USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 653 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 39 GLN : amide:sc= -4.86! C(o=-5.3!,f=-5!) USER MOD Set 1.2: A 59 TYR OH : rot 15:sc= -0.404 USER MOD Set 2.1: A 14 SER OG : rot -160:sc= 1.15 USER MOD Set 2.2: A 94 SER OG : rot 180:sc= 0.508 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.907! USER MOD Single : A 35 ASN : amide:sc= -2.73! C(o=-2.7!,f=-5.3!) USER MOD Single : A 36 THR OG1 : rot 160:sc= -0.946 USER MOD Single : A 41 HIS : no HD1:sc= -0.033 X(o=-0.033,f=-0.19) USER MOD Single : A 46 HIS : no HD1:sc= -0.32 X(o=-0.32,f=-0.41) USER MOD Single : A 47 CYS SG : rot -99:sc= -0.202 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -87:sc= 0.822 USER MOD Single : A 64 GLN : amide:sc= -0.0319 K(o=-0.032,f=-1.5!) USER MOD Single : A 68 CYS SG : rot 180:sc= -5.7! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0855 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 141:sc= -1.76 (180deg=-3.57!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -155:sc= -0.757 (180deg=-3.73!) USER MOD Single : A 91 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.224) USER MOD ----------------------------------------------------------------- ATOM 120 N ARG A 12 -1.058 15.448 -12.222 1.00 0.00 N ATOM 121 CA ARG A 12 -1.425 14.533 -13.290 1.00 0.00 C ATOM 122 C ARG A 12 -1.288 13.084 -12.818 1.00 0.00 C ATOM 123 O ARG A 12 -0.223 12.675 -12.358 1.00 0.00 O ATOM 124 CB ARG A 12 -0.545 14.746 -14.524 1.00 0.00 C ATOM 125 CG ARG A 12 -1.375 14.673 -15.807 1.00 0.00 C ATOM 126 CD ARG A 12 -0.731 15.498 -16.924 1.00 0.00 C ATOM 127 NE ARG A 12 -1.754 15.888 -17.919 1.00 0.00 N ATOM 128 CZ ARG A 12 -1.530 16.734 -18.934 1.00 0.00 C ATOM 129 NH1 ARG A 12 -0.319 17.284 -19.094 1.00 0.00 N ATOM 130 NH2 ARG A 12 -2.518 17.030 -19.790 1.00 0.00 N ATOM 0 HA ARG A 12 -2.462 14.735 -13.558 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.051 15.716 -14.460 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.240 13.990 -14.551 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.469 13.635 -16.125 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.383 15.040 -15.614 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.261 16.388 -16.505 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.056 14.919 -17.407 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.688 15.488 -17.827 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.433 17.059 -18.443 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.149 17.928 -19.867 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.440 16.611 -19.669 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.348 17.674 -20.563 1.00 0.00 H new ATOM 144 N TRP A 13 -2.381 12.347 -12.948 1.00 0.00 N ATOM 145 CA TRP A 13 -2.396 10.953 -12.541 1.00 0.00 C ATOM 146 C TRP A 13 -2.704 10.103 -13.775 1.00 0.00 C ATOM 147 O TRP A 13 -3.393 10.554 -14.689 1.00 0.00 O ATOM 148 CB TRP A 13 -3.388 10.726 -11.398 1.00 0.00 C ATOM 149 CG TRP A 13 -2.995 11.414 -10.088 1.00 0.00 C ATOM 150 CD1 TRP A 13 -3.070 12.717 -9.786 1.00 0.00 C ATOM 151 CD2 TRP A 13 -2.459 10.776 -8.909 1.00 0.00 C ATOM 152 NE1 TRP A 13 -2.624 12.965 -8.504 1.00 0.00 N ATOM 153 CE2 TRP A 13 -2.241 11.748 -7.954 1.00 0.00 C ATOM 154 CE3 TRP A 13 -2.169 9.424 -8.659 1.00 0.00 C ATOM 155 CZ2 TRP A 13 -1.723 11.470 -6.683 1.00 0.00 C ATOM 156 CZ3 TRP A 13 -1.652 9.163 -7.384 1.00 0.00 C ATOM 157 CH2 TRP A 13 -1.426 10.129 -6.411 1.00 0.00 C ATOM 0 H TRP A 13 -3.263 12.689 -13.330 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.424 10.657 -12.147 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -4.370 11.086 -11.706 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -3.483 9.655 -11.220 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -3.434 13.478 -10.461 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.583 13.875 -8.045 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.332 8.648 -9.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.561 12.248 -5.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.412 8.139 -7.140 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.023 9.847 -5.450 1.00 0.00 H new ATOM 168 N SER A 14 -2.178 8.887 -13.763 1.00 0.00 N ATOM 169 CA SER A 14 -2.387 7.969 -14.870 1.00 0.00 C ATOM 170 C SER A 14 -3.755 7.297 -14.741 1.00 0.00 C ATOM 171 O SER A 14 -4.444 7.471 -13.737 1.00 0.00 O ATOM 172 CB SER A 14 -1.281 6.914 -14.928 1.00 0.00 C ATOM 173 OG SER A 14 -1.713 5.659 -14.411 1.00 0.00 O ATOM 0 H SER A 14 -1.607 8.516 -13.004 1.00 0.00 H new ATOM 0 HA SER A 14 -2.355 8.540 -15.798 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.954 6.788 -15.960 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.418 7.262 -14.361 1.00 0.00 H new ATOM 0 HG SER A 14 -0.932 5.117 -14.173 1.00 0.00 H new ATOM 179 N PRO A 15 -4.118 6.523 -15.799 1.00 0.00 N ATOM 180 CA PRO A 15 -5.391 5.824 -15.814 1.00 0.00 C ATOM 181 C PRO A 15 -5.358 4.605 -14.889 1.00 0.00 C ATOM 182 O PRO A 15 -4.315 3.977 -14.722 1.00 0.00 O ATOM 183 CB PRO A 15 -5.623 5.458 -17.271 1.00 0.00 C ATOM 184 CG PRO A 15 -4.263 5.552 -17.945 1.00 0.00 C ATOM 185 CD PRO A 15 -3.327 6.294 -17.005 1.00 0.00 C ATOM 0 HA PRO A 15 -6.211 6.435 -15.436 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.035 4.453 -17.361 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.337 6.138 -17.736 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.875 4.557 -18.163 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.344 6.078 -18.896 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.435 5.706 -16.788 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.990 7.234 -17.442 1.00 0.00 H new ATOM 193 N PRO A 16 -6.544 4.301 -14.298 1.00 0.00 N ATOM 194 CA PRO A 16 -6.661 3.169 -13.394 1.00 0.00 C ATOM 195 C PRO A 16 -6.668 1.848 -14.168 1.00 0.00 C ATOM 196 O PRO A 16 -7.438 1.683 -15.113 1.00 0.00 O ATOM 197 CB PRO A 16 -7.948 3.412 -12.623 1.00 0.00 C ATOM 198 CG PRO A 16 -8.740 4.420 -13.440 1.00 0.00 C ATOM 199 CD PRO A 16 -7.801 5.023 -14.472 1.00 0.00 C ATOM 0 HA PRO A 16 -5.814 3.086 -12.713 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.508 2.486 -12.496 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.739 3.797 -11.625 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.585 3.935 -13.929 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.149 5.198 -12.795 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.192 4.900 -15.482 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.669 6.093 -14.310 1.00 0.00 H new ATOM 207 N ARG A 17 -5.802 0.943 -13.738 1.00 0.00 N ATOM 208 CA ARG A 17 -5.699 -0.357 -14.378 1.00 0.00 C ATOM 209 C ARG A 17 -6.625 -1.362 -13.691 1.00 0.00 C ATOM 210 O ARG A 17 -7.049 -1.147 -12.556 1.00 0.00 O ATOM 211 CB ARG A 17 -4.263 -0.883 -14.330 1.00 0.00 C ATOM 212 CG ARG A 17 -3.771 -1.004 -12.886 1.00 0.00 C ATOM 213 CD ARG A 17 -2.464 -1.796 -12.817 1.00 0.00 C ATOM 214 NE ARG A 17 -1.347 -0.976 -13.339 1.00 0.00 N ATOM 215 CZ ARG A 17 -0.055 -1.318 -13.242 1.00 0.00 C ATOM 216 NH1 ARG A 17 0.291 -2.466 -12.643 1.00 0.00 N ATOM 217 NH2 ARG A 17 0.890 -0.513 -13.745 1.00 0.00 N ATOM 0 H ARG A 17 -5.165 1.084 -12.954 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.996 -0.237 -15.420 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.212 -1.856 -14.818 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.608 -0.213 -14.886 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.621 -0.010 -12.465 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.531 -1.496 -12.279 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.261 -2.089 -11.787 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.554 -2.714 -13.398 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.575 -0.096 -13.801 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.429 -3.079 -12.261 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.274 -2.726 -12.569 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.626 0.360 -14.202 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.874 -0.773 -13.671 1.00 0.00 H new ATOM 231 N GLY A 18 -6.913 -2.440 -14.407 1.00 0.00 N ATOM 232 CA GLY A 18 -7.781 -3.479 -13.880 1.00 0.00 C ATOM 233 C GLY A 18 -6.982 -4.737 -13.532 1.00 0.00 C ATOM 234 O GLY A 18 -6.429 -5.389 -14.416 1.00 0.00 O ATOM 0 H GLY A 18 -6.560 -2.616 -15.348 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.295 -3.113 -12.991 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.549 -3.723 -14.614 1.00 0.00 H new ATOM 238 N ILE A 19 -6.948 -5.039 -12.243 1.00 0.00 N ATOM 239 CA ILE A 19 -6.227 -6.208 -11.767 1.00 0.00 C ATOM 240 C ILE A 19 -7.229 -7.268 -11.307 1.00 0.00 C ATOM 241 O ILE A 19 -8.354 -6.943 -10.932 1.00 0.00 O ATOM 242 CB ILE A 19 -5.214 -5.811 -10.691 1.00 0.00 C ATOM 243 CG1 ILE A 19 -4.557 -4.469 -11.024 1.00 0.00 C ATOM 244 CG2 ILE A 19 -4.180 -6.917 -10.477 1.00 0.00 C ATOM 245 CD1 ILE A 19 -3.393 -4.178 -10.075 1.00 0.00 C ATOM 0 H ILE A 19 -7.408 -4.495 -11.513 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.643 -6.650 -12.574 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.749 -5.683 -9.750 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.198 -4.481 -12.053 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.296 -3.671 -10.954 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.472 -6.609 -9.707 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.684 -7.831 -10.162 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.646 -7.101 -11.409 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.944 -3.219 -10.333 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.760 -4.142 -9.049 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.644 -4.965 -10.165 1.00 0.00 H new ATOM 257 N HIS A 20 -6.784 -8.516 -11.352 1.00 0.00 N ATOM 258 CA HIS A 20 -7.628 -9.626 -10.944 1.00 0.00 C ATOM 259 C HIS A 20 -6.796 -10.641 -10.158 1.00 0.00 C ATOM 260 O HIS A 20 -5.940 -11.320 -10.724 1.00 0.00 O ATOM 261 CB HIS A 20 -8.331 -10.246 -12.153 1.00 0.00 C ATOM 262 CG HIS A 20 -7.509 -10.225 -13.420 1.00 0.00 C ATOM 263 ND1 HIS A 20 -7.563 -9.184 -14.331 1.00 0.00 N ATOM 264 CD2 HIS A 20 -6.613 -11.125 -13.916 1.00 0.00 C ATOM 265 CE1 HIS A 20 -6.734 -9.458 -15.328 1.00 0.00 C ATOM 266 NE2 HIS A 20 -6.146 -10.661 -15.069 1.00 0.00 N ATOM 0 H HIS A 20 -5.850 -8.782 -11.665 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.416 -9.265 -10.284 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.592 -11.278 -11.919 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.265 -9.713 -12.330 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.331 -12.058 -13.450 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.555 -8.837 -16.194 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.460 -11.127 -15.663 1.00 0.00 H new ATOM 274 N PHE A 21 -7.076 -10.712 -8.865 1.00 0.00 N ATOM 275 CA PHE A 21 -6.364 -11.632 -7.994 1.00 0.00 C ATOM 276 C PHE A 21 -7.184 -11.947 -6.741 1.00 0.00 C ATOM 277 O PHE A 21 -8.247 -11.366 -6.528 1.00 0.00 O ATOM 278 CB PHE A 21 -5.065 -10.940 -7.578 1.00 0.00 C ATOM 279 CG PHE A 21 -5.259 -9.807 -6.569 1.00 0.00 C ATOM 280 CD1 PHE A 21 -5.534 -8.548 -7.005 1.00 0.00 C ATOM 281 CD2 PHE A 21 -5.157 -10.057 -5.236 1.00 0.00 C ATOM 282 CE1 PHE A 21 -5.714 -7.496 -6.069 1.00 0.00 C ATOM 283 CE2 PHE A 21 -5.337 -9.005 -4.300 1.00 0.00 C ATOM 284 CZ PHE A 21 -5.612 -7.747 -4.736 1.00 0.00 C ATOM 0 H PHE A 21 -7.786 -10.147 -8.399 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.176 -12.569 -8.518 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.391 -11.682 -7.150 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.577 -10.541 -8.467 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.615 -8.349 -8.063 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.939 -11.056 -4.889 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -5.932 -6.496 -6.415 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.255 -9.204 -3.242 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.750 -6.947 -4.024 1.00 0.00 H new ATOM 294 N THR A 22 -6.659 -12.867 -5.945 1.00 0.00 N ATOM 295 CA THR A 22 -7.329 -13.266 -4.719 1.00 0.00 C ATOM 296 C THR A 22 -6.557 -12.759 -3.500 1.00 0.00 C ATOM 297 O THR A 22 -5.353 -12.983 -3.385 1.00 0.00 O ATOM 298 CB THR A 22 -7.494 -14.787 -4.744 1.00 0.00 C ATOM 299 OG1 THR A 22 -8.713 -14.992 -5.452 1.00 0.00 O ATOM 300 CG2 THR A 22 -7.767 -15.369 -3.356 1.00 0.00 C ATOM 0 H THR A 22 -5.777 -13.347 -6.125 1.00 0.00 H new ATOM 0 HA THR A 22 -8.320 -12.818 -4.646 1.00 0.00 H new ATOM 0 HB THR A 22 -6.595 -15.243 -5.158 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.896 -15.953 -5.516 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.876 -16.451 -3.430 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.935 -15.133 -2.692 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.685 -14.939 -2.955 1.00 0.00 H new ATOM 308 N VAL A 23 -7.281 -12.084 -2.619 1.00 0.00 N ATOM 309 CA VAL A 23 -6.680 -11.543 -1.413 1.00 0.00 C ATOM 310 C VAL A 23 -6.228 -12.694 -0.512 1.00 0.00 C ATOM 311 O VAL A 23 -6.626 -13.840 -0.718 1.00 0.00 O ATOM 312 CB VAL A 23 -7.658 -10.592 -0.721 1.00 0.00 C ATOM 313 CG1 VAL A 23 -7.194 -10.266 0.700 1.00 0.00 C ATOM 314 CG2 VAL A 23 -7.853 -9.314 -1.541 1.00 0.00 C ATOM 0 H VAL A 23 -8.279 -11.900 -2.717 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.795 -10.956 -1.659 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.622 -11.096 -0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.907 -9.588 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.130 -11.185 1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.213 -9.792 0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.553 -8.655 -1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.895 -8.807 -1.657 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.250 -9.569 -2.524 1.00 0.00 H new ATOM 324 N GLU A 24 -5.403 -12.350 0.466 1.00 0.00 N ATOM 325 CA GLU A 24 -4.893 -13.341 1.398 1.00 0.00 C ATOM 326 C GLU A 24 -5.067 -12.854 2.838 1.00 0.00 C ATOM 327 O GLU A 24 -4.145 -12.285 3.420 1.00 0.00 O ATOM 328 CB GLU A 24 -3.428 -13.669 1.103 1.00 0.00 C ATOM 329 CG GLU A 24 -3.301 -14.530 -0.155 1.00 0.00 C ATOM 330 CD GLU A 24 -2.682 -15.891 0.171 1.00 0.00 C ATOM 331 OE1 GLU A 24 -1.534 -15.887 0.666 1.00 0.00 O ATOM 332 OE2 GLU A 24 -3.370 -16.903 -0.081 1.00 0.00 O ATOM 0 H GLU A 24 -5.075 -11.399 0.633 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.468 -14.258 1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.864 -12.745 0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.991 -14.194 1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.284 -14.672 -0.603 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.686 -14.014 -0.892 1.00 0.00 H new ATOM 339 N GLU A 25 -6.255 -13.096 3.371 1.00 0.00 N ATOM 340 CA GLU A 25 -6.562 -12.689 4.732 1.00 0.00 C ATOM 341 C GLU A 25 -5.765 -13.532 5.730 1.00 0.00 C ATOM 342 O GLU A 25 -6.345 -14.213 6.575 1.00 0.00 O ATOM 343 CB GLU A 25 -8.064 -12.786 5.008 1.00 0.00 C ATOM 344 CG GLU A 25 -8.656 -11.407 5.308 1.00 0.00 C ATOM 345 CD GLU A 25 -9.655 -11.479 6.464 1.00 0.00 C ATOM 346 OE1 GLU A 25 -10.846 -11.717 6.171 1.00 0.00 O ATOM 347 OE2 GLU A 25 -9.205 -11.295 7.616 1.00 0.00 O ATOM 0 H GLU A 25 -7.017 -13.569 2.885 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.271 -11.646 4.853 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.568 -13.223 4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.240 -13.453 5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.856 -10.710 5.557 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.151 -11.019 4.418 1.00 0.00 H new ATOM 354 N GLY A 26 -4.449 -13.460 5.600 1.00 0.00 N ATOM 355 CA GLY A 26 -3.567 -14.208 6.479 1.00 0.00 C ATOM 356 C GLY A 26 -2.109 -13.790 6.279 1.00 0.00 C ATOM 357 O GLY A 26 -1.353 -13.681 7.243 1.00 0.00 O ATOM 0 H GLY A 26 -3.972 -12.894 4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.857 -14.043 7.517 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.673 -15.275 6.284 1.00 0.00 H new ATOM 361 N ASP A 27 -1.758 -13.566 5.021 1.00 0.00 N ATOM 362 CA ASP A 27 -0.404 -13.162 4.683 1.00 0.00 C ATOM 363 C ASP A 27 -0.414 -12.447 3.330 1.00 0.00 C ATOM 364 O ASP A 27 -0.585 -13.081 2.290 1.00 0.00 O ATOM 365 CB ASP A 27 0.520 -14.375 4.570 1.00 0.00 C ATOM 366 CG ASP A 27 2.010 -14.071 4.739 1.00 0.00 C ATOM 367 OD1 ASP A 27 2.328 -13.286 5.659 1.00 0.00 O ATOM 368 OD2 ASP A 27 2.798 -14.631 3.946 1.00 0.00 O ATOM 0 H ASP A 27 -2.388 -13.657 4.224 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.040 -12.504 5.473 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.227 -15.108 5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.368 -14.839 3.596 1.00 0.00 H new ATOM 373 N LEU A 28 -0.227 -11.137 3.388 1.00 0.00 N ATOM 374 CA LEU A 28 -0.212 -10.329 2.181 1.00 0.00 C ATOM 375 C LEU A 28 1.234 -10.137 1.719 1.00 0.00 C ATOM 376 O LEU A 28 2.146 -10.053 2.540 1.00 0.00 O ATOM 377 CB LEU A 28 -0.965 -9.016 2.405 1.00 0.00 C ATOM 378 CG LEU A 28 -2.474 -9.137 2.623 1.00 0.00 C ATOM 379 CD1 LEU A 28 -3.081 -7.789 3.017 1.00 0.00 C ATOM 380 CD2 LEU A 28 -3.160 -9.737 1.394 1.00 0.00 C ATOM 0 H LEU A 28 -0.085 -10.615 4.253 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.740 -10.839 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.532 -8.515 3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.793 -8.370 1.544 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.645 -9.822 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.155 -7.903 3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.622 -7.439 3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.900 -7.063 2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.232 -9.812 1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.982 -9.097 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.755 -10.730 1.200 1.00 0.00 H new ATOM 392 N GLY A 29 1.399 -10.074 0.405 1.00 0.00 N ATOM 393 CA GLY A 29 2.719 -9.894 -0.176 1.00 0.00 C ATOM 394 C GLY A 29 3.038 -8.409 -0.361 1.00 0.00 C ATOM 395 O GLY A 29 3.915 -8.053 -1.147 1.00 0.00 O ATOM 0 H GLY A 29 0.640 -10.144 -0.273 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.469 -10.354 0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.769 -10.403 -1.138 1.00 0.00 H new ATOM 399 N PHE A 30 2.310 -7.584 0.376 1.00 0.00 N ATOM 400 CA PHE A 30 2.505 -6.146 0.303 1.00 0.00 C ATOM 401 C PHE A 30 1.797 -5.437 1.460 1.00 0.00 C ATOM 402 O PHE A 30 1.110 -6.075 2.256 1.00 0.00 O ATOM 403 CB PHE A 30 1.891 -5.678 -1.018 1.00 0.00 C ATOM 404 CG PHE A 30 0.365 -5.777 -1.065 1.00 0.00 C ATOM 405 CD1 PHE A 30 -0.234 -6.991 -1.194 1.00 0.00 C ATOM 406 CD2 PHE A 30 -0.392 -4.650 -0.977 1.00 0.00 C ATOM 407 CE1 PHE A 30 -1.650 -7.083 -1.237 1.00 0.00 C ATOM 408 CE2 PHE A 30 -1.809 -4.742 -1.021 1.00 0.00 C ATOM 409 CZ PHE A 30 -2.408 -5.956 -1.150 1.00 0.00 C ATOM 0 H PHE A 30 1.584 -7.884 1.027 1.00 0.00 H new ATOM 0 HA PHE A 30 3.568 -5.911 0.364 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.183 -4.643 -1.196 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.309 -6.272 -1.831 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.368 -7.885 -1.264 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.084 -3.686 -0.874 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.126 -8.047 -1.339 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.411 -3.848 -0.952 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.485 -6.026 -1.183 1.00 0.00 H new ATOM 419 N THR A 31 1.991 -4.127 1.516 1.00 0.00 N ATOM 420 CA THR A 31 1.380 -3.325 2.562 1.00 0.00 C ATOM 421 C THR A 31 0.967 -1.958 2.014 1.00 0.00 C ATOM 422 O THR A 31 1.218 -1.651 0.849 1.00 0.00 O ATOM 423 CB THR A 31 2.365 -3.240 3.729 1.00 0.00 C ATOM 424 OG1 THR A 31 2.197 -1.916 4.230 1.00 0.00 O ATOM 425 CG2 THR A 31 3.824 -3.280 3.268 1.00 0.00 C ATOM 0 H THR A 31 2.562 -3.602 0.854 1.00 0.00 H new ATOM 0 HA THR A 31 0.461 -3.784 2.927 1.00 0.00 H new ATOM 0 HB THR A 31 2.179 -4.062 4.421 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.798 -1.776 4.991 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.481 -3.217 4.135 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.012 -4.213 2.737 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.019 -2.439 2.603 1.00 0.00 H new ATOM 433 N LEU A 32 0.342 -1.173 2.879 1.00 0.00 N ATOM 434 CA LEU A 32 -0.107 0.155 2.495 1.00 0.00 C ATOM 435 C LEU A 32 0.642 1.201 3.323 1.00 0.00 C ATOM 436 O LEU A 32 0.602 1.171 4.552 1.00 0.00 O ATOM 437 CB LEU A 32 -1.630 0.258 2.606 1.00 0.00 C ATOM 438 CG LEU A 32 -2.431 -0.810 1.859 1.00 0.00 C ATOM 439 CD1 LEU A 32 -3.933 -0.543 1.965 1.00 0.00 C ATOM 440 CD2 LEU A 32 -1.971 -0.922 0.404 1.00 0.00 C ATOM 0 H LEU A 32 0.136 -1.431 3.844 1.00 0.00 H new ATOM 0 HA LEU A 32 0.127 0.349 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.901 0.216 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.936 1.237 2.237 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.241 -1.773 2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.479 -1.317 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.231 -0.553 3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.161 0.431 1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.556 -1.688 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.113 0.035 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.916 -1.193 0.376 1.00 0.00 H new ATOM 452 N ARG A 33 1.308 2.102 2.616 1.00 0.00 N ATOM 453 CA ARG A 33 2.066 3.156 3.270 1.00 0.00 C ATOM 454 C ARG A 33 1.554 4.529 2.829 1.00 0.00 C ATOM 455 O ARG A 33 0.953 4.659 1.764 1.00 0.00 O ATOM 456 CB ARG A 33 3.557 3.046 2.944 1.00 0.00 C ATOM 457 CG ARG A 33 4.134 1.725 3.457 1.00 0.00 C ATOM 458 CD ARG A 33 5.394 1.965 4.292 1.00 0.00 C ATOM 459 NE ARG A 33 5.108 1.712 5.722 1.00 0.00 N ATOM 460 CZ ARG A 33 5.972 1.960 6.716 1.00 0.00 C ATOM 461 NH1 ARG A 33 7.180 2.470 6.441 1.00 0.00 N ATOM 462 NH2 ARG A 33 5.628 1.699 7.984 1.00 0.00 N ATOM 0 H ARG A 33 1.339 2.124 1.597 1.00 0.00 H new ATOM 0 HA ARG A 33 1.932 3.043 4.346 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.704 3.117 1.866 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.094 3.881 3.394 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.387 1.207 4.059 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.370 1.075 2.614 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.196 1.310 3.952 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.740 2.990 4.157 1.00 0.00 H new ATOM 0 HE ARG A 33 4.197 1.325 5.966 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.442 2.669 5.475 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.838 2.659 7.197 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.708 1.311 8.193 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.286 1.888 8.740 1.00 0.00 H new ATOM 476 N GLY A 34 1.811 5.519 3.672 1.00 0.00 N ATOM 477 CA GLY A 34 1.384 6.877 3.383 1.00 0.00 C ATOM 478 C GLY A 34 -0.006 7.149 3.961 1.00 0.00 C ATOM 479 O GLY A 34 -0.497 6.387 4.792 1.00 0.00 O ATOM 0 H GLY A 34 2.309 5.407 4.555 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.100 7.584 3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.371 7.036 2.305 1.00 0.00 H new ATOM 483 N ASN A 35 -0.602 8.238 3.497 1.00 0.00 N ATOM 484 CA ASN A 35 -1.926 8.621 3.957 1.00 0.00 C ATOM 485 C ASN A 35 -2.961 8.231 2.900 1.00 0.00 C ATOM 486 O ASN A 35 -3.720 7.281 3.090 1.00 0.00 O ATOM 487 CB ASN A 35 -2.018 10.132 4.175 1.00 0.00 C ATOM 488 CG ASN A 35 -3.447 10.549 4.531 1.00 0.00 C ATOM 489 OD1 ASN A 35 -4.327 9.729 4.738 1.00 0.00 O ATOM 490 ND2 ASN A 35 -3.627 11.865 4.592 1.00 0.00 N ATOM 0 H ASN A 35 -0.192 8.867 2.807 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.116 8.109 4.900 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.339 10.430 4.974 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.697 10.653 3.273 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.545 12.244 4.824 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.847 12.496 4.407 1.00 0.00 H new ATOM 497 N THR A 36 -2.959 8.984 1.810 1.00 0.00 N ATOM 498 CA THR A 36 -3.888 8.729 0.722 1.00 0.00 C ATOM 499 C THR A 36 -3.588 9.650 -0.462 1.00 0.00 C ATOM 500 O THR A 36 -3.265 10.822 -0.276 1.00 0.00 O ATOM 501 CB THR A 36 -5.309 8.884 1.268 1.00 0.00 C ATOM 502 OG1 THR A 36 -6.138 8.771 0.115 1.00 0.00 O ATOM 503 CG2 THR A 36 -5.585 10.296 1.789 1.00 0.00 C ATOM 0 H THR A 36 -2.329 9.771 1.657 1.00 0.00 H new ATOM 0 HA THR A 36 -3.780 7.714 0.339 1.00 0.00 H new ATOM 0 HB THR A 36 -5.471 8.163 2.070 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.050 8.539 0.389 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.607 10.352 2.165 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.889 10.529 2.595 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.457 11.014 0.979 1.00 0.00 H new ATOM 511 N PRO A 37 -3.709 9.069 -1.686 1.00 0.00 N ATOM 512 CA PRO A 37 -4.097 7.675 -1.819 1.00 0.00 C ATOM 513 C PRO A 37 -2.936 6.747 -1.455 1.00 0.00 C ATOM 514 O PRO A 37 -1.809 6.952 -1.902 1.00 0.00 O ATOM 515 CB PRO A 37 -4.546 7.527 -3.263 1.00 0.00 C ATOM 516 CG PRO A 37 -3.959 8.716 -4.006 1.00 0.00 C ATOM 517 CD PRO A 37 -3.482 9.723 -2.972 1.00 0.00 C ATOM 0 HA PRO A 37 -4.899 7.394 -1.137 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.192 6.588 -3.688 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.634 7.520 -3.335 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.131 8.399 -4.640 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.707 9.165 -4.659 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.429 9.966 -3.112 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.037 10.658 -3.044 1.00 0.00 H new ATOM 525 N VAL A 38 -3.253 5.745 -0.648 1.00 0.00 N ATOM 526 CA VAL A 38 -2.250 4.784 -0.219 1.00 0.00 C ATOM 527 C VAL A 38 -1.577 4.173 -1.449 1.00 0.00 C ATOM 528 O VAL A 38 -2.179 4.102 -2.520 1.00 0.00 O ATOM 529 CB VAL A 38 -2.887 3.737 0.697 1.00 0.00 C ATOM 530 CG1 VAL A 38 -3.326 4.362 2.023 1.00 0.00 C ATOM 531 CG2 VAL A 38 -4.061 3.043 0.003 1.00 0.00 C ATOM 0 H VAL A 38 -4.189 5.578 -0.280 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.473 5.277 0.365 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.133 2.981 0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.775 3.596 2.655 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.460 4.788 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.056 5.148 1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.496 2.304 0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.817 3.783 -0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.708 2.547 -0.901 1.00 0.00 H new ATOM 541 N GLN A 39 -0.338 3.747 -1.256 1.00 0.00 N ATOM 542 CA GLN A 39 0.424 3.143 -2.336 1.00 0.00 C ATOM 543 C GLN A 39 0.541 1.633 -2.124 1.00 0.00 C ATOM 544 O GLN A 39 -0.121 1.072 -1.252 1.00 0.00 O ATOM 545 CB GLN A 39 1.805 3.789 -2.460 1.00 0.00 C ATOM 546 CG GLN A 39 1.842 4.787 -3.619 1.00 0.00 C ATOM 547 CD GLN A 39 2.922 5.848 -3.395 1.00 0.00 C ATOM 548 OE1 GLN A 39 4.049 5.729 -3.848 1.00 0.00 O ATOM 549 NE2 GLN A 39 2.517 6.887 -2.671 1.00 0.00 N ATOM 0 H GLN A 39 0.158 3.808 -0.367 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.108 3.318 -3.271 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.057 4.298 -1.529 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.559 3.017 -2.616 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.035 4.258 -4.553 1.00 0.00 H new ATOM 0 HG3 GLN A 39 0.869 5.269 -3.720 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.559 6.923 -2.322 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.164 7.648 -2.464 1.00 0.00 H new ATOM 558 N VAL A 40 1.388 1.017 -2.936 1.00 0.00 N ATOM 559 CA VAL A 40 1.601 -0.417 -2.848 1.00 0.00 C ATOM 560 C VAL A 40 3.087 -0.695 -2.614 1.00 0.00 C ATOM 561 O VAL A 40 3.892 -0.604 -3.540 1.00 0.00 O ATOM 562 CB VAL A 40 1.054 -1.105 -4.101 1.00 0.00 C ATOM 563 CG1 VAL A 40 1.510 -2.564 -4.168 1.00 0.00 C ATOM 564 CG2 VAL A 40 -0.472 -1.004 -4.160 1.00 0.00 C ATOM 0 H VAL A 40 1.935 1.486 -3.658 1.00 0.00 H new ATOM 0 HA VAL A 40 1.056 -0.832 -2.001 1.00 0.00 H new ATOM 0 HB VAL A 40 1.458 -0.587 -4.971 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.108 -3.030 -5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.599 -2.604 -4.195 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.149 -3.099 -3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.835 -1.501 -5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.903 -1.484 -3.281 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.767 0.045 -4.181 1.00 0.00 H new ATOM 574 N HIS A 41 3.405 -1.028 -1.372 1.00 0.00 N ATOM 575 CA HIS A 41 4.781 -1.320 -1.005 1.00 0.00 C ATOM 576 C HIS A 41 5.013 -2.832 -1.042 1.00 0.00 C ATOM 577 O HIS A 41 5.234 -3.455 -0.006 1.00 0.00 O ATOM 578 CB HIS A 41 5.124 -0.701 0.351 1.00 0.00 C ATOM 579 CG HIS A 41 6.557 -0.242 0.472 1.00 0.00 C ATOM 580 ND1 HIS A 41 7.124 0.682 -0.388 1.00 0.00 N ATOM 581 CD2 HIS A 41 7.532 -0.588 1.361 1.00 0.00 C ATOM 582 CE1 HIS A 41 8.384 0.874 -0.025 1.00 0.00 C ATOM 583 NE2 HIS A 41 8.635 0.086 1.059 1.00 0.00 N ATOM 0 H HIS A 41 2.734 -1.102 -0.607 1.00 0.00 H new ATOM 0 HA HIS A 41 5.458 -0.866 -1.729 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.465 0.149 0.528 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.920 -1.431 1.134 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.425 -1.292 2.173 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.088 1.538 -0.504 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.524 0.025 1.556 1.00 0.00 H new ATOM 591 N PHE A 42 4.953 -3.378 -2.248 1.00 0.00 N ATOM 592 CA PHE A 42 5.154 -4.804 -2.435 1.00 0.00 C ATOM 593 C PHE A 42 6.306 -5.314 -1.565 1.00 0.00 C ATOM 594 O PHE A 42 7.348 -4.669 -1.469 1.00 0.00 O ATOM 595 CB PHE A 42 5.509 -5.018 -3.907 1.00 0.00 C ATOM 596 CG PHE A 42 4.320 -5.420 -4.782 1.00 0.00 C ATOM 597 CD1 PHE A 42 3.498 -6.430 -4.391 1.00 0.00 C ATOM 598 CD2 PHE A 42 4.086 -4.767 -5.952 1.00 0.00 C ATOM 599 CE1 PHE A 42 2.395 -6.802 -5.203 1.00 0.00 C ATOM 600 CE2 PHE A 42 2.982 -5.139 -6.764 1.00 0.00 C ATOM 601 CZ PHE A 42 2.160 -6.149 -6.372 1.00 0.00 C ATOM 0 H PHE A 42 4.768 -2.858 -3.105 1.00 0.00 H new ATOM 0 HA PHE A 42 4.252 -5.347 -2.152 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.944 -4.100 -4.302 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.276 -5.790 -3.977 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.684 -6.949 -3.463 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.740 -3.966 -6.263 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.742 -7.604 -4.892 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.795 -4.620 -7.693 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.320 -6.432 -6.989 1.00 0.00 H new ATOM 611 N LEU A 43 6.078 -6.468 -0.955 1.00 0.00 N ATOM 612 CA LEU A 43 7.083 -7.072 -0.097 1.00 0.00 C ATOM 613 C LEU A 43 7.607 -8.350 -0.754 1.00 0.00 C ATOM 614 O LEU A 43 8.788 -8.673 -0.638 1.00 0.00 O ATOM 615 CB LEU A 43 6.526 -7.288 1.311 1.00 0.00 C ATOM 616 CG LEU A 43 6.175 -6.022 2.096 1.00 0.00 C ATOM 617 CD1 LEU A 43 5.358 -6.359 3.344 1.00 0.00 C ATOM 618 CD2 LEU A 43 7.434 -5.221 2.434 1.00 0.00 C ATOM 0 H LEU A 43 5.212 -7.001 -1.038 1.00 0.00 H new ATOM 0 HA LEU A 43 7.935 -6.402 0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.630 -7.904 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.257 -7.857 1.886 1.00 0.00 H new ATOM 0 HG LEU A 43 5.551 -5.390 1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.122 -5.442 3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.433 -6.855 3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.936 -7.021 3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.157 -4.326 2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.103 -5.833 3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.940 -4.932 1.513 1.00 0.00 H new ATOM 630 N ASP A 44 6.702 -9.043 -1.430 1.00 0.00 N ATOM 631 CA ASP A 44 7.058 -10.279 -2.106 1.00 0.00 C ATOM 632 C ASP A 44 6.937 -10.082 -3.618 1.00 0.00 C ATOM 633 O ASP A 44 5.903 -9.630 -4.108 1.00 0.00 O ATOM 634 CB ASP A 44 6.121 -11.418 -1.701 1.00 0.00 C ATOM 635 CG ASP A 44 5.872 -11.547 -0.197 1.00 0.00 C ATOM 636 OD1 ASP A 44 6.576 -10.842 0.557 1.00 0.00 O ATOM 637 OD2 ASP A 44 4.983 -12.348 0.165 1.00 0.00 O ATOM 0 H ASP A 44 5.723 -8.772 -1.524 1.00 0.00 H new ATOM 0 HA ASP A 44 8.079 -10.535 -1.824 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.163 -11.276 -2.202 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.536 -12.357 -2.067 1.00 0.00 H new ATOM 642 N PRO A 45 8.036 -10.440 -4.335 1.00 0.00 N ATOM 643 CA PRO A 45 8.062 -10.307 -5.781 1.00 0.00 C ATOM 644 C PRO A 45 7.228 -11.403 -6.448 1.00 0.00 C ATOM 645 O PRO A 45 7.102 -11.435 -7.671 1.00 0.00 O ATOM 646 CB PRO A 45 9.534 -10.371 -6.156 1.00 0.00 C ATOM 647 CG PRO A 45 10.240 -11.000 -4.966 1.00 0.00 C ATOM 648 CD PRO A 45 9.278 -10.979 -3.789 1.00 0.00 C ATOM 0 HA PRO A 45 7.617 -9.373 -6.125 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.682 -10.966 -7.057 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.928 -9.376 -6.363 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.539 -12.023 -5.196 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.149 -10.448 -4.726 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.130 -11.979 -3.381 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.657 -10.357 -2.979 1.00 0.00 H new ATOM 656 N HIS A 46 6.679 -12.274 -5.614 1.00 0.00 N ATOM 657 CA HIS A 46 5.860 -13.368 -6.108 1.00 0.00 C ATOM 658 C HIS A 46 4.614 -13.513 -5.231 1.00 0.00 C ATOM 659 O HIS A 46 4.432 -14.533 -4.568 1.00 0.00 O ATOM 660 CB HIS A 46 6.675 -14.659 -6.197 1.00 0.00 C ATOM 661 CG HIS A 46 8.027 -14.488 -6.848 1.00 0.00 C ATOM 662 ND1 HIS A 46 9.173 -14.195 -6.129 1.00 0.00 N ATOM 663 CD2 HIS A 46 8.404 -14.574 -8.156 1.00 0.00 C ATOM 664 CE1 HIS A 46 10.188 -14.108 -6.977 1.00 0.00 C ATOM 665 NE2 HIS A 46 9.709 -14.343 -8.233 1.00 0.00 N ATOM 0 H HIS A 46 6.785 -12.244 -4.600 1.00 0.00 H new ATOM 0 HA HIS A 46 5.525 -13.147 -7.122 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.815 -15.058 -5.192 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.104 -15.399 -6.758 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.751 -14.793 -8.988 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.214 -13.890 -6.719 1.00 0.00 H new ATOM 0 HE2 HIS A 46 10.262 -14.341 -9.090 1.00 0.00 H new ATOM 673 N CYS A 47 3.789 -12.477 -5.255 1.00 0.00 N ATOM 674 CA CYS A 47 2.566 -12.475 -4.471 1.00 0.00 C ATOM 675 C CYS A 47 1.383 -12.304 -5.426 1.00 0.00 C ATOM 676 O CYS A 47 1.469 -11.557 -6.399 1.00 0.00 O ATOM 677 CB CYS A 47 2.588 -11.393 -3.390 1.00 0.00 C ATOM 678 SG CYS A 47 3.147 -9.804 -4.107 1.00 0.00 S ATOM 0 H CYS A 47 3.944 -11.632 -5.806 1.00 0.00 H new ATOM 0 HA CYS A 47 2.470 -13.423 -3.941 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.593 -11.277 -2.959 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.254 -11.690 -2.580 1.00 0.00 H new ATOM 0 HG CYS A 47 4.409 -9.630 -3.846 1.00 0.00 H new ATOM 684 N SER A 48 0.306 -13.010 -5.115 1.00 0.00 N ATOM 685 CA SER A 48 -0.893 -12.946 -5.933 1.00 0.00 C ATOM 686 C SER A 48 -0.978 -11.587 -6.630 1.00 0.00 C ATOM 687 O SER A 48 -0.921 -11.510 -7.857 1.00 0.00 O ATOM 688 CB SER A 48 -2.148 -13.191 -5.093 1.00 0.00 C ATOM 689 OG SER A 48 -3.155 -13.882 -5.826 1.00 0.00 O ATOM 0 H SER A 48 0.239 -13.629 -4.307 1.00 0.00 H new ATOM 0 HA SER A 48 -0.835 -13.731 -6.687 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.884 -13.768 -4.207 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.543 -12.237 -4.745 1.00 0.00 H new ATOM 0 HG SER A 48 -3.939 -14.020 -5.254 1.00 0.00 H new ATOM 695 N ALA A 49 -1.114 -10.549 -5.819 1.00 0.00 N ATOM 696 CA ALA A 49 -1.208 -9.196 -6.342 1.00 0.00 C ATOM 697 C ALA A 49 -0.257 -9.048 -7.532 1.00 0.00 C ATOM 698 O ALA A 49 -0.680 -8.678 -8.626 1.00 0.00 O ATOM 699 CB ALA A 49 -0.906 -8.194 -5.226 1.00 0.00 C ATOM 0 H ALA A 49 -1.161 -10.617 -4.802 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.218 -8.991 -6.698 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.977 -7.180 -5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.626 -8.321 -4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.101 -8.366 -4.845 1.00 0.00 H new ATOM 705 N SER A 50 1.009 -9.343 -7.278 1.00 0.00 N ATOM 706 CA SER A 50 2.022 -9.247 -8.314 1.00 0.00 C ATOM 707 C SER A 50 1.723 -10.247 -9.433 1.00 0.00 C ATOM 708 O SER A 50 1.756 -9.893 -10.611 1.00 0.00 O ATOM 709 CB SER A 50 3.420 -9.494 -7.742 1.00 0.00 C ATOM 710 OG SER A 50 4.445 -9.126 -8.661 1.00 0.00 O ATOM 0 H SER A 50 1.356 -9.649 -6.369 1.00 0.00 H new ATOM 0 HA SER A 50 1.999 -8.237 -8.722 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.540 -8.927 -6.819 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.525 -10.548 -7.484 1.00 0.00 H new ATOM 0 HG SER A 50 5.322 -9.297 -8.259 1.00 0.00 H new ATOM 716 N LEU A 51 1.437 -11.474 -9.026 1.00 0.00 N ATOM 717 CA LEU A 51 1.132 -12.527 -9.980 1.00 0.00 C ATOM 718 C LEU A 51 0.001 -12.064 -10.900 1.00 0.00 C ATOM 719 O LEU A 51 -0.123 -12.542 -12.026 1.00 0.00 O ATOM 720 CB LEU A 51 0.834 -13.840 -9.252 1.00 0.00 C ATOM 721 CG LEU A 51 2.026 -14.515 -8.571 1.00 0.00 C ATOM 722 CD1 LEU A 51 2.586 -15.644 -9.439 1.00 0.00 C ATOM 723 CD2 LEU A 51 3.100 -13.489 -8.202 1.00 0.00 C ATOM 0 H LEU A 51 1.410 -11.763 -8.048 1.00 0.00 H new ATOM 0 HA LEU A 51 1.996 -12.729 -10.613 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.070 -13.649 -8.498 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.406 -14.541 -9.969 1.00 0.00 H new ATOM 0 HG LEU A 51 1.678 -14.966 -7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.432 -16.107 -8.932 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.811 -16.392 -9.608 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.914 -15.239 -10.396 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.936 -13.995 -7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.451 -12.989 -9.105 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.679 -12.751 -7.519 1.00 0.00 H new ATOM 735 N ALA A 52 -0.796 -11.138 -10.385 1.00 0.00 N ATOM 736 CA ALA A 52 -1.913 -10.605 -11.147 1.00 0.00 C ATOM 737 C ALA A 52 -1.380 -9.693 -12.253 1.00 0.00 C ATOM 738 O ALA A 52 -1.637 -9.927 -13.433 1.00 0.00 O ATOM 739 CB ALA A 52 -2.873 -9.878 -10.203 1.00 0.00 C ATOM 0 H ALA A 52 -0.690 -10.744 -9.450 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.472 -11.410 -11.624 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.711 -9.478 -10.774 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.245 -10.577 -9.453 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.348 -9.061 -9.708 1.00 0.00 H new ATOM 745 N GLY A 53 -0.649 -8.671 -11.833 1.00 0.00 N ATOM 746 CA GLY A 53 -0.078 -7.722 -12.774 1.00 0.00 C ATOM 747 C GLY A 53 0.003 -6.323 -12.161 1.00 0.00 C ATOM 748 O GLY A 53 -0.343 -5.336 -12.809 1.00 0.00 O ATOM 0 H GLY A 53 -0.439 -8.479 -10.853 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.918 -8.052 -13.069 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.685 -7.692 -13.679 1.00 0.00 H new ATOM 752 N ALA A 54 0.461 -6.282 -10.919 1.00 0.00 N ATOM 753 CA ALA A 54 0.592 -5.020 -10.210 1.00 0.00 C ATOM 754 C ALA A 54 2.075 -4.680 -10.051 1.00 0.00 C ATOM 755 O ALA A 54 2.935 -5.544 -10.221 1.00 0.00 O ATOM 756 CB ALA A 54 -0.133 -5.111 -8.866 1.00 0.00 C ATOM 0 H ALA A 54 0.746 -7.103 -10.385 1.00 0.00 H new ATOM 0 HA ALA A 54 0.128 -4.212 -10.776 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.034 -4.164 -8.335 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.188 -5.324 -9.036 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.307 -5.910 -8.269 1.00 0.00 H new ATOM 762 N LYS A 55 2.330 -3.421 -9.727 1.00 0.00 N ATOM 763 CA LYS A 55 3.695 -2.957 -9.543 1.00 0.00 C ATOM 764 C LYS A 55 3.741 -1.976 -8.370 1.00 0.00 C ATOM 765 O LYS A 55 2.703 -1.597 -7.832 1.00 0.00 O ATOM 766 CB LYS A 55 4.245 -2.381 -10.849 1.00 0.00 C ATOM 767 CG LYS A 55 4.475 -3.486 -11.882 1.00 0.00 C ATOM 768 CD LYS A 55 5.632 -3.130 -12.818 1.00 0.00 C ATOM 769 CE LYS A 55 5.207 -2.071 -13.837 1.00 0.00 C ATOM 770 NZ LYS A 55 6.163 -0.941 -13.841 1.00 0.00 N ATOM 0 H LYS A 55 1.615 -2.708 -9.587 1.00 0.00 H new ATOM 0 HA LYS A 55 4.350 -3.790 -9.288 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.547 -1.645 -11.248 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.182 -1.859 -10.654 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.690 -4.425 -11.373 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.566 -3.640 -12.464 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.476 -2.761 -12.235 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.972 -4.025 -13.339 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.156 -2.515 -14.831 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.207 -1.708 -13.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.859 -0.232 -14.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.192 -0.507 -12.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.111 -1.289 -14.091 1.00 0.00 H new ATOM 784 N GLU A 56 4.957 -1.593 -8.009 1.00 0.00 N ATOM 785 CA GLU A 56 5.153 -0.663 -6.909 1.00 0.00 C ATOM 786 C GLU A 56 4.714 0.744 -7.320 1.00 0.00 C ATOM 787 O GLU A 56 4.393 0.983 -8.483 1.00 0.00 O ATOM 788 CB GLU A 56 6.609 -0.668 -6.440 1.00 0.00 C ATOM 789 CG GLU A 56 6.863 -1.808 -5.451 1.00 0.00 C ATOM 790 CD GLU A 56 8.265 -2.393 -5.636 1.00 0.00 C ATOM 791 OE1 GLU A 56 8.614 -2.672 -6.803 1.00 0.00 O ATOM 792 OE2 GLU A 56 8.955 -2.547 -4.606 1.00 0.00 O ATOM 0 H GLU A 56 5.816 -1.909 -8.458 1.00 0.00 H new ATOM 0 HA GLU A 56 4.535 -0.985 -6.071 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.271 -0.773 -7.299 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.846 0.286 -5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.750 -1.441 -4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.117 -2.590 -5.593 1.00 0.00 H new ATOM 799 N GLY A 57 4.714 1.638 -6.342 1.00 0.00 N ATOM 800 CA GLY A 57 4.320 3.015 -6.586 1.00 0.00 C ATOM 801 C GLY A 57 2.886 3.088 -7.116 1.00 0.00 C ATOM 802 O GLY A 57 2.492 4.089 -7.712 1.00 0.00 O ATOM 0 H GLY A 57 4.981 1.435 -5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.400 3.589 -5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.001 3.470 -7.305 1.00 0.00 H new ATOM 806 N ASP A 58 2.146 2.016 -6.879 1.00 0.00 N ATOM 807 CA ASP A 58 0.765 1.946 -7.325 1.00 0.00 C ATOM 808 C ASP A 58 -0.147 2.517 -6.237 1.00 0.00 C ATOM 809 O ASP A 58 -0.040 2.140 -5.071 1.00 0.00 O ATOM 810 CB ASP A 58 0.342 0.499 -7.585 1.00 0.00 C ATOM 811 CG ASP A 58 0.784 -0.071 -8.934 1.00 0.00 C ATOM 812 OD1 ASP A 58 1.519 0.650 -9.641 1.00 0.00 O ATOM 813 OD2 ASP A 58 0.376 -1.216 -9.226 1.00 0.00 O ATOM 0 H ASP A 58 2.477 1.188 -6.384 1.00 0.00 H new ATOM 0 HA ASP A 58 0.680 2.518 -8.249 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.746 -0.130 -6.792 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.744 0.436 -7.519 1.00 0.00 H new ATOM 818 N TYR A 59 -1.024 3.418 -6.656 1.00 0.00 N ATOM 819 CA TYR A 59 -1.954 4.044 -5.732 1.00 0.00 C ATOM 820 C TYR A 59 -3.366 3.485 -5.912 1.00 0.00 C ATOM 821 O TYR A 59 -3.979 3.663 -6.963 1.00 0.00 O ATOM 822 CB TYR A 59 -1.959 5.533 -6.084 1.00 0.00 C ATOM 823 CG TYR A 59 -0.588 6.203 -5.978 1.00 0.00 C ATOM 824 CD1 TYR A 59 0.404 5.892 -6.886 1.00 0.00 C ATOM 825 CD2 TYR A 59 -0.342 7.118 -4.974 1.00 0.00 C ATOM 826 CE1 TYR A 59 1.695 6.522 -6.786 1.00 0.00 C ATOM 827 CE2 TYR A 59 0.949 7.748 -4.875 1.00 0.00 C ATOM 828 CZ TYR A 59 1.904 7.419 -5.785 1.00 0.00 C ATOM 829 OH TYR A 59 3.123 8.014 -5.691 1.00 0.00 O ATOM 0 H TYR A 59 -1.110 3.729 -7.624 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.654 3.859 -4.701 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.333 5.654 -7.101 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.656 6.049 -5.424 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.212 5.176 -7.672 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.118 7.361 -4.263 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.480 6.288 -7.490 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.154 8.466 -4.095 1.00 0.00 H new ATOM 0 HH TYR A 59 3.620 7.876 -6.524 1.00 0.00 H new ATOM 839 N ILE A 60 -3.842 2.819 -4.869 1.00 0.00 N ATOM 840 CA ILE A 60 -5.170 2.232 -4.899 1.00 0.00 C ATOM 841 C ILE A 60 -6.214 3.348 -4.981 1.00 0.00 C ATOM 842 O ILE A 60 -6.201 4.276 -4.174 1.00 0.00 O ATOM 843 CB ILE A 60 -5.368 1.292 -3.708 1.00 0.00 C ATOM 844 CG1 ILE A 60 -4.209 0.299 -3.596 1.00 0.00 C ATOM 845 CG2 ILE A 60 -6.723 0.586 -3.785 1.00 0.00 C ATOM 846 CD1 ILE A 60 -3.320 0.626 -2.395 1.00 0.00 C ATOM 0 H ILE A 60 -3.331 2.673 -3.998 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.293 1.613 -5.788 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.369 1.890 -2.797 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.601 -0.713 -3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.615 0.323 -4.510 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.838 -0.076 -2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.521 1.329 -3.780 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.777 0.002 -4.703 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.504 -0.095 -2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.910 1.630 -2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.911 0.577 -1.481 1.00 0.00 H new ATOM 858 N VAL A 61 -7.095 3.220 -5.963 1.00 0.00 N ATOM 859 CA VAL A 61 -8.143 4.206 -6.161 1.00 0.00 C ATOM 860 C VAL A 61 -9.493 3.592 -5.782 1.00 0.00 C ATOM 861 O VAL A 61 -10.335 4.258 -5.183 1.00 0.00 O ATOM 862 CB VAL A 61 -8.106 4.728 -7.598 1.00 0.00 C ATOM 863 CG1 VAL A 61 -6.818 5.509 -7.865 1.00 0.00 C ATOM 864 CG2 VAL A 61 -8.273 3.585 -8.601 1.00 0.00 C ATOM 0 H VAL A 61 -7.104 2.448 -6.630 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.984 5.068 -5.513 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.945 5.412 -7.728 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.817 5.869 -8.894 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.759 6.358 -7.184 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.958 4.858 -7.708 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.243 3.984 -9.615 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.465 2.865 -8.470 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.230 3.091 -8.433 1.00 0.00 H new ATOM 874 N SER A 62 -9.655 2.329 -6.148 1.00 0.00 N ATOM 875 CA SER A 62 -10.888 1.618 -5.854 1.00 0.00 C ATOM 876 C SER A 62 -10.618 0.114 -5.776 1.00 0.00 C ATOM 877 O SER A 62 -9.610 -0.367 -6.291 1.00 0.00 O ATOM 878 CB SER A 62 -11.958 1.911 -6.908 1.00 0.00 C ATOM 879 OG SER A 62 -12.384 3.270 -6.872 1.00 0.00 O ATOM 0 H SER A 62 -8.954 1.780 -6.645 1.00 0.00 H new ATOM 0 HA SER A 62 -11.261 1.965 -4.890 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.565 1.680 -7.898 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.815 1.258 -6.746 1.00 0.00 H new ATOM 0 HG SER A 62 -13.108 3.369 -6.219 1.00 0.00 H new ATOM 885 N ILE A 63 -11.537 -0.587 -5.128 1.00 0.00 N ATOM 886 CA ILE A 63 -11.411 -2.027 -4.976 1.00 0.00 C ATOM 887 C ILE A 63 -12.776 -2.680 -5.199 1.00 0.00 C ATOM 888 O ILE A 63 -13.702 -2.475 -4.416 1.00 0.00 O ATOM 889 CB ILE A 63 -10.778 -2.370 -3.626 1.00 0.00 C ATOM 890 CG1 ILE A 63 -9.353 -1.820 -3.533 1.00 0.00 C ATOM 891 CG2 ILE A 63 -10.830 -3.876 -3.363 1.00 0.00 C ATOM 892 CD1 ILE A 63 -8.769 -2.044 -2.137 1.00 0.00 C ATOM 0 H ILE A 63 -12.372 -0.185 -4.702 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.736 -2.432 -5.730 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.361 -1.886 -2.842 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.722 -2.306 -4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.355 -0.755 -3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.374 -4.093 -2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.868 -4.209 -3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.285 -4.401 -4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.756 -1.644 -2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.388 -1.536 -1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.746 -3.112 -1.919 1.00 0.00 H new ATOM 904 N GLN A 64 -12.858 -3.454 -6.272 1.00 0.00 N ATOM 905 CA GLN A 64 -14.095 -4.139 -6.608 1.00 0.00 C ATOM 906 C GLN A 64 -15.105 -3.152 -7.196 1.00 0.00 C ATOM 907 O GLN A 64 -15.585 -3.341 -8.313 1.00 0.00 O ATOM 908 CB GLN A 64 -14.675 -4.854 -5.386 1.00 0.00 C ATOM 909 CG GLN A 64 -14.734 -6.366 -5.613 1.00 0.00 C ATOM 910 CD GLN A 64 -15.873 -6.733 -6.567 1.00 0.00 C ATOM 911 OE1 GLN A 64 -16.761 -5.944 -6.848 1.00 0.00 O ATOM 912 NE2 GLN A 64 -15.798 -7.970 -7.049 1.00 0.00 N ATOM 0 H GLN A 64 -12.088 -3.622 -6.920 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.876 -4.896 -7.361 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -14.064 -4.638 -4.510 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.676 -4.474 -5.179 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.785 -6.713 -6.023 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.875 -6.875 -4.660 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.028 -8.579 -6.773 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -16.511 -8.310 -7.695 1.00 0.00 H new ATOM 921 N GLY A 65 -15.398 -2.120 -6.419 1.00 0.00 N ATOM 922 CA GLY A 65 -16.343 -1.103 -6.849 1.00 0.00 C ATOM 923 C GLY A 65 -16.591 -0.081 -5.738 1.00 0.00 C ATOM 924 O GLY A 65 -17.713 0.394 -5.566 1.00 0.00 O ATOM 0 H GLY A 65 -14.998 -1.966 -5.494 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.960 -0.597 -7.735 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -17.285 -1.573 -7.133 1.00 0.00 H new ATOM 928 N VAL A 66 -15.526 0.229 -5.013 1.00 0.00 N ATOM 929 CA VAL A 66 -15.615 1.186 -3.924 1.00 0.00 C ATOM 930 C VAL A 66 -14.598 2.307 -4.151 1.00 0.00 C ATOM 931 O VAL A 66 -13.668 2.154 -4.941 1.00 0.00 O ATOM 932 CB VAL A 66 -15.428 0.473 -2.583 1.00 0.00 C ATOM 933 CG1 VAL A 66 -15.301 1.480 -1.439 1.00 0.00 C ATOM 934 CG2 VAL A 66 -16.570 -0.512 -2.323 1.00 0.00 C ATOM 0 H VAL A 66 -14.597 -0.166 -5.159 1.00 0.00 H new ATOM 0 HA VAL A 66 -16.604 1.644 -3.899 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.499 -0.095 -2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -15.169 0.947 -0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -14.439 2.124 -1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.204 2.088 -1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -16.413 -1.006 -1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -17.518 0.026 -2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.594 -1.259 -3.116 1.00 0.00 H new ATOM 944 N ASP A 67 -14.809 3.407 -3.444 1.00 0.00 N ATOM 945 CA ASP A 67 -13.923 4.552 -3.559 1.00 0.00 C ATOM 946 C ASP A 67 -12.806 4.434 -2.519 1.00 0.00 C ATOM 947 O ASP A 67 -13.064 4.485 -1.318 1.00 0.00 O ATOM 948 CB ASP A 67 -14.675 5.859 -3.298 1.00 0.00 C ATOM 949 CG ASP A 67 -14.537 6.915 -4.397 1.00 0.00 C ATOM 950 OD1 ASP A 67 -13.442 6.968 -4.998 1.00 0.00 O ATOM 951 OD2 ASP A 67 -15.529 7.644 -4.611 1.00 0.00 O ATOM 0 H ASP A 67 -15.581 3.530 -2.789 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.518 4.564 -4.571 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -15.733 5.632 -3.164 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.319 6.284 -2.360 1.00 0.00 H new ATOM 956 N CYS A 68 -11.589 4.278 -3.020 1.00 0.00 N ATOM 957 CA CYS A 68 -10.433 4.151 -2.150 1.00 0.00 C ATOM 958 C CYS A 68 -9.394 5.189 -2.579 1.00 0.00 C ATOM 959 O CYS A 68 -8.224 4.860 -2.771 1.00 0.00 O ATOM 960 CB CYS A 68 -9.863 2.732 -2.169 1.00 0.00 C ATOM 961 SG CYS A 68 -10.925 1.617 -1.180 1.00 0.00 S ATOM 0 H CYS A 68 -11.379 4.237 -4.017 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.729 4.338 -1.118 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -9.799 2.371 -3.195 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.850 2.733 -1.768 1.00 0.00 H new ATOM 0 HG CYS A 68 -10.433 0.414 -1.205 1.00 0.00 H new ATOM 967 N LYS A 69 -9.858 6.423 -2.715 1.00 0.00 N ATOM 968 CA LYS A 69 -8.983 7.511 -3.118 1.00 0.00 C ATOM 969 C LYS A 69 -8.887 8.529 -1.980 1.00 0.00 C ATOM 970 O LYS A 69 -8.075 9.452 -2.034 1.00 0.00 O ATOM 971 CB LYS A 69 -9.452 8.113 -4.443 1.00 0.00 C ATOM 972 CG LYS A 69 -8.272 8.346 -5.389 1.00 0.00 C ATOM 973 CD LYS A 69 -8.566 9.488 -6.363 1.00 0.00 C ATOM 974 CE LYS A 69 -8.619 10.831 -5.632 1.00 0.00 C ATOM 975 NZ LYS A 69 -7.706 11.805 -6.270 1.00 0.00 N ATOM 0 H LYS A 69 -10.828 6.693 -2.553 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.974 7.141 -3.302 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.174 7.446 -4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.965 9.057 -4.256 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.378 8.578 -4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.063 7.433 -5.946 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.797 9.520 -7.135 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.515 9.306 -6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.638 11.218 -5.643 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.341 10.694 -4.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.754 12.711 -5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.732 11.441 -6.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.989 11.949 -7.260 1.00 0.00 H new ATOM 989 N TRP A 70 -9.727 8.327 -0.975 1.00 0.00 N ATOM 990 CA TRP A 70 -9.746 9.216 0.174 1.00 0.00 C ATOM 991 C TRP A 70 -9.741 8.355 1.439 1.00 0.00 C ATOM 992 O TRP A 70 -9.950 8.861 2.540 1.00 0.00 O ATOM 993 CB TRP A 70 -10.939 10.173 0.108 1.00 0.00 C ATOM 994 CG TRP A 70 -11.104 10.868 -1.245 1.00 0.00 C ATOM 995 CD1 TRP A 70 -11.802 10.446 -2.309 1.00 0.00 C ATOM 996 CD2 TRP A 70 -10.530 12.132 -1.638 1.00 0.00 C ATOM 997 NE1 TRP A 70 -11.719 11.343 -3.355 1.00 0.00 N ATOM 998 CE2 TRP A 70 -10.921 12.400 -2.934 1.00 0.00 C ATOM 999 CE3 TRP A 70 -9.707 13.019 -0.923 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -10.538 13.555 -3.627 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -9.333 14.169 -1.629 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -9.718 14.454 -2.934 1.00 0.00 C ATOM 0 H TRP A 70 -10.399 7.561 -0.933 1.00 0.00 H new ATOM 0 HA TRP A 70 -8.861 9.853 0.182 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.850 9.618 0.334 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.827 10.931 0.883 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -12.359 9.521 -2.343 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -12.162 11.248 -4.269 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -9.388 12.829 0.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -10.858 13.742 -4.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -8.701 14.885 -1.124 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -9.386 15.364 -3.411 1.00 0.00 H new ATOM 1013 N LEU A 71 -9.499 7.068 1.238 1.00 0.00 N ATOM 1014 CA LEU A 71 -9.464 6.131 2.348 1.00 0.00 C ATOM 1015 C LEU A 71 -8.052 6.098 2.937 1.00 0.00 C ATOM 1016 O LEU A 71 -7.081 6.403 2.247 1.00 0.00 O ATOM 1017 CB LEU A 71 -9.979 4.759 1.909 1.00 0.00 C ATOM 1018 CG LEU A 71 -11.450 4.697 1.493 1.00 0.00 C ATOM 1019 CD1 LEU A 71 -11.913 3.248 1.327 1.00 0.00 C ATOM 1020 CD2 LEU A 71 -12.331 5.471 2.475 1.00 0.00 C ATOM 0 H LEU A 71 -9.325 6.652 0.323 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.135 6.457 3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.371 4.415 1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.823 4.056 2.727 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.550 5.180 0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.962 3.233 1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.312 2.760 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.795 2.718 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.371 5.411 2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.231 5.040 3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.019 6.515 2.499 1.00 0.00 H new ATOM 1032 N THR A 72 -7.983 5.724 4.206 1.00 0.00 N ATOM 1033 CA THR A 72 -6.706 5.647 4.895 1.00 0.00 C ATOM 1034 C THR A 72 -6.063 4.276 4.674 1.00 0.00 C ATOM 1035 O THR A 72 -6.516 3.503 3.832 1.00 0.00 O ATOM 1036 CB THR A 72 -6.945 5.975 6.371 1.00 0.00 C ATOM 1037 OG1 THR A 72 -7.900 5.005 6.792 1.00 0.00 O ATOM 1038 CG2 THR A 72 -7.661 7.313 6.564 1.00 0.00 C ATOM 0 H THR A 72 -8.791 5.471 4.775 1.00 0.00 H new ATOM 0 HA THR A 72 -5.997 6.372 4.496 1.00 0.00 H new ATOM 0 HB THR A 72 -5.991 5.995 6.898 1.00 0.00 H new ATOM 0 HG1 THR A 72 -8.111 5.143 7.739 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.806 7.498 7.628 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.058 8.114 6.136 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.630 7.282 6.066 1.00 0.00 H new ATOM 1046 N VAL A 73 -5.017 4.018 5.445 1.00 0.00 N ATOM 1047 CA VAL A 73 -4.307 2.754 5.344 1.00 0.00 C ATOM 1048 C VAL A 73 -5.128 1.657 6.023 1.00 0.00 C ATOM 1049 O VAL A 73 -5.024 0.485 5.662 1.00 0.00 O ATOM 1050 CB VAL A 73 -2.900 2.897 5.929 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -2.335 1.534 6.336 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -1.967 3.606 4.947 1.00 0.00 C ATOM 0 H VAL A 73 -4.644 4.662 6.142 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.183 2.467 4.300 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.971 3.512 6.826 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.334 1.663 6.749 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.982 1.082 7.088 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.286 0.885 5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.974 3.694 5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.904 3.030 4.024 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.357 4.600 4.728 1.00 0.00 H new ATOM 1062 N SER A 74 -5.927 2.074 6.994 1.00 0.00 N ATOM 1063 CA SER A 74 -6.766 1.141 7.727 1.00 0.00 C ATOM 1064 C SER A 74 -8.012 0.803 6.906 1.00 0.00 C ATOM 1065 O SER A 74 -8.304 -0.368 6.669 1.00 0.00 O ATOM 1066 CB SER A 74 -7.166 1.712 9.088 1.00 0.00 C ATOM 1067 OG SER A 74 -7.560 0.691 10.000 1.00 0.00 O ATOM 0 H SER A 74 -6.011 3.046 7.290 1.00 0.00 H new ATOM 0 HA SER A 74 -6.194 0.229 7.900 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.329 2.269 9.508 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.986 2.418 8.958 1.00 0.00 H new ATOM 0 HG SER A 74 -7.806 1.096 10.858 1.00 0.00 H new ATOM 1073 N GLU A 75 -8.713 1.849 6.495 1.00 0.00 N ATOM 1074 CA GLU A 75 -9.921 1.678 5.706 1.00 0.00 C ATOM 1075 C GLU A 75 -9.693 0.641 4.604 1.00 0.00 C ATOM 1076 O GLU A 75 -10.329 -0.412 4.596 1.00 0.00 O ATOM 1077 CB GLU A 75 -10.385 3.011 5.116 1.00 0.00 C ATOM 1078 CG GLU A 75 -10.976 3.914 6.201 1.00 0.00 C ATOM 1079 CD GLU A 75 -11.222 5.326 5.665 1.00 0.00 C ATOM 1080 OE1 GLU A 75 -10.217 5.989 5.330 1.00 0.00 O ATOM 1081 OE2 GLU A 75 -12.410 5.710 5.602 1.00 0.00 O ATOM 0 H GLU A 75 -8.467 2.819 6.694 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.711 1.315 6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.544 3.513 4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.131 2.830 4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.913 3.490 6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.297 3.958 7.053 1.00 0.00 H new ATOM 1088 N VAL A 76 -8.782 0.974 3.702 1.00 0.00 N ATOM 1089 CA VAL A 76 -8.462 0.085 2.598 1.00 0.00 C ATOM 1090 C VAL A 76 -8.153 -1.310 3.145 1.00 0.00 C ATOM 1091 O VAL A 76 -8.758 -2.294 2.723 1.00 0.00 O ATOM 1092 CB VAL A 76 -7.315 0.670 1.771 1.00 0.00 C ATOM 1093 CG1 VAL A 76 -6.847 -0.322 0.704 1.00 0.00 C ATOM 1094 CG2 VAL A 76 -7.718 2.004 1.140 1.00 0.00 C ATOM 0 H VAL A 76 -8.255 1.847 3.713 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.314 -0.011 1.926 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.479 0.857 2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.031 0.118 0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.500 -1.237 1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.676 -0.555 0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.885 2.398 0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.577 1.853 0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.979 2.714 1.925 1.00 0.00 H new ATOM 1104 N MET A 77 -7.213 -1.350 4.078 1.00 0.00 N ATOM 1105 CA MET A 77 -6.817 -2.608 4.687 1.00 0.00 C ATOM 1106 C MET A 77 -8.042 -3.428 5.097 1.00 0.00 C ATOM 1107 O MET A 77 -7.992 -4.657 5.118 1.00 0.00 O ATOM 1108 CB MET A 77 -5.953 -2.329 5.919 1.00 0.00 C ATOM 1109 CG MET A 77 -4.465 -2.407 5.575 1.00 0.00 C ATOM 1110 SD MET A 77 -4.059 -4.042 4.986 1.00 0.00 S ATOM 1111 CE MET A 77 -2.718 -3.648 3.876 1.00 0.00 C ATOM 0 H MET A 77 -6.714 -0.531 4.427 1.00 0.00 H new ATOM 0 HA MET A 77 -6.248 -3.181 3.955 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.187 -1.341 6.315 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.187 -3.050 6.702 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.220 -1.666 4.814 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.867 -2.170 6.455 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.944 -4.412 3.955 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.091 -3.614 2.852 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.299 -2.678 4.142 1.00 0.00 H new ATOM 1121 N LYS A 78 -9.113 -2.715 5.412 1.00 0.00 N ATOM 1122 CA LYS A 78 -10.349 -3.362 5.820 1.00 0.00 C ATOM 1123 C LYS A 78 -11.159 -3.733 4.577 1.00 0.00 C ATOM 1124 O LYS A 78 -11.857 -4.746 4.566 1.00 0.00 O ATOM 1125 CB LYS A 78 -11.112 -2.481 6.812 1.00 0.00 C ATOM 1126 CG LYS A 78 -12.622 -2.587 6.589 1.00 0.00 C ATOM 1127 CD LYS A 78 -13.393 -2.088 7.813 1.00 0.00 C ATOM 1128 CE LYS A 78 -13.211 -3.037 9.000 1.00 0.00 C ATOM 1129 NZ LYS A 78 -14.444 -3.087 9.817 1.00 0.00 N ATOM 0 H LYS A 78 -9.151 -1.696 5.393 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.137 -4.290 6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.869 -2.781 7.832 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.796 -1.444 6.701 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.906 -2.003 5.713 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.891 -3.623 6.383 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.047 -1.091 8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -14.452 -2.003 7.570 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.965 -4.036 8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.374 -2.705 9.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.304 -3.735 10.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -14.662 -2.135 10.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.234 -3.426 9.232 1.00 0.00 H new ATOM 1143 N LEU A 79 -11.040 -2.893 3.559 1.00 0.00 N ATOM 1144 CA LEU A 79 -11.754 -3.120 2.314 1.00 0.00 C ATOM 1145 C LEU A 79 -11.121 -4.302 1.577 1.00 0.00 C ATOM 1146 O LEU A 79 -11.768 -4.941 0.750 1.00 0.00 O ATOM 1147 CB LEU A 79 -11.807 -1.835 1.485 1.00 0.00 C ATOM 1148 CG LEU A 79 -13.202 -1.357 1.077 1.00 0.00 C ATOM 1149 CD1 LEU A 79 -13.509 0.015 1.679 1.00 0.00 C ATOM 1150 CD2 LEU A 79 -13.360 -1.364 -0.445 1.00 0.00 C ATOM 0 H LEU A 79 -10.460 -2.054 3.571 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.792 -3.387 2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.324 -1.040 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.217 -1.985 0.581 1.00 0.00 H new ATOM 0 HG LEU A 79 -13.935 -2.056 1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.506 0.331 1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.465 -0.047 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.775 0.739 1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.360 -1.020 -0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.619 -0.701 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.214 -2.376 -0.821 1.00 0.00 H new ATOM 1162 N LEU A 80 -9.862 -4.557 1.905 1.00 0.00 N ATOM 1163 CA LEU A 80 -9.135 -5.651 1.284 1.00 0.00 C ATOM 1164 C LEU A 80 -9.360 -6.931 2.092 1.00 0.00 C ATOM 1165 O LEU A 80 -9.702 -7.971 1.531 1.00 0.00 O ATOM 1166 CB LEU A 80 -7.659 -5.284 1.112 1.00 0.00 C ATOM 1167 CG LEU A 80 -7.270 -4.687 -0.242 1.00 0.00 C ATOM 1168 CD1 LEU A 80 -5.802 -4.257 -0.250 1.00 0.00 C ATOM 1169 CD2 LEU A 80 -7.589 -5.657 -1.381 1.00 0.00 C ATOM 0 H LEU A 80 -9.328 -4.025 2.592 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.513 -5.837 0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.389 -4.572 1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.061 -6.180 1.277 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.869 -3.791 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.551 -3.836 -1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.639 -3.506 0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.168 -5.122 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.303 -5.208 -2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.034 -6.584 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.658 -5.871 -1.388 1.00 0.00 H new ATOM 1181 N LYS A 81 -9.158 -6.812 3.396 1.00 0.00 N ATOM 1182 CA LYS A 81 -9.335 -7.947 4.287 1.00 0.00 C ATOM 1183 C LYS A 81 -10.739 -8.525 4.097 1.00 0.00 C ATOM 1184 O LYS A 81 -10.900 -9.735 3.946 1.00 0.00 O ATOM 1185 CB LYS A 81 -9.025 -7.547 5.731 1.00 0.00 C ATOM 1186 CG LYS A 81 -7.516 -7.543 5.986 1.00 0.00 C ATOM 1187 CD LYS A 81 -7.154 -6.575 7.114 1.00 0.00 C ATOM 1188 CE LYS A 81 -5.687 -6.152 7.024 1.00 0.00 C ATOM 1189 NZ LYS A 81 -4.817 -7.157 7.675 1.00 0.00 N ATOM 0 H LYS A 81 -8.874 -5.948 3.857 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.628 -8.739 4.041 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.435 -6.558 5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.512 -8.240 6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.184 -8.549 6.244 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.990 -7.258 5.075 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.794 -5.694 7.061 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.341 -7.048 8.078 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.399 -6.036 5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.552 -5.182 7.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.824 -6.854 7.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.081 -7.248 8.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.933 -8.076 7.201 1.00 0.00 H new ATOM 1203 N SER A 82 -11.718 -7.633 4.110 1.00 0.00 N ATOM 1204 CA SER A 82 -13.103 -8.039 3.941 1.00 0.00 C ATOM 1205 C SER A 82 -13.221 -9.024 2.775 1.00 0.00 C ATOM 1206 O SER A 82 -13.940 -10.018 2.868 1.00 0.00 O ATOM 1207 CB SER A 82 -14.008 -6.828 3.706 1.00 0.00 C ATOM 1208 OG SER A 82 -15.387 -7.186 3.699 1.00 0.00 O ATOM 0 H SER A 82 -11.580 -6.630 4.235 1.00 0.00 H new ATOM 0 HA SER A 82 -13.430 -8.530 4.858 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.830 -6.086 4.484 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.750 -6.361 2.755 1.00 0.00 H new ATOM 0 HG SER A 82 -15.932 -6.386 3.548 1.00 0.00 H new ATOM 1214 N PHE A 83 -12.504 -8.713 1.705 1.00 0.00 N ATOM 1215 CA PHE A 83 -12.519 -9.558 0.523 1.00 0.00 C ATOM 1216 C PHE A 83 -11.390 -10.589 0.572 1.00 0.00 C ATOM 1217 O PHE A 83 -10.811 -10.930 -0.459 1.00 0.00 O ATOM 1218 CB PHE A 83 -12.306 -8.642 -0.684 1.00 0.00 C ATOM 1219 CG PHE A 83 -13.373 -7.556 -0.837 1.00 0.00 C ATOM 1220 CD1 PHE A 83 -14.689 -7.873 -0.709 1.00 0.00 C ATOM 1221 CD2 PHE A 83 -13.004 -6.274 -1.100 1.00 0.00 C ATOM 1222 CE1 PHE A 83 -15.679 -6.865 -0.851 1.00 0.00 C ATOM 1223 CE2 PHE A 83 -13.994 -5.265 -1.242 1.00 0.00 C ATOM 1224 CZ PHE A 83 -15.311 -5.582 -1.115 1.00 0.00 C ATOM 0 H PHE A 83 -11.909 -7.888 1.632 1.00 0.00 H new ATOM 0 HA PHE A 83 -13.464 -10.097 0.463 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.329 -8.167 -0.599 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.288 -9.249 -1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -14.981 -8.891 -0.499 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -11.958 -6.023 -1.201 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.724 -7.117 -0.749 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.701 -4.247 -1.451 1.00 0.00 H new ATOM 0 HZ PHE A 83 -16.064 -4.816 -1.224 1.00 0.00 H new ATOM 1234 N GLY A 84 -11.111 -11.057 1.779 1.00 0.00 N ATOM 1235 CA GLY A 84 -10.061 -12.043 1.976 1.00 0.00 C ATOM 1236 C GLY A 84 -10.379 -13.339 1.227 1.00 0.00 C ATOM 1237 O GLY A 84 -11.512 -13.815 1.257 1.00 0.00 O ATOM 0 H GLY A 84 -11.594 -10.772 2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.110 -11.641 1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.948 -12.252 3.040 1.00 0.00 H new ATOM 1241 N GLY A 85 -9.357 -13.872 0.573 1.00 0.00 N ATOM 1242 CA GLY A 85 -9.514 -15.104 -0.182 1.00 0.00 C ATOM 1243 C GLY A 85 -10.670 -14.993 -1.178 1.00 0.00 C ATOM 1244 O GLY A 85 -11.291 -15.996 -1.527 1.00 0.00 O ATOM 0 H GLY A 85 -8.418 -13.474 0.550 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.590 -15.328 -0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.697 -15.933 0.502 1.00 0.00 H new ATOM 1248 N GLU A 86 -10.923 -13.766 -1.608 1.00 0.00 N ATOM 1249 CA GLU A 86 -11.993 -13.511 -2.557 1.00 0.00 C ATOM 1250 C GLU A 86 -11.473 -12.686 -3.736 1.00 0.00 C ATOM 1251 O GLU A 86 -10.972 -11.578 -3.549 1.00 0.00 O ATOM 1252 CB GLU A 86 -13.174 -12.814 -1.878 1.00 0.00 C ATOM 1253 CG GLU A 86 -13.833 -13.731 -0.846 1.00 0.00 C ATOM 1254 CD GLU A 86 -15.333 -13.870 -1.114 1.00 0.00 C ATOM 1255 OE1 GLU A 86 -15.677 -14.663 -2.016 1.00 0.00 O ATOM 1256 OE2 GLU A 86 -16.101 -13.179 -0.411 1.00 0.00 O ATOM 0 H GLU A 86 -10.405 -12.937 -1.317 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.349 -14.468 -2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -12.831 -11.901 -1.392 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.907 -12.519 -2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.362 -14.714 -0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.674 -13.331 0.155 1.00 0.00 H new ATOM 1263 N GLU A 87 -11.608 -13.257 -4.923 1.00 0.00 N ATOM 1264 CA GLU A 87 -11.158 -12.588 -6.132 1.00 0.00 C ATOM 1265 C GLU A 87 -11.849 -11.231 -6.276 1.00 0.00 C ATOM 1266 O GLU A 87 -13.074 -11.160 -6.363 1.00 0.00 O ATOM 1267 CB GLU A 87 -11.400 -13.461 -7.365 1.00 0.00 C ATOM 1268 CG GLU A 87 -10.152 -13.522 -8.248 1.00 0.00 C ATOM 1269 CD GLU A 87 -10.048 -14.873 -8.957 1.00 0.00 C ATOM 1270 OE1 GLU A 87 -11.102 -15.346 -9.434 1.00 0.00 O ATOM 1271 OE2 GLU A 87 -8.917 -15.403 -9.007 1.00 0.00 O ATOM 0 H GLU A 87 -12.023 -14.176 -5.074 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.084 -12.420 -6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.679 -14.468 -7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.237 -13.062 -7.939 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.185 -12.721 -8.987 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.263 -13.357 -7.639 1.00 0.00 H new ATOM 1278 N VAL A 88 -11.034 -10.187 -6.297 1.00 0.00 N ATOM 1279 CA VAL A 88 -11.552 -8.836 -6.430 1.00 0.00 C ATOM 1280 C VAL A 88 -10.819 -8.123 -7.568 1.00 0.00 C ATOM 1281 O VAL A 88 -9.876 -8.666 -8.140 1.00 0.00 O ATOM 1282 CB VAL A 88 -11.440 -8.099 -5.093 1.00 0.00 C ATOM 1283 CG1 VAL A 88 -12.007 -8.946 -3.952 1.00 0.00 C ATOM 1284 CG2 VAL A 88 -9.993 -7.694 -4.809 1.00 0.00 C ATOM 0 H VAL A 88 -10.019 -10.249 -6.224 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.611 -8.857 -6.688 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.034 -7.188 -5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.915 -8.400 -3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.058 -9.161 -4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.452 -9.882 -3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.942 -7.172 -3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.367 -8.585 -4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.637 -7.035 -5.601 1.00 0.00 H new ATOM 1294 N GLU A 89 -11.281 -6.916 -7.862 1.00 0.00 N ATOM 1295 CA GLU A 89 -10.682 -6.123 -8.922 1.00 0.00 C ATOM 1296 C GLU A 89 -10.163 -4.796 -8.363 1.00 0.00 C ATOM 1297 O GLU A 89 -10.937 -3.863 -8.151 1.00 0.00 O ATOM 1298 CB GLU A 89 -11.676 -5.887 -10.060 1.00 0.00 C ATOM 1299 CG GLU A 89 -11.090 -6.333 -11.401 1.00 0.00 C ATOM 1300 CD GLU A 89 -12.196 -6.567 -12.433 1.00 0.00 C ATOM 1301 OE1 GLU A 89 -12.690 -7.714 -12.485 1.00 0.00 O ATOM 1302 OE2 GLU A 89 -12.522 -5.594 -13.145 1.00 0.00 O ATOM 0 H GLU A 89 -12.063 -6.468 -7.384 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.838 -6.678 -9.331 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.598 -6.434 -9.862 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.937 -4.830 -10.107 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.398 -5.575 -11.770 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.516 -7.249 -11.264 1.00 0.00 H new ATOM 1309 N MET A 90 -8.858 -4.754 -8.140 1.00 0.00 N ATOM 1310 CA MET A 90 -8.227 -3.557 -7.611 1.00 0.00 C ATOM 1311 C MET A 90 -7.730 -2.653 -8.741 1.00 0.00 C ATOM 1312 O MET A 90 -7.214 -3.137 -9.746 1.00 0.00 O ATOM 1313 CB MET A 90 -7.050 -3.953 -6.718 1.00 0.00 C ATOM 1314 CG MET A 90 -6.367 -2.716 -6.130 1.00 0.00 C ATOM 1315 SD MET A 90 -4.641 -2.698 -6.582 1.00 0.00 S ATOM 1316 CE MET A 90 -4.202 -4.385 -6.196 1.00 0.00 C ATOM 0 H MET A 90 -8.220 -5.530 -8.316 1.00 0.00 H new ATOM 0 HA MET A 90 -8.966 -3.006 -7.030 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.401 -4.597 -5.912 1.00 0.00 H new ATOM 0 HB3 MET A 90 -6.329 -4.531 -7.296 1.00 0.00 H new ATOM 0 HG2 MET A 90 -6.856 -1.813 -6.495 1.00 0.00 H new ATOM 0 HG3 MET A 90 -6.467 -2.717 -5.045 1.00 0.00 H new ATOM 0 HE1 MET A 90 -3.134 -4.444 -5.988 1.00 0.00 H new ATOM 0 HE2 MET A 90 -4.761 -4.715 -5.320 1.00 0.00 H new ATOM 0 HE3 MET A 90 -4.443 -5.027 -7.043 1.00 0.00 H new ATOM 1326 N LYS A 91 -7.905 -1.355 -8.537 1.00 0.00 N ATOM 1327 CA LYS A 91 -7.480 -0.379 -9.526 1.00 0.00 C ATOM 1328 C LYS A 91 -6.341 0.463 -8.949 1.00 0.00 C ATOM 1329 O LYS A 91 -6.382 0.854 -7.784 1.00 0.00 O ATOM 1330 CB LYS A 91 -8.674 0.448 -10.009 1.00 0.00 C ATOM 1331 CG LYS A 91 -9.565 -0.370 -10.946 1.00 0.00 C ATOM 1332 CD LYS A 91 -10.651 -1.110 -10.163 1.00 0.00 C ATOM 1333 CE LYS A 91 -11.842 -1.447 -11.062 1.00 0.00 C ATOM 1334 NZ LYS A 91 -12.925 -2.076 -10.274 1.00 0.00 N ATOM 0 H LYS A 91 -8.335 -0.957 -7.702 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.089 -0.879 -10.412 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.256 0.787 -9.152 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.318 1.339 -10.526 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.027 0.289 -11.681 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.957 -1.087 -11.498 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.239 -2.026 -9.740 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.984 -0.495 -9.327 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.212 -0.540 -11.540 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.525 -2.121 -11.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.607 -2.525 -10.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.521 -2.796 -9.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.409 -1.350 -9.708 1.00 0.00 H new ATOM 1348 N VAL A 92 -5.351 0.718 -9.792 1.00 0.00 N ATOM 1349 CA VAL A 92 -4.202 1.508 -9.380 1.00 0.00 C ATOM 1350 C VAL A 92 -3.861 2.515 -10.480 1.00 0.00 C ATOM 1351 O VAL A 92 -4.183 2.298 -11.647 1.00 0.00 O ATOM 1352 CB VAL A 92 -3.033 0.586 -9.029 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -3.309 -0.182 -7.735 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -2.726 -0.374 -10.181 1.00 0.00 C ATOM 0 H VAL A 92 -5.320 0.392 -10.758 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.432 2.077 -8.479 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.153 1.209 -8.868 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.462 -0.830 -7.509 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.455 0.524 -6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.207 -0.788 -7.856 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.891 -1.018 -9.905 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.604 -0.986 -10.388 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.464 0.198 -11.071 1.00 0.00 H new ATOM 1364 N VAL A 93 -3.212 3.594 -10.068 1.00 0.00 N ATOM 1365 CA VAL A 93 -2.823 4.636 -11.004 1.00 0.00 C ATOM 1366 C VAL A 93 -1.383 5.065 -10.712 1.00 0.00 C ATOM 1367 O VAL A 93 -0.873 4.837 -9.617 1.00 0.00 O ATOM 1368 CB VAL A 93 -3.818 5.796 -10.939 1.00 0.00 C ATOM 1369 CG1 VAL A 93 -5.104 5.458 -11.695 1.00 0.00 C ATOM 1370 CG2 VAL A 93 -4.118 6.180 -9.489 1.00 0.00 C ATOM 0 H VAL A 93 -2.946 3.770 -9.099 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.849 4.261 -12.027 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.361 6.658 -11.425 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.794 6.299 -11.633 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.869 5.257 -12.740 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.566 4.576 -11.251 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.828 7.007 -9.471 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.545 5.324 -8.967 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.195 6.483 -8.995 1.00 0.00 H new ATOM 1380 N SER A 94 -0.769 5.680 -11.713 1.00 0.00 N ATOM 1381 CA SER A 94 0.601 6.144 -11.577 1.00 0.00 C ATOM 1382 C SER A 94 0.621 7.652 -11.323 1.00 0.00 C ATOM 1383 O SER A 94 -0.067 8.410 -12.006 1.00 0.00 O ATOM 1384 CB SER A 94 1.423 5.805 -12.822 1.00 0.00 C ATOM 1385 OG SER A 94 0.895 4.681 -13.521 1.00 0.00 O ATOM 0 H SER A 94 -1.195 5.867 -12.621 1.00 0.00 H new ATOM 0 HA SER A 94 1.052 5.633 -10.726 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.445 6.668 -13.488 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.453 5.600 -12.531 1.00 0.00 H new ATOM 0 HG SER A 94 1.447 4.498 -14.310 1.00 0.00 H new ATOM 1391 N LEU A 95 1.416 8.044 -10.338 1.00 0.00 N ATOM 1392 CA LEU A 95 1.534 9.449 -9.986 1.00 0.00 C ATOM 1393 C LEU A 95 2.658 10.084 -10.806 1.00 0.00 C ATOM 1394 O LEU A 95 3.825 9.734 -10.642 1.00 0.00 O ATOM 1395 CB LEU A 95 1.710 9.609 -8.474 1.00 0.00 C ATOM 1396 CG LEU A 95 2.110 11.004 -7.989 1.00 0.00 C ATOM 1397 CD1 LEU A 95 1.137 12.064 -8.509 1.00 0.00 C ATOM 1398 CD2 LEU A 95 2.236 11.039 -6.465 1.00 0.00 C ATOM 0 H LEU A 95 1.985 7.413 -9.773 1.00 0.00 H new ATOM 0 HA LEU A 95 0.617 9.982 -10.236 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.775 9.331 -7.988 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.466 8.899 -8.139 1.00 0.00 H new ATOM 0 HG LEU A 95 3.092 11.240 -8.398 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.443 13.047 -8.150 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.141 12.058 -9.599 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.132 11.843 -8.149 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.521 12.042 -6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.280 10.773 -6.015 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.997 10.327 -6.146 1.00 0.00 H new ATOM 1410 N LEU A 96 2.266 11.006 -11.673 1.00 0.00 N ATOM 1411 CA LEU A 96 3.226 11.693 -12.520 1.00 0.00 C ATOM 1412 C LEU A 96 3.636 13.009 -11.856 1.00 0.00 C ATOM 1413 O LEU A 96 3.453 13.184 -10.652 1.00 0.00 O ATOM 1414 CB LEU A 96 2.666 11.867 -13.934 1.00 0.00 C ATOM 1415 CG LEU A 96 2.075 10.612 -14.580 1.00 0.00 C ATOM 1416 CD1 LEU A 96 2.821 9.357 -14.122 1.00 0.00 C ATOM 1417 CD2 LEU A 96 0.572 10.514 -14.314 1.00 0.00 C ATOM 0 H LEU A 96 1.297 11.293 -11.807 1.00 0.00 H new ATOM 0 HA LEU A 96 4.131 11.095 -12.631 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.893 12.635 -13.905 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.464 12.241 -14.576 1.00 0.00 H new ATOM 0 HG LEU A 96 2.206 10.689 -15.659 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.381 8.479 -14.596 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.871 9.434 -14.405 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.743 9.262 -13.039 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.177 9.613 -14.784 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.395 10.470 -13.239 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.071 11.389 -14.729 1.00 0.00 H new