USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 706 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 20 GLN : amide:sc= 0.147 X(o=0.3,f=-0.0092) USER MOD Set 1.2: A 90 TYR OH : rot 82:sc= 0.156 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 164:sc= -5.39! USER MOD Single : A 13 SER OG : rot 117:sc= -0.0113 USER MOD Single : A 14 HIS : no HD1:sc= -4.83! C(o=-4.8!,f=-4.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.217 X(o=-0.22,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -126:sc= -0.967 (180deg=-4.1!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -121:sc= -3.22! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 38:sc= 0.553 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -119:sc= 0 (180deg=-0.0299) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 81 SER OG : rot 120:sc= -0.0406 USER MOD Single : A 85 LYS NZ :NH3+ 151:sc= -0.248 (180deg=-1.06) USER MOD Single : A 86 SER OG : rot -110:sc= -1.1 USER MOD Single : A 91 HIS : no HE2:sc= -7.65! C(o=-7.7!,f=-13!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N LYS A 9 7.558 8.547 0.820 1.00 0.00 N ATOM 99 CA LYS A 9 6.485 7.719 0.316 1.00 0.00 C ATOM 100 C LYS A 9 6.196 6.546 1.233 1.00 0.00 C ATOM 101 O LYS A 9 6.927 6.282 2.188 1.00 0.00 O ATOM 102 CB LYS A 9 6.876 7.179 -1.052 1.00 0.00 C ATOM 103 CG LYS A 9 6.867 8.219 -2.153 1.00 0.00 C ATOM 104 CD LYS A 9 8.104 9.097 -2.111 1.00 0.00 C ATOM 105 CE LYS A 9 7.866 10.359 -1.305 1.00 0.00 C ATOM 106 NZ LYS A 9 7.646 11.545 -2.177 1.00 0.00 N ATOM 0 HA LYS A 9 5.588 8.335 0.256 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.873 6.743 -0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.193 6.374 -1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.807 7.722 -3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.977 8.841 -2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.933 8.538 -1.677 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.397 9.363 -3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.999 10.218 -0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.722 10.541 -0.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.487 12.386 -1.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.483 11.696 -2.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.814 11.383 -2.779 1.00 0.00 H new ATOM 120 N ILE A 10 5.130 5.831 0.907 1.00 0.00 N ATOM 121 CA ILE A 10 4.728 4.660 1.659 1.00 0.00 C ATOM 122 C ILE A 10 4.948 3.439 0.814 1.00 0.00 C ATOM 123 O ILE A 10 4.641 3.427 -0.377 1.00 0.00 O ATOM 124 CB ILE A 10 3.246 4.680 2.084 1.00 0.00 C ATOM 125 CG1 ILE A 10 2.751 6.111 2.260 1.00 0.00 C ATOM 126 CG2 ILE A 10 3.054 3.885 3.364 1.00 0.00 C ATOM 127 CD1 ILE A 10 1.253 6.204 2.432 1.00 0.00 C ATOM 0 H ILE A 10 4.524 6.048 0.116 1.00 0.00 H new ATOM 0 HA ILE A 10 5.332 4.651 2.566 1.00 0.00 H new ATOM 0 HB ILE A 10 2.656 4.215 1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.238 6.553 3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.048 6.701 1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.003 3.908 3.652 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.363 2.853 3.201 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.658 4.323 4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.965 7.248 2.552 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.759 5.790 1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.953 5.640 3.315 1.00 0.00 H new ATOM 139 N LYS A 11 5.480 2.421 1.430 1.00 0.00 N ATOM 140 CA LYS A 11 5.748 1.184 0.738 1.00 0.00 C ATOM 141 C LYS A 11 4.769 0.127 1.193 1.00 0.00 C ATOM 142 O LYS A 11 5.045 -0.618 2.123 1.00 0.00 O ATOM 143 CB LYS A 11 7.192 0.751 0.986 1.00 0.00 C ATOM 144 CG LYS A 11 8.178 1.917 0.925 1.00 0.00 C ATOM 145 CD LYS A 11 9.205 1.837 2.040 1.00 0.00 C ATOM 146 CE LYS A 11 10.459 1.106 1.588 1.00 0.00 C ATOM 147 NZ LYS A 11 11.695 1.876 1.904 1.00 0.00 N ATOM 0 H LYS A 11 5.739 2.420 2.416 1.00 0.00 H new ATOM 0 HA LYS A 11 5.621 1.327 -0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.261 0.274 1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.475 0.003 0.245 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.686 1.915 -0.039 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.634 2.859 0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.467 2.843 2.368 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.773 1.324 2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.505 0.131 2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.408 0.927 0.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.528 1.344 1.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.663 2.797 1.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.758 2.025 2.931 1.00 0.00 H new ATOM 161 N CYS A 12 3.610 0.088 0.542 1.00 0.00 N ATOM 162 CA CYS A 12 2.570 -0.866 0.887 1.00 0.00 C ATOM 163 C CYS A 12 2.064 -1.584 -0.360 1.00 0.00 C ATOM 164 O CYS A 12 2.543 -1.337 -1.464 1.00 0.00 O ATOM 165 CB CYS A 12 1.416 -0.174 1.624 1.00 0.00 C ATOM 166 SG CYS A 12 1.943 1.009 2.883 1.00 0.00 S ATOM 0 H CYS A 12 3.370 0.710 -0.230 1.00 0.00 H new ATOM 0 HA CYS A 12 3.000 -1.610 1.558 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.792 0.343 0.895 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.793 -0.934 2.095 1.00 0.00 H new ATOM 0 HG CYS A 12 0.942 1.773 3.206 1.00 0.00 H new ATOM 172 N SER A 13 1.109 -2.484 -0.173 1.00 0.00 N ATOM 173 CA SER A 13 0.530 -3.248 -1.274 1.00 0.00 C ATOM 174 C SER A 13 -0.990 -3.282 -1.130 1.00 0.00 C ATOM 175 O SER A 13 -1.515 -3.007 -0.052 1.00 0.00 O ATOM 176 CB SER A 13 1.099 -4.667 -1.286 1.00 0.00 C ATOM 177 OG SER A 13 1.246 -5.165 0.034 1.00 0.00 O ATOM 0 H SER A 13 0.714 -2.706 0.741 1.00 0.00 H new ATOM 0 HA SER A 13 0.785 -2.768 -2.219 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.440 -5.323 -1.855 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.065 -4.671 -1.790 1.00 0.00 H new ATOM 0 HG SER A 13 0.662 -5.942 0.157 1.00 0.00 H new ATOM 183 N HIS A 14 -1.705 -3.601 -2.209 1.00 0.00 N ATOM 184 CA HIS A 14 -3.166 -3.635 -2.145 1.00 0.00 C ATOM 185 C HIS A 14 -3.774 -4.785 -2.943 1.00 0.00 C ATOM 186 O HIS A 14 -3.181 -5.292 -3.895 1.00 0.00 O ATOM 187 CB HIS A 14 -3.746 -2.306 -2.633 1.00 0.00 C ATOM 188 CG HIS A 14 -3.417 -1.995 -4.062 1.00 0.00 C ATOM 189 ND1 HIS A 14 -3.896 -0.880 -4.716 1.00 0.00 N ATOM 190 CD2 HIS A 14 -2.651 -2.657 -4.963 1.00 0.00 C ATOM 191 CE1 HIS A 14 -3.442 -0.870 -5.958 1.00 0.00 C ATOM 192 NE2 HIS A 14 -2.684 -1.937 -6.132 1.00 0.00 N ATOM 0 H HIS A 14 -1.308 -3.835 -3.119 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.427 -3.798 -1.099 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.829 -2.327 -2.515 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.372 -1.502 -2.000 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.115 -3.579 -4.793 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.655 -0.118 -6.703 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.201 -2.186 -6.995 1.00 0.00 H new ATOM 201 N ILE A 15 -4.982 -5.177 -2.533 1.00 0.00 N ATOM 202 CA ILE A 15 -5.729 -6.254 -3.178 1.00 0.00 C ATOM 203 C ILE A 15 -7.186 -5.832 -3.372 1.00 0.00 C ATOM 204 O ILE A 15 -7.764 -5.164 -2.517 1.00 0.00 O ATOM 205 CB ILE A 15 -5.656 -7.561 -2.343 1.00 0.00 C ATOM 206 CG1 ILE A 15 -4.401 -8.353 -2.707 1.00 0.00 C ATOM 207 CG2 ILE A 15 -6.894 -8.431 -2.539 1.00 0.00 C ATOM 208 CD1 ILE A 15 -3.120 -7.663 -2.313 1.00 0.00 C ATOM 0 H ILE A 15 -5.469 -4.754 -1.743 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.279 -6.450 -4.151 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.613 -7.274 -1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.443 -9.328 -2.222 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.393 -8.531 -3.782 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.802 -9.335 -1.937 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.780 -7.877 -2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.985 -8.703 -3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.270 -8.281 -2.601 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.056 -6.699 -2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.107 -7.509 -1.234 1.00 0.00 H new ATOM 220 N LEU A 16 -7.774 -6.215 -4.504 1.00 0.00 N ATOM 221 CA LEU A 16 -9.159 -5.859 -4.799 1.00 0.00 C ATOM 222 C LEU A 16 -10.024 -7.094 -5.020 1.00 0.00 C ATOM 223 O LEU A 16 -9.685 -7.964 -5.818 1.00 0.00 O ATOM 224 CB LEU A 16 -9.225 -4.964 -6.041 1.00 0.00 C ATOM 225 CG LEU A 16 -9.614 -3.511 -5.774 1.00 0.00 C ATOM 226 CD1 LEU A 16 -9.216 -2.631 -6.949 1.00 0.00 C ATOM 227 CD2 LEU A 16 -11.107 -3.403 -5.507 1.00 0.00 C ATOM 0 H LEU A 16 -7.315 -6.769 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.547 -5.320 -3.935 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.252 -4.979 -6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.942 -5.393 -6.741 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.080 -3.165 -4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.500 -1.599 -6.743 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.138 -2.688 -7.097 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.725 -2.975 -7.850 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.369 -2.362 -5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.659 -3.764 -6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.365 -4.005 -4.636 1.00 0.00 H new ATOM 239 N VAL A 17 -11.150 -7.153 -4.317 1.00 0.00 N ATOM 240 CA VAL A 17 -12.079 -8.269 -4.447 1.00 0.00 C ATOM 241 C VAL A 17 -13.521 -7.781 -4.321 1.00 0.00 C ATOM 242 O VAL A 17 -13.838 -6.993 -3.429 1.00 0.00 O ATOM 243 CB VAL A 17 -11.812 -9.353 -3.384 1.00 0.00 C ATOM 244 CG1 VAL A 17 -10.382 -9.864 -3.489 1.00 0.00 C ATOM 245 CG2 VAL A 17 -12.098 -8.819 -1.987 1.00 0.00 C ATOM 0 H VAL A 17 -11.442 -6.439 -3.650 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.926 -8.706 -5.434 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.486 -10.190 -3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.212 -10.628 -2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.220 -10.292 -4.478 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.688 -9.038 -3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.903 -9.600 -1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.454 -7.963 -1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -13.142 -8.511 -1.922 1.00 0.00 H new ATOM 255 N LYS A 18 -14.391 -8.240 -5.217 1.00 0.00 N ATOM 256 CA LYS A 18 -15.790 -7.825 -5.184 1.00 0.00 C ATOM 257 C LYS A 18 -16.502 -8.425 -3.979 1.00 0.00 C ATOM 258 O LYS A 18 -17.341 -7.774 -3.356 1.00 0.00 O ATOM 259 CB LYS A 18 -16.502 -8.236 -6.474 1.00 0.00 C ATOM 260 CG LYS A 18 -16.369 -7.215 -7.593 1.00 0.00 C ATOM 261 CD LYS A 18 -15.354 -7.657 -8.637 1.00 0.00 C ATOM 262 CE LYS A 18 -16.024 -8.395 -9.786 1.00 0.00 C ATOM 263 NZ LYS A 18 -15.389 -8.081 -11.095 1.00 0.00 N ATOM 0 H LYS A 18 -14.156 -8.891 -5.966 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.819 -6.739 -5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.099 -9.190 -6.814 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.559 -8.394 -6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.339 -7.066 -8.068 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -16.068 -6.254 -7.176 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.824 -6.786 -9.022 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.610 -8.304 -8.172 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.973 -9.469 -9.606 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.080 -8.128 -9.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.875 -8.604 -11.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.460 -7.060 -11.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.387 -8.359 -11.071 1.00 0.00 H new ATOM 277 N LYS A 19 -16.139 -9.655 -3.634 1.00 0.00 N ATOM 278 CA LYS A 19 -16.723 -10.319 -2.484 1.00 0.00 C ATOM 279 C LYS A 19 -16.185 -9.673 -1.213 1.00 0.00 C ATOM 280 O LYS A 19 -15.262 -10.180 -0.573 1.00 0.00 O ATOM 281 CB LYS A 19 -16.421 -11.819 -2.529 1.00 0.00 C ATOM 282 CG LYS A 19 -15.049 -12.170 -3.088 1.00 0.00 C ATOM 283 CD LYS A 19 -14.504 -13.450 -2.476 1.00 0.00 C ATOM 284 CE LYS A 19 -14.301 -14.530 -3.526 1.00 0.00 C ATOM 285 NZ LYS A 19 -13.301 -15.544 -3.094 1.00 0.00 N ATOM 0 H LYS A 19 -15.444 -10.208 -4.136 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.807 -10.207 -2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -16.503 -12.224 -1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -17.183 -12.312 -3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.115 -12.283 -4.170 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.357 -11.351 -2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.556 -13.242 -1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.192 -13.810 -1.711 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.252 -15.022 -3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.973 -14.072 -4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.192 -16.263 -3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.386 -15.079 -2.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.625 -16.000 -2.217 1.00 0.00 H new ATOM 299 N GLN A 20 -16.756 -8.516 -0.893 1.00 0.00 N ATOM 300 CA GLN A 20 -16.345 -7.718 0.258 1.00 0.00 C ATOM 301 C GLN A 20 -16.182 -8.539 1.529 1.00 0.00 C ATOM 302 O GLN A 20 -15.417 -8.157 2.415 1.00 0.00 O ATOM 303 CB GLN A 20 -17.351 -6.593 0.500 1.00 0.00 C ATOM 304 CG GLN A 20 -18.801 -7.045 0.424 1.00 0.00 C ATOM 305 CD GLN A 20 -19.514 -6.949 1.759 1.00 0.00 C ATOM 306 OE1 GLN A 20 -19.657 -5.864 2.323 1.00 0.00 O ATOM 307 NE2 GLN A 20 -19.965 -8.088 2.272 1.00 0.00 N ATOM 0 H GLN A 20 -17.521 -8.103 -1.427 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.365 -7.306 0.017 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -17.166 -6.157 1.482 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -17.186 -5.805 -0.235 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -19.329 -6.436 -0.310 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -18.838 -8.075 0.070 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -19.824 -8.965 1.770 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -20.452 -8.086 3.168 1.00 0.00 H new ATOM 316 N GLY A 21 -16.884 -9.656 1.631 1.00 0.00 N ATOM 317 CA GLY A 21 -16.754 -10.462 2.826 1.00 0.00 C ATOM 318 C GLY A 21 -15.377 -11.071 2.923 1.00 0.00 C ATOM 319 O GLY A 21 -14.839 -11.254 4.017 1.00 0.00 O ATOM 0 H GLY A 21 -17.528 -10.014 0.925 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -16.946 -9.848 3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.505 -11.252 2.819 1.00 0.00 H new ATOM 323 N GLU A 22 -14.790 -11.350 1.772 1.00 0.00 N ATOM 324 CA GLU A 22 -13.455 -11.909 1.721 1.00 0.00 C ATOM 325 C GLU A 22 -12.435 -10.863 2.149 1.00 0.00 C ATOM 326 O GLU A 22 -11.478 -11.162 2.859 1.00 0.00 O ATOM 327 CB GLU A 22 -13.156 -12.411 0.310 1.00 0.00 C ATOM 328 CG GLU A 22 -12.751 -11.339 -0.678 1.00 0.00 C ATOM 329 CD GLU A 22 -11.457 -11.675 -1.396 1.00 0.00 C ATOM 330 OE1 GLU A 22 -11.503 -12.478 -2.351 1.00 0.00 O ATOM 331 OE2 GLU A 22 -10.401 -11.139 -1.003 1.00 0.00 O ATOM 0 H GLU A 22 -15.220 -11.197 0.860 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.392 -12.752 2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.359 -13.152 0.366 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.040 -12.921 -0.073 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.546 -11.205 -1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.637 -10.390 -0.154 1.00 0.00 H new ATOM 338 N ALA A 23 -12.661 -9.631 1.708 1.00 0.00 N ATOM 339 CA ALA A 23 -11.777 -8.521 2.039 1.00 0.00 C ATOM 340 C ALA A 23 -11.547 -8.461 3.547 1.00 0.00 C ATOM 341 O ALA A 23 -10.448 -8.161 4.011 1.00 0.00 O ATOM 342 CB ALA A 23 -12.361 -7.208 1.524 1.00 0.00 C ATOM 0 H ALA A 23 -13.453 -9.375 1.118 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.814 -8.679 1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.690 -6.387 1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.476 -7.261 0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.334 -7.037 1.984 1.00 0.00 H new ATOM 348 N LEU A 24 -12.598 -8.764 4.305 1.00 0.00 N ATOM 349 CA LEU A 24 -12.524 -8.767 5.762 1.00 0.00 C ATOM 350 C LEU A 24 -11.741 -9.975 6.265 1.00 0.00 C ATOM 351 O LEU A 24 -11.126 -9.929 7.328 1.00 0.00 O ATOM 352 CB LEU A 24 -13.928 -8.763 6.369 1.00 0.00 C ATOM 353 CG LEU A 24 -14.059 -8.019 7.698 1.00 0.00 C ATOM 354 CD1 LEU A 24 -13.093 -8.589 8.726 1.00 0.00 C ATOM 355 CD2 LEU A 24 -13.813 -6.530 7.501 1.00 0.00 C ATOM 0 H LEU A 24 -13.514 -9.011 3.931 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.001 -7.863 6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.616 -8.316 5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.246 -9.795 6.516 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.075 -8.154 8.070 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.200 -8.047 9.666 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.315 -9.644 8.888 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.071 -8.485 8.362 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.910 -6.016 8.457 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.809 -6.376 7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.544 -6.130 6.798 1.00 0.00 H new ATOM 367 N ALA A 25 -11.787 -11.064 5.506 1.00 0.00 N ATOM 368 CA ALA A 25 -11.091 -12.289 5.883 1.00 0.00 C ATOM 369 C ALA A 25 -9.639 -12.272 5.418 1.00 0.00 C ATOM 370 O ALA A 25 -8.738 -12.672 6.154 1.00 0.00 O ATOM 371 CB ALA A 25 -11.816 -13.497 5.311 1.00 0.00 C ATOM 0 H ALA A 25 -12.299 -11.124 4.626 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.089 -12.355 6.971 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.289 -14.407 5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.833 -13.529 5.701 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.846 -13.422 4.224 1.00 0.00 H new ATOM 377 N VAL A 26 -9.414 -11.809 4.193 1.00 0.00 N ATOM 378 CA VAL A 26 -8.068 -11.746 3.635 1.00 0.00 C ATOM 379 C VAL A 26 -7.130 -10.994 4.566 1.00 0.00 C ATOM 380 O VAL A 26 -5.978 -11.378 4.740 1.00 0.00 O ATOM 381 CB VAL A 26 -8.045 -11.086 2.237 1.00 0.00 C ATOM 382 CG1 VAL A 26 -9.199 -11.594 1.384 1.00 0.00 C ATOM 383 CG2 VAL A 26 -8.086 -9.566 2.347 1.00 0.00 C ATOM 0 H VAL A 26 -10.146 -11.472 3.568 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.727 -12.776 3.529 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.110 -11.363 1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.165 -11.117 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.115 -12.674 1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.144 -11.355 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.069 -9.128 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.998 -9.263 2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.220 -9.218 2.911 1.00 0.00 H new ATOM 393 N GLN A 27 -7.631 -9.926 5.176 1.00 0.00 N ATOM 394 CA GLN A 27 -6.822 -9.145 6.097 1.00 0.00 C ATOM 395 C GLN A 27 -6.287 -10.052 7.205 1.00 0.00 C ATOM 396 O GLN A 27 -5.088 -10.071 7.484 1.00 0.00 O ATOM 397 CB GLN A 27 -7.635 -7.976 6.675 1.00 0.00 C ATOM 398 CG GLN A 27 -8.656 -8.377 7.725 1.00 0.00 C ATOM 399 CD GLN A 27 -9.229 -7.185 8.467 1.00 0.00 C ATOM 400 OE1 GLN A 27 -9.416 -7.227 9.683 1.00 0.00 O ATOM 401 NE2 GLN A 27 -9.512 -6.112 7.737 1.00 0.00 N ATOM 0 H GLN A 27 -8.584 -9.585 5.050 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.975 -8.719 5.559 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.947 -7.253 7.113 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.151 -7.471 5.859 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.467 -8.926 7.247 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.190 -9.055 8.440 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.341 -6.120 6.731 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.900 -5.280 8.182 1.00 0.00 H new ATOM 410 N GLU A 28 -7.188 -10.818 7.814 1.00 0.00 N ATOM 411 CA GLU A 28 -6.825 -11.754 8.874 1.00 0.00 C ATOM 412 C GLU A 28 -6.096 -12.970 8.299 1.00 0.00 C ATOM 413 O GLU A 28 -5.261 -13.585 8.963 1.00 0.00 O ATOM 414 CB GLU A 28 -8.084 -12.194 9.638 1.00 0.00 C ATOM 415 CG GLU A 28 -8.914 -13.259 8.931 1.00 0.00 C ATOM 416 CD GLU A 28 -9.795 -14.038 9.887 1.00 0.00 C ATOM 417 OE1 GLU A 28 -9.319 -14.378 10.991 1.00 0.00 O ATOM 418 OE2 GLU A 28 -10.962 -14.309 9.532 1.00 0.00 O ATOM 0 H GLU A 28 -8.183 -10.808 7.589 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.149 -11.251 9.565 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.786 -12.573 10.615 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.711 -11.320 9.813 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.537 -12.785 8.172 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.248 -13.948 8.412 1.00 0.00 H new ATOM 425 N ARG A 29 -6.453 -13.318 7.067 1.00 0.00 N ATOM 426 CA ARG A 29 -5.885 -14.470 6.376 1.00 0.00 C ATOM 427 C ARG A 29 -4.483 -14.182 5.839 1.00 0.00 C ATOM 428 O ARG A 29 -3.672 -15.094 5.675 1.00 0.00 O ATOM 429 CB ARG A 29 -6.807 -14.859 5.220 1.00 0.00 C ATOM 430 CG ARG A 29 -6.771 -16.334 4.865 1.00 0.00 C ATOM 431 CD ARG A 29 -7.433 -17.183 5.939 1.00 0.00 C ATOM 432 NE ARG A 29 -6.454 -17.815 6.820 1.00 0.00 N ATOM 433 CZ ARG A 29 -6.766 -18.401 7.973 1.00 0.00 C ATOM 434 NH1 ARG A 29 -8.026 -18.439 8.387 1.00 0.00 N ATOM 435 NH2 ARG A 29 -5.816 -18.953 8.715 1.00 0.00 N ATOM 0 H ARG A 29 -7.146 -12.808 6.519 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.800 -15.288 7.092 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.830 -14.584 5.477 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.532 -14.278 4.340 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.276 -16.492 3.912 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.737 -16.653 4.734 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.104 -16.560 6.531 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.045 -17.952 5.467 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.475 -17.807 6.535 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.762 -18.017 7.820 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.259 -18.890 9.272 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.846 -18.928 8.402 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.056 -19.402 9.599 1.00 0.00 H new ATOM 449 N LEU A 30 -4.213 -12.917 5.549 1.00 0.00 N ATOM 450 CA LEU A 30 -2.922 -12.511 5.012 1.00 0.00 C ATOM 451 C LEU A 30 -1.788 -12.841 5.978 1.00 0.00 C ATOM 452 O LEU A 30 -0.809 -13.486 5.601 1.00 0.00 O ATOM 453 CB LEU A 30 -2.940 -11.012 4.702 1.00 0.00 C ATOM 454 CG LEU A 30 -1.873 -10.539 3.714 1.00 0.00 C ATOM 455 CD1 LEU A 30 -0.482 -10.856 4.240 1.00 0.00 C ATOM 456 CD2 LEU A 30 -2.092 -11.172 2.346 1.00 0.00 C ATOM 0 H LEU A 30 -4.874 -12.151 5.677 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.743 -13.068 4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.921 -10.751 4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.817 -10.463 5.635 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.958 -9.458 3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.265 -10.512 3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.330 -10.351 5.194 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.382 -11.932 4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.323 -10.823 1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.036 -12.257 2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.074 -10.889 1.967 1.00 0.00 H new ATOM 468 N LYS A 31 -1.923 -12.396 7.221 1.00 0.00 N ATOM 469 CA LYS A 31 -0.906 -12.644 8.239 1.00 0.00 C ATOM 470 C LYS A 31 -0.841 -14.123 8.618 1.00 0.00 C ATOM 471 O LYS A 31 0.065 -14.547 9.335 1.00 0.00 O ATOM 472 CB LYS A 31 -1.195 -11.812 9.485 1.00 0.00 C ATOM 473 CG LYS A 31 -2.551 -12.102 10.105 1.00 0.00 C ATOM 474 CD LYS A 31 -3.497 -10.922 9.967 1.00 0.00 C ATOM 475 CE LYS A 31 -4.272 -10.673 11.252 1.00 0.00 C ATOM 476 NZ LYS A 31 -5.156 -11.821 11.602 1.00 0.00 N ATOM 0 H LYS A 31 -2.727 -11.861 7.550 1.00 0.00 H new ATOM 0 HA LYS A 31 0.058 -12.355 7.819 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.418 -11.999 10.226 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.141 -10.754 9.227 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.990 -12.978 9.627 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.424 -12.345 11.160 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.930 -10.029 9.705 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.195 -11.108 9.151 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.572 -10.492 12.068 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.875 -9.771 11.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.130 -11.481 11.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.136 -12.522 10.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.820 -12.262 12.482 1.00 0.00 H new ATOM 490 N ALA A 32 -1.805 -14.906 8.142 1.00 0.00 N ATOM 491 CA ALA A 32 -1.848 -16.330 8.446 1.00 0.00 C ATOM 492 C ALA A 32 -0.553 -17.026 8.036 1.00 0.00 C ATOM 493 O ALA A 32 -0.226 -18.099 8.545 1.00 0.00 O ATOM 494 CB ALA A 32 -3.039 -16.978 7.753 1.00 0.00 C ATOM 0 H ALA A 32 -2.565 -14.578 7.546 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.959 -16.441 9.525 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.061 -18.042 7.987 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.960 -16.511 8.100 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.949 -16.846 6.675 1.00 0.00 H new ATOM 500 N GLY A 33 0.173 -16.411 7.110 1.00 0.00 N ATOM 501 CA GLY A 33 1.413 -16.982 6.641 1.00 0.00 C ATOM 502 C GLY A 33 1.565 -16.876 5.134 1.00 0.00 C ATOM 503 O GLY A 33 2.641 -17.134 4.595 1.00 0.00 O ATOM 0 H GLY A 33 -0.080 -15.523 6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.249 -16.476 7.124 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.462 -18.030 6.936 1.00 0.00 H new ATOM 507 N GLU A 34 0.486 -16.497 4.454 1.00 0.00 N ATOM 508 CA GLU A 34 0.510 -16.360 3.003 1.00 0.00 C ATOM 509 C GLU A 34 1.192 -15.061 2.590 1.00 0.00 C ATOM 510 O GLU A 34 1.266 -14.112 3.370 1.00 0.00 O ATOM 511 CB GLU A 34 -0.910 -16.405 2.438 1.00 0.00 C ATOM 512 CG GLU A 34 -1.836 -15.355 3.032 1.00 0.00 C ATOM 513 CD GLU A 34 -3.231 -15.407 2.443 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.583 -16.444 1.842 1.00 0.00 O ATOM 515 OE2 GLU A 34 -3.972 -14.411 2.581 1.00 0.00 O ATOM 0 H GLU A 34 -0.413 -16.280 4.884 1.00 0.00 H new ATOM 0 HA GLU A 34 1.080 -17.195 2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.866 -16.269 1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.332 -17.394 2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.896 -15.498 4.111 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.412 -14.365 2.864 1.00 0.00 H new ATOM 522 N LYS A 35 1.688 -15.026 1.357 1.00 0.00 N ATOM 523 CA LYS A 35 2.363 -13.843 0.841 1.00 0.00 C ATOM 524 C LYS A 35 1.368 -12.897 0.183 1.00 0.00 C ATOM 525 O LYS A 35 0.489 -13.323 -0.565 1.00 0.00 O ATOM 526 CB LYS A 35 3.453 -14.240 -0.158 1.00 0.00 C ATOM 527 CG LYS A 35 4.815 -13.647 0.163 1.00 0.00 C ATOM 528 CD LYS A 35 5.916 -14.294 -0.662 1.00 0.00 C ATOM 529 CE LYS A 35 6.180 -13.523 -1.945 1.00 0.00 C ATOM 530 NZ LYS A 35 7.425 -12.711 -1.859 1.00 0.00 N ATOM 0 H LYS A 35 1.635 -15.803 0.698 1.00 0.00 H new ATOM 0 HA LYS A 35 2.828 -13.326 1.680 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.535 -15.327 -0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.153 -13.922 -1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.799 -12.574 -0.028 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.029 -13.779 1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.831 -14.345 -0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.636 -15.319 -0.904 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.259 -14.221 -2.778 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.334 -12.869 -2.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.569 -12.201 -2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.340 -12.027 -1.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.236 -13.337 -1.683 1.00 0.00 H new ATOM 544 N PHE A 36 1.513 -11.610 0.475 1.00 0.00 N ATOM 545 CA PHE A 36 0.631 -10.593 -0.082 1.00 0.00 C ATOM 546 C PHE A 36 0.584 -10.676 -1.601 1.00 0.00 C ATOM 547 O PHE A 36 -0.492 -10.669 -2.201 1.00 0.00 O ATOM 548 CB PHE A 36 1.095 -9.204 0.346 1.00 0.00 C ATOM 549 CG PHE A 36 -0.024 -8.217 0.451 1.00 0.00 C ATOM 550 CD1 PHE A 36 -0.851 -8.211 1.559 1.00 0.00 C ATOM 551 CD2 PHE A 36 -0.255 -7.305 -0.561 1.00 0.00 C ATOM 552 CE1 PHE A 36 -1.892 -7.309 1.658 1.00 0.00 C ATOM 553 CE2 PHE A 36 -1.292 -6.399 -0.468 1.00 0.00 C ATOM 554 CZ PHE A 36 -2.112 -6.399 0.642 1.00 0.00 C ATOM 0 H PHE A 36 2.235 -11.246 1.096 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.373 -10.773 0.301 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.599 -9.277 1.310 1.00 0.00 H new ATOM 0 HB3 PHE A 36 1.830 -8.836 -0.370 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.681 -8.920 2.356 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.382 -7.301 -1.433 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.533 -7.315 2.528 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.462 -5.690 -1.264 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.923 -5.690 0.716 1.00 0.00 H new ATOM 564 N GLY A 37 1.756 -10.756 -2.219 1.00 0.00 N ATOM 565 CA GLY A 37 1.828 -10.840 -3.665 1.00 0.00 C ATOM 566 C GLY A 37 0.995 -11.980 -4.217 1.00 0.00 C ATOM 567 O GLY A 37 0.427 -11.877 -5.304 1.00 0.00 O ATOM 0 H GLY A 37 2.659 -10.764 -1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.487 -9.900 -4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.867 -10.972 -3.968 1.00 0.00 H new ATOM 571 N LYS A 38 0.921 -13.071 -3.461 1.00 0.00 N ATOM 572 CA LYS A 38 0.152 -14.238 -3.873 1.00 0.00 C ATOM 573 C LYS A 38 -1.320 -13.882 -4.056 1.00 0.00 C ATOM 574 O LYS A 38 -1.908 -14.159 -5.100 1.00 0.00 O ATOM 575 CB LYS A 38 0.289 -15.357 -2.841 1.00 0.00 C ATOM 576 CG LYS A 38 1.731 -15.710 -2.514 1.00 0.00 C ATOM 577 CD LYS A 38 2.247 -16.833 -3.402 1.00 0.00 C ATOM 578 CE LYS A 38 2.417 -18.128 -2.625 1.00 0.00 C ATOM 579 NZ LYS A 38 3.471 -18.996 -3.219 1.00 0.00 N ATOM 0 H LYS A 38 1.386 -13.170 -2.558 1.00 0.00 H new ATOM 0 HA LYS A 38 0.548 -14.582 -4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.220 -15.059 -1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.219 -16.247 -3.213 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.360 -14.828 -2.639 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.805 -16.009 -1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.554 -16.992 -4.228 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.202 -16.542 -3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.674 -17.900 -1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.470 -18.667 -2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.557 -19.869 -2.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.213 -19.235 -4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.380 -18.491 -3.214 1.00 0.00 H new ATOM 593 N LEU A 39 -1.907 -13.265 -3.033 1.00 0.00 N ATOM 594 CA LEU A 39 -3.316 -12.875 -3.078 1.00 0.00 C ATOM 595 C LEU A 39 -3.610 -12.041 -4.321 1.00 0.00 C ATOM 596 O LEU A 39 -4.696 -12.124 -4.891 1.00 0.00 O ATOM 597 CB LEU A 39 -3.711 -12.072 -1.832 1.00 0.00 C ATOM 598 CG LEU A 39 -3.658 -12.831 -0.497 1.00 0.00 C ATOM 599 CD1 LEU A 39 -4.423 -14.141 -0.590 1.00 0.00 C ATOM 600 CD2 LEU A 39 -2.224 -13.084 -0.060 1.00 0.00 C ATOM 0 H LEU A 39 -1.431 -13.024 -2.164 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.902 -13.793 -3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.055 -11.204 -1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.724 -11.695 -1.973 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.134 -12.204 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.372 -14.661 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.465 -13.937 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.982 -14.766 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.222 -13.623 0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.713 -13.679 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.708 -12.132 0.063 1.00 0.00 H new ATOM 612 N ALA A 40 -2.633 -11.244 -4.746 1.00 0.00 N ATOM 613 CA ALA A 40 -2.804 -10.398 -5.923 1.00 0.00 C ATOM 614 C ALA A 40 -3.304 -11.218 -7.103 1.00 0.00 C ATOM 615 O ALA A 40 -4.326 -10.899 -7.711 1.00 0.00 O ATOM 616 CB ALA A 40 -1.491 -9.714 -6.271 1.00 0.00 C ATOM 0 H ALA A 40 -1.721 -11.166 -4.296 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.548 -9.634 -5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.630 -9.085 -7.151 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.168 -9.098 -5.432 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.732 -10.468 -6.480 1.00 0.00 H new ATOM 622 N LYS A 41 -2.586 -12.284 -7.410 1.00 0.00 N ATOM 623 CA LYS A 41 -2.956 -13.170 -8.503 1.00 0.00 C ATOM 624 C LYS A 41 -3.955 -14.230 -8.037 1.00 0.00 C ATOM 625 O LYS A 41 -4.681 -14.808 -8.847 1.00 0.00 O ATOM 626 CB LYS A 41 -1.711 -13.839 -9.089 1.00 0.00 C ATOM 627 CG LYS A 41 -1.054 -14.840 -8.152 1.00 0.00 C ATOM 628 CD LYS A 41 0.365 -15.167 -8.593 1.00 0.00 C ATOM 629 CE LYS A 41 0.611 -16.667 -8.619 1.00 0.00 C ATOM 630 NZ LYS A 41 1.976 -17.015 -8.137 1.00 0.00 N ATOM 0 H LYS A 41 -1.738 -12.559 -6.915 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.433 -12.570 -9.278 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.984 -14.346 -10.014 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.985 -13.069 -9.350 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.038 -14.436 -7.140 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.647 -15.754 -8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.543 -14.751 -9.585 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.076 -14.693 -7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.132 -17.167 -7.998 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.479 -17.039 -9.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.103 -18.047 -8.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.686 -16.559 -8.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.094 -16.683 -7.158 1.00 0.00 H new ATOM 644 N GLU A 42 -3.958 -14.512 -6.734 1.00 0.00 N ATOM 645 CA GLU A 42 -4.834 -15.537 -6.172 1.00 0.00 C ATOM 646 C GLU A 42 -6.315 -15.138 -6.208 1.00 0.00 C ATOM 647 O GLU A 42 -7.096 -15.738 -6.946 1.00 0.00 O ATOM 648 CB GLU A 42 -4.401 -15.858 -4.740 1.00 0.00 C ATOM 649 CG GLU A 42 -3.845 -17.263 -4.573 1.00 0.00 C ATOM 650 CD GLU A 42 -4.264 -17.903 -3.265 1.00 0.00 C ATOM 651 OE1 GLU A 42 -4.225 -17.212 -2.227 1.00 0.00 O ATOM 652 OE2 GLU A 42 -4.627 -19.098 -3.280 1.00 0.00 O ATOM 0 H GLU A 42 -3.364 -14.045 -6.049 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.736 -16.426 -6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.645 -15.138 -4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.255 -15.733 -4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.183 -17.885 -5.402 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.757 -17.228 -4.624 1.00 0.00 H new ATOM 659 N LEU A 43 -6.711 -14.138 -5.417 1.00 0.00 N ATOM 660 CA LEU A 43 -8.115 -13.711 -5.399 1.00 0.00 C ATOM 661 C LEU A 43 -8.290 -12.256 -5.824 1.00 0.00 C ATOM 662 O LEU A 43 -9.403 -11.829 -6.127 1.00 0.00 O ATOM 663 CB LEU A 43 -8.755 -13.932 -4.020 1.00 0.00 C ATOM 664 CG LEU A 43 -7.869 -13.638 -2.807 1.00 0.00 C ATOM 665 CD1 LEU A 43 -6.823 -14.726 -2.635 1.00 0.00 C ATOM 666 CD2 LEU A 43 -7.215 -12.270 -2.929 1.00 0.00 C ATOM 0 H LEU A 43 -6.095 -13.617 -4.792 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.628 -14.336 -6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.646 -13.308 -3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.086 -14.969 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.500 -13.627 -1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.202 -14.500 -1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.318 -15.686 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.197 -14.774 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.591 -12.086 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.599 -12.240 -3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.986 -11.502 -2.993 1.00 0.00 H new ATOM 678 N SER A 44 -7.203 -11.490 -5.842 1.00 0.00 N ATOM 679 CA SER A 44 -7.288 -10.086 -6.228 1.00 0.00 C ATOM 680 C SER A 44 -7.720 -9.941 -7.682 1.00 0.00 C ATOM 681 O SER A 44 -7.212 -10.628 -8.568 1.00 0.00 O ATOM 682 CB SER A 44 -5.940 -9.398 -6.025 1.00 0.00 C ATOM 683 OG SER A 44 -6.091 -8.160 -5.354 1.00 0.00 O ATOM 0 H SER A 44 -6.266 -11.812 -5.598 1.00 0.00 H new ATOM 0 HA SER A 44 -8.037 -9.611 -5.594 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.280 -10.048 -5.450 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.463 -9.235 -6.992 1.00 0.00 H new ATOM 0 HG SER A 44 -5.736 -7.439 -5.915 1.00 0.00 H new ATOM 689 N ILE A 45 -8.661 -9.034 -7.916 1.00 0.00 N ATOM 690 CA ILE A 45 -9.170 -8.784 -9.259 1.00 0.00 C ATOM 691 C ILE A 45 -8.478 -7.581 -9.896 1.00 0.00 C ATOM 692 O ILE A 45 -8.650 -7.312 -11.084 1.00 0.00 O ATOM 693 CB ILE A 45 -10.692 -8.539 -9.256 1.00 0.00 C ATOM 694 CG1 ILE A 45 -11.081 -7.623 -8.094 1.00 0.00 C ATOM 695 CG2 ILE A 45 -11.440 -9.860 -9.169 1.00 0.00 C ATOM 696 CD1 ILE A 45 -12.184 -6.644 -8.425 1.00 0.00 C ATOM 0 H ILE A 45 -9.088 -8.458 -7.191 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.956 -9.679 -9.843 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.968 -8.048 -10.189 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.396 -8.237 -7.250 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.200 -7.067 -7.773 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.513 -9.671 -9.168 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.182 -10.481 -10.027 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.162 -10.376 -8.250 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.401 -6.031 -7.550 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.867 -6.003 -9.247 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.081 -7.191 -8.717 1.00 0.00 H new ATOM 745 N ALA A 50 -2.028 -5.816 -10.190 1.00 0.00 N ATOM 746 CA ALA A 50 -2.117 -6.975 -9.307 1.00 0.00 C ATOM 747 C ALA A 50 -1.177 -8.081 -9.760 1.00 0.00 C ATOM 748 O ALA A 50 -0.810 -8.958 -8.979 1.00 0.00 O ATOM 749 CB ALA A 50 -3.547 -7.486 -9.250 1.00 0.00 C ATOM 0 HA ALA A 50 -1.814 -6.663 -8.307 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.598 -8.350 -8.588 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.200 -6.699 -8.871 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.870 -7.775 -10.250 1.00 0.00 H new ATOM 755 N LYS A 51 -0.792 -8.033 -11.030 1.00 0.00 N ATOM 756 CA LYS A 51 0.107 -9.026 -11.594 1.00 0.00 C ATOM 757 C LYS A 51 1.542 -8.757 -11.157 1.00 0.00 C ATOM 758 O LYS A 51 2.447 -9.547 -11.426 1.00 0.00 O ATOM 759 CB LYS A 51 0.000 -9.019 -13.117 1.00 0.00 C ATOM 760 CG LYS A 51 -0.755 -10.215 -13.670 1.00 0.00 C ATOM 761 CD LYS A 51 -1.841 -9.791 -14.647 1.00 0.00 C ATOM 762 CE LYS A 51 -3.224 -10.183 -14.151 1.00 0.00 C ATOM 763 NZ LYS A 51 -3.724 -11.418 -14.814 1.00 0.00 N ATOM 0 H LYS A 51 -1.091 -7.314 -11.688 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.181 -10.011 -11.226 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.499 -8.104 -13.435 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.002 -9.001 -13.545 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.057 -10.886 -14.170 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.202 -10.775 -12.849 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.799 -8.712 -14.793 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.658 -10.252 -15.618 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.192 -10.338 -13.073 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.921 -9.365 -14.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.669 -11.650 -14.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.779 -11.263 -15.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.073 -12.205 -14.617 1.00 0.00 H new ATOM 777 N ARG A 52 1.736 -7.635 -10.473 1.00 0.00 N ATOM 778 CA ARG A 52 3.042 -7.242 -9.982 1.00 0.00 C ATOM 779 C ARG A 52 3.142 -7.489 -8.477 1.00 0.00 C ATOM 780 O ARG A 52 3.934 -6.850 -7.786 1.00 0.00 O ATOM 781 CB ARG A 52 3.283 -5.768 -10.292 1.00 0.00 C ATOM 782 CG ARG A 52 3.929 -5.529 -11.646 1.00 0.00 C ATOM 783 CD ARG A 52 5.376 -5.085 -11.507 1.00 0.00 C ATOM 784 NE ARG A 52 6.301 -6.214 -11.566 1.00 0.00 N ATOM 785 CZ ARG A 52 7.593 -6.100 -11.866 1.00 0.00 C ATOM 786 NH1 ARG A 52 8.118 -4.912 -12.134 1.00 0.00 N ATOM 787 NH2 ARG A 52 8.363 -7.180 -11.897 1.00 0.00 N ATOM 0 H ARG A 52 0.991 -6.977 -10.246 1.00 0.00 H new ATOM 0 HA ARG A 52 3.804 -7.842 -10.480 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.332 -5.237 -10.254 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.918 -5.341 -9.515 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.884 -6.444 -12.237 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.366 -4.770 -12.189 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.616 -4.377 -12.300 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.505 -4.559 -10.561 1.00 0.00 H new ATOM 0 HE ARG A 52 5.935 -7.145 -11.365 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.531 -4.078 -12.111 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.109 -4.832 -12.363 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.965 -8.096 -11.691 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.353 -7.094 -12.127 1.00 0.00 H new ATOM 801 N ASP A 53 2.324 -8.416 -7.982 1.00 0.00 N ATOM 802 CA ASP A 53 2.298 -8.762 -6.562 1.00 0.00 C ATOM 803 C ASP A 53 1.657 -7.648 -5.728 1.00 0.00 C ATOM 804 O ASP A 53 1.741 -7.651 -4.501 1.00 0.00 O ATOM 805 CB ASP A 53 3.717 -9.101 -6.062 1.00 0.00 C ATOM 806 CG ASP A 53 4.407 -7.968 -5.320 1.00 0.00 C ATOM 807 OD1 ASP A 53 4.069 -7.735 -4.140 1.00 0.00 O ATOM 808 OD2 ASP A 53 5.297 -7.322 -5.911 1.00 0.00 O ATOM 0 H ASP A 53 1.664 -8.946 -8.551 1.00 0.00 H new ATOM 0 HA ASP A 53 1.678 -9.650 -6.439 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.660 -9.968 -5.404 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.331 -9.388 -6.916 1.00 0.00 H new ATOM 813 N GLY A 54 1.002 -6.703 -6.402 1.00 0.00 N ATOM 814 CA GLY A 54 0.351 -5.610 -5.702 1.00 0.00 C ATOM 815 C GLY A 54 1.322 -4.789 -4.875 1.00 0.00 C ATOM 816 O GLY A 54 0.919 -4.098 -3.942 1.00 0.00 O ATOM 0 H GLY A 54 0.912 -6.676 -7.418 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.143 -4.962 -6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.426 -6.011 -5.052 1.00 0.00 H new ATOM 820 N SER A 55 2.599 -4.860 -5.223 1.00 0.00 N ATOM 821 CA SER A 55 3.630 -4.118 -4.512 1.00 0.00 C ATOM 822 C SER A 55 3.573 -2.640 -4.877 1.00 0.00 C ATOM 823 O SER A 55 4.293 -2.178 -5.761 1.00 0.00 O ATOM 824 CB SER A 55 5.014 -4.678 -4.837 1.00 0.00 C ATOM 825 OG SER A 55 5.407 -5.658 -3.891 1.00 0.00 O ATOM 0 H SER A 55 2.947 -5.426 -5.997 1.00 0.00 H new ATOM 0 HA SER A 55 3.448 -4.225 -3.443 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.007 -5.115 -5.835 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.743 -3.868 -4.849 1.00 0.00 H new ATOM 0 HG SER A 55 4.631 -6.201 -3.641 1.00 0.00 H new ATOM 831 N LEU A 56 2.711 -1.909 -4.187 1.00 0.00 N ATOM 832 CA LEU A 56 2.553 -0.483 -4.430 1.00 0.00 C ATOM 833 C LEU A 56 3.869 0.256 -4.206 1.00 0.00 C ATOM 834 O LEU A 56 4.060 1.365 -4.702 1.00 0.00 O ATOM 835 CB LEU A 56 1.456 0.085 -3.524 1.00 0.00 C ATOM 836 CG LEU A 56 0.027 -0.267 -3.939 1.00 0.00 C ATOM 837 CD1 LEU A 56 -0.976 0.501 -3.094 1.00 0.00 C ATOM 838 CD2 LEU A 56 -0.189 0.014 -5.419 1.00 0.00 C ATOM 0 H LEU A 56 2.109 -2.281 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 56 2.260 -0.340 -5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.622 -0.275 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.554 1.170 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.127 -1.333 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.988 0.239 -3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.839 0.244 -2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.821 1.571 -3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.212 -0.244 -5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.016 1.072 -5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.506 -0.585 -6.008 1.00 0.00 H new ATOM 850 N GLY A 57 4.780 -0.368 -3.459 1.00 0.00 N ATOM 851 CA GLY A 57 6.070 0.246 -3.190 1.00 0.00 C ATOM 852 C GLY A 57 5.944 1.679 -2.713 1.00 0.00 C ATOM 853 O GLY A 57 4.844 2.145 -2.421 1.00 0.00 O ATOM 0 H GLY A 57 4.647 -1.287 -3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.597 -0.339 -2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.677 0.220 -4.095 1.00 0.00 H new ATOM 857 N TYR A 58 7.072 2.378 -2.621 1.00 0.00 N ATOM 858 CA TYR A 58 7.069 3.765 -2.156 1.00 0.00 C ATOM 859 C TYR A 58 6.145 4.639 -2.997 1.00 0.00 C ATOM 860 O TYR A 58 6.436 4.940 -4.155 1.00 0.00 O ATOM 861 CB TYR A 58 8.478 4.391 -2.162 1.00 0.00 C ATOM 862 CG TYR A 58 9.617 3.425 -2.427 1.00 0.00 C ATOM 863 CD1 TYR A 58 9.913 3.007 -3.719 1.00 0.00 C ATOM 864 CD2 TYR A 58 10.397 2.940 -1.386 1.00 0.00 C ATOM 865 CE1 TYR A 58 10.955 2.132 -3.964 1.00 0.00 C ATOM 866 CE2 TYR A 58 11.440 2.064 -1.622 1.00 0.00 C ATOM 867 CZ TYR A 58 11.714 1.663 -2.914 1.00 0.00 C ATOM 868 OH TYR A 58 12.751 0.793 -3.153 1.00 0.00 O ATOM 0 H TYR A 58 7.994 2.012 -2.860 1.00 0.00 H new ATOM 0 HA TYR A 58 6.705 3.728 -1.129 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.506 5.175 -2.918 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.648 4.871 -1.198 1.00 0.00 H new ATOM 0 HD1 TYR A 58 9.320 3.371 -4.545 1.00 0.00 H new ATOM 0 HD2 TYR A 58 10.185 3.253 -0.374 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.173 1.817 -4.974 1.00 0.00 H new ATOM 0 HE2 TYR A 58 12.037 1.696 -0.801 1.00 0.00 H new ATOM 0 HH TYR A 58 13.185 0.560 -2.306 1.00 0.00 H new ATOM 878 N PHE A 59 5.056 5.082 -2.382 1.00 0.00 N ATOM 879 CA PHE A 59 4.107 5.969 -3.040 1.00 0.00 C ATOM 880 C PHE A 59 3.853 7.176 -2.155 1.00 0.00 C ATOM 881 O PHE A 59 4.163 7.162 -0.969 1.00 0.00 O ATOM 882 CB PHE A 59 2.781 5.269 -3.316 1.00 0.00 C ATOM 883 CG PHE A 59 2.665 4.704 -4.704 1.00 0.00 C ATOM 884 CD1 PHE A 59 3.701 3.974 -5.262 1.00 0.00 C ATOM 885 CD2 PHE A 59 1.516 4.908 -5.452 1.00 0.00 C ATOM 886 CE1 PHE A 59 3.593 3.457 -6.539 1.00 0.00 C ATOM 887 CE2 PHE A 59 1.402 4.393 -6.729 1.00 0.00 C ATOM 888 CZ PHE A 59 2.442 3.666 -7.274 1.00 0.00 C ATOM 0 H PHE A 59 4.808 4.839 -1.423 1.00 0.00 H new ATOM 0 HA PHE A 59 4.537 6.274 -3.994 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.651 4.462 -2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.968 5.976 -3.154 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.603 3.807 -4.693 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.700 5.477 -5.031 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.408 2.889 -6.962 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.501 4.559 -7.300 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.356 3.262 -8.272 1.00 0.00 H new ATOM 898 N GLY A 60 3.278 8.213 -2.727 1.00 0.00 N ATOM 899 CA GLY A 60 2.991 9.402 -1.951 1.00 0.00 C ATOM 900 C GLY A 60 1.546 9.840 -2.089 1.00 0.00 C ATOM 901 O GLY A 60 0.743 9.143 -2.708 1.00 0.00 O ATOM 0 H GLY A 60 3.004 8.259 -3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.212 9.211 -0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.647 10.211 -2.273 1.00 0.00 H new ATOM 905 N ARG A 61 1.209 10.987 -1.515 1.00 0.00 N ATOM 906 CA ARG A 61 -0.146 11.495 -1.581 1.00 0.00 C ATOM 907 C ARG A 61 -0.337 12.301 -2.851 1.00 0.00 C ATOM 908 O ARG A 61 0.300 13.336 -3.045 1.00 0.00 O ATOM 909 CB ARG A 61 -0.457 12.359 -0.357 1.00 0.00 C ATOM 910 CG ARG A 61 0.612 13.394 -0.051 1.00 0.00 C ATOM 911 CD ARG A 61 0.029 14.601 0.667 1.00 0.00 C ATOM 912 NE ARG A 61 1.058 15.570 1.034 1.00 0.00 N ATOM 913 CZ ARG A 61 0.794 16.792 1.494 1.00 0.00 C ATOM 914 NH1 ARG A 61 -0.460 17.197 1.644 1.00 0.00 N ATOM 915 NH2 ARG A 61 1.789 17.612 1.803 1.00 0.00 N ATOM 0 H ARG A 61 1.859 11.580 -0.999 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.834 10.649 -1.590 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.408 12.868 -0.515 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.582 11.712 0.511 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.390 12.944 0.565 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.086 13.715 -0.979 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.710 15.082 0.026 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.494 14.271 1.564 1.00 0.00 H new ATOM 0 HE ARG A 61 2.035 15.295 0.932 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.230 16.571 1.407 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.655 18.134 1.997 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.756 17.307 1.688 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.588 18.548 2.155 1.00 0.00 H new ATOM 929 N GLY A 62 -1.217 11.822 -3.714 1.00 0.00 N ATOM 930 CA GLY A 62 -1.467 12.517 -4.952 1.00 0.00 C ATOM 931 C GLY A 62 -1.811 11.589 -6.105 1.00 0.00 C ATOM 932 O GLY A 62 -2.255 12.045 -7.159 1.00 0.00 O ATOM 0 H GLY A 62 -1.759 10.969 -3.579 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.285 13.222 -4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.586 13.102 -5.216 1.00 0.00 H new ATOM 936 N LYS A 63 -1.602 10.286 -5.917 1.00 0.00 N ATOM 937 CA LYS A 63 -1.894 9.314 -6.967 1.00 0.00 C ATOM 938 C LYS A 63 -2.712 8.138 -6.438 1.00 0.00 C ATOM 939 O LYS A 63 -2.599 7.020 -6.939 1.00 0.00 O ATOM 940 CB LYS A 63 -0.592 8.802 -7.588 1.00 0.00 C ATOM 941 CG LYS A 63 -0.807 7.924 -8.813 1.00 0.00 C ATOM 942 CD LYS A 63 -0.236 8.563 -10.069 1.00 0.00 C ATOM 943 CE LYS A 63 -1.327 9.200 -10.915 1.00 0.00 C ATOM 944 NZ LYS A 63 -0.843 10.421 -11.617 1.00 0.00 N ATOM 0 H LYS A 63 -1.235 9.883 -5.055 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.488 9.820 -7.728 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.028 9.654 -7.866 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.039 8.236 -6.838 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.337 6.954 -8.652 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.873 7.743 -8.949 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.499 9.319 -9.792 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.288 7.809 -10.656 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.686 8.478 -11.648 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.175 9.458 -10.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.616 10.826 -12.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.524 11.121 -10.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.051 10.171 -12.242 1.00 0.00 H new ATOM 958 N MET A 64 -3.544 8.394 -5.432 1.00 0.00 N ATOM 959 CA MET A 64 -4.383 7.347 -4.857 1.00 0.00 C ATOM 960 C MET A 64 -5.671 7.927 -4.280 1.00 0.00 C ATOM 961 O MET A 64 -5.698 9.069 -3.821 1.00 0.00 O ATOM 962 CB MET A 64 -3.624 6.567 -3.777 1.00 0.00 C ATOM 963 CG MET A 64 -2.712 7.426 -2.914 1.00 0.00 C ATOM 964 SD MET A 64 -1.009 6.833 -2.898 1.00 0.00 S ATOM 965 CE MET A 64 -1.113 5.538 -1.664 1.00 0.00 C ATOM 0 H MET A 64 -3.655 9.311 -5.000 1.00 0.00 H new ATOM 0 HA MET A 64 -4.646 6.660 -5.661 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.345 6.063 -3.134 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.027 5.791 -4.256 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.732 8.452 -3.281 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.096 7.445 -1.894 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.448 5.773 -0.833 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.138 5.464 -1.299 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.817 4.588 -2.108 1.00 0.00 H new ATOM 975 N VAL A 65 -6.737 7.132 -4.313 1.00 0.00 N ATOM 976 CA VAL A 65 -8.035 7.563 -3.800 1.00 0.00 C ATOM 977 C VAL A 65 -7.917 8.089 -2.369 1.00 0.00 C ATOM 978 O VAL A 65 -6.980 7.750 -1.645 1.00 0.00 O ATOM 979 CB VAL A 65 -9.068 6.418 -3.849 1.00 0.00 C ATOM 980 CG1 VAL A 65 -9.271 5.940 -5.281 1.00 0.00 C ATOM 981 CG2 VAL A 65 -8.635 5.267 -2.957 1.00 0.00 C ATOM 0 H VAL A 65 -6.728 6.184 -4.690 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.380 8.371 -4.445 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.019 6.799 -3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.003 5.132 -5.295 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.631 6.767 -5.893 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.324 5.578 -5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.377 4.470 -3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.671 4.887 -3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.546 5.617 -1.929 1.00 0.00 H new ATOM 991 N LYS A 66 -8.865 8.932 -1.976 1.00 0.00 N ATOM 992 CA LYS A 66 -8.871 9.532 -0.643 1.00 0.00 C ATOM 993 C LYS A 66 -8.895 8.488 0.480 1.00 0.00 C ATOM 994 O LYS A 66 -8.125 8.590 1.436 1.00 0.00 O ATOM 995 CB LYS A 66 -10.070 10.472 -0.499 1.00 0.00 C ATOM 996 CG LYS A 66 -9.725 11.805 0.143 1.00 0.00 C ATOM 997 CD LYS A 66 -10.821 12.836 -0.084 1.00 0.00 C ATOM 998 CE LYS A 66 -10.405 13.878 -1.109 1.00 0.00 C ATOM 999 NZ LYS A 66 -11.526 14.244 -2.019 1.00 0.00 N ATOM 0 H LYS A 66 -9.646 9.218 -2.566 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.940 10.090 -0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.499 10.653 -1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.838 9.979 0.097 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.572 11.665 1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.786 12.175 -0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.728 12.335 -0.421 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.060 13.328 0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.049 14.771 -0.595 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.571 13.495 -1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.200 14.957 -2.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.849 13.398 -2.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.313 14.633 -1.461 1.00 0.00 H new ATOM 1013 N PRO A 67 -9.783 7.479 0.401 1.00 0.00 N ATOM 1014 CA PRO A 67 -9.886 6.451 1.439 1.00 0.00 C ATOM 1015 C PRO A 67 -8.635 5.594 1.530 1.00 0.00 C ATOM 1016 O PRO A 67 -8.198 5.220 2.618 1.00 0.00 O ATOM 1017 CB PRO A 67 -11.076 5.592 1.006 1.00 0.00 C ATOM 1018 CG PRO A 67 -11.295 5.892 -0.437 1.00 0.00 C ATOM 1019 CD PRO A 67 -10.752 7.273 -0.687 1.00 0.00 C ATOM 0 HA PRO A 67 -10.009 6.899 2.425 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.868 4.533 1.157 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.963 5.830 1.593 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.788 5.159 -1.064 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.356 5.844 -0.684 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.275 7.343 -1.665 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.543 8.023 -0.664 1.00 0.00 H new ATOM 1027 N PHE A 68 -8.066 5.285 0.375 1.00 0.00 N ATOM 1028 CA PHE A 68 -6.860 4.466 0.315 1.00 0.00 C ATOM 1029 C PHE A 68 -5.645 5.276 0.741 1.00 0.00 C ATOM 1030 O PHE A 68 -4.865 4.844 1.589 1.00 0.00 O ATOM 1031 CB PHE A 68 -6.646 3.913 -1.096 1.00 0.00 C ATOM 1032 CG PHE A 68 -5.556 2.883 -1.173 1.00 0.00 C ATOM 1033 CD1 PHE A 68 -4.225 3.260 -1.101 1.00 0.00 C ATOM 1034 CD2 PHE A 68 -5.862 1.539 -1.320 1.00 0.00 C ATOM 1035 CE1 PHE A 68 -3.219 2.316 -1.174 1.00 0.00 C ATOM 1036 CE2 PHE A 68 -4.860 0.591 -1.393 1.00 0.00 C ATOM 1037 CZ PHE A 68 -3.537 0.980 -1.319 1.00 0.00 C ATOM 0 H PHE A 68 -8.417 5.587 -0.534 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.988 3.629 1.001 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.578 3.473 -1.451 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.406 4.736 -1.769 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.971 4.303 -0.987 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.895 1.230 -1.378 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.185 2.623 -1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.111 -0.453 -1.508 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.752 0.240 -1.374 1.00 0.00 H new ATOM 1047 N GLU A 69 -5.496 6.459 0.155 1.00 0.00 N ATOM 1048 CA GLU A 69 -4.382 7.335 0.480 1.00 0.00 C ATOM 1049 C GLU A 69 -4.332 7.588 1.982 1.00 0.00 C ATOM 1050 O GLU A 69 -3.256 7.683 2.572 1.00 0.00 O ATOM 1051 CB GLU A 69 -4.525 8.659 -0.275 1.00 0.00 C ATOM 1052 CG GLU A 69 -3.213 9.404 -0.460 1.00 0.00 C ATOM 1053 CD GLU A 69 -3.272 10.827 0.061 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -3.274 11.007 1.296 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -3.318 11.761 -0.767 1.00 0.00 O ATOM 0 H GLU A 69 -6.135 6.831 -0.548 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.452 6.853 0.178 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.962 8.463 -1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.223 9.300 0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.418 8.865 0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.954 9.419 -1.519 1.00 0.00 H new ATOM 1062 N ASP A 70 -5.507 7.678 2.593 1.00 0.00 N ATOM 1063 CA ASP A 70 -5.606 7.908 4.027 1.00 0.00 C ATOM 1064 C ASP A 70 -5.116 6.691 4.806 1.00 0.00 C ATOM 1065 O ASP A 70 -4.297 6.813 5.718 1.00 0.00 O ATOM 1066 CB ASP A 70 -7.051 8.229 4.415 1.00 0.00 C ATOM 1067 CG ASP A 70 -7.146 8.958 5.741 1.00 0.00 C ATOM 1068 OD1 ASP A 70 -6.877 8.331 6.786 1.00 0.00 O ATOM 1069 OD2 ASP A 70 -7.489 10.159 5.733 1.00 0.00 O ATOM 0 H ASP A 70 -6.405 7.595 2.116 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.973 8.759 4.279 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.507 8.839 3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.623 7.303 4.471 1.00 0.00 H new ATOM 1074 N ALA A 71 -5.624 5.519 4.442 1.00 0.00 N ATOM 1075 CA ALA A 71 -5.240 4.276 5.103 1.00 0.00 C ATOM 1076 C ALA A 71 -3.845 3.821 4.681 1.00 0.00 C ATOM 1077 O ALA A 71 -3.279 2.902 5.273 1.00 0.00 O ATOM 1078 CB ALA A 71 -6.262 3.188 4.809 1.00 0.00 C ATOM 0 H ALA A 71 -6.304 5.403 3.691 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.215 4.464 6.176 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.965 2.265 5.307 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.240 3.499 5.175 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.314 3.019 3.733 1.00 0.00 H new ATOM 1084 N ALA A 72 -3.295 4.461 3.652 1.00 0.00 N ATOM 1085 CA ALA A 72 -1.970 4.106 3.154 1.00 0.00 C ATOM 1086 C ALA A 72 -0.885 4.390 4.190 1.00 0.00 C ATOM 1087 O ALA A 72 0.000 3.565 4.416 1.00 0.00 O ATOM 1088 CB ALA A 72 -1.677 4.855 1.864 1.00 0.00 C ATOM 0 H ALA A 72 -3.745 5.226 3.149 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.965 3.034 2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.686 4.582 1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.423 4.592 1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.712 5.928 2.050 1.00 0.00 H new ATOM 1094 N PHE A 73 -0.955 5.564 4.808 1.00 0.00 N ATOM 1095 CA PHE A 73 0.029 5.962 5.812 1.00 0.00 C ATOM 1096 C PHE A 73 -0.491 5.741 7.232 1.00 0.00 C ATOM 1097 O PHE A 73 0.049 6.296 8.189 1.00 0.00 O ATOM 1098 CB PHE A 73 0.414 7.431 5.626 1.00 0.00 C ATOM 1099 CG PHE A 73 -0.762 8.337 5.390 1.00 0.00 C ATOM 1100 CD1 PHE A 73 -1.750 8.478 6.349 1.00 0.00 C ATOM 1101 CD2 PHE A 73 -0.875 9.049 4.206 1.00 0.00 C ATOM 1102 CE1 PHE A 73 -2.831 9.310 6.133 1.00 0.00 C ATOM 1103 CE2 PHE A 73 -1.954 9.884 3.983 1.00 0.00 C ATOM 1104 CZ PHE A 73 -2.933 10.015 4.949 1.00 0.00 C ATOM 0 H PHE A 73 -1.682 6.258 4.632 1.00 0.00 H new ATOM 0 HA PHE A 73 0.909 5.335 5.673 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.952 7.771 6.511 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.101 7.514 4.783 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.675 7.931 7.277 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.111 8.950 3.449 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.596 9.409 6.889 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.031 10.433 3.056 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.777 10.667 4.779 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.541 4.936 7.370 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.118 4.663 8.680 1.00 0.00 C ATOM 1116 C ARG A 74 -1.549 3.377 9.268 1.00 0.00 C ATOM 1117 O ARG A 74 -1.475 3.221 10.487 1.00 0.00 O ATOM 1118 CB ARG A 74 -3.643 4.567 8.581 1.00 0.00 C ATOM 1119 CG ARG A 74 -4.372 5.354 9.659 1.00 0.00 C ATOM 1120 CD ARG A 74 -5.881 5.281 9.482 1.00 0.00 C ATOM 1121 NE ARG A 74 -6.518 6.579 9.689 1.00 0.00 N ATOM 1122 CZ ARG A 74 -7.817 6.737 9.936 1.00 0.00 C ATOM 1123 NH1 ARG A 74 -8.619 5.681 10.008 1.00 0.00 N ATOM 1124 NH2 ARG A 74 -8.315 7.954 10.112 1.00 0.00 N ATOM 0 H ARG A 74 -2.006 4.464 6.595 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.858 5.488 9.343 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.959 4.928 7.602 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.938 3.520 8.645 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.101 4.965 10.640 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.052 6.395 9.629 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.112 4.919 8.480 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.294 4.558 10.185 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.933 7.414 9.642 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.241 4.743 9.874 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.613 5.808 10.197 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.703 8.768 10.058 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.310 8.075 10.301 1.00 0.00 H new ATOM 1138 N LEU A 75 -1.157 2.455 8.396 1.00 0.00 N ATOM 1139 CA LEU A 75 -0.603 1.181 8.836 1.00 0.00 C ATOM 1140 C LEU A 75 0.910 1.141 8.677 1.00 0.00 C ATOM 1141 O LEU A 75 1.446 0.349 7.901 1.00 0.00 O ATOM 1142 CB LEU A 75 -1.244 0.030 8.064 1.00 0.00 C ATOM 1143 CG LEU A 75 -2.720 -0.234 8.368 1.00 0.00 C ATOM 1144 CD1 LEU A 75 -3.006 -1.713 8.245 1.00 0.00 C ATOM 1145 CD2 LEU A 75 -3.100 0.258 9.761 1.00 0.00 C ATOM 0 H LEU A 75 -1.212 2.566 7.384 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.829 1.071 9.897 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.142 0.231 6.998 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.681 -0.880 8.272 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.321 0.318 7.645 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.058 -1.899 8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.780 -2.044 7.231 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.386 -2.263 8.953 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.155 0.054 9.943 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.496 -0.259 10.507 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.920 1.331 9.829 1.00 0.00 H new ATOM 1157 N GLN A 76 1.595 1.983 9.435 1.00 0.00 N ATOM 1158 CA GLN A 76 3.050 2.028 9.398 1.00 0.00 C ATOM 1159 C GLN A 76 3.627 0.814 10.122 1.00 0.00 C ATOM 1160 O GLN A 76 4.793 0.462 9.943 1.00 0.00 O ATOM 1161 CB GLN A 76 3.557 3.317 10.045 1.00 0.00 C ATOM 1162 CG GLN A 76 3.576 4.504 9.094 1.00 0.00 C ATOM 1163 CD GLN A 76 4.805 5.374 9.273 1.00 0.00 C ATOM 1164 OE1 GLN A 76 5.268 5.594 10.393 1.00 0.00 O ATOM 1165 NE2 GLN A 76 5.340 5.877 8.166 1.00 0.00 N ATOM 0 H GLN A 76 1.168 2.645 10.083 1.00 0.00 H new ATOM 0 HA GLN A 76 3.376 2.009 8.358 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.927 3.557 10.901 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.564 3.151 10.427 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.538 4.142 8.066 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.682 5.107 9.253 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.924 5.669 7.258 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.167 6.471 8.224 1.00 0.00 H new ATOM 1174 N VAL A 77 2.789 0.175 10.935 1.00 0.00 N ATOM 1175 CA VAL A 77 3.186 -1.007 11.690 1.00 0.00 C ATOM 1176 C VAL A 77 3.446 -2.186 10.756 1.00 0.00 C ATOM 1177 O VAL A 77 4.213 -3.092 11.084 1.00 0.00 O ATOM 1178 CB VAL A 77 2.099 -1.403 12.719 1.00 0.00 C ATOM 1179 CG1 VAL A 77 0.719 -1.369 12.080 1.00 0.00 C ATOM 1180 CG2 VAL A 77 2.375 -2.778 13.317 1.00 0.00 C ATOM 0 H VAL A 77 1.822 0.461 11.087 1.00 0.00 H new ATOM 0 HA VAL A 77 4.105 -0.759 12.222 1.00 0.00 H new ATOM 0 HB VAL A 77 2.127 -0.674 13.529 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.031 -1.650 12.819 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.511 -0.363 11.717 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.687 -2.070 11.246 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.594 -3.026 14.035 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.388 -3.524 12.523 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.341 -2.768 13.821 1.00 0.00 H new ATOM 1190 N GLY A 78 2.790 -2.177 9.601 1.00 0.00 N ATOM 1191 CA GLY A 78 2.955 -3.261 8.655 1.00 0.00 C ATOM 1192 C GLY A 78 1.865 -4.286 8.800 1.00 0.00 C ATOM 1193 O GLY A 78 2.128 -5.452 9.096 1.00 0.00 O ATOM 0 H GLY A 78 2.149 -1.441 9.305 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.950 -2.864 7.640 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.925 -3.735 8.808 1.00 0.00 H new ATOM 1197 N GLU A 79 0.637 -3.841 8.626 1.00 0.00 N ATOM 1198 CA GLU A 79 -0.507 -4.714 8.774 1.00 0.00 C ATOM 1199 C GLU A 79 -1.555 -4.420 7.719 1.00 0.00 C ATOM 1200 O GLU A 79 -1.418 -3.481 6.936 1.00 0.00 O ATOM 1201 CB GLU A 79 -1.097 -4.506 10.158 1.00 0.00 C ATOM 1202 CG GLU A 79 -1.851 -5.702 10.703 1.00 0.00 C ATOM 1203 CD GLU A 79 -3.327 -5.423 10.904 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -3.664 -4.314 11.371 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -4.147 -6.313 10.592 1.00 0.00 O ATOM 0 H GLU A 79 0.407 -2.878 8.382 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.187 -5.748 8.649 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.292 -4.254 10.849 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.771 -3.650 10.127 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.735 -6.542 10.018 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.410 -6.002 11.654 1.00 0.00 H new ATOM 1212 N VAL A 80 -2.614 -5.215 7.714 1.00 0.00 N ATOM 1213 CA VAL A 80 -3.690 -5.012 6.767 1.00 0.00 C ATOM 1214 C VAL A 80 -4.652 -3.955 7.292 1.00 0.00 C ATOM 1215 O VAL A 80 -4.836 -3.826 8.502 1.00 0.00 O ATOM 1216 CB VAL A 80 -4.466 -6.315 6.484 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -5.497 -6.092 5.390 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -3.514 -7.442 6.107 1.00 0.00 C ATOM 0 H VAL A 80 -2.748 -6.000 8.351 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.241 -4.679 5.831 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.989 -6.607 7.395 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.035 -7.021 5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.201 -5.322 5.705 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.995 -5.773 4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.084 -8.350 5.912 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.957 -7.164 5.212 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.818 -7.620 6.927 1.00 0.00 H new ATOM 1228 N SER A 81 -5.257 -3.190 6.389 1.00 0.00 N ATOM 1229 CA SER A 81 -6.180 -2.137 6.796 1.00 0.00 C ATOM 1230 C SER A 81 -7.626 -2.546 6.548 1.00 0.00 C ATOM 1231 O SER A 81 -7.908 -3.447 5.757 1.00 0.00 O ATOM 1232 CB SER A 81 -5.871 -0.840 6.045 1.00 0.00 C ATOM 1233 OG SER A 81 -6.166 0.294 6.842 1.00 0.00 O ATOM 0 H SER A 81 -5.127 -3.278 5.381 1.00 0.00 H new ATOM 0 HA SER A 81 -6.049 -1.973 7.866 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.819 -0.824 5.759 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.453 -0.802 5.124 1.00 0.00 H new ATOM 0 HG SER A 81 -5.351 0.822 6.974 1.00 0.00 H new ATOM 1239 N GLU A 82 -8.538 -1.884 7.254 1.00 0.00 N ATOM 1240 CA GLU A 82 -9.964 -2.174 7.150 1.00 0.00 C ATOM 1241 C GLU A 82 -10.441 -2.195 5.700 1.00 0.00 C ATOM 1242 O GLU A 82 -9.806 -1.630 4.806 1.00 0.00 O ATOM 1243 CB GLU A 82 -10.768 -1.145 7.945 1.00 0.00 C ATOM 1244 CG GLU A 82 -10.932 -1.504 9.412 1.00 0.00 C ATOM 1245 CD GLU A 82 -11.719 -0.463 10.185 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -11.266 0.699 10.243 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -12.788 -0.811 10.729 1.00 0.00 O ATOM 0 H GLU A 82 -8.311 -1.136 7.910 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.125 -3.169 7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.276 -0.175 7.870 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.754 -1.039 7.493 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.436 -2.467 9.492 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.948 -1.620 9.866 1.00 0.00 H new ATOM 1254 N PRO A 83 -11.585 -2.848 5.453 1.00 0.00 N ATOM 1255 CA PRO A 83 -12.161 -2.942 4.114 1.00 0.00 C ATOM 1256 C PRO A 83 -12.456 -1.570 3.525 1.00 0.00 C ATOM 1257 O PRO A 83 -13.431 -0.919 3.902 1.00 0.00 O ATOM 1258 CB PRO A 83 -13.463 -3.725 4.324 1.00 0.00 C ATOM 1259 CG PRO A 83 -13.747 -3.629 5.784 1.00 0.00 C ATOM 1260 CD PRO A 83 -12.409 -3.539 6.456 1.00 0.00 C ATOM 0 HA PRO A 83 -11.478 -3.421 3.412 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.277 -3.300 3.736 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.352 -4.764 4.012 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.356 -2.753 6.007 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -14.302 -4.500 6.132 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.463 -2.980 7.390 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.011 -4.525 6.697 1.00 0.00 H new ATOM 1268 N VAL A 84 -11.611 -1.138 2.601 1.00 0.00 N ATOM 1269 CA VAL A 84 -11.786 0.159 1.961 1.00 0.00 C ATOM 1270 C VAL A 84 -12.398 -0.003 0.575 1.00 0.00 C ATOM 1271 O VAL A 84 -11.712 -0.369 -0.379 1.00 0.00 O ATOM 1272 CB VAL A 84 -10.451 0.915 1.823 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -10.657 2.226 1.081 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -9.822 1.164 3.185 1.00 0.00 C ATOM 0 H VAL A 84 -10.799 -1.664 2.278 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.454 0.736 2.600 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.767 0.293 1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.704 2.747 0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.053 2.023 0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.362 2.849 1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.881 1.699 3.059 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.500 1.761 3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.634 0.211 3.679 1.00 0.00 H new ATOM 1284 N LYS A 85 -13.692 0.275 0.473 1.00 0.00 N ATOM 1285 CA LYS A 85 -14.396 0.162 -0.796 1.00 0.00 C ATOM 1286 C LYS A 85 -14.383 1.490 -1.544 1.00 0.00 C ATOM 1287 O LYS A 85 -14.999 2.464 -1.112 1.00 0.00 O ATOM 1288 CB LYS A 85 -15.840 -0.291 -0.559 1.00 0.00 C ATOM 1289 CG LYS A 85 -16.694 -0.318 -1.819 1.00 0.00 C ATOM 1290 CD LYS A 85 -16.020 -1.093 -2.939 1.00 0.00 C ATOM 1291 CE LYS A 85 -17.039 -1.776 -3.838 1.00 0.00 C ATOM 1292 NZ LYS A 85 -17.266 -1.019 -5.102 1.00 0.00 N ATOM 0 H LYS A 85 -14.274 0.580 1.253 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.883 -0.582 -1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -15.830 -1.288 -0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.304 0.375 0.168 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -17.660 -0.770 -1.594 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -16.888 0.703 -2.149 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -15.406 -0.416 -3.533 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -15.350 -1.840 -2.514 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -16.696 -2.783 -4.075 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -17.983 -1.879 -3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -17.537 -1.679 -5.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -18.028 -0.325 -4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -16.392 -0.523 -5.371 1.00 0.00 H new ATOM 1306 N SER A 86 -13.684 1.518 -2.670 1.00 0.00 N ATOM 1307 CA SER A 86 -13.595 2.721 -3.485 1.00 0.00 C ATOM 1308 C SER A 86 -14.422 2.565 -4.755 1.00 0.00 C ATOM 1309 O SER A 86 -15.143 1.580 -4.921 1.00 0.00 O ATOM 1310 CB SER A 86 -12.137 3.018 -3.841 1.00 0.00 C ATOM 1311 OG SER A 86 -11.603 4.028 -3.004 1.00 0.00 O ATOM 0 H SER A 86 -13.169 0.719 -3.040 1.00 0.00 H new ATOM 0 HA SER A 86 -13.992 3.557 -2.909 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.543 2.109 -3.743 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.071 3.332 -4.883 1.00 0.00 H new ATOM 0 HG SER A 86 -11.462 4.845 -3.526 1.00 0.00 H new ATOM 1317 N GLU A 87 -14.313 3.537 -5.653 1.00 0.00 N ATOM 1318 CA GLU A 87 -15.050 3.499 -6.910 1.00 0.00 C ATOM 1319 C GLU A 87 -14.638 2.292 -7.752 1.00 0.00 C ATOM 1320 O GLU A 87 -15.332 1.916 -8.696 1.00 0.00 O ATOM 1321 CB GLU A 87 -14.816 4.787 -7.701 1.00 0.00 C ATOM 1322 CG GLU A 87 -13.351 5.054 -8.011 1.00 0.00 C ATOM 1323 CD GLU A 87 -13.050 6.530 -8.173 1.00 0.00 C ATOM 1324 OE1 GLU A 87 -13.209 7.280 -7.186 1.00 0.00 O ATOM 1325 OE2 GLU A 87 -12.653 6.937 -9.285 1.00 0.00 O ATOM 0 H GLU A 87 -13.722 4.360 -5.534 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.111 3.409 -6.675 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.373 4.735 -8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.218 5.628 -7.137 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.734 4.647 -7.210 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.075 4.528 -8.925 1.00 0.00 H new ATOM 1332 N PHE A 88 -13.500 1.689 -7.408 1.00 0.00 N ATOM 1333 CA PHE A 88 -12.995 0.533 -8.136 1.00 0.00 C ATOM 1334 C PHE A 88 -13.450 -0.778 -7.493 1.00 0.00 C ATOM 1335 O PHE A 88 -13.772 -1.739 -8.190 1.00 0.00 O ATOM 1336 CB PHE A 88 -11.467 0.585 -8.202 1.00 0.00 C ATOM 1337 CG PHE A 88 -10.941 1.178 -9.478 1.00 0.00 C ATOM 1338 CD1 PHE A 88 -11.034 0.479 -10.671 1.00 0.00 C ATOM 1339 CD2 PHE A 88 -10.352 2.431 -9.484 1.00 0.00 C ATOM 1340 CE1 PHE A 88 -10.550 1.022 -11.847 1.00 0.00 C ATOM 1341 CE2 PHE A 88 -9.867 2.979 -10.656 1.00 0.00 C ATOM 1342 CZ PHE A 88 -9.966 2.273 -11.839 1.00 0.00 C ATOM 0 H PHE A 88 -12.912 1.985 -6.628 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.403 0.567 -9.146 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.095 1.168 -7.360 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.072 -0.425 -8.090 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.489 -0.500 -10.682 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.271 2.987 -8.562 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.629 0.468 -12.771 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -9.411 3.958 -10.647 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.587 2.699 -12.756 1.00 0.00 H new ATOM 1352 N GLY A 89 -13.472 -0.814 -6.161 1.00 0.00 N ATOM 1353 CA GLY A 89 -13.888 -2.021 -5.463 1.00 0.00 C ATOM 1354 C GLY A 89 -13.409 -2.066 -4.027 1.00 0.00 C ATOM 1355 O GLY A 89 -12.922 -1.070 -3.493 1.00 0.00 O ATOM 0 H GLY A 89 -13.211 -0.035 -5.557 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -14.976 -2.088 -5.480 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.507 -2.892 -5.995 1.00 0.00 H new ATOM 1359 N TYR A 90 -13.550 -3.231 -3.404 1.00 0.00 N ATOM 1360 CA TYR A 90 -13.134 -3.422 -2.030 1.00 0.00 C ATOM 1361 C TYR A 90 -11.618 -3.571 -1.966 1.00 0.00 C ATOM 1362 O TYR A 90 -11.072 -4.636 -2.257 1.00 0.00 O ATOM 1363 CB TYR A 90 -13.836 -4.656 -1.467 1.00 0.00 C ATOM 1364 CG TYR A 90 -14.838 -4.342 -0.378 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -16.033 -3.699 -0.677 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -14.594 -4.691 0.944 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -16.955 -3.412 0.310 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -15.513 -4.407 1.937 1.00 0.00 C ATOM 1369 CZ TYR A 90 -16.690 -3.767 1.614 1.00 0.00 C ATOM 1370 OH TYR A 90 -17.607 -3.482 2.601 1.00 0.00 O ATOM 0 H TYR A 90 -13.954 -4.061 -3.838 1.00 0.00 H new ATOM 0 HA TYR A 90 -13.411 -2.556 -1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.346 -5.175 -2.279 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.086 -5.341 -1.072 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -16.244 -3.419 -1.698 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -13.672 -5.192 1.200 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -17.879 -2.912 0.061 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -15.310 -4.685 2.961 1.00 0.00 H new ATOM 0 HH TYR A 90 -18.306 -4.169 2.607 1.00 0.00 H new ATOM 1380 N HIS A 91 -10.943 -2.482 -1.616 1.00 0.00 N ATOM 1381 CA HIS A 91 -9.488 -2.464 -1.551 1.00 0.00 C ATOM 1382 C HIS A 91 -8.953 -2.893 -0.187 1.00 0.00 C ATOM 1383 O HIS A 91 -9.682 -2.937 0.804 1.00 0.00 O ATOM 1384 CB HIS A 91 -8.973 -1.065 -1.881 1.00 0.00 C ATOM 1385 CG HIS A 91 -9.165 -0.678 -3.314 1.00 0.00 C ATOM 1386 ND1 HIS A 91 -10.397 -0.675 -3.932 1.00 0.00 N ATOM 1387 CD2 HIS A 91 -8.273 -0.280 -4.252 1.00 0.00 C ATOM 1388 CE1 HIS A 91 -10.256 -0.292 -5.188 1.00 0.00 C ATOM 1389 NE2 HIS A 91 -8.977 -0.046 -5.407 1.00 0.00 N ATOM 0 H HIS A 91 -11.384 -1.595 -1.372 1.00 0.00 H new ATOM 0 HA HIS A 91 -9.127 -3.186 -2.284 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.483 -0.340 -1.246 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.912 -1.011 -1.638 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -11.280 -0.929 -3.489 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.207 -0.168 -4.117 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.051 -0.196 -5.913 1.00 0.00 H new ATOM 1398 N VAL A 92 -7.659 -3.188 -0.164 1.00 0.00 N ATOM 1399 CA VAL A 92 -6.960 -3.597 1.046 1.00 0.00 C ATOM 1400 C VAL A 92 -5.548 -3.019 1.027 1.00 0.00 C ATOM 1401 O VAL A 92 -5.002 -2.771 -0.047 1.00 0.00 O ATOM 1402 CB VAL A 92 -6.883 -5.131 1.165 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -6.256 -5.535 2.487 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -8.265 -5.748 1.010 1.00 0.00 C ATOM 0 H VAL A 92 -7.062 -3.150 -0.990 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.515 -3.220 1.905 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.250 -5.507 0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.211 -6.622 2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.248 -5.126 2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.858 -5.148 3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.191 -6.832 1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.924 -5.365 1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.671 -5.489 0.032 1.00 0.00 H new ATOM 1414 N ILE A 93 -4.959 -2.784 2.197 1.00 0.00 N ATOM 1415 CA ILE A 93 -3.614 -2.211 2.242 1.00 0.00 C ATOM 1416 C ILE A 93 -2.736 -2.841 3.317 1.00 0.00 C ATOM 1417 O ILE A 93 -3.054 -2.797 4.505 1.00 0.00 O ATOM 1418 CB ILE A 93 -3.653 -0.684 2.481 1.00 0.00 C ATOM 1419 CG1 ILE A 93 -5.062 -0.133 2.226 1.00 0.00 C ATOM 1420 CG2 ILE A 93 -2.622 0.009 1.596 1.00 0.00 C ATOM 1421 CD1 ILE A 93 -5.136 1.380 2.195 1.00 0.00 C ATOM 0 H ILE A 93 -5.378 -2.975 3.107 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.180 -2.426 1.266 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.402 -0.483 3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.427 -0.524 1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.732 -0.503 3.002 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.656 1.084 1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.627 -0.366 1.835 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.845 -0.196 0.549 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.164 1.690 2.010 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.803 1.780 3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.494 1.759 1.400 1.00 0.00 H new ATOM 1433 N LYS A 94 -1.608 -3.391 2.882 1.00 0.00 N ATOM 1434 CA LYS A 94 -0.643 -3.996 3.788 1.00 0.00 C ATOM 1435 C LYS A 94 0.751 -3.444 3.508 1.00 0.00 C ATOM 1436 O LYS A 94 1.350 -3.741 2.473 1.00 0.00 O ATOM 1437 CB LYS A 94 -0.653 -5.516 3.657 1.00 0.00 C ATOM 1438 CG LYS A 94 -0.010 -6.233 4.833 1.00 0.00 C ATOM 1439 CD LYS A 94 1.507 -6.102 4.807 1.00 0.00 C ATOM 1440 CE LYS A 94 2.186 -7.426 5.123 1.00 0.00 C ATOM 1441 NZ LYS A 94 2.945 -7.954 3.956 1.00 0.00 N ATOM 0 H LYS A 94 -1.339 -3.429 1.899 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.923 -3.745 4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.683 -5.857 3.554 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.132 -5.797 2.742 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.396 -5.822 5.766 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.285 -7.287 4.812 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.826 -5.753 3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.821 -5.349 5.530 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.863 -7.294 5.967 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.435 -8.155 5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.393 -8.857 4.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.295 -8.104 3.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.679 -7.270 3.681 1.00 0.00 H new ATOM 1455 N ARG A 95 1.253 -2.622 4.420 1.00 0.00 N ATOM 1456 CA ARG A 95 2.563 -2.008 4.260 1.00 0.00 C ATOM 1457 C ARG A 95 3.671 -3.043 4.104 1.00 0.00 C ATOM 1458 O ARG A 95 3.733 -4.037 4.828 1.00 0.00 O ATOM 1459 CB ARG A 95 2.868 -1.084 5.441 1.00 0.00 C ATOM 1460 CG ARG A 95 4.207 -0.372 5.330 1.00 0.00 C ATOM 1461 CD ARG A 95 4.952 -0.369 6.654 1.00 0.00 C ATOM 1462 NE ARG A 95 6.308 0.156 6.519 1.00 0.00 N ATOM 1463 CZ ARG A 95 6.599 1.454 6.455 1.00 0.00 C ATOM 1464 NH1 ARG A 95 5.632 2.361 6.514 1.00 0.00 N ATOM 1465 NH2 ARG A 95 7.859 1.845 6.332 1.00 0.00 N ATOM 0 H ARG A 95 0.770 -2.365 5.281 1.00 0.00 H new ATOM 0 HA ARG A 95 2.532 -1.422 3.341 1.00 0.00 H new ATOM 0 HB2 ARG A 95 2.076 -0.339 5.522 1.00 0.00 H new ATOM 0 HB3 ARG A 95 2.852 -1.668 6.361 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.817 -0.860 4.570 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.047 0.654 5.000 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.401 0.232 7.378 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.994 -1.384 7.048 1.00 0.00 H new ATOM 0 HE ARG A 95 7.078 -0.511 6.471 1.00 0.00 H new ATOM 0 HH11 ARG A 95 4.660 2.065 6.609 1.00 0.00 H new ATOM 0 HH12 ARG A 95 5.860 3.354 6.465 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.606 1.152 6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.082 2.839 6.283 1.00 0.00 H new ATOM 1479 N LEU A 96 4.547 -2.771 3.144 1.00 0.00 N ATOM 1480 CA LEU A 96 5.678 -3.608 2.835 1.00 0.00 C ATOM 1481 C LEU A 96 6.774 -2.757 2.192 1.00 0.00 C ATOM 1482 O LEU A 96 6.591 -2.192 1.114 1.00 0.00 O ATOM 1483 CB LEU A 96 5.248 -4.731 1.883 1.00 0.00 C ATOM 1484 CG LEU A 96 5.445 -4.449 0.385 1.00 0.00 C ATOM 1485 CD1 LEU A 96 6.883 -4.732 -0.029 1.00 0.00 C ATOM 1486 CD2 LEU A 96 4.474 -5.268 -0.451 1.00 0.00 C ATOM 0 H LEU A 96 4.481 -1.943 2.552 1.00 0.00 H new ATOM 0 HA LEU A 96 6.064 -4.057 3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.804 -5.633 2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.194 -4.946 2.058 1.00 0.00 H new ATOM 0 HG LEU A 96 5.239 -3.394 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.003 -4.526 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.558 -4.095 0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.119 -5.778 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.632 -5.052 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.642 -6.329 -0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.451 -5.010 -0.177 1.00 0.00 H new ATOM 1498 N GLY A 97 7.905 -2.661 2.859 1.00 0.00 N ATOM 1499 CA GLY A 97 9.005 -1.880 2.334 1.00 0.00 C ATOM 1500 C GLY A 97 10.342 -2.289 2.921 1.00 0.00 C ATOM 1501 O GLY A 97 10.907 -1.506 3.713 1.00 0.00 O ATOM 1502 OXT GLY A 97 10.824 -3.392 2.588 1.00 0.00 O ATOM 0 H GLY A 97 8.086 -3.109 3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.039 -1.990 1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.828 -0.825 2.542 1.00 0.00 H new