.00 0.00 O ATOM 567 CB LYS B 11 -2.114 -1.345 12.974 1.00 0.00 C ATOM 568 CG LYS B 11 -0.944 -2.061 13.626 1.00 0.00 C ATOM 569 CD LYS B 11 -1.333 -3.457 14.080 1.00 0.00 C ATOM 570 CE LYS B 11 -0.189 -4.153 14.798 1.00 0.00 C ATOM 571 NZ LYS B 11 0.255 -3.397 16.002 1.00 0.00 N ATOM 0 HA LYS B 11 -1.440 0.650 13.441 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -2.961 -1.353 13.660 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -2.418 -1.900 12.086 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -0.115 -2.124 12.921 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -0.592 -1.483 14.481 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -2.196 -3.397 14.743 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -1.635 -4.050 13.217 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -0.502 -5.154 15.094 1.00 0.00 H new ATOM 0 HE3 LYS B 11 0.651 -4.271 14.113 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 0.832 -4.015 16.607 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 0.820 -2.575 15.707 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -0.577 -3.072 16.534 1.00 0.00 H new ATOM 585 N THR B 12 0.402 0.744 11.828 1.00 0.00 N ATOM 586 CA THR B 12 1.528 0.839 10.910 1.00 0.00 C ATOM 587 C THR B 12 2.605 -0.174 11.281 1.00 0.00 C ATOM 588 O THR B 12 2.909 -0.358 12.460 1.00 0.00 O ATOM 589 CB THR B 12 2.138 2.251 10.926 1.00 0.00 C ATOM 590 OG1 THR B 12 2.577 2.581 12.249 1.00 0.00 O ATOM 591 CG2 THR B 12 1.127 3.283 10.450 1.00 0.00 C ATOM 0 H THR B 12 0.562 1.188 12.732 1.00 0.00 H new ATOM 0 HA THR B 12 1.155 0.626 9.908 1.00 0.00 H new ATOM 0 HB THR B 12 2.991 2.261 10.248 1.00 0.00 H new ATOM 0 HG1 THR B 12 2.966 3.481 12.250 1.00 0.00 H new ATOM 0 HG21 THR B 12 1.581 4.274 10.470 1.00 0.00 H new ATOM 0 HG22 THR B 12 0.817 3.046 9.432 1.00 0.00 H new ATOM 0 HG23 THR B 12 0.257 3.270 11.106 1.00 0.00 H new ATOM 599 N ILE B 13 3.176 -0.837 10.279 1.00 0.00 N ATOM 600 CA ILE B 13 4.211 -1.835 10.534 1.00 0.00 C ATOM 601 C ILE B 13 5.471 -1.584 9.710 1.00 0.00 C ATOM 602 O ILE B 13 5.400 -1.252 8.527 1.00 0.00 O ATOM 603 CB ILE B 13 3.707 -3.260 10.236 1.00 0.00 C ATOM 604 CG1 ILE B 13 2.472 -3.583 11.083 1.00 0.00 C ATOM 605 CG2 ILE B 13 4.817 -4.269 10.494 1.00 0.00 C ATOM 606 CD1 ILE B 13 2.718 -3.509 12.576 1.00 0.00 C ATOM 0 H ILE B 13 2.944 -0.704 9.295 1.00 0.00 H new ATOM 0 HA ILE B 13 4.456 -1.745 11.592 1.00 0.00 H new ATOM 0 HB ILE B 13 3.420 -3.319 9.186 1.00 0.00 H new ATOM 0 HG12 ILE B 13 1.672 -2.890 10.821 1.00 0.00 H new ATOM 0 HG13 ILE B 13 2.122 -4.584 10.831 1.00 0.00 H new ATOM 0 HG21 ILE B 13 4.452 -5.274 10.281 1.00 0.00 H new ATOM 0 HG22 ILE B 13 5.667 -4.047 9.849 1.00 0.00 H new ATOM 0 HG23 ILE B 13 5.128 -4.209 11.537 1.00 0.00 H new ATOM 0 HD11 ILE B 13 1.798 -3.750 13.109 1.00 0.00 H new ATOM 0 HD12 ILE B 13 3.495 -4.222 12.853 1.00 0.00 H new ATOM 0 HD13 ILE B 13 3.038 -2.502 12.843 1.00 0.00 H new ATOM 618 N THR B 14 6.625 -1.766 10.352 1.00 0.00 N ATOM 619 CA THR B 14 7.916 -1.584 9.697 1.00 0.00 C ATOM 620 C THR B 14 8.153 -2.682 8.667 1.00 0.00 C ATOM 621 O THR B 14 7.838 -3.847 8.912 1.00 0.00 O ATOM 622 CB THR B 14 9.073 -1.620 10.717 1.00 0.00 C ATOM 623 OG1 THR B 14 8.805 -0.727 11.803 1.00 0.00 O ATOM 624 CG2 THR B 14 10.391 -1.236 10.059 1.00 0.00 C ATOM 0 H THR B 14 6.689 -2.041 11.332 1.00 0.00 H new ATOM 0 HA THR B 14 7.893 -0.609 9.210 1.00 0.00 H new ATOM 0 HB THR B 14 9.154 -2.639 11.096 1.00 0.00 H new ATOM 0 HG1 THR B 14 8.300 0.046 11.474 1.00 0.00 H new ATOM 0 HG21 THR B 14 11.190 -1.269 10.799 1.00 0.00 H new ATOM 0 HG22 THR B 14 10.613 -1.936 9.253 1.00 0.00 H new ATOM 0 HG23 THR B 14 10.314 -0.228 9.653 1.00 0.00 H new ATOM 632 N LEU B 15 8.715 -2.316 7.520 1.00 0.00 N ATOM 633 CA LEU B 15 8.990 -3.296 6.476 1.00 0.00 C ATOM 634 C LEU B 15 10.166 -2.847 5.615 1.00 0.00 C ATOM 635 O LEU B 15 10.138 -1.774 5.013 1.00 0.00 O ATOM 636 CB LEU B 15 7.741 -3.506 5.611 1.00 0.00 C ATOM 637 CG LEU B 15 7.654 -4.852 4.879 1.00 0.00 C ATOM 638 CD1 LEU B 15 8.805 -5.024 3.901 1.00 0.00 C ATOM 639 CD2 LEU B 15 7.626 -6.000 5.877 1.00 0.00 C ATOM 0 H LEU B 15 8.986 -1.360 7.291 1.00 0.00 H new ATOM 0 HA LEU B 15 9.255 -4.243 6.947 1.00 0.00 H new ATOM 0 HB2 LEU B 15 6.861 -3.401 6.246 1.00 0.00 H new ATOM 0 HB3 LEU B 15 7.697 -2.708 4.870 1.00 0.00 H new ATOM 0 HG LEU B 15 6.726 -4.863 4.308 1.00 0.00 H new ATOM 0 HD11 LEU B 15 8.715 -5.987 3.399 1.00 0.00 H new ATOM 0 HD12 LEU B 15 8.776 -4.224 3.161 1.00 0.00 H new ATOM 0 HD13 LEU B 15 9.751 -4.984 4.441 1.00 0.00 H new ATOM 0 HD21 LEU B 15 7.564 -6.947 5.341 1.00 0.00 H new ATOM 0 HD22 LEU B 15 8.535 -5.982 6.478 1.00 0.00 H new ATOM 0 HD23 LEU B 15 6.758 -5.895 6.528 1.00 0.00 H new ATOM 651 N GLU B 16 11.200 -3.682 5.563 1.00 0.00 N ATOM 652 CA GLU B 16 12.392 -3.382 4.779 1.00 0.00 C ATOM 653 C GLU B 16 12.225 -3.857 3.340 1.00 0.00 C ATOM 654 O GLU B 16 11.783 -4.980 3.094 1.00 0.00 O ATOM 655 CB GLU B 16 13.623 -4.034 5.423 1.00 0.00 C ATOM 656 CG GLU B 16 14.932 -3.748 4.699 1.00 0.00 C ATOM 657 CD GLU B 16 15.166 -4.655 3.503 1.00 0.00 C ATOM 658 OE1 GLU B 16 14.379 -5.606 3.313 1.00 0.00 O ATOM 659 OE2 GLU B 16 16.148 -4.424 2.768 1.00 0.00 O ATOM 0 H GLU B 16 11.235 -4.574 6.056 1.00 0.00 H new ATOM 0 HA GLU B 16 12.535 -2.302 4.764 1.00 0.00 H new ATOM 0 HB2 GLU B 16 13.707 -3.687 6.453 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.470 -5.113 5.462 1.00 0.00 H new ATOM 0 HG2 GLU B 16 14.936 -2.710 4.366 1.00 0.00 H new ATOM 0 HG3 GLU B 16 15.759 -3.861 5.400 1.00 0.00 H new ATOM 666 N VAL B 17 12.587 -2.997 2.394 1.00 0.00 N ATOM 667 CA VAL B 17 12.484 -3.328 0.976 1.00 0.00 C ATOM 668 C VAL B 17 13.595 -2.658 0.173 1.00 0.00 C ATOM 669 O VAL B 17 13.822 -1.453 0.289 1.00 0.00 O ATOM 670 CB VAL B 17 11.120 -2.909 0.386 1.00 0.00 C ATOM 671 CG1 VAL B 17 9.991 -3.713 1.010 1.00 0.00 C ATOM 672 CG2 VAL B 17 10.887 -1.418 0.580 1.00 0.00 C ATOM 0 H VAL B 17 12.955 -2.065 2.583 1.00 0.00 H new ATOM 0 HA VAL B 17 12.582 -4.411 0.903 1.00 0.00 H new ATOM 0 HB VAL B 17 11.135 -3.118 -0.684 1.00 0.00 H new ATOM 0 HG11 VAL B 17 9.040 -3.400 0.579 1.00 0.00 H new ATOM 0 HG12 VAL B 17 10.147 -4.774 0.813 1.00 0.00 H new ATOM 0 HG13 VAL B 17 9.975 -3.543 2.086 1.00 0.00 H new ATOM 0 HG21 VAL B 17 9.921 -1.143 0.157 1.00 0.00 H new ATOM 0 HG22 VAL B 17 10.898 -1.184 1.644 1.00 0.00 H new ATOM 0 HG23 VAL B 17 11.676 -0.858 0.077 1.00 0.00 H new ATOM 682 N GLU B 18 14.281 -3.449 -0.646 1.00 0.00 N ATOM 683 CA GLU B 18 15.365 -2.935 -1.474 1.00 0.00 C ATOM 684 C GLU B 18 14.809 -2.150 -2.658 1.00 0.00 C ATOM 685 O GLU B 18 13.845 -2.574 -3.296 1.00 0.00 O ATOM 686 CB GLU B 18 16.246 -4.081 -1.973 1.00 0.00 C ATOM 687 CG GLU B 18 16.881 -4.900 -0.859 1.00 0.00 C ATOM 688 CD GLU B 18 17.855 -4.097 -0.015 1.00 0.00 C ATOM 689 OE1 GLU B 18 17.422 -3.113 0.621 1.00 0.00 O ATOM 690 OE2 GLU B 18 19.051 -4.454 0.010 1.00 0.00 O ATOM 0 H GLU B 18 14.105 -4.448 -0.754 1.00 0.00 H new ATOM 0 HA GLU B 18 15.972 -2.265 -0.865 1.00 0.00 H new ATOM 0 HB2 GLU B 18 15.646 -4.741 -2.599 1.00 0.00 H new ATOM 0 HB3 GLU B 18 17.034 -3.672 -2.605 1.00 0.00 H new ATOM 0 HG2 GLU B 18 16.096 -5.300 -0.217 1.00 0.00 H new ATOM 0 HG3 GLU B 18 17.403 -5.753 -1.294 1.00 0.00 H new ATOM 697 N SER B 19 15.421 -1.006 -2.943 1.00 0.00 N ATOM 698 CA SER B 19 14.987 -0.161 -4.049 1.00 0.00 C ATOM 699 C SER B 19 15.029 -0.924 -5.370 1.00 0.00 C ATOM 700 O SER B 19 14.145 -0.771 -6.214 1.00 0.00 O ATOM 701 CB SER B 19 15.868 1.087 -4.140 1.00 0.00 C ATOM 702 OG SER B 19 15.458 1.925 -5.206 1.00 0.00 O ATOM 0 H SER B 19 16.220 -0.642 -2.423 1.00 0.00 H new ATOM 0 HA SER B 19 13.957 0.141 -3.859 1.00 0.00 H new ATOM 0 HB2 SER B 19 15.820 1.639 -3.201 1.00 0.00 H new ATOM 0 HB3 SER B 19 16.907 0.792 -4.284 1.00 0.00 H new ATOM 0 HG SER B 19 16.036 2.716 -5.241 1.00 0.00 H new ATOM 708 N SER B 20 16.062 -1.743 -5.542 1.00 0.00 N ATOM 709 CA SER B 20 16.224 -2.529 -6.761 1.00 0.00 C ATOM 710 C SER B 20 15.047 -3.480 -6.967 1.00 0.00 C ATOM 711 O SER B 20 14.491 -3.562 -8.062 1.00 0.00 O ATOM 712 CB SER B 20 17.530 -3.323 -6.711 1.00 0.00 C ATOM 713 OG SER B 20 18.645 -2.462 -6.551 1.00 0.00 O ATOM 0 H SER B 20 16.800 -1.880 -4.852 1.00 0.00 H new ATOM 0 HA SER B 20 16.256 -1.837 -7.602 1.00 0.00 H new ATOM 0 HB2 SER B 20 17.495 -4.035 -5.886 1.00 0.00 H new ATOM 0 HB3 SER B 20 17.642 -3.902 -7.628 1.00 0.00 H new ATOM 0 HG SER B 20 19.467 -2.994 -6.520 1.00 0.00 H new ATOM 719 N ASP B 21 14.674 -4.197 -5.910 1.00 0.00 N ATOM 720 CA ASP B 21 13.563 -5.142 -5.981 1.00 0.00 C ATOM 721 C ASP B 21 12.258 -4.430 -6.321 1.00 0.00 C ATOM 722 O ASP B 21 11.963 -3.363 -5.783 1.00 0.00 O ATOM 723 CB ASP B 21 13.418 -5.900 -4.661 1.00 0.00 C ATOM 724 CG ASP B 21 14.616 -6.780 -4.365 1.00 0.00 C ATOM 725 OD1 ASP B 21 14.928 -7.657 -5.198 1.00 0.00 O ATOM 726 OD2 ASP B 21 15.240 -6.597 -3.299 1.00 0.00 O ATOM 0 H ASP B 21 15.124 -4.142 -4.996 1.00 0.00 H new ATOM 0 HA ASP B 21 13.782 -5.855 -6.776 1.00 0.00 H new ATOM 0 HB2 ASP B 21 13.285 -5.186 -3.848 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.519 -6.515 -4.695 1.00 0.00 H new ATOM 731 N THR B 22 11.482 -5.028 -7.221 1.00 0.00 N ATOM 732 CA THR B 22 10.209 -4.451 -7.640 1.00 0.00 C ATOM 733 C THR B 22 9.158 -4.558 -6.535 1.00 0.00 C ATOM 734 O THR B 22 9.491 -4.580 -5.350 1.00 0.00 O ATOM 735 CB THR B 22 9.680 -5.140 -8.913 1.00 0.00 C ATOM 736 OG1 THR B 22 9.454 -6.532 -8.661 1.00 0.00 O ATOM 737 CG2 THR B 22 10.666 -4.984 -10.061 1.00 0.00 C ATOM 0 H THR B 22 11.713 -5.912 -7.674 1.00 0.00 H new ATOM 0 HA THR B 22 10.392 -3.398 -7.852 1.00 0.00 H new ATOM 0 HB THR B 22 8.740 -4.664 -9.192 1.00 0.00 H new ATOM 0 HG1 THR B 22 9.116 -6.961 -9.475 1.00 0.00 H new ATOM 0 HG21 THR B 22 10.272 -5.478 -10.949 1.00 0.00 H new ATOM 0 HG22 THR B 22 10.815 -3.925 -10.271 1.00 0.00 H new ATOM 0 HG23 THR B 22 11.619 -5.437 -9.787 1.00 0.00 H new ATOM 745 N ILE B 23 7.888 -4.621 -6.931 1.00 0.00 N ATOM 746 CA ILE B 23 6.789 -4.723 -5.979 1.00 0.00 C ATOM 747 C ILE B 23 6.594 -6.162 -5.507 1.00 0.00 C ATOM 748 O ILE B 23 6.310 -6.405 -4.335 1.00 0.00 O ATOM 749 CB ILE B 23 5.468 -4.215 -6.590 1.00 0.00 C ATOM 750 CG1 ILE B 23 5.631 -2.782 -7.106 1.00 0.00 C ATOM 751 CG2 ILE B 23 4.344 -4.294 -5.565 1.00 0.00 C ATOM 752 CD1 ILE B 23 5.985 -1.777 -6.029 1.00 0.00 C ATOM 0 H ILE B 23 7.596 -4.603 -7.908 1.00 0.00 H new ATOM 0 HA ILE B 23 7.055 -4.098 -5.126 1.00 0.00 H new ATOM 0 HB ILE B 23 5.208 -4.854 -7.434 1.00 0.00 H new ATOM 0 HG12 ILE B 23 6.407 -2.768 -7.871 1.00 0.00 H new ATOM 0 HG13 ILE B 23 4.703 -2.472 -7.587 1.00 0.00 H new ATOM 0 HG21 ILE B 23 3.418 -3.932 -6.012 1.00 0.00 H new ATOM 0 HG22 ILE B 23 4.213 -5.328 -5.247 1.00 0.00 H new ATOM 0 HG23 ILE B 23 4.595 -3.678 -4.701 1.00 0.00 H new ATOM 0 HD11 ILE B 23 6.083 -0.787 -6.474 1.00 0.00 H new ATOM 0 HD12 ILE B 23 5.198 -1.760 -5.275 1.00 0.00 H new ATOM 0 HD13 ILE B 23 6.929 -2.060 -5.563 1.00 0.00 H new ATOM 764 N ASP B 24 6.736 -7.108 -6.434 1.00 0.00 N ATOM 765 CA ASP B 24 6.563 -8.526 -6.123 1.00 0.00 C ATOM 766 C ASP B 24 7.382 -8.929 -4.900 1.00 0.00 C ATOM 767 O ASP B 24 6.876 -9.601 -4.000 1.00 0.00 O ATOM 768 CB ASP B 24 6.959 -9.384 -7.329 1.00 0.00 C ATOM 769 CG ASP B 24 6.729 -10.866 -7.093 1.00 0.00 C ATOM 770 OD1 ASP B 24 7.355 -11.427 -6.170 1.00 0.00 O ATOM 771 OD2 ASP B 24 5.923 -11.466 -7.835 1.00 0.00 O ATOM 0 H ASP B 24 6.971 -6.918 -7.408 1.00 0.00 H new ATOM 0 HA ASP B 24 5.511 -8.694 -5.894 1.00 0.00 H new ATOM 0 HB2 ASP B 24 6.386 -9.066 -8.200 1.00 0.00 H new ATOM 0 HB3 ASP B 24 8.011 -9.216 -7.560 1.00 0.00 H new ATOM 776 N ASN B 25 8.645 -8.514 -4.869 1.00 0.00 N ATOM 777 CA ASN B 25 9.522 -8.836 -3.748 1.00 0.00 C ATOM 778 C ASN B 25 8.966 -8.259 -2.449 1.00 0.00 C ATOM 779 O ASN B 25 8.942 -8.935 -1.419 1.00 0.00 O ATOM 780 CB ASN B 25 10.933 -8.303 -4.002 1.00 0.00 C ATOM 781 CG ASN B 25 11.875 -8.589 -2.847 1.00 0.00 C ATOM 782 OD1 ASN B 25 12.425 -7.535 -2.255 1.00 0.00 O flip ATOM 783 ND2 ASN B 25 12.105 -9.745 -2.491 1.00 0.00 N flip ATOM 0 H ASN B 25 9.082 -7.957 -5.603 1.00 0.00 H new ATOM 0 HA ASN B 25 9.571 -9.921 -3.653 1.00 0.00 H new ATOM 0 HB2 ASN B 25 11.330 -8.753 -4.912 1.00 0.00 H new ATOM 0 HB3 ASN B 25 10.887 -7.227 -4.172 1.00 0.00 H new ATOM 0 HD21 ASN B 25 11.660 -10.525 -2.974 1.00 0.00 H new ATOM 0 HD22 ASN B 25 12.740 -9.922 -1.713 1.00 0.00 H new ATOM 790 N VAL B 26 8.513 -7.010 -2.510 1.00 0.00 N ATOM 791 CA VAL B 26 7.947 -6.343 -1.343 1.00 0.00 C ATOM 792 C VAL B 26 6.774 -7.140 -0.785 1.00 0.00 C ATOM 793 O VAL B 26 6.652 -7.322 0.427 1.00 0.00 O ATOM 794 CB VAL B 26 7.468 -4.918 -1.685 1.00 0.00 C ATOM 795 CG1 VAL B 26 6.890 -4.234 -0.455 1.00 0.00 C ATOM 796 CG2 VAL B 26 8.605 -4.099 -2.275 1.00 0.00 C ATOM 0 H VAL B 26 8.527 -6.440 -3.356 1.00 0.00 H new ATOM 0 HA VAL B 26 8.737 -6.279 -0.595 1.00 0.00 H new ATOM 0 HB VAL B 26 6.678 -4.992 -2.432 1.00 0.00 H new ATOM 0 HG11 VAL B 26 6.558 -3.230 -0.719 1.00 0.00 H new ATOM 0 HG12 VAL B 26 6.043 -4.810 -0.083 1.00 0.00 H new ATOM 0 HG13 VAL B 26 7.654 -4.172 0.320 1.00 0.00 H new ATOM 0 HG21 VAL B 26 8.247 -3.096 -2.510 1.00 0.00 H new ATOM 0 HG22 VAL B 26 9.419 -4.034 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL B 26 8.965 -4.579 -3.185 1.00 0.00 H new ATOM 806 N LYS B 27 5.917 -7.616 -1.681 1.00 0.00 N ATOM 807 CA LYS B 27 4.753 -8.398 -1.288 1.00 0.00 C ATOM 808 C LYS B 27 5.175 -9.709 -0.637 1.00 0.00 C ATOM 809 O LYS B 27 4.549 -10.163 0.319 1.00 0.00 O ATOM 810 CB LYS B 27 3.864 -8.672 -2.501 1.00 0.00 C ATOM 811 CG LYS B 27 3.339 -7.410 -3.166 1.00 0.00 C ATOM 812 CD LYS B 27 2.484 -6.589 -2.212 1.00 0.00 C ATOM 813 CE LYS B 27 1.979 -5.317 -2.874 1.00 0.00 C ATOM 814 NZ LYS B 27 1.140 -5.608 -4.069 1.00 0.00 N ATOM 0 H LYS B 27 6.008 -7.473 -2.687 1.00 0.00 H new ATOM 0 HA LYS B 27 4.185 -7.821 -0.558 1.00 0.00 H new ATOM 0 HB2 LYS B 27 4.429 -9.250 -3.232 1.00 0.00 H new ATOM 0 HB3 LYS B 27 3.020 -9.288 -2.191 1.00 0.00 H new ATOM 0 HG2 LYS B 27 4.177 -6.807 -3.516 1.00 0.00 H new ATOM 0 HG3 LYS B 27 2.751 -7.678 -4.044 1.00 0.00 H new ATOM 0 HD2 LYS B 27 1.637 -7.186 -1.875 1.00 0.00 H new ATOM 0 HD3 LYS B 27 3.067 -6.334 -1.327 1.00 0.00 H new ATOM 0 HE2 LYS B 27 1.398 -4.739 -2.155 1.00 0.00 H new ATOM 0 HE3 LYS B 27 2.828 -4.699 -3.168 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 1.166 -4.795 -4.717 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 1.508 -6.450 -4.555 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 0.159 -5.782 -3.770 1.00 0.00 H new ATOM 828 N SER B 28 6.240 -10.312 -1.156 1.00 0.00 N ATOM 829 CA SER B 28 6.742 -11.569 -0.613 1.00 0.00 C ATOM 830 C SER B 28 7.141 -11.395 0.850 1.00 0.00 C ATOM 831 O SER B 28 6.756 -12.191 1.709 1.00 0.00 O ATOM 832 CB SER B 28 7.939 -12.063 -1.429 1.00 0.00 C ATOM 833 OG SER B 28 8.419 -13.302 -0.934 1.00 0.00 O ATOM 0 H SER B 28 6.770 -9.952 -1.949 1.00 0.00 H new ATOM 0 HA SER B 28 5.947 -12.312 -0.673 1.00 0.00 H new ATOM 0 HB2 SER B 28 7.650 -12.173 -2.474 1.00 0.00 H new ATOM 0 HB3 SER B 28 8.737 -11.321 -1.395 1.00 0.00 H new ATOM 0 HG SER B 28 9.182 -13.596 -1.473 1.00 0.00 H new ATOM 839 N LYS B 29 7.909 -10.343 1.127 1.00 0.00 N ATOM 840 CA LYS B 29 8.354 -10.057 2.487 1.00 0.00 C ATOM 841 C LYS B 29 7.163 -9.794 3.404 1.00 0.00 C ATOM 842 O LYS B 29 7.086 -10.333 4.508 1.00 0.00 O ATOM 843 CB LYS B 29 9.295 -8.850 2.497 1.00 0.00 C ATOM 844 CG LYS B 29 10.573 -9.065 1.703 1.00 0.00 C ATOM 845 CD LYS B 29 11.451 -7.824 1.715 1.00 0.00 C ATOM 846 CE LYS B 29 12.736 -8.039 0.932 1.00 0.00 C ATOM 847 NZ LYS B 29 13.555 -9.147 1.498 1.00 0.00 N ATOM 0 H LYS B 29 8.235 -9.676 0.428 1.00 0.00 H new ATOM 0 HA LYS B 29 8.891 -10.930 2.857 1.00 0.00 H new ATOM 0 HB2 LYS B 29 8.768 -7.986 2.093 1.00 0.00 H new ATOM 0 HB3 LYS B 29 9.554 -8.611 3.528 1.00 0.00 H new ATOM 0 HG2 LYS B 29 11.125 -9.907 2.121 1.00 0.00 H new ATOM 0 HG3 LYS B 29 10.324 -9.326 0.674 1.00 0.00 H new ATOM 0 HD2 LYS B 29 10.901 -6.985 1.289 1.00 0.00 H new ATOM 0 HD3 LYS B 29 11.692 -7.558 2.744 1.00 0.00 H new ATOM 0 HE2 LYS B 29 12.494 -8.261 -0.107 1.00 0.00 H new ATOM 0 HE3 LYS B 29 13.320 -7.119 0.934 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 14.509 -9.120 1.084 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 13.622 -9.037 2.530 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 13.107 -10.059 1.276 1.00 0.00 H new ATOM 861 N ILE B 30 6.234 -8.964 2.935 1.00 0.00 N ATOM 862 CA ILE B 30 5.043 -8.630 3.708 1.00 0.00 C ATOM 863 C ILE B 30 4.205 -9.873 3.985 1.00 0.00 C ATOM 864 O ILE B 30 3.656 -10.035 5.075 1.00 0.00 O ATOM 865 CB ILE B 30 4.175 -7.582 2.978 1.00 0.00 C ATOM 866 CG1 ILE B 30 4.954 -6.275 2.810 1.00 0.00 C ATOM 867 CG2 ILE B 30 2.878 -7.342 3.738 1.00 0.00 C ATOM 868 CD1 ILE B 30 4.203 -5.213 2.036 1.00 0.00 C ATOM 0 H ILE B 30 6.284 -8.511 2.023 1.00 0.00 H new ATOM 0 HA ILE B 30 5.383 -8.209 4.654 1.00 0.00 H new ATOM 0 HB ILE B 30 3.924 -7.964 1.989 1.00 0.00 H new ATOM 0 HG12 ILE B 30 5.206 -5.884 3.796 1.00 0.00 H new ATOM 0 HG13 ILE B 30 5.894 -6.486 2.301 1.00 0.00 H new ATOM 0 HG21 ILE B 30 2.278 -6.601 3.210 1.00 0.00 H new ATOM 0 HG22 ILE B 30 2.320 -8.276 3.810 1.00 0.00 H new ATOM 0 HG23 ILE B 30 3.105 -6.977 4.740 1.00 0.00 H new ATOM 0 HD11 ILE B 30 4.818 -4.316 1.958 1.00 0.00 H new ATOM 0 HD12 ILE B 30 3.974 -5.584 1.037 1.00 0.00 H new ATOM 0 HD13 ILE B 30 3.275 -4.972 2.555 1.00 0.00 H new ATOM 880 N GLN B 31 4.111 -10.747 2.991 1.00 0.00 N ATOM 881 CA GLN B 31 3.342 -11.978 3.121 1.00 0.00 C ATOM 882 C GLN B 31 3.917 -12.867 4.218 1.00 0.00 C ATOM 883 O GLN B 31 3.180 -13.436 5.018 1.00 0.00 O ATOM 884 CB GLN B 31 3.327 -12.735 1.792 1.00 0.00 C ATOM 885 CG GLN B 31 2.589 -14.062 1.854 1.00 0.00 C ATOM 886 CD GLN B 31 2.612 -14.803 0.532 1.00 0.00 C ATOM 887 OE1 GLN B 31 1.433 -15.062 -0.021 1.00 0.00 O flip ATOM 888 NE2 GLN B 31 3.676 -15.139 0.014 1.00 0.00 N flip ATOM 0 H GLN B 31 4.559 -10.625 2.083 1.00 0.00 H new ATOM 0 HA GLN B 31 2.321 -11.712 3.393 1.00 0.00 H new ATOM 0 HB2 GLN B 31 2.864 -12.107 1.031 1.00 0.00 H new ATOM 0 HB3 GLN B 31 4.354 -12.915 1.475 1.00 0.00 H new ATOM 0 HG2 GLN B 31 3.038 -14.688 2.625 1.00 0.00 H new ATOM 0 HG3 GLN B 31 1.555 -13.885 2.149 1.00 0.00 H new ATOM 0 HE21 GLN B 31 4.559 -14.919 0.474 1.00 0.00 H new ATOM 0 HE22 GLN B 31 3.675 -15.637 -0.876 1.00 0.00 H new ATOM 897 N ASP B 32 5.238 -12.988 4.242 1.00 0.00 N ATOM 898 CA ASP B 32 5.909 -13.817 5.236 1.00 0.00 C ATOM 899 C ASP B 32 5.707 -13.268 6.647 1.00 0.00 C ATOM 900 O ASP B 32 5.434 -14.023 7.581 1.00 0.00 O ATOM 901 CB ASP B 32 7.404 -13.914 4.920 1.00 0.00 C ATOM 902 CG ASP B 32 8.144 -14.831 5.876 1.00 0.00 C ATOM 903 OD1 ASP B 32 8.181 -14.526 7.087 1.00 0.00 O ATOM 904 OD2 ASP B 32 8.685 -15.857 5.413 1.00 0.00 O ATOM 0 H ASP B 32 5.866 -12.524 3.586 1.00 0.00 H new ATOM 0 HA ASP B 32 5.467 -14.813 5.195 1.00 0.00 H new ATOM 0 HB2 ASP B 32 7.533 -14.277 3.901 1.00 0.00 H new ATOM 0 HB3 ASP B 32 7.846 -12.918 4.962 1.00 0.00 H new ATOM 909 N LYS B 33 5.859 -11.955 6.802 1.00 0.00 N ATOM 910 CA LYS B 33 5.711 -11.318 8.109 1.00 0.00 C ATOM 911 C LYS B 33 4.246 -11.212 8.533 1.00 0.00 C ATOM 912 O LYS B 33 3.828 -11.826 9.514 1.00 0.00 O ATOM 913 CB LYS B 33 6.340 -9.922 8.089 1.00 0.00 C ATOM 914 CG LYS B 33 6.311 -9.223 9.439 1.00 0.00 C ATOM 915 CD LYS B 33 6.947 -7.844 9.369 1.00 0.00 C ATOM 916 CE LYS B 33 6.950 -7.164 10.729 1.00 0.00 C ATOM 917 NZ LYS B 33 7.743 -7.930 11.729 1.00 0.00 N ATOM 0 H LYS B 33 6.084 -11.313 6.042 1.00 0.00 H new ATOM 0 HA LYS B 33 6.226 -11.947 8.836 1.00 0.00 H new ATOM 0 HB2 LYS B 33 7.374 -10.003 7.753 1.00 0.00 H new ATOM 0 HB3 LYS B 33 5.815 -9.306 7.359 1.00 0.00 H new ATOM 0 HG2 LYS B 33 5.280 -9.132 9.780 1.00 0.00 H new ATOM 0 HG3 LYS B 33 6.838 -9.830 10.175 1.00 0.00 H new ATOM 0 HD2 LYS B 33 7.970 -7.932 9.002 1.00 0.00 H new ATOM 0 HD3 LYS B 33 6.404 -7.227 8.653 1.00 0.00 H new ATOM 0 HE2 LYS B 33 7.361 -6.159 10.632 1.00 0.00 H new ATOM 0 HE3 LYS B 33 5.925 -7.056 11.084 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 7.936 -7.327 12.554 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 7.206 -8.768 12.030 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 8.642 -8.231 11.302 1.00 0.00 H new ATOM 931 N GLU B 34 3.479 -10.412 7.799 1.00 0.00 N ATOM 932 CA GLU B 34 2.067 -10.201 8.106 1.00 0.00 C ATOM 933 C GLU B 34 1.247 -11.478 7.945 1.00 0.00 C ATOM 934 O GLU B 34 0.308 -11.718 8.705 1.00 0.00 O ATOM 935 CB GLU B 34 1.492 -9.095 7.221 1.00 0.00 C ATOM 936 CG GLU B 34 2.146 -7.741 7.445 1.00 0.00 C ATOM 937 CD GLU B 34 1.514 -6.639 6.618 1.00 0.00 C ATOM 938 OE1 GLU B 34 0.559 -6.930 5.867 1.00 0.00 O ATOM 939 OE2 GLU B 34 1.974 -5.482 6.721 1.00 0.00 O ATOM 0 H GLU B 34 3.812 -9.897 6.984 1.00 0.00 H new ATOM 0 HA GLU B 34 2.004 -9.900 9.152 1.00 0.00 H new ATOM 0 HB2 GLU B 34 1.610 -9.379 6.175 1.00 0.00 H new ATOM 0 HB3 GLU B 34 0.422 -9.009 7.409 1.00 0.00 H new ATOM 0 HG2 GLU B 34 2.079 -7.480 8.501 1.00 0.00 H new ATOM 0 HG3 GLU B 34 3.206 -7.810 7.201 1.00 0.00 H new ATOM 946 N GLY B 35 1.593 -12.287 6.951 1.00 0.00 N ATOM 947 CA GLY B 35 0.859 -13.518 6.715 1.00 0.00 C ATOM 948 C GLY B 35 -0.394 -13.285 5.895 1.00 0.00 C ATOM 949 O GLY B 35 -1.479 -13.738 6.261 1.00 0.00 O ATOM 0 H GLY B 35 2.365 -12.115 6.306 1.00 0.00 H new ATOM 0 HA2 GLY B 35 1.503 -14.230 6.199 1.00 0.00 H new ATOM 0 HA3 GLY B 35 0.588 -13.967 7.670 1.00 0.00 H new ATOM 953 N ILE B 36 -0.241 -12.571 4.783 1.00 0.00 N ATOM 954 CA ILE B 36 -1.362 -12.266 3.901 1.00 0.00 C ATOM 955 C ILE B 36 -0.921 -12.257 2.436 1.00 0.00 C ATOM 956 O ILE B 36 0.103 -11.667 2.094 1.00 0.00 O ATOM 957 CB ILE B 36 -1.990 -10.896 4.244 1.00 0.00 C ATOM 958 CG1 ILE B 36 -2.578 -10.918 5.658 1.00 0.00 C ATOM 959 CG2 ILE B 36 -3.058 -10.525 3.224 1.00 0.00 C ATOM 960 CD1 ILE B 36 -3.181 -9.597 6.087 1.00 0.00 C ATOM 0 H ILE B 36 0.653 -12.192 4.471 1.00 0.00 H new ATOM 0 HA ILE B 36 -2.106 -13.048 4.051 1.00 0.00 H new ATOM 0 HB ILE B 36 -1.207 -10.138 4.208 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -3.344 -11.691 5.711 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -1.795 -11.196 6.363 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -3.488 -9.557 3.483 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -2.610 -10.469 2.232 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -3.842 -11.283 3.226 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -3.577 -9.689 7.098 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -2.414 -8.823 6.067 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -3.987 -9.326 5.405 1.00 0.00 H new ATOM 972 N PRO B 37 -1.694 -12.912 1.548 1.00 0.00 N ATOM 973 CA PRO B 37 -1.379 -12.972 0.116 1.00 0.00 C ATOM 974 C PRO B 37 -1.351 -11.588 -0.531 1.00 0.00 C ATOM 975 O PRO B 37 -2.169 -10.726 -0.206 1.00 0.00 O ATOM 976 CB PRO B 37 -2.514 -13.817 -0.476 1.00 0.00 C ATOM 977 CG PRO B 37 -3.610 -13.755 0.532 1.00 0.00 C ATOM 978 CD PRO B 37 -2.934 -13.641 1.867 1.00 0.00 C ATOM 0 HA PRO B 37 -0.388 -13.391 -0.060 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -2.840 -13.421 -1.438 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -2.193 -14.845 -0.647 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -4.261 -12.900 0.349 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -4.235 -14.647 0.485 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -3.548 -13.098 2.586 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -2.727 -14.620 2.300 1.00 0.00 H new ATOM 986 N PRO B 38 -0.402 -11.354 -1.457 1.00 0.00 N ATOM 987 CA PRO B 38 -0.265 -10.064 -2.148 1.00 0.00 C ATOM 988 C PRO B 38 -1.523 -9.668 -2.916 1.00 0.00 C ATOM 989 O PRO B 38 -1.881 -8.493 -2.972 1.00 0.00 O ATOM 990 CB PRO B 38 0.896 -10.296 -3.122 1.00 0.00 C ATOM 991 CG PRO B 38 1.646 -11.451 -2.557 1.00 0.00 C ATOM 992 CD PRO B 38 0.616 -12.323 -1.902 1.00 0.00 C ATOM 0 HA PRO B 38 -0.096 -9.251 -1.442 1.00 0.00 H new ATOM 0 HB2 PRO B 38 0.532 -10.515 -4.126 1.00 0.00 H new ATOM 0 HB3 PRO B 38 1.530 -9.413 -3.198 1.00 0.00 H new ATOM 0 HG2 PRO B 38 2.178 -11.993 -3.339 1.00 0.00 H new ATOM 0 HG3 PRO B 38 2.393 -11.118 -1.836 1.00 0.00 H new ATOM 0 HD2 PRO B 38 0.202 -13.052 -2.599 1.00 0.00 H new ATOM 0 HD3 PRO B 38 1.034 -12.883 -1.065 1.00 0.00 H new ATOM 1000 N ASP B 39 -2.179 -10.654 -3.520 1.00 0.00 N ATOM 1001 CA ASP B 39 -3.389 -10.406 -4.301 1.00 0.00 C ATOM 1002 C ASP B 39 -4.470 -9.725 -3.464 1.00 0.00 C ATOM 1003 O ASP B 39 -5.089 -8.757 -3.906 1.00 0.00 O ATOM 1004 CB ASP B 39 -3.928 -11.719 -4.872 1.00 0.00 C ATOM 1005 CG ASP B 39 -2.924 -12.413 -5.771 1.00 0.00 C ATOM 1006 OD1 ASP B 39 -1.831 -12.765 -5.280 1.00 0.00 O ATOM 1007 OD2 ASP B 39 -3.230 -12.604 -6.967 1.00 0.00 O ATOM 0 H ASP B 39 -1.894 -11.633 -3.484 1.00 0.00 H new ATOM 0 HA ASP B 39 -3.122 -9.736 -5.118 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -4.199 -12.385 -4.052 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -4.840 -11.520 -5.435 1.00 0.00 H new ATOM 1012 N GLN B 40 -4.703 -10.243 -2.261 1.00 0.00 N ATOM 1013 CA GLN B 40 -5.724 -9.687 -1.375 1.00 0.00 C ATOM 1014 C GLN B 40 -5.378 -8.268 -0.933 1.00 0.00 C ATOM 1015 O GLN B 40 -6.148 -7.335 -1.163 1.00 0.00 O ATOM 1016 CB GLN B 40 -5.907 -10.583 -0.149 1.00 0.00 C ATOM 1017 CG GLN B 40 -6.440 -11.967 -0.481 1.00 0.00 C ATOM 1018 CD GLN B 40 -7.802 -11.922 -1.146 1.00 0.00 C ATOM 1019 OE1 GLN B 40 -8.768 -11.417 -0.575 1.00 0.00 O ATOM 1020 NE2 GLN B 40 -7.885 -12.453 -2.361 1.00 0.00 N ATOM 0 H GLN B 40 -4.201 -11.044 -1.877 1.00 0.00 H new ATOM 0 HA GLN B 40 -6.657 -9.645 -1.937 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -4.950 -10.684 0.363 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -6.591 -10.097 0.547 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -5.735 -12.476 -1.139 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -6.505 -12.556 0.434 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -7.058 -12.861 -2.797 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -8.776 -12.452 -2.858 1.00 0.00 H new ATOM 1029 N GLN B 41 -4.226 -8.109 -0.291 1.00 0.00 N ATOM 1030 CA GLN B 41 -3.797 -6.800 0.189 1.00 0.00 C ATOM 1031 C GLN B 41 -3.473 -5.861 -0.970 1.00 0.00 C ATOM 1032 O GLN B 41 -2.772 -6.235 -1.909 1.00 0.00 O ATOM 1033 CB GLN B 41 -2.580 -6.939 1.105 1.00 0.00 C ATOM 1034 CG GLN B 41 -1.385 -7.605 0.442 1.00 0.00 C ATOM 1035 CD GLN B 41 -0.194 -7.720 1.373 1.00 0.00 C ATOM 1036 OE1 GLN B 41 0.352 -6.715 1.829 1.00 0.00 O ATOM 1037 NE2 GLN B 41 0.211 -8.950 1.666 1.00 0.00 N ATOM 0 H GLN B 41 -3.574 -8.868 -0.091 1.00 0.00 H new ATOM 0 HA GLN B 41 -4.623 -6.369 0.755 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -2.285 -5.949 1.454 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -2.864 -7.516 1.985 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -1.671 -8.599 0.099 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -1.098 -7.034 -0.441 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -0.271 -9.755 1.265 1.00 0.00 H new ATOM 0 HE22 GLN B 41 1.004 -9.090 2.292 1.00 0.00 H new ATOM 1046 N ARG B 42 -3.985 -4.636 -0.890 1.00 0.00 N ATOM 1047 CA ARG B 42 -3.745 -3.638 -1.926 1.00 0.00 C ATOM 1048 C ARG B 42 -3.054 -2.415 -1.328 1.00 0.00 C ATOM 1049 O ARG B 42 -3.540 -1.831 -0.358 1.00 0.00 O ATOM 1050 CB ARG B 42 -5.067 -3.223 -2.578 1.00 0.00 C ATOM 1051 CG ARG B 42 -4.904 -2.386 -3.838 1.00 0.00 C ATOM 1052 CD ARG B 42 -4.488 -3.238 -5.031 1.00 0.00 C ATOM 1053 NE ARG B 42 -3.170 -3.842 -4.855 1.00 0.00 N ATOM 1054 CZ ARG B 42 -2.038 -3.146 -4.804 1.00 0.00 C ATOM 1055 NH1 ARG B 42 -2.059 -1.827 -4.938 1.00 0.00 N ATOM 1056 NH2 ARG B 42 -0.883 -3.770 -4.626 1.00 0.00 N ATOM 0 H ARG B 42 -4.568 -4.311 -0.119 1.00 0.00 H new ATOM 0 HA ARG B 42 -3.098 -4.074 -2.687 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -5.636 -4.120 -2.822 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -5.655 -2.659 -1.854 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -5.843 -1.879 -4.062 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -4.157 -1.611 -3.666 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -5.227 -4.024 -5.187 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -4.484 -2.622 -5.930 1.00 0.00 H new ATOM 0 HE ARG B 42 -3.115 -4.857 -4.766 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -2.945 -1.343 -5.081 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -1.189 -1.296 -4.898 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -0.862 -4.785 -4.528 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -0.015 -3.235 -4.587 1.00 0.00 H new ATOM 1070 N LEU B 43 -1.915 -2.038 -1.906 1.00 0.00 N ATOM 1071 CA LEU B 43 -1.154 -0.889 -1.426 1.00 0.00 C ATOM 1072 C LEU B 43 -1.516 0.380 -2.193 1.00 0.00 C ATOM 1073 O LEU B 43 -1.679 0.358 -3.414 1.00 0.00 O ATOM 1074 CB LEU B 43 0.349 -1.157 -1.542 1.00 0.00 C ATOM 1075 CG LEU B 43 0.877 -2.308 -0.681 1.00 0.00 C ATOM 1076 CD1 LEU B 43 2.372 -2.490 -0.896 1.00 0.00 C ATOM 1077 CD2 LEU B 43 0.579 -2.058 0.791 1.00 0.00 C ATOM 0 H LEU B 43 -1.500 -2.513 -2.708 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.412 -0.738 -0.378 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.584 -1.368 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU B 43 0.885 -0.247 -1.272 1.00 0.00 H new ATOM 0 HG LEU B 43 0.369 -3.223 -0.984 1.00 0.00 H new ATOM 0 HD11 LEU B 43 2.731 -3.312 -0.277 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.564 -2.715 -1.945 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.893 -1.573 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU B 43 0.962 -2.887 1.386 1.00 0.00 H new ATOM 0 HD22 LEU B 43 1.059 -1.132 1.107 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -0.498 -1.975 0.935 1.00 0.00 H new ATOM 1089 N ILE B 44 -1.628 1.487 -1.466 1.00 0.00 N ATOM 1090 CA ILE B 44 -1.961 2.772 -2.067 1.00 0.00 C ATOM 1091 C ILE B 44 -1.063 3.874 -1.515 1.00 0.00 C ATOM 1092 O ILE B 44 -0.744 3.892 -0.327 1.00 0.00 O ATOM 1093 CB ILE B 44 -3.437 3.149 -1.822 1.00 0.00 C ATOM 1094 CG1 ILE B 44 -4.361 2.127 -2.490 1.00 0.00 C ATOM 1095 CG2 ILE B 44 -3.722 4.553 -2.340 1.00 0.00 C ATOM 1096 CD1 ILE B 44 -5.834 2.427 -2.309 1.00 0.00 C ATOM 0 H ILE B 44 -1.492 1.519 -0.456 1.00 0.00 H new ATOM 0 HA ILE B 44 -1.801 2.674 -3.141 1.00 0.00 H new ATOM 0 HB ILE B 44 -3.628 3.138 -0.749 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -4.136 2.089 -3.556 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -4.148 1.138 -2.084 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -4.768 4.802 -2.159 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -3.083 5.269 -1.822 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -3.519 4.594 -3.410 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -6.426 1.660 -2.809 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -6.076 2.436 -1.246 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -6.063 3.401 -2.741 1.00 0.00 H new ATOM 1108 N PHE B 45 -0.657 4.787 -2.389 1.00 0.00 N ATOM 1109 CA PHE B 45 0.209 5.891 -1.996 1.00 0.00 C ATOM 1110 C PHE B 45 0.130 7.023 -3.014 1.00 0.00 C ATOM 1111 O PHE B 45 0.100 6.782 -4.222 1.00 0.00 O ATOM 1112 CB PHE B 45 1.655 5.408 -1.864 1.00 0.00 C ATOM 1113 CG PHE B 45 2.609 6.471 -1.395 1.00 0.00 C ATOM 1114 CD1 PHE B 45 2.354 7.190 -0.238 1.00 0.00 C ATOM 1115 CD2 PHE B 45 3.764 6.746 -2.111 1.00 0.00 C ATOM 1116 CE1 PHE B 45 3.232 8.166 0.196 1.00 0.00 C ATOM 1117 CE2 PHE B 45 4.645 7.721 -1.682 1.00 0.00 C ATOM 1118 CZ PHE B 45 4.379 8.431 -0.527 1.00 0.00 C ATOM 0 H PHE B 45 -0.914 4.784 -3.376 1.00 0.00 H new ATOM 0 HA PHE B 45 -0.130 6.266 -1.030 1.00 0.00 H new ATOM 0 HB2 PHE B 45 1.686 4.571 -1.166 1.00 0.00 H new ATOM 0 HB3 PHE B 45 1.992 5.031 -2.830 1.00 0.00 H new ATOM 0 HD1 PHE B 45 1.459 6.986 0.331 1.00 0.00 H new ATOM 0 HD2 PHE B 45 3.978 6.193 -3.013 1.00 0.00 H new ATOM 0 HE1 PHE B 45 3.021 8.720 1.099 1.00 0.00 H new ATOM 0 HE2 PHE B 45 5.541 7.928 -2.249 1.00 0.00 H new ATOM 0 HZ PHE B 45 5.067 9.192 -0.190 1.00 0.00 H new ATOM 1128 N ALA B 46 0.087 8.256 -2.516 1.00 0.00 N ATOM 1129 CA ALA B 46 0.005 9.427 -3.380 1.00 0.00 C ATOM 1130 C ALA B 46 -1.160 9.298 -4.354 1.00 0.00 C ATOM 1131 O ALA B 46 -1.055 9.675 -5.522 1.00 0.00 O ATOM 1132 CB ALA B 46 1.312 9.621 -4.134 1.00 0.00 C ATOM 0 H ALA B 46 0.108 8.469 -1.519 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.169 10.303 -2.756 1.00 0.00 H new ATOM 0 HB1 ALA B 46 1.235 10.499 -4.775 1.00 0.00 H new ATOM 0 HB2 ALA B 46 2.125 9.761 -3.422 1.00 0.00 H new ATOM 0 HB3 ALA B 46 1.513 8.742 -4.746 1.00 0.00 H new ATOM 1138 N GLY B 47 -2.270 8.757 -3.861 1.00 0.00 N ATOM 1139 CA GLY B 47 -3.445 8.575 -4.692 1.00 0.00 C ATOM 1140 C GLY B 47 -3.178 7.678 -5.886 1.00 0.00 C ATOM 1141 O GLY B 47 -3.718 7.903 -6.970 1.00 0.00 O ATOM 0 H GLY B 47 -2.376 8.441 -2.897 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -4.248 8.147 -4.092 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -3.793 9.547 -5.042 1.00 0.00 H new ATOM 1145 N LYS B 48 -2.346 6.657 -5.687 1.00 0.00 N ATOM 1146 CA LYS B 48 -2.009 5.720 -6.756 1.00 0.00 C ATOM 1147 C LYS B 48 -1.687 4.341 -6.188 1.00 0.00 C ATOM 1148 O LYS B 48 -0.847 4.206 -5.298 1.00 0.00 O ATOM 1149 CB LYS B 48 -0.810 6.230 -7.562 1.00 0.00 C ATOM 1150 CG LYS B 48 -1.067 7.536 -8.297 1.00 0.00 C ATOM 1151 CD LYS B 48 0.164 7.992 -9.064 1.00 0.00 C ATOM 1152 CE LYS B 48 -0.088 9.300 -9.796 1.00 0.00 C ATOM 1153 NZ LYS B 48 -0.441 10.402 -8.858 1.00 0.00 N ATOM 0 H LYS B 48 -1.893 6.458 -4.795 1.00 0.00 H new ATOM 0 HA LYS B 48 -2.876 5.640 -7.412 1.00 0.00 H new ATOM 0 HB2 LYS B 48 0.036 6.365 -6.888 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -0.522 5.468 -8.287 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -1.901 7.409 -8.987 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -1.359 8.306 -7.583 1.00 0.00 H new ATOM 0 HD2 LYS B 48 0.999 8.115 -8.374 1.00 0.00 H new ATOM 0 HD3 LYS B 48 0.453 7.223 -9.780 1.00 0.00 H new ATOM 0 HE2 LYS B 48 0.801 9.576 -10.362 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -0.895 9.164 -10.516 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -0.373 11.314 -9.353 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -1.413 10.267 -8.513 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 0.216 10.396 -8.052 1.00 0.00 H new ATOM 1167 N GLN B 49 -2.357 3.320 -6.712 1.00 0.00 N ATOM 1168 CA GLN B 49 -2.141 1.949 -6.262 1.00 0.00 C ATOM 1169 C GLN B 49 -0.835 1.394 -6.823 1.00 0.00 C ATOM 1170 O GLN B 49 -0.563 1.515 -8.018 1.00 0.00 O ATOM 1171 CB GLN B 49 -3.310 1.054 -6.685 1.00 0.00 C ATOM 1172 CG GLN B 49 -4.649 1.467 -6.092 1.00 0.00 C ATOM 1173 CD GLN B 49 -5.131 2.809 -6.607 1.00 0.00 C ATOM 1174 OE1 GLN B 49 -5.301 3.765 -5.701 1.00 0.00 O flip ATOM 1175 NE2 GLN B 49 -5.345 2.986 -7.807 1.00 0.00 N flip ATOM 0 H GLN B 49 -3.055 3.416 -7.450 1.00 0.00 H new ATOM 0 HA GLN B 49 -2.078 1.959 -5.174 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -3.387 1.063 -7.772 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -3.094 0.027 -6.390 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -5.394 0.706 -6.323 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -4.563 1.509 -5.006 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -5.201 2.223 -8.469 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -5.666 3.895 -8.139 1.00 0.00 H new ATOM 1184 N LEU B 50 -0.034 0.782 -5.956 1.00 0.00 N ATOM 1185 CA LEU B 50 1.240 0.204 -6.374 1.00 0.00 C ATOM 1186 C LEU B 50 1.021 -1.037 -7.232 1.00 0.00 C ATOM 1187 O LEU B 50 0.238 -1.918 -6.878 1.00 0.00 O ATOM 1188 CB LEU B 50 2.104 -0.149 -5.158 1.00 0.00 C ATOM 1189 CG LEU B 50 2.744 1.041 -4.432 1.00 0.00 C ATOM 1190 CD1 LEU B 50 1.683 1.966 -3.857 1.00 0.00 C ATOM 1191 CD2 LEU B 50 3.675 0.550 -3.334 1.00 0.00 C ATOM 0 H LEU B 50 -0.243 0.673 -4.964 1.00 0.00 H new ATOM 0 HA LEU B 50 1.762 0.952 -6.970 1.00 0.00 H new ATOM 0 HB2 LEU B 50 1.489 -0.699 -4.445 1.00 0.00 H new ATOM 0 HB3 LEU B 50 2.897 -0.823 -5.482 1.00 0.00 H new ATOM 0 HG LEU B 50 3.326 1.609 -5.158 1.00 0.00 H new ATOM 0 HD11 LEU B 50 2.165 2.801 -3.348 1.00 0.00 H new ATOM 0 HD12 LEU B 50 1.056 2.346 -4.663 1.00 0.00 H new ATOM 0 HD13 LEU B 50 1.066 1.415 -3.147 1.00 0.00 H new ATOM 0 HD21 LEU B 50 4.122 1.405 -2.827 1.00 0.00 H new ATOM 0 HD22 LEU B 50 3.109 -0.043 -2.615 1.00 0.00 H new ATOM 0 HD23 LEU B 50 4.462 -0.065 -3.772 1.00 0.00 H new ATOM 1203 N GLU B 51 1.718 -1.095 -8.363 1.00 0.00 N ATOM 1204 CA GLU B 51 1.611 -2.219 -9.281 1.00 0.00 C ATOM 1205 C GLU B 51 2.153 -3.496 -8.643 1.00 0.00 C ATOM 1206 O GLU B 51 2.038 -3.699 -7.435 1.00 0.00 O ATOM 1207 CB GLU B 51 2.374 -1.897 -10.566 1.00 0.00 C ATOM 1208 CG GLU B 51 1.784 -2.560 -11.795 1.00 0.00 C ATOM 1209 CD GLU B 51 2.562 -2.252 -13.060 1.00 0.00 C ATOM 1210 OE1 GLU B 51 3.760 -2.599 -13.120 1.00 0.00 O ATOM 1211 OE2 GLU B 51 1.972 -1.665 -13.991 1.00 0.00 O ATOM 0 H GLU B 51 2.368 -0.369 -8.665 1.00 0.00 H new ATOM 0 HA GLU B 51 0.560 -2.385 -9.517 1.00 0.00 H new ATOM 0 HB2 GLU B 51 2.384 -0.817 -10.714 1.00 0.00 H new ATOM 0 HB3 GLU B 51 3.411 -2.213 -10.454 1.00 0.00 H new ATOM 0 HG2 GLU B 51 1.759 -3.639 -11.643 1.00 0.00 H new ATOM 0 HG3 GLU B 51 0.752 -2.231 -11.919 1.00 0.00 H new ATOM 1218 N ASP B 52 2.742 -4.351 -9.466 1.00 0.00 N ATOM 1219 CA ASP B 52 3.304 -5.610 -8.990 1.00 0.00 C ATOM 1220 C ASP B 52 4.386 -6.119 -9.940 1.00 0.00 C ATOM 1221 O ASP B 52 4.425 -7.303 -10.278 1.00 0.00 O ATOM 1222 CB ASP B 52 2.200 -6.660 -8.837 1.00 0.00 C ATOM 1223 CG ASP B 52 1.463 -6.932 -10.135 1.00 0.00 C ATOM 1224 OD1 ASP B 52 1.799 -6.297 -11.157 1.00 0.00 O ATOM 1225 OD2 ASP B 52 0.547 -7.781 -10.129 1.00 0.00 O ATOM 0 H ASP B 52 2.844 -4.197 -10.469 1.00 0.00 H new ATOM 0 HA ASP B 52 3.760 -5.431 -8.016 1.00 0.00 H new ATOM 0 HB2 ASP B 52 2.637 -7.589 -8.471 1.00 0.00 H new ATOM 0 HB3 ASP B 52 1.488 -6.324 -8.083 1.00 0.00 H new ATOM 1230 N GLY B 53 5.266 -5.215 -10.363 1.00 0.00 N ATOM 1231 CA GLY B 53 6.340 -5.587 -11.266 1.00 0.00 C ATOM 1232 C GLY B 53 7.151 -4.392 -11.731 1.00 0.00 C ATOM 1233 O GLY B 53 7.457 -4.267 -12.916 1.00 0.00 O ATOM 0 H GLY B 53 5.254 -4.231 -10.096 1.00 0.00 H new ATOM 0 HA2 GLY B 53 7.000 -6.297 -10.767 1.00 0.00 H new ATOM 0 HA3 GLY B 53 5.920 -6.097 -12.133 1.00 0.00 H new ATOM 1237 N ARG B 54 7.496 -3.510 -10.794 1.00 0.00 N ATOM 1238 CA ARG B 54 8.271 -2.316 -11.108 1.00 0.00 C ATOM 1239 C ARG B 54 9.158 -1.915 -9.934 1.00 0.00 C ATOM 1240 O ARG B 54 8.735 -1.958 -8.779 1.00 0.00 O ATOM 1241 CB ARG B 54 7.339 -1.159 -11.469 1.00 0.00 C ATOM 1242 CG ARG B 54 6.595 -1.357 -12.781 1.00 0.00 C ATOM 1243 CD ARG B 54 7.549 -1.385 -13.965 1.00 0.00 C ATOM 1244 NE ARG B 54 6.856 -1.657 -15.221 1.00 0.00 N ATOM 1245 CZ ARG B 54 7.465 -1.724 -16.401 1.00 0.00 C ATOM 1246 NH1 ARG B 54 8.775 -1.532 -16.489 1.00 0.00 N ATOM 1247 NH2 ARG B 54 6.764 -1.985 -17.496 1.00 0.00 N ATOM 0 H ARG B 54 7.249 -3.603 -9.809 1.00 0.00 H new ATOM 0 HA ARG B 54 8.909 -2.545 -11.962 1.00 0.00 H new ATOM 0 HB2 ARG B 54 6.613 -1.026 -10.667 1.00 0.00 H new ATOM 0 HB3 ARG B 54 7.922 -0.240 -11.528 1.00 0.00 H new ATOM 0 HG2 ARG B 54 6.032 -2.290 -12.744 1.00 0.00 H new ATOM 0 HG3 ARG B 54 5.871 -0.553 -12.915 1.00 0.00 H new ATOM 0 HD2 ARG B 54 8.066 -0.428 -14.036 1.00 0.00 H new ATOM 0 HD3 ARG B 54 8.310 -2.147 -13.799 1.00 0.00 H new ATOM 0 HE ARG B 54 5.847 -1.804 -15.192 1.00 0.00 H new ATOM 0 HH11 ARG B 54 9.319 -1.332 -15.649 1.00 0.00 H new ATOM 0 HH12 ARG B 54 9.238 -1.584 -17.396 1.00 0.00 H new ATOM 0 HH21 ARG B 54 5.757 -2.134 -17.433 1.00 0.00 H new ATOM 0 HH22 ARG B 54 7.232 -2.036 -18.401 1.00 0.00 H new ATOM 1261 N THR B 55 10.392 -1.529 -10.242 1.00 0.00 N ATOM 1262 CA THR B 55 11.350 -1.122 -9.220 1.00 0.00 C ATOM 1263 C THR B 55 10.846 0.083 -8.432 1.00 0.00 C ATOM 1264 O THR B 55 10.293 1.024 -9.001 1.00 0.00 O ATOM 1265 CB THR B 55 12.717 -0.778 -9.840 1.00 0.00 C ATOM 1266 OG1 THR B 55 12.575 0.295 -10.777 1.00 0.00 O ATOM 1267 CG2 THR B 55 13.314 -1.990 -10.539 1.00 0.00 C ATOM 0 H THR B 55 10.753 -1.489 -11.195 1.00 0.00 H new ATOM 0 HA THR B 55 11.465 -1.969 -8.543 1.00 0.00 H new ATOM 0 HB THR B 55 13.388 -0.473 -9.037 1.00 0.00 H new ATOM 0 HG1 THR B 55 13.084 1.072 -10.464 1.00 0.00 H new ATOM 0 HG21 THR B 55 14.279 -1.723 -10.969 1.00 0.00 H new ATOM 0 HG22 THR B 55 13.449 -2.796 -9.818 1.00 0.00 H new ATOM 0 HG23 THR B 55 12.642 -2.320 -11.331 1.00 0.00 H new ATOM 1275 N LEU B 56 11.045 0.045 -7.117 1.00 0.00 N ATOM 1276 CA LEU B 56 10.615 1.129 -6.240 1.00 0.00 C ATOM 1277 C LEU B 56 11.311 2.437 -6.603 1.00 0.00 C ATOM 1278 O LEU B 56 10.774 3.521 -6.369 1.00 0.00 O ATOM 1279 CB LEU B 56 10.897 0.776 -4.777 1.00 0.00 C ATOM 1280 CG LEU B 56 10.194 -0.483 -4.266 1.00 0.00 C ATOM 1281 CD1 LEU B 56 10.562 -0.747 -2.815 1.00 0.00 C ATOM 1282 CD2 LEU B 56 8.685 -0.352 -4.417 1.00 0.00 C ATOM 0 H LEU B 56 11.503 -0.728 -6.635 1.00 0.00 H new ATOM 0 HA LEU B 56 9.541 1.262 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU B 56 11.972 0.650 -4.651 1.00 0.00 H new ATOM 0 HB3 LEU B 56 10.600 1.618 -4.152 1.00 0.00 H new ATOM 0 HG LEU B 56 10.528 -1.330 -4.866 1.00 0.00 H new ATOM 0 HD11 LEU B 56 10.053 -1.646 -2.468 1.00 0.00 H new ATOM 0 HD12 LEU B 56 11.640 -0.886 -2.732 1.00 0.00 H new ATOM 0 HD13 LEU B 56 10.257 0.101 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU B 56 8.202 -1.257 -4.048 1.00 0.00 H new ATOM 0 HD22 LEU B 56 8.335 0.506 -3.843 1.00 0.00 H new ATOM 0 HD23 LEU B 56 8.435 -0.211 -5.469 1.00 0.00 H new ATOM 1294 N SER B 57 12.511 2.328 -7.169 1.00 0.00 N ATOM 1295 CA SER B 57 13.286 3.501 -7.559 1.00 0.00 C ATOM 1296 C SER B 57 12.455 4.447 -8.420 1.00 0.00 C ATOM 1297 O SER B 57 12.511 5.666 -8.247 1.00 0.00 O ATOM 1298 CB SER B 57 14.543 3.078 -8.321 1.00 0.00 C ATOM 1299 OG SER B 57 14.212 2.352 -9.492 1.00 0.00 O ATOM 0 H SER B 57 12.967 1.438 -7.367 1.00 0.00 H new ATOM 0 HA SER B 57 13.577 4.027 -6.650 1.00 0.00 H new ATOM 0 HB2 SER B 57 15.123 3.961 -8.589 1.00 0.00 H new ATOM 0 HB3 SER B 57 15.174 2.466 -7.676 1.00 0.00 H new ATOM 0 HG SER B 57 15.033 2.095 -9.961 1.00 0.00 H new ATOM 1305 N ASP B 58 11.683 3.882 -9.342 1.00 0.00 N ATOM 1306 CA ASP B 58 10.838 4.682 -10.221 1.00 0.00 C ATOM 1307 C ASP B 58 9.833 5.488 -9.404 1.00 0.00 C ATOM 1308 O ASP B 58 9.664 6.689 -9.617 1.00 0.00 O ATOM 1309 CB ASP B 58 10.103 3.786 -11.218 1.00 0.00 C ATOM 1310 CG ASP B 58 9.221 4.577 -12.165 1.00 0.00 C ATOM 1311 OD1 ASP B 58 9.757 5.437 -12.895 1.00 0.00 O ATOM 1312 OD2 ASP B 58 7.996 4.336 -12.176 1.00 0.00 O ATOM 0 H ASP B 58 11.625 2.876 -9.500 1.00 0.00 H new ATOM 0 HA ASP B 58 11.475 5.372 -10.774 1.00 0.00 H new ATOM 0 HB2 ASP B 58 10.831 3.215 -11.795 1.00 0.00 H new ATOM 0 HB3 ASP B 58 9.493 3.066 -10.674 1.00 0.00 H new ATOM 1317 N TYR B 59 9.178 4.817 -8.462 1.00 0.00 N ATOM 1318 CA TYR B 59 8.196 5.465 -7.600 1.00 0.00 C ATOM 1319 C TYR B 59 8.875 6.465 -6.669 1.00 0.00 C ATOM 1320 O TYR B 59 8.210 7.283 -6.035 1.00 0.00 O ATOM 1321 CB TYR B 59 7.419 4.426 -6.781 1.00 0.00 C ATOM 1322 CG TYR B 59 6.536 3.515 -7.610 1.00 0.00 C ATOM 1323 CD1 TYR B 59 7.038 2.824 -8.708 1.00 0.00 C ATOM 1324 CD2 TYR B 59 5.194 3.345 -7.289 1.00 0.00 C ATOM 1325 CE1 TYR B 59 6.229 1.995 -9.461 1.00 0.00 C ATOM 1326 CE2 TYR B 59 4.380 2.517 -8.038 1.00 0.00 C ATOM 1327 CZ TYR B 59 4.902 1.844 -9.121 1.00 0.00 C ATOM 1328 OH TYR B 59 4.093 1.019 -9.868 1.00 0.00 O ATOM 0 H TYR B 59 9.310 3.823 -8.276 1.00 0.00 H new ATOM 0 HA TYR B 59 7.492 6.001 -8.236 1.00 0.00 H new ATOM 0 HB2 TYR B 59 8.129 3.816 -6.222 1.00 0.00 H new ATOM 0 HB3 TYR B 59 6.800 4.946 -6.049 1.00 0.00 H new ATOM 0 HD1 TYR B 59 8.078 2.938 -8.976 1.00 0.00 H new ATOM 0 HD2 TYR B 59 4.781 3.869 -6.440 1.00 0.00 H new ATOM 0 HE1 TYR B 59 6.635 1.468 -10.312 1.00 0.00 H new ATOM 0 HE2 TYR B 59 3.339 2.398 -7.776 1.00 0.00 H new ATOM 0 HH TYR B 59 4.630 0.293 -10.250 1.00 0.00 H new ATOM 1338 N ASN B 60 10.205 6.380 -6.593 1.00 0.00 N ATOM 1339 CA ASN B 60 11.005 7.264 -5.744 1.00 0.00 C ATOM 1340 C ASN B 60 10.395 7.398 -4.351 1.00 0.00 C ATOM 1341 O ASN B 60 10.344 8.490 -3.784 1.00 0.00 O ATOM 1342 CB ASN B 60 11.177 8.644 -6.396 1.00 0.00 C ATOM 1343 CG ASN B 60 9.863 9.367 -6.630 1.00 0.00 C ATOM 1344 OD1 ASN B 60 9.139 9.689 -5.688 1.00 0.00 O ATOM 1345 ND2 ASN B 60 9.548 9.626 -7.894 1.00 0.00 N ATOM 0 H ASN B 60 10.755 5.699 -7.116 1.00 0.00 H new ATOM 0 HA ASN B 60 11.991 6.812 -5.635 1.00 0.00 H new ATOM 0 HB2 ASN B 60 11.815 9.260 -5.762 1.00 0.00 H new ATOM 0 HB3 ASN B 60 11.693 8.526 -7.349 1.00 0.00 H new ATOM 0 HD21 ASN B 60 8.677 10.109 -8.114 1.00 0.00 H new ATOM 0 HD22 ASN B 60 10.177 9.342 -8.645 1.00 0.00 H new ATOM 1352 N ILE B 61 9.939 6.276 -3.803 1.00 0.00 N ATOM 1353 CA ILE B 61 9.335 6.264 -2.477 1.00 0.00 C ATOM 1354 C ILE B 61 10.341 6.693 -1.413 1.00 0.00 C ATOM 1355 O ILE B 61 11.390 6.071 -1.249 1.00 0.00 O ATOM 1356 CB ILE B 61 8.794 4.863 -2.126 1.00 0.00 C ATOM 1357 CG1 ILE B 61 7.787 4.403 -3.185 1.00 0.00 C ATOM 1358 CG2 ILE B 61 8.156 4.872 -0.743 1.00 0.00 C ATOM 1359 CD1 ILE B 61 7.286 2.988 -2.979 1.00 0.00 C ATOM 0 H ILE B 61 9.977 5.364 -4.257 1.00 0.00 H new ATOM 0 HA ILE B 61 8.507 6.973 -2.494 1.00 0.00 H new ATOM 0 HB ILE B 61 9.626 4.159 -2.114 1.00 0.00 H new ATOM 0 HG12 ILE B 61 6.936 5.084 -3.183 1.00 0.00 H new ATOM 0 HG13 ILE B 61 8.250 4.475 -4.169 1.00 0.00 H new ATOM 0 HG21 ILE B 61 7.779 3.876 -0.510 1.00 0.00 H new ATOM 0 HG22 ILE B 61 8.900 5.161 -0.001 1.00 0.00 H new ATOM 0 HG23 ILE B 61 7.332 5.585 -0.727 1.00 0.00 H new ATOM 0 HD11 ILE B 61 6.577 2.735 -3.768 1.00 0.00 H new ATOM 0 HD12 ILE B 61 8.127 2.296 -3.011 1.00 0.00 H new ATOM 0 HD13 ILE B 61 6.792 2.914 -2.010 1.00 0.00 H new ATOM 1371 N GLN B 62 10.012 7.761 -0.693 1.00 0.00 N ATOM 1372 CA GLN B 62 10.882 8.276 0.359 1.00 0.00 C ATOM 1373 C GLN B 62 10.882 7.349 1.571 1.00 0.00 C ATOM 1374 O GLN B 62 9.859 6.753 1.908 1.00 0.00 O ATOM 1375 CB GLN B 62 10.457 9.690 0.776 1.00 0.00 C ATOM 1376 CG GLN B 62 9.124 9.764 1.512 1.00 0.00 C ATOM 1377 CD GLN B 62 7.933 9.388 0.648 1.00 0.00 C ATOM 1378 OE1 GLN B 62 7.727 8.220 0.324 1.00 0.00 O ATOM 1379 NE2 GLN B 62 7.144 10.386 0.266 1.00 0.00 N ATOM 0 H GLN B 62 9.148 8.288 -0.819 1.00 0.00 H new ATOM 0 HA GLN B 62 11.895 8.321 -0.041 1.00 0.00 H new ATOM 0 HB2 GLN B 62 11.233 10.114 1.414 1.00 0.00 H new ATOM 0 HB3 GLN B 62 10.400 10.315 -0.115 1.00 0.00 H new ATOM 0 HG2 GLN B 62 9.159 9.102 2.377 1.00 0.00 H new ATOM 0 HG3 GLN B 62 8.983 10.776 1.891 1.00 0.00 H new ATOM 0 HE21 GLN B 62 7.352 11.341 0.558 1.00 0.00 H new ATOM 0 HE22 GLN B 62 6.330 10.197 -0.319 1.00 0.00 H new ATOM 1388 N LYS B 63 12.038 7.229 2.220 1.00 0.00 N ATOM 1389 CA LYS B 63 12.177 6.373 3.395 1.00 0.00 C ATOM 1390 C LYS B 63 11.128 6.716 4.451 1.00 0.00 C ATOM 1391 O LYS B 63 10.711 7.868 4.572 1.00 0.00 O ATOM 1392 CB LYS B 63 13.581 6.508 3.989 1.00 0.00 C ATOM 1393 CG LYS B 63 13.923 7.922 4.427 1.00 0.00 C ATOM 1394 CD LYS B 63 15.339 8.010 4.974 1.00 0.00 C ATOM 1395 CE LYS B 63 15.693 9.432 5.380 1.00 0.00 C ATOM 1396 NZ LYS B 63 17.081 9.530 5.909 1.00 0.00 N ATOM 0 H LYS B 63 12.893 7.715 1.951 1.00 0.00 H new ATOM 0 HA LYS B 63 12.022 5.341 3.080 1.00 0.00 H new ATOM 0 HB2 LYS B 63 13.670 5.840 4.846 1.00 0.00 H new ATOM 0 HB3 LYS B 63 14.312 6.179 3.251 1.00 0.00 H new ATOM 0 HG2 LYS B 63 13.816 8.602 3.582 1.00 0.00 H new ATOM 0 HG3 LYS B 63 13.216 8.248 5.190 1.00 0.00 H new ATOM 0 HD2 LYS B 63 15.439 7.349 5.835 1.00 0.00 H new ATOM 0 HD3 LYS B 63 16.044 7.660 4.220 1.00 0.00 H new ATOM 0 HE2 LYS B 63 15.585 10.093 4.520 1.00 0.00 H new ATOM 0 HE3 LYS B 63 14.990 9.779 6.138 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 17.283 10.515 6.174 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 17.178 8.920 6.745 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 17.754 9.224 5.177 1.00 0.00 H new ATOM 1410 N GLU B 64 10.704 5.703 5.204 1.00 0.00 N ATOM 1411 CA GLU B 64 9.698 5.882 6.248 1.00 0.00 C ATOM 1412 C GLU B 64 8.381 6.369 5.652 1.00 0.00 C ATOM 1413 O GLU B 64 7.695 7.209 6.235 1.00 0.00 O ATOM 1414 CB GLU B 64 10.193 6.873 7.305 1.00 0.00 C ATOM 1415 CG GLU B 64 11.463 6.426 8.010 1.00 0.00 C ATOM 1416 CD GLU B 64 11.277 5.136 8.783 1.00 0.00 C ATOM 1417 OE1 GLU B 64 10.431 5.111 9.701 1.00 0.00 O ATOM 1418 OE2 GLU B 64 11.978 4.151 8.471 1.00 0.00 O ATOM 0 H GLU B 64 11.043 4.746 5.110 1.00 0.00 H new ATOM 0 HA GLU B 64 9.528 4.916 6.723 1.00 0.00 H new ATOM 0 HB2 GLU B 64 10.371 7.838 6.831 1.00 0.00 H new ATOM 0 HB3 GLU B 64 9.409 7.022 8.047 1.00 0.00 H new ATOM 0 HG2 GLU B 64 12.255 6.293 7.273 1.00 0.00 H new ATOM 0 HG3 GLU B 64 11.791 7.210 8.692 1.00 0.00 H new ATOM 1425 N SER B 65 8.038 5.836 4.485 1.00 0.00 N ATOM 1426 CA SER B 65 6.807 6.213 3.802 1.00 0.00 C ATOM 1427 C SER B 65 5.625 5.377 4.282 1.00 0.00 C ATOM 1428 O SER B 65 5.736 4.161 4.448 1.00 0.00 O ATOM 1429 CB SER B 65 6.968 6.054 2.290 1.00 0.00 C ATOM 1430 OG SER B 65 5.790 6.446 1.606 1.00 0.00 O ATOM 0 H SER B 65 8.597 5.140 3.991 1.00 0.00 H new ATOM 0 HA SER B 65 6.606 7.258 4.038 1.00 0.00 H new ATOM 0 HB2 SER B 65 7.809 6.656 1.946 1.00 0.00 H new ATOM 0 HB3 SER B 65 7.201 5.016 2.053 1.00 0.00 H new ATOM 0 HG SER B 65 6.003 7.162 0.972 1.00 0.00 H new ATOM 1436 N THR B 66 4.490 6.039 4.486 1.00 0.00 N ATOM 1437 CA THR B 66 3.276 5.364 4.924 1.00 0.00 C ATOM 1438 C THR B 66 2.502 4.838 3.719 1.00 0.00 C ATOM 1439 O THR B 66 2.319 5.552 2.734 1.00 0.00 O ATOM 1440 CB THR B 66 2.369 6.310 5.735 1.00 0.00 C ATOM 1441 OG1 THR B 66 3.072 6.795 6.885 1.00 0.00 O ATOM 1442 CG2 THR B 66 1.099 5.599 6.177 1.00 0.00 C ATOM 0 H THR B 66 4.387 7.045 4.354 1.00 0.00 H new ATOM 0 HA THR B 66 3.573 4.533 5.564 1.00 0.00 H new ATOM 0 HB THR B 66 2.093 7.148 5.095 1.00 0.00 H new ATOM 0 HG1 THR B 66 2.490 7.397 7.394 1.00 0.00 H new ATOM 0 HG21 THR B 66 0.476 6.288 6.747 1.00 0.00 H new ATOM 0 HG22 THR B 66 0.551 5.255 5.300 1.00 0.00 H new ATOM 0 HG23 THR B 66 1.359 4.744 6.801 1.00 0.00 H new ATOM 1450 N LEU B 67 2.054 3.589 3.795 1.00 0.00 N ATOM 1451 CA LEU B 67 1.307 2.987 2.696 1.00 0.00 C ATOM 1452 C LEU B 67 -0.078 2.540 3.151 1.00 0.00 C ATOM 1453 O LEU B 67 -0.213 1.751 4.084 1.00 0.00 O ATOM 1454 CB LEU B 67 2.078 1.796 2.122 1.00 0.00 C ATOM 1455 CG LEU B 67 3.494 2.110 1.630 1.00 0.00 C ATOM 1456 CD1 LEU B 67 4.163 0.852 1.100 1.00 0.00 C ATOM 1457 CD2 LEU B 67 3.464 3.191 0.557 1.00 0.00 C ATOM 0 H LEU B 67 2.194 2.978 4.600 1.00 0.00 H new ATOM 0 HA LEU B 67 1.184 3.742 1.920 1.00 0.00 H new ATOM 0 HB2 LEU B 67 2.140 1.022 2.887 1.00 0.00 H new ATOM 0 HB3 LEU B 67 1.507 1.380 1.292 1.00 0.00 H new ATOM 0 HG LEU B 67 4.075 2.482 2.474 1.00 0.00 H new ATOM 0 HD11 LEU B 67 5.168 1.093 0.754 1.00 0.00 H new ATOM 0 HD12 LEU B 67 4.221 0.108 1.895 1.00 0.00 H new ATOM 0 HD13 LEU B 67 3.580 0.452 0.270 1.00 0.00 H new ATOM 0 HD21 LEU B 67 4.480 3.399 0.221 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.866 2.849 -0.287 1.00 0.00 H new ATOM 0 HD23 LEU B 67 3.025 4.100 0.968 1.00 0.00 H new ATOM 1469 N HIS B 68 -1.103 3.050 2.477 1.00 0.00 N ATOM 1470 CA HIS B 68 -2.482 2.708 2.802 1.00 0.00 C ATOM 1471 C HIS B 68 -2.826 1.292 2.348 1.00 0.00 C ATOM 1472 O HIS B 68 -2.619 0.928 1.191 1.00 0.00 O ATOM 1473 CB HIS B 68 -3.434 3.724 2.173 1.00 0.00 C ATOM 1474 CG HIS B 68 -3.511 5.006 2.943 1.00 0.00 C ATOM 1475 ND1 HIS B 68 -2.398 5.698 3.372 1.00 0.00 N ATOM 1476 CD2 HIS B 68 -4.579 5.713 3.375 1.00 0.00 C ATOM 1477 CE1 HIS B 68 -2.783 6.772 4.041 1.00 0.00 C ATOM 1478 NE2 HIS B 68 -4.101 6.804 4.057 1.00 0.00 N ATOM 0 H HIS B 68 -1.004 3.704 1.700 1.00 0.00 H new ATOM 0 HA HIS B 68 -2.596 2.741 3.886 1.00 0.00 H new ATOM 0 HB2 HIS B 68 -3.109 3.937 1.155 1.00 0.00 H new ATOM 0 HB3 HIS B 68 -4.430 3.287 2.105 1.00 0.00 H new ATOM 0 HD1 HIS B 68 -1.430 5.425 3.200 1.00 0.00 H new ATOM 0 HD2 HIS B 68 -5.618 5.465 3.213 1.00 0.00 H new ATOM 0 HE1 HIS B 68 -2.128 7.500 4.497 1.00 0.00 H new ATOM 1487 N LEU B 69 -3.339 0.497 3.282 1.00 0.00 N ATOM 1488 CA LEU B 69 -3.707 -0.890 3.008 1.00 0.00 C ATOM 1489 C LEU B 69 -5.162 -1.008 2.553 1.00 0.00 C ATOM 1490 O LEU B 69 -6.029 -0.276 3.025 1.00 0.00 O ATOM 1491 CB LEU B 69 -3.497 -1.734 4.267 1.00 0.00 C ATOM 1492 CG LEU B 69 -3.696 -3.239 4.088 1.00 0.00 C ATOM 1493 CD1 LEU B 69 -2.516 -3.847 3.349 1.00 0.00 C ATOM 1494 CD2 LEU B 69 -3.888 -3.917 5.435 1.00 0.00 C ATOM 0 H LEU B 69 -3.511 0.792 4.243 1.00 0.00 H new ATOM 0 HA LEU B 69 -3.070 -1.253 2.201 1.00 0.00 H new ATOM 0 HB2 LEU B 69 -2.486 -1.560 4.636 1.00 0.00 H new ATOM 0 HB3 LEU B 69 -4.183 -1.383 5.038 1.00 0.00 H new ATOM 0 HG LEU B 69 -4.595 -3.398 3.493 1.00 0.00 H new ATOM 0 HD11 LEU B 69 -2.674 -4.919 3.230 1.00 0.00 H new ATOM 0 HD12 LEU B 69 -2.423 -3.383 2.367 1.00 0.00 H new ATOM 0 HD13 LEU B 69 -1.603 -3.676 3.919 1.00 0.00 H new ATOM 0 HD21 LEU B 69 -4.028 -4.988 5.287 1.00 0.00 H new ATOM 0 HD22 LEU B 69 -3.008 -3.749 6.056 1.00 0.00 H new ATOM 0 HD23 LEU B 69 -4.766 -3.501 5.930 1.00 0.00 H new ATOM 1506 N VAL B 70 -5.424 -1.955 1.652 1.00 0.00 N ATOM 1507 CA VAL B 70 -6.777 -2.195 1.155 1.00 0.00 C ATOM 1508 C VAL B 70 -6.991 -3.689 0.924 1.00 0.00 C ATOM 1509 O VAL B 70 -6.641 -4.222 -0.129 1.00 0.00 O ATOM 1510 CB VAL B 70 -7.067 -1.434 -0.158 1.00 0.00 C ATOM 1511 CG1 VAL B 70 -8.476 -1.736 -0.652 1.00 0.00 C ATOM 1512 CG2 VAL B 70 -6.881 0.064 0.032 1.00 0.00 C ATOM 0 H VAL B 70 -4.715 -2.569 1.251 1.00 0.00 H new ATOM 0 HA VAL B 70 -7.465 -1.825 1.915 1.00 0.00 H new ATOM 0 HB VAL B 70 -6.355 -1.774 -0.910 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -8.662 -1.191 -1.578 1.00 0.00 H new ATOM 0 HG12 VAL B 70 -8.576 -2.806 -0.835 1.00 0.00 H new ATOM 0 HG13 VAL B 70 -9.200 -1.427 0.102 1.00 0.00 H new ATOM 0 HG21 VAL B 70 -7.091 0.579 -0.906 1.00 0.00 H new ATOM 0 HG22 VAL B 70 -7.565 0.421 0.802 1.00 0.00 H new ATOM 0 HG23 VAL B 70 -5.854 0.268 0.336 1.00 0.00 H new ATOM 1522 N LEU B 71 -7.552 -4.359 1.926 1.00 0.00 N ATOM 1523 CA LEU B 71 -7.798 -5.795 1.849 1.00 0.00 C ATOM 1524 C LEU B 71 -8.954 -6.120 0.909 1.00 0.00 C ATOM 1525 O LEU B 71 -10.029 -5.526 0.995 1.00 0.00 O ATOM 1526 CB LEU B 71 -8.087 -6.359 3.242 1.00 0.00 C ATOM 1527 CG LEU B 71 -6.942 -6.221 4.249 1.00 0.00 C ATOM 1528 CD1 LEU B 71 -7.359 -6.760 5.609 1.00 0.00 C ATOM 1529 CD2 LEU B 71 -5.699 -6.945 3.748 1.00 0.00 C ATOM 0 H LEU B 71 -7.846 -3.929 2.803 1.00 0.00 H new ATOM 0 HA LEU B 71 -6.898 -6.261 1.448 1.00 0.00 H new ATOM 0 HB2 LEU B 71 -8.967 -5.857 3.645 1.00 0.00 H new ATOM 0 HB3 LEU B 71 -8.339 -7.415 3.144 1.00 0.00 H new ATOM 0 HG LEU B 71 -6.705 -5.162 4.356 1.00 0.00 H new ATOM 0 HD11 LEU B 71 -6.532 -6.654 6.312 1.00 0.00 H new ATOM 0 HD12 LEU B 71 -8.220 -6.200 5.974 1.00 0.00 H new ATOM 0 HD13 LEU B 71 -7.624 -7.813 5.517 1.00 0.00 H new ATOM 0 HD21 LEU B 71 -4.896 -6.836 4.477 1.00 0.00 H new ATOM 0 HD22 LEU B 71 -5.924 -8.003 3.612 1.00 0.00 H new ATOM 0 HD23 LEU B 71 -5.386 -6.515 2.796 1.00 0.00 H new ATOM 1541 N ARG B 72 -8.719 -7.076 0.018 1.00 0.00 N ATOM 1542 CA ARG B 72 -9.731 -7.505 -0.943 1.00 0.00 C ATOM 1543 C ARG B 72 -10.866 -8.252 -0.245 1.00 0.00 C ATOM 1544 O ARG B 72 -10.626 -9.085 0.629 1.00 0.00 O ATOM 1545 CB ARG B 72 -9.097 -8.402 -2.010 1.00 0.00 C ATOM 1546 CG ARG B 72 -10.098 -8.998 -2.989 1.00 0.00 C ATOM 1547 CD ARG B 72 -10.796 -7.923 -3.807 1.00 0.00 C ATOM 1548 NE ARG B 72 -11.735 -8.493 -4.771 1.00 0.00 N ATOM 1549 CZ ARG B 72 -11.374 -9.286 -5.778 1.00 0.00 C ATOM 1550 NH1 ARG B 72 -10.096 -9.582 -5.971 1.00 0.00 N ATOM 1551 NH2 ARG B 72 -12.293 -9.779 -6.596 1.00 0.00 N ATOM 0 H ARG B 72 -7.831 -7.572 -0.060 1.00 0.00 H new ATOM 0 HA ARG B 72 -10.145 -6.616 -1.419 1.00 0.00 H new ATOM 0 HB2 ARG B 72 -8.360 -7.823 -2.567 1.00 0.00 H new ATOM 0 HB3 ARG B 72 -8.559 -9.212 -1.517 1.00 0.00 H new ATOM 0 HG2 ARG B 72 -9.585 -9.688 -3.658 1.00 0.00 H new ATOM 0 HG3 ARG B 72 -10.841 -9.578 -2.441 1.00 0.00 H new ATOM 0 HD2 ARG B 72 -11.329 -7.247 -3.138 1.00 0.00 H new ATOM 0 HD3 ARG B 72 -10.051 -7.328 -4.335 1.00 0.00 H new ATOM 0 HE ARG B 72 -12.725 -8.270 -4.666 1.00 0.00 H new ATOM 0 HH11 ARG B 72 -9.385 -9.202 -5.347 1.00 0.00 H new ATOM 0 HH12 ARG B 72 -9.824 -10.190 -6.744 1.00 0.00 H new ATOM 0 HH21 ARG B 72 -13.277 -9.551 -6.454 1.00 0.00 H new ATOM 0 HH22 ARG B 72 -12.016 -10.386 -7.367 1.00 0.00 H new