USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 709 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: A 44 SER OG : rot 126:sc= 1.61 USER MOD Set 1.2: A 90 LYS NZ :NH3+ 141:sc= 1.27 (180deg=-0.325) USER MOD Single : A 11 THR OG1 : rot -2:sc= 0.744 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 20 LYS NZ :NH3+ 168:sc= 1.25 (180deg=1.15) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.672 X(o=-0.67,f=-1) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -158:sc= 1.24 (180deg=1.13) USER MOD Single : A 49 GLN : amide:sc= 0.862 K(o=0.86,f=-0.3) USER MOD Single : A 55 GLN : amide:sc= 0.262 K(o=0.26,f=-4.3!) USER MOD Single : A 56 ASN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc= -1.61! C(o=-2.2!,f=-1.6!) USER MOD Single : A 67 GLN : amide:sc= -1.1 X(o=-1.1,f=-0.84) USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.000942 USER MOD Single : A 77 HIS : no HE2:sc= -3 K(o=-3,f=-6.7!) USER MOD Single : A 84 THR OG1 : rot 38:sc= 0.946 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -156:sc= 1.19 (180deg=0.682) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -42:sc= 0.803 USER MOD Single : A 98 TYR OH : rot 153:sc= -0.533 USER MOD ----------------------------------------------------------------- ATOM 144 N THR A 11 12.099 -7.052 1.838 1.00 0.00 N ATOM 145 CA THR A 11 11.799 -8.413 1.424 1.00 0.00 C ATOM 146 C THR A 11 10.664 -8.961 2.275 1.00 0.00 C ATOM 147 O THR A 11 10.131 -8.277 3.123 1.00 0.00 O ATOM 148 CB THR A 11 13.076 -9.279 1.520 1.00 0.00 C ATOM 149 OG1 THR A 11 14.083 -8.650 2.294 1.00 0.00 O ATOM 150 CG2 THR A 11 13.622 -9.515 0.111 1.00 0.00 C ATOM 0 HA THR A 11 11.471 -8.431 0.385 1.00 0.00 H new ATOM 0 HB THR A 11 12.809 -10.219 2.004 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.767 -7.771 2.590 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.523 -10.125 0.168 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.872 -10.031 -0.488 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.861 -8.557 -0.352 1.00 0.00 H new ATOM 158 N ALA A 12 10.232 -10.192 2.050 1.00 0.00 N ATOM 159 CA ALA A 12 9.023 -10.740 2.665 1.00 0.00 C ATOM 160 C ALA A 12 9.100 -10.828 4.182 1.00 0.00 C ATOM 161 O ALA A 12 8.176 -10.369 4.855 1.00 0.00 O ATOM 162 CB ALA A 12 8.754 -12.102 2.044 1.00 0.00 C ATOM 0 H ALA A 12 10.711 -10.847 1.432 1.00 0.00 H new ATOM 0 HA ALA A 12 8.197 -10.057 2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.856 -12.533 2.487 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.611 -11.990 0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.602 -12.761 2.231 1.00 0.00 H new ATOM 168 N ALA A 13 10.192 -11.368 4.719 1.00 0.00 N ATOM 169 CA ALA A 13 10.356 -11.389 6.172 1.00 0.00 C ATOM 170 C ALA A 13 10.582 -9.963 6.683 1.00 0.00 C ATOM 171 O ALA A 13 10.199 -9.615 7.802 1.00 0.00 O ATOM 172 CB ALA A 13 11.520 -12.304 6.562 1.00 0.00 C ATOM 0 H ALA A 13 10.957 -11.786 4.189 1.00 0.00 H new ATOM 0 HA ALA A 13 9.451 -11.785 6.633 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.631 -12.310 7.646 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.320 -13.317 6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 13 12.440 -11.938 6.106 1.00 0.00 H new ATOM 178 N GLU A 14 11.188 -9.123 5.843 1.00 0.00 N ATOM 179 CA GLU A 14 11.537 -7.767 6.192 1.00 0.00 C ATOM 180 C GLU A 14 10.271 -6.924 6.254 1.00 0.00 C ATOM 181 O GLU A 14 10.167 -6.068 7.115 1.00 0.00 O ATOM 182 CB GLU A 14 12.487 -7.237 5.105 1.00 0.00 C ATOM 183 CG GLU A 14 13.514 -6.205 5.571 1.00 0.00 C ATOM 184 CD GLU A 14 14.799 -6.874 6.052 1.00 0.00 C ATOM 185 OE1 GLU A 14 15.717 -7.090 5.229 1.00 0.00 O ATOM 186 OE2 GLU A 14 14.907 -7.204 7.257 1.00 0.00 O ATOM 0 H GLU A 14 11.449 -9.380 4.891 1.00 0.00 H new ATOM 0 HA GLU A 14 12.026 -7.723 7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.020 -8.082 4.670 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.888 -6.794 4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.742 -5.522 4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.090 -5.606 6.377 1.00 0.00 H new ATOM 193 N ILE A 15 9.305 -7.177 5.375 1.00 0.00 N ATOM 194 CA ILE A 15 8.037 -6.504 5.260 1.00 0.00 C ATOM 195 C ILE A 15 7.176 -6.941 6.410 1.00 0.00 C ATOM 196 O ILE A 15 6.624 -6.093 7.094 1.00 0.00 O ATOM 197 CB ILE A 15 7.390 -6.811 3.885 1.00 0.00 C ATOM 198 CG1 ILE A 15 7.972 -5.797 2.897 1.00 0.00 C ATOM 199 CG2 ILE A 15 5.852 -6.766 3.878 1.00 0.00 C ATOM 200 CD1 ILE A 15 7.551 -6.045 1.439 1.00 0.00 C ATOM 0 H ILE A 15 9.407 -7.915 4.678 1.00 0.00 H new ATOM 0 HA ILE A 15 8.162 -5.422 5.307 1.00 0.00 H new ATOM 0 HB ILE A 15 7.624 -7.840 3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.659 -4.795 3.191 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.060 -5.823 2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.486 -6.993 2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.463 -7.502 4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.516 -5.771 4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.001 -5.288 0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.888 -7.033 1.126 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.465 -5.990 1.359 1.00 0.00 H new ATOM 212 N GLU A 16 7.025 -8.244 6.613 1.00 0.00 N ATOM 213 CA GLU A 16 6.127 -8.707 7.658 1.00 0.00 C ATOM 214 C GLU A 16 6.592 -8.191 9.006 1.00 0.00 C ATOM 215 O GLU A 16 5.770 -7.640 9.729 1.00 0.00 O ATOM 216 CB GLU A 16 6.084 -10.219 7.651 1.00 0.00 C ATOM 217 CG GLU A 16 4.711 -10.858 7.928 1.00 0.00 C ATOM 218 CD GLU A 16 4.277 -10.891 9.398 1.00 0.00 C ATOM 219 OE1 GLU A 16 5.070 -11.356 10.248 1.00 0.00 O ATOM 220 OE2 GLU A 16 3.094 -10.583 9.680 1.00 0.00 O ATOM 0 H GLU A 16 7.498 -8.978 6.085 1.00 0.00 H new ATOM 0 HA GLU A 16 5.123 -8.325 7.473 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.435 -10.568 6.680 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.790 -10.586 8.396 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.957 -10.316 7.358 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.723 -11.880 7.549 1.00 0.00 H new ATOM 227 N GLN A 17 7.888 -8.304 9.332 1.00 0.00 N ATOM 228 CA GLN A 17 8.331 -7.854 10.644 1.00 0.00 C ATOM 229 C GLN A 17 8.503 -6.336 10.640 1.00 0.00 C ATOM 230 O GLN A 17 8.352 -5.683 11.671 1.00 0.00 O ATOM 231 CB GLN A 17 9.647 -8.536 11.005 1.00 0.00 C ATOM 232 CG GLN A 17 9.604 -10.072 10.956 1.00 0.00 C ATOM 233 CD GLN A 17 8.692 -10.726 11.985 1.00 0.00 C ATOM 234 OE1 GLN A 17 8.358 -10.160 13.026 1.00 0.00 O ATOM 235 NE2 GLN A 17 8.308 -11.958 11.717 1.00 0.00 N ATOM 0 H GLN A 17 8.615 -8.687 8.729 1.00 0.00 H new ATOM 0 HA GLN A 17 7.581 -8.119 11.389 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.422 -8.185 10.324 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.939 -8.225 12.008 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.282 -10.379 9.961 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.616 -10.453 11.096 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.598 -12.405 10.847 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.721 -12.465 12.379 1.00 0.00 H new ATOM 244 N GLY A 18 8.787 -5.772 9.469 1.00 0.00 N ATOM 245 CA GLY A 18 8.986 -4.361 9.231 1.00 0.00 C ATOM 246 C GLY A 18 7.702 -3.614 9.467 1.00 0.00 C ATOM 247 O GLY A 18 7.732 -2.496 9.985 1.00 0.00 O ATOM 0 H GLY A 18 8.888 -6.326 8.619 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.765 -3.979 9.890 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.327 -4.201 8.208 1.00 0.00 H new ATOM 251 N PHE A 19 6.577 -4.220 9.082 1.00 0.00 N ATOM 252 CA PHE A 19 5.337 -3.474 8.951 1.00 0.00 C ATOM 253 C PHE A 19 4.238 -4.082 9.810 1.00 0.00 C ATOM 254 O PHE A 19 3.085 -3.657 9.749 1.00 0.00 O ATOM 255 CB PHE A 19 5.051 -3.314 7.455 1.00 0.00 C ATOM 256 CG PHE A 19 6.177 -2.578 6.724 1.00 0.00 C ATOM 257 CD1 PHE A 19 6.656 -1.338 7.195 1.00 0.00 C ATOM 258 CD2 PHE A 19 6.819 -3.166 5.621 1.00 0.00 C ATOM 259 CE1 PHE A 19 7.700 -0.666 6.540 1.00 0.00 C ATOM 260 CE2 PHE A 19 7.908 -2.524 5.000 1.00 0.00 C ATOM 261 CZ PHE A 19 8.328 -1.260 5.437 1.00 0.00 C ATOM 0 H PHE A 19 6.505 -5.213 8.859 1.00 0.00 H new ATOM 0 HA PHE A 19 5.407 -2.463 9.354 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.912 -4.298 7.007 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.117 -2.768 7.322 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.212 -0.898 8.075 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.474 -4.118 5.246 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.018 0.306 6.885 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.422 -3.008 4.183 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.130 -0.747 4.927 1.00 0.00 H new ATOM 271 N LYS A 20 4.625 -4.996 10.709 1.00 0.00 N ATOM 272 CA LYS A 20 3.751 -5.682 11.651 1.00 0.00 C ATOM 273 C LYS A 20 2.967 -4.777 12.590 1.00 0.00 C ATOM 274 O LYS A 20 2.081 -5.262 13.292 1.00 0.00 O ATOM 275 CB LYS A 20 4.570 -6.703 12.465 1.00 0.00 C ATOM 276 CG LYS A 20 3.760 -7.993 12.625 1.00 0.00 C ATOM 277 CD LYS A 20 4.671 -9.171 12.943 1.00 0.00 C ATOM 278 CE LYS A 20 3.795 -10.416 13.065 1.00 0.00 C ATOM 279 NZ LYS A 20 4.595 -11.640 12.934 1.00 0.00 N ATOM 0 H LYS A 20 5.599 -5.285 10.798 1.00 0.00 H new ATOM 0 HA LYS A 20 2.996 -6.176 11.040 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.514 -6.913 11.961 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.816 -6.291 13.444 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.026 -7.870 13.422 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.205 -8.194 11.709 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.415 -9.302 12.157 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.215 -8.994 13.871 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.285 -10.413 14.028 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.023 -10.398 12.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.023 -12.461 13.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.895 -11.754 11.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.434 -11.573 13.545 1.00 0.00 H new ATOM 293 N ASP A 21 3.265 -3.490 12.609 1.00 0.00 N ATOM 294 CA ASP A 21 2.643 -2.497 13.472 1.00 0.00 C ATOM 295 C ASP A 21 1.262 -2.073 12.948 1.00 0.00 C ATOM 296 O ASP A 21 0.479 -1.493 13.700 1.00 0.00 O ATOM 297 CB ASP A 21 3.612 -1.317 13.600 1.00 0.00 C ATOM 298 CG ASP A 21 2.969 -0.037 14.126 1.00 0.00 C ATOM 299 OD1 ASP A 21 2.494 -0.013 15.285 1.00 0.00 O ATOM 300 OD2 ASP A 21 2.999 0.983 13.398 1.00 0.00 O ATOM 0 H ASP A 21 3.977 -3.090 11.998 1.00 0.00 H new ATOM 0 HA ASP A 21 2.456 -2.919 14.459 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.428 -1.601 14.265 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.053 -1.115 12.624 1.00 0.00 H new ATOM 305 N VAL A 22 0.892 -2.410 11.708 1.00 0.00 N ATOM 306 CA VAL A 22 -0.474 -2.301 11.205 1.00 0.00 C ATOM 307 C VAL A 22 -0.941 -3.688 10.726 1.00 0.00 C ATOM 308 O VAL A 22 -0.119 -4.606 10.639 1.00 0.00 O ATOM 309 CB VAL A 22 -0.524 -1.243 10.088 1.00 0.00 C ATOM 310 CG1 VAL A 22 -1.383 -0.030 10.466 1.00 0.00 C ATOM 311 CG2 VAL A 22 0.838 -0.700 9.668 1.00 0.00 C ATOM 0 H VAL A 22 1.548 -2.772 11.016 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.155 -1.974 11.991 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.961 -1.793 9.254 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.384 0.685 9.644 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.404 -0.355 10.666 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.972 0.443 11.358 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.707 0.039 8.877 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.323 -0.232 10.525 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.458 -1.518 9.301 1.00 0.00 H new ATOM 321 N PRO A 23 -2.238 -3.895 10.435 1.00 0.00 N ATOM 322 CA PRO A 23 -2.736 -5.207 10.064 1.00 0.00 C ATOM 323 C PRO A 23 -2.352 -5.548 8.624 1.00 0.00 C ATOM 324 O PRO A 23 -1.836 -4.728 7.850 1.00 0.00 O ATOM 325 CB PRO A 23 -4.252 -5.135 10.252 1.00 0.00 C ATOM 326 CG PRO A 23 -4.541 -3.694 9.861 1.00 0.00 C ATOM 327 CD PRO A 23 -3.333 -2.934 10.410 1.00 0.00 C ATOM 0 HA PRO A 23 -2.304 -5.998 10.677 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.778 -5.846 9.615 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.548 -5.348 11.279 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.631 -3.580 8.781 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.474 -3.337 10.298 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.089 -2.079 9.779 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.536 -2.546 11.408 1.00 0.00 H new ATOM 335 N SER A 24 -2.676 -6.775 8.251 1.00 0.00 N ATOM 336 CA SER A 24 -2.325 -7.396 6.987 1.00 0.00 C ATOM 337 C SER A 24 -3.602 -7.943 6.326 1.00 0.00 C ATOM 338 O SER A 24 -4.554 -8.284 7.040 1.00 0.00 O ATOM 339 CB SER A 24 -1.249 -8.464 7.260 1.00 0.00 C ATOM 340 OG SER A 24 -1.427 -9.153 8.488 1.00 0.00 O ATOM 0 H SER A 24 -3.218 -7.395 8.853 1.00 0.00 H new ATOM 0 HA SER A 24 -1.898 -6.685 6.279 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.252 -9.187 6.444 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.269 -7.988 7.260 1.00 0.00 H new ATOM 0 HG SER A 24 -0.713 -9.816 8.598 1.00 0.00 H new ATOM 346 N PHE A 25 -3.678 -8.007 4.989 1.00 0.00 N ATOM 347 CA PHE A 25 -4.847 -8.500 4.283 1.00 0.00 C ATOM 348 C PHE A 25 -4.392 -9.440 3.182 1.00 0.00 C ATOM 349 O PHE A 25 -3.253 -9.341 2.720 1.00 0.00 O ATOM 350 CB PHE A 25 -5.580 -7.291 3.710 1.00 0.00 C ATOM 351 CG PHE A 25 -6.592 -7.627 2.638 1.00 0.00 C ATOM 352 CD1 PHE A 25 -7.850 -8.147 2.990 1.00 0.00 C ATOM 353 CD2 PHE A 25 -6.230 -7.505 1.282 1.00 0.00 C ATOM 354 CE1 PHE A 25 -8.735 -8.567 1.986 1.00 0.00 C ATOM 355 CE2 PHE A 25 -7.115 -7.923 0.279 1.00 0.00 C ATOM 356 CZ PHE A 25 -8.356 -8.473 0.636 1.00 0.00 C ATOM 0 H PHE A 25 -2.920 -7.714 4.372 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.517 -9.050 4.943 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.088 -6.770 4.522 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.847 -6.599 3.297 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.134 -8.223 4.029 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.270 -7.089 1.015 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.705 -8.962 2.250 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.844 -7.823 -0.762 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.026 -8.827 -0.134 1.00 0.00 H new ATOM 366 N VAL A 26 -5.294 -10.298 2.712 1.00 0.00 N ATOM 367 CA VAL A 26 -5.042 -11.253 1.661 1.00 0.00 C ATOM 368 C VAL A 26 -6.255 -11.291 0.736 1.00 0.00 C ATOM 369 O VAL A 26 -7.386 -11.402 1.215 1.00 0.00 O ATOM 370 CB VAL A 26 -4.711 -12.627 2.275 1.00 0.00 C ATOM 371 CG1 VAL A 26 -4.534 -13.657 1.166 1.00 0.00 C ATOM 372 CG2 VAL A 26 -3.389 -12.576 3.048 1.00 0.00 C ATOM 0 H VAL A 26 -6.248 -10.341 3.070 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.178 -10.962 1.064 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.531 -12.894 2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.300 -14.627 1.604 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.456 -13.732 0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.719 -13.349 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.177 -13.558 3.472 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.583 -12.291 2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.465 -11.843 3.851 1.00 0.00 H new ATOM 382 N HIS A 27 -6.028 -11.223 -0.581 1.00 0.00 N ATOM 383 CA HIS A 27 -7.027 -11.583 -1.584 1.00 0.00 C ATOM 384 C HIS A 27 -6.590 -12.831 -2.351 1.00 0.00 C ATOM 385 O HIS A 27 -5.582 -13.436 -2.029 1.00 0.00 O ATOM 386 CB HIS A 27 -7.377 -10.391 -2.468 1.00 0.00 C ATOM 387 CG HIS A 27 -6.252 -9.627 -3.099 1.00 0.00 C ATOM 388 ND1 HIS A 27 -6.405 -8.379 -3.635 1.00 0.00 N ATOM 389 CD2 HIS A 27 -4.949 -10.005 -3.273 1.00 0.00 C ATOM 390 CE1 HIS A 27 -5.214 -8.007 -4.122 1.00 0.00 C ATOM 391 NE2 HIS A 27 -4.287 -8.956 -3.911 1.00 0.00 N ATOM 0 H HIS A 27 -5.141 -10.915 -0.979 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.959 -11.850 -1.087 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.028 -10.747 -3.267 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.961 -9.692 -1.869 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.512 -10.945 -2.971 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.024 -7.067 -4.619 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.300 -8.917 -4.165 1.00 0.00 H new ATOM 399 N GLU A 28 -7.320 -13.242 -3.377 1.00 0.00 N ATOM 400 CA GLU A 28 -7.205 -14.587 -3.960 1.00 0.00 C ATOM 401 C GLU A 28 -6.143 -14.735 -5.068 1.00 0.00 C ATOM 402 O GLU A 28 -6.036 -15.775 -5.722 1.00 0.00 O ATOM 403 CB GLU A 28 -8.608 -15.040 -4.393 1.00 0.00 C ATOM 404 CG GLU A 28 -8.691 -16.562 -4.593 1.00 0.00 C ATOM 405 CD GLU A 28 -9.980 -17.143 -4.023 1.00 0.00 C ATOM 406 OE1 GLU A 28 -10.117 -17.208 -2.776 1.00 0.00 O ATOM 407 OE2 GLU A 28 -10.850 -17.565 -4.819 1.00 0.00 O ATOM 0 H GLU A 28 -8.015 -12.655 -3.837 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.819 -15.255 -3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.335 -14.734 -3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.880 -14.538 -5.322 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.629 -16.792 -5.657 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.836 -17.038 -4.114 1.00 0.00 H new ATOM 414 N GLY A 29 -5.318 -13.713 -5.271 1.00 0.00 N ATOM 415 CA GLY A 29 -4.498 -13.568 -6.472 1.00 0.00 C ATOM 416 C GLY A 29 -5.357 -13.163 -7.673 1.00 0.00 C ATOM 417 O GLY A 29 -6.576 -13.021 -7.548 1.00 0.00 O ATOM 0 H GLY A 29 -5.198 -12.954 -4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.726 -12.817 -6.302 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.988 -14.507 -6.685 1.00 0.00 H new ATOM 421 N GLY A 30 -4.714 -12.924 -8.820 1.00 0.00 N ATOM 422 CA GLY A 30 -5.309 -12.225 -9.948 1.00 0.00 C ATOM 423 C GLY A 30 -5.273 -10.728 -9.663 1.00 0.00 C ATOM 424 O GLY A 30 -5.501 -10.316 -8.527 1.00 0.00 O ATOM 0 H GLY A 30 -3.752 -13.218 -8.987 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.762 -12.449 -10.864 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.336 -12.557 -10.100 1.00 0.00 H new ATOM 428 N ASP A 31 -4.959 -9.911 -10.668 1.00 0.00 N ATOM 429 CA ASP A 31 -4.703 -8.479 -10.476 1.00 0.00 C ATOM 430 C ASP A 31 -5.915 -7.708 -9.965 1.00 0.00 C ATOM 431 O ASP A 31 -7.060 -8.034 -10.300 1.00 0.00 O ATOM 432 CB ASP A 31 -4.188 -7.806 -11.739 1.00 0.00 C ATOM 433 CG ASP A 31 -5.281 -7.660 -12.799 1.00 0.00 C ATOM 434 OD1 ASP A 31 -5.626 -8.661 -13.464 1.00 0.00 O ATOM 435 OD2 ASP A 31 -5.857 -6.558 -12.945 1.00 0.00 O ATOM 0 H ASP A 31 -4.874 -10.219 -11.637 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.930 -8.445 -9.709 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.792 -6.822 -11.489 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.362 -8.388 -12.148 1.00 0.00 H new ATOM 440 N VAL A 32 -5.662 -6.663 -9.172 1.00 0.00 N ATOM 441 CA VAL A 32 -6.689 -5.989 -8.384 1.00 0.00 C ATOM 442 C VAL A 32 -6.199 -4.580 -8.151 1.00 0.00 C ATOM 443 O VAL A 32 -5.059 -4.429 -7.736 1.00 0.00 O ATOM 444 CB VAL A 32 -6.892 -6.695 -7.039 1.00 0.00 C ATOM 445 CG1 VAL A 32 -7.639 -5.879 -5.966 1.00 0.00 C ATOM 446 CG2 VAL A 32 -7.639 -8.026 -7.149 1.00 0.00 C ATOM 0 H VAL A 32 -4.731 -6.261 -9.060 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.644 -6.000 -8.909 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.858 -6.843 -6.727 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.728 -6.471 -5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.084 -4.965 -5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.634 -5.623 -6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.745 -8.467 -6.158 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.627 -7.855 -7.577 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.078 -8.706 -7.790 1.00 0.00 H new ATOM 456 N PRO A 33 -7.029 -3.559 -8.366 1.00 0.00 N ATOM 457 CA PRO A 33 -6.598 -2.187 -8.306 1.00 0.00 C ATOM 458 C PRO A 33 -6.253 -1.788 -6.884 1.00 0.00 C ATOM 459 O PRO A 33 -6.865 -2.254 -5.916 1.00 0.00 O ATOM 460 CB PRO A 33 -7.743 -1.395 -8.936 1.00 0.00 C ATOM 461 CG PRO A 33 -8.979 -2.233 -8.628 1.00 0.00 C ATOM 462 CD PRO A 33 -8.439 -3.663 -8.662 1.00 0.00 C ATOM 0 HA PRO A 33 -5.674 -1.994 -8.850 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.821 -0.396 -8.508 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.601 -1.272 -10.010 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.404 -1.984 -7.655 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.765 -2.080 -9.367 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.947 -4.290 -7.929 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.601 -4.119 -9.639 1.00 0.00 H new ATOM 470 N LEU A 34 -5.316 -0.843 -6.763 1.00 0.00 N ATOM 471 CA LEU A 34 -4.953 -0.279 -5.479 1.00 0.00 C ATOM 472 C LEU A 34 -6.191 0.178 -4.666 1.00 0.00 C ATOM 473 O LEU A 34 -6.258 0.002 -3.443 1.00 0.00 O ATOM 474 CB LEU A 34 -3.763 0.685 -5.569 1.00 0.00 C ATOM 475 CG LEU A 34 -3.572 1.744 -6.669 1.00 0.00 C ATOM 476 CD1 LEU A 34 -4.789 2.104 -7.531 1.00 0.00 C ATOM 477 CD2 LEU A 34 -2.807 2.968 -6.168 1.00 0.00 C ATOM 0 H LEU A 34 -4.797 -0.456 -7.551 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.546 -1.073 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.743 1.227 -4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.871 0.059 -5.596 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.946 1.221 -7.392 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.506 2.861 -8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.144 1.213 -8.050 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.583 2.493 -6.894 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.698 3.686 -6.980 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.356 3.429 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.821 2.663 -5.819 1.00 0.00 H new ATOM 489 N VAL A 35 -7.220 0.674 -5.363 1.00 0.00 N ATOM 490 CA VAL A 35 -8.490 1.151 -4.819 1.00 0.00 C ATOM 491 C VAL A 35 -9.456 0.034 -4.409 1.00 0.00 C ATOM 492 O VAL A 35 -10.351 0.308 -3.615 1.00 0.00 O ATOM 493 CB VAL A 35 -9.082 2.219 -5.776 1.00 0.00 C ATOM 494 CG1 VAL A 35 -9.162 1.773 -7.244 1.00 0.00 C ATOM 495 CG2 VAL A 35 -10.453 2.751 -5.343 1.00 0.00 C ATOM 0 H VAL A 35 -7.183 0.756 -6.379 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.300 1.637 -3.862 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.357 3.030 -5.704 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.587 2.577 -7.846 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.162 1.537 -7.608 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.794 0.889 -7.322 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.799 3.493 -6.063 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.166 1.927 -5.299 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.370 3.212 -4.359 1.00 0.00 H new ATOM 505 N GLU A 36 -9.251 -1.216 -4.821 1.00 0.00 N ATOM 506 CA GLU A 36 -9.975 -2.344 -4.247 1.00 0.00 C ATOM 507 C GLU A 36 -9.159 -2.967 -3.123 1.00 0.00 C ATOM 508 O GLU A 36 -9.734 -3.285 -2.087 1.00 0.00 O ATOM 509 CB GLU A 36 -10.307 -3.397 -5.310 1.00 0.00 C ATOM 510 CG GLU A 36 -11.570 -3.035 -6.103 1.00 0.00 C ATOM 511 CD GLU A 36 -12.832 -3.227 -5.253 1.00 0.00 C ATOM 512 OE1 GLU A 36 -13.293 -4.380 -5.054 1.00 0.00 O ATOM 513 OE2 GLU A 36 -13.358 -2.226 -4.714 1.00 0.00 O ATOM 0 H GLU A 36 -8.587 -1.471 -5.552 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.917 -1.972 -3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.465 -3.498 -5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.446 -4.366 -4.830 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.508 -2.000 -6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.632 -3.656 -6.997 1.00 0.00 H new ATOM 520 N LEU A 37 -7.833 -3.106 -3.244 1.00 0.00 N ATOM 521 CA LEU A 37 -7.066 -3.839 -2.252 1.00 0.00 C ATOM 522 C LEU A 37 -6.934 -2.997 -1.017 1.00 0.00 C ATOM 523 O LEU A 37 -6.798 -3.588 0.042 1.00 0.00 O ATOM 524 CB LEU A 37 -5.703 -4.326 -2.771 1.00 0.00 C ATOM 525 CG LEU A 37 -4.709 -3.205 -3.119 1.00 0.00 C ATOM 526 CD1 LEU A 37 -3.814 -2.725 -1.968 1.00 0.00 C ATOM 527 CD2 LEU A 37 -3.794 -3.681 -4.239 1.00 0.00 C ATOM 0 H LEU A 37 -7.282 -2.723 -4.012 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.610 -4.752 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.252 -4.971 -2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.865 -4.938 -3.659 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.335 -2.357 -3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.154 -1.935 -2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.436 -2.340 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.216 -3.559 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.086 -2.891 -4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.248 -4.566 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.391 -3.927 -5.117 1.00 0.00 H new ATOM 539 N LEU A 38 -7.024 -1.657 -1.078 1.00 0.00 N ATOM 540 CA LEU A 38 -7.050 -0.926 0.155 1.00 0.00 C ATOM 541 C LEU A 38 -8.401 -1.110 0.837 1.00 0.00 C ATOM 542 O LEU A 38 -8.475 -1.012 2.049 1.00 0.00 O ATOM 543 CB LEU A 38 -6.675 0.560 0.010 1.00 0.00 C ATOM 544 CG LEU A 38 -7.879 1.524 0.088 1.00 0.00 C ATOM 545 CD1 LEU A 38 -7.430 2.937 0.365 1.00 0.00 C ATOM 546 CD2 LEU A 38 -8.717 1.466 -1.181 1.00 0.00 C ATOM 0 H LEU A 38 -7.076 -1.101 -1.931 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.269 -1.345 0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.962 0.822 0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.169 0.705 -0.944 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.504 1.198 0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.300 3.592 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.897 2.970 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.768 3.272 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.557 2.156 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.102 1.748 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.093 0.453 -1.323 1.00 0.00 H new ATOM 558 N VAL A 39 -9.476 -1.232 0.068 1.00 0.00 N ATOM 559 CA VAL A 39 -10.865 -1.193 0.517 1.00 0.00 C ATOM 560 C VAL A 39 -11.147 -2.524 1.192 1.00 0.00 C ATOM 561 O VAL A 39 -11.601 -2.563 2.333 1.00 0.00 O ATOM 562 CB VAL A 39 -11.747 -0.870 -0.718 1.00 0.00 C ATOM 563 CG1 VAL A 39 -12.711 -1.943 -1.252 1.00 0.00 C ATOM 564 CG2 VAL A 39 -12.576 0.400 -0.535 1.00 0.00 C ATOM 0 H VAL A 39 -9.400 -1.368 -0.940 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.085 -0.418 1.252 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.958 -0.772 -1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.249 -1.552 -2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.145 -2.827 -1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -13.424 -2.212 -0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.173 0.577 -1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.236 0.283 0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.911 1.248 -0.369 1.00 0.00 H new ATOM 574 N SER A 40 -10.776 -3.597 0.503 1.00 0.00 N ATOM 575 CA SER A 40 -10.760 -4.945 1.000 1.00 0.00 C ATOM 576 C SER A 40 -9.718 -5.081 2.112 1.00 0.00 C ATOM 577 O SER A 40 -10.026 -5.759 3.091 1.00 0.00 O ATOM 578 CB SER A 40 -10.541 -5.929 -0.156 1.00 0.00 C ATOM 579 OG SER A 40 -11.654 -6.798 -0.278 1.00 0.00 O ATOM 0 H SER A 40 -10.464 -3.534 -0.466 1.00 0.00 H new ATOM 0 HA SER A 40 -11.725 -5.192 1.443 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.395 -5.381 -1.087 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.635 -6.509 0.018 1.00 0.00 H new ATOM 0 HG SER A 40 -11.503 -7.420 -1.020 1.00 0.00 H new ATOM 585 N ALA A 41 -8.570 -4.371 2.071 1.00 0.00 N ATOM 586 CA ALA A 41 -7.673 -4.443 3.233 1.00 0.00 C ATOM 587 C ALA A 41 -8.172 -3.556 4.379 1.00 0.00 C ATOM 588 O ALA A 41 -7.743 -3.724 5.515 1.00 0.00 O ATOM 589 CB ALA A 41 -6.212 -4.155 2.862 1.00 0.00 C ATOM 0 H ALA A 41 -8.260 -3.780 1.299 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.693 -5.472 3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.590 -4.221 3.755 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.872 -4.886 2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.135 -3.154 2.439 1.00 0.00 H new ATOM 595 N GLY A 42 -9.115 -2.652 4.119 1.00 0.00 N ATOM 596 CA GLY A 42 -9.898 -1.971 5.136 1.00 0.00 C ATOM 597 C GLY A 42 -9.234 -0.673 5.535 1.00 0.00 C ATOM 598 O GLY A 42 -9.520 -0.117 6.591 1.00 0.00 O ATOM 0 H GLY A 42 -9.358 -2.369 3.170 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.901 -1.772 4.758 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.008 -2.614 6.010 1.00 0.00 H new ATOM 602 N ILE A 43 -8.382 -0.160 4.657 1.00 0.00 N ATOM 603 CA ILE A 43 -7.515 0.954 4.909 1.00 0.00 C ATOM 604 C ILE A 43 -8.393 2.213 4.793 1.00 0.00 C ATOM 605 O ILE A 43 -8.240 3.118 5.608 1.00 0.00 O ATOM 606 CB ILE A 43 -6.385 0.957 3.843 1.00 0.00 C ATOM 607 CG1 ILE A 43 -5.434 -0.266 3.640 1.00 0.00 C ATOM 608 CG2 ILE A 43 -5.529 2.215 4.138 1.00 0.00 C ATOM 609 CD1 ILE A 43 -5.341 -1.196 4.852 1.00 0.00 C ATOM 0 H ILE A 43 -8.282 -0.534 3.713 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.046 0.909 5.892 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.932 0.923 2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.778 -0.841 2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.436 0.100 3.400 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.712 2.276 3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.152 3.106 4.056 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.121 2.149 5.146 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.661 -2.018 4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.966 -0.639 5.710 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.329 -1.594 5.082 1.00 0.00 H new ATOM 621 N SER A 44 -9.320 2.273 3.825 1.00 0.00 N ATOM 622 CA SER A 44 -10.308 3.339 3.693 1.00 0.00 C ATOM 623 C SER A 44 -11.455 2.750 2.882 1.00 0.00 C ATOM 624 O SER A 44 -11.355 2.706 1.661 1.00 0.00 O ATOM 625 CB SER A 44 -9.701 4.566 3.009 1.00 0.00 C ATOM 626 OG SER A 44 -8.941 5.337 3.918 1.00 0.00 O ATOM 0 H SER A 44 -9.400 1.562 3.098 1.00 0.00 H new ATOM 0 HA SER A 44 -10.659 3.684 4.666 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.068 4.247 2.181 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.496 5.179 2.585 1.00 0.00 H new ATOM 0 HG SER A 44 -8.038 5.468 3.561 1.00 0.00 H new ATOM 632 N PRO A 45 -12.517 2.242 3.529 1.00 0.00 N ATOM 633 CA PRO A 45 -13.541 1.444 2.860 1.00 0.00 C ATOM 634 C PRO A 45 -14.538 2.279 2.047 1.00 0.00 C ATOM 635 O PRO A 45 -15.317 1.742 1.261 1.00 0.00 O ATOM 636 CB PRO A 45 -14.267 0.730 3.997 1.00 0.00 C ATOM 637 CG PRO A 45 -14.144 1.684 5.181 1.00 0.00 C ATOM 638 CD PRO A 45 -12.777 2.323 4.961 1.00 0.00 C ATOM 0 HA PRO A 45 -13.083 0.772 2.134 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.311 0.541 3.746 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.811 -0.236 4.215 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.941 2.427 5.186 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -14.195 1.156 6.133 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.772 3.359 5.300 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.007 1.799 5.527 1.00 0.00 H new ATOM 646 N SER A 46 -14.557 3.592 2.261 1.00 0.00 N ATOM 647 CA SER A 46 -15.541 4.468 1.652 1.00 0.00 C ATOM 648 C SER A 46 -15.026 4.745 0.251 1.00 0.00 C ATOM 649 O SER A 46 -14.002 5.406 0.140 1.00 0.00 O ATOM 650 CB SER A 46 -15.702 5.715 2.510 1.00 0.00 C ATOM 651 OG SER A 46 -16.616 6.623 1.929 1.00 0.00 O ATOM 0 H SER A 46 -13.889 4.074 2.862 1.00 0.00 H new ATOM 0 HA SER A 46 -16.538 4.033 1.586 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.049 5.433 3.504 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.734 6.200 2.636 1.00 0.00 H new ATOM 0 HG SER A 46 -16.701 7.413 2.502 1.00 0.00 H new ATOM 657 N LYS A 47 -15.647 4.221 -0.813 1.00 0.00 N ATOM 658 CA LYS A 47 -14.980 4.178 -2.122 1.00 0.00 C ATOM 659 C LYS A 47 -14.553 5.548 -2.700 1.00 0.00 C ATOM 660 O LYS A 47 -13.609 5.592 -3.485 1.00 0.00 O ATOM 661 CB LYS A 47 -15.723 3.278 -3.131 1.00 0.00 C ATOM 662 CG LYS A 47 -15.919 1.835 -2.601 1.00 0.00 C ATOM 663 CD LYS A 47 -15.911 0.748 -3.695 1.00 0.00 C ATOM 664 CE LYS A 47 -16.154 -0.642 -3.075 1.00 0.00 C ATOM 665 NZ LYS A 47 -15.884 -1.758 -4.013 1.00 0.00 N ATOM 0 H LYS A 47 -16.589 3.829 -0.797 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.022 3.697 -1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.696 3.715 -3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.164 3.246 -4.066 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.130 1.615 -1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.865 1.784 -2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -16.682 0.963 -4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.955 0.757 -4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.521 -0.755 -2.195 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.188 -0.705 -2.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.397 -2.607 -3.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.201 -1.494 -4.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.863 -1.958 -4.030 1.00 0.00 H new ATOM 679 N ARG A 48 -15.146 6.679 -2.282 1.00 0.00 N ATOM 680 CA ARG A 48 -14.595 8.016 -2.579 1.00 0.00 C ATOM 681 C ARG A 48 -13.248 8.204 -1.876 1.00 0.00 C ATOM 682 O ARG A 48 -12.249 8.541 -2.526 1.00 0.00 O ATOM 683 CB ARG A 48 -15.607 9.118 -2.203 1.00 0.00 C ATOM 684 CG ARG A 48 -15.056 10.558 -2.258 1.00 0.00 C ATOM 685 CD ARG A 48 -14.426 10.944 -3.609 1.00 0.00 C ATOM 686 NE ARG A 48 -13.974 12.350 -3.669 1.00 0.00 N ATOM 687 CZ ARG A 48 -12.841 12.846 -3.142 1.00 0.00 C ATOM 688 NH1 ARG A 48 -12.140 12.141 -2.265 1.00 0.00 N ATOM 689 NH2 ARG A 48 -12.400 14.045 -3.504 1.00 0.00 N ATOM 0 H ARG A 48 -16.008 6.696 -1.737 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.418 8.097 -3.651 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.464 9.047 -2.873 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.974 8.924 -1.195 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.866 11.253 -2.036 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.308 10.679 -1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.577 10.289 -3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.153 10.770 -4.403 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.581 13.008 -4.158 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.459 11.214 -1.985 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.282 12.526 -1.871 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.922 14.596 -4.186 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -11.540 14.415 -3.100 1.00 0.00 H new ATOM 703 N GLN A 49 -13.236 8.013 -0.550 1.00 0.00 N ATOM 704 CA GLN A 49 -12.016 8.111 0.231 1.00 0.00 C ATOM 705 C GLN A 49 -11.011 7.192 -0.387 1.00 0.00 C ATOM 706 O GLN A 49 -9.931 7.639 -0.694 1.00 0.00 O ATOM 707 CB GLN A 49 -12.219 7.686 1.693 1.00 0.00 C ATOM 708 CG GLN A 49 -11.039 8.098 2.595 1.00 0.00 C ATOM 709 CD GLN A 49 -10.755 9.598 2.542 1.00 0.00 C ATOM 710 OE1 GLN A 49 -11.668 10.402 2.679 1.00 0.00 O ATOM 711 NE2 GLN A 49 -9.519 9.996 2.299 1.00 0.00 N ATOM 0 H GLN A 49 -14.067 7.789 -0.002 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.690 9.151 0.230 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.137 8.133 2.074 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -12.348 6.605 1.739 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.255 7.809 3.624 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.146 7.552 2.291 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.774 9.308 2.188 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.310 10.991 2.222 1.00 0.00 H new ATOM 720 N ALA A 50 -11.405 5.947 -0.620 1.00 0.00 N ATOM 721 CA ALA A 50 -10.579 4.936 -1.221 1.00 0.00 C ATOM 722 C ALA A 50 -9.868 5.475 -2.452 1.00 0.00 C ATOM 723 O ALA A 50 -8.638 5.490 -2.491 1.00 0.00 O ATOM 724 CB ALA A 50 -11.431 3.714 -1.570 1.00 0.00 C ATOM 0 H ALA A 50 -12.340 5.613 -0.384 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.813 4.637 -0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.801 2.950 -2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.886 3.316 -0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.214 4.004 -2.271 1.00 0.00 H new ATOM 730 N ARG A 51 -10.623 5.923 -3.461 1.00 0.00 N ATOM 731 CA ARG A 51 -9.947 6.303 -4.693 1.00 0.00 C ATOM 732 C ARG A 51 -9.101 7.553 -4.514 1.00 0.00 C ATOM 733 O ARG A 51 -8.124 7.658 -5.247 1.00 0.00 O ATOM 734 CB ARG A 51 -10.855 6.358 -5.936 1.00 0.00 C ATOM 735 CG ARG A 51 -9.981 6.077 -7.184 1.00 0.00 C ATOM 736 CD ARG A 51 -10.738 5.804 -8.496 1.00 0.00 C ATOM 737 NE ARG A 51 -9.820 5.385 -9.586 1.00 0.00 N ATOM 738 CZ ARG A 51 -8.810 6.087 -10.125 1.00 0.00 C ATOM 739 NH1 ARG A 51 -8.649 7.364 -9.807 1.00 0.00 N ATOM 740 NH2 ARG A 51 -7.969 5.495 -10.964 1.00 0.00 N ATOM 0 H ARG A 51 -11.638 6.026 -3.451 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.263 5.482 -4.909 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.654 5.620 -5.857 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.331 7.335 -6.017 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.322 6.931 -7.340 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.345 5.218 -6.970 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.484 5.027 -8.330 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.276 6.702 -8.799 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.975 4.453 -9.971 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.292 7.812 -9.154 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.882 7.899 -10.216 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.091 4.510 -11.198 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.201 6.025 -11.375 1.00 0.00 H new ATOM 754 N GLU A 52 -9.385 8.453 -3.566 1.00 0.00 N ATOM 755 CA GLU A 52 -8.455 9.580 -3.383 1.00 0.00 C ATOM 756 C GLU A 52 -7.302 9.254 -2.435 1.00 0.00 C ATOM 757 O GLU A 52 -6.209 9.791 -2.611 1.00 0.00 O ATOM 758 CB GLU A 52 -9.224 10.824 -2.953 1.00 0.00 C ATOM 759 CG GLU A 52 -8.370 12.104 -2.956 1.00 0.00 C ATOM 760 CD GLU A 52 -9.284 13.289 -2.640 1.00 0.00 C ATOM 761 OE1 GLU A 52 -9.814 13.338 -1.509 1.00 0.00 O ATOM 762 OE2 GLU A 52 -9.667 14.029 -3.569 1.00 0.00 O ATOM 0 H GLU A 52 -10.196 8.434 -2.948 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.984 9.781 -4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.076 10.963 -3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.625 10.666 -1.952 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.573 12.031 -2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.893 12.240 -3.926 1.00 0.00 H new ATOM 769 N ASP A 53 -7.485 8.304 -1.517 1.00 0.00 N ATOM 770 CA ASP A 53 -6.439 7.679 -0.733 1.00 0.00 C ATOM 771 C ASP A 53 -5.471 7.038 -1.692 1.00 0.00 C ATOM 772 O ASP A 53 -4.297 6.943 -1.374 1.00 0.00 O ATOM 773 CB ASP A 53 -7.014 6.576 0.182 1.00 0.00 C ATOM 774 CG ASP A 53 -7.146 6.928 1.663 1.00 0.00 C ATOM 775 OD1 ASP A 53 -7.501 8.071 2.007 1.00 0.00 O ATOM 776 OD2 ASP A 53 -6.938 6.005 2.487 1.00 0.00 O ATOM 0 H ASP A 53 -8.411 7.938 -1.296 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.958 8.433 -0.110 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.999 6.299 -0.193 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.380 5.694 0.095 1.00 0.00 H new ATOM 781 N ILE A 54 -5.952 6.565 -2.836 1.00 0.00 N ATOM 782 CA ILE A 54 -5.139 6.069 -3.904 1.00 0.00 C ATOM 783 C ILE A 54 -4.555 7.234 -4.649 1.00 0.00 C ATOM 784 O ILE A 54 -3.344 7.289 -4.657 1.00 0.00 O ATOM 785 CB ILE A 54 -5.965 5.098 -4.777 1.00 0.00 C ATOM 786 CG1 ILE A 54 -5.670 3.688 -4.250 1.00 0.00 C ATOM 787 CG2 ILE A 54 -5.791 5.199 -6.306 1.00 0.00 C ATOM 788 CD1 ILE A 54 -6.449 3.389 -2.990 1.00 0.00 C ATOM 0 H ILE A 54 -6.951 6.521 -3.037 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.297 5.486 -3.532 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.013 5.379 -4.674 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.920 2.953 -5.016 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.603 3.590 -4.050 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.428 4.461 -6.794 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.072 6.198 -6.639 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.750 5.009 -6.567 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.214 2.381 -2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.179 4.108 -2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.517 3.462 -3.197 1.00 0.00 H new ATOM 800 N GLN A 55 -5.349 8.142 -5.228 1.00 0.00 N ATOM 801 CA GLN A 55 -4.841 9.170 -6.129 1.00 0.00 C ATOM 802 C GLN A 55 -3.887 10.132 -5.441 1.00 0.00 C ATOM 803 O GLN A 55 -3.251 10.939 -6.125 1.00 0.00 O ATOM 804 CB GLN A 55 -5.978 9.985 -6.750 1.00 0.00 C ATOM 805 CG GLN A 55 -5.688 10.401 -8.204 1.00 0.00 C ATOM 806 CD GLN A 55 -5.911 9.300 -9.242 1.00 0.00 C ATOM 807 OE1 GLN A 55 -6.847 9.370 -10.031 1.00 0.00 O ATOM 808 NE2 GLN A 55 -5.111 8.247 -9.285 1.00 0.00 N ATOM 0 H GLN A 55 -6.358 8.181 -5.083 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.299 8.631 -6.906 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.897 9.399 -6.721 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.150 10.878 -6.149 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.320 11.253 -8.457 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.654 10.740 -8.271 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.328 8.174 -8.635 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.277 7.508 -9.968 1.00 0.00 H new ATOM 817 N ASN A 56 -3.812 10.085 -4.111 1.00 0.00 N ATOM 818 CA ASN A 56 -2.876 10.918 -3.410 1.00 0.00 C ATOM 819 C ASN A 56 -1.486 10.363 -3.390 1.00 0.00 C ATOM 820 O ASN A 56 -1.223 9.251 -2.960 1.00 0.00 O ATOM 821 CB ASN A 56 -3.300 11.215 -1.962 1.00 0.00 C ATOM 822 CG ASN A 56 -3.857 12.614 -1.863 1.00 0.00 C ATOM 823 OD1 ASN A 56 -5.115 12.784 -2.211 1.00 0.00 O flip ATOM 824 ND2 ASN A 56 -3.137 13.545 -1.519 1.00 0.00 N flip ATOM 0 H ASN A 56 -4.385 9.484 -3.518 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.877 11.846 -3.982 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.050 10.493 -1.639 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.445 11.107 -1.295 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.167 13.370 -1.257 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.508 14.495 -1.495 1.00 0.00 H new ATOM 831 N GLY A 57 -0.563 11.278 -3.599 1.00 0.00 N ATOM 832 CA GLY A 57 0.851 11.127 -3.323 1.00 0.00 C ATOM 833 C GLY A 57 1.194 10.763 -1.869 1.00 0.00 C ATOM 834 O GLY A 57 2.378 10.682 -1.554 1.00 0.00 O ATOM 0 H GLY A 57 -0.790 12.194 -3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.254 10.356 -3.979 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.357 12.058 -3.578 1.00 0.00 H new ATOM 838 N ALA A 58 0.190 10.558 -1.003 1.00 0.00 N ATOM 839 CA ALA A 58 0.268 10.069 0.364 1.00 0.00 C ATOM 840 C ALA A 58 0.427 8.553 0.432 1.00 0.00 C ATOM 841 O ALA A 58 0.751 8.048 1.505 1.00 0.00 O ATOM 842 CB ALA A 58 -1.032 10.414 1.112 1.00 0.00 C ATOM 0 H ALA A 58 -0.775 10.749 -1.273 1.00 0.00 H new ATOM 0 HA ALA A 58 1.140 10.544 0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.971 10.046 2.136 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.170 11.495 1.122 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.877 9.945 0.608 1.00 0.00 H new ATOM 848 N ILE A 59 0.110 7.803 -0.628 1.00 0.00 N ATOM 849 CA ILE A 59 0.272 6.356 -0.622 1.00 0.00 C ATOM 850 C ILE A 59 1.602 6.007 -1.269 1.00 0.00 C ATOM 851 O ILE A 59 1.806 5.996 -2.488 1.00 0.00 O ATOM 852 CB ILE A 59 -1.034 5.749 -1.068 1.00 0.00 C ATOM 853 CG1 ILE A 59 -1.170 4.248 -1.049 1.00 0.00 C ATOM 854 CG2 ILE A 59 -1.602 6.347 -2.351 1.00 0.00 C ATOM 855 CD1 ILE A 59 -0.337 3.506 -2.042 1.00 0.00 C ATOM 0 H ILE A 59 -0.261 8.180 -1.500 1.00 0.00 H new ATOM 0 HA ILE A 59 0.408 5.874 0.346 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.664 6.063 -0.236 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.915 3.892 -0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.216 3.995 -1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.541 5.852 -2.598 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.780 7.413 -2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.891 6.204 -3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.515 2.436 -1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.605 3.822 -3.050 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.717 3.718 -1.863 1.00 0.00 H new ATOM 867 N TYR A 60 2.540 5.801 -0.355 1.00 0.00 N ATOM 868 CA TYR A 60 3.875 5.363 -0.602 1.00 0.00 C ATOM 869 C TYR A 60 3.809 3.844 -0.562 1.00 0.00 C ATOM 870 O TYR A 60 3.844 3.231 0.500 1.00 0.00 O ATOM 871 CB TYR A 60 4.838 6.025 0.400 1.00 0.00 C ATOM 872 CG TYR A 60 4.396 7.349 1.026 1.00 0.00 C ATOM 873 CD1 TYR A 60 4.299 8.549 0.295 1.00 0.00 C ATOM 874 CD2 TYR A 60 4.042 7.361 2.382 1.00 0.00 C ATOM 875 CE1 TYR A 60 3.854 9.726 0.934 1.00 0.00 C ATOM 876 CE2 TYR A 60 3.599 8.519 3.030 1.00 0.00 C ATOM 877 CZ TYR A 60 3.482 9.708 2.295 1.00 0.00 C ATOM 878 OH TYR A 60 3.014 10.816 2.926 1.00 0.00 O ATOM 0 H TYR A 60 2.360 5.950 0.638 1.00 0.00 H new ATOM 0 HA TYR A 60 4.278 5.661 -1.570 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.026 5.316 1.207 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.789 6.192 -0.106 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.564 8.568 -0.752 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.114 6.443 2.947 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.798 10.649 0.376 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.351 8.498 4.081 1.00 0.00 H new ATOM 0 HH TYR A 60 2.812 10.600 3.860 1.00 0.00 H new ATOM 888 N VAL A 61 3.632 3.200 -1.708 1.00 0.00 N ATOM 889 CA VAL A 61 3.538 1.752 -1.741 1.00 0.00 C ATOM 890 C VAL A 61 4.989 1.311 -1.631 1.00 0.00 C ATOM 891 O VAL A 61 5.853 1.910 -2.268 1.00 0.00 O ATOM 892 CB VAL A 61 2.866 1.295 -3.055 1.00 0.00 C ATOM 893 CG1 VAL A 61 3.810 1.354 -4.261 1.00 0.00 C ATOM 894 CG2 VAL A 61 2.324 -0.131 -2.932 1.00 0.00 C ATOM 0 H VAL A 61 3.552 3.655 -2.617 1.00 0.00 H new ATOM 0 HA VAL A 61 2.926 1.320 -0.949 1.00 0.00 H new ATOM 0 HB VAL A 61 2.049 1.996 -3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.281 1.021 -5.154 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.154 2.378 -4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.667 0.704 -4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.857 -0.425 -3.872 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.143 -0.813 -2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.585 -0.172 -2.131 1.00 0.00 H new ATOM 904 N ASN A 62 5.303 0.292 -0.824 1.00 0.00 N ATOM 905 CA ASN A 62 6.697 -0.161 -0.722 1.00 0.00 C ATOM 906 C ASN A 62 7.624 0.998 -0.280 1.00 0.00 C ATOM 907 O ASN A 62 8.827 0.987 -0.531 1.00 0.00 O ATOM 908 CB ASN A 62 7.048 -0.832 -2.061 1.00 0.00 C ATOM 909 CG ASN A 62 6.902 -2.326 -1.915 1.00 0.00 C ATOM 910 OD1 ASN A 62 5.673 -2.819 -1.860 1.00 0.00 O flip ATOM 911 ND2 ASN A 62 7.869 -3.054 -1.813 1.00 0.00 N flip ATOM 0 H ASN A 62 4.636 -0.222 -0.248 1.00 0.00 H new ATOM 0 HA ASN A 62 6.843 -0.904 0.062 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.391 -0.465 -2.850 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.068 -0.580 -2.352 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.810 -2.662 -1.857 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.740 -4.058 -1.683 1.00 0.00 H new ATOM 918 N GLY A 63 7.052 2.010 0.377 1.00 0.00 N ATOM 919 CA GLY A 63 7.718 3.209 0.869 1.00 0.00 C ATOM 920 C GLY A 63 7.861 4.318 -0.172 1.00 0.00 C ATOM 921 O GLY A 63 8.534 5.312 0.100 1.00 0.00 O ATOM 0 H GLY A 63 6.054 2.010 0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.161 3.596 1.722 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.709 2.937 1.232 1.00 0.00 H new ATOM 925 N GLU A 64 7.252 4.189 -1.353 1.00 0.00 N ATOM 926 CA GLU A 64 7.543 5.016 -2.511 1.00 0.00 C ATOM 927 C GLU A 64 6.230 5.457 -3.155 1.00 0.00 C ATOM 928 O GLU A 64 5.350 4.636 -3.410 1.00 0.00 O ATOM 929 CB GLU A 64 8.443 4.208 -3.438 1.00 0.00 C ATOM 930 CG GLU A 64 8.963 5.064 -4.589 1.00 0.00 C ATOM 931 CD GLU A 64 10.057 4.351 -5.383 1.00 0.00 C ATOM 932 OE1 GLU A 64 9.921 3.142 -5.670 1.00 0.00 O ATOM 933 OE2 GLU A 64 11.029 5.034 -5.784 1.00 0.00 O ATOM 0 H GLU A 64 6.529 3.491 -1.528 1.00 0.00 H new ATOM 0 HA GLU A 64 8.073 5.932 -2.248 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.283 3.805 -2.873 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.889 3.357 -3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.138 5.317 -5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.354 6.002 -4.195 1.00 0.00 H new ATOM 940 N ARG A 65 6.036 6.768 -3.333 1.00 0.00 N ATOM 941 CA ARG A 65 4.784 7.347 -3.810 1.00 0.00 C ATOM 942 C ARG A 65 4.412 6.714 -5.140 1.00 0.00 C ATOM 943 O ARG A 65 5.126 6.912 -6.124 1.00 0.00 O ATOM 944 CB ARG A 65 4.922 8.876 -3.895 1.00 0.00 C ATOM 945 CG ARG A 65 3.698 9.600 -4.471 1.00 0.00 C ATOM 946 CD ARG A 65 3.612 9.538 -6.002 1.00 0.00 C ATOM 947 NE ARG A 65 3.047 10.759 -6.604 1.00 0.00 N ATOM 948 CZ ARG A 65 3.644 11.544 -7.514 1.00 0.00 C ATOM 949 NH1 ARG A 65 4.825 11.243 -8.042 1.00 0.00 N ATOM 950 NH2 ARG A 65 3.030 12.649 -7.905 1.00 0.00 N ATOM 0 H ARG A 65 6.758 7.464 -3.146 1.00 0.00 H new ATOM 0 HA ARG A 65 3.973 7.138 -3.113 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.120 9.265 -2.896 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.790 9.115 -4.509 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.794 9.162 -4.047 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.724 10.644 -4.159 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.609 9.369 -6.408 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.001 8.683 -6.290 1.00 0.00 H new ATOM 0 HE ARG A 65 2.113 11.034 -6.300 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.308 10.391 -7.758 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.249 11.864 -8.732 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.119 12.891 -7.516 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.468 13.259 -8.596 1.00 0.00 H new ATOM 964 N LEU A 66 3.274 6.024 -5.183 1.00 0.00 N ATOM 965 CA LEU A 66 2.652 5.511 -6.400 1.00 0.00 C ATOM 966 C LEU A 66 1.141 5.537 -6.174 1.00 0.00 C ATOM 967 O LEU A 66 0.653 4.830 -5.297 1.00 0.00 O ATOM 968 CB LEU A 66 3.136 4.095 -6.700 1.00 0.00 C ATOM 969 CG LEU A 66 4.550 4.016 -7.294 1.00 0.00 C ATOM 970 CD1 LEU A 66 4.885 2.556 -7.553 1.00 0.00 C ATOM 971 CD2 LEU A 66 4.710 4.779 -8.616 1.00 0.00 C ATOM 0 H LEU A 66 2.742 5.799 -4.342 1.00 0.00 H new ATOM 0 HA LEU A 66 2.921 6.124 -7.260 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.110 3.513 -5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.438 3.626 -7.393 1.00 0.00 H new ATOM 0 HG LEU A 66 5.220 4.479 -6.569 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.887 2.482 -7.975 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.845 2.002 -6.615 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.164 2.136 -8.254 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.735 4.677 -8.973 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.024 4.369 -9.358 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.485 5.834 -8.457 1.00 0.00 H new ATOM 983 N GLN A 67 0.405 6.367 -6.920 1.00 0.00 N ATOM 984 CA GLN A 67 -1.004 6.666 -6.664 1.00 0.00 C ATOM 985 C GLN A 67 -1.939 6.355 -7.834 1.00 0.00 C ATOM 986 O GLN A 67 -3.081 6.816 -7.872 1.00 0.00 O ATOM 987 CB GLN A 67 -1.150 8.118 -6.148 1.00 0.00 C ATOM 988 CG GLN A 67 -0.391 9.298 -6.734 1.00 0.00 C ATOM 989 CD GLN A 67 -0.084 9.139 -8.220 1.00 0.00 C ATOM 990 OE1 GLN A 67 -0.992 9.032 -9.034 1.00 0.00 O ATOM 991 NE2 GLN A 67 1.171 9.058 -8.623 1.00 0.00 N ATOM 0 H GLN A 67 0.780 6.857 -7.732 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.336 5.983 -5.882 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.209 8.366 -6.225 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.905 8.092 -5.086 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.975 10.207 -6.586 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.544 9.427 -6.189 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.930 9.147 -7.948 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.381 8.907 -9.610 1.00 0.00 H new ATOM 1000 N ASP A 68 -1.487 5.548 -8.785 1.00 0.00 N ATOM 1001 CA ASP A 68 -2.221 5.256 -9.999 1.00 0.00 C ATOM 1002 C ASP A 68 -2.512 3.761 -10.080 1.00 0.00 C ATOM 1003 O ASP A 68 -1.752 2.931 -9.585 1.00 0.00 O ATOM 1004 CB ASP A 68 -1.395 5.780 -11.170 1.00 0.00 C ATOM 1005 CG ASP A 68 -1.954 5.395 -12.533 1.00 0.00 C ATOM 1006 OD1 ASP A 68 -3.195 5.310 -12.707 1.00 0.00 O ATOM 1007 OD2 ASP A 68 -1.117 5.190 -13.439 1.00 0.00 O ATOM 0 H ASP A 68 -0.586 5.073 -8.729 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.193 5.749 -10.019 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.336 6.866 -11.105 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.377 5.400 -11.084 1.00 0.00 H new ATOM 1012 N VAL A 69 -3.625 3.409 -10.708 1.00 0.00 N ATOM 1013 CA VAL A 69 -4.021 2.038 -10.995 1.00 0.00 C ATOM 1014 C VAL A 69 -3.062 1.420 -12.009 1.00 0.00 C ATOM 1015 O VAL A 69 -2.654 0.275 -11.852 1.00 0.00 O ATOM 1016 CB VAL A 69 -5.508 2.080 -11.399 1.00 0.00 C ATOM 1017 CG1 VAL A 69 -5.803 2.738 -12.751 1.00 0.00 C ATOM 1018 CG2 VAL A 69 -6.157 0.703 -11.339 1.00 0.00 C ATOM 0 H VAL A 69 -4.301 4.095 -11.044 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.945 1.373 -10.135 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.956 2.729 -10.647 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.876 2.716 -12.940 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.459 3.772 -12.735 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.284 2.195 -13.541 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.204 0.781 -11.632 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.639 0.027 -12.020 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.092 0.314 -10.323 1.00 0.00 H new ATOM 1028 N GLY A 70 -2.584 2.224 -12.959 1.00 0.00 N ATOM 1029 CA GLY A 70 -1.496 1.820 -13.839 1.00 0.00 C ATOM 1030 C GLY A 70 -0.159 1.676 -13.117 1.00 0.00 C ATOM 1031 O GLY A 70 0.746 1.023 -13.633 1.00 0.00 O ATOM 0 H GLY A 70 -2.938 3.164 -13.136 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.751 0.870 -14.309 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.393 2.554 -14.638 1.00 0.00 H new ATOM 1035 N ALA A 71 -0.025 2.247 -11.919 1.00 0.00 N ATOM 1036 CA ALA A 71 1.156 2.073 -11.086 1.00 0.00 C ATOM 1037 C ALA A 71 1.076 0.770 -10.303 1.00 0.00 C ATOM 1038 O ALA A 71 2.056 0.029 -10.315 1.00 0.00 O ATOM 1039 CB ALA A 71 1.407 3.246 -10.136 1.00 0.00 C ATOM 0 H ALA A 71 -0.738 2.845 -11.501 1.00 0.00 H new ATOM 0 HA ALA A 71 2.005 2.036 -11.769 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.302 3.051 -9.545 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.546 4.159 -10.714 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.552 3.365 -9.471 1.00 0.00 H new ATOM 1045 N ILE A 72 -0.037 0.465 -9.616 1.00 0.00 N ATOM 1046 CA ILE A 72 -0.145 -0.711 -8.749 1.00 0.00 C ATOM 1047 C ILE A 72 -1.502 -1.397 -8.904 1.00 0.00 C ATOM 1048 O ILE A 72 -2.548 -0.767 -8.713 1.00 0.00 O ATOM 1049 CB ILE A 72 0.047 -0.357 -7.270 1.00 0.00 C ATOM 1050 CG1 ILE A 72 1.178 0.643 -6.988 1.00 0.00 C ATOM 1051 CG2 ILE A 72 0.344 -1.631 -6.449 1.00 0.00 C ATOM 1052 CD1 ILE A 72 0.671 1.627 -5.934 1.00 0.00 C ATOM 0 H ILE A 72 -0.886 1.030 -9.649 1.00 0.00 H new ATOM 0 HA ILE A 72 0.651 -1.387 -9.063 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.891 0.115 -6.979 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.068 0.124 -6.631 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.460 1.170 -7.900 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.478 -1.365 -5.400 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.490 -2.327 -6.543 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.253 -2.101 -6.823 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.452 2.354 -5.709 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.209 2.146 -6.314 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.408 1.084 -5.026 1.00 0.00 H new ATOM 1064 N LEU A 73 -1.474 -2.711 -9.130 1.00 0.00 N ATOM 1065 CA LEU A 73 -2.586 -3.599 -8.979 1.00 0.00 C ATOM 1066 C LEU A 73 -2.153 -4.511 -7.827 1.00 0.00 C ATOM 1067 O LEU A 73 -2.233 -4.107 -6.673 1.00 0.00 O ATOM 1068 CB LEU A 73 -2.961 -4.251 -10.316 1.00 0.00 C ATOM 1069 CG LEU A 73 -3.328 -3.198 -11.389 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -3.584 -3.883 -12.726 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -4.565 -2.381 -11.051 1.00 0.00 C ATOM 0 H LEU A 73 -0.627 -3.190 -9.437 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.536 -3.133 -8.717 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.127 -4.856 -10.671 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.804 -4.926 -10.167 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.476 -2.520 -11.433 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.842 -3.134 -13.475 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.686 -4.416 -13.039 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.407 -4.589 -12.621 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.758 -1.665 -11.850 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.422 -3.046 -10.945 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.403 -1.846 -10.116 1.00 0.00 H new ATOM 1083 N THR A 74 -1.582 -5.677 -8.097 1.00 0.00 N ATOM 1084 CA THR A 74 -1.251 -6.687 -7.097 1.00 0.00 C ATOM 1085 C THR A 74 0.218 -6.675 -6.669 1.00 0.00 C ATOM 1086 O THR A 74 1.012 -5.839 -7.091 1.00 0.00 O ATOM 1087 CB THR A 74 -1.668 -8.045 -7.682 1.00 0.00 C ATOM 1088 OG1 THR A 74 -1.551 -8.049 -9.095 1.00 0.00 O ATOM 1089 CG2 THR A 74 -3.115 -8.298 -7.285 1.00 0.00 C ATOM 0 H THR A 74 -1.328 -5.956 -9.045 1.00 0.00 H new ATOM 0 HA THR A 74 -1.792 -6.471 -6.176 1.00 0.00 H new ATOM 0 HB THR A 74 -1.015 -8.827 -7.294 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.820 -8.925 -9.443 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.440 -9.258 -7.687 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.197 -8.314 -6.198 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.746 -7.504 -7.685 1.00 0.00 H new ATOM 1097 N ALA A 75 0.599 -7.638 -5.826 1.00 0.00 N ATOM 1098 CA ALA A 75 1.963 -7.850 -5.384 1.00 0.00 C ATOM 1099 C ALA A 75 2.952 -7.994 -6.533 1.00 0.00 C ATOM 1100 O ALA A 75 4.022 -7.402 -6.462 1.00 0.00 O ATOM 1101 CB ALA A 75 2.007 -9.088 -4.490 1.00 0.00 C ATOM 0 H ALA A 75 -0.059 -8.307 -5.425 1.00 0.00 H new ATOM 0 HA ALA A 75 2.270 -6.963 -4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.029 -9.256 -4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.360 -8.936 -3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.663 -9.956 -5.053 1.00 0.00 H new ATOM 1107 N GLU A 76 2.620 -8.763 -7.570 1.00 0.00 N ATOM 1108 CA GLU A 76 3.470 -8.923 -8.755 1.00 0.00 C ATOM 1109 C GLU A 76 3.415 -7.684 -9.653 1.00 0.00 C ATOM 1110 O GLU A 76 4.174 -7.546 -10.610 1.00 0.00 O ATOM 1111 CB GLU A 76 3.038 -10.212 -9.462 1.00 0.00 C ATOM 1112 CG GLU A 76 3.795 -10.586 -10.742 1.00 0.00 C ATOM 1113 CD GLU A 76 3.285 -11.918 -11.287 1.00 0.00 C ATOM 1114 OE1 GLU A 76 3.796 -12.978 -10.857 1.00 0.00 O ATOM 1115 OE2 GLU A 76 2.335 -11.918 -12.109 1.00 0.00 O ATOM 0 H GLU A 76 1.751 -9.295 -7.614 1.00 0.00 H new ATOM 0 HA GLU A 76 4.519 -9.013 -8.474 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.137 -11.036 -8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.979 -10.127 -9.706 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.665 -9.805 -11.491 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.863 -10.655 -10.535 1.00 0.00 H new ATOM 1122 N HIS A 77 2.515 -6.754 -9.352 1.00 0.00 N ATOM 1123 CA HIS A 77 2.470 -5.452 -9.986 1.00 0.00 C ATOM 1124 C HIS A 77 3.262 -4.411 -9.176 1.00 0.00 C ATOM 1125 O HIS A 77 3.377 -3.261 -9.607 1.00 0.00 O ATOM 1126 CB HIS A 77 1.004 -5.076 -10.148 1.00 0.00 C ATOM 1127 CG HIS A 77 0.762 -4.012 -11.168 1.00 0.00 C ATOM 1128 ND1 HIS A 77 1.105 -2.697 -11.041 1.00 0.00 N ATOM 1129 CD2 HIS A 77 -0.102 -4.109 -12.211 1.00 0.00 C ATOM 1130 CE1 HIS A 77 0.372 -1.996 -11.906 1.00 0.00 C ATOM 1131 NE2 HIS A 77 -0.327 -2.822 -12.706 1.00 0.00 N ATOM 0 H HIS A 77 1.788 -6.891 -8.650 1.00 0.00 H new ATOM 0 HA HIS A 77 2.947 -5.481 -10.966 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.439 -5.966 -10.425 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.617 -4.739 -9.186 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.800 -2.318 -10.398 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.539 -5.021 -12.591 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.343 -0.918 -11.957 1.00 0.00 H new ATOM 1139 N ARG A 78 3.802 -4.762 -8.000 1.00 0.00 N ATOM 1140 CA ARG A 78 4.650 -3.860 -7.226 1.00 0.00 C ATOM 1141 C ARG A 78 6.055 -4.436 -7.171 1.00 0.00 C ATOM 1142 O ARG A 78 6.996 -3.831 -7.673 1.00 0.00 O ATOM 1143 CB ARG A 78 4.029 -3.550 -5.848 1.00 0.00 C ATOM 1144 CG ARG A 78 4.384 -2.180 -5.227 1.00 0.00 C ATOM 1145 CD ARG A 78 5.815 -1.666 -5.482 1.00 0.00 C ATOM 1146 NE ARG A 78 5.969 -0.990 -6.776 1.00 0.00 N ATOM 1147 CZ ARG A 78 7.113 -0.549 -7.312 1.00 0.00 C ATOM 1148 NH1 ARG A 78 8.263 -0.683 -6.654 1.00 0.00 N ATOM 1149 NH2 ARG A 78 7.098 0.045 -8.494 1.00 0.00 N ATOM 0 H ARG A 78 3.661 -5.674 -7.566 1.00 0.00 H new ATOM 0 HA ARG A 78 4.722 -2.888 -7.714 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.945 -3.613 -5.940 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.336 -4.331 -5.152 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.681 -1.439 -5.608 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.229 -2.242 -4.150 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.093 -0.977 -4.685 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.509 -2.505 -5.434 1.00 0.00 H new ATOM 0 HE ARG A 78 5.119 -0.842 -7.321 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.276 -1.124 -5.735 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.131 -0.344 -7.069 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.217 0.165 -8.993 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.968 0.383 -8.906 1.00 0.00 H new ATOM 1163 N LEU A 79 6.213 -5.564 -6.493 1.00 0.00 N ATOM 1164 CA LEU A 79 7.410 -6.351 -6.417 1.00 0.00 C ATOM 1165 C LEU A 79 7.377 -7.362 -7.569 1.00 0.00 C ATOM 1166 O LEU A 79 6.417 -7.423 -8.335 1.00 0.00 O ATOM 1167 CB LEU A 79 7.460 -7.047 -5.035 1.00 0.00 C ATOM 1168 CG LEU A 79 6.379 -6.810 -3.959 1.00 0.00 C ATOM 1169 CD1 LEU A 79 6.685 -7.759 -2.796 1.00 0.00 C ATOM 1170 CD2 LEU A 79 6.336 -5.397 -3.380 1.00 0.00 C ATOM 0 H LEU A 79 5.451 -5.970 -5.950 1.00 0.00 H new ATOM 0 HA LEU A 79 8.308 -5.740 -6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.485 -8.120 -5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.416 -6.781 -4.584 1.00 0.00 H new ATOM 0 HG LEU A 79 5.418 -6.977 -4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.942 -7.623 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.655 -8.790 -3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.676 -7.540 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.544 -5.334 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.294 -5.166 -2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.140 -4.682 -4.179 1.00 0.00 H new ATOM 1182 N GLU A 80 8.368 -8.251 -7.602 1.00 0.00 N ATOM 1183 CA GLU A 80 8.397 -9.459 -8.431 1.00 0.00 C ATOM 1184 C GLU A 80 7.200 -10.404 -8.200 1.00 0.00 C ATOM 1185 O GLU A 80 7.014 -11.355 -8.956 1.00 0.00 O ATOM 1186 CB GLU A 80 9.708 -10.206 -8.130 1.00 0.00 C ATOM 1187 CG GLU A 80 9.652 -10.890 -6.753 1.00 0.00 C ATOM 1188 CD GLU A 80 11.023 -11.367 -6.282 1.00 0.00 C ATOM 1189 OE1 GLU A 80 11.667 -12.194 -6.967 1.00 0.00 O ATOM 1190 OE2 GLU A 80 11.426 -11.021 -5.148 1.00 0.00 O ATOM 0 H GLU A 80 9.206 -8.147 -7.030 1.00 0.00 H new ATOM 0 HA GLU A 80 8.333 -9.146 -9.473 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.891 -10.952 -8.903 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.544 -9.507 -8.158 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.242 -10.194 -6.021 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.971 -11.740 -6.800 1.00 0.00 H new ATOM 1197 N GLY A 81 6.419 -10.186 -7.136 1.00 0.00 N ATOM 1198 CA GLY A 81 5.273 -10.977 -6.762 1.00 0.00 C ATOM 1199 C GLY A 81 5.497 -11.754 -5.482 1.00 0.00 C ATOM 1200 O GLY A 81 5.765 -12.954 -5.527 1.00 0.00 O ATOM 0 H GLY A 81 6.589 -9.414 -6.491 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.409 -10.324 -6.640 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.036 -11.672 -7.568 1.00 0.00 H new ATOM 1204 N ARG A 82 5.373 -11.075 -4.330 1.00 0.00 N ATOM 1205 CA ARG A 82 5.427 -11.731 -3.018 1.00 0.00 C ATOM 1206 C ARG A 82 4.435 -11.153 -2.019 1.00 0.00 C ATOM 1207 O ARG A 82 3.757 -11.935 -1.373 1.00 0.00 O ATOM 1208 CB ARG A 82 6.853 -11.741 -2.432 1.00 0.00 C ATOM 1209 CG ARG A 82 7.814 -12.498 -3.353 1.00 0.00 C ATOM 1210 CD ARG A 82 9.192 -12.757 -2.754 1.00 0.00 C ATOM 1211 NE ARG A 82 10.112 -13.181 -3.815 1.00 0.00 N ATOM 1212 CZ ARG A 82 10.097 -14.341 -4.487 1.00 0.00 C ATOM 1213 NH1 ARG A 82 9.242 -15.318 -4.188 1.00 0.00 N ATOM 1214 NH2 ARG A 82 10.959 -14.510 -5.476 1.00 0.00 N ATOM 0 H ARG A 82 5.234 -10.066 -4.284 1.00 0.00 H new ATOM 0 HA ARG A 82 5.129 -12.764 -3.198 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.203 -10.717 -2.296 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.843 -12.207 -1.447 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.363 -13.453 -3.621 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.934 -11.932 -4.277 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.567 -11.854 -2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.128 -13.526 -1.984 1.00 0.00 H new ATOM 0 HE ARG A 82 10.845 -12.519 -4.070 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.573 -15.195 -3.428 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.257 -16.189 -4.719 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.616 -13.766 -5.713 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.967 -15.384 -6.002 1.00 0.00 H new ATOM 1228 N PHE A 83 4.372 -9.832 -1.850 1.00 0.00 N ATOM 1229 CA PHE A 83 3.569 -9.084 -0.875 1.00 0.00 C ATOM 1230 C PHE A 83 3.360 -7.674 -1.450 1.00 0.00 C ATOM 1231 O PHE A 83 3.700 -7.421 -2.603 1.00 0.00 O ATOM 1232 CB PHE A 83 4.329 -8.997 0.467 1.00 0.00 C ATOM 1233 CG PHE A 83 4.258 -10.216 1.367 1.00 0.00 C ATOM 1234 CD1 PHE A 83 3.226 -10.313 2.321 1.00 0.00 C ATOM 1235 CD2 PHE A 83 5.239 -11.222 1.305 1.00 0.00 C ATOM 1236 CE1 PHE A 83 3.212 -11.362 3.253 1.00 0.00 C ATOM 1237 CE2 PHE A 83 5.192 -12.303 2.201 1.00 0.00 C ATOM 1238 CZ PHE A 83 4.209 -12.347 3.201 1.00 0.00 C ATOM 0 H PHE A 83 4.924 -9.206 -2.436 1.00 0.00 H new ATOM 0 HA PHE A 83 2.613 -9.575 -0.696 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.378 -8.793 0.252 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.945 -8.141 1.022 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.439 -9.574 2.335 1.00 0.00 H new ATOM 0 HD2 PHE A 83 6.028 -11.163 0.569 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.439 -11.410 4.005 1.00 0.00 H new ATOM 0 HE2 PHE A 83 5.914 -13.102 2.120 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.220 -13.141 3.933 1.00 0.00 H new ATOM 1248 N THR A 84 2.825 -6.725 -0.690 1.00 0.00 N ATOM 1249 CA THR A 84 2.892 -5.305 -0.997 1.00 0.00 C ATOM 1250 C THR A 84 2.700 -4.548 0.319 1.00 0.00 C ATOM 1251 O THR A 84 1.780 -4.844 1.080 1.00 0.00 O ATOM 1252 CB THR A 84 1.852 -4.970 -2.082 1.00 0.00 C ATOM 1253 OG1 THR A 84 2.522 -5.083 -3.312 1.00 0.00 O ATOM 1254 CG2 THR A 84 1.240 -3.569 -2.025 1.00 0.00 C ATOM 0 H THR A 84 2.323 -6.928 0.174 1.00 0.00 H new ATOM 0 HA THR A 84 3.854 -5.005 -1.413 1.00 0.00 H new ATOM 0 HB THR A 84 1.017 -5.655 -1.934 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.144 -5.839 -3.277 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.524 -3.452 -2.838 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.731 -3.433 -1.071 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.028 -2.823 -2.126 1.00 0.00 H new ATOM 1262 N VAL A 85 3.581 -3.588 0.597 1.00 0.00 N ATOM 1263 CA VAL A 85 3.413 -2.619 1.675 1.00 0.00 C ATOM 1264 C VAL A 85 2.590 -1.473 1.095 1.00 0.00 C ATOM 1265 O VAL A 85 2.931 -0.990 0.014 1.00 0.00 O ATOM 1266 CB VAL A 85 4.788 -2.083 2.146 1.00 0.00 C ATOM 1267 CG1 VAL A 85 4.691 -1.498 3.558 1.00 0.00 C ATOM 1268 CG2 VAL A 85 5.893 -3.143 2.119 1.00 0.00 C ATOM 0 H VAL A 85 4.445 -3.461 0.070 1.00 0.00 H new ATOM 0 HA VAL A 85 2.924 -3.076 2.535 1.00 0.00 H new ATOM 0 HB VAL A 85 5.060 -1.304 1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.669 -1.128 3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.974 -0.677 3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.361 -2.272 4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.829 -2.701 2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.621 -3.969 2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.017 -3.514 1.102 1.00 0.00 H new ATOM 1278 N ILE A 86 1.561 -0.995 1.786 1.00 0.00 N ATOM 1279 CA ILE A 86 0.881 0.253 1.460 1.00 0.00 C ATOM 1280 C ILE A 86 1.232 1.200 2.588 1.00 0.00 C ATOM 1281 O ILE A 86 0.665 1.036 3.670 1.00 0.00 O ATOM 1282 CB ILE A 86 -0.634 -0.004 1.447 1.00 0.00 C ATOM 1283 CG1 ILE A 86 -1.099 -0.835 0.238 1.00 0.00 C ATOM 1284 CG2 ILE A 86 -1.471 1.293 1.508 1.00 0.00 C ATOM 1285 CD1 ILE A 86 -1.253 0.009 -1.024 1.00 0.00 C ATOM 0 H ILE A 86 1.170 -1.470 2.600 1.00 0.00 H new ATOM 0 HA ILE A 86 1.172 0.655 0.489 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.809 -0.579 2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.381 -1.634 0.052 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.051 -1.310 0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.532 1.042 1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.237 1.834 2.425 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.236 1.919 0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.583 -0.625 -1.847 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.991 0.792 -0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.295 0.463 -1.277 1.00 0.00 H new ATOM 1297 N ARG A 87 2.095 2.198 2.381 1.00 0.00 N ATOM 1298 CA ARG A 87 2.380 3.164 3.429 1.00 0.00 C ATOM 1299 C ARG A 87 1.552 4.375 3.072 1.00 0.00 C ATOM 1300 O ARG A 87 2.024 5.284 2.410 1.00 0.00 O ATOM 1301 CB ARG A 87 3.897 3.349 3.591 1.00 0.00 C ATOM 1302 CG ARG A 87 4.344 3.790 4.994 1.00 0.00 C ATOM 1303 CD ARG A 87 4.552 5.291 5.125 1.00 0.00 C ATOM 1304 NE ARG A 87 5.242 5.678 6.368 1.00 0.00 N ATOM 1305 CZ ARG A 87 6.087 6.716 6.465 1.00 0.00 C ATOM 1306 NH1 ARG A 87 6.446 7.414 5.393 1.00 0.00 N ATOM 1307 NH2 ARG A 87 6.576 7.084 7.642 1.00 0.00 N ATOM 0 H ARG A 87 2.599 2.352 1.508 1.00 0.00 H new ATOM 0 HA ARG A 87 2.093 2.859 4.436 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.392 2.410 3.345 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.239 4.088 2.867 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.597 3.471 5.721 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.273 3.280 5.247 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.129 5.647 4.272 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.584 5.790 5.085 1.00 0.00 H new ATOM 0 HE ARG A 87 5.067 5.123 7.206 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.078 7.164 4.475 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.090 8.200 5.488 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.310 6.576 8.486 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.218 7.875 7.703 1.00 0.00 H new ATOM 1321 N ARG A 88 0.258 4.345 3.379 1.00 0.00 N ATOM 1322 CA ARG A 88 -0.598 5.496 3.184 1.00 0.00 C ATOM 1323 C ARG A 88 -0.463 6.371 4.411 1.00 0.00 C ATOM 1324 O ARG A 88 -0.962 5.976 5.467 1.00 0.00 O ATOM 1325 CB ARG A 88 -2.028 5.094 2.849 1.00 0.00 C ATOM 1326 CG ARG A 88 -2.761 6.294 2.252 1.00 0.00 C ATOM 1327 CD ARG A 88 -4.024 5.856 1.523 1.00 0.00 C ATOM 1328 NE ARG A 88 -3.872 4.921 0.392 1.00 0.00 N ATOM 1329 CZ ARG A 88 -4.146 3.613 0.359 1.00 0.00 C ATOM 1330 NH1 ARG A 88 -4.378 2.975 1.487 1.00 0.00 N ATOM 1331 NH2 ARG A 88 -4.187 2.925 -0.779 1.00 0.00 N ATOM 0 H ARG A 88 -0.216 3.529 3.765 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.288 6.073 2.313 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.029 4.264 2.143 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.541 4.749 3.747 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.019 6.997 3.044 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.102 6.820 1.561 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.690 5.395 2.253 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.526 6.750 1.154 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.513 5.323 -0.474 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.348 3.479 2.373 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.588 1.977 1.475 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.006 3.395 -1.666 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.400 1.928 -0.765 1.00 0.00 H new ATOM 1345 N GLY A 89 0.173 7.534 4.264 1.00 0.00 N ATOM 1346 CA GLY A 89 0.449 8.497 5.328 1.00 0.00 C ATOM 1347 C GLY A 89 -0.765 8.872 6.185 1.00 0.00 C ATOM 1348 O GLY A 89 -0.580 9.320 7.312 1.00 0.00 O ATOM 0 H GLY A 89 0.525 7.843 3.358 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.223 8.088 5.978 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.855 9.404 4.881 1.00 0.00 H new ATOM 1352 N LYS A 90 -1.996 8.628 5.709 1.00 0.00 N ATOM 1353 CA LYS A 90 -3.226 8.720 6.498 1.00 0.00 C ATOM 1354 C LYS A 90 -3.089 8.008 7.854 1.00 0.00 C ATOM 1355 O LYS A 90 -3.617 8.500 8.852 1.00 0.00 O ATOM 1356 CB LYS A 90 -4.403 8.134 5.690 1.00 0.00 C ATOM 1357 CG LYS A 90 -5.769 8.608 6.221 1.00 0.00 C ATOM 1358 CD LYS A 90 -6.931 7.661 5.885 1.00 0.00 C ATOM 1359 CE LYS A 90 -6.873 6.407 6.773 1.00 0.00 C ATOM 1360 NZ LYS A 90 -8.115 5.612 6.723 1.00 0.00 N ATOM 0 H LYS A 90 -2.163 8.355 4.741 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.419 9.772 6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.302 8.423 4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.359 7.045 5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.707 8.722 7.303 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.986 9.594 5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.881 8.175 6.031 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.882 7.373 4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.035 5.784 6.459 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.680 6.706 7.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.879 4.599 6.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.703 5.833 7.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.640 5.842 5.855 1.00 0.00 H new ATOM 1374 N LYS A 91 -2.418 6.851 7.898 1.00 0.00 N ATOM 1375 CA LYS A 91 -2.126 6.120 9.127 1.00 0.00 C ATOM 1376 C LYS A 91 -0.730 5.516 9.009 1.00 0.00 C ATOM 1377 O LYS A 91 0.187 6.061 9.618 1.00 0.00 O ATOM 1378 CB LYS A 91 -3.266 5.129 9.450 1.00 0.00 C ATOM 1379 CG LYS A 91 -3.139 4.297 10.735 1.00 0.00 C ATOM 1380 CD LYS A 91 -3.165 5.141 12.018 1.00 0.00 C ATOM 1381 CE LYS A 91 -3.650 4.345 13.243 1.00 0.00 C ATOM 1382 NZ LYS A 91 -2.862 3.123 13.516 1.00 0.00 N ATOM 0 H LYS A 91 -2.058 6.392 7.062 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.098 6.777 9.996 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.197 5.693 9.505 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.360 4.440 8.611 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.952 3.572 10.770 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.208 3.731 10.701 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.165 5.528 12.214 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.816 6.002 11.868 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.615 4.991 14.120 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.693 4.067 13.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.247 2.641 14.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.914 2.486 12.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.870 3.382 13.691 1.00 0.00 H new ATOM 1396 N LYS A 92 -0.524 4.403 8.286 1.00 0.00 N ATOM 1397 CA LYS A 92 0.746 3.688 8.302 1.00 0.00 C ATOM 1398 C LYS A 92 0.919 2.784 7.055 1.00 0.00 C ATOM 1399 O LYS A 92 0.414 3.112 5.966 1.00 0.00 O ATOM 1400 CB LYS A 92 0.822 2.947 9.660 1.00 0.00 C ATOM 1401 CG LYS A 92 2.237 2.894 10.263 1.00 0.00 C ATOM 1402 CD LYS A 92 2.669 4.185 10.976 1.00 0.00 C ATOM 1403 CE LYS A 92 1.862 4.479 12.249 1.00 0.00 C ATOM 1404 NZ LYS A 92 2.217 3.604 13.387 1.00 0.00 N ATOM 0 H LYS A 92 -1.231 3.983 7.682 1.00 0.00 H new ATOM 0 HA LYS A 92 1.594 4.369 8.229 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.154 3.437 10.368 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.455 1.929 9.528 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.287 2.067 10.972 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.950 2.676 9.468 1.00 0.00 H new ATOM 0 HD2 LYS A 92 3.726 4.113 11.233 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.565 5.024 10.287 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.019 5.518 12.537 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.800 4.365 12.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.416 3.553 14.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.437 2.650 13.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.048 3.992 13.878 1.00 0.00 H new ATOM 1418 N TYR A 93 1.708 1.715 7.244 1.00 0.00 N ATOM 1419 CA TYR A 93 2.199 0.676 6.328 1.00 0.00 C ATOM 1420 C TYR A 93 1.419 -0.644 6.432 1.00 0.00 C ATOM 1421 O TYR A 93 1.889 -1.618 7.008 1.00 0.00 O ATOM 1422 CB TYR A 93 3.712 0.431 6.470 1.00 0.00 C ATOM 1423 CG TYR A 93 4.405 0.885 7.745 1.00 0.00 C ATOM 1424 CD1 TYR A 93 4.069 0.310 8.983 1.00 0.00 C ATOM 1425 CD2 TYR A 93 5.481 1.791 7.684 1.00 0.00 C ATOM 1426 CE1 TYR A 93 4.735 0.710 10.155 1.00 0.00 C ATOM 1427 CE2 TYR A 93 6.169 2.182 8.844 1.00 0.00 C ATOM 1428 CZ TYR A 93 5.785 1.650 10.091 1.00 0.00 C ATOM 1429 OH TYR A 93 6.430 2.021 11.227 1.00 0.00 O ATOM 0 H TYR A 93 2.067 1.536 8.182 1.00 0.00 H new ATOM 0 HA TYR A 93 2.019 1.073 5.329 1.00 0.00 H new ATOM 0 HB2 TYR A 93 3.886 -0.640 6.362 1.00 0.00 H new ATOM 0 HB3 TYR A 93 4.207 0.921 5.631 1.00 0.00 H new ATOM 0 HD1 TYR A 93 3.296 -0.442 9.034 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.783 2.192 6.728 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.441 0.296 11.108 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.986 2.885 8.781 1.00 0.00 H new ATOM 0 HH TYR A 93 7.127 2.674 11.009 1.00 0.00 H new ATOM 1439 N TYR A 94 0.211 -0.708 5.896 1.00 0.00 N ATOM 1440 CA TYR A 94 -0.630 -1.888 6.003 1.00 0.00 C ATOM 1441 C TYR A 94 -0.142 -2.908 4.987 1.00 0.00 C ATOM 1442 O TYR A 94 0.232 -2.548 3.863 1.00 0.00 O ATOM 1443 CB TYR A 94 -2.086 -1.504 5.745 1.00 0.00 C ATOM 1444 CG TYR A 94 -2.423 -0.037 5.924 1.00 0.00 C ATOM 1445 CD1 TYR A 94 -2.129 0.821 4.865 1.00 0.00 C ATOM 1446 CD2 TYR A 94 -2.938 0.487 7.121 1.00 0.00 C ATOM 1447 CE1 TYR A 94 -2.242 2.201 5.011 1.00 0.00 C ATOM 1448 CE2 TYR A 94 -3.123 1.876 7.259 1.00 0.00 C ATOM 1449 CZ TYR A 94 -2.738 2.744 6.207 1.00 0.00 C ATOM 1450 OH TYR A 94 -2.815 4.096 6.325 1.00 0.00 O ATOM 0 H TYR A 94 -0.214 0.058 5.374 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.572 -2.319 7.003 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.344 -1.795 4.727 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.720 -2.087 6.413 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.809 0.410 3.919 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.192 -0.175 7.935 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -1.948 2.855 4.203 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.556 2.278 8.163 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.008 4.504 5.947 1.00 0.00 H new ATOM 1460 N LEU A 95 -0.131 -4.174 5.395 1.00 0.00 N ATOM 1461 CA LEU A 95 0.403 -5.246 4.576 1.00 0.00 C ATOM 1462 C LEU A 95 -0.702 -5.809 3.689 1.00 0.00 C ATOM 1463 O LEU A 95 -1.847 -5.950 4.126 1.00 0.00 O ATOM 1464 CB LEU A 95 0.960 -6.367 5.466 1.00 0.00 C ATOM 1465 CG LEU A 95 2.382 -6.836 5.130 1.00 0.00 C ATOM 1466 CD1 LEU A 95 2.697 -8.078 5.971 1.00 0.00 C ATOM 1467 CD2 LEU A 95 2.519 -7.178 3.648 1.00 0.00 C ATOM 0 H LEU A 95 -0.491 -4.480 6.299 1.00 0.00 H new ATOM 0 HA LEU A 95 1.207 -4.849 3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.944 -6.026 6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.290 -7.224 5.402 1.00 0.00 H new ATOM 0 HG LEU A 95 3.081 -6.030 5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.705 -8.425 5.744 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.629 -7.827 7.030 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.981 -8.866 5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.538 -7.507 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.822 -7.976 3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.295 -6.295 3.049 1.00 0.00 H new ATOM 1479 N ILE A 96 -0.356 -6.210 2.475 1.00 0.00 N ATOM 1480 CA ILE A 96 -1.244 -6.896 1.549 1.00 0.00 C ATOM 1481 C ILE A 96 -0.505 -8.099 0.965 1.00 0.00 C ATOM 1482 O ILE A 96 0.667 -7.999 0.591 1.00 0.00 O ATOM 1483 CB ILE A 96 -1.738 -5.919 0.445 1.00 0.00 C ATOM 1484 CG1 ILE A 96 -2.844 -4.968 0.957 1.00 0.00 C ATOM 1485 CG2 ILE A 96 -2.317 -6.656 -0.784 1.00 0.00 C ATOM 1486 CD1 ILE A 96 -2.378 -3.726 1.724 1.00 0.00 C ATOM 0 H ILE A 96 0.579 -6.062 2.096 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.132 -7.253 2.070 1.00 0.00 H new ATOM 0 HB ILE A 96 -0.849 -5.355 0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -3.434 -4.639 0.101 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.511 -5.538 1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.647 -5.926 -1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.549 -7.294 -1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.164 -7.268 -0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.245 -3.140 2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.818 -4.033 2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -1.739 -3.120 1.081 1.00 0.00 H new ATOM 1498 N ARG A 97 -1.211 -9.223 0.837 1.00 0.00 N ATOM 1499 CA ARG A 97 -0.790 -10.347 -0.009 1.00 0.00 C ATOM 1500 C ARG A 97 -1.956 -10.913 -0.823 1.00 0.00 C ATOM 1501 O ARG A 97 -3.093 -10.431 -0.805 1.00 0.00 O ATOM 1502 CB ARG A 97 -0.081 -11.473 0.789 1.00 0.00 C ATOM 1503 CG ARG A 97 1.123 -12.024 0.002 1.00 0.00 C ATOM 1504 CD ARG A 97 1.478 -13.507 0.179 1.00 0.00 C ATOM 1505 NE ARG A 97 1.888 -13.865 1.540 1.00 0.00 N ATOM 1506 CZ ARG A 97 1.195 -14.619 2.403 1.00 0.00 C ATOM 1507 NH1 ARG A 97 -0.076 -14.935 2.168 1.00 0.00 N ATOM 1508 NH2 ARG A 97 1.795 -15.051 3.504 1.00 0.00 N ATOM 0 H ARG A 97 -2.096 -9.383 1.319 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.056 -9.937 -0.702 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.254 -11.087 1.752 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.786 -12.278 0.995 1.00 0.00 H new ATOM 0 HG2 ARG A 97 0.939 -11.848 -1.058 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.999 -11.435 0.275 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.615 -14.112 -0.100 1.00 0.00 H new ATOM 0 HD3 ARG A 97 2.283 -13.762 -0.510 1.00 0.00 H new ATOM 0 HE ARG A 97 2.787 -13.505 1.860 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.536 -14.602 1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.590 -15.510 2.835 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.769 -14.808 3.683 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.282 -15.626 4.172 1.00 0.00 H new ATOM 1522 N TYR A 98 -1.640 -11.975 -1.549 1.00 0.00 N ATOM 1523 CA TYR A 98 -2.566 -12.898 -2.136 1.00 0.00 C ATOM 1524 C TYR A 98 -2.480 -14.232 -1.384 1.00 0.00 C ATOM 1525 O TYR A 98 -1.547 -14.446 -0.605 1.00 0.00 O ATOM 1526 CB TYR A 98 -2.352 -13.017 -3.649 1.00 0.00 C ATOM 1527 CG TYR A 98 -0.979 -12.790 -4.262 1.00 0.00 C ATOM 1528 CD1 TYR A 98 0.191 -13.272 -3.641 1.00 0.00 C ATOM 1529 CD2 TYR A 98 -0.888 -12.159 -5.522 1.00 0.00 C ATOM 1530 CE1 TYR A 98 1.439 -13.112 -4.261 1.00 0.00 C ATOM 1531 CE2 TYR A 98 0.349 -12.046 -6.173 1.00 0.00 C ATOM 1532 CZ TYR A 98 1.515 -12.522 -5.538 1.00 0.00 C ATOM 1533 OH TYR A 98 2.717 -12.364 -6.131 1.00 0.00 O ATOM 0 H TYR A 98 -0.670 -12.219 -1.749 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.587 -12.530 -2.030 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.671 -14.018 -3.940 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.035 -12.314 -4.125 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.126 -13.767 -2.683 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.777 -11.761 -5.988 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.338 -13.440 -3.761 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.408 -11.598 -7.154 1.00 0.00 H new ATOM 0 HH TYR A 98 2.605 -12.369 -7.105 1.00 0.00 H new ATOM 1543 N ALA A 99 -3.491 -15.082 -1.554 1.00 0.00 N ATOM 1544 CA ALA A 99 -3.697 -16.361 -0.885 1.00 0.00 C ATOM 1545 C ALA A 99 -2.744 -17.404 -1.463 1.00 0.00 C ATOM 1546 O ALA A 99 -3.149 -18.393 -2.077 1.00 0.00 O ATOM 1547 CB ALA A 99 -5.170 -16.769 -1.016 1.00 0.00 C ATOM 0 H ALA A 99 -4.242 -14.877 -2.213 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.473 -16.278 0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.328 -17.725 -0.517 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.800 -16.009 -0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -5.429 -16.863 -2.071 1.00 0.00 H new