USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 558 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 74 SER OG : rot -90:sc= 0.111 USER MOD Set 1.2: A 79 GLN :FLIP amide:sc= 0.495 F(o=-0.36,f=0.61) USER MOD Set 2.1: A 67 CYS SG : rot 110:sc= 1.1 USER MOD Set 2.2: A 70 CYS SG : rot -39:sc= -3.5! USER MOD Set 2.3: A 83 HIS : no HD1:sc= -1.85! C(o=-4.3!,f=-7.7!) USER MOD Set 2.4: A 87 HIS : no HE2:sc= -0.0366 K(o=-4.3,f=-6.4) USER MOD Set 3.1: A 39 CYS SG : rot -152:sc= 0.898 USER MOD Set 3.2: A 42 CYS SG : rot -140:sc= -2.6 USER MOD Set 3.3: A 55 HIS : no HD1:sc= -0.0328 K(o=-3.1,f=-6.2) USER MOD Set 3.4: A 59 HIS : no HD1:sc= -1.33 X(o=-3.1,f=-2.9) USER MOD Set 4.1: A 11 CYS SG : rot 30:sc= -1.08 USER MOD Set 4.2: A 14 CYS SG : rot -51:sc= -0.575 USER MOD Set 4.3: A 27 HIS : no HD1:sc= 0.337 K(o=-2.9,f=-10!) USER MOD Set 4.4: A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.5: A 31 HIS : no HD1:sc= -1.54 K(o=-2.9,f=-5.6) USER MOD Single : A 9 HIS : no HD1:sc= -2.25! C(o=-2.2!,f=-3!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0119) USER MOD Single : A 17 CYS SG : rot 180:sc= 0.0204 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= -0.648 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot -179:sc= 0.0914 USER MOD Single : A 49 SER OG : rot 62:sc= 0.00374 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0588 K(o=-0.059,f=-1.5!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 163:sc= 0.0926 (180deg=0.0424) USER MOD Single : A 68 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.47) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -3.75! C(o=-3.7!,f=-11!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -24:sc= 0.135 USER MOD ----------------------------------------------------------------- ATOM 80 N HIS A 9 2.026 6.089 -4.198 1.00 0.00 N ATOM 81 CA HIS A 9 1.768 4.720 -4.629 1.00 0.00 C ATOM 82 C HIS A 9 1.442 3.827 -3.436 1.00 0.00 C ATOM 83 O HIS A 9 2.282 3.607 -2.563 1.00 0.00 O ATOM 84 CB HIS A 9 2.977 4.163 -5.382 1.00 0.00 C ATOM 85 CG HIS A 9 3.233 4.844 -6.691 1.00 0.00 C ATOM 86 ND1 HIS A 9 2.751 4.369 -7.893 1.00 0.00 N ATOM 87 CD2 HIS A 9 3.923 5.971 -6.983 1.00 0.00 C ATOM 88 CE1 HIS A 9 3.136 5.174 -8.867 1.00 0.00 C ATOM 89 NE2 HIS A 9 3.848 6.155 -8.342 1.00 0.00 N ATOM 0 HA HIS A 9 0.907 4.732 -5.297 1.00 0.00 H new ATOM 0 HB2 HIS A 9 3.862 4.259 -4.753 1.00 0.00 H new ATOM 0 HB3 HIS A 9 2.825 3.098 -5.559 1.00 0.00 H new ATOM 0 HD2 HIS A 9 4.437 6.608 -6.278 1.00 0.00 H new ATOM 0 HE1 HIS A 9 2.907 5.051 -9.915 1.00 0.00 H new ATOM 0 HE2 HIS A 9 4.273 6.924 -8.861 1.00 0.00 H new ATOM 97 N LYS A 10 0.216 3.315 -3.404 1.00 0.00 N ATOM 98 CA LYS A 10 -0.223 2.446 -2.319 1.00 0.00 C ATOM 99 C LYS A 10 -0.373 1.007 -2.801 1.00 0.00 C ATOM 100 O LYS A 10 -0.914 0.756 -3.879 1.00 0.00 O ATOM 101 CB LYS A 10 -1.551 2.943 -1.744 1.00 0.00 C ATOM 102 CG LYS A 10 -2.262 1.917 -0.878 1.00 0.00 C ATOM 103 CD LYS A 10 -3.672 2.363 -0.528 1.00 0.00 C ATOM 104 CE LYS A 10 -3.679 3.299 0.671 1.00 0.00 C ATOM 105 NZ LYS A 10 -5.033 3.864 0.925 1.00 0.00 N ATOM 0 H LYS A 10 -0.492 3.487 -4.118 1.00 0.00 H new ATOM 0 HA LYS A 10 0.536 2.472 -1.537 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.368 3.840 -1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.208 3.230 -2.565 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.301 0.962 -1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.693 1.755 0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.119 2.865 -1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.288 1.490 -0.313 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.339 2.760 1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.972 4.111 0.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.996 4.497 1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.347 4.400 0.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.703 3.090 1.112 1.00 0.00 H new ATOM 119 N CYS A 11 0.107 0.064 -1.997 1.00 0.00 N ATOM 120 CA CYS A 11 0.026 -1.350 -2.341 1.00 0.00 C ATOM 121 C CYS A 11 -1.404 -1.741 -2.700 1.00 0.00 C ATOM 122 O CYS A 11 -2.316 -0.916 -2.645 1.00 0.00 O ATOM 123 CB CYS A 11 0.524 -2.209 -1.177 1.00 0.00 C ATOM 124 SG CYS A 11 1.274 -3.789 -1.686 1.00 0.00 S ATOM 0 H CYS A 11 0.557 0.254 -1.102 1.00 0.00 H new ATOM 0 HA CYS A 11 0.661 -1.524 -3.210 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.257 -1.639 -0.606 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.311 -2.415 -0.508 1.00 0.00 H new ATOM 0 HG CYS A 11 1.816 -3.654 -2.860 1.00 0.00 H new ATOM 129 N GLU A 12 -1.592 -3.004 -3.069 1.00 0.00 N ATOM 130 CA GLU A 12 -2.911 -3.504 -3.438 1.00 0.00 C ATOM 131 C GLU A 12 -3.195 -4.843 -2.762 1.00 0.00 C ATOM 132 O GLU A 12 -4.336 -5.147 -2.417 1.00 0.00 O ATOM 133 CB GLU A 12 -3.018 -3.654 -4.957 1.00 0.00 C ATOM 134 CG GLU A 12 -1.964 -4.572 -5.553 1.00 0.00 C ATOM 135 CD GLU A 12 -2.035 -4.636 -7.066 1.00 0.00 C ATOM 136 OE1 GLU A 12 -3.067 -5.101 -7.593 1.00 0.00 O ATOM 137 OE2 GLU A 12 -1.058 -4.221 -7.724 1.00 0.00 O ATOM 0 H GLU A 12 -0.848 -3.700 -3.120 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.653 -2.781 -3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.007 -4.039 -5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.933 -2.670 -5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.975 -4.226 -5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.088 -5.575 -5.144 1.00 0.00 H new ATOM 144 N VAL A 13 -2.146 -5.639 -2.577 1.00 0.00 N ATOM 145 CA VAL A 13 -2.281 -6.945 -1.943 1.00 0.00 C ATOM 146 C VAL A 13 -2.644 -6.805 -0.469 1.00 0.00 C ATOM 147 O VAL A 13 -3.459 -7.565 0.056 1.00 0.00 O ATOM 148 CB VAL A 13 -0.983 -7.765 -2.065 1.00 0.00 C ATOM 149 CG1 VAL A 13 -0.907 -8.447 -3.422 1.00 0.00 C ATOM 150 CG2 VAL A 13 0.231 -6.876 -1.837 1.00 0.00 C ATOM 0 H VAL A 13 -1.194 -5.402 -2.857 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.083 -7.468 -2.464 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.989 -8.538 -1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.017 -9.021 -3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.760 -9.116 -3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.924 -7.693 -4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.140 -7.471 -1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.244 -6.080 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.180 -6.440 -0.839 1.00 0.00 H new ATOM 160 N CYS A 14 -2.035 -5.829 0.195 1.00 0.00 N ATOM 161 CA CYS A 14 -2.293 -5.588 1.609 1.00 0.00 C ATOM 162 C CYS A 14 -2.919 -4.212 1.822 1.00 0.00 C ATOM 163 O CYS A 14 -3.869 -4.062 2.588 1.00 0.00 O ATOM 164 CB CYS A 14 -0.996 -5.700 2.413 1.00 0.00 C ATOM 165 SG CYS A 14 0.242 -4.426 2.007 1.00 0.00 S ATOM 0 H CYS A 14 -1.358 -5.191 -0.224 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.995 -6.345 1.958 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.233 -5.636 3.475 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.559 -6.684 2.242 1.00 0.00 H new ATOM 0 HG CYS A 14 0.426 -4.394 0.720 1.00 0.00 H new ATOM 170 N GLY A 15 -2.378 -3.210 1.135 1.00 0.00 N ATOM 171 CA GLY A 15 -2.895 -1.860 1.262 1.00 0.00 C ATOM 172 C GLY A 15 -2.030 -0.988 2.150 1.00 0.00 C ATOM 173 O GLY A 15 -2.536 -0.277 3.019 1.00 0.00 O ATOM 0 H GLY A 15 -1.591 -3.309 0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.967 -1.407 0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.905 -1.898 1.669 1.00 0.00 H new ATOM 177 N LYS A 16 -0.720 -1.043 1.935 1.00 0.00 N ATOM 178 CA LYS A 16 0.220 -0.254 2.723 1.00 0.00 C ATOM 179 C LYS A 16 0.552 1.058 2.018 1.00 0.00 C ATOM 180 O LYS A 16 0.361 1.189 0.808 1.00 0.00 O ATOM 181 CB LYS A 16 1.502 -1.050 2.973 1.00 0.00 C ATOM 182 CG LYS A 16 1.375 -2.073 4.088 1.00 0.00 C ATOM 183 CD LYS A 16 1.566 -1.436 5.454 1.00 0.00 C ATOM 184 CE LYS A 16 1.642 -2.485 6.553 1.00 0.00 C ATOM 185 NZ LYS A 16 0.355 -3.220 6.708 1.00 0.00 N ATOM 0 H LYS A 16 -0.285 -1.627 1.221 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.249 -0.024 3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.788 -1.561 2.053 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.308 -0.358 3.217 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.394 -2.545 4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.115 -2.861 3.946 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.479 -0.840 5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.740 -0.754 5.657 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.439 -3.193 6.325 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.902 -2.005 7.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.437 -3.902 7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.408 -2.544 6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.137 -3.727 5.827 1.00 0.00 H new ATOM 199 N CYS A 17 1.051 2.024 2.781 1.00 0.00 N ATOM 200 CA CYS A 17 1.411 3.325 2.229 1.00 0.00 C ATOM 201 C CYS A 17 2.922 3.527 2.254 1.00 0.00 C ATOM 202 O CYS A 17 3.605 3.070 3.170 1.00 0.00 O ATOM 203 CB CYS A 17 0.722 4.443 3.014 1.00 0.00 C ATOM 204 SG CYS A 17 1.084 4.433 4.785 1.00 0.00 S ATOM 0 H CYS A 17 1.215 1.931 3.783 1.00 0.00 H new ATOM 0 HA CYS A 17 1.076 3.358 1.192 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.024 5.404 2.598 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.356 4.360 2.874 1.00 0.00 H new ATOM 0 HG CYS A 17 0.458 5.416 5.361 1.00 0.00 H new ATOM 210 N PHE A 18 3.439 4.213 1.240 1.00 0.00 N ATOM 211 CA PHE A 18 4.870 4.473 1.143 1.00 0.00 C ATOM 212 C PHE A 18 5.134 5.830 0.496 1.00 0.00 C ATOM 213 O PHE A 18 4.427 6.239 -0.424 1.00 0.00 O ATOM 214 CB PHE A 18 5.558 3.369 0.337 1.00 0.00 C ATOM 215 CG PHE A 18 5.367 1.997 0.916 1.00 0.00 C ATOM 216 CD1 PHE A 18 6.007 1.630 2.089 1.00 0.00 C ATOM 217 CD2 PHE A 18 4.546 1.074 0.289 1.00 0.00 C ATOM 218 CE1 PHE A 18 5.834 0.368 2.624 1.00 0.00 C ATOM 219 CE2 PHE A 18 4.368 -0.191 0.819 1.00 0.00 C ATOM 220 CZ PHE A 18 5.012 -0.543 1.988 1.00 0.00 C ATOM 0 H PHE A 18 2.888 4.599 0.474 1.00 0.00 H new ATOM 0 HA PHE A 18 5.280 4.485 2.153 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.173 3.381 -0.683 1.00 0.00 H new ATOM 0 HB3 PHE A 18 6.625 3.584 0.278 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.649 2.339 2.591 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.039 1.346 -0.625 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.340 0.094 3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.727 -0.902 0.319 1.00 0.00 H new ATOM 0 HZ PHE A 18 4.874 -1.529 2.405 1.00 0.00 H new ATOM 230 N SER A 19 6.157 6.523 0.986 1.00 0.00 N ATOM 231 CA SER A 19 6.513 7.836 0.460 1.00 0.00 C ATOM 232 C SER A 19 7.008 7.728 -0.979 1.00 0.00 C ATOM 233 O SER A 19 6.739 8.599 -1.807 1.00 0.00 O ATOM 234 CB SER A 19 7.587 8.485 1.334 1.00 0.00 C ATOM 235 OG SER A 19 8.784 7.727 1.319 1.00 0.00 O ATOM 0 H SER A 19 6.754 6.197 1.746 1.00 0.00 H new ATOM 0 HA SER A 19 5.619 8.460 0.473 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.788 9.495 0.978 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.222 8.574 2.357 1.00 0.00 H new ATOM 0 HG SER A 19 9.455 8.164 1.884 1.00 0.00 H new ATOM 241 N ARG A 20 7.734 6.654 -1.270 1.00 0.00 N ATOM 242 CA ARG A 20 8.269 6.432 -2.608 1.00 0.00 C ATOM 243 C ARG A 20 7.838 5.070 -3.146 1.00 0.00 C ATOM 244 O ARG A 20 7.537 4.154 -2.380 1.00 0.00 O ATOM 245 CB ARG A 20 9.795 6.526 -2.592 1.00 0.00 C ATOM 246 CG ARG A 20 10.319 7.836 -2.025 1.00 0.00 C ATOM 247 CD ARG A 20 11.699 7.665 -1.411 1.00 0.00 C ATOM 248 NE ARG A 20 12.258 8.937 -0.960 1.00 0.00 N ATOM 249 CZ ARG A 20 13.544 9.115 -0.677 1.00 0.00 C ATOM 250 NH1 ARG A 20 14.399 8.109 -0.799 1.00 0.00 N ATOM 251 NH2 ARG A 20 13.977 10.302 -0.272 1.00 0.00 N ATOM 0 H ARG A 20 7.965 5.923 -0.597 1.00 0.00 H new ATOM 0 HA ARG A 20 7.871 7.206 -3.265 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.195 5.700 -2.005 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.169 6.405 -3.609 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.362 8.585 -2.816 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.627 8.209 -1.270 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.638 6.976 -0.568 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.368 7.214 -2.143 1.00 0.00 H new ATOM 0 HE ARG A 20 11.627 9.732 -0.857 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.070 7.195 -1.111 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.386 8.249 -0.581 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.323 11.079 -0.178 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.964 10.438 -0.055 1.00 0.00 H new ATOM 265 N LYS A 21 7.811 4.945 -4.468 1.00 0.00 N ATOM 266 CA LYS A 21 7.418 3.696 -5.111 1.00 0.00 C ATOM 267 C LYS A 21 8.568 2.694 -5.100 1.00 0.00 C ATOM 268 O LYS A 21 8.357 1.491 -5.255 1.00 0.00 O ATOM 269 CB LYS A 21 6.970 3.958 -6.550 1.00 0.00 C ATOM 270 CG LYS A 21 8.016 4.666 -7.394 1.00 0.00 C ATOM 271 CD LYS A 21 7.851 4.347 -8.870 1.00 0.00 C ATOM 272 CE LYS A 21 6.762 5.197 -9.507 1.00 0.00 C ATOM 273 NZ LYS A 21 7.245 6.569 -9.825 1.00 0.00 N ATOM 0 H LYS A 21 8.057 5.693 -5.116 1.00 0.00 H new ATOM 0 HA LYS A 21 6.585 3.273 -4.549 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.717 3.008 -7.021 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.060 4.558 -6.535 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.939 5.743 -7.243 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.012 4.369 -7.066 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.795 4.516 -9.387 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.607 3.292 -8.990 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.412 4.715 -10.420 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.909 5.260 -8.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.474 7.117 -10.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.556 7.039 -8.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.043 6.511 -10.489 1.00 0.00 H new ATOM 287 N ASP A 22 9.784 3.197 -4.916 1.00 0.00 N ATOM 288 CA ASP A 22 10.967 2.345 -4.882 1.00 0.00 C ATOM 289 C ASP A 22 10.871 1.327 -3.750 1.00 0.00 C ATOM 290 O ASP A 22 11.057 0.128 -3.961 1.00 0.00 O ATOM 291 CB ASP A 22 12.228 3.194 -4.716 1.00 0.00 C ATOM 292 CG ASP A 22 12.611 3.919 -5.991 1.00 0.00 C ATOM 293 OD1 ASP A 22 13.244 3.289 -6.864 1.00 0.00 O ATOM 294 OD2 ASP A 22 12.277 5.116 -6.117 1.00 0.00 O ATOM 0 H ASP A 22 9.976 4.191 -4.788 1.00 0.00 H new ATOM 0 HA ASP A 22 11.024 1.806 -5.827 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.070 3.923 -3.921 1.00 0.00 H new ATOM 0 HB3 ASP A 22 13.054 2.555 -4.403 1.00 0.00 H new ATOM 299 N LYS A 23 10.582 1.812 -2.548 1.00 0.00 N ATOM 300 CA LYS A 23 10.461 0.945 -1.381 1.00 0.00 C ATOM 301 C LYS A 23 9.592 -0.269 -1.693 1.00 0.00 C ATOM 302 O LYS A 23 9.902 -1.389 -1.284 1.00 0.00 O ATOM 303 CB LYS A 23 9.868 1.721 -0.203 1.00 0.00 C ATOM 304 CG LYS A 23 10.828 2.726 0.409 1.00 0.00 C ATOM 305 CD LYS A 23 10.474 3.026 1.856 1.00 0.00 C ATOM 306 CE LYS A 23 11.087 4.339 2.319 1.00 0.00 C ATOM 307 NZ LYS A 23 12.538 4.197 2.623 1.00 0.00 N ATOM 0 H LYS A 23 10.427 2.802 -2.356 1.00 0.00 H new ATOM 0 HA LYS A 23 11.458 0.596 -1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.972 2.244 -0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.556 1.015 0.566 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.845 2.338 0.355 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.808 3.649 -0.170 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.390 3.071 1.965 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.825 2.214 2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.950 5.096 1.547 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.563 4.691 3.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.919 5.113 2.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.667 3.493 3.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.043 3.885 1.769 1.00 0.00 H new ATOM 321 N LEU A 24 8.504 -0.041 -2.421 1.00 0.00 N ATOM 322 CA LEU A 24 7.591 -1.118 -2.789 1.00 0.00 C ATOM 323 C LEU A 24 8.344 -2.271 -3.445 1.00 0.00 C ATOM 324 O LEU A 24 7.996 -3.437 -3.263 1.00 0.00 O ATOM 325 CB LEU A 24 6.511 -0.594 -3.738 1.00 0.00 C ATOM 326 CG LEU A 24 5.413 -1.588 -4.119 1.00 0.00 C ATOM 327 CD1 LEU A 24 4.396 -1.717 -2.996 1.00 0.00 C ATOM 328 CD2 LEU A 24 4.733 -1.162 -5.411 1.00 0.00 C ATOM 0 H LEU A 24 8.233 0.879 -2.768 1.00 0.00 H new ATOM 0 HA LEU A 24 7.119 -1.488 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.042 0.276 -3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.995 -0.249 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 24 5.872 -2.564 -4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.623 -2.428 -3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.894 -2.070 -2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.941 -0.745 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.955 -1.881 -5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.287 -0.176 -5.280 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.469 -1.123 -6.214 1.00 0.00 H new ATOM 340 N LYS A 25 9.380 -1.936 -4.207 1.00 0.00 N ATOM 341 CA LYS A 25 10.186 -2.943 -4.887 1.00 0.00 C ATOM 342 C LYS A 25 10.516 -4.100 -3.950 1.00 0.00 C ATOM 343 O LYS A 25 10.485 -5.265 -4.350 1.00 0.00 O ATOM 344 CB LYS A 25 11.479 -2.318 -5.417 1.00 0.00 C ATOM 345 CG LYS A 25 12.554 -2.153 -4.357 1.00 0.00 C ATOM 346 CD LYS A 25 13.622 -1.164 -4.795 1.00 0.00 C ATOM 347 CE LYS A 25 14.741 -1.854 -5.559 1.00 0.00 C ATOM 348 NZ LYS A 25 15.944 -0.985 -5.685 1.00 0.00 N ATOM 0 H LYS A 25 9.681 -0.975 -4.369 1.00 0.00 H new ATOM 0 HA LYS A 25 9.606 -3.331 -5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.868 -2.939 -6.224 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.252 -1.342 -5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.100 -1.811 -3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.014 -3.119 -4.151 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.172 -0.395 -5.423 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.034 -0.661 -3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.012 -2.778 -5.049 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.386 -2.130 -6.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 16.684 -1.491 -6.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.691 -0.114 -6.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.298 -0.742 -4.738 1.00 0.00 H new ATOM 362 N THR A 26 10.831 -3.773 -2.701 1.00 0.00 N ATOM 363 CA THR A 26 11.166 -4.786 -1.707 1.00 0.00 C ATOM 364 C THR A 26 9.933 -5.211 -0.919 1.00 0.00 C ATOM 365 O THR A 26 9.800 -6.373 -0.533 1.00 0.00 O ATOM 366 CB THR A 26 12.238 -4.276 -0.726 1.00 0.00 C ATOM 367 OG1 THR A 26 13.388 -3.823 -1.449 1.00 0.00 O ATOM 368 CG2 THR A 26 12.645 -5.372 0.248 1.00 0.00 C ATOM 0 H THR A 26 10.861 -2.815 -2.353 1.00 0.00 H new ATOM 0 HA THR A 26 11.560 -5.645 -2.250 1.00 0.00 H new ATOM 0 HB THR A 26 11.815 -3.446 -0.160 1.00 0.00 H new ATOM 0 HG1 THR A 26 14.064 -3.499 -0.818 1.00 0.00 H new ATOM 0 HG21 THR A 26 13.403 -4.989 0.931 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.773 -5.695 0.817 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.051 -6.219 -0.306 1.00 0.00 H new ATOM 376 N HIS A 27 9.031 -4.264 -0.682 1.00 0.00 N ATOM 377 CA HIS A 27 7.806 -4.542 0.060 1.00 0.00 C ATOM 378 C HIS A 27 7.176 -5.851 -0.403 1.00 0.00 C ATOM 379 O HIS A 27 6.536 -6.554 0.379 1.00 0.00 O ATOM 380 CB HIS A 27 6.810 -3.394 -0.110 1.00 0.00 C ATOM 381 CG HIS A 27 5.512 -3.617 0.604 1.00 0.00 C ATOM 382 ND1 HIS A 27 5.422 -3.768 1.971 1.00 0.00 N ATOM 383 CD2 HIS A 27 4.248 -3.713 0.131 1.00 0.00 C ATOM 384 CE1 HIS A 27 4.157 -3.948 2.309 1.00 0.00 C ATOM 385 NE2 HIS A 27 3.424 -3.919 1.211 1.00 0.00 N ATOM 0 H HIS A 27 9.125 -3.297 -0.993 1.00 0.00 H new ATOM 0 HA HIS A 27 8.063 -4.636 1.115 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.263 -2.473 0.257 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.611 -3.251 -1.172 1.00 0.00 H new ATOM 0 HD2 HIS A 27 3.944 -3.641 -0.903 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.786 -4.094 3.313 1.00 0.00 H new ATOM 0 HE2 HIS A 27 2.411 -4.031 1.171 1.00 0.00 H new ATOM 393 N MET A 28 7.361 -6.173 -1.679 1.00 0.00 N ATOM 394 CA MET A 28 6.810 -7.398 -2.246 1.00 0.00 C ATOM 395 C MET A 28 7.441 -8.627 -1.600 1.00 0.00 C ATOM 396 O MET A 28 6.762 -9.622 -1.342 1.00 0.00 O ATOM 397 CB MET A 28 7.034 -7.431 -3.759 1.00 0.00 C ATOM 398 CG MET A 28 6.218 -6.397 -4.517 1.00 0.00 C ATOM 399 SD MET A 28 4.522 -6.931 -4.814 1.00 0.00 S ATOM 400 CE MET A 28 3.607 -5.611 -4.020 1.00 0.00 C ATOM 0 H MET A 28 7.888 -5.602 -2.340 1.00 0.00 H new ATOM 0 HA MET A 28 5.739 -7.413 -2.044 1.00 0.00 H new ATOM 0 HB2 MET A 28 8.092 -7.269 -3.965 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.785 -8.424 -4.133 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.207 -5.464 -3.953 1.00 0.00 H new ATOM 0 HG3 MET A 28 6.701 -6.187 -5.471 1.00 0.00 H new ATOM 0 HE1 MET A 28 2.538 -5.799 -4.119 1.00 0.00 H new ATOM 0 HE2 MET A 28 3.872 -5.569 -2.964 1.00 0.00 H new ATOM 0 HE3 MET A 28 3.854 -4.661 -4.494 1.00 0.00 H new ATOM 410 N ARG A 29 8.742 -8.552 -1.341 1.00 0.00 N ATOM 411 CA ARG A 29 9.464 -9.660 -0.727 1.00 0.00 C ATOM 412 C ARG A 29 8.649 -10.280 0.404 1.00 0.00 C ATOM 413 O ARG A 29 8.430 -11.491 0.433 1.00 0.00 O ATOM 414 CB ARG A 29 10.816 -9.181 -0.192 1.00 0.00 C ATOM 415 CG ARG A 29 11.854 -8.954 -1.279 1.00 0.00 C ATOM 416 CD ARG A 29 13.265 -8.958 -0.711 1.00 0.00 C ATOM 417 NE ARG A 29 14.255 -9.357 -1.708 1.00 0.00 N ATOM 418 CZ ARG A 29 15.545 -9.517 -1.438 1.00 0.00 C ATOM 419 NH1 ARG A 29 16.000 -9.315 -0.209 1.00 0.00 N ATOM 420 NH2 ARG A 29 16.385 -9.882 -2.399 1.00 0.00 N ATOM 0 H ARG A 29 9.318 -7.736 -1.547 1.00 0.00 H new ATOM 0 HA ARG A 29 9.631 -10.420 -1.491 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.671 -8.252 0.360 1.00 0.00 H new ATOM 0 HB3 ARG A 29 11.198 -9.916 0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.764 -9.731 -2.038 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.662 -8.002 -1.774 1.00 0.00 H new ATOM 0 HD2 ARG A 29 13.508 -7.964 -0.337 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.312 -9.639 0.139 1.00 0.00 H new ATOM 0 HE ARG A 29 13.938 -9.522 -2.663 1.00 0.00 H new ATOM 0 HH11 ARG A 29 15.358 -9.036 0.533 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.992 -9.439 -0.006 1.00 0.00 H new ATOM 0 HH21 ARG A 29 16.039 -10.040 -3.346 1.00 0.00 H new ATOM 0 HH22 ARG A 29 17.376 -10.005 -2.191 1.00 0.00 H new ATOM 434 N CYS A 30 8.202 -9.441 1.333 1.00 0.00 N ATOM 435 CA CYS A 30 7.412 -9.907 2.467 1.00 0.00 C ATOM 436 C CYS A 30 6.250 -10.778 1.999 1.00 0.00 C ATOM 437 O CYS A 30 6.121 -11.932 2.409 1.00 0.00 O ATOM 438 CB CYS A 30 6.883 -8.717 3.269 1.00 0.00 C ATOM 439 SG CYS A 30 8.149 -7.849 4.225 1.00 0.00 S ATOM 0 H CYS A 30 8.373 -8.436 1.323 1.00 0.00 H new ATOM 0 HA CYS A 30 8.058 -10.508 3.106 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.413 -8.011 2.584 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.106 -9.067 3.949 1.00 0.00 H new ATOM 0 HG CYS A 30 7.605 -6.858 4.867 1.00 0.00 H new ATOM 445 N HIS A 31 5.406 -10.217 1.140 1.00 0.00 N ATOM 446 CA HIS A 31 4.253 -10.942 0.617 1.00 0.00 C ATOM 447 C HIS A 31 4.670 -12.305 0.074 1.00 0.00 C ATOM 448 O HIS A 31 5.795 -12.482 -0.396 1.00 0.00 O ATOM 449 CB HIS A 31 3.569 -10.129 -0.483 1.00 0.00 C ATOM 450 CG HIS A 31 3.081 -8.790 -0.023 1.00 0.00 C ATOM 451 ND1 HIS A 31 2.367 -8.609 1.143 1.00 0.00 N ATOM 452 CD2 HIS A 31 3.210 -7.562 -0.578 1.00 0.00 C ATOM 453 CE1 HIS A 31 2.076 -7.328 1.284 1.00 0.00 C ATOM 454 NE2 HIS A 31 2.577 -6.671 0.253 1.00 0.00 N ATOM 0 H HIS A 31 5.498 -9.263 0.791 1.00 0.00 H new ATOM 0 HA HIS A 31 3.549 -11.096 1.435 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.268 -9.988 -1.307 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.726 -10.699 -0.874 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.717 -7.327 -1.502 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.523 -6.892 2.103 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.505 -5.665 0.099 1.00 0.00 H new ATOM 535 N TYR A 37 -1.616 -24.550 -6.333 1.00 0.00 N ATOM 536 CA TYR A 37 -3.018 -24.909 -6.514 1.00 0.00 C ATOM 537 C TYR A 37 -3.814 -23.733 -7.070 1.00 0.00 C ATOM 538 O TYR A 37 -4.391 -22.946 -6.319 1.00 0.00 O ATOM 539 CB TYR A 37 -3.624 -25.367 -5.186 1.00 0.00 C ATOM 540 CG TYR A 37 -2.861 -26.495 -4.529 1.00 0.00 C ATOM 541 CD1 TYR A 37 -2.862 -27.771 -5.077 1.00 0.00 C ATOM 542 CD2 TYR A 37 -2.141 -26.284 -3.360 1.00 0.00 C ATOM 543 CE1 TYR A 37 -2.167 -28.806 -4.480 1.00 0.00 C ATOM 544 CE2 TYR A 37 -1.442 -27.312 -2.757 1.00 0.00 C ATOM 545 CZ TYR A 37 -1.458 -28.571 -3.320 1.00 0.00 C ATOM 546 OH TYR A 37 -0.764 -29.597 -2.722 1.00 0.00 O ATOM 0 HA TYR A 37 -3.067 -25.729 -7.231 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.662 -24.519 -4.502 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.652 -25.686 -5.356 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.415 -27.958 -5.985 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.127 -25.300 -2.915 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.179 -29.793 -4.919 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.886 -27.131 -1.849 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.318 -29.264 -1.915 1.00 0.00 H new ATOM 556 N LYS A 38 -3.842 -23.620 -8.394 1.00 0.00 N ATOM 557 CA LYS A 38 -4.569 -22.542 -9.055 1.00 0.00 C ATOM 558 C LYS A 38 -5.492 -23.092 -10.137 1.00 0.00 C ATOM 559 O LYS A 38 -5.035 -23.671 -11.123 1.00 0.00 O ATOM 560 CB LYS A 38 -3.588 -21.540 -9.668 1.00 0.00 C ATOM 561 CG LYS A 38 -2.981 -20.585 -8.655 1.00 0.00 C ATOM 562 CD LYS A 38 -2.643 -19.244 -9.285 1.00 0.00 C ATOM 563 CE LYS A 38 -1.268 -19.265 -9.935 1.00 0.00 C ATOM 564 NZ LYS A 38 -1.337 -19.685 -11.362 1.00 0.00 N ATOM 0 H LYS A 38 -3.370 -24.262 -9.031 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.178 -22.035 -8.306 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.787 -22.087 -10.165 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.104 -20.963 -10.435 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.679 -20.435 -7.831 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.079 -21.027 -8.232 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.396 -18.991 -10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.675 -18.465 -8.524 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.820 -18.274 -9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.617 -19.946 -9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.380 -19.687 -11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.741 -20.641 -11.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.938 -19.021 -11.891 1.00 0.00 H new ATOM 578 N CYS A 39 -6.794 -22.907 -9.948 1.00 0.00 N ATOM 579 CA CYS A 39 -7.783 -23.384 -10.907 1.00 0.00 C ATOM 580 C CYS A 39 -7.426 -22.939 -12.323 1.00 0.00 C ATOM 581 O CYS A 39 -6.634 -22.016 -12.514 1.00 0.00 O ATOM 582 CB CYS A 39 -9.175 -22.869 -10.535 1.00 0.00 C ATOM 583 SG CYS A 39 -10.487 -23.368 -11.697 1.00 0.00 S ATOM 0 H CYS A 39 -7.189 -22.429 -9.138 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.786 -24.474 -10.877 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.430 -23.230 -9.539 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -9.146 -21.781 -10.482 1.00 0.00 H new ATOM 0 HG CYS A 39 -11.440 -22.484 -11.681 1.00 0.00 H new ATOM 588 N LYS A 40 -8.015 -23.601 -13.312 1.00 0.00 N ATOM 589 CA LYS A 40 -7.762 -23.275 -14.710 1.00 0.00 C ATOM 590 C LYS A 40 -8.623 -22.099 -15.159 1.00 0.00 C ATOM 591 O LYS A 40 -8.122 -20.995 -15.376 1.00 0.00 O ATOM 592 CB LYS A 40 -8.038 -24.491 -15.597 1.00 0.00 C ATOM 593 CG LYS A 40 -6.932 -25.531 -15.565 1.00 0.00 C ATOM 594 CD LYS A 40 -7.100 -26.559 -16.671 1.00 0.00 C ATOM 595 CE LYS A 40 -6.579 -26.037 -18.002 1.00 0.00 C ATOM 596 NZ LYS A 40 -6.804 -27.010 -19.106 1.00 0.00 N ATOM 0 H LYS A 40 -8.672 -24.368 -13.171 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.714 -22.993 -14.807 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.972 -24.956 -15.281 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.180 -24.156 -16.624 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.965 -25.038 -15.669 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.932 -26.033 -14.598 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.568 -27.472 -16.404 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.154 -26.821 -16.769 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.073 -25.096 -18.241 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.513 -25.825 -17.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.435 -26.617 -19.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.311 -27.900 -18.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.823 -27.193 -19.205 1.00 0.00 H new ATOM 610 N THR A 41 -9.923 -22.341 -15.295 1.00 0.00 N ATOM 611 CA THR A 41 -10.854 -21.302 -15.717 1.00 0.00 C ATOM 612 C THR A 41 -10.799 -20.101 -14.781 1.00 0.00 C ATOM 613 O THR A 41 -10.837 -18.953 -15.225 1.00 0.00 O ATOM 614 CB THR A 41 -12.300 -21.831 -15.770 1.00 0.00 C ATOM 615 OG1 THR A 41 -13.076 -21.046 -16.682 1.00 0.00 O ATOM 616 CG2 THR A 41 -12.940 -21.796 -14.390 1.00 0.00 C ATOM 0 H THR A 41 -10.355 -23.248 -15.119 1.00 0.00 H new ATOM 0 HA THR A 41 -10.551 -20.994 -16.717 1.00 0.00 H new ATOM 0 HB THR A 41 -12.273 -22.865 -16.114 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.993 -21.390 -16.711 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.960 -22.174 -14.452 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.364 -22.419 -13.706 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.955 -20.770 -14.022 1.00 0.00 H new ATOM 624 N CYS A 42 -10.707 -20.371 -13.484 1.00 0.00 N ATOM 625 CA CYS A 42 -10.646 -19.312 -12.484 1.00 0.00 C ATOM 626 C CYS A 42 -9.201 -18.895 -12.221 1.00 0.00 C ATOM 627 O CYS A 42 -8.270 -19.437 -12.816 1.00 0.00 O ATOM 628 CB CYS A 42 -11.300 -19.774 -11.180 1.00 0.00 C ATOM 629 SG CYS A 42 -12.864 -20.678 -11.413 1.00 0.00 S ATOM 0 H CYS A 42 -10.673 -21.315 -13.100 1.00 0.00 H new ATOM 0 HA CYS A 42 -11.190 -18.450 -12.870 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.600 -20.413 -10.641 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -11.486 -18.904 -10.551 1.00 0.00 H new ATOM 0 HG CYS A 42 -13.713 -20.319 -10.497 1.00 0.00 H new ATOM 634 N ASP A 43 -9.024 -17.929 -11.326 1.00 0.00 N ATOM 635 CA ASP A 43 -7.694 -17.440 -10.982 1.00 0.00 C ATOM 636 C ASP A 43 -7.432 -17.582 -9.486 1.00 0.00 C ATOM 637 O ASP A 43 -6.403 -17.134 -8.981 1.00 0.00 O ATOM 638 CB ASP A 43 -7.540 -15.978 -11.404 1.00 0.00 C ATOM 639 CG ASP A 43 -6.111 -15.487 -11.281 1.00 0.00 C ATOM 640 OD1 ASP A 43 -5.187 -16.325 -11.352 1.00 0.00 O ATOM 641 OD2 ASP A 43 -5.916 -14.265 -11.115 1.00 0.00 O ATOM 0 H ASP A 43 -9.785 -17.469 -10.826 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.962 -18.044 -11.519 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.873 -15.864 -12.436 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.189 -15.355 -10.789 1.00 0.00 H new ATOM 646 N TYR A 44 -8.371 -18.205 -8.783 1.00 0.00 N ATOM 647 CA TYR A 44 -8.244 -18.402 -7.344 1.00 0.00 C ATOM 648 C TYR A 44 -6.915 -19.067 -7.001 1.00 0.00 C ATOM 649 O TYR A 44 -6.466 -19.978 -7.695 1.00 0.00 O ATOM 650 CB TYR A 44 -9.403 -19.253 -6.821 1.00 0.00 C ATOM 651 CG TYR A 44 -9.177 -19.791 -5.426 1.00 0.00 C ATOM 652 CD1 TYR A 44 -8.707 -18.968 -4.410 1.00 0.00 C ATOM 653 CD2 TYR A 44 -9.434 -21.123 -5.123 1.00 0.00 C ATOM 654 CE1 TYR A 44 -8.498 -19.455 -3.134 1.00 0.00 C ATOM 655 CE2 TYR A 44 -9.230 -21.618 -3.850 1.00 0.00 C ATOM 656 CZ TYR A 44 -8.761 -20.781 -2.859 1.00 0.00 C ATOM 657 OH TYR A 44 -8.556 -21.270 -1.590 1.00 0.00 O ATOM 0 H TYR A 44 -9.229 -18.582 -9.186 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.275 -17.424 -6.864 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.314 -18.655 -6.828 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.566 -20.089 -7.502 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.501 -17.929 -4.621 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -9.800 -21.782 -5.896 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.131 -18.801 -2.357 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.437 -22.655 -3.631 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.775 -22.225 -1.568 1.00 0.00 H new ATOM 667 N ALA A 45 -6.290 -18.603 -5.923 1.00 0.00 N ATOM 668 CA ALA A 45 -5.013 -19.153 -5.484 1.00 0.00 C ATOM 669 C ALA A 45 -5.115 -19.715 -4.070 1.00 0.00 C ATOM 670 O ALA A 45 -5.474 -19.003 -3.134 1.00 0.00 O ATOM 671 CB ALA A 45 -3.928 -18.089 -5.555 1.00 0.00 C ATOM 0 H ALA A 45 -6.647 -17.848 -5.338 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.748 -19.971 -6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.980 -18.513 -5.224 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.830 -17.738 -6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.196 -17.253 -4.909 1.00 0.00 H new ATOM 677 N ALA A 46 -4.796 -20.997 -3.924 1.00 0.00 N ATOM 678 CA ALA A 46 -4.850 -21.654 -2.624 1.00 0.00 C ATOM 679 C ALA A 46 -3.461 -22.090 -2.171 1.00 0.00 C ATOM 680 O ALA A 46 -2.597 -22.394 -2.993 1.00 0.00 O ATOM 681 CB ALA A 46 -5.790 -22.849 -2.676 1.00 0.00 C ATOM 0 H ALA A 46 -4.498 -21.601 -4.690 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.231 -20.937 -1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.821 -23.330 -1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.791 -22.513 -2.947 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.433 -23.561 -3.420 1.00 0.00 H new ATOM 687 N ALA A 47 -3.253 -22.119 -0.859 1.00 0.00 N ATOM 688 CA ALA A 47 -1.969 -22.520 -0.298 1.00 0.00 C ATOM 689 C ALA A 47 -2.037 -23.931 0.276 1.00 0.00 C ATOM 690 O ALA A 47 -1.373 -24.242 1.265 1.00 0.00 O ATOM 691 CB ALA A 47 -1.531 -21.533 0.775 1.00 0.00 C ATOM 0 H ALA A 47 -3.957 -21.870 -0.165 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.233 -22.518 -1.102 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.571 -21.844 1.186 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.434 -20.539 0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.275 -21.507 1.571 1.00 0.00 H new ATOM 697 N ASP A 48 -2.843 -24.781 -0.351 1.00 0.00 N ATOM 698 CA ASP A 48 -2.998 -26.160 0.097 1.00 0.00 C ATOM 699 C ASP A 48 -3.842 -26.961 -0.890 1.00 0.00 C ATOM 700 O ASP A 48 -4.751 -26.424 -1.522 1.00 0.00 O ATOM 701 CB ASP A 48 -3.639 -26.199 1.485 1.00 0.00 C ATOM 702 CG ASP A 48 -2.620 -26.057 2.599 1.00 0.00 C ATOM 703 OD1 ASP A 48 -1.644 -26.835 2.611 1.00 0.00 O ATOM 704 OD2 ASP A 48 -2.799 -25.168 3.457 1.00 0.00 O ATOM 0 H ASP A 48 -3.399 -24.539 -1.171 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.008 -26.612 0.150 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.374 -25.398 1.565 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.177 -27.139 1.607 1.00 0.00 H new ATOM 709 N SER A 49 -3.533 -28.248 -1.016 1.00 0.00 N ATOM 710 CA SER A 49 -4.260 -29.122 -1.929 1.00 0.00 C ATOM 711 C SER A 49 -5.754 -29.109 -1.620 1.00 0.00 C ATOM 712 O SER A 49 -6.585 -29.016 -2.523 1.00 0.00 O ATOM 713 CB SER A 49 -3.721 -30.550 -1.839 1.00 0.00 C ATOM 714 OG SER A 49 -4.112 -31.315 -2.966 1.00 0.00 O ATOM 0 H SER A 49 -2.785 -28.708 -0.498 1.00 0.00 H new ATOM 0 HA SER A 49 -4.114 -28.750 -2.943 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.633 -30.528 -1.770 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.088 -31.024 -0.929 1.00 0.00 H new ATOM 0 HG SER A 49 -3.734 -30.918 -3.778 1.00 0.00 H new ATOM 720 N SER A 50 -6.087 -29.204 -0.337 1.00 0.00 N ATOM 721 CA SER A 50 -7.481 -29.207 0.093 1.00 0.00 C ATOM 722 C SER A 50 -8.118 -27.838 -0.120 1.00 0.00 C ATOM 723 O SER A 50 -9.281 -27.736 -0.509 1.00 0.00 O ATOM 724 CB SER A 50 -7.581 -29.606 1.567 1.00 0.00 C ATOM 725 OG SER A 50 -6.816 -28.736 2.383 1.00 0.00 O ATOM 0 H SER A 50 -5.411 -29.280 0.423 1.00 0.00 H new ATOM 0 HA SER A 50 -8.021 -29.937 -0.511 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.624 -29.583 1.883 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.231 -30.631 1.694 1.00 0.00 H new ATOM 0 HG SER A 50 -6.897 -29.011 3.320 1.00 0.00 H new ATOM 731 N SER A 51 -7.347 -26.786 0.140 1.00 0.00 N ATOM 732 CA SER A 51 -7.836 -25.422 -0.019 1.00 0.00 C ATOM 733 C SER A 51 -8.441 -25.219 -1.405 1.00 0.00 C ATOM 734 O SER A 51 -9.334 -24.391 -1.591 1.00 0.00 O ATOM 735 CB SER A 51 -6.701 -24.421 0.206 1.00 0.00 C ATOM 736 OG SER A 51 -6.594 -24.071 1.575 1.00 0.00 O ATOM 0 H SER A 51 -6.381 -26.853 0.462 1.00 0.00 H new ATOM 0 HA SER A 51 -8.614 -25.252 0.726 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.760 -24.850 -0.138 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.879 -23.525 -0.389 1.00 0.00 H new ATOM 0 HG SER A 51 -5.861 -23.432 1.693 1.00 0.00 H new ATOM 742 N LEU A 52 -7.948 -25.981 -2.375 1.00 0.00 N ATOM 743 CA LEU A 52 -8.439 -25.887 -3.746 1.00 0.00 C ATOM 744 C LEU A 52 -9.634 -26.809 -3.961 1.00 0.00 C ATOM 745 O LEU A 52 -10.614 -26.432 -4.602 1.00 0.00 O ATOM 746 CB LEU A 52 -7.324 -26.238 -4.733 1.00 0.00 C ATOM 747 CG LEU A 52 -7.616 -25.949 -6.206 1.00 0.00 C ATOM 748 CD1 LEU A 52 -7.429 -24.470 -6.506 1.00 0.00 C ATOM 749 CD2 LEU A 52 -6.722 -26.794 -7.102 1.00 0.00 C ATOM 0 H LEU A 52 -7.209 -26.671 -2.238 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.761 -24.860 -3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.427 -25.689 -4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.095 -27.299 -4.630 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.654 -26.212 -6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.641 -24.283 -7.559 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.110 -23.885 -5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.401 -24.181 -6.286 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.943 -26.576 -8.147 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.677 -26.562 -6.896 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.905 -27.851 -6.906 1.00 0.00 H new ATOM 761 N ASN A 53 -9.545 -28.020 -3.420 1.00 0.00 N ATOM 762 CA ASN A 53 -10.621 -28.997 -3.552 1.00 0.00 C ATOM 763 C ASN A 53 -11.959 -28.392 -3.137 1.00 0.00 C ATOM 764 O ASN A 53 -13.017 -28.833 -3.585 1.00 0.00 O ATOM 765 CB ASN A 53 -10.322 -30.233 -2.701 1.00 0.00 C ATOM 766 CG ASN A 53 -9.292 -31.142 -3.344 1.00 0.00 C ATOM 767 OD1 ASN A 53 -9.150 -31.171 -4.566 1.00 0.00 O ATOM 768 ND2 ASN A 53 -8.567 -31.890 -2.520 1.00 0.00 N ATOM 0 H ASN A 53 -8.740 -28.348 -2.887 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.685 -29.291 -4.600 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.963 -29.918 -1.721 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -11.244 -30.791 -2.539 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.858 -32.521 -2.894 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.719 -31.833 -1.513 1.00 0.00 H new ATOM 775 N LYS A 54 -11.903 -27.378 -2.280 1.00 0.00 N ATOM 776 CA LYS A 54 -13.109 -26.710 -1.806 1.00 0.00 C ATOM 777 C LYS A 54 -13.632 -25.726 -2.848 1.00 0.00 C ATOM 778 O LYS A 54 -14.827 -25.435 -2.897 1.00 0.00 O ATOM 779 CB LYS A 54 -12.828 -25.976 -0.492 1.00 0.00 C ATOM 780 CG LYS A 54 -14.068 -25.746 0.353 1.00 0.00 C ATOM 781 CD LYS A 54 -13.787 -24.799 1.508 1.00 0.00 C ATOM 782 CE LYS A 54 -13.677 -23.358 1.033 1.00 0.00 C ATOM 783 NZ LYS A 54 -15.006 -22.689 0.978 1.00 0.00 N ATOM 0 H LYS A 54 -11.035 -27.001 -1.900 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.871 -27.470 -1.635 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.105 -26.550 0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -12.367 -25.014 -0.714 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -14.863 -25.336 -0.270 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.427 -26.699 0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -14.583 -24.880 2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.861 -25.092 2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.019 -22.804 1.703 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.218 -23.335 0.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.888 -21.709 0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.626 -23.202 0.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.433 -22.687 1.926 1.00 0.00 H new ATOM 797 N HIS A 55 -12.729 -25.218 -3.680 1.00 0.00 N ATOM 798 CA HIS A 55 -13.100 -24.268 -4.723 1.00 0.00 C ATOM 799 C HIS A 55 -13.796 -24.977 -5.881 1.00 0.00 C ATOM 800 O HIS A 55 -14.620 -24.386 -6.580 1.00 0.00 O ATOM 801 CB HIS A 55 -11.862 -23.528 -5.233 1.00 0.00 C ATOM 802 CG HIS A 55 -12.034 -22.945 -6.601 1.00 0.00 C ATOM 803 ND1 HIS A 55 -12.754 -21.794 -6.844 1.00 0.00 N ATOM 804 CD2 HIS A 55 -11.573 -23.359 -7.805 1.00 0.00 C ATOM 805 CE1 HIS A 55 -12.730 -21.526 -8.137 1.00 0.00 C ATOM 806 NE2 HIS A 55 -12.019 -22.460 -8.743 1.00 0.00 N ATOM 0 H HIS A 55 -11.736 -25.448 -3.653 1.00 0.00 H new ATOM 0 HA HIS A 55 -13.794 -23.546 -4.292 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -11.614 -22.729 -4.535 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -11.017 -24.216 -5.244 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -10.967 -24.233 -7.993 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -13.210 -20.686 -8.617 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -11.832 -22.506 -9.745 1.00 0.00 H new ATOM 814 N LEU A 56 -13.458 -26.246 -6.080 1.00 0.00 N ATOM 815 CA LEU A 56 -14.050 -27.036 -7.154 1.00 0.00 C ATOM 816 C LEU A 56 -15.514 -27.344 -6.861 1.00 0.00 C ATOM 817 O LEU A 56 -16.288 -27.654 -7.767 1.00 0.00 O ATOM 818 CB LEU A 56 -13.271 -28.339 -7.344 1.00 0.00 C ATOM 819 CG LEU A 56 -11.777 -28.192 -7.632 1.00 0.00 C ATOM 820 CD1 LEU A 56 -11.140 -29.555 -7.858 1.00 0.00 C ATOM 821 CD2 LEU A 56 -11.551 -27.290 -8.836 1.00 0.00 C ATOM 0 H LEU A 56 -12.777 -26.750 -5.512 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.998 -26.451 -8.072 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -13.389 -28.944 -6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -13.726 -28.894 -8.164 1.00 0.00 H new ATOM 0 HG LEU A 56 -11.304 -27.731 -6.765 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.076 -29.430 -8.062 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.269 -30.169 -6.967 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.617 -30.043 -8.708 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.482 -27.197 -9.026 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.038 -27.721 -9.710 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.971 -26.304 -8.636 1.00 0.00 H new ATOM 833 N ARG A 57 -15.889 -27.253 -5.589 1.00 0.00 N ATOM 834 CA ARG A 57 -17.262 -27.521 -5.176 1.00 0.00 C ATOM 835 C ARG A 57 -18.183 -26.372 -5.575 1.00 0.00 C ATOM 836 O ARG A 57 -19.394 -26.552 -5.708 1.00 0.00 O ATOM 837 CB ARG A 57 -17.328 -27.740 -3.663 1.00 0.00 C ATOM 838 CG ARG A 57 -16.663 -29.028 -3.205 1.00 0.00 C ATOM 839 CD ARG A 57 -16.627 -29.127 -1.688 1.00 0.00 C ATOM 840 NE ARG A 57 -17.911 -29.550 -1.136 1.00 0.00 N ATOM 841 CZ ARG A 57 -18.278 -29.333 0.122 1.00 0.00 C ATOM 842 NH1 ARG A 57 -17.462 -28.701 0.954 1.00 0.00 N ATOM 843 NH2 ARG A 57 -19.463 -29.749 0.549 1.00 0.00 N ATOM 0 H ARG A 57 -15.262 -26.996 -4.827 1.00 0.00 H new ATOM 0 HA ARG A 57 -17.598 -28.426 -5.682 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -16.853 -26.897 -3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -18.372 -27.749 -3.351 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -17.202 -29.883 -3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -15.647 -29.074 -3.598 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -15.853 -29.834 -1.389 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -16.353 -28.159 -1.268 1.00 0.00 H new ATOM 0 HE ARG A 57 -18.562 -30.039 -1.750 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -16.550 -28.380 0.629 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -17.746 -28.536 1.920 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -20.093 -30.236 -0.089 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -19.744 -29.582 1.515 1.00 0.00 H new ATOM 857 N ILE A 58 -17.602 -25.192 -5.763 1.00 0.00 N ATOM 858 CA ILE A 58 -18.371 -24.015 -6.147 1.00 0.00 C ATOM 859 C ILE A 58 -18.770 -24.074 -7.617 1.00 0.00 C ATOM 860 O ILE A 58 -19.790 -23.513 -8.018 1.00 0.00 O ATOM 861 CB ILE A 58 -17.579 -22.718 -5.893 1.00 0.00 C ATOM 862 CG1 ILE A 58 -16.752 -22.350 -7.127 1.00 0.00 C ATOM 863 CG2 ILE A 58 -16.682 -22.875 -4.675 1.00 0.00 C ATOM 864 CD1 ILE A 58 -17.492 -21.470 -8.110 1.00 0.00 C ATOM 0 H ILE A 58 -16.601 -25.026 -5.656 1.00 0.00 H new ATOM 0 HA ILE A 58 -19.269 -24.010 -5.530 1.00 0.00 H new ATOM 0 HB ILE A 58 -18.285 -21.911 -5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -15.844 -21.839 -6.807 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -16.442 -23.265 -7.632 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -16.129 -21.950 -4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -17.293 -23.095 -3.799 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -15.980 -23.692 -4.843 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -16.845 -21.249 -8.959 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -18.386 -21.987 -8.459 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -17.779 -20.539 -7.621 1.00 0.00 H new ATOM 876 N HIS A 59 -17.959 -24.759 -8.418 1.00 0.00 N ATOM 877 CA HIS A 59 -18.229 -24.895 -9.845 1.00 0.00 C ATOM 878 C HIS A 59 -19.563 -25.597 -10.081 1.00 0.00 C ATOM 879 O HIS A 59 -20.237 -25.349 -11.081 1.00 0.00 O ATOM 880 CB HIS A 59 -17.102 -25.672 -10.527 1.00 0.00 C ATOM 881 CG HIS A 59 -15.929 -24.820 -10.902 1.00 0.00 C ATOM 882 ND1 HIS A 59 -16.030 -23.722 -11.729 1.00 0.00 N ATOM 883 CD2 HIS A 59 -14.623 -24.910 -10.556 1.00 0.00 C ATOM 884 CE1 HIS A 59 -14.838 -23.174 -11.878 1.00 0.00 C ATOM 885 NE2 HIS A 59 -13.966 -23.875 -11.175 1.00 0.00 N ATOM 0 H HIS A 59 -17.110 -25.228 -8.103 1.00 0.00 H new ATOM 0 HA HIS A 59 -18.283 -23.896 -10.276 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -16.765 -26.467 -9.861 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -17.494 -26.152 -11.424 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.181 -25.657 -9.913 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -14.614 -22.301 -12.473 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -12.967 -23.679 -11.104 1.00 0.00 H new ATOM 955 N PRO A 64 -28.772 -17.632 -11.100 1.00 0.00 N ATOM 956 CA PRO A 64 -29.602 -17.017 -12.140 1.00 0.00 C ATOM 957 C PRO A 64 -29.525 -15.494 -12.119 1.00 0.00 C ATOM 958 O PRO A 64 -29.463 -14.851 -13.167 1.00 0.00 O ATOM 959 CB PRO A 64 -31.016 -17.485 -11.788 1.00 0.00 C ATOM 960 CG PRO A 64 -30.971 -17.759 -10.324 1.00 0.00 C ATOM 961 CD PRO A 64 -29.581 -18.254 -10.038 1.00 0.00 C ATOM 0 HA PRO A 64 -29.279 -17.304 -13.141 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -31.756 -16.721 -12.025 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -31.289 -18.378 -12.350 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -31.190 -16.858 -9.751 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -31.716 -18.504 -10.043 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -29.243 -17.952 -9.047 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -29.526 -19.342 -10.076 1.00 0.00 H new ATOM 969 N PHE A 65 -29.528 -14.923 -10.919 1.00 0.00 N ATOM 970 CA PHE A 65 -29.459 -13.475 -10.761 1.00 0.00 C ATOM 971 C PHE A 65 -28.023 -12.980 -10.912 1.00 0.00 C ATOM 972 O PHE A 65 -27.077 -13.644 -10.489 1.00 0.00 O ATOM 973 CB PHE A 65 -30.012 -13.062 -9.396 1.00 0.00 C ATOM 974 CG PHE A 65 -31.467 -13.387 -9.216 1.00 0.00 C ATOM 975 CD1 PHE A 65 -32.444 -12.605 -9.810 1.00 0.00 C ATOM 976 CD2 PHE A 65 -31.858 -14.475 -8.452 1.00 0.00 C ATOM 977 CE1 PHE A 65 -33.784 -12.902 -9.645 1.00 0.00 C ATOM 978 CE2 PHE A 65 -33.196 -14.777 -8.284 1.00 0.00 C ATOM 979 CZ PHE A 65 -34.161 -13.990 -8.882 1.00 0.00 C ATOM 0 H PHE A 65 -29.577 -15.441 -10.042 1.00 0.00 H new ATOM 0 HA PHE A 65 -30.066 -13.020 -11.543 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -29.437 -13.559 -8.614 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -29.868 -11.990 -9.264 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -32.156 -11.754 -10.409 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -31.108 -15.094 -7.982 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -34.536 -12.284 -10.113 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -33.487 -15.628 -7.686 1.00 0.00 H new ATOM 0 HZ PHE A 65 -35.207 -14.225 -8.753 1.00 0.00 H new ATOM 989 N LYS A 66 -27.869 -11.807 -11.518 1.00 0.00 N ATOM 990 CA LYS A 66 -26.550 -11.220 -11.725 1.00 0.00 C ATOM 991 C LYS A 66 -26.621 -9.697 -11.692 1.00 0.00 C ATOM 992 O LYS A 66 -27.648 -9.106 -12.029 1.00 0.00 O ATOM 993 CB LYS A 66 -25.966 -11.686 -13.060 1.00 0.00 C ATOM 994 CG LYS A 66 -25.805 -13.193 -13.162 1.00 0.00 C ATOM 995 CD LYS A 66 -25.313 -13.610 -14.538 1.00 0.00 C ATOM 996 CE LYS A 66 -25.708 -15.043 -14.860 1.00 0.00 C ATOM 997 NZ LYS A 66 -27.094 -15.128 -15.399 1.00 0.00 N ATOM 0 H LYS A 66 -28.641 -11.244 -11.874 1.00 0.00 H new ATOM 0 HA LYS A 66 -25.900 -11.553 -10.916 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -26.611 -11.343 -13.869 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -24.994 -11.215 -13.206 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -25.102 -13.537 -12.404 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -26.759 -13.677 -12.954 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -25.726 -12.940 -15.292 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -24.228 -13.511 -14.583 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -25.010 -15.458 -15.587 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -25.630 -15.652 -13.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -27.228 -16.046 -15.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -27.776 -15.035 -14.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -27.247 -14.362 -16.086 1.00 0.00 H new ATOM 1011 N CYS A 67 -25.524 -9.066 -11.287 1.00 0.00 N ATOM 1012 CA CYS A 67 -25.462 -7.612 -11.211 1.00 0.00 C ATOM 1013 C CYS A 67 -24.751 -7.034 -12.432 1.00 0.00 C ATOM 1014 O CYS A 67 -23.886 -7.681 -13.022 1.00 0.00 O ATOM 1015 CB CYS A 67 -24.740 -7.177 -9.934 1.00 0.00 C ATOM 1016 SG CYS A 67 -24.608 -5.371 -9.732 1.00 0.00 S ATOM 0 H CYS A 67 -24.665 -9.540 -11.006 1.00 0.00 H new ATOM 0 HA CYS A 67 -26.483 -7.230 -11.191 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -25.266 -7.591 -9.073 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -23.738 -7.606 -9.932 1.00 0.00 H new ATOM 0 HG CYS A 67 -25.379 -4.986 -8.759 1.00 0.00 H new ATOM 1021 N GLN A 68 -25.122 -5.813 -12.803 1.00 0.00 N ATOM 1022 CA GLN A 68 -24.521 -5.149 -13.954 1.00 0.00 C ATOM 1023 C GLN A 68 -23.196 -4.496 -13.574 1.00 0.00 C ATOM 1024 O GLN A 68 -22.142 -4.859 -14.098 1.00 0.00 O ATOM 1025 CB GLN A 68 -25.477 -4.098 -14.519 1.00 0.00 C ATOM 1026 CG GLN A 68 -26.428 -4.644 -15.572 1.00 0.00 C ATOM 1027 CD GLN A 68 -27.001 -5.996 -15.195 1.00 0.00 C ATOM 1028 OE1 GLN A 68 -27.676 -6.135 -14.175 1.00 0.00 O ATOM 1029 NE2 GLN A 68 -26.735 -7.002 -16.020 1.00 0.00 N ATOM 0 H GLN A 68 -25.835 -5.264 -12.324 1.00 0.00 H new ATOM 0 HA GLN A 68 -24.328 -5.903 -14.718 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -26.059 -3.672 -13.702 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -24.895 -3.285 -14.954 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -27.244 -3.937 -15.721 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -25.902 -4.729 -16.523 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -26.171 -6.842 -16.855 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -27.095 -7.935 -15.819 1.00 0.00 H new ATOM 1038 N ILE A 69 -23.257 -3.533 -12.661 1.00 0.00 N ATOM 1039 CA ILE A 69 -22.061 -2.831 -12.211 1.00 0.00 C ATOM 1040 C ILE A 69 -20.943 -3.811 -11.873 1.00 0.00 C ATOM 1041 O ILE A 69 -19.791 -3.613 -12.261 1.00 0.00 O ATOM 1042 CB ILE A 69 -22.353 -1.956 -10.978 1.00 0.00 C ATOM 1043 CG1 ILE A 69 -23.463 -0.950 -11.289 1.00 0.00 C ATOM 1044 CG2 ILE A 69 -21.090 -1.236 -10.529 1.00 0.00 C ATOM 1045 CD1 ILE A 69 -24.270 -0.546 -10.076 1.00 0.00 C ATOM 0 H ILE A 69 -24.121 -3.221 -12.218 1.00 0.00 H new ATOM 0 HA ILE A 69 -21.742 -2.190 -13.033 1.00 0.00 H new ATOM 0 HB ILE A 69 -22.690 -2.600 -10.166 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -23.020 -0.059 -11.734 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -24.133 -1.379 -12.034 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -21.312 -0.621 -9.657 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -20.325 -1.969 -10.271 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -20.726 -0.601 -11.337 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -25.038 0.169 -10.372 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -24.742 -1.428 -9.643 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -23.612 -0.087 -9.338 1.00 0.00 H new ATOM 1057 N CYS A 70 -21.290 -4.869 -11.148 1.00 0.00 N ATOM 1058 CA CYS A 70 -20.317 -5.882 -10.758 1.00 0.00 C ATOM 1059 C CYS A 70 -20.780 -7.273 -11.181 1.00 0.00 C ATOM 1060 O CYS A 70 -21.975 -7.546 -11.305 1.00 0.00 O ATOM 1061 CB CYS A 70 -20.091 -5.846 -9.245 1.00 0.00 C ATOM 1062 SG CYS A 70 -21.503 -6.454 -8.267 1.00 0.00 S ATOM 0 H CYS A 70 -22.239 -5.047 -10.818 1.00 0.00 H new ATOM 0 HA CYS A 70 -19.377 -5.662 -11.265 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -19.212 -6.445 -9.005 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -19.870 -4.821 -8.946 1.00 0.00 H new ATOM 0 HG CYS A 70 -22.613 -6.052 -8.811 1.00 0.00 H new ATOM 1067 N PRO A 71 -19.814 -8.175 -11.407 1.00 0.00 N ATOM 1068 CA PRO A 71 -20.098 -9.553 -11.818 1.00 0.00 C ATOM 1069 C PRO A 71 -20.736 -10.372 -10.701 1.00 0.00 C ATOM 1070 O PRO A 71 -20.981 -11.568 -10.858 1.00 0.00 O ATOM 1071 CB PRO A 71 -18.716 -10.111 -12.168 1.00 0.00 C ATOM 1072 CG PRO A 71 -17.763 -9.292 -11.366 1.00 0.00 C ATOM 1073 CD PRO A 71 -18.369 -7.919 -11.278 1.00 0.00 C ATOM 0 HA PRO A 71 -20.810 -9.594 -12.642 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -18.640 -11.168 -11.914 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -18.512 -10.024 -13.235 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -17.620 -9.720 -10.374 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -16.783 -9.256 -11.842 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -18.130 -7.434 -10.332 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -18.004 -7.267 -12.072 1.00 0.00 H new ATOM 1081 N TYR A 72 -21.002 -9.720 -9.575 1.00 0.00 N ATOM 1082 CA TYR A 72 -21.610 -10.389 -8.431 1.00 0.00 C ATOM 1083 C TYR A 72 -22.766 -11.282 -8.872 1.00 0.00 C ATOM 1084 O TYR A 72 -23.283 -11.144 -9.980 1.00 0.00 O ATOM 1085 CB TYR A 72 -22.106 -9.358 -7.415 1.00 0.00 C ATOM 1086 CG TYR A 72 -22.809 -9.971 -6.225 1.00 0.00 C ATOM 1087 CD1 TYR A 72 -22.084 -10.521 -5.174 1.00 0.00 C ATOM 1088 CD2 TYR A 72 -24.196 -10.000 -6.150 1.00 0.00 C ATOM 1089 CE1 TYR A 72 -22.721 -11.082 -4.084 1.00 0.00 C ATOM 1090 CE2 TYR A 72 -24.841 -10.558 -5.064 1.00 0.00 C ATOM 1091 CZ TYR A 72 -24.100 -11.098 -4.033 1.00 0.00 C ATOM 1092 OH TYR A 72 -24.739 -11.656 -2.950 1.00 0.00 O ATOM 0 H TYR A 72 -20.806 -8.730 -9.430 1.00 0.00 H new ATOM 0 HA TYR A 72 -20.850 -11.015 -7.963 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -21.258 -8.770 -7.063 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -22.787 -8.668 -7.913 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -21.005 -10.510 -5.210 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -24.780 -9.579 -6.955 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -22.143 -11.506 -3.276 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -25.920 -10.572 -5.022 1.00 0.00 H new ATOM 0 HH TYR A 72 -25.709 -11.585 -3.070 1.00 0.00 H new ATOM 1102 N ALA A 73 -23.166 -12.197 -7.996 1.00 0.00 N ATOM 1103 CA ALA A 73 -24.261 -13.112 -8.292 1.00 0.00 C ATOM 1104 C ALA A 73 -24.908 -13.628 -7.011 1.00 0.00 C ATOM 1105 O ALA A 73 -24.237 -13.806 -5.994 1.00 0.00 O ATOM 1106 CB ALA A 73 -23.765 -14.273 -9.140 1.00 0.00 C ATOM 0 H ALA A 73 -22.748 -12.324 -7.075 1.00 0.00 H new ATOM 0 HA ALA A 73 -25.017 -12.564 -8.854 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -24.594 -14.948 -9.353 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -23.358 -13.892 -10.076 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -22.988 -14.813 -8.599 1.00 0.00 H new ATOM 1112 N SER A 74 -26.214 -13.866 -7.067 1.00 0.00 N ATOM 1113 CA SER A 74 -26.952 -14.358 -5.910 1.00 0.00 C ATOM 1114 C SER A 74 -27.923 -15.463 -6.314 1.00 0.00 C ATOM 1115 O SER A 74 -28.231 -15.633 -7.493 1.00 0.00 O ATOM 1116 CB SER A 74 -27.715 -13.213 -5.241 1.00 0.00 C ATOM 1117 OG SER A 74 -27.987 -13.507 -3.881 1.00 0.00 O ATOM 0 H SER A 74 -26.783 -13.726 -7.902 1.00 0.00 H new ATOM 0 HA SER A 74 -26.234 -14.771 -5.201 1.00 0.00 H new ATOM 0 HB2 SER A 74 -27.131 -12.295 -5.308 1.00 0.00 H new ATOM 0 HB3 SER A 74 -28.650 -13.036 -5.772 1.00 0.00 H new ATOM 0 HG SER A 74 -28.851 -13.964 -3.812 1.00 0.00 H new ATOM 1123 N ARG A 75 -28.400 -16.213 -5.326 1.00 0.00 N ATOM 1124 CA ARG A 75 -29.334 -17.303 -5.577 1.00 0.00 C ATOM 1125 C ARG A 75 -30.777 -16.817 -5.478 1.00 0.00 C ATOM 1126 O ARG A 75 -31.651 -17.282 -6.209 1.00 0.00 O ATOM 1127 CB ARG A 75 -29.101 -18.443 -4.584 1.00 0.00 C ATOM 1128 CG ARG A 75 -29.571 -19.797 -5.088 1.00 0.00 C ATOM 1129 CD ARG A 75 -29.592 -20.831 -3.973 1.00 0.00 C ATOM 1130 NE ARG A 75 -30.797 -20.728 -3.154 1.00 0.00 N ATOM 1131 CZ ARG A 75 -31.240 -21.706 -2.372 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -30.581 -22.854 -2.304 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -32.345 -21.536 -1.656 1.00 0.00 N ATOM 0 H ARG A 75 -28.155 -16.085 -4.344 1.00 0.00 H new ATOM 0 HA ARG A 75 -29.160 -17.670 -6.589 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -28.037 -18.500 -4.353 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -29.617 -18.213 -3.652 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -30.569 -19.701 -5.515 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -28.913 -20.137 -5.888 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -29.531 -21.830 -4.404 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -28.713 -20.702 -3.342 1.00 0.00 H new ATOM 0 HE ARG A 75 -31.327 -19.857 -3.184 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -29.732 -22.988 -2.853 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -30.923 -23.604 -1.703 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -32.855 -20.654 -1.706 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -32.684 -22.288 -1.056 1.00 0.00 H new ATOM 1147 N ASN A 76 -31.019 -15.877 -4.569 1.00 0.00 N ATOM 1148 CA ASN A 76 -32.355 -15.328 -4.374 1.00 0.00 C ATOM 1149 C ASN A 76 -32.446 -13.908 -4.925 1.00 0.00 C ATOM 1150 O ASN A 76 -31.491 -13.396 -5.510 1.00 0.00 O ATOM 1151 CB ASN A 76 -32.720 -15.335 -2.888 1.00 0.00 C ATOM 1152 CG ASN A 76 -31.553 -14.942 -2.004 1.00 0.00 C ATOM 1153 OD1 ASN A 76 -31.522 -13.845 -1.448 1.00 0.00 O ATOM 1154 ND2 ASN A 76 -30.584 -15.840 -1.871 1.00 0.00 N ATOM 0 H ASN A 76 -30.307 -15.480 -3.956 1.00 0.00 H new ATOM 0 HA ASN A 76 -33.061 -15.955 -4.918 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -33.549 -14.648 -2.717 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -33.067 -16.329 -2.607 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -29.772 -15.632 -1.289 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -30.651 -16.738 -2.351 1.00 0.00 H new ATOM 1161 N SER A 77 -33.599 -13.277 -4.732 1.00 0.00 N ATOM 1162 CA SER A 77 -33.816 -11.917 -5.211 1.00 0.00 C ATOM 1163 C SER A 77 -33.347 -10.895 -4.180 1.00 0.00 C ATOM 1164 O SER A 77 -32.463 -10.083 -4.452 1.00 0.00 O ATOM 1165 CB SER A 77 -35.296 -11.695 -5.529 1.00 0.00 C ATOM 1166 OG SER A 77 -35.486 -10.503 -6.271 1.00 0.00 O ATOM 0 H SER A 77 -34.398 -13.686 -4.247 1.00 0.00 H new ATOM 0 HA SER A 77 -33.232 -11.782 -6.121 1.00 0.00 H new ATOM 0 HB2 SER A 77 -35.681 -12.544 -6.094 1.00 0.00 H new ATOM 0 HB3 SER A 77 -35.867 -11.644 -4.602 1.00 0.00 H new ATOM 0 HG SER A 77 -36.440 -10.385 -6.463 1.00 0.00 H new ATOM 1172 N SER A 78 -33.946 -10.944 -2.994 1.00 0.00 N ATOM 1173 CA SER A 78 -33.593 -10.021 -1.921 1.00 0.00 C ATOM 1174 C SER A 78 -32.093 -9.740 -1.918 1.00 0.00 C ATOM 1175 O SER A 78 -31.660 -8.624 -2.203 1.00 0.00 O ATOM 1176 CB SER A 78 -34.019 -10.592 -0.568 1.00 0.00 C ATOM 1177 OG SER A 78 -33.928 -9.611 0.451 1.00 0.00 O ATOM 0 H SER A 78 -34.677 -11.612 -2.752 1.00 0.00 H new ATOM 0 HA SER A 78 -34.121 -9.083 -2.094 1.00 0.00 H new ATOM 0 HB2 SER A 78 -35.043 -10.961 -0.632 1.00 0.00 H new ATOM 0 HB3 SER A 78 -33.388 -11.444 -0.314 1.00 0.00 H new ATOM 0 HG SER A 78 -34.207 -10.000 1.306 1.00 0.00 H new ATOM 1183 N GLN A 79 -31.307 -10.761 -1.592 1.00 0.00 N ATOM 1184 CA GLN A 79 -29.856 -10.624 -1.550 1.00 0.00 C ATOM 1185 C GLN A 79 -29.360 -9.733 -2.685 1.00 0.00 C ATOM 1186 O GLN A 79 -28.464 -8.910 -2.495 1.00 0.00 O ATOM 1187 CB GLN A 79 -29.190 -11.999 -1.638 1.00 0.00 C ATOM 1188 CG GLN A 79 -29.018 -12.678 -0.289 1.00 0.00 C ATOM 1189 CD GLN A 79 -27.805 -13.586 -0.243 1.00 0.00 C ATOM 1190 OE1 GLN A 79 -27.099 -13.575 0.881 1.00 0.00 O flip ATOM 1191 NE2 GLN A 79 -27.507 -14.291 -1.208 1.00 0.00 N flip ATOM 0 H GLN A 79 -31.650 -11.691 -1.353 1.00 0.00 H new ATOM 0 HA GLN A 79 -29.588 -10.158 -0.602 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -29.786 -12.642 -2.286 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -28.213 -11.891 -2.108 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -28.928 -11.918 0.487 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -29.911 -13.260 -0.063 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -28.079 -14.268 -2.052 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -26.689 -14.898 -1.163 1.00 0.00 H new ATOM 1200 N LEU A 80 -29.949 -9.903 -3.864 1.00 0.00 N ATOM 1201 CA LEU A 80 -29.567 -9.114 -5.030 1.00 0.00 C ATOM 1202 C LEU A 80 -30.096 -7.687 -4.919 1.00 0.00 C ATOM 1203 O LEU A 80 -29.401 -6.727 -5.253 1.00 0.00 O ATOM 1204 CB LEU A 80 -30.095 -9.768 -6.308 1.00 0.00 C ATOM 1205 CG LEU A 80 -29.805 -9.024 -7.612 1.00 0.00 C ATOM 1206 CD1 LEU A 80 -28.307 -8.969 -7.873 1.00 0.00 C ATOM 1207 CD2 LEU A 80 -30.527 -9.687 -8.776 1.00 0.00 C ATOM 0 H LEU A 80 -30.692 -10.580 -4.038 1.00 0.00 H new ATOM 0 HA LEU A 80 -28.478 -9.076 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -29.670 -10.769 -6.382 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -31.174 -9.886 -6.213 1.00 0.00 H new ATOM 0 HG LEU A 80 -30.174 -8.003 -7.516 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -28.119 -8.436 -8.805 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -27.813 -8.449 -7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -27.913 -9.983 -7.949 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -30.309 -9.144 -9.696 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -30.188 -10.718 -8.874 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -31.601 -9.674 -8.593 1.00 0.00 H new ATOM 1219 N THR A 81 -31.332 -7.555 -4.447 1.00 0.00 N ATOM 1220 CA THR A 81 -31.954 -6.246 -4.291 1.00 0.00 C ATOM 1221 C THR A 81 -31.199 -5.396 -3.275 1.00 0.00 C ATOM 1222 O THR A 81 -30.904 -4.227 -3.526 1.00 0.00 O ATOM 1223 CB THR A 81 -33.423 -6.372 -3.846 1.00 0.00 C ATOM 1224 OG1 THR A 81 -34.174 -7.090 -4.832 1.00 0.00 O ATOM 1225 CG2 THR A 81 -34.043 -5.000 -3.630 1.00 0.00 C ATOM 0 H THR A 81 -31.922 -8.339 -4.166 1.00 0.00 H new ATOM 0 HA THR A 81 -31.917 -5.760 -5.266 1.00 0.00 H new ATOM 0 HB THR A 81 -33.448 -6.917 -2.902 1.00 0.00 H new ATOM 0 HG1 THR A 81 -35.107 -7.167 -4.541 1.00 0.00 H new ATOM 0 HG21 THR A 81 -35.081 -5.115 -3.316 1.00 0.00 H new ATOM 0 HG22 THR A 81 -33.487 -4.467 -2.858 1.00 0.00 H new ATOM 0 HG23 THR A 81 -34.006 -4.433 -4.560 1.00 0.00 H new ATOM 1233 N VAL A 82 -30.888 -5.989 -2.127 1.00 0.00 N ATOM 1234 CA VAL A 82 -30.166 -5.286 -1.074 1.00 0.00 C ATOM 1235 C VAL A 82 -28.775 -4.872 -1.544 1.00 0.00 C ATOM 1236 O VAL A 82 -28.303 -3.779 -1.232 1.00 0.00 O ATOM 1237 CB VAL A 82 -30.031 -6.155 0.190 1.00 0.00 C ATOM 1238 CG1 VAL A 82 -28.754 -6.981 0.138 1.00 0.00 C ATOM 1239 CG2 VAL A 82 -30.063 -5.287 1.439 1.00 0.00 C ATOM 0 H VAL A 82 -31.125 -6.955 -1.903 1.00 0.00 H new ATOM 0 HA VAL A 82 -30.745 -4.395 -0.833 1.00 0.00 H new ATOM 0 HB VAL A 82 -30.877 -6.841 0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -28.677 -7.588 1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -28.777 -7.631 -0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -27.893 -6.316 0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -29.966 -5.918 2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -29.238 -4.576 1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -31.008 -4.745 1.481 1.00 0.00 H new ATOM 1249 N HIS A 83 -28.124 -5.754 -2.296 1.00 0.00 N ATOM 1250 CA HIS A 83 -26.787 -5.479 -2.811 1.00 0.00 C ATOM 1251 C HIS A 83 -26.818 -4.338 -3.823 1.00 0.00 C ATOM 1252 O HIS A 83 -25.960 -3.455 -3.805 1.00 0.00 O ATOM 1253 CB HIS A 83 -26.199 -6.734 -3.457 1.00 0.00 C ATOM 1254 CG HIS A 83 -25.235 -6.441 -4.565 1.00 0.00 C ATOM 1255 ND1 HIS A 83 -23.869 -6.564 -4.426 1.00 0.00 N ATOM 1256 CD2 HIS A 83 -25.447 -6.031 -5.837 1.00 0.00 C ATOM 1257 CE1 HIS A 83 -23.282 -6.240 -5.565 1.00 0.00 C ATOM 1258 NE2 HIS A 83 -24.218 -5.913 -6.438 1.00 0.00 N ATOM 0 H HIS A 83 -28.500 -6.664 -2.562 1.00 0.00 H new ATOM 0 HA HIS A 83 -26.156 -5.181 -1.974 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -25.693 -7.323 -2.692 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -27.012 -7.347 -3.846 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -26.405 -5.833 -6.295 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -22.218 -6.242 -5.750 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -24.054 -5.621 -7.401 1.00 0.00 H new ATOM 1266 N LEU A 84 -27.811 -4.363 -4.705 1.00 0.00 N ATOM 1267 CA LEU A 84 -27.953 -3.331 -5.726 1.00 0.00 C ATOM 1268 C LEU A 84 -28.080 -1.950 -5.091 1.00 0.00 C ATOM 1269 O LEU A 84 -27.297 -1.047 -5.385 1.00 0.00 O ATOM 1270 CB LEU A 84 -29.175 -3.616 -6.601 1.00 0.00 C ATOM 1271 CG LEU A 84 -28.950 -4.562 -7.781 1.00 0.00 C ATOM 1272 CD1 LEU A 84 -30.278 -4.961 -8.406 1.00 0.00 C ATOM 1273 CD2 LEU A 84 -28.044 -3.915 -8.818 1.00 0.00 C ATOM 0 H LEU A 84 -28.530 -5.086 -4.734 1.00 0.00 H new ATOM 0 HA LEU A 84 -27.057 -3.344 -6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -29.959 -4.035 -5.970 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -29.549 -2.668 -6.987 1.00 0.00 H new ATOM 0 HG LEU A 84 -28.460 -5.463 -7.411 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -30.098 -5.634 -9.244 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -30.894 -5.465 -7.661 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -30.795 -4.070 -8.761 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -27.895 -4.603 -9.651 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -28.506 -2.998 -9.183 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -27.081 -3.680 -8.364 1.00 0.00 H new ATOM 1285 N ARG A 85 -29.069 -1.795 -4.217 1.00 0.00 N ATOM 1286 CA ARG A 85 -29.297 -0.525 -3.538 1.00 0.00 C ATOM 1287 C ARG A 85 -28.112 -0.165 -2.646 1.00 0.00 C ATOM 1288 O ARG A 85 -28.040 0.941 -2.109 1.00 0.00 O ATOM 1289 CB ARG A 85 -30.577 -0.591 -2.703 1.00 0.00 C ATOM 1290 CG ARG A 85 -30.626 -1.780 -1.758 1.00 0.00 C ATOM 1291 CD ARG A 85 -30.347 -1.362 -0.322 1.00 0.00 C ATOM 1292 NE ARG A 85 -28.924 -1.424 -0.001 1.00 0.00 N ATOM 1293 CZ ARG A 85 -28.432 -1.174 1.208 1.00 0.00 C ATOM 1294 NH1 ARG A 85 -29.244 -0.847 2.203 1.00 0.00 N ATOM 1295 NH2 ARG A 85 -27.125 -1.251 1.422 1.00 0.00 N ATOM 0 H ARG A 85 -29.725 -2.533 -3.962 1.00 0.00 H new ATOM 0 HA ARG A 85 -29.407 0.250 -4.297 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -30.670 0.327 -2.123 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -31.436 -0.634 -3.373 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -31.606 -2.253 -1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -29.894 -2.525 -2.070 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -30.711 -0.347 -0.163 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -30.901 -2.009 0.358 1.00 0.00 H new ATOM 0 HE ARG A 85 -28.272 -1.673 -0.745 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -30.249 -0.787 2.042 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -28.864 -0.656 3.130 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -26.497 -1.502 0.658 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -26.748 -1.059 2.350 1.00 0.00 H new ATOM 1309 N SER A 86 -27.186 -1.105 -2.492 1.00 0.00 N ATOM 1310 CA SER A 86 -26.007 -0.889 -1.662 1.00 0.00 C ATOM 1311 C SER A 86 -24.945 -0.099 -2.421 1.00 0.00 C ATOM 1312 O SER A 86 -24.165 0.645 -1.826 1.00 0.00 O ATOM 1313 CB SER A 86 -25.430 -2.228 -1.200 1.00 0.00 C ATOM 1314 OG SER A 86 -24.584 -2.059 -0.076 1.00 0.00 O ATOM 0 H SER A 86 -27.229 -2.024 -2.931 1.00 0.00 H new ATOM 0 HA SER A 86 -26.309 -0.311 -0.789 1.00 0.00 H new ATOM 0 HB2 SER A 86 -26.242 -2.910 -0.948 1.00 0.00 H new ATOM 0 HB3 SER A 86 -24.870 -2.687 -2.015 1.00 0.00 H new ATOM 0 HG SER A 86 -24.245 -1.140 -0.057 1.00 0.00 H new ATOM 1320 N HIS A 87 -24.923 -0.266 -3.740 1.00 0.00 N ATOM 1321 CA HIS A 87 -23.957 0.431 -4.582 1.00 0.00 C ATOM 1322 C HIS A 87 -24.067 1.942 -4.397 1.00 0.00 C ATOM 1323 O HIS A 87 -23.101 2.603 -4.014 1.00 0.00 O ATOM 1324 CB HIS A 87 -24.175 0.068 -6.051 1.00 0.00 C ATOM 1325 CG HIS A 87 -23.513 -1.214 -6.455 1.00 0.00 C ATOM 1326 ND1 HIS A 87 -22.155 -1.426 -6.348 1.00 0.00 N ATOM 1327 CD2 HIS A 87 -24.032 -2.354 -6.968 1.00 0.00 C ATOM 1328 CE1 HIS A 87 -21.866 -2.641 -6.778 1.00 0.00 C ATOM 1329 NE2 HIS A 87 -22.988 -3.225 -7.160 1.00 0.00 N ATOM 0 H HIS A 87 -25.562 -0.877 -4.248 1.00 0.00 H new ATOM 0 HA HIS A 87 -22.957 0.118 -4.283 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -25.245 -0.009 -6.243 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -23.796 0.876 -6.677 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -21.479 -0.750 -5.992 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -25.073 -2.543 -7.186 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -20.881 -3.082 -6.812 1.00 0.00 H new