USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 714 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 89 ASN : amide:sc= -0.0277 K(o=-0.034,f=-1.9!) USER MOD Set 1.2: A 90 ASN : amide:sc=-0.00629 K(o=-0.034,f=-1.8!) USER MOD Set 2.1: A 37 GLN : amide:sc= -0.0548 X(o=-0.055,f=-0.13) USER MOD Set 2.2: A 38 ASN : amide:sc= 0 X(o=-0.055,f=-0.13) USER MOD Set 3.1: A 22 CYS SG : rot -36:sc= -2.26! USER MOD Set 3.2: A 78 MET CE :methyl -170:sc= -1.02 (180deg=-1.21) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 32:sc= 0.321 USER MOD Single : A 28 GLN : amide:sc= -0.0937 K(o=-0.094,f=-1.4) USER MOD Single : A 32 SER OG : rot -97:sc= 0.376 USER MOD Single : A 34 CYS SG : rot -92:sc= -0.986 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0.262 (180deg=0.262) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 96:sc= 0.193 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 54 SER OG : rot -81:sc= 0.182 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.1) USER MOD Single : A 73 LYS NZ :NH3+ -118:sc= 0.63 (180deg=-0.187) USER MOD Single : A 77 THR OG1 : rot 35:sc= 0.153 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -154:sc= 0.434 (180deg=-0.126) USER MOD Single : A 88 SER OG : rot -90:sc= -0.215 USER MOD Single : A 93 MET CE :methyl -107:sc= -1.82 (180deg=-5.3!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.0506 K(o=-0.051,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 83 N PHE A 11 11.644 -3.815 3.291 1.00 0.00 N ATOM 84 CA PHE A 11 11.553 -2.988 2.069 1.00 0.00 C ATOM 85 C PHE A 11 10.063 -2.811 1.706 1.00 0.00 C ATOM 86 O PHE A 11 9.589 -3.255 0.664 1.00 0.00 O ATOM 87 CB PHE A 11 12.360 -3.653 0.911 1.00 0.00 C ATOM 88 CG PHE A 11 13.841 -3.975 1.197 1.00 0.00 C ATOM 89 CD1 PHE A 11 14.530 -3.399 2.264 1.00 0.00 C ATOM 90 CD2 PHE A 11 14.542 -4.865 0.373 1.00 0.00 C ATOM 91 CE1 PHE A 11 15.853 -3.698 2.503 1.00 0.00 C ATOM 92 CE2 PHE A 11 15.874 -5.161 0.614 1.00 0.00 C ATOM 93 CZ PHE A 11 16.529 -4.576 1.678 1.00 0.00 C ATOM 0 HA PHE A 11 11.990 -2.004 2.239 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.857 -4.580 0.634 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.316 -2.995 0.043 1.00 0.00 H new ATOM 0 HD1 PHE A 11 14.017 -2.706 2.914 1.00 0.00 H new ATOM 0 HD2 PHE A 11 14.037 -5.327 -0.462 1.00 0.00 H new ATOM 0 HE1 PHE A 11 16.364 -3.244 3.339 1.00 0.00 H new ATOM 0 HE2 PHE A 11 16.399 -5.850 -0.031 1.00 0.00 H new ATOM 0 HZ PHE A 11 17.568 -4.804 1.866 1.00 0.00 H new ATOM 103 N VAL A 12 9.327 -2.184 2.625 1.00 0.00 N ATOM 104 CA VAL A 12 7.870 -2.030 2.570 1.00 0.00 C ATOM 105 C VAL A 12 7.518 -0.573 2.880 1.00 0.00 C ATOM 106 O VAL A 12 8.143 0.047 3.746 1.00 0.00 O ATOM 107 CB VAL A 12 7.158 -2.980 3.628 1.00 0.00 C ATOM 108 CG1 VAL A 12 5.628 -2.741 3.680 1.00 0.00 C ATOM 109 CG2 VAL A 12 7.483 -4.479 3.371 1.00 0.00 C ATOM 0 H VAL A 12 9.740 -1.756 3.454 1.00 0.00 H new ATOM 0 HA VAL A 12 7.522 -2.304 1.574 1.00 0.00 H new ATOM 0 HB VAL A 12 7.564 -2.720 4.606 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.180 -3.410 4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.431 -1.707 3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.195 -2.938 2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.977 -5.094 4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.141 -4.760 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.559 -4.635 3.442 1.00 0.00 H new ATOM 119 N VAL A 13 6.561 -0.018 2.137 1.00 0.00 N ATOM 120 CA VAL A 13 5.895 1.253 2.488 1.00 0.00 C ATOM 121 C VAL A 13 4.439 1.000 2.895 1.00 0.00 C ATOM 122 O VAL A 13 3.942 -0.130 2.829 1.00 0.00 O ATOM 123 CB VAL A 13 5.937 2.282 1.302 1.00 0.00 C ATOM 124 CG1 VAL A 13 7.381 2.718 1.018 1.00 0.00 C ATOM 125 CG2 VAL A 13 5.258 1.725 0.028 1.00 0.00 C ATOM 0 H VAL A 13 6.219 -0.432 1.270 1.00 0.00 H new ATOM 0 HA VAL A 13 6.441 1.681 3.329 1.00 0.00 H new ATOM 0 HB VAL A 13 5.366 3.160 1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.390 3.431 0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.801 3.187 1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.978 1.846 0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.310 2.469 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.771 0.817 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.214 1.496 0.243 1.00 0.00 H new ATOM 135 N LYS A 14 3.752 2.074 3.290 1.00 0.00 N ATOM 136 CA LYS A 14 2.316 2.045 3.564 1.00 0.00 C ATOM 137 C LYS A 14 1.696 3.298 2.950 1.00 0.00 C ATOM 138 O LYS A 14 2.288 4.375 2.999 1.00 0.00 O ATOM 139 CB LYS A 14 1.999 1.935 5.077 1.00 0.00 C ATOM 140 CG LYS A 14 2.214 3.214 5.911 1.00 0.00 C ATOM 141 CD LYS A 14 1.911 2.996 7.409 1.00 0.00 C ATOM 142 CE LYS A 14 0.484 2.478 7.665 1.00 0.00 C ATOM 143 NZ LYS A 14 0.230 2.215 9.101 1.00 0.00 N ATOM 0 H LYS A 14 4.178 2.990 3.429 1.00 0.00 H new ATOM 0 HA LYS A 14 1.884 1.151 3.115 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.960 1.624 5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.616 1.142 5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.244 3.551 5.796 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.575 4.008 5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.629 2.286 7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.052 3.936 7.943 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.237 3.209 7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.325 1.562 7.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.743 1.868 9.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.899 1.498 9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.355 3.094 9.642 1.00 0.00 H new ATOM 157 N VAL A 15 0.514 3.138 2.357 1.00 0.00 N ATOM 158 CA VAL A 15 -0.128 4.164 1.539 1.00 0.00 C ATOM 159 C VAL A 15 -1.502 4.492 2.132 1.00 0.00 C ATOM 160 O VAL A 15 -2.291 3.590 2.396 1.00 0.00 O ATOM 161 CB VAL A 15 -0.275 3.655 0.062 1.00 0.00 C ATOM 162 CG1 VAL A 15 -0.872 4.734 -0.855 1.00 0.00 C ATOM 163 CG2 VAL A 15 1.082 3.147 -0.485 1.00 0.00 C ATOM 0 H VAL A 15 -0.032 2.280 2.433 1.00 0.00 H new ATOM 0 HA VAL A 15 0.484 5.066 1.533 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.972 2.817 0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.958 4.343 -1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.860 5.016 -0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.223 5.609 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.954 2.800 -1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.809 3.959 -0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.439 2.325 0.135 1.00 0.00 H new ATOM 173 N ARG A 16 -1.766 5.790 2.320 1.00 0.00 N ATOM 174 CA ARG A 16 -3.002 6.301 2.941 1.00 0.00 C ATOM 175 C ARG A 16 -3.586 7.391 2.034 1.00 0.00 C ATOM 176 O ARG A 16 -2.870 7.978 1.218 1.00 0.00 O ATOM 177 CB ARG A 16 -2.739 6.869 4.370 1.00 0.00 C ATOM 178 CG ARG A 16 -1.864 5.978 5.286 1.00 0.00 C ATOM 179 CD ARG A 16 -1.804 6.484 6.742 1.00 0.00 C ATOM 180 NE ARG A 16 -3.105 6.326 7.428 1.00 0.00 N ATOM 181 CZ ARG A 16 -3.854 7.310 7.948 1.00 0.00 C ATOM 182 NH1 ARG A 16 -3.479 8.585 7.863 1.00 0.00 N ATOM 183 NH2 ARG A 16 -4.993 7.003 8.539 1.00 0.00 N ATOM 0 H ARG A 16 -1.120 6.529 2.042 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.709 5.479 3.050 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.260 7.843 4.273 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.699 7.033 4.860 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.257 4.961 5.277 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.853 5.933 4.881 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.036 5.935 7.287 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.513 7.534 6.751 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.468 5.377 7.514 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.606 8.830 7.395 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.064 9.317 8.266 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.292 6.029 8.595 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.574 7.739 8.940 1.00 0.00 H new ATOM 197 N GLY A 17 -4.888 7.667 2.196 1.00 0.00 N ATOM 198 CA GLY A 17 -5.603 8.602 1.321 1.00 0.00 C ATOM 199 C GLY A 17 -6.057 7.939 0.025 1.00 0.00 C ATOM 200 O GLY A 17 -6.392 8.620 -0.959 1.00 0.00 O ATOM 0 H GLY A 17 -5.467 7.254 2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.470 9.000 1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.956 9.448 1.088 1.00 0.00 H new ATOM 204 N LEU A 18 -6.086 6.590 0.044 1.00 0.00 N ATOM 205 CA LEU A 18 -6.552 5.776 -1.083 1.00 0.00 C ATOM 206 C LEU A 18 -8.084 5.801 -1.100 1.00 0.00 C ATOM 207 O LEU A 18 -8.700 5.841 -0.026 1.00 0.00 O ATOM 208 CB LEU A 18 -6.052 4.302 -0.966 1.00 0.00 C ATOM 209 CG LEU A 18 -4.520 4.079 -1.120 1.00 0.00 C ATOM 210 CD1 LEU A 18 -4.144 2.595 -0.911 1.00 0.00 C ATOM 211 CD2 LEU A 18 -4.025 4.612 -2.482 1.00 0.00 C ATOM 0 H LEU A 18 -5.784 6.039 0.848 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.150 6.190 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.358 3.913 0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.562 3.707 -1.723 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.013 4.647 -0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.067 2.473 -1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.440 2.282 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.659 1.982 -1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.951 4.446 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.540 4.087 -3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.234 5.679 -2.553 1.00 0.00 H new ATOM 223 N PRO A 19 -8.726 5.852 -2.302 1.00 0.00 N ATOM 224 CA PRO A 19 -10.182 5.642 -2.418 1.00 0.00 C ATOM 225 C PRO A 19 -10.606 4.272 -1.831 1.00 0.00 C ATOM 226 O PRO A 19 -9.900 3.272 -1.988 1.00 0.00 O ATOM 227 CB PRO A 19 -10.442 5.718 -3.952 1.00 0.00 C ATOM 228 CG PRO A 19 -9.288 6.508 -4.492 1.00 0.00 C ATOM 229 CD PRO A 19 -8.103 6.151 -3.624 1.00 0.00 C ATOM 0 HA PRO A 19 -10.761 6.377 -1.859 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.485 4.724 -4.397 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.392 6.205 -4.169 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.098 6.258 -5.536 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.494 7.578 -4.452 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.561 5.291 -4.017 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.391 6.974 -3.557 1.00 0.00 H new ATOM 237 N TRP A 20 -11.750 4.247 -1.136 1.00 0.00 N ATOM 238 CA TRP A 20 -12.357 3.007 -0.617 1.00 0.00 C ATOM 239 C TRP A 20 -12.862 2.130 -1.790 1.00 0.00 C ATOM 240 O TRP A 20 -13.086 0.927 -1.631 1.00 0.00 O ATOM 241 CB TRP A 20 -13.518 3.356 0.364 1.00 0.00 C ATOM 242 CG TRP A 20 -13.086 3.831 1.756 1.00 0.00 C ATOM 243 CD1 TRP A 20 -13.390 3.221 2.945 1.00 0.00 C ATOM 244 CD2 TRP A 20 -12.284 4.988 2.114 1.00 0.00 C ATOM 245 NE1 TRP A 20 -12.845 3.910 3.992 1.00 0.00 N ATOM 246 CE2 TRP A 20 -12.171 4.991 3.517 1.00 0.00 C ATOM 247 CE3 TRP A 20 -11.663 6.020 1.402 1.00 0.00 C ATOM 248 CZ2 TRP A 20 -11.453 5.972 4.213 1.00 0.00 C ATOM 249 CZ3 TRP A 20 -10.954 6.989 2.091 1.00 0.00 C ATOM 250 CH2 TRP A 20 -10.859 6.962 3.483 1.00 0.00 C ATOM 0 H TRP A 20 -12.285 5.087 -0.915 1.00 0.00 H new ATOM 0 HA TRP A 20 -11.605 2.438 -0.069 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -14.133 4.132 -0.091 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -14.150 2.475 0.480 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -13.979 2.321 3.041 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -12.931 3.653 4.975 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -11.736 6.060 0.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -11.372 5.946 5.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -10.466 7.780 1.541 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -10.306 7.738 3.992 1.00 0.00 H new ATOM 261 N SER A 21 -13.046 2.771 -2.967 1.00 0.00 N ATOM 262 CA SER A 21 -13.447 2.111 -4.225 1.00 0.00 C ATOM 263 C SER A 21 -12.223 1.824 -5.133 1.00 0.00 C ATOM 264 O SER A 21 -12.391 1.476 -6.311 1.00 0.00 O ATOM 265 CB SER A 21 -14.451 3.031 -4.961 1.00 0.00 C ATOM 266 OG SER A 21 -15.540 3.401 -4.122 1.00 0.00 O ATOM 0 H SER A 21 -12.917 3.778 -3.068 1.00 0.00 H new ATOM 0 HA SER A 21 -13.909 1.152 -3.991 1.00 0.00 H new ATOM 0 HB2 SER A 21 -13.937 3.928 -5.306 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.831 2.521 -5.846 1.00 0.00 H new ATOM 0 HG SER A 21 -16.153 3.983 -4.619 1.00 0.00 H new ATOM 272 N CYS A 22 -11.000 1.955 -4.587 1.00 0.00 N ATOM 273 CA CYS A 22 -9.753 1.723 -5.339 1.00 0.00 C ATOM 274 C CYS A 22 -9.337 0.266 -5.204 1.00 0.00 C ATOM 275 O CYS A 22 -9.432 -0.326 -4.118 1.00 0.00 O ATOM 276 CB CYS A 22 -8.611 2.622 -4.818 1.00 0.00 C ATOM 277 SG CYS A 22 -7.037 2.436 -5.690 1.00 0.00 S ATOM 0 H CYS A 22 -10.849 2.224 -3.615 1.00 0.00 H new ATOM 0 HA CYS A 22 -9.940 1.967 -6.385 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -8.927 3.663 -4.887 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.452 2.407 -3.761 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.866 1.189 -6.016 1.00 0.00 H new ATOM 283 N SER A 23 -8.852 -0.289 -6.309 1.00 0.00 N ATOM 284 CA SER A 23 -8.330 -1.655 -6.380 1.00 0.00 C ATOM 285 C SER A 23 -6.836 -1.620 -6.749 1.00 0.00 C ATOM 286 O SER A 23 -6.294 -0.551 -7.069 1.00 0.00 O ATOM 287 CB SER A 23 -9.151 -2.488 -7.389 1.00 0.00 C ATOM 288 OG SER A 23 -9.291 -1.840 -8.641 1.00 0.00 O ATOM 0 H SER A 23 -8.808 0.205 -7.200 1.00 0.00 H new ATOM 0 HA SER A 23 -8.425 -2.135 -5.406 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.668 -3.454 -7.536 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.139 -2.685 -6.973 1.00 0.00 H new ATOM 0 HG SER A 23 -8.498 -1.292 -8.816 1.00 0.00 H new ATOM 294 N ALA A 24 -6.198 -2.801 -6.691 1.00 0.00 N ATOM 295 CA ALA A 24 -4.741 -2.975 -6.833 1.00 0.00 C ATOM 296 C ALA A 24 -4.143 -2.292 -8.079 1.00 0.00 C ATOM 297 O ALA A 24 -3.074 -1.695 -7.990 1.00 0.00 O ATOM 298 CB ALA A 24 -4.409 -4.466 -6.808 1.00 0.00 C ATOM 0 H ALA A 24 -6.691 -3.681 -6.541 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.275 -2.470 -5.987 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.332 -4.601 -6.913 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.738 -4.896 -5.862 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.919 -4.966 -7.631 1.00 0.00 H new ATOM 304 N ASP A 25 -4.853 -2.385 -9.216 1.00 0.00 N ATOM 305 CA ASP A 25 -4.406 -1.839 -10.521 1.00 0.00 C ATOM 306 C ASP A 25 -4.093 -0.327 -10.467 1.00 0.00 C ATOM 307 O ASP A 25 -3.135 0.115 -11.097 1.00 0.00 O ATOM 308 CB ASP A 25 -5.485 -2.114 -11.609 1.00 0.00 C ATOM 309 CG ASP A 25 -5.037 -1.759 -13.042 1.00 0.00 C ATOM 310 OD1 ASP A 25 -4.407 -2.614 -13.697 1.00 0.00 O ATOM 311 OD2 ASP A 25 -5.297 -0.627 -13.511 1.00 0.00 O ATOM 0 H ASP A 25 -5.763 -2.844 -9.262 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.476 -2.349 -10.774 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.759 -3.169 -11.576 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.382 -1.544 -11.368 1.00 0.00 H new ATOM 316 N GLU A 26 -4.920 0.450 -9.738 1.00 0.00 N ATOM 317 CA GLU A 26 -4.762 1.920 -9.633 1.00 0.00 C ATOM 318 C GLU A 26 -3.531 2.292 -8.784 1.00 0.00 C ATOM 319 O GLU A 26 -2.792 3.223 -9.120 1.00 0.00 O ATOM 320 CB GLU A 26 -6.034 2.602 -9.040 1.00 0.00 C ATOM 321 CG GLU A 26 -7.334 2.458 -9.877 1.00 0.00 C ATOM 322 CD GLU A 26 -8.111 1.158 -9.622 1.00 0.00 C ATOM 323 OE1 GLU A 26 -7.736 0.096 -10.159 1.00 0.00 O ATOM 324 OE2 GLU A 26 -9.121 1.190 -8.889 1.00 0.00 O ATOM 0 H GLU A 26 -5.711 0.083 -9.209 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.617 2.290 -10.648 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.216 2.188 -8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.825 3.664 -8.909 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.986 3.305 -9.662 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.078 2.513 -10.935 1.00 0.00 H new ATOM 331 N VAL A 27 -3.331 1.551 -7.679 1.00 0.00 N ATOM 332 CA VAL A 27 -2.188 1.764 -6.759 1.00 0.00 C ATOM 333 C VAL A 27 -0.882 1.270 -7.416 1.00 0.00 C ATOM 334 O VAL A 27 0.192 1.819 -7.181 1.00 0.00 O ATOM 335 CB VAL A 27 -2.438 1.041 -5.381 1.00 0.00 C ATOM 336 CG1 VAL A 27 -1.284 1.280 -4.371 1.00 0.00 C ATOM 337 CG2 VAL A 27 -3.793 1.476 -4.781 1.00 0.00 C ATOM 0 H VAL A 27 -3.950 0.791 -7.396 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.092 2.831 -6.560 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.468 -0.031 -5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.504 0.761 -3.438 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.352 0.899 -4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.185 2.348 -4.178 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.950 0.967 -3.830 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.790 2.554 -4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.597 1.214 -5.469 1.00 0.00 H new ATOM 347 N GLN A 28 -1.019 0.248 -8.275 1.00 0.00 N ATOM 348 CA GLN A 28 0.090 -0.336 -9.046 1.00 0.00 C ATOM 349 C GLN A 28 0.514 0.622 -10.176 1.00 0.00 C ATOM 350 O GLN A 28 1.706 0.801 -10.424 1.00 0.00 O ATOM 351 CB GLN A 28 -0.359 -1.705 -9.624 1.00 0.00 C ATOM 352 CG GLN A 28 0.694 -2.468 -10.456 1.00 0.00 C ATOM 353 CD GLN A 28 0.169 -3.783 -11.034 1.00 0.00 C ATOM 354 OE1 GLN A 28 -1.031 -3.956 -11.268 1.00 0.00 O ATOM 355 NE2 GLN A 28 1.068 -4.713 -11.295 1.00 0.00 N ATOM 0 H GLN A 28 -1.916 -0.202 -8.456 1.00 0.00 H new ATOM 0 HA GLN A 28 0.950 -0.489 -8.394 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.670 -2.342 -8.796 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.238 -1.543 -10.248 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.034 -1.830 -11.272 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.562 -2.675 -9.830 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.053 -4.542 -11.091 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.778 -5.603 -11.701 1.00 0.00 H new ATOM 364 N ARG A 29 -0.487 1.218 -10.865 1.00 0.00 N ATOM 365 CA ARG A 29 -0.281 2.257 -11.898 1.00 0.00 C ATOM 366 C ARG A 29 0.417 3.488 -11.298 1.00 0.00 C ATOM 367 O ARG A 29 1.395 3.984 -11.865 1.00 0.00 O ATOM 368 CB ARG A 29 -1.653 2.668 -12.569 1.00 0.00 C ATOM 369 CG ARG A 29 -1.740 2.416 -14.095 1.00 0.00 C ATOM 370 CD ARG A 29 -1.872 0.927 -14.449 1.00 0.00 C ATOM 371 NE ARG A 29 -1.940 0.706 -15.909 1.00 0.00 N ATOM 372 CZ ARG A 29 -2.716 -0.195 -16.535 1.00 0.00 C ATOM 373 NH1 ARG A 29 -3.583 -0.938 -15.860 1.00 0.00 N ATOM 374 NH2 ARG A 29 -2.646 -0.314 -17.849 1.00 0.00 N ATOM 0 H ARG A 29 -1.470 0.988 -10.717 1.00 0.00 H new ATOM 0 HA ARG A 29 0.363 1.839 -12.672 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.458 2.119 -12.079 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.829 3.727 -12.381 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.595 2.957 -14.499 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.850 2.821 -14.576 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.022 0.381 -14.039 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.768 0.521 -13.979 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.344 1.291 -16.495 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.669 -0.830 -14.849 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.164 -1.617 -16.352 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.006 0.276 -18.381 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.232 -0.996 -18.331 1.00 0.00 H new ATOM 388 N PHE A 30 -0.092 3.969 -10.145 1.00 0.00 N ATOM 389 CA PHE A 30 0.461 5.156 -9.477 1.00 0.00 C ATOM 390 C PHE A 30 1.910 4.868 -9.043 1.00 0.00 C ATOM 391 O PHE A 30 2.835 5.528 -9.508 1.00 0.00 O ATOM 392 CB PHE A 30 -0.427 5.593 -8.279 1.00 0.00 C ATOM 393 CG PHE A 30 0.090 6.839 -7.554 1.00 0.00 C ATOM 394 CD1 PHE A 30 0.033 8.095 -8.155 1.00 0.00 C ATOM 395 CD2 PHE A 30 0.664 6.749 -6.293 1.00 0.00 C ATOM 396 CE1 PHE A 30 0.528 9.210 -7.506 1.00 0.00 C ATOM 397 CE2 PHE A 30 1.162 7.861 -5.652 1.00 0.00 C ATOM 398 CZ PHE A 30 1.094 9.091 -6.257 1.00 0.00 C ATOM 0 H PHE A 30 -0.886 3.550 -9.660 1.00 0.00 H new ATOM 0 HA PHE A 30 0.469 5.991 -10.178 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.438 5.785 -8.638 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.493 4.770 -7.567 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.402 8.198 -9.138 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.721 5.787 -5.805 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.471 10.178 -7.981 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.606 7.765 -4.672 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.484 9.964 -5.754 1.00 0.00 H new ATOM 408 N PHE A 31 2.099 3.813 -8.231 1.00 0.00 N ATOM 409 CA PHE A 31 3.437 3.363 -7.779 1.00 0.00 C ATOM 410 C PHE A 31 4.091 2.415 -8.811 1.00 0.00 C ATOM 411 O PHE A 31 4.767 1.454 -8.440 1.00 0.00 O ATOM 412 CB PHE A 31 3.341 2.678 -6.387 1.00 0.00 C ATOM 413 CG PHE A 31 2.916 3.606 -5.253 1.00 0.00 C ATOM 414 CD1 PHE A 31 3.826 4.502 -4.690 1.00 0.00 C ATOM 415 CD2 PHE A 31 1.615 3.594 -4.758 1.00 0.00 C ATOM 416 CE1 PHE A 31 3.445 5.355 -3.673 1.00 0.00 C ATOM 417 CE2 PHE A 31 1.238 4.444 -3.740 1.00 0.00 C ATOM 418 CZ PHE A 31 2.152 5.329 -3.199 1.00 0.00 C ATOM 0 H PHE A 31 1.333 3.246 -7.867 1.00 0.00 H new ATOM 0 HA PHE A 31 4.073 4.244 -7.689 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.631 1.853 -6.450 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.311 2.245 -6.141 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.842 4.529 -5.055 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.892 2.910 -5.177 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.161 6.043 -3.249 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.226 4.418 -3.364 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.853 5.999 -2.406 1.00 0.00 H new ATOM 428 N SER A 32 3.882 2.698 -10.114 1.00 0.00 N ATOM 429 CA SER A 32 4.661 2.090 -11.216 1.00 0.00 C ATOM 430 C SER A 32 6.167 2.372 -11.039 1.00 0.00 C ATOM 431 O SER A 32 7.014 1.561 -11.423 1.00 0.00 O ATOM 432 CB SER A 32 4.168 2.657 -12.564 1.00 0.00 C ATOM 433 OG SER A 32 4.230 4.078 -12.575 1.00 0.00 O ATOM 0 H SER A 32 3.169 3.354 -10.433 1.00 0.00 H new ATOM 0 HA SER A 32 4.514 1.010 -11.200 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.777 2.257 -13.375 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.143 2.333 -12.745 1.00 0.00 H new ATOM 0 HG SER A 32 3.349 4.446 -12.355 1.00 0.00 H new ATOM 439 N ASP A 33 6.460 3.544 -10.446 1.00 0.00 N ATOM 440 CA ASP A 33 7.828 4.009 -10.113 1.00 0.00 C ATOM 441 C ASP A 33 8.507 3.120 -9.047 1.00 0.00 C ATOM 442 O ASP A 33 9.717 3.213 -8.845 1.00 0.00 O ATOM 443 CB ASP A 33 7.765 5.461 -9.583 1.00 0.00 C ATOM 444 CG ASP A 33 7.041 6.413 -10.543 1.00 0.00 C ATOM 445 OD1 ASP A 33 5.789 6.437 -10.530 1.00 0.00 O ATOM 446 OD2 ASP A 33 7.709 7.132 -11.311 1.00 0.00 O ATOM 0 H ASP A 33 5.738 4.213 -10.177 1.00 0.00 H new ATOM 0 HA ASP A 33 8.420 3.953 -11.026 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.257 5.469 -8.619 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.778 5.825 -9.413 1.00 0.00 H new ATOM 451 N CYS A 34 7.702 2.309 -8.349 1.00 0.00 N ATOM 452 CA CYS A 34 8.164 1.399 -7.297 1.00 0.00 C ATOM 453 C CYS A 34 7.940 -0.057 -7.753 1.00 0.00 C ATOM 454 O CYS A 34 6.850 -0.400 -8.213 1.00 0.00 O ATOM 455 CB CYS A 34 7.379 1.706 -5.998 1.00 0.00 C ATOM 456 SG CYS A 34 7.422 3.454 -5.527 1.00 0.00 S ATOM 0 H CYS A 34 6.695 2.267 -8.503 1.00 0.00 H new ATOM 0 HA CYS A 34 9.228 1.537 -7.105 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.342 1.398 -6.128 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.790 1.108 -5.184 1.00 0.00 H new ATOM 0 HG CYS A 34 8.413 3.659 -4.711 1.00 0.00 H new ATOM 462 N LYS A 35 8.984 -0.898 -7.635 1.00 0.00 N ATOM 463 CA LYS A 35 8.897 -2.333 -7.965 1.00 0.00 C ATOM 464 C LYS A 35 8.139 -3.067 -6.852 1.00 0.00 C ATOM 465 O LYS A 35 8.736 -3.493 -5.850 1.00 0.00 O ATOM 466 CB LYS A 35 10.303 -2.979 -8.157 1.00 0.00 C ATOM 467 CG LYS A 35 11.130 -2.469 -9.349 1.00 0.00 C ATOM 468 CD LYS A 35 10.477 -2.763 -10.715 1.00 0.00 C ATOM 469 CE LYS A 35 10.188 -4.261 -10.953 1.00 0.00 C ATOM 470 NZ LYS A 35 11.402 -5.109 -10.787 1.00 0.00 N ATOM 0 H LYS A 35 9.906 -0.605 -7.311 1.00 0.00 H new ATOM 0 HA LYS A 35 8.363 -2.425 -8.911 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.880 -2.819 -7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.173 -4.056 -8.267 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.276 -1.394 -9.248 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.118 -2.929 -9.320 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.543 -2.205 -10.789 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.131 -2.397 -11.507 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.418 -4.594 -10.257 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.789 -4.396 -11.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.156 -6.105 -10.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.129 -4.811 -11.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.769 -5.004 -9.820 1.00 0.00 H new ATOM 484 N ILE A 36 6.812 -3.145 -7.016 1.00 0.00 N ATOM 485 CA ILE A 36 5.933 -3.847 -6.081 1.00 0.00 C ATOM 486 C ILE A 36 6.127 -5.355 -6.285 1.00 0.00 C ATOM 487 O ILE A 36 6.037 -5.819 -7.428 1.00 0.00 O ATOM 488 CB ILE A 36 4.430 -3.430 -6.285 1.00 0.00 C ATOM 489 CG1 ILE A 36 4.298 -1.870 -6.397 1.00 0.00 C ATOM 490 CG2 ILE A 36 3.564 -3.969 -5.127 1.00 0.00 C ATOM 491 CD1 ILE A 36 2.890 -1.348 -6.670 1.00 0.00 C ATOM 0 H ILE A 36 6.320 -2.721 -7.803 1.00 0.00 H new ATOM 0 HA ILE A 36 6.192 -3.577 -5.057 1.00 0.00 H new ATOM 0 HB ILE A 36 4.072 -3.867 -7.217 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.658 -1.425 -5.470 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.956 -1.523 -7.194 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.526 -3.673 -5.281 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.631 -5.057 -5.098 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.922 -3.558 -4.183 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.910 -0.260 -6.729 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.527 -1.756 -7.614 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.225 -1.655 -5.863 1.00 0.00 H new ATOM 503 N GLN A 37 6.360 -6.086 -5.166 1.00 0.00 N ATOM 504 CA GLN A 37 6.910 -7.471 -5.153 1.00 0.00 C ATOM 505 C GLN A 37 6.266 -8.399 -6.213 1.00 0.00 C ATOM 506 O GLN A 37 6.920 -8.773 -7.190 1.00 0.00 O ATOM 507 CB GLN A 37 6.752 -8.114 -3.744 1.00 0.00 C ATOM 508 CG GLN A 37 7.404 -9.512 -3.616 1.00 0.00 C ATOM 509 CD GLN A 37 7.042 -10.219 -2.318 1.00 0.00 C ATOM 510 OE1 GLN A 37 6.066 -10.970 -2.249 1.00 0.00 O ATOM 511 NE2 GLN A 37 7.811 -9.978 -1.277 1.00 0.00 N ATOM 0 H GLN A 37 6.169 -5.726 -4.231 1.00 0.00 H new ATOM 0 HA GLN A 37 7.966 -7.372 -5.406 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.192 -7.449 -3.001 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.691 -8.196 -3.510 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.094 -10.130 -4.459 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.487 -9.409 -3.677 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.611 -9.352 -1.368 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.607 -10.418 -0.380 1.00 0.00 H new ATOM 520 N ASN A 38 4.974 -8.731 -6.027 1.00 0.00 N ATOM 521 CA ASN A 38 4.197 -9.556 -6.981 1.00 0.00 C ATOM 522 C ASN A 38 3.161 -8.678 -7.709 1.00 0.00 C ATOM 523 O ASN A 38 1.997 -9.065 -7.885 1.00 0.00 O ATOM 524 CB ASN A 38 3.533 -10.740 -6.202 1.00 0.00 C ATOM 525 CG ASN A 38 4.551 -11.803 -5.749 1.00 0.00 C ATOM 526 OD1 ASN A 38 5.480 -12.145 -6.484 1.00 0.00 O ATOM 527 ND2 ASN A 38 4.395 -12.326 -4.539 1.00 0.00 N ATOM 0 H ASN A 38 4.437 -8.436 -5.212 1.00 0.00 H new ATOM 0 HA ASN A 38 4.850 -9.979 -7.745 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.012 -10.347 -5.329 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.782 -11.210 -6.837 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.052 -13.028 -4.198 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.618 -12.026 -3.950 1.00 0.00 H new ATOM 534 N GLY A 39 3.618 -7.477 -8.122 1.00 0.00 N ATOM 535 CA GLY A 39 2.784 -6.514 -8.846 1.00 0.00 C ATOM 536 C GLY A 39 1.576 -6.055 -8.036 1.00 0.00 C ATOM 537 O GLY A 39 1.733 -5.629 -6.889 1.00 0.00 O ATOM 0 H GLY A 39 4.572 -7.155 -7.960 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.387 -5.647 -9.114 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.442 -6.964 -9.778 1.00 0.00 H new ATOM 541 N ALA A 40 0.367 -6.202 -8.613 1.00 0.00 N ATOM 542 CA ALA A 40 -0.913 -5.919 -7.930 1.00 0.00 C ATOM 543 C ALA A 40 -1.054 -6.710 -6.618 1.00 0.00 C ATOM 544 O ALA A 40 -1.565 -6.204 -5.618 1.00 0.00 O ATOM 545 CB ALA A 40 -2.073 -6.275 -8.874 1.00 0.00 C ATOM 0 H ALA A 40 0.249 -6.523 -9.574 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.935 -4.859 -7.677 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.022 -6.069 -8.378 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.000 -5.676 -9.782 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.020 -7.333 -9.132 1.00 0.00 H new ATOM 551 N GLN A 41 -0.571 -7.955 -6.645 1.00 0.00 N ATOM 552 CA GLN A 41 -0.697 -8.896 -5.515 1.00 0.00 C ATOM 553 C GLN A 41 0.323 -8.584 -4.393 1.00 0.00 C ATOM 554 O GLN A 41 0.135 -9.002 -3.240 1.00 0.00 O ATOM 555 CB GLN A 41 -0.536 -10.340 -6.052 1.00 0.00 C ATOM 556 CG GLN A 41 -1.067 -11.452 -5.127 1.00 0.00 C ATOM 557 CD GLN A 41 -1.027 -12.824 -5.784 1.00 0.00 C ATOM 558 OE1 GLN A 41 -0.070 -13.582 -5.626 1.00 0.00 O ATOM 559 NE2 GLN A 41 -2.030 -13.111 -6.593 1.00 0.00 N ATOM 0 H GLN A 41 -0.080 -8.345 -7.449 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.684 -8.788 -5.064 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.049 -10.412 -7.011 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.522 -10.523 -6.242 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.475 -11.473 -4.212 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.092 -11.221 -4.838 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.805 -12.456 -6.697 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.030 -13.988 -7.114 1.00 0.00 H new ATOM 568 N GLY A 42 1.395 -7.838 -4.742 1.00 0.00 N ATOM 569 CA GLY A 42 2.375 -7.345 -3.760 1.00 0.00 C ATOM 570 C GLY A 42 1.792 -6.260 -2.848 1.00 0.00 C ATOM 571 O GLY A 42 2.331 -5.986 -1.770 1.00 0.00 O ATOM 0 H GLY A 42 1.600 -7.565 -5.703 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.726 -8.178 -3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.243 -6.947 -4.285 1.00 0.00 H new ATOM 575 N ILE A 43 0.698 -5.620 -3.314 1.00 0.00 N ATOM 576 CA ILE A 43 -0.046 -4.608 -2.540 1.00 0.00 C ATOM 577 C ILE A 43 -0.975 -5.322 -1.533 1.00 0.00 C ATOM 578 O ILE A 43 -1.571 -6.355 -1.858 1.00 0.00 O ATOM 579 CB ILE A 43 -0.905 -3.686 -3.484 1.00 0.00 C ATOM 580 CG1 ILE A 43 -0.024 -3.112 -4.634 1.00 0.00 C ATOM 581 CG2 ILE A 43 -1.601 -2.551 -2.685 1.00 0.00 C ATOM 582 CD1 ILE A 43 -0.786 -2.370 -5.714 1.00 0.00 C ATOM 0 H ILE A 43 0.307 -5.792 -4.240 1.00 0.00 H new ATOM 0 HA ILE A 43 0.672 -3.980 -2.012 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.691 -4.295 -3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.715 -2.437 -4.203 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.525 -3.933 -5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.186 -1.933 -3.366 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.260 -2.986 -1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.847 -1.936 -2.194 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.088 -2.008 -6.469 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.506 -3.043 -6.179 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.312 -1.524 -5.272 1.00 0.00 H new ATOM 594 N ARG A 44 -1.083 -4.767 -0.317 1.00 0.00 N ATOM 595 CA ARG A 44 -1.918 -5.343 0.759 1.00 0.00 C ATOM 596 C ARG A 44 -2.872 -4.280 1.310 1.00 0.00 C ATOM 597 O ARG A 44 -2.482 -3.495 2.161 1.00 0.00 O ATOM 598 CB ARG A 44 -1.016 -5.899 1.896 1.00 0.00 C ATOM 599 CG ARG A 44 0.014 -6.960 1.452 1.00 0.00 C ATOM 600 CD ARG A 44 -0.634 -8.243 0.903 1.00 0.00 C ATOM 601 NE ARG A 44 0.373 -9.183 0.399 1.00 0.00 N ATOM 602 CZ ARG A 44 0.180 -10.483 0.157 1.00 0.00 C ATOM 603 NH1 ARG A 44 -1.023 -11.044 0.289 1.00 0.00 N ATOM 604 NH2 ARG A 44 1.203 -11.219 -0.226 1.00 0.00 N ATOM 0 H ARG A 44 -0.599 -3.911 -0.048 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.507 -6.163 0.348 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.483 -5.067 2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.654 -6.333 2.666 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.660 -6.531 0.686 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.650 -7.216 2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.218 -8.721 1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.327 -7.987 0.102 1.00 0.00 H new ATOM 0 HE ARG A 44 1.305 -8.811 0.217 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.820 -10.478 0.580 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.146 -12.039 0.099 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.124 -10.795 -0.334 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.074 -12.213 -0.415 1.00 0.00 H new ATOM 618 N PHE A 45 -4.124 -4.258 0.824 1.00 0.00 N ATOM 619 CA PHE A 45 -5.148 -3.307 1.310 1.00 0.00 C ATOM 620 C PHE A 45 -5.710 -3.774 2.653 1.00 0.00 C ATOM 621 O PHE A 45 -5.978 -4.968 2.828 1.00 0.00 O ATOM 622 CB PHE A 45 -6.311 -3.173 0.301 1.00 0.00 C ATOM 623 CG PHE A 45 -5.921 -2.583 -1.044 1.00 0.00 C ATOM 624 CD1 PHE A 45 -5.430 -3.394 -2.062 1.00 0.00 C ATOM 625 CD2 PHE A 45 -6.056 -1.217 -1.298 1.00 0.00 C ATOM 626 CE1 PHE A 45 -5.091 -2.863 -3.283 1.00 0.00 C ATOM 627 CE2 PHE A 45 -5.714 -0.689 -2.521 1.00 0.00 C ATOM 628 CZ PHE A 45 -5.232 -1.512 -3.513 1.00 0.00 C ATOM 0 H PHE A 45 -4.456 -4.888 0.093 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.666 -2.336 1.426 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.747 -4.158 0.137 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.088 -2.550 0.744 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.314 -4.454 -1.890 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.434 -0.566 -0.524 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.713 -3.506 -4.064 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.824 0.370 -2.703 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.964 -1.098 -4.474 1.00 0.00 H new ATOM 638 N ILE A 46 -5.879 -2.839 3.596 1.00 0.00 N ATOM 639 CA ILE A 46 -6.589 -3.116 4.851 1.00 0.00 C ATOM 640 C ILE A 46 -8.101 -3.161 4.544 1.00 0.00 C ATOM 641 O ILE A 46 -8.790 -2.135 4.593 1.00 0.00 O ATOM 642 CB ILE A 46 -6.260 -2.059 5.977 1.00 0.00 C ATOM 643 CG1 ILE A 46 -4.717 -1.833 6.103 1.00 0.00 C ATOM 644 CG2 ILE A 46 -6.869 -2.493 7.341 1.00 0.00 C ATOM 645 CD1 ILE A 46 -3.921 -3.085 6.389 1.00 0.00 C ATOM 0 H ILE A 46 -5.533 -1.883 3.514 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.256 -4.076 5.245 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.715 -1.111 5.689 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.351 -1.389 5.177 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.532 -1.111 6.898 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.629 -1.749 8.100 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.952 -2.578 7.246 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.454 -3.457 7.634 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.862 -2.835 6.460 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.255 -3.521 7.330 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.071 -3.803 5.583 1.00 0.00 H new ATOM 657 N TYR A 47 -8.574 -4.361 4.124 1.00 0.00 N ATOM 658 CA TYR A 47 -10.003 -4.619 3.841 1.00 0.00 C ATOM 659 C TYR A 47 -10.767 -4.723 5.163 1.00 0.00 C ATOM 660 O TYR A 47 -10.222 -5.226 6.159 1.00 0.00 O ATOM 661 CB TYR A 47 -10.193 -5.930 3.020 1.00 0.00 C ATOM 662 CG TYR A 47 -9.542 -5.924 1.629 1.00 0.00 C ATOM 663 CD1 TYR A 47 -10.125 -5.236 0.563 1.00 0.00 C ATOM 664 CD2 TYR A 47 -8.357 -6.621 1.379 1.00 0.00 C ATOM 665 CE1 TYR A 47 -9.553 -5.240 -0.692 1.00 0.00 C ATOM 666 CE2 TYR A 47 -7.786 -6.629 0.125 1.00 0.00 C ATOM 667 CZ TYR A 47 -8.387 -5.937 -0.903 1.00 0.00 C ATOM 668 OH TYR A 47 -7.820 -5.944 -2.150 1.00 0.00 O ATOM 0 H TYR A 47 -7.975 -5.173 3.973 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.391 -3.792 3.246 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.784 -6.762 3.593 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.261 -6.117 2.904 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.042 -4.690 0.724 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.880 -7.163 2.183 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.018 -4.699 -1.503 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.871 -7.175 -0.051 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.122 -5.257 -2.196 1.00 0.00 H new ATOM 678 N THR A 48 -12.026 -4.258 5.176 1.00 0.00 N ATOM 679 CA THR A 48 -12.860 -4.237 6.383 1.00 0.00 C ATOM 680 C THR A 48 -13.986 -5.283 6.268 1.00 0.00 C ATOM 681 O THR A 48 -14.109 -5.981 5.254 1.00 0.00 O ATOM 682 CB THR A 48 -13.439 -2.794 6.634 1.00 0.00 C ATOM 683 OG1 THR A 48 -14.214 -2.755 7.849 1.00 0.00 O ATOM 684 CG2 THR A 48 -14.295 -2.284 5.458 1.00 0.00 C ATOM 0 H THR A 48 -12.493 -3.886 4.349 1.00 0.00 H new ATOM 0 HA THR A 48 -12.243 -4.497 7.243 1.00 0.00 H new ATOM 0 HB THR A 48 -12.578 -2.132 6.728 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.562 -1.849 7.986 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.668 -1.285 5.686 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.687 -2.247 4.554 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.137 -2.959 5.301 1.00 0.00 H new ATOM 692 N ARG A 49 -14.797 -5.364 7.334 1.00 0.00 N ATOM 693 CA ARG A 49 -15.983 -6.254 7.451 1.00 0.00 C ATOM 694 C ARG A 49 -17.117 -5.895 6.462 1.00 0.00 C ATOM 695 O ARG A 49 -18.122 -6.609 6.380 1.00 0.00 O ATOM 696 CB ARG A 49 -16.498 -6.204 8.918 1.00 0.00 C ATOM 697 CG ARG A 49 -16.773 -4.773 9.441 1.00 0.00 C ATOM 698 CD ARG A 49 -17.107 -4.732 10.938 1.00 0.00 C ATOM 699 NE ARG A 49 -17.171 -3.347 11.442 1.00 0.00 N ATOM 700 CZ ARG A 49 -18.045 -2.887 12.351 1.00 0.00 C ATOM 701 NH1 ARG A 49 -18.972 -3.679 12.892 1.00 0.00 N ATOM 702 NH2 ARG A 49 -17.971 -1.624 12.741 1.00 0.00 N ATOM 0 H ARG A 49 -14.649 -4.798 8.169 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.670 -7.264 7.187 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -17.415 -6.789 8.990 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -15.764 -6.682 9.566 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -15.899 -4.150 9.253 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -17.600 -4.340 8.878 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -18.062 -5.228 11.112 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.353 -5.288 11.495 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.494 -2.682 11.068 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -19.029 -4.660 12.617 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -19.624 -3.304 13.581 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.255 -1.011 12.351 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.630 -1.264 13.431 1.00 0.00 H new ATOM 716 N GLU A 50 -16.950 -4.789 5.723 1.00 0.00 N ATOM 717 CA GLU A 50 -17.890 -4.349 4.677 1.00 0.00 C ATOM 718 C GLU A 50 -17.489 -4.952 3.303 1.00 0.00 C ATOM 719 O GLU A 50 -18.299 -4.997 2.375 1.00 0.00 O ATOM 720 CB GLU A 50 -17.886 -2.795 4.630 1.00 0.00 C ATOM 721 CG GLU A 50 -18.968 -2.148 3.746 1.00 0.00 C ATOM 722 CD GLU A 50 -20.402 -2.453 4.213 1.00 0.00 C ATOM 723 OE1 GLU A 50 -20.882 -1.778 5.153 1.00 0.00 O ATOM 724 OE2 GLU A 50 -21.053 -3.364 3.656 1.00 0.00 O ATOM 0 H GLU A 50 -16.150 -4.166 5.835 1.00 0.00 H new ATOM 0 HA GLU A 50 -18.896 -4.699 4.907 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -18.002 -2.419 5.647 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -16.909 -2.464 4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -18.820 -1.068 3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -18.846 -2.497 2.721 1.00 0.00 H new ATOM 731 N GLY A 51 -16.225 -5.430 3.206 1.00 0.00 N ATOM 732 CA GLY A 51 -15.684 -6.020 1.968 1.00 0.00 C ATOM 733 C GLY A 51 -15.087 -4.980 1.017 1.00 0.00 C ATOM 734 O GLY A 51 -15.362 -5.000 -0.190 1.00 0.00 O ATOM 0 H GLY A 51 -15.560 -5.416 3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.917 -6.750 2.226 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.478 -6.560 1.453 1.00 0.00 H new ATOM 738 N ARG A 52 -14.256 -4.074 1.576 1.00 0.00 N ATOM 739 CA ARG A 52 -13.557 -3.005 0.810 1.00 0.00 C ATOM 740 C ARG A 52 -12.381 -2.408 1.625 1.00 0.00 C ATOM 741 O ARG A 52 -12.398 -2.494 2.855 1.00 0.00 O ATOM 742 CB ARG A 52 -14.558 -1.889 0.372 1.00 0.00 C ATOM 743 CG ARG A 52 -15.373 -1.247 1.515 1.00 0.00 C ATOM 744 CD ARG A 52 -16.277 -0.109 1.010 1.00 0.00 C ATOM 745 NE ARG A 52 -17.226 0.359 2.034 1.00 0.00 N ATOM 746 CZ ARG A 52 -17.284 1.600 2.548 1.00 0.00 C ATOM 747 NH1 ARG A 52 -16.418 2.540 2.189 1.00 0.00 N ATOM 748 NH2 ARG A 52 -18.223 1.891 3.429 1.00 0.00 N ATOM 0 H ARG A 52 -14.047 -4.059 2.574 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.140 -3.457 -0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -14.000 -1.104 -0.139 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -15.252 -2.312 -0.354 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.985 -2.010 1.996 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.692 -0.860 2.273 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.656 0.727 0.687 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.831 -0.451 0.136 1.00 0.00 H new ATOM 0 HE ARG A 52 -17.901 -0.320 2.385 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.688 2.328 1.509 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.483 3.474 2.593 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.895 1.178 3.713 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.277 2.829 3.826 1.00 0.00 H new ATOM 762 N PRO A 53 -11.328 -1.807 0.955 1.00 0.00 N ATOM 763 CA PRO A 53 -10.204 -1.129 1.663 1.00 0.00 C ATOM 764 C PRO A 53 -10.687 0.090 2.484 1.00 0.00 C ATOM 765 O PRO A 53 -11.664 0.746 2.114 1.00 0.00 O ATOM 766 CB PRO A 53 -9.246 -0.703 0.516 1.00 0.00 C ATOM 767 CG PRO A 53 -10.115 -0.650 -0.707 1.00 0.00 C ATOM 768 CD PRO A 53 -11.144 -1.749 -0.526 1.00 0.00 C ATOM 0 HA PRO A 53 -9.723 -1.779 2.393 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.790 0.266 0.720 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.433 -1.418 0.393 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.595 0.324 -0.805 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.528 -0.808 -1.612 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.077 -1.515 -1.038 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -10.791 -2.700 -0.925 1.00 0.00 H new ATOM 776 N SER A 54 -9.987 0.368 3.598 1.00 0.00 N ATOM 777 CA SER A 54 -10.303 1.474 4.521 1.00 0.00 C ATOM 778 C SER A 54 -9.475 2.735 4.199 1.00 0.00 C ATOM 779 O SER A 54 -9.331 3.629 5.045 1.00 0.00 O ATOM 780 CB SER A 54 -10.035 1.000 5.964 1.00 0.00 C ATOM 781 OG SER A 54 -8.704 0.528 6.108 1.00 0.00 O ATOM 0 H SER A 54 -9.174 -0.177 3.887 1.00 0.00 H new ATOM 0 HA SER A 54 -11.352 1.746 4.406 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.210 1.822 6.658 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.736 0.207 6.226 1.00 0.00 H new ATOM 0 HG SER A 54 -8.647 -0.395 5.783 1.00 0.00 H new ATOM 787 N GLY A 55 -8.939 2.806 2.967 1.00 0.00 N ATOM 788 CA GLY A 55 -8.129 3.951 2.534 1.00 0.00 C ATOM 789 C GLY A 55 -6.645 3.807 2.857 1.00 0.00 C ATOM 790 O GLY A 55 -5.820 4.560 2.326 1.00 0.00 O ATOM 0 H GLY A 55 -9.054 2.083 2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.247 4.083 1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.510 4.855 3.009 1.00 0.00 H new ATOM 794 N GLU A 56 -6.306 2.880 3.776 1.00 0.00 N ATOM 795 CA GLU A 56 -4.912 2.546 4.122 1.00 0.00 C ATOM 796 C GLU A 56 -4.542 1.161 3.554 1.00 0.00 C ATOM 797 O GLU A 56 -5.400 0.267 3.450 1.00 0.00 O ATOM 798 CB GLU A 56 -4.699 2.575 5.668 1.00 0.00 C ATOM 799 CG GLU A 56 -3.232 2.364 6.105 1.00 0.00 C ATOM 800 CD GLU A 56 -3.027 2.362 7.630 1.00 0.00 C ATOM 801 OE1 GLU A 56 -2.799 3.447 8.215 1.00 0.00 O ATOM 802 OE2 GLU A 56 -3.073 1.276 8.248 1.00 0.00 O ATOM 0 H GLU A 56 -6.995 2.341 4.300 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.258 3.296 3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.048 3.532 6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.318 1.802 6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.876 1.417 5.700 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.617 3.150 5.667 1.00 0.00 H new ATOM 809 N ALA A 57 -3.263 1.012 3.177 1.00 0.00 N ATOM 810 CA ALA A 57 -2.682 -0.245 2.685 1.00 0.00 C ATOM 811 C ALA A 57 -1.193 -0.315 3.068 1.00 0.00 C ATOM 812 O ALA A 57 -0.606 0.687 3.460 1.00 0.00 O ATOM 813 CB ALA A 57 -2.846 -0.345 1.149 1.00 0.00 C ATOM 0 H ALA A 57 -2.590 1.778 3.207 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.206 -1.083 3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.412 -1.281 0.797 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.905 -0.318 0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.337 0.493 0.673 1.00 0.00 H new ATOM 819 N PHE A 58 -0.603 -1.514 2.993 1.00 0.00 N ATOM 820 CA PHE A 58 0.853 -1.720 3.047 1.00 0.00 C ATOM 821 C PHE A 58 1.305 -2.270 1.683 1.00 0.00 C ATOM 822 O PHE A 58 0.943 -3.393 1.324 1.00 0.00 O ATOM 823 CB PHE A 58 1.232 -2.729 4.173 1.00 0.00 C ATOM 824 CG PHE A 58 0.902 -2.285 5.595 1.00 0.00 C ATOM 825 CD1 PHE A 58 1.819 -1.547 6.333 1.00 0.00 C ATOM 826 CD2 PHE A 58 -0.310 -2.609 6.194 1.00 0.00 C ATOM 827 CE1 PHE A 58 1.535 -1.143 7.621 1.00 0.00 C ATOM 828 CE2 PHE A 58 -0.593 -2.204 7.485 1.00 0.00 C ATOM 829 CZ PHE A 58 0.331 -1.470 8.198 1.00 0.00 C ATOM 0 H PHE A 58 -1.129 -2.382 2.892 1.00 0.00 H new ATOM 0 HA PHE A 58 1.348 -0.774 3.267 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.721 -3.672 3.978 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.302 -2.928 4.113 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.769 -1.285 5.891 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.040 -3.184 5.644 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.261 -0.568 8.178 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.540 -2.463 7.936 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.110 -1.153 9.206 1.00 0.00 H new ATOM 839 N VAL A 59 2.076 -1.485 0.917 1.00 0.00 N ATOM 840 CA VAL A 59 2.607 -1.913 -0.389 1.00 0.00 C ATOM 841 C VAL A 59 4.010 -2.490 -0.179 1.00 0.00 C ATOM 842 O VAL A 59 4.912 -1.776 0.266 1.00 0.00 O ATOM 843 CB VAL A 59 2.644 -0.712 -1.408 1.00 0.00 C ATOM 844 CG1 VAL A 59 3.341 -1.101 -2.738 1.00 0.00 C ATOM 845 CG2 VAL A 59 1.215 -0.180 -1.667 1.00 0.00 C ATOM 0 H VAL A 59 2.349 -0.539 1.182 1.00 0.00 H new ATOM 0 HA VAL A 59 1.954 -2.675 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 59 3.237 0.084 -0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.344 -0.244 -3.411 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.367 -1.407 -2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.802 -1.926 -3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.258 0.649 -2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.599 -0.978 -2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.779 0.164 -0.729 1.00 0.00 H new ATOM 855 N GLU A 60 4.172 -3.794 -0.472 1.00 0.00 N ATOM 856 CA GLU A 60 5.460 -4.482 -0.322 1.00 0.00 C ATOM 857 C GLU A 60 6.291 -4.313 -1.598 1.00 0.00 C ATOM 858 O GLU A 60 5.775 -4.451 -2.708 1.00 0.00 O ATOM 859 CB GLU A 60 5.253 -5.982 0.010 1.00 0.00 C ATOM 860 CG GLU A 60 6.551 -6.753 0.332 1.00 0.00 C ATOM 861 CD GLU A 60 6.318 -7.995 1.216 1.00 0.00 C ATOM 862 OE1 GLU A 60 5.925 -9.056 0.688 1.00 0.00 O ATOM 863 OE2 GLU A 60 6.491 -7.898 2.454 1.00 0.00 O ATOM 0 H GLU A 60 3.420 -4.391 -0.816 1.00 0.00 H new ATOM 0 HA GLU A 60 6.001 -4.033 0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.577 -6.062 0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.760 -6.463 -0.835 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.023 -7.062 -0.601 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.248 -6.083 0.835 1.00 0.00 H new ATOM 870 N LEU A 61 7.587 -4.045 -1.416 1.00 0.00 N ATOM 871 CA LEU A 61 8.526 -3.721 -2.500 1.00 0.00 C ATOM 872 C LEU A 61 9.743 -4.659 -2.391 1.00 0.00 C ATOM 873 O LEU A 61 10.100 -5.089 -1.288 1.00 0.00 O ATOM 874 CB LEU A 61 8.943 -2.223 -2.389 1.00 0.00 C ATOM 875 CG LEU A 61 7.756 -1.194 -2.403 1.00 0.00 C ATOM 876 CD1 LEU A 61 8.214 0.232 -2.073 1.00 0.00 C ATOM 877 CD2 LEU A 61 6.993 -1.225 -3.739 1.00 0.00 C ATOM 0 H LEU A 61 8.024 -4.047 -0.494 1.00 0.00 H new ATOM 0 HA LEU A 61 8.061 -3.867 -3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.509 -2.088 -1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.616 -1.988 -3.214 1.00 0.00 H new ATOM 0 HG LEU A 61 7.072 -1.506 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.356 0.904 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.662 0.249 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.950 0.557 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.180 -0.500 -3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.674 -0.975 -4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.584 -2.222 -3.902 1.00 0.00 H new ATOM 889 N GLU A 62 10.352 -5.005 -3.532 1.00 0.00 N ATOM 890 CA GLU A 62 11.512 -5.925 -3.563 1.00 0.00 C ATOM 891 C GLU A 62 12.814 -5.221 -3.151 1.00 0.00 C ATOM 892 O GLU A 62 13.758 -5.866 -2.685 1.00 0.00 O ATOM 893 CB GLU A 62 11.652 -6.546 -4.968 1.00 0.00 C ATOM 894 CG GLU A 62 11.812 -5.528 -6.114 1.00 0.00 C ATOM 895 CD GLU A 62 11.799 -6.178 -7.506 1.00 0.00 C ATOM 896 OE1 GLU A 62 10.792 -6.827 -7.848 1.00 0.00 O ATOM 897 OE2 GLU A 62 12.766 -6.014 -8.277 1.00 0.00 O ATOM 0 H GLU A 62 10.066 -4.665 -4.450 1.00 0.00 H new ATOM 0 HA GLU A 62 11.331 -6.717 -2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.514 -7.213 -4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.774 -7.160 -5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.008 -4.795 -6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.748 -4.986 -5.982 1.00 0.00 H new ATOM 904 N SER A 63 12.856 -3.897 -3.331 1.00 0.00 N ATOM 905 CA SER A 63 14.042 -3.070 -3.035 1.00 0.00 C ATOM 906 C SER A 63 13.630 -1.814 -2.249 1.00 0.00 C ATOM 907 O SER A 63 12.551 -1.258 -2.482 1.00 0.00 O ATOM 908 CB SER A 63 14.749 -2.677 -4.355 1.00 0.00 C ATOM 909 OG SER A 63 15.051 -3.827 -5.139 1.00 0.00 O ATOM 0 H SER A 63 12.065 -3.361 -3.688 1.00 0.00 H new ATOM 0 HA SER A 63 14.736 -3.646 -2.423 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.111 -2.002 -4.925 1.00 0.00 H new ATOM 0 HB3 SER A 63 15.668 -2.135 -4.131 1.00 0.00 H new ATOM 0 HG SER A 63 15.495 -3.551 -5.968 1.00 0.00 H new ATOM 915 N GLU A 64 14.487 -1.378 -1.300 1.00 0.00 N ATOM 916 CA GLU A 64 14.239 -0.153 -0.512 1.00 0.00 C ATOM 917 C GLU A 64 14.547 1.125 -1.329 1.00 0.00 C ATOM 918 O GLU A 64 14.220 2.243 -0.912 1.00 0.00 O ATOM 919 CB GLU A 64 15.043 -0.173 0.810 1.00 0.00 C ATOM 920 CG GLU A 64 14.553 0.852 1.856 1.00 0.00 C ATOM 921 CD GLU A 64 15.262 0.764 3.212 1.00 0.00 C ATOM 922 OE1 GLU A 64 15.285 -0.334 3.812 1.00 0.00 O ATOM 923 OE2 GLU A 64 15.785 1.793 3.697 1.00 0.00 O ATOM 0 H GLU A 64 15.356 -1.857 -1.062 1.00 0.00 H new ATOM 0 HA GLU A 64 13.178 -0.133 -0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.989 -1.172 1.242 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.092 0.022 0.589 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.689 1.856 1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.483 0.712 2.010 1.00 0.00 H new ATOM 930 N ASP A 65 15.187 0.956 -2.495 1.00 0.00 N ATOM 931 CA ASP A 65 15.336 2.043 -3.479 1.00 0.00 C ATOM 932 C ASP A 65 13.950 2.419 -4.023 1.00 0.00 C ATOM 933 O ASP A 65 13.665 3.572 -4.309 1.00 0.00 O ATOM 934 CB ASP A 65 16.290 1.616 -4.623 1.00 0.00 C ATOM 935 CG ASP A 65 16.621 2.770 -5.591 1.00 0.00 C ATOM 936 OD1 ASP A 65 17.464 3.625 -5.241 1.00 0.00 O ATOM 937 OD2 ASP A 65 16.050 2.828 -6.697 1.00 0.00 O ATOM 0 H ASP A 65 15.612 0.074 -2.782 1.00 0.00 H new ATOM 0 HA ASP A 65 15.777 2.915 -2.997 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.215 1.232 -4.193 1.00 0.00 H new ATOM 0 HB3 ASP A 65 15.835 0.798 -5.182 1.00 0.00 H new ATOM 942 N GLU A 66 13.098 1.408 -4.162 1.00 0.00 N ATOM 943 CA GLU A 66 11.685 1.599 -4.511 1.00 0.00 C ATOM 944 C GLU A 66 10.896 2.284 -3.372 1.00 0.00 C ATOM 945 O GLU A 66 9.936 3.013 -3.635 1.00 0.00 O ATOM 946 CB GLU A 66 11.059 0.240 -4.901 1.00 0.00 C ATOM 947 CG GLU A 66 11.920 -0.596 -5.880 1.00 0.00 C ATOM 948 CD GLU A 66 12.415 0.197 -7.106 1.00 0.00 C ATOM 949 OE1 GLU A 66 11.577 0.613 -7.930 1.00 0.00 O ATOM 950 OE2 GLU A 66 13.640 0.378 -7.260 1.00 0.00 O ATOM 0 H GLU A 66 13.363 0.431 -4.037 1.00 0.00 H new ATOM 0 HA GLU A 66 11.629 2.270 -5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.889 -0.343 -3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.083 0.418 -5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.782 -0.993 -5.343 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.337 -1.451 -6.223 1.00 0.00 H new ATOM 957 N VAL A 67 11.308 2.032 -2.109 1.00 0.00 N ATOM 958 CA VAL A 67 10.718 2.672 -0.917 1.00 0.00 C ATOM 959 C VAL A 67 10.971 4.191 -0.935 1.00 0.00 C ATOM 960 O VAL A 67 10.023 4.960 -0.791 1.00 0.00 O ATOM 961 CB VAL A 67 11.270 2.027 0.414 1.00 0.00 C ATOM 962 CG1 VAL A 67 10.929 2.863 1.673 1.00 0.00 C ATOM 963 CG2 VAL A 67 10.781 0.560 0.573 1.00 0.00 C ATOM 0 H VAL A 67 12.060 1.378 -1.890 1.00 0.00 H new ATOM 0 HA VAL A 67 9.642 2.502 -0.945 1.00 0.00 H new ATOM 0 HB VAL A 67 12.356 2.022 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.334 2.371 2.557 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.366 3.857 1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.847 2.950 1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.177 0.143 1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.692 0.541 0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.131 -0.034 -0.272 1.00 0.00 H new ATOM 973 N LYS A 68 12.249 4.610 -1.117 1.00 0.00 N ATOM 974 CA LYS A 68 12.616 6.055 -1.165 1.00 0.00 C ATOM 975 C LYS A 68 11.774 6.818 -2.226 1.00 0.00 C ATOM 976 O LYS A 68 11.348 7.952 -1.994 1.00 0.00 O ATOM 977 CB LYS A 68 14.143 6.288 -1.413 1.00 0.00 C ATOM 978 CG LYS A 68 14.629 6.029 -2.850 1.00 0.00 C ATOM 979 CD LYS A 68 16.096 6.444 -3.104 1.00 0.00 C ATOM 980 CE LYS A 68 17.130 5.616 -2.319 1.00 0.00 C ATOM 981 NZ LYS A 68 18.526 6.026 -2.649 1.00 0.00 N ATOM 0 H LYS A 68 13.040 3.976 -1.232 1.00 0.00 H new ATOM 0 HA LYS A 68 12.386 6.456 -0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.383 7.317 -1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.705 5.644 -0.737 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.519 4.968 -3.074 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.984 6.570 -3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.308 6.354 -4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.215 7.496 -2.843 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.958 5.737 -1.250 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.998 4.558 -2.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.196 5.448 -2.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.698 5.887 -3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.659 7.029 -2.409 1.00 0.00 H new ATOM 995 N LEU A 69 11.532 6.148 -3.374 1.00 0.00 N ATOM 996 CA LEU A 69 10.695 6.660 -4.475 1.00 0.00 C ATOM 997 C LEU A 69 9.235 6.832 -4.022 1.00 0.00 C ATOM 998 O LEU A 69 8.655 7.897 -4.202 1.00 0.00 O ATOM 999 CB LEU A 69 10.801 5.691 -5.683 1.00 0.00 C ATOM 1000 CG LEU A 69 12.210 5.635 -6.364 1.00 0.00 C ATOM 1001 CD1 LEU A 69 12.382 4.367 -7.219 1.00 0.00 C ATOM 1002 CD2 LEU A 69 12.466 6.923 -7.180 1.00 0.00 C ATOM 0 H LEU A 69 11.919 5.223 -3.562 1.00 0.00 H new ATOM 0 HA LEU A 69 11.054 7.644 -4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.535 4.688 -5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.064 5.984 -6.431 1.00 0.00 H new ATOM 0 HG LEU A 69 12.964 5.581 -5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.373 4.367 -7.674 1.00 0.00 H new ATOM 0 HD12 LEU A 69 12.272 3.485 -6.588 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.623 4.350 -8.001 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.449 6.868 -7.647 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.703 7.022 -7.952 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.427 7.787 -6.517 1.00 0.00 H new ATOM 1014 N ALA A 70 8.682 5.769 -3.405 1.00 0.00 N ATOM 1015 CA ALA A 70 7.301 5.761 -2.856 1.00 0.00 C ATOM 1016 C ALA A 70 7.079 6.901 -1.830 1.00 0.00 C ATOM 1017 O ALA A 70 6.056 7.593 -1.874 1.00 0.00 O ATOM 1018 CB ALA A 70 6.999 4.385 -2.232 1.00 0.00 C ATOM 0 H ALA A 70 9.177 4.887 -3.270 1.00 0.00 H new ATOM 0 HA ALA A 70 6.607 5.940 -3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.986 4.382 -1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.089 3.612 -2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.708 4.186 -1.429 1.00 0.00 H new ATOM 1024 N LEU A 71 8.059 7.083 -0.917 1.00 0.00 N ATOM 1025 CA LEU A 71 8.083 8.182 0.081 1.00 0.00 C ATOM 1026 C LEU A 71 8.083 9.563 -0.601 1.00 0.00 C ATOM 1027 O LEU A 71 7.477 10.509 -0.101 1.00 0.00 O ATOM 1028 CB LEU A 71 9.336 8.045 0.998 1.00 0.00 C ATOM 1029 CG LEU A 71 9.434 6.744 1.858 1.00 0.00 C ATOM 1030 CD1 LEU A 71 10.780 6.680 2.619 1.00 0.00 C ATOM 1031 CD2 LEU A 71 8.228 6.611 2.812 1.00 0.00 C ATOM 0 H LEU A 71 8.867 6.464 -0.850 1.00 0.00 H new ATOM 0 HA LEU A 71 7.179 8.103 0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.226 8.107 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.361 8.902 1.672 1.00 0.00 H new ATOM 0 HG LEU A 71 9.403 5.891 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.821 5.765 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.603 6.688 1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.865 7.542 3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.326 5.696 3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.199 7.469 3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.307 6.574 2.231 1.00 0.00 H new ATOM 1043 N LYS A 72 8.753 9.655 -1.757 1.00 0.00 N ATOM 1044 CA LYS A 72 8.788 10.899 -2.560 1.00 0.00 C ATOM 1045 C LYS A 72 7.470 11.101 -3.336 1.00 0.00 C ATOM 1046 O LYS A 72 7.192 12.205 -3.803 1.00 0.00 O ATOM 1047 CB LYS A 72 10.001 10.907 -3.522 1.00 0.00 C ATOM 1048 CG LYS A 72 11.367 11.081 -2.820 1.00 0.00 C ATOM 1049 CD LYS A 72 12.545 11.176 -3.818 1.00 0.00 C ATOM 1050 CE LYS A 72 12.792 9.870 -4.593 1.00 0.00 C ATOM 1051 NZ LYS A 72 13.804 10.039 -5.660 1.00 0.00 N ATOM 0 H LYS A 72 9.282 8.884 -2.164 1.00 0.00 H new ATOM 0 HA LYS A 72 8.900 11.734 -1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.011 9.973 -4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.872 11.713 -4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.343 11.981 -2.206 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.534 10.240 -2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.347 11.980 -4.527 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.451 11.445 -3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.121 9.095 -3.901 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.855 9.527 -5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.076 9.106 -6.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.405 10.615 -6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.643 10.515 -5.271 1.00 0.00 H new ATOM 1065 N LYS A 73 6.678 10.027 -3.488 1.00 0.00 N ATOM 1066 CA LYS A 73 5.346 10.085 -4.130 1.00 0.00 C ATOM 1067 C LYS A 73 4.238 10.386 -3.099 1.00 0.00 C ATOM 1068 O LYS A 73 3.051 10.382 -3.446 1.00 0.00 O ATOM 1069 CB LYS A 73 5.054 8.757 -4.877 1.00 0.00 C ATOM 1070 CG LYS A 73 6.096 8.384 -5.958 1.00 0.00 C ATOM 1071 CD LYS A 73 5.703 7.125 -6.753 1.00 0.00 C ATOM 1072 CE LYS A 73 4.417 7.331 -7.564 1.00 0.00 C ATOM 1073 NZ LYS A 73 4.573 8.361 -8.627 1.00 0.00 N ATOM 0 H LYS A 73 6.939 9.093 -3.171 1.00 0.00 H new ATOM 0 HA LYS A 73 5.353 10.901 -4.853 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.002 7.949 -4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.073 8.827 -5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.215 9.221 -6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.064 8.222 -5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.516 6.854 -7.427 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.567 6.290 -6.065 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.123 6.385 -8.019 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.611 7.626 -6.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.919 9.149 -8.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.551 8.715 -8.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.358 7.939 -9.553 1.00 0.00 H new ATOM 1087 N ASP A 74 4.645 10.614 -1.827 1.00 0.00 N ATOM 1088 CA ASP A 74 3.746 11.079 -0.742 1.00 0.00 C ATOM 1089 C ASP A 74 2.946 12.333 -1.158 1.00 0.00 C ATOM 1090 O ASP A 74 1.712 12.309 -1.199 1.00 0.00 O ATOM 1091 CB ASP A 74 4.593 11.363 0.529 1.00 0.00 C ATOM 1092 CG ASP A 74 3.855 12.089 1.674 1.00 0.00 C ATOM 1093 OD1 ASP A 74 3.171 11.439 2.477 1.00 0.00 O ATOM 1094 OD2 ASP A 74 3.997 13.322 1.785 1.00 0.00 O ATOM 0 H ASP A 74 5.609 10.480 -1.523 1.00 0.00 H new ATOM 0 HA ASP A 74 3.018 10.295 -0.532 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.973 10.415 0.910 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.458 11.961 0.241 1.00 0.00 H new ATOM 1099 N ARG A 75 3.659 13.416 -1.506 1.00 0.00 N ATOM 1100 CA ARG A 75 3.027 14.729 -1.766 1.00 0.00 C ATOM 1101 C ARG A 75 2.394 14.794 -3.170 1.00 0.00 C ATOM 1102 O ARG A 75 1.668 15.746 -3.477 1.00 0.00 O ATOM 1103 CB ARG A 75 4.049 15.872 -1.519 1.00 0.00 C ATOM 1104 CG ARG A 75 4.590 15.886 -0.071 1.00 0.00 C ATOM 1105 CD ARG A 75 5.589 17.008 0.221 1.00 0.00 C ATOM 1106 NE ARG A 75 6.113 16.905 1.597 1.00 0.00 N ATOM 1107 CZ ARG A 75 7.192 17.538 2.082 1.00 0.00 C ATOM 1108 NH1 ARG A 75 7.919 18.351 1.323 1.00 0.00 N ATOM 1109 NH2 ARG A 75 7.546 17.332 3.341 1.00 0.00 N ATOM 0 H ARG A 75 4.673 13.413 -1.615 1.00 0.00 H new ATOM 0 HA ARG A 75 2.204 14.862 -1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.883 15.765 -2.213 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.576 16.830 -1.735 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.749 15.977 0.617 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.068 14.928 0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.413 16.960 -0.490 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.105 17.975 0.084 1.00 0.00 H new ATOM 0 HE ARG A 75 5.607 16.295 2.240 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.661 18.505 0.348 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.735 18.821 1.715 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.001 16.700 3.927 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.364 17.806 3.725 1.00 0.00 H new ATOM 1123 N GLU A 76 2.693 13.799 -4.027 1.00 0.00 N ATOM 1124 CA GLU A 76 1.928 13.562 -5.264 1.00 0.00 C ATOM 1125 C GLU A 76 0.446 13.225 -4.963 1.00 0.00 C ATOM 1126 O GLU A 76 0.095 12.746 -3.873 1.00 0.00 O ATOM 1127 CB GLU A 76 2.543 12.416 -6.103 1.00 0.00 C ATOM 1128 CG GLU A 76 3.894 12.724 -6.789 1.00 0.00 C ATOM 1129 CD GLU A 76 4.363 11.594 -7.729 1.00 0.00 C ATOM 1130 OE1 GLU A 76 3.531 11.081 -8.516 1.00 0.00 O ATOM 1131 OE2 GLU A 76 5.555 11.212 -7.702 1.00 0.00 O ATOM 0 H GLU A 76 3.462 13.145 -3.883 1.00 0.00 H new ATOM 0 HA GLU A 76 1.975 14.489 -5.836 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.677 11.550 -5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.825 12.130 -6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.804 13.649 -7.358 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.653 12.893 -6.025 1.00 0.00 H new ATOM 1138 N THR A 77 -0.396 13.467 -5.970 1.00 0.00 N ATOM 1139 CA THR A 77 -1.827 13.160 -5.926 1.00 0.00 C ATOM 1140 C THR A 77 -2.066 11.770 -6.540 1.00 0.00 C ATOM 1141 O THR A 77 -1.664 11.529 -7.686 1.00 0.00 O ATOM 1142 CB THR A 77 -2.651 14.251 -6.685 1.00 0.00 C ATOM 1143 OG1 THR A 77 -2.161 14.397 -8.030 1.00 0.00 O ATOM 1144 CG2 THR A 77 -2.584 15.611 -5.968 1.00 0.00 C ATOM 0 H THR A 77 -0.099 13.887 -6.851 1.00 0.00 H new ATOM 0 HA THR A 77 -2.162 13.156 -4.889 1.00 0.00 H new ATOM 0 HB THR A 77 -3.690 13.923 -6.704 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.871 13.524 -8.369 1.00 0.00 H new ATOM 0 HG21 THR A 77 -3.168 16.345 -6.524 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.990 15.512 -4.961 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.547 15.941 -5.910 1.00 0.00 H new ATOM 1152 N MET A 78 -2.680 10.857 -5.756 1.00 0.00 N ATOM 1153 CA MET A 78 -3.009 9.484 -6.184 1.00 0.00 C ATOM 1154 C MET A 78 -4.002 9.533 -7.368 1.00 0.00 C ATOM 1155 O MET A 78 -3.613 9.336 -8.527 1.00 0.00 O ATOM 1156 CB MET A 78 -3.589 8.688 -4.972 1.00 0.00 C ATOM 1157 CG MET A 78 -3.608 7.166 -5.129 1.00 0.00 C ATOM 1158 SD MET A 78 -4.782 6.605 -6.370 1.00 0.00 S ATOM 1159 CE MET A 78 -4.548 4.839 -6.270 1.00 0.00 C ATOM 0 H MET A 78 -2.964 11.058 -4.797 1.00 0.00 H new ATOM 0 HA MET A 78 -2.111 8.970 -6.525 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.007 8.937 -4.085 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.608 9.029 -4.790 1.00 0.00 H new ATOM 0 HG2 MET A 78 -2.610 6.821 -5.398 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.855 6.710 -4.170 1.00 0.00 H new ATOM 0 HE1 MET A 78 -5.070 4.355 -7.096 1.00 0.00 H new ATOM 0 HE2 MET A 78 -3.484 4.609 -6.329 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.947 4.472 -5.324 1.00 0.00 H new ATOM 1169 N GLY A 79 -5.282 9.796 -7.056 1.00 0.00 N ATOM 1170 CA GLY A 79 -6.291 10.163 -8.044 1.00 0.00 C ATOM 1171 C GLY A 79 -7.030 11.385 -7.545 1.00 0.00 C ATOM 1172 O GLY A 79 -8.016 11.247 -6.823 1.00 0.00 O ATOM 0 H GLY A 79 -5.641 9.758 -6.102 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.822 10.371 -9.006 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.986 9.338 -8.200 1.00 0.00 H new ATOM 1176 N HIS A 80 -6.474 12.577 -7.875 1.00 0.00 N ATOM 1177 CA HIS A 80 -6.945 13.912 -7.414 1.00 0.00 C ATOM 1178 C HIS A 80 -6.491 14.221 -5.963 1.00 0.00 C ATOM 1179 O HIS A 80 -5.913 15.281 -5.710 1.00 0.00 O ATOM 1180 CB HIS A 80 -8.482 14.095 -7.585 1.00 0.00 C ATOM 1181 CG HIS A 80 -9.029 15.417 -7.107 1.00 0.00 C ATOM 1182 ND1 HIS A 80 -9.975 15.515 -6.113 1.00 0.00 N ATOM 1183 CD2 HIS A 80 -8.767 16.690 -7.499 1.00 0.00 C ATOM 1184 CE1 HIS A 80 -10.275 16.782 -5.912 1.00 0.00 C ATOM 1185 NE2 HIS A 80 -9.554 17.515 -6.736 1.00 0.00 N ATOM 0 H HIS A 80 -5.661 12.641 -8.488 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.468 14.644 -8.065 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -8.731 13.977 -8.640 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.989 13.294 -7.047 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.071 16.995 -8.266 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.990 17.156 -5.194 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.577 18.533 -6.797 1.00 0.00 H new ATOM 1194 N ARG A 81 -6.767 13.304 -5.020 1.00 0.00 N ATOM 1195 CA ARG A 81 -6.399 13.479 -3.592 1.00 0.00 C ATOM 1196 C ARG A 81 -4.913 13.165 -3.370 1.00 0.00 C ATOM 1197 O ARG A 81 -4.337 12.365 -4.103 1.00 0.00 O ATOM 1198 CB ARG A 81 -7.277 12.575 -2.680 1.00 0.00 C ATOM 1199 CG ARG A 81 -8.793 12.703 -2.932 1.00 0.00 C ATOM 1200 CD ARG A 81 -9.639 12.023 -1.841 1.00 0.00 C ATOM 1201 NE ARG A 81 -9.252 10.620 -1.581 1.00 0.00 N ATOM 1202 CZ ARG A 81 -9.899 9.795 -0.746 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -11.043 10.161 -0.177 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -9.407 8.597 -0.512 1.00 0.00 N ATOM 0 H ARG A 81 -7.247 12.426 -5.217 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.579 14.521 -3.326 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.982 11.536 -2.826 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.071 12.821 -1.638 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.060 13.758 -2.987 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.034 12.263 -3.899 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -9.550 12.593 -0.916 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -10.688 12.053 -2.135 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.436 10.254 -2.071 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.439 11.080 -0.374 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.525 9.523 0.456 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.541 8.304 -0.964 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.892 7.962 0.122 1.00 0.00 H new ATOM 1218 N TYR A 82 -4.335 13.761 -2.320 1.00 0.00 N ATOM 1219 CA TYR A 82 -2.903 13.618 -1.983 1.00 0.00 C ATOM 1220 C TYR A 82 -2.698 12.328 -1.161 1.00 0.00 C ATOM 1221 O TYR A 82 -3.612 11.885 -0.462 1.00 0.00 O ATOM 1222 CB TYR A 82 -2.418 14.850 -1.175 1.00 0.00 C ATOM 1223 CG TYR A 82 -2.423 16.184 -1.944 1.00 0.00 C ATOM 1224 CD1 TYR A 82 -3.589 16.938 -2.088 1.00 0.00 C ATOM 1225 CD2 TYR A 82 -1.250 16.690 -2.508 1.00 0.00 C ATOM 1226 CE1 TYR A 82 -3.584 18.144 -2.769 1.00 0.00 C ATOM 1227 CE2 TYR A 82 -1.240 17.891 -3.188 1.00 0.00 C ATOM 1228 CZ TYR A 82 -2.408 18.615 -3.318 1.00 0.00 C ATOM 1229 OH TYR A 82 -2.397 19.818 -3.992 1.00 0.00 O ATOM 0 H TYR A 82 -4.846 14.361 -1.673 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.320 13.557 -2.902 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.048 14.956 -0.292 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.405 14.657 -0.822 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.512 16.574 -1.661 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -0.332 16.130 -2.410 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.496 18.714 -2.870 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -0.321 18.263 -3.617 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.491 20.004 -4.315 1.00 0.00 H new ATOM 1239 N VAL A 83 -1.503 11.726 -1.250 1.00 0.00 N ATOM 1240 CA VAL A 83 -1.178 10.462 -0.554 1.00 0.00 C ATOM 1241 C VAL A 83 -0.443 10.735 0.785 1.00 0.00 C ATOM 1242 O VAL A 83 0.136 11.804 0.976 1.00 0.00 O ATOM 1243 CB VAL A 83 -0.267 9.557 -1.476 1.00 0.00 C ATOM 1244 CG1 VAL A 83 -0.137 8.131 -0.925 1.00 0.00 C ATOM 1245 CG2 VAL A 83 -0.782 9.513 -2.925 1.00 0.00 C ATOM 0 H VAL A 83 -0.732 12.097 -1.805 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.114 9.946 -0.339 1.00 0.00 H new ATOM 0 HB VAL A 83 0.721 10.018 -1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.497 7.541 -1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.309 8.164 0.069 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.124 7.673 -0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.127 8.881 -3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.793 9.106 -2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.791 10.521 -3.339 1.00 0.00 H new ATOM 1255 N GLU A 84 -0.512 9.772 1.719 1.00 0.00 N ATOM 1256 CA GLU A 84 0.416 9.678 2.859 1.00 0.00 C ATOM 1257 C GLU A 84 1.212 8.376 2.684 1.00 0.00 C ATOM 1258 O GLU A 84 0.627 7.289 2.734 1.00 0.00 O ATOM 1259 CB GLU A 84 -0.368 9.641 4.200 1.00 0.00 C ATOM 1260 CG GLU A 84 -1.205 10.894 4.515 1.00 0.00 C ATOM 1261 CD GLU A 84 -0.354 12.106 4.926 1.00 0.00 C ATOM 1262 OE1 GLU A 84 0.187 12.099 6.057 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -0.223 13.063 4.143 1.00 0.00 O ATOM 0 H GLU A 84 -1.216 9.034 1.705 1.00 0.00 H new ATOM 0 HA GLU A 84 1.077 10.544 2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.031 8.776 4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.343 9.487 5.012 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.798 11.156 3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.906 10.662 5.317 1.00 0.00 H new ATOM 1270 N VAL A 85 2.531 8.473 2.473 1.00 0.00 N ATOM 1271 CA VAL A 85 3.401 7.293 2.373 1.00 0.00 C ATOM 1272 C VAL A 85 4.425 7.325 3.504 1.00 0.00 C ATOM 1273 O VAL A 85 5.236 8.253 3.588 1.00 0.00 O ATOM 1274 CB VAL A 85 4.159 7.184 0.996 1.00 0.00 C ATOM 1275 CG1 VAL A 85 4.944 5.846 0.900 1.00 0.00 C ATOM 1276 CG2 VAL A 85 3.202 7.344 -0.204 1.00 0.00 C ATOM 0 H VAL A 85 3.021 9.361 2.368 1.00 0.00 H new ATOM 0 HA VAL A 85 2.753 6.420 2.448 1.00 0.00 H new ATOM 0 HB VAL A 85 4.872 8.007 0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.459 5.794 -0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.675 5.794 1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.250 5.010 0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.766 7.262 -1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.443 6.563 -0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.720 8.320 -0.157 1.00 0.00 H new ATOM 1286 N PHE A 86 4.365 6.319 4.378 1.00 0.00 N ATOM 1287 CA PHE A 86 5.357 6.098 5.442 1.00 0.00 C ATOM 1288 C PHE A 86 6.139 4.819 5.095 1.00 0.00 C ATOM 1289 O PHE A 86 5.877 4.200 4.056 1.00 0.00 O ATOM 1290 CB PHE A 86 4.649 5.951 6.820 1.00 0.00 C ATOM 1291 CG PHE A 86 3.799 7.153 7.227 1.00 0.00 C ATOM 1292 CD1 PHE A 86 4.364 8.229 7.910 1.00 0.00 C ATOM 1293 CD2 PHE A 86 2.437 7.214 6.917 1.00 0.00 C ATOM 1294 CE1 PHE A 86 3.602 9.318 8.274 1.00 0.00 C ATOM 1295 CE2 PHE A 86 1.675 8.305 7.284 1.00 0.00 C ATOM 1296 CZ PHE A 86 2.259 9.357 7.958 1.00 0.00 C ATOM 0 H PHE A 86 3.619 5.624 4.370 1.00 0.00 H new ATOM 0 HA PHE A 86 6.037 6.947 5.511 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.015 5.065 6.796 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.405 5.781 7.586 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.415 8.209 8.158 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.975 6.397 6.383 1.00 0.00 H new ATOM 0 HE1 PHE A 86 4.056 10.141 8.806 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.623 8.335 7.044 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.664 10.213 8.239 1.00 0.00 H new ATOM 1306 N LYS A 87 7.078 4.404 5.958 1.00 0.00 N ATOM 1307 CA LYS A 87 7.832 3.154 5.757 1.00 0.00 C ATOM 1308 C LYS A 87 7.371 2.143 6.811 1.00 0.00 C ATOM 1309 O LYS A 87 7.208 2.488 7.988 1.00 0.00 O ATOM 1310 CB LYS A 87 9.372 3.354 5.842 1.00 0.00 C ATOM 1311 CG LYS A 87 10.164 2.053 5.539 1.00 0.00 C ATOM 1312 CD LYS A 87 11.677 2.158 5.804 1.00 0.00 C ATOM 1313 CE LYS A 87 12.386 0.810 5.581 1.00 0.00 C ATOM 1314 NZ LYS A 87 13.798 0.837 6.028 1.00 0.00 N ATOM 0 H LYS A 87 7.335 4.915 6.803 1.00 0.00 H new ATOM 0 HA LYS A 87 7.629 2.791 4.750 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.673 4.130 5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.633 3.710 6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.756 1.244 6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.008 1.781 4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.111 2.911 5.146 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.845 2.493 6.827 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.852 0.027 6.120 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.347 0.552 4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.345 0.132 5.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.197 1.783 5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.845 0.616 7.043 1.00 0.00 H new ATOM 1328 N SER A 88 7.149 0.912 6.365 1.00 0.00 N ATOM 1329 CA SER A 88 6.682 -0.190 7.204 1.00 0.00 C ATOM 1330 C SER A 88 7.572 -1.433 7.000 1.00 0.00 C ATOM 1331 O SER A 88 8.703 -1.328 6.490 1.00 0.00 O ATOM 1332 CB SER A 88 5.198 -0.455 6.853 1.00 0.00 C ATOM 1333 OG SER A 88 4.402 0.697 7.095 1.00 0.00 O ATOM 0 H SER A 88 7.291 0.645 5.391 1.00 0.00 H new ATOM 0 HA SER A 88 6.753 0.063 8.262 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.115 -0.745 5.806 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.824 -1.290 7.445 1.00 0.00 H new ATOM 0 HG SER A 88 4.064 0.674 8.015 1.00 0.00 H new ATOM 1339 N ASN A 89 7.041 -2.602 7.380 1.00 0.00 N ATOM 1340 CA ASN A 89 7.779 -3.872 7.427 1.00 0.00 C ATOM 1341 C ASN A 89 6.748 -5.029 7.429 1.00 0.00 C ATOM 1342 O ASN A 89 5.570 -4.814 7.751 1.00 0.00 O ATOM 1343 CB ASN A 89 8.710 -3.880 8.685 1.00 0.00 C ATOM 1344 CG ASN A 89 9.558 -5.139 8.874 1.00 0.00 C ATOM 1345 OD1 ASN A 89 9.919 -5.819 7.915 1.00 0.00 O ATOM 1346 ND2 ASN A 89 9.868 -5.466 10.120 1.00 0.00 N ATOM 0 H ASN A 89 6.067 -2.694 7.669 1.00 0.00 H new ATOM 0 HA ASN A 89 8.423 -3.999 6.557 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.377 -3.020 8.626 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.092 -3.744 9.573 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.421 -6.303 10.305 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.553 -4.881 10.894 1.00 0.00 H new ATOM 1353 N ASN A 90 7.191 -6.243 7.067 1.00 0.00 N ATOM 1354 CA ASN A 90 6.319 -7.436 6.907 1.00 0.00 C ATOM 1355 C ASN A 90 5.630 -7.869 8.231 1.00 0.00 C ATOM 1356 O ASN A 90 4.579 -8.522 8.206 1.00 0.00 O ATOM 1357 CB ASN A 90 7.146 -8.615 6.311 1.00 0.00 C ATOM 1358 CG ASN A 90 8.242 -9.174 7.242 1.00 0.00 C ATOM 1359 OD1 ASN A 90 8.784 -8.467 8.097 1.00 0.00 O ATOM 1360 ND2 ASN A 90 8.588 -10.447 7.066 1.00 0.00 N ATOM 0 H ASN A 90 8.174 -6.435 6.873 1.00 0.00 H new ATOM 0 HA ASN A 90 5.518 -7.160 6.221 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.463 -9.424 6.051 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.612 -8.281 5.384 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.318 -10.862 7.645 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.123 -11.008 6.352 1.00 0.00 H new ATOM 1367 N VAL A 91 6.239 -7.492 9.372 1.00 0.00 N ATOM 1368 CA VAL A 91 5.750 -7.852 10.717 1.00 0.00 C ATOM 1369 C VAL A 91 4.378 -7.204 10.994 1.00 0.00 C ATOM 1370 O VAL A 91 3.418 -7.898 11.343 1.00 0.00 O ATOM 1371 CB VAL A 91 6.775 -7.437 11.839 1.00 0.00 C ATOM 1372 CG1 VAL A 91 6.287 -7.862 13.257 1.00 0.00 C ATOM 1373 CG2 VAL A 91 8.187 -8.003 11.534 1.00 0.00 C ATOM 0 H VAL A 91 7.088 -6.927 9.387 1.00 0.00 H new ATOM 0 HA VAL A 91 5.642 -8.936 10.740 1.00 0.00 H new ATOM 0 HB VAL A 91 6.840 -6.349 11.838 1.00 0.00 H new ATOM 0 HG11 VAL A 91 7.023 -7.557 14.001 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.332 -7.382 13.472 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.164 -8.945 13.290 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.877 -7.703 12.323 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.140 -9.091 11.487 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.537 -7.613 10.578 1.00 0.00 H new ATOM 1383 N GLU A 92 4.292 -5.877 10.784 1.00 0.00 N ATOM 1384 CA GLU A 92 3.063 -5.100 11.045 1.00 0.00 C ATOM 1385 C GLU A 92 2.108 -5.179 9.852 1.00 0.00 C ATOM 1386 O GLU A 92 0.929 -4.915 10.005 1.00 0.00 O ATOM 1387 CB GLU A 92 3.341 -3.610 11.405 1.00 0.00 C ATOM 1388 CG GLU A 92 4.049 -2.759 10.306 1.00 0.00 C ATOM 1389 CD GLU A 92 5.582 -2.703 10.462 1.00 0.00 C ATOM 1390 OE1 GLU A 92 6.201 -3.760 10.716 1.00 0.00 O ATOM 1391 OE2 GLU A 92 6.168 -1.607 10.352 1.00 0.00 O ATOM 0 H GLU A 92 5.067 -5.315 10.431 1.00 0.00 H new ATOM 0 HA GLU A 92 2.598 -5.556 11.919 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.392 -3.133 11.650 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.953 -3.583 12.307 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.807 -3.171 9.327 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.652 -1.744 10.332 1.00 0.00 H new ATOM 1398 N MET A 93 2.627 -5.520 8.659 1.00 0.00 N ATOM 1399 CA MET A 93 1.771 -5.821 7.497 1.00 0.00 C ATOM 1400 C MET A 93 0.867 -7.010 7.845 1.00 0.00 C ATOM 1401 O MET A 93 -0.359 -6.897 7.813 1.00 0.00 O ATOM 1402 CB MET A 93 2.608 -6.138 6.235 1.00 0.00 C ATOM 1403 CG MET A 93 1.765 -6.573 5.027 1.00 0.00 C ATOM 1404 SD MET A 93 2.771 -7.027 3.606 1.00 0.00 S ATOM 1405 CE MET A 93 3.514 -5.463 3.182 1.00 0.00 C ATOM 0 H MET A 93 3.627 -5.594 8.474 1.00 0.00 H new ATOM 0 HA MET A 93 1.168 -4.942 7.271 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.188 -5.256 5.963 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.321 -6.927 6.472 1.00 0.00 H new ATOM 0 HG2 MET A 93 1.141 -7.420 5.311 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.093 -5.762 4.747 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.057 -5.078 2.271 1.00 0.00 H new ATOM 0 HE2 MET A 93 3.357 -4.753 3.994 1.00 0.00 H new ATOM 0 HE3 MET A 93 4.583 -5.600 3.021 1.00 0.00 H new ATOM 1415 N ASP A 94 1.513 -8.127 8.244 1.00 0.00 N ATOM 1416 CA ASP A 94 0.810 -9.350 8.668 1.00 0.00 C ATOM 1417 C ASP A 94 -0.048 -9.087 9.918 1.00 0.00 C ATOM 1418 O ASP A 94 -1.181 -9.553 9.982 1.00 0.00 O ATOM 1419 CB ASP A 94 1.805 -10.516 8.937 1.00 0.00 C ATOM 1420 CG ASP A 94 1.107 -11.802 9.447 1.00 0.00 C ATOM 1421 OD1 ASP A 94 0.376 -12.443 8.660 1.00 0.00 O ATOM 1422 OD2 ASP A 94 1.285 -12.178 10.629 1.00 0.00 O ATOM 0 H ASP A 94 2.530 -8.203 8.280 1.00 0.00 H new ATOM 0 HA ASP A 94 0.154 -9.646 7.849 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.347 -10.743 8.019 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.543 -10.194 9.672 1.00 0.00 H new ATOM 1427 N TRP A 95 0.498 -8.308 10.882 1.00 0.00 N ATOM 1428 CA TRP A 95 -0.189 -7.992 12.151 1.00 0.00 C ATOM 1429 C TRP A 95 -1.524 -7.292 11.892 1.00 0.00 C ATOM 1430 O TRP A 95 -2.535 -7.732 12.376 1.00 0.00 O ATOM 1431 CB TRP A 95 0.702 -7.104 13.072 1.00 0.00 C ATOM 1432 CG TRP A 95 0.036 -6.687 14.377 1.00 0.00 C ATOM 1433 CD1 TRP A 95 -0.639 -5.517 14.638 1.00 0.00 C ATOM 1434 CD2 TRP A 95 -0.033 -7.454 15.585 1.00 0.00 C ATOM 1435 NE1 TRP A 95 -1.127 -5.530 15.921 1.00 0.00 N ATOM 1436 CE2 TRP A 95 -0.758 -6.702 16.522 1.00 0.00 C ATOM 1437 CE3 TRP A 95 0.453 -8.707 15.956 1.00 0.00 C ATOM 1438 CZ2 TRP A 95 -1.009 -7.166 17.810 1.00 0.00 C ATOM 1439 CZ3 TRP A 95 0.207 -9.169 17.238 1.00 0.00 C ATOM 1440 CH2 TRP A 95 -0.520 -8.396 18.153 1.00 0.00 C ATOM 0 H TRP A 95 1.422 -7.884 10.800 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.379 -8.937 12.660 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.619 -7.646 13.303 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.991 -6.208 12.523 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -0.766 -4.706 13.936 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.675 -4.787 16.355 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.013 -9.308 15.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -1.572 -6.573 18.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.580 -10.138 17.536 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -0.697 -8.779 19.147 1.00 0.00 H new ATOM 1451 N VAL A 96 -1.494 -6.205 11.123 1.00 0.00 N ATOM 1452 CA VAL A 96 -2.668 -5.335 10.894 1.00 0.00 C ATOM 1453 C VAL A 96 -3.709 -5.999 9.942 1.00 0.00 C ATOM 1454 O VAL A 96 -4.901 -5.701 10.028 1.00 0.00 O ATOM 1455 CB VAL A 96 -2.215 -3.911 10.385 1.00 0.00 C ATOM 1456 CG1 VAL A 96 -3.424 -2.972 10.117 1.00 0.00 C ATOM 1457 CG2 VAL A 96 -1.222 -3.258 11.396 1.00 0.00 C ATOM 0 H VAL A 96 -0.655 -5.893 10.634 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.175 -5.197 11.849 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.704 -4.055 9.433 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.063 -2.004 9.769 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.067 -3.415 9.356 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.991 -2.838 11.038 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.921 -2.277 11.028 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.709 -3.148 12.365 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.342 -3.892 11.502 1.00 0.00 H new ATOM 1467 N LEU A 97 -3.254 -6.922 9.066 1.00 0.00 N ATOM 1468 CA LEU A 97 -4.163 -7.707 8.181 1.00 0.00 C ATOM 1469 C LEU A 97 -4.871 -8.836 8.970 1.00 0.00 C ATOM 1470 O LEU A 97 -6.074 -9.045 8.819 1.00 0.00 O ATOM 1471 CB LEU A 97 -3.378 -8.306 6.983 1.00 0.00 C ATOM 1472 CG LEU A 97 -2.872 -7.286 5.913 1.00 0.00 C ATOM 1473 CD1 LEU A 97 -1.908 -7.968 4.924 1.00 0.00 C ATOM 1474 CD2 LEU A 97 -4.050 -6.600 5.182 1.00 0.00 C ATOM 0 H LEU A 97 -2.266 -7.146 8.948 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.924 -7.026 7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.517 -8.848 7.374 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.016 -9.037 6.486 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.319 -6.502 6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.568 -7.240 4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.050 -8.364 5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.424 -8.783 4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.661 -5.897 4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.655 -7.354 4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.665 -6.064 5.905 1.00 0.00 H new ATOM 1486 N LYS A 98 -4.098 -9.535 9.814 1.00 0.00 N ATOM 1487 CA LYS A 98 -4.558 -10.726 10.581 1.00 0.00 C ATOM 1488 C LYS A 98 -5.298 -10.296 11.863 1.00 0.00 C ATOM 1489 O LYS A 98 -6.246 -10.944 12.313 1.00 0.00 O ATOM 1490 CB LYS A 98 -3.314 -11.599 10.924 1.00 0.00 C ATOM 1491 CG LYS A 98 -3.600 -12.916 11.672 1.00 0.00 C ATOM 1492 CD LYS A 98 -2.322 -13.762 11.888 1.00 0.00 C ATOM 1493 CE LYS A 98 -2.611 -15.109 12.568 1.00 0.00 C ATOM 1494 NZ LYS A 98 -1.371 -15.907 12.749 1.00 0.00 N ATOM 0 H LYS A 98 -3.123 -9.295 9.993 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.259 -11.305 9.981 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.794 -11.837 9.996 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.631 -11.002 11.528 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.051 -12.691 12.638 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -4.328 -13.500 11.109 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.843 -13.941 10.926 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.615 -13.197 12.496 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.077 -14.935 13.538 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.324 -15.675 11.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.603 -16.809 13.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.940 -16.094 11.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.701 -15.377 13.342 1.00 0.00 H new ATOM 1508 N HIS A 99 -4.845 -9.174 12.411 1.00 0.00 N ATOM 1509 CA HIS A 99 -5.347 -8.576 13.650 1.00 0.00 C ATOM 1510 C HIS A 99 -5.489 -7.072 13.407 1.00 0.00 C ATOM 1511 O HIS A 99 -4.543 -6.296 13.609 1.00 0.00 O ATOM 1512 CB HIS A 99 -4.387 -8.869 14.837 1.00 0.00 C ATOM 1513 CG HIS A 99 -4.743 -8.127 16.104 1.00 0.00 C ATOM 1514 ND1 HIS A 99 -4.219 -6.887 16.410 1.00 0.00 N ATOM 1515 CD2 HIS A 99 -5.601 -8.430 17.101 1.00 0.00 C ATOM 1516 CE1 HIS A 99 -4.746 -6.460 17.538 1.00 0.00 C ATOM 1517 NE2 HIS A 99 -5.586 -7.373 17.977 1.00 0.00 N ATOM 0 H HIS A 99 -4.089 -8.633 11.991 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.312 -9.006 13.918 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.391 -9.940 15.040 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.371 -8.604 14.545 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.188 -9.332 17.192 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -4.526 -5.520 18.021 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -6.138 -7.306 18.832 1.00 0.00 H new