USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=15 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 Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -166:sc= -0.388 (180deg=-0.403) USER MOD Single : A 12 CYS SG : rot 164:sc= -11.5! USER MOD Single : A 13 SER OG : rot 61:sc= -0.415 USER MOD Single : A 14 HIS : no HE2:sc= -6.66! C(o=-6.7!,f=-9.3!) USER MOD Single : A 18 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00138) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -4.62! C(o=-4.6!,f=-5.3!) USER MOD Single : A 31 LYS NZ :NH3+ -141:sc= 1.13 (180deg=-0.673) 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+ 170:sc= 0 (180deg=-0.0712) USER MOD Single : A 44 SER OG : rot -120:sc= -3.61! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 103:sc= 0.526 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 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 81 SER OG : rot -120:sc= -1.11 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 160:sc=-0.00341 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -12.4! C(o=-12!,f=-17!) USER MOD Single : A 94 LYS NZ :NH3+ -140:sc= -0.783 (180deg=-3.42!) USER MOD ----------------------------------------------------------------- ATOM 98 N LYS A 9 7.606 8.322 1.130 1.00 0.00 N ATOM 99 CA LYS A 9 6.571 7.488 0.559 1.00 0.00 C ATOM 100 C LYS A 9 6.235 6.328 1.477 1.00 0.00 C ATOM 101 O LYS A 9 6.989 6.001 2.394 1.00 0.00 O ATOM 102 CB LYS A 9 7.049 6.941 -0.778 1.00 0.00 C ATOM 103 CG LYS A 9 6.980 7.932 -1.922 1.00 0.00 C ATOM 104 CD LYS A 9 7.827 9.161 -1.657 1.00 0.00 C ATOM 105 CE LYS A 9 6.988 10.300 -1.113 1.00 0.00 C ATOM 106 NZ LYS A 9 7.299 11.593 -1.784 1.00 0.00 N ATOM 0 HA LYS A 9 5.676 8.095 0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.079 6.601 -0.670 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.450 6.067 -1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.316 7.450 -2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.944 8.232 -2.080 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.616 8.915 -0.946 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.316 9.475 -2.579 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.931 10.068 -1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.160 10.397 -0.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.703 12.345 -1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.301 11.829 -1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.110 11.509 -2.803 1.00 0.00 H new ATOM 120 N ILE A 10 5.108 5.695 1.202 1.00 0.00 N ATOM 121 CA ILE A 10 4.670 4.551 1.976 1.00 0.00 C ATOM 122 C ILE A 10 4.752 3.315 1.116 1.00 0.00 C ATOM 123 O ILE A 10 4.407 3.336 -0.064 1.00 0.00 O ATOM 124 CB ILE A 10 3.230 4.694 2.513 1.00 0.00 C ATOM 125 CG1 ILE A 10 2.793 6.155 2.511 1.00 0.00 C ATOM 126 CG2 ILE A 10 3.132 4.113 3.916 1.00 0.00 C ATOM 127 CD1 ILE A 10 1.326 6.337 2.819 1.00 0.00 C ATOM 0 H ILE A 10 4.478 5.957 0.444 1.00 0.00 H new ATOM 0 HA ILE A 10 5.329 4.480 2.841 1.00 0.00 H new ATOM 0 HB ILE A 10 2.562 4.139 1.855 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.383 6.705 3.244 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.010 6.591 1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.111 4.220 4.284 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.400 3.057 3.892 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.814 4.646 4.579 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.080 7.399 2.802 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.730 5.814 2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.108 5.930 3.806 1.00 0.00 H new ATOM 139 N LYS A 11 5.222 2.246 1.710 1.00 0.00 N ATOM 140 CA LYS A 11 5.373 0.993 1.002 1.00 0.00 C ATOM 141 C LYS A 11 4.336 -0.007 1.485 1.00 0.00 C ATOM 142 O LYS A 11 4.514 -0.655 2.513 1.00 0.00 O ATOM 143 CB LYS A 11 6.795 0.471 1.193 1.00 0.00 C ATOM 144 CG LYS A 11 7.856 1.564 1.053 1.00 0.00 C ATOM 145 CD LYS A 11 8.919 1.448 2.133 1.00 0.00 C ATOM 146 CE LYS A 11 10.153 0.725 1.619 1.00 0.00 C ATOM 147 NZ LYS A 11 11.401 1.484 1.908 1.00 0.00 N ATOM 0 H LYS A 11 5.509 2.216 2.688 1.00 0.00 H new ATOM 0 HA LYS A 11 5.208 1.146 -0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.879 0.015 2.179 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.990 -0.313 0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.324 1.495 0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.381 2.543 1.112 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.197 2.443 2.481 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.512 0.912 2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.213 -0.262 2.078 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.062 0.571 0.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.184 1.092 1.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.264 2.485 1.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.628 1.407 2.920 1.00 0.00 H new ATOM 161 N CYS A 12 3.232 -0.091 0.748 1.00 0.00 N ATOM 162 CA CYS A 12 2.133 -0.977 1.103 1.00 0.00 C ATOM 163 C CYS A 12 1.741 -1.874 -0.073 1.00 0.00 C ATOM 164 O CYS A 12 2.326 -1.792 -1.151 1.00 0.00 O ATOM 165 CB CYS A 12 0.939 -0.126 1.555 1.00 0.00 C ATOM 166 SG CYS A 12 -0.177 -0.923 2.728 1.00 0.00 S ATOM 0 H CYS A 12 3.077 0.448 -0.104 1.00 0.00 H new ATOM 0 HA CYS A 12 2.449 -1.631 1.916 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.318 0.792 2.005 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.367 0.164 0.674 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.930 -0.024 3.290 1.00 0.00 H new ATOM 172 N SER A 13 0.752 -2.734 0.147 1.00 0.00 N ATOM 173 CA SER A 13 0.273 -3.642 -0.889 1.00 0.00 C ATOM 174 C SER A 13 -1.235 -3.489 -1.055 1.00 0.00 C ATOM 175 O SER A 13 -1.911 -2.982 -0.161 1.00 0.00 O ATOM 176 CB SER A 13 0.622 -5.090 -0.537 1.00 0.00 C ATOM 177 OG SER A 13 -0.247 -6.001 -1.189 1.00 0.00 O ATOM 0 H SER A 13 0.264 -2.821 1.039 1.00 0.00 H new ATOM 0 HA SER A 13 0.762 -3.389 -1.830 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.653 -5.298 -0.824 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.557 -5.230 0.542 1.00 0.00 H new ATOM 0 HG SER A 13 -0.164 -5.894 -2.160 1.00 0.00 H new ATOM 183 N HIS A 14 -1.766 -3.914 -2.199 1.00 0.00 N ATOM 184 CA HIS A 14 -3.200 -3.793 -2.445 1.00 0.00 C ATOM 185 C HIS A 14 -3.794 -5.050 -3.076 1.00 0.00 C ATOM 186 O HIS A 14 -3.122 -5.782 -3.802 1.00 0.00 O ATOM 187 CB HIS A 14 -3.488 -2.572 -3.324 1.00 0.00 C ATOM 188 CG HIS A 14 -3.108 -2.749 -4.765 1.00 0.00 C ATOM 189 ND1 HIS A 14 -2.341 -3.800 -5.223 1.00 0.00 N ATOM 190 CD2 HIS A 14 -3.399 -1.997 -5.854 1.00 0.00 C ATOM 191 CE1 HIS A 14 -2.176 -3.687 -6.529 1.00 0.00 C ATOM 192 NE2 HIS A 14 -2.808 -2.602 -6.936 1.00 0.00 N ATOM 0 H HIS A 14 -1.235 -4.339 -2.959 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.680 -3.664 -1.475 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.551 -2.339 -3.266 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.951 -1.713 -2.921 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -1.960 -4.548 -4.644 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.986 -1.091 -5.868 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.619 -4.367 -7.157 1.00 0.00 H new ATOM 201 N ILE A 15 -5.073 -5.277 -2.787 1.00 0.00 N ATOM 202 CA ILE A 15 -5.803 -6.427 -3.311 1.00 0.00 C ATOM 203 C ILE A 15 -7.297 -6.107 -3.390 1.00 0.00 C ATOM 204 O ILE A 15 -7.943 -5.869 -2.369 1.00 0.00 O ATOM 205 CB ILE A 15 -5.567 -7.684 -2.437 1.00 0.00 C ATOM 206 CG1 ILE A 15 -4.138 -8.195 -2.625 1.00 0.00 C ATOM 207 CG2 ILE A 15 -6.566 -8.791 -2.763 1.00 0.00 C ATOM 208 CD1 ILE A 15 -3.159 -7.654 -1.607 1.00 0.00 C ATOM 0 H ILE A 15 -5.630 -4.671 -2.185 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.431 -6.640 -4.313 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.715 -7.397 -1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.141 -9.284 -2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.794 -7.927 -3.624 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.369 -9.656 -2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.579 -8.432 -2.582 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.464 -9.076 -3.810 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.167 -8.061 -1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.126 -6.567 -1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.478 -7.944 -0.606 1.00 0.00 H new ATOM 220 N LEU A 16 -7.834 -6.077 -4.607 1.00 0.00 N ATOM 221 CA LEU A 16 -9.244 -5.756 -4.817 1.00 0.00 C ATOM 222 C LEU A 16 -10.102 -7.000 -5.036 1.00 0.00 C ATOM 223 O LEU A 16 -9.715 -7.916 -5.760 1.00 0.00 O ATOM 224 CB LEU A 16 -9.396 -4.827 -6.024 1.00 0.00 C ATOM 225 CG LEU A 16 -9.696 -3.366 -5.691 1.00 0.00 C ATOM 226 CD1 LEU A 16 -10.871 -3.261 -4.729 1.00 0.00 C ATOM 227 CD2 LEU A 16 -8.461 -2.695 -5.114 1.00 0.00 C ATOM 0 H LEU A 16 -7.314 -6.271 -5.463 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.594 -5.264 -3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.478 -4.868 -6.611 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.196 -5.210 -6.657 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.971 -2.850 -6.611 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.066 -2.212 -4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.755 -3.706 -5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.634 -3.790 -3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.688 -1.655 -4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.157 -3.213 -4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.651 -2.736 -5.842 1.00 0.00 H new ATOM 239 N VAL A 17 -11.289 -7.001 -4.434 1.00 0.00 N ATOM 240 CA VAL A 17 -12.238 -8.099 -4.589 1.00 0.00 C ATOM 241 C VAL A 17 -13.663 -7.621 -4.342 1.00 0.00 C ATOM 242 O VAL A 17 -13.927 -6.936 -3.354 1.00 0.00 O ATOM 243 CB VAL A 17 -11.960 -9.266 -3.623 1.00 0.00 C ATOM 244 CG1 VAL A 17 -10.628 -9.926 -3.926 1.00 0.00 C ATOM 245 CG2 VAL A 17 -12.025 -8.794 -2.181 1.00 0.00 C ATOM 0 H VAL A 17 -11.618 -6.247 -3.830 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.118 -8.452 -5.613 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.736 -10.017 -3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.461 -10.746 -3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.637 -10.314 -4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.827 -9.193 -3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.826 -9.633 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.279 -8.016 -2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -13.017 -8.393 -1.974 1.00 0.00 H new ATOM 255 N LYS A 18 -14.585 -8.009 -5.213 1.00 0.00 N ATOM 256 CA LYS A 18 -15.981 -7.636 -5.034 1.00 0.00 C ATOM 257 C LYS A 18 -16.518 -8.293 -3.765 1.00 0.00 C ATOM 258 O LYS A 18 -17.522 -7.864 -3.197 1.00 0.00 O ATOM 259 CB LYS A 18 -16.814 -8.058 -6.247 1.00 0.00 C ATOM 260 CG LYS A 18 -16.882 -6.999 -7.336 1.00 0.00 C ATOM 261 CD LYS A 18 -16.171 -7.450 -8.603 1.00 0.00 C ATOM 262 CE LYS A 18 -15.569 -6.273 -9.355 1.00 0.00 C ATOM 263 NZ LYS A 18 -16.617 -5.359 -9.887 1.00 0.00 N ATOM 0 H LYS A 18 -14.395 -8.575 -6.040 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.052 -6.552 -4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.393 -8.972 -6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.826 -8.295 -5.918 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.925 -6.777 -7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -16.431 -6.075 -6.974 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.384 -8.160 -8.347 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.875 -7.974 -9.249 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.907 -5.718 -8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.958 -6.643 -10.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.166 -4.579 -10.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -17.244 -5.886 -10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.174 -4.973 -9.098 1.00 0.00 H new ATOM 277 N LYS A 19 -15.814 -9.334 -3.325 1.00 0.00 N ATOM 278 CA LYS A 19 -16.154 -10.072 -2.131 1.00 0.00 C ATOM 279 C LYS A 19 -15.839 -9.239 -0.890 1.00 0.00 C ATOM 280 O LYS A 19 -14.808 -9.431 -0.245 1.00 0.00 O ATOM 281 CB LYS A 19 -15.336 -11.355 -2.130 1.00 0.00 C ATOM 282 CG LYS A 19 -16.120 -12.605 -1.791 1.00 0.00 C ATOM 283 CD LYS A 19 -17.143 -12.365 -0.691 1.00 0.00 C ATOM 284 CE LYS A 19 -18.559 -12.303 -1.246 1.00 0.00 C ATOM 285 NZ LYS A 19 -19.483 -11.585 -0.327 1.00 0.00 N ATOM 0 H LYS A 19 -14.983 -9.686 -3.800 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.219 -10.304 -2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.883 -11.482 -3.113 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.520 -11.249 -1.415 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -16.629 -12.965 -2.685 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -15.431 -13.390 -1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -17.076 -13.163 0.049 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.912 -11.432 -0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.548 -11.802 -2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.928 -13.315 -1.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.437 -11.564 -0.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.513 -12.077 0.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -19.145 -10.611 -0.186 1.00 0.00 H new ATOM 299 N GLN A 20 -16.714 -8.292 -0.582 1.00 0.00 N ATOM 300 CA GLN A 20 -16.518 -7.399 0.556 1.00 0.00 C ATOM 301 C GLN A 20 -16.122 -8.143 1.832 1.00 0.00 C ATOM 302 O GLN A 20 -15.278 -7.667 2.590 1.00 0.00 O ATOM 303 CB GLN A 20 -17.784 -6.576 0.806 1.00 0.00 C ATOM 304 CG GLN A 20 -19.062 -7.399 0.793 1.00 0.00 C ATOM 305 CD GLN A 20 -20.210 -6.697 1.490 1.00 0.00 C ATOM 306 OE1 GLN A 20 -20.813 -5.774 0.942 1.00 0.00 O ATOM 307 NE2 GLN A 20 -20.522 -7.134 2.705 1.00 0.00 N ATOM 0 H GLN A 20 -17.572 -8.120 -1.106 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.690 -6.738 0.299 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -17.696 -6.074 1.770 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -17.856 -5.798 0.046 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -19.343 -7.612 -0.238 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -18.878 -8.358 1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -19.996 -7.902 3.122 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -21.288 -6.702 3.221 1.00 0.00 H new ATOM 316 N GLY A 21 -16.731 -9.298 2.075 1.00 0.00 N ATOM 317 CA GLY A 21 -16.407 -10.050 3.276 1.00 0.00 C ATOM 318 C GLY A 21 -15.033 -10.676 3.219 1.00 0.00 C ATOM 319 O GLY A 21 -14.370 -10.830 4.245 1.00 0.00 O ATOM 0 H GLY A 21 -17.434 -9.724 1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -16.465 -9.389 4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.152 -10.832 3.422 1.00 0.00 H new ATOM 323 N GLU A 22 -14.601 -11.030 2.020 1.00 0.00 N ATOM 324 CA GLU A 22 -13.291 -11.633 1.834 1.00 0.00 C ATOM 325 C GLU A 22 -12.200 -10.638 2.185 1.00 0.00 C ATOM 326 O GLU A 22 -11.180 -10.989 2.779 1.00 0.00 O ATOM 327 CB GLU A 22 -13.134 -12.088 0.385 1.00 0.00 C ATOM 328 CG GLU A 22 -12.390 -11.110 -0.499 1.00 0.00 C ATOM 329 CD GLU A 22 -10.885 -11.243 -0.372 1.00 0.00 C ATOM 330 OE1 GLU A 22 -10.352 -12.311 -0.736 1.00 0.00 O ATOM 331 OE2 GLU A 22 -10.241 -10.281 0.095 1.00 0.00 O ATOM 0 H GLU A 22 -15.138 -10.910 1.161 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.202 -12.496 2.493 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.609 -13.043 0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.123 -12.262 -0.038 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.680 -11.271 -1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.685 -10.093 -0.240 1.00 0.00 H new ATOM 338 N ALA A 23 -12.430 -9.392 1.790 1.00 0.00 N ATOM 339 CA ALA A 23 -11.478 -8.313 2.028 1.00 0.00 C ATOM 340 C ALA A 23 -10.932 -8.390 3.451 1.00 0.00 C ATOM 341 O ALA A 23 -9.736 -8.237 3.666 1.00 0.00 O ATOM 342 CB ALA A 23 -12.135 -6.960 1.773 1.00 0.00 C ATOM 0 H ALA A 23 -13.276 -9.102 1.299 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.644 -8.424 1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.412 -6.165 1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.477 -6.911 0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.986 -6.837 2.443 1.00 0.00 H new ATOM 348 N LEU A 24 -11.822 -8.665 4.405 1.00 0.00 N ATOM 349 CA LEU A 24 -11.442 -8.809 5.812 1.00 0.00 C ATOM 350 C LEU A 24 -10.692 -10.119 6.025 1.00 0.00 C ATOM 351 O LEU A 24 -9.662 -10.156 6.691 1.00 0.00 O ATOM 352 CB LEU A 24 -12.690 -8.778 6.698 1.00 0.00 C ATOM 353 CG LEU A 24 -12.628 -7.804 7.874 1.00 0.00 C ATOM 354 CD1 LEU A 24 -11.527 -8.207 8.844 1.00 0.00 C ATOM 355 CD2 LEU A 24 -12.409 -6.384 7.376 1.00 0.00 C ATOM 0 H LEU A 24 -12.818 -8.793 4.228 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.789 -7.979 6.083 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.549 -8.521 6.079 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.865 -9.781 7.086 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.580 -7.840 8.403 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.498 -7.502 9.675 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.726 -9.209 9.225 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.567 -8.200 8.328 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.367 -5.703 8.226 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.471 -6.333 6.823 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.232 -6.097 6.721 1.00 0.00 H new ATOM 367 N ALA A 25 -11.218 -11.197 5.452 1.00 0.00 N ATOM 368 CA ALA A 25 -10.593 -12.507 5.583 1.00 0.00 C ATOM 369 C ALA A 25 -9.120 -12.442 5.197 1.00 0.00 C ATOM 370 O ALA A 25 -8.245 -12.779 5.994 1.00 0.00 O ATOM 371 CB ALA A 25 -11.324 -13.532 4.730 1.00 0.00 C ATOM 0 H ALA A 25 -12.072 -11.189 4.895 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.659 -12.816 6.626 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.844 -14.505 4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.362 -13.601 5.054 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.290 -13.226 3.684 1.00 0.00 H new ATOM 377 N VAL A 26 -8.853 -11.997 3.972 1.00 0.00 N ATOM 378 CA VAL A 26 -7.483 -11.882 3.492 1.00 0.00 C ATOM 379 C VAL A 26 -6.651 -11.026 4.439 1.00 0.00 C ATOM 380 O VAL A 26 -5.453 -11.235 4.578 1.00 0.00 O ATOM 381 CB VAL A 26 -7.411 -11.295 2.065 1.00 0.00 C ATOM 382 CG1 VAL A 26 -8.382 -12.014 1.140 1.00 0.00 C ATOM 383 CG2 VAL A 26 -7.682 -9.798 2.071 1.00 0.00 C ATOM 0 H VAL A 26 -9.564 -11.712 3.299 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.075 -12.892 3.460 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.399 -11.449 1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.316 -11.586 0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.129 -13.073 1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.398 -11.898 1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.624 -9.414 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.677 -9.610 2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.939 -9.296 2.691 1.00 0.00 H new ATOM 393 N GLN A 27 -7.292 -10.067 5.101 1.00 0.00 N ATOM 394 CA GLN A 27 -6.590 -9.201 6.042 1.00 0.00 C ATOM 395 C GLN A 27 -5.829 -10.048 7.062 1.00 0.00 C ATOM 396 O GLN A 27 -4.606 -9.974 7.168 1.00 0.00 O ATOM 397 CB GLN A 27 -7.576 -8.278 6.766 1.00 0.00 C ATOM 398 CG GLN A 27 -8.413 -7.421 5.842 1.00 0.00 C ATOM 399 CD GLN A 27 -9.079 -6.266 6.568 1.00 0.00 C ATOM 400 OE1 GLN A 27 -9.219 -6.289 7.790 1.00 0.00 O ATOM 401 NE2 GLN A 27 -9.493 -5.250 5.820 1.00 0.00 N ATOM 0 H GLN A 27 -8.288 -9.871 5.004 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.883 -8.586 5.484 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.240 -8.885 7.382 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.020 -7.628 7.442 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.782 -7.029 5.044 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.177 -8.039 5.371 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.357 -5.272 4.809 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.947 -4.448 6.256 1.00 0.00 H new ATOM 410 N GLU A 28 -6.576 -10.862 7.798 1.00 0.00 N ATOM 411 CA GLU A 28 -5.998 -11.744 8.806 1.00 0.00 C ATOM 412 C GLU A 28 -5.242 -12.900 8.148 1.00 0.00 C ATOM 413 O GLU A 28 -4.333 -13.481 8.742 1.00 0.00 O ATOM 414 CB GLU A 28 -7.109 -12.270 9.732 1.00 0.00 C ATOM 415 CG GLU A 28 -7.083 -13.775 9.971 1.00 0.00 C ATOM 416 CD GLU A 28 -8.263 -14.255 10.792 1.00 0.00 C ATOM 417 OE1 GLU A 28 -9.395 -14.248 10.265 1.00 0.00 O ATOM 418 OE2 GLU A 28 -8.057 -14.639 11.963 1.00 0.00 O ATOM 0 H GLU A 28 -7.590 -10.930 7.715 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.282 -11.178 9.402 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.032 -11.762 10.693 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.075 -12.001 9.306 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.079 -14.292 9.011 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.157 -14.042 10.481 1.00 0.00 H new ATOM 425 N ARG A 29 -5.646 -13.242 6.928 1.00 0.00 N ATOM 426 CA ARG A 29 -5.033 -14.343 6.193 1.00 0.00 C ATOM 427 C ARG A 29 -3.698 -13.944 5.569 1.00 0.00 C ATOM 428 O ARG A 29 -2.810 -14.780 5.404 1.00 0.00 O ATOM 429 CB ARG A 29 -5.990 -14.823 5.103 1.00 0.00 C ATOM 430 CG ARG A 29 -5.740 -16.248 4.645 1.00 0.00 C ATOM 431 CD ARG A 29 -6.059 -17.251 5.743 1.00 0.00 C ATOM 432 NE ARG A 29 -7.461 -17.193 6.148 1.00 0.00 N ATOM 433 CZ ARG A 29 -8.453 -17.767 5.469 1.00 0.00 C ATOM 434 NH1 ARG A 29 -8.202 -18.428 4.347 1.00 0.00 N ATOM 435 NH2 ARG A 29 -9.700 -17.673 5.913 1.00 0.00 N ATOM 0 H ARG A 29 -6.398 -12.770 6.426 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.836 -15.147 6.902 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.013 -14.745 5.472 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.909 -14.157 4.244 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.350 -16.461 3.767 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.698 -16.357 4.343 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.824 -18.257 5.395 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.424 -17.056 6.607 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.694 -16.683 7.000 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.245 -18.499 4.000 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.965 -18.866 3.831 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.898 -17.162 6.773 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.461 -18.112 5.394 1.00 0.00 H new ATOM 449 N LEU A 30 -3.563 -12.670 5.215 1.00 0.00 N ATOM 450 CA LEU A 30 -2.341 -12.171 4.594 1.00 0.00 C ATOM 451 C LEU A 30 -1.128 -12.449 5.477 1.00 0.00 C ATOM 452 O LEU A 30 -0.190 -13.130 5.062 1.00 0.00 O ATOM 453 CB LEU A 30 -2.472 -10.670 4.314 1.00 0.00 C ATOM 454 CG LEU A 30 -1.525 -10.116 3.246 1.00 0.00 C ATOM 455 CD1 LEU A 30 -0.080 -10.436 3.595 1.00 0.00 C ATOM 456 CD2 LEU A 30 -1.884 -10.671 1.874 1.00 0.00 C ATOM 0 H LEU A 30 -4.286 -11.963 5.348 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.194 -12.694 3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.498 -10.463 4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.301 -10.128 5.244 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.636 -9.032 3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.578 -10.034 2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.170 -9.987 4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.049 -11.517 3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.200 -10.266 1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.803 -11.758 1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.906 -10.387 1.622 1.00 0.00 H new ATOM 468 N LYS A 31 -1.156 -11.923 6.696 1.00 0.00 N ATOM 469 CA LYS A 31 -0.061 -12.122 7.639 1.00 0.00 C ATOM 470 C LYS A 31 -0.037 -13.555 8.168 1.00 0.00 C ATOM 471 O LYS A 31 0.908 -13.959 8.845 1.00 0.00 O ATOM 472 CB LYS A 31 -0.182 -11.143 8.806 1.00 0.00 C ATOM 473 CG LYS A 31 -1.452 -11.326 9.621 1.00 0.00 C ATOM 474 CD LYS A 31 -2.424 -10.173 9.418 1.00 0.00 C ATOM 475 CE LYS A 31 -2.911 -9.613 10.745 1.00 0.00 C ATOM 476 NZ LYS A 31 -4.041 -8.660 10.565 1.00 0.00 N ATOM 0 H LYS A 31 -1.924 -11.356 7.055 1.00 0.00 H new ATOM 0 HA LYS A 31 0.873 -11.937 7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.681 -11.262 9.461 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.151 -10.124 8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.934 -12.262 9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.198 -11.405 10.678 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.938 -9.383 8.845 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.277 -10.514 8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.227 -10.432 11.391 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.087 -9.108 11.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.934 -7.865 11.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.040 -8.300 9.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.940 -9.148 10.753 1.00 0.00 H new ATOM 490 N ALA A 32 -1.083 -14.319 7.862 1.00 0.00 N ATOM 491 CA ALA A 32 -1.181 -15.698 8.316 1.00 0.00 C ATOM 492 C ALA A 32 -0.007 -16.531 7.817 1.00 0.00 C ATOM 493 O ALA A 32 0.360 -17.536 8.424 1.00 0.00 O ATOM 494 CB ALA A 32 -2.494 -16.308 7.853 1.00 0.00 C ATOM 0 H ALA A 32 -1.874 -14.003 7.301 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.151 -15.698 9.406 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.557 -17.340 8.198 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.326 -15.736 8.264 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.542 -16.286 6.764 1.00 0.00 H new ATOM 500 N GLY A 33 0.574 -16.107 6.701 1.00 0.00 N ATOM 501 CA GLY A 33 1.690 -16.821 6.128 1.00 0.00 C ATOM 502 C GLY A 33 1.766 -16.666 4.624 1.00 0.00 C ATOM 503 O GLY A 33 2.804 -16.932 4.017 1.00 0.00 O ATOM 0 H GLY A 33 0.287 -15.276 6.183 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.616 -16.460 6.575 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.607 -17.879 6.377 1.00 0.00 H new ATOM 507 N GLU A 34 0.665 -16.232 4.015 1.00 0.00 N ATOM 508 CA GLU A 34 0.620 -16.043 2.568 1.00 0.00 C ATOM 509 C GLU A 34 1.276 -14.729 2.174 1.00 0.00 C ATOM 510 O GLU A 34 1.393 -13.811 2.985 1.00 0.00 O ATOM 511 CB GLU A 34 -0.822 -16.073 2.065 1.00 0.00 C ATOM 512 CG GLU A 34 -1.680 -14.953 2.622 1.00 0.00 C ATOM 513 CD GLU A 34 -3.161 -15.181 2.392 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.552 -16.338 2.132 1.00 0.00 O ATOM 515 OE2 GLU A 34 -3.932 -14.201 2.473 1.00 0.00 O ATOM 0 H GLU A 34 -0.204 -16.006 4.499 1.00 0.00 H new ATOM 0 HA GLU A 34 1.172 -16.862 2.107 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.820 -16.012 0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.271 -17.030 2.330 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.493 -14.855 3.691 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.385 -14.011 2.160 1.00 0.00 H new ATOM 522 N LYS A 35 1.705 -14.648 0.922 1.00 0.00 N ATOM 523 CA LYS A 35 2.355 -13.447 0.414 1.00 0.00 C ATOM 524 C LYS A 35 1.360 -12.551 -0.312 1.00 0.00 C ATOM 525 O LYS A 35 0.532 -13.027 -1.089 1.00 0.00 O ATOM 526 CB LYS A 35 3.503 -13.821 -0.525 1.00 0.00 C ATOM 527 CG LYS A 35 4.458 -12.671 -0.802 1.00 0.00 C ATOM 528 CD LYS A 35 5.905 -13.139 -0.819 1.00 0.00 C ATOM 529 CE LYS A 35 6.827 -12.124 -0.162 1.00 0.00 C ATOM 530 NZ LYS A 35 8.260 -12.494 -0.316 1.00 0.00 N ATOM 0 H LYS A 35 1.615 -15.400 0.239 1.00 0.00 H new ATOM 0 HA LYS A 35 2.755 -12.896 1.265 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.062 -14.650 -0.091 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.089 -14.175 -1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.211 -12.215 -1.761 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.333 -11.901 -0.041 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.986 -14.094 -0.300 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.222 -13.307 -1.848 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.657 -11.141 -0.601 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.584 -12.046 0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.855 -11.777 0.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.429 -13.420 0.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.499 -12.544 -1.327 1.00 0.00 H new ATOM 544 N PHE A 36 1.453 -11.248 -0.058 1.00 0.00 N ATOM 545 CA PHE A 36 0.567 -10.277 -0.691 1.00 0.00 C ATOM 546 C PHE A 36 0.484 -10.525 -2.194 1.00 0.00 C ATOM 547 O PHE A 36 -0.558 -10.312 -2.814 1.00 0.00 O ATOM 548 CB PHE A 36 1.055 -8.850 -0.424 1.00 0.00 C ATOM 549 CG PHE A 36 2.553 -8.708 -0.446 1.00 0.00 C ATOM 550 CD1 PHE A 36 3.252 -8.789 -1.639 1.00 0.00 C ATOM 551 CD2 PHE A 36 3.258 -8.497 0.727 1.00 0.00 C ATOM 552 CE1 PHE A 36 4.629 -8.660 -1.662 1.00 0.00 C ATOM 553 CE2 PHE A 36 4.633 -8.366 0.712 1.00 0.00 C ATOM 554 CZ PHE A 36 5.320 -8.449 -0.485 1.00 0.00 C ATOM 0 H PHE A 36 2.134 -10.841 0.583 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.428 -10.395 -0.261 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.625 -8.183 -1.171 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.682 -8.524 0.547 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.716 -8.955 -2.562 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.726 -8.434 1.665 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.163 -8.724 -2.599 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.171 -8.199 1.634 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.395 -8.349 -0.500 1.00 0.00 H new ATOM 564 N GLY A 37 1.590 -10.983 -2.768 1.00 0.00 N ATOM 565 CA GLY A 37 1.627 -11.264 -4.186 1.00 0.00 C ATOM 566 C GLY A 37 0.705 -12.402 -4.566 1.00 0.00 C ATOM 567 O GLY A 37 0.107 -12.397 -5.641 1.00 0.00 O ATOM 0 H GLY A 37 2.463 -11.164 -2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.344 -10.369 -4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.647 -11.511 -4.479 1.00 0.00 H new ATOM 571 N LYS A 38 0.589 -13.380 -3.674 1.00 0.00 N ATOM 572 CA LYS A 38 -0.267 -14.532 -3.914 1.00 0.00 C ATOM 573 C LYS A 38 -1.714 -14.094 -4.105 1.00 0.00 C ATOM 574 O LYS A 38 -2.342 -14.427 -5.110 1.00 0.00 O ATOM 575 CB LYS A 38 -0.166 -15.517 -2.746 1.00 0.00 C ATOM 576 CG LYS A 38 0.055 -16.957 -3.179 1.00 0.00 C ATOM 577 CD LYS A 38 -1.249 -17.624 -3.593 1.00 0.00 C ATOM 578 CE LYS A 38 -1.395 -19.002 -2.966 1.00 0.00 C ATOM 579 NZ LYS A 38 -1.043 -20.087 -3.923 1.00 0.00 N ATOM 0 H LYS A 38 1.078 -13.396 -2.779 1.00 0.00 H new ATOM 0 HA LYS A 38 0.068 -15.027 -4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.654 -15.213 -2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.080 -15.461 -2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.758 -16.983 -4.011 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.508 -17.518 -2.361 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.090 -16.997 -3.296 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.285 -17.712 -4.679 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.754 -19.071 -2.087 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.421 -19.138 -2.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.155 -21.010 -3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.671 -20.037 -4.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.056 -19.972 -4.230 1.00 0.00 H new ATOM 593 N LEU A 39 -2.232 -13.338 -3.140 1.00 0.00 N ATOM 594 CA LEU A 39 -3.605 -12.847 -3.200 1.00 0.00 C ATOM 595 C LEU A 39 -3.845 -12.068 -4.486 1.00 0.00 C ATOM 596 O LEU A 39 -4.938 -12.105 -5.048 1.00 0.00 O ATOM 597 CB LEU A 39 -3.920 -11.949 -2.001 1.00 0.00 C ATOM 598 CG LEU A 39 -3.867 -12.620 -0.619 1.00 0.00 C ATOM 599 CD1 LEU A 39 -4.596 -13.954 -0.633 1.00 0.00 C ATOM 600 CD2 LEU A 39 -2.432 -12.806 -0.155 1.00 0.00 C ATOM 0 H LEU A 39 -1.720 -13.052 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.263 -13.715 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.219 -11.115 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.916 -11.529 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.371 -11.960 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.543 -14.408 0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.640 -13.795 -0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.128 -14.617 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.425 -13.283 0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.898 -13.434 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.942 -11.835 -0.089 1.00 0.00 H new ATOM 612 N ALA A 40 -2.818 -11.361 -4.950 1.00 0.00 N ATOM 613 CA ALA A 40 -2.932 -10.565 -6.166 1.00 0.00 C ATOM 614 C ALA A 40 -3.493 -11.407 -7.304 1.00 0.00 C ATOM 615 O ALA A 40 -4.491 -11.047 -7.927 1.00 0.00 O ATOM 616 CB ALA A 40 -1.576 -9.994 -6.546 1.00 0.00 C ATOM 0 H ALA A 40 -1.902 -11.324 -4.504 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.619 -9.740 -5.980 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.673 -9.401 -7.456 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.208 -9.361 -5.738 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.873 -10.809 -6.717 1.00 0.00 H new ATOM 622 N LYS A 41 -2.852 -12.535 -7.554 1.00 0.00 N ATOM 623 CA LYS A 41 -3.287 -13.449 -8.599 1.00 0.00 C ATOM 624 C LYS A 41 -4.355 -14.412 -8.081 1.00 0.00 C ATOM 625 O LYS A 41 -5.117 -14.984 -8.860 1.00 0.00 O ATOM 626 CB LYS A 41 -2.094 -14.237 -9.143 1.00 0.00 C ATOM 627 CG LYS A 41 -0.918 -13.361 -9.543 1.00 0.00 C ATOM 628 CD LYS A 41 -0.284 -13.832 -10.843 1.00 0.00 C ATOM 629 CE LYS A 41 0.985 -14.630 -10.587 1.00 0.00 C ATOM 630 NZ LYS A 41 0.734 -15.810 -9.715 1.00 0.00 N ATOM 0 H LYS A 41 -2.023 -12.843 -7.045 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.723 -12.856 -9.403 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.765 -14.950 -8.387 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.416 -14.816 -10.008 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.253 -12.330 -9.654 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.171 -13.370 -8.749 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.996 -14.446 -11.395 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.053 -12.970 -11.470 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.402 -14.963 -11.537 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.730 -13.986 -10.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.578 -16.418 -9.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.524 -15.489 -8.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.075 -16.349 -10.084 1.00 0.00 H new ATOM 644 N GLU A 42 -4.374 -14.626 -6.764 1.00 0.00 N ATOM 645 CA GLU A 42 -5.315 -15.562 -6.156 1.00 0.00 C ATOM 646 C GLU A 42 -6.766 -15.067 -6.190 1.00 0.00 C ATOM 647 O GLU A 42 -7.596 -15.637 -6.898 1.00 0.00 O ATOM 648 CB GLU A 42 -4.888 -15.856 -4.715 1.00 0.00 C ATOM 649 CG GLU A 42 -4.433 -17.290 -4.497 1.00 0.00 C ATOM 650 CD GLU A 42 -4.539 -17.724 -3.049 1.00 0.00 C ATOM 651 OE1 GLU A 42 -4.300 -16.881 -2.158 1.00 0.00 O ATOM 652 OE2 GLU A 42 -4.860 -18.906 -2.806 1.00 0.00 O ATOM 0 H GLU A 42 -3.750 -14.165 -6.102 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.288 -16.475 -6.750 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.078 -15.181 -4.440 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.722 -15.642 -4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.034 -17.956 -5.116 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.400 -17.393 -4.828 1.00 0.00 H new ATOM 659 N LEU A 43 -7.081 -14.020 -5.427 1.00 0.00 N ATOM 660 CA LEU A 43 -8.453 -13.499 -5.402 1.00 0.00 C ATOM 661 C LEU A 43 -8.542 -12.048 -5.862 1.00 0.00 C ATOM 662 O LEU A 43 -9.640 -11.537 -6.081 1.00 0.00 O ATOM 663 CB LEU A 43 -9.079 -13.637 -4.007 1.00 0.00 C ATOM 664 CG LEU A 43 -8.160 -13.330 -2.823 1.00 0.00 C ATOM 665 CD1 LEU A 43 -7.163 -14.457 -2.616 1.00 0.00 C ATOM 666 CD2 LEU A 43 -7.444 -12.002 -3.022 1.00 0.00 C ATOM 0 H LEU A 43 -6.422 -13.523 -4.828 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.016 -14.107 -6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.943 -12.974 -3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.451 -14.656 -3.897 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.774 -13.248 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.518 -14.221 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.699 -15.385 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.556 -14.575 -3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.797 -11.806 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.843 -12.045 -3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.179 -11.202 -3.111 1.00 0.00 H new ATOM 678 N SER A 44 -7.404 -11.376 -5.996 1.00 0.00 N ATOM 679 CA SER A 44 -7.411 -9.977 -6.415 1.00 0.00 C ATOM 680 C SER A 44 -7.972 -9.823 -7.822 1.00 0.00 C ATOM 681 O SER A 44 -7.623 -10.571 -8.734 1.00 0.00 O ATOM 682 CB SER A 44 -5.999 -9.401 -6.356 1.00 0.00 C ATOM 683 OG SER A 44 -5.968 -8.175 -5.646 1.00 0.00 O ATOM 0 H SER A 44 -6.478 -11.768 -5.824 1.00 0.00 H new ATOM 0 HA SER A 44 -8.055 -9.427 -5.729 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.332 -10.118 -5.876 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.625 -9.246 -7.368 1.00 0.00 H new ATOM 0 HG SER A 44 -5.638 -7.464 -6.235 1.00 0.00 H new ATOM 689 N ILE A 45 -8.853 -8.841 -7.981 1.00 0.00 N ATOM 690 CA ILE A 45 -9.480 -8.568 -9.262 1.00 0.00 C ATOM 691 C ILE A 45 -8.728 -7.485 -10.029 1.00 0.00 C ATOM 692 O ILE A 45 -8.904 -7.331 -11.238 1.00 0.00 O ATOM 693 CB ILE A 45 -10.947 -8.128 -9.075 1.00 0.00 C ATOM 694 CG1 ILE A 45 -11.012 -6.769 -8.373 1.00 0.00 C ATOM 695 CG2 ILE A 45 -11.710 -9.168 -8.271 1.00 0.00 C ATOM 696 CD1 ILE A 45 -12.350 -6.080 -8.502 1.00 0.00 C ATOM 0 H ILE A 45 -9.149 -8.218 -7.229 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.450 -9.494 -9.836 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.408 -8.035 -10.058 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.784 -6.905 -7.316 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.239 -6.120 -8.785 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.744 -8.845 -8.146 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.689 -10.122 -8.797 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.245 -9.284 -7.292 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.319 -5.124 -7.980 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.572 -5.911 -9.556 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.126 -6.708 -8.064 1.00 0.00 H new ATOM 745 N ALA A 50 -1.916 -6.210 -10.894 1.00 0.00 N ATOM 746 CA ALA A 50 -1.849 -7.304 -9.927 1.00 0.00 C ATOM 747 C ALA A 50 -0.644 -8.201 -10.201 1.00 0.00 C ATOM 748 O ALA A 50 -0.187 -8.929 -9.320 1.00 0.00 O ATOM 749 CB ALA A 50 -3.134 -8.122 -9.954 1.00 0.00 C ATOM 0 HA ALA A 50 -1.733 -6.869 -8.934 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.065 -8.932 -9.228 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.979 -7.481 -9.704 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.278 -8.540 -10.950 1.00 0.00 H new ATOM 755 N LYS A 51 -0.140 -8.145 -11.433 1.00 0.00 N ATOM 756 CA LYS A 51 1.009 -8.953 -11.834 1.00 0.00 C ATOM 757 C LYS A 51 2.295 -8.507 -11.134 1.00 0.00 C ATOM 758 O LYS A 51 3.349 -9.118 -11.318 1.00 0.00 O ATOM 759 CB LYS A 51 1.187 -8.887 -13.350 1.00 0.00 C ATOM 760 CG LYS A 51 0.887 -10.200 -14.052 1.00 0.00 C ATOM 761 CD LYS A 51 0.155 -9.975 -15.365 1.00 0.00 C ATOM 762 CE LYS A 51 -0.967 -10.983 -15.558 1.00 0.00 C ATOM 763 NZ LYS A 51 -1.996 -10.493 -16.516 1.00 0.00 N ATOM 0 H LYS A 51 -0.511 -7.547 -12.171 1.00 0.00 H new ATOM 0 HA LYS A 51 0.812 -9.982 -11.532 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.534 -8.112 -13.751 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.211 -8.589 -13.575 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.818 -10.734 -14.240 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.283 -10.832 -13.401 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.254 -8.965 -15.386 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.860 -10.051 -16.193 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.552 -11.923 -15.921 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.436 -11.192 -14.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.743 -11.209 -16.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.411 -9.609 -16.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.554 -10.318 -17.441 1.00 0.00 H new ATOM 777 N ARG A 52 2.210 -7.447 -10.335 1.00 0.00 N ATOM 778 CA ARG A 52 3.371 -6.938 -9.614 1.00 0.00 C ATOM 779 C ARG A 52 3.306 -7.340 -8.141 1.00 0.00 C ATOM 780 O ARG A 52 3.877 -6.672 -7.283 1.00 0.00 O ATOM 781 CB ARG A 52 3.466 -5.412 -9.756 1.00 0.00 C ATOM 782 CG ARG A 52 2.599 -4.634 -8.772 1.00 0.00 C ATOM 783 CD ARG A 52 2.510 -3.155 -9.132 1.00 0.00 C ATOM 784 NE ARG A 52 2.591 -2.922 -10.573 1.00 0.00 N ATOM 785 CZ ARG A 52 3.734 -2.783 -11.243 1.00 0.00 C ATOM 786 NH1 ARG A 52 4.899 -2.866 -10.611 1.00 0.00 N ATOM 787 NH2 ARG A 52 3.712 -2.566 -12.551 1.00 0.00 N ATOM 0 H ARG A 52 1.349 -6.925 -10.171 1.00 0.00 H new ATOM 0 HA ARG A 52 4.268 -7.379 -10.049 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.505 -5.111 -9.623 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.181 -5.135 -10.771 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.597 -5.063 -8.754 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.009 -4.738 -7.767 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.572 -2.749 -8.754 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.315 -2.614 -8.634 1.00 0.00 H new ATOM 0 HE ARG A 52 1.718 -2.862 -11.098 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.923 -3.037 -9.606 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.770 -2.759 -11.131 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.821 -2.506 -13.043 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.587 -2.459 -13.065 1.00 0.00 H new ATOM 801 N ASP A 53 2.588 -8.430 -7.867 1.00 0.00 N ATOM 802 CA ASP A 53 2.420 -8.943 -6.509 1.00 0.00 C ATOM 803 C ASP A 53 1.762 -7.904 -5.604 1.00 0.00 C ATOM 804 O ASP A 53 1.989 -7.882 -4.396 1.00 0.00 O ATOM 805 CB ASP A 53 3.762 -9.411 -5.922 1.00 0.00 C ATOM 806 CG ASP A 53 4.664 -8.273 -5.480 1.00 0.00 C ATOM 807 OD1 ASP A 53 4.394 -7.677 -4.417 1.00 0.00 O ATOM 808 OD2 ASP A 53 5.647 -7.984 -6.195 1.00 0.00 O ATOM 0 H ASP A 53 2.108 -8.980 -8.579 1.00 0.00 H new ATOM 0 HA ASP A 53 1.758 -9.807 -6.563 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.568 -10.062 -5.069 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.286 -10.010 -6.667 1.00 0.00 H new ATOM 813 N GLY A 54 0.933 -7.053 -6.202 1.00 0.00 N ATOM 814 CA GLY A 54 0.243 -6.030 -5.441 1.00 0.00 C ATOM 815 C GLY A 54 1.185 -5.172 -4.619 1.00 0.00 C ATOM 816 O GLY A 54 0.777 -4.570 -3.628 1.00 0.00 O ATOM 0 H GLY A 54 0.728 -7.055 -7.201 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.319 -5.393 -6.124 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.481 -6.503 -4.778 1.00 0.00 H new ATOM 820 N SER A 55 2.447 -5.114 -5.033 1.00 0.00 N ATOM 821 CA SER A 55 3.441 -4.321 -4.323 1.00 0.00 C ATOM 822 C SER A 55 3.308 -2.844 -4.675 1.00 0.00 C ATOM 823 O SER A 55 3.933 -2.362 -5.621 1.00 0.00 O ATOM 824 CB SER A 55 4.851 -4.810 -4.654 1.00 0.00 C ATOM 825 OG SER A 55 5.393 -5.566 -3.584 1.00 0.00 O ATOM 0 H SER A 55 2.803 -5.605 -5.853 1.00 0.00 H new ATOM 0 HA SER A 55 3.266 -4.441 -3.254 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.825 -5.419 -5.557 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.496 -3.956 -4.863 1.00 0.00 H new ATOM 0 HG SER A 55 5.352 -6.520 -3.804 1.00 0.00 H new ATOM 831 N LEU A 56 2.495 -2.132 -3.908 1.00 0.00 N ATOM 832 CA LEU A 56 2.281 -0.707 -4.135 1.00 0.00 C ATOM 833 C LEU A 56 3.600 0.052 -4.056 1.00 0.00 C ATOM 834 O LEU A 56 3.772 1.089 -4.696 1.00 0.00 O ATOM 835 CB LEU A 56 1.291 -0.151 -3.108 1.00 0.00 C ATOM 836 CG LEU A 56 -0.080 -0.827 -3.102 1.00 0.00 C ATOM 837 CD1 LEU A 56 -0.967 -0.234 -2.019 1.00 0.00 C ATOM 838 CD2 LEU A 56 -0.742 -0.702 -4.468 1.00 0.00 C ATOM 0 H LEU A 56 1.971 -2.517 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 56 1.865 -0.575 -5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.730 -0.244 -2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.154 0.914 -3.297 1.00 0.00 H new ATOM 0 HG LEU A 56 0.060 -1.886 -2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.938 -0.729 -2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.499 -0.379 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.101 0.832 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.717 -1.189 -4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.868 0.352 -4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.115 -1.180 -5.221 1.00 0.00 H new ATOM 850 N GLY A 57 4.531 -0.474 -3.267 1.00 0.00 N ATOM 851 CA GLY A 57 5.822 0.166 -3.118 1.00 0.00 C ATOM 852 C GLY A 57 5.701 1.557 -2.533 1.00 0.00 C ATOM 853 O GLY A 57 4.649 1.922 -2.009 1.00 0.00 O ATOM 0 H GLY A 57 4.413 -1.332 -2.729 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.457 -0.444 -2.475 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.313 0.223 -4.090 1.00 0.00 H new ATOM 857 N TYR A 58 6.775 2.334 -2.614 1.00 0.00 N ATOM 858 CA TYR A 58 6.767 3.690 -2.070 1.00 0.00 C ATOM 859 C TYR A 58 5.790 4.590 -2.813 1.00 0.00 C ATOM 860 O TYR A 58 5.958 4.868 -4.001 1.00 0.00 O ATOM 861 CB TYR A 58 8.159 4.339 -2.110 1.00 0.00 C ATOM 862 CG TYR A 58 9.313 3.371 -2.266 1.00 0.00 C ATOM 863 CD1 TYR A 58 9.760 2.993 -3.526 1.00 0.00 C ATOM 864 CD2 TYR A 58 9.956 2.839 -1.155 1.00 0.00 C ATOM 865 CE1 TYR A 58 10.815 2.112 -3.674 1.00 0.00 C ATOM 866 CE2 TYR A 58 11.012 1.957 -1.296 1.00 0.00 C ATOM 867 CZ TYR A 58 11.437 1.599 -2.558 1.00 0.00 C ATOM 868 OH TYR A 58 12.487 0.720 -2.702 1.00 0.00 O ATOM 0 H TYR A 58 7.655 2.054 -3.046 1.00 0.00 H new ATOM 0 HA TYR A 58 6.451 3.590 -1.032 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.188 5.051 -2.935 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.304 4.909 -1.192 1.00 0.00 H new ATOM 0 HD1 TYR A 58 9.275 3.394 -4.404 1.00 0.00 H new ATOM 0 HD2 TYR A 58 9.626 3.119 -0.165 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.150 1.827 -4.661 1.00 0.00 H new ATOM 0 HE2 TYR A 58 11.501 1.551 -0.423 1.00 0.00 H new ATOM 0 HH TYR A 58 12.814 0.453 -1.818 1.00 0.00 H new ATOM 878 N PHE A 59 4.794 5.075 -2.087 1.00 0.00 N ATOM 879 CA PHE A 59 3.811 5.990 -2.642 1.00 0.00 C ATOM 880 C PHE A 59 3.706 7.208 -1.741 1.00 0.00 C ATOM 881 O PHE A 59 4.071 7.153 -0.572 1.00 0.00 O ATOM 882 CB PHE A 59 2.441 5.331 -2.783 1.00 0.00 C ATOM 883 CG PHE A 59 2.281 4.522 -4.040 1.00 0.00 C ATOM 884 CD1 PHE A 59 2.738 5.008 -5.255 1.00 0.00 C ATOM 885 CD2 PHE A 59 1.669 3.279 -4.007 1.00 0.00 C ATOM 886 CE1 PHE A 59 2.587 4.270 -6.414 1.00 0.00 C ATOM 887 CE2 PHE A 59 1.515 2.536 -5.163 1.00 0.00 C ATOM 888 CZ PHE A 59 1.975 3.033 -6.368 1.00 0.00 C ATOM 0 H PHE A 59 4.646 4.847 -1.104 1.00 0.00 H new ATOM 0 HA PHE A 59 4.139 6.283 -3.639 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.269 4.685 -1.922 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.673 6.104 -2.760 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.218 5.975 -5.297 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.308 2.886 -3.068 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.947 4.660 -7.354 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.036 1.569 -5.124 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.856 2.455 -7.272 1.00 0.00 H new ATOM 898 N GLY A 60 3.215 8.302 -2.286 1.00 0.00 N ATOM 899 CA GLY A 60 3.086 9.514 -1.500 1.00 0.00 C ATOM 900 C GLY A 60 1.694 10.110 -1.577 1.00 0.00 C ATOM 901 O GLY A 60 0.789 9.512 -2.159 1.00 0.00 O ATOM 0 H GLY A 60 2.903 8.379 -3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.327 9.296 -0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.812 10.248 -1.849 1.00 0.00 H new ATOM 905 N ARG A 61 1.520 11.288 -0.988 1.00 0.00 N ATOM 906 CA ARG A 61 0.232 11.958 -0.991 1.00 0.00 C ATOM 907 C ARG A 61 -0.041 12.557 -2.356 1.00 0.00 C ATOM 908 O ARG A 61 0.224 13.735 -2.597 1.00 0.00 O ATOM 909 CB ARG A 61 0.193 13.050 0.079 1.00 0.00 C ATOM 910 CG ARG A 61 0.638 12.570 1.453 1.00 0.00 C ATOM 911 CD ARG A 61 2.009 13.115 1.821 1.00 0.00 C ATOM 912 NE ARG A 61 2.051 13.605 3.198 1.00 0.00 N ATOM 913 CZ ARG A 61 2.163 12.815 4.263 1.00 0.00 C ATOM 914 NH1 ARG A 61 2.251 11.499 4.115 1.00 0.00 N ATOM 915 NH2 ARG A 61 2.190 13.342 5.479 1.00 0.00 N ATOM 0 H ARG A 61 2.259 11.797 -0.502 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.541 11.223 -0.765 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.832 13.876 -0.233 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.822 13.441 0.151 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.091 12.882 2.201 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.663 11.480 1.467 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.757 12.333 1.691 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.273 13.924 1.140 1.00 0.00 H new ATOM 0 HE ARG A 61 1.991 14.612 3.351 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.233 11.088 3.181 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.337 10.898 4.935 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.125 14.353 5.598 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.276 12.737 6.295 1.00 0.00 H new ATOM 929 N GLY A 62 -0.570 11.735 -3.249 1.00 0.00 N ATOM 930 CA GLY A 62 -0.869 12.200 -4.580 1.00 0.00 C ATOM 931 C GLY A 62 -0.705 11.123 -5.637 1.00 0.00 C ATOM 932 O GLY A 62 -0.259 11.404 -6.749 1.00 0.00 O ATOM 0 H GLY A 62 -0.796 10.756 -3.073 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.892 12.574 -4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.216 13.039 -4.821 1.00 0.00 H new ATOM 936 N LYS A 63 -1.064 9.889 -5.293 1.00 0.00 N ATOM 937 CA LYS A 63 -0.948 8.775 -6.227 1.00 0.00 C ATOM 938 C LYS A 63 -2.184 7.878 -6.177 1.00 0.00 C ATOM 939 O LYS A 63 -2.749 7.530 -7.214 1.00 0.00 O ATOM 940 CB LYS A 63 0.306 7.954 -5.918 1.00 0.00 C ATOM 941 CG LYS A 63 1.364 8.024 -7.008 1.00 0.00 C ATOM 942 CD LYS A 63 1.820 9.453 -7.252 1.00 0.00 C ATOM 943 CE LYS A 63 3.264 9.503 -7.720 1.00 0.00 C ATOM 944 NZ LYS A 63 4.203 9.786 -6.598 1.00 0.00 N ATOM 0 H LYS A 63 -1.436 9.637 -4.378 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.869 9.188 -7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.738 8.305 -4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.020 6.913 -5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.220 7.411 -6.725 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.964 7.606 -7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.178 9.919 -7.999 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.713 10.032 -6.335 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.528 8.553 -8.184 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.371 10.272 -8.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.178 9.812 -6.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.967 10.705 -6.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.120 9.039 -5.879 1.00 0.00 H new ATOM 958 N MET A 64 -2.594 7.500 -4.971 1.00 0.00 N ATOM 959 CA MET A 64 -3.759 6.635 -4.795 1.00 0.00 C ATOM 960 C MET A 64 -4.998 7.443 -4.422 1.00 0.00 C ATOM 961 O MET A 64 -4.910 8.633 -4.119 1.00 0.00 O ATOM 962 CB MET A 64 -3.485 5.581 -3.719 1.00 0.00 C ATOM 963 CG MET A 64 -2.072 5.021 -3.757 1.00 0.00 C ATOM 964 SD MET A 64 -0.958 5.880 -2.630 1.00 0.00 S ATOM 965 CE MET A 64 -0.790 4.665 -1.326 1.00 0.00 C ATOM 0 H MET A 64 -2.139 7.777 -4.101 1.00 0.00 H new ATOM 0 HA MET A 64 -3.947 6.137 -5.746 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.666 6.021 -2.738 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.194 4.762 -3.837 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.097 3.962 -3.500 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.683 5.094 -4.773 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.128 5.052 -0.551 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.769 4.456 -0.895 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.371 3.746 -1.736 1.00 0.00 H new ATOM 975 N VAL A 65 -6.153 6.783 -4.444 1.00 0.00 N ATOM 976 CA VAL A 65 -7.414 7.431 -4.104 1.00 0.00 C ATOM 977 C VAL A 65 -7.378 7.984 -2.680 1.00 0.00 C ATOM 978 O VAL A 65 -6.493 7.645 -1.896 1.00 0.00 O ATOM 979 CB VAL A 65 -8.601 6.456 -4.251 1.00 0.00 C ATOM 980 CG1 VAL A 65 -8.741 5.998 -5.696 1.00 0.00 C ATOM 981 CG2 VAL A 65 -8.426 5.265 -3.325 1.00 0.00 C ATOM 0 H VAL A 65 -6.240 5.798 -4.694 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.552 8.257 -4.802 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.515 6.979 -3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.583 5.311 -5.780 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.913 6.863 -6.337 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.827 5.492 -6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.271 4.587 -3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.504 4.741 -3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.377 5.611 -2.293 1.00 0.00 H new ATOM 991 N LYS A 66 -8.332 8.851 -2.361 1.00 0.00 N ATOM 992 CA LYS A 66 -8.404 9.473 -1.040 1.00 0.00 C ATOM 993 C LYS A 66 -8.627 8.453 0.081 1.00 0.00 C ATOM 994 O LYS A 66 -7.934 8.490 1.099 1.00 0.00 O ATOM 995 CB LYS A 66 -9.516 10.522 -1.012 1.00 0.00 C ATOM 996 CG LYS A 66 -9.314 11.594 0.045 1.00 0.00 C ATOM 997 CD LYS A 66 -10.143 12.834 -0.252 1.00 0.00 C ATOM 998 CE LYS A 66 -11.633 12.530 -0.214 1.00 0.00 C ATOM 999 NZ LYS A 66 -12.387 13.322 -1.224 1.00 0.00 N ATOM 0 H LYS A 66 -9.071 9.142 -3.001 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.439 9.948 -0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.581 10.997 -1.991 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.469 10.024 -0.835 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.588 11.198 1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.259 11.864 0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.910 13.611 0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.875 13.226 -1.233 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.791 11.467 -0.395 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.022 12.746 0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.398 13.086 -1.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.257 14.337 -1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.033 13.097 -2.176 1.00 0.00 H new ATOM 1013 N PRO A 67 -9.596 7.532 -0.073 1.00 0.00 N ATOM 1014 CA PRO A 67 -9.879 6.530 0.954 1.00 0.00 C ATOM 1015 C PRO A 67 -8.718 5.569 1.143 1.00 0.00 C ATOM 1016 O PRO A 67 -8.394 5.172 2.263 1.00 0.00 O ATOM 1017 CB PRO A 67 -11.107 5.779 0.431 1.00 0.00 C ATOM 1018 CG PRO A 67 -11.208 6.107 -1.021 1.00 0.00 C ATOM 1019 CD PRO A 67 -10.477 7.403 -1.244 1.00 0.00 C ATOM 0 HA PRO A 67 -10.044 6.993 1.927 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.999 4.705 0.581 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.007 6.086 0.963 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.771 5.312 -1.625 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.252 6.199 -1.322 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.905 7.382 -2.171 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.169 8.242 -1.315 1.00 0.00 H new ATOM 1027 N PHE A 68 -8.099 5.198 0.033 1.00 0.00 N ATOM 1028 CA PHE A 68 -6.968 4.279 0.056 1.00 0.00 C ATOM 1029 C PHE A 68 -5.707 4.977 0.557 1.00 0.00 C ATOM 1030 O PHE A 68 -5.050 4.501 1.483 1.00 0.00 O ATOM 1031 CB PHE A 68 -6.727 3.707 -1.341 1.00 0.00 C ATOM 1032 CG PHE A 68 -5.883 2.466 -1.356 1.00 0.00 C ATOM 1033 CD1 PHE A 68 -4.502 2.556 -1.405 1.00 0.00 C ATOM 1034 CD2 PHE A 68 -6.470 1.212 -1.327 1.00 0.00 C ATOM 1035 CE1 PHE A 68 -3.722 1.417 -1.424 1.00 0.00 C ATOM 1036 CE2 PHE A 68 -5.694 0.069 -1.347 1.00 0.00 C ATOM 1037 CZ PHE A 68 -4.318 0.172 -1.396 1.00 0.00 C ATOM 0 H PHE A 68 -8.361 5.520 -0.899 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.205 3.465 0.741 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.689 3.485 -1.802 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.247 4.468 -1.956 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.030 3.527 -1.429 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.546 1.127 -1.288 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.646 1.500 -1.461 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.163 -0.904 -1.324 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.709 -0.720 -1.412 1.00 0.00 H new ATOM 1047 N GLU A 69 -5.378 6.109 -0.059 1.00 0.00 N ATOM 1048 CA GLU A 69 -4.195 6.871 0.325 1.00 0.00 C ATOM 1049 C GLU A 69 -4.253 7.258 1.800 1.00 0.00 C ATOM 1050 O GLU A 69 -3.225 7.345 2.471 1.00 0.00 O ATOM 1051 CB GLU A 69 -4.069 8.126 -0.539 1.00 0.00 C ATOM 1052 CG GLU A 69 -2.675 8.731 -0.538 1.00 0.00 C ATOM 1053 CD GLU A 69 -2.586 9.991 0.302 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -3.564 10.767 0.315 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -1.537 10.202 0.946 1.00 0.00 O ATOM 0 H GLU A 69 -5.913 6.518 -0.825 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.320 6.241 0.167 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.348 7.880 -1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.780 8.873 -0.185 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.964 7.996 -0.160 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.382 8.960 -1.562 1.00 0.00 H new ATOM 1062 N ASP A 70 -5.463 7.488 2.294 1.00 0.00 N ATOM 1063 CA ASP A 70 -5.658 7.868 3.688 1.00 0.00 C ATOM 1064 C ASP A 70 -5.211 6.752 4.628 1.00 0.00 C ATOM 1065 O ASP A 70 -4.448 6.986 5.565 1.00 0.00 O ATOM 1066 CB ASP A 70 -7.128 8.207 3.943 1.00 0.00 C ATOM 1067 CG ASP A 70 -7.407 9.692 3.819 1.00 0.00 C ATOM 1068 OD1 ASP A 70 -6.752 10.481 4.533 1.00 0.00 O ATOM 1069 OD2 ASP A 70 -8.281 10.067 3.009 1.00 0.00 O ATOM 0 H ASP A 70 -6.324 7.418 1.751 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.047 8.749 3.886 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.752 7.662 3.235 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.409 7.869 4.941 1.00 0.00 H new ATOM 1074 N ALA A 71 -5.693 5.539 4.373 1.00 0.00 N ATOM 1075 CA ALA A 71 -5.347 4.389 5.200 1.00 0.00 C ATOM 1076 C ALA A 71 -3.928 3.894 4.919 1.00 0.00 C ATOM 1077 O ALA A 71 -3.407 3.041 5.638 1.00 0.00 O ATOM 1078 CB ALA A 71 -6.349 3.267 4.980 1.00 0.00 C ATOM 0 H ALA A 71 -6.324 5.328 3.600 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.384 4.707 6.242 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.081 2.413 5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.347 3.613 5.248 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.338 2.970 3.931 1.00 0.00 H new ATOM 1084 N ALA A 72 -3.308 4.425 3.868 1.00 0.00 N ATOM 1085 CA ALA A 72 -1.954 4.025 3.498 1.00 0.00 C ATOM 1086 C ALA A 72 -0.938 4.426 4.565 1.00 0.00 C ATOM 1087 O ALA A 72 -0.095 3.625 4.966 1.00 0.00 O ATOM 1088 CB ALA A 72 -1.577 4.631 2.154 1.00 0.00 C ATOM 0 H ALA A 72 -3.721 5.132 3.259 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.937 2.938 3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.565 4.326 1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.273 4.284 1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.623 5.718 2.219 1.00 0.00 H new ATOM 1094 N PHE A 73 -1.021 5.673 5.014 1.00 0.00 N ATOM 1095 CA PHE A 73 -0.106 6.186 6.030 1.00 0.00 C ATOM 1096 C PHE A 73 -0.690 6.043 7.434 1.00 0.00 C ATOM 1097 O PHE A 73 -0.224 6.686 8.374 1.00 0.00 O ATOM 1098 CB PHE A 73 0.221 7.654 5.753 1.00 0.00 C ATOM 1099 CG PHE A 73 -0.992 8.491 5.467 1.00 0.00 C ATOM 1100 CD1 PHE A 73 -1.842 8.875 6.492 1.00 0.00 C ATOM 1101 CD2 PHE A 73 -1.285 8.890 4.173 1.00 0.00 C ATOM 1102 CE1 PHE A 73 -2.961 9.641 6.230 1.00 0.00 C ATOM 1103 CE2 PHE A 73 -2.403 9.657 3.906 1.00 0.00 C ATOM 1104 CZ PHE A 73 -3.242 10.032 4.936 1.00 0.00 C ATOM 0 H PHE A 73 -1.713 6.349 4.691 1.00 0.00 H new ATOM 0 HA PHE A 73 0.808 5.594 5.981 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.746 8.070 6.613 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.902 7.713 4.904 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.627 8.572 7.506 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.632 8.598 3.364 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.616 9.934 7.037 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.620 9.963 2.893 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.117 10.630 4.730 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.713 5.205 7.572 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.352 4.995 8.865 1.00 0.00 C ATOM 1116 C ARG A 74 -1.818 3.737 9.538 1.00 0.00 C ATOM 1117 O ARG A 74 -1.771 3.648 10.765 1.00 0.00 O ATOM 1118 CB ARG A 74 -3.870 4.890 8.695 1.00 0.00 C ATOM 1119 CG ARG A 74 -4.651 5.320 9.927 1.00 0.00 C ATOM 1120 CD ARG A 74 -5.821 6.219 9.560 1.00 0.00 C ATOM 1121 NE ARG A 74 -6.938 6.071 10.491 1.00 0.00 N ATOM 1122 CZ ARG A 74 -8.151 6.576 10.278 1.00 0.00 C ATOM 1123 NH1 ARG A 74 -8.408 7.261 9.172 1.00 0.00 N ATOM 1124 NH2 ARG A 74 -9.111 6.396 11.177 1.00 0.00 N ATOM 0 H ARG A 74 -2.115 4.663 6.807 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.121 5.851 9.500 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.176 5.504 7.848 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.130 3.860 8.452 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.019 4.438 10.452 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.988 5.846 10.614 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.491 7.258 9.552 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.157 5.983 8.550 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.779 5.551 11.354 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.674 7.404 8.478 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.340 7.645 9.015 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.919 5.871 12.030 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.041 6.783 11.015 1.00 0.00 H new ATOM 1138 N LEU A 75 -1.424 2.761 8.727 1.00 0.00 N ATOM 1139 CA LEU A 75 -0.901 1.504 9.248 1.00 0.00 C ATOM 1140 C LEU A 75 0.614 1.438 9.126 1.00 0.00 C ATOM 1141 O LEU A 75 1.156 0.634 8.368 1.00 0.00 O ATOM 1142 CB LEU A 75 -1.539 0.324 8.518 1.00 0.00 C ATOM 1143 CG LEU A 75 -3.007 0.050 8.854 1.00 0.00 C ATOM 1144 CD1 LEU A 75 -3.300 -1.423 8.679 1.00 0.00 C ATOM 1145 CD2 LEU A 75 -3.347 0.485 10.274 1.00 0.00 C ATOM 0 H LEU A 75 -1.457 2.816 7.709 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.155 1.451 10.307 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.457 0.497 7.445 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.961 -0.573 8.741 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.626 0.632 8.172 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.346 -1.617 8.919 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.104 -1.713 7.647 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.661 -2.003 9.346 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.397 0.275 10.477 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.724 -0.063 10.981 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.163 1.554 10.381 1.00 0.00 H new ATOM 1157 N GLN A 76 1.288 2.275 9.897 1.00 0.00 N ATOM 1158 CA GLN A 76 2.744 2.304 9.903 1.00 0.00 C ATOM 1159 C GLN A 76 3.290 1.071 10.617 1.00 0.00 C ATOM 1160 O GLN A 76 4.449 0.695 10.439 1.00 0.00 O ATOM 1161 CB GLN A 76 3.244 3.574 10.590 1.00 0.00 C ATOM 1162 CG GLN A 76 3.241 4.796 9.688 1.00 0.00 C ATOM 1163 CD GLN A 76 4.369 5.759 10.006 1.00 0.00 C ATOM 1164 OE1 GLN A 76 5.455 5.671 9.434 1.00 0.00 O ATOM 1165 NE2 GLN A 76 4.115 6.685 10.923 1.00 0.00 N ATOM 0 H GLN A 76 0.850 2.946 10.529 1.00 0.00 H new ATOM 0 HA GLN A 76 3.099 2.300 8.872 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.621 3.775 11.461 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.257 3.405 10.955 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.323 4.476 8.649 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.287 5.314 9.788 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.200 6.721 11.372 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.835 7.361 11.179 1.00 0.00 H new ATOM 1174 N VAL A 77 2.433 0.444 11.419 1.00 0.00 N ATOM 1175 CA VAL A 77 2.803 -0.755 12.161 1.00 0.00 C ATOM 1176 C VAL A 77 3.083 -1.913 11.210 1.00 0.00 C ATOM 1177 O VAL A 77 3.839 -2.829 11.536 1.00 0.00 O ATOM 1178 CB VAL A 77 1.681 -1.166 13.146 1.00 0.00 C ATOM 1179 CG1 VAL A 77 0.327 -1.134 12.456 1.00 0.00 C ATOM 1180 CG2 VAL A 77 1.946 -2.543 13.743 1.00 0.00 C ATOM 0 H VAL A 77 1.472 0.750 11.571 1.00 0.00 H new ATOM 0 HA VAL A 77 3.706 -0.525 12.726 1.00 0.00 H new ATOM 0 HB VAL A 77 1.672 -0.444 13.963 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.449 -1.426 13.164 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.127 -0.126 12.094 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.331 -1.828 11.615 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.141 -2.803 14.430 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.994 -3.283 12.944 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.893 -2.530 14.282 1.00 0.00 H new ATOM 1190 N GLY A 78 2.461 -1.872 10.037 1.00 0.00 N ATOM 1191 CA GLY A 78 2.647 -2.929 9.068 1.00 0.00 C ATOM 1192 C GLY A 78 1.568 -3.973 9.174 1.00 0.00 C ATOM 1193 O GLY A 78 1.844 -5.142 9.442 1.00 0.00 O ATOM 0 H GLY A 78 1.832 -1.125 9.742 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.648 -2.506 8.063 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.621 -3.395 9.219 1.00 0.00 H new ATOM 1197 N GLU A 79 0.336 -3.543 8.992 1.00 0.00 N ATOM 1198 CA GLU A 79 -0.797 -4.438 9.100 1.00 0.00 C ATOM 1199 C GLU A 79 -1.841 -4.127 8.045 1.00 0.00 C ATOM 1200 O GLU A 79 -1.710 -3.162 7.294 1.00 0.00 O ATOM 1201 CB GLU A 79 -1.404 -4.285 10.485 1.00 0.00 C ATOM 1202 CG GLU A 79 -2.150 -5.511 10.979 1.00 0.00 C ATOM 1203 CD GLU A 79 -3.639 -5.270 11.153 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -4.084 -4.119 10.963 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -4.360 -6.236 11.482 1.00 0.00 O ATOM 0 H GLU A 79 0.094 -2.578 8.768 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.459 -5.462 8.944 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.610 -4.048 11.193 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.088 -3.436 10.477 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.000 -6.329 10.274 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.725 -5.829 11.931 1.00 0.00 H new ATOM 1212 N VAL A 80 -2.890 -4.936 8.004 1.00 0.00 N ATOM 1213 CA VAL A 80 -3.955 -4.713 7.049 1.00 0.00 C ATOM 1214 C VAL A 80 -4.896 -3.634 7.567 1.00 0.00 C ATOM 1215 O VAL A 80 -5.096 -3.507 8.773 1.00 0.00 O ATOM 1216 CB VAL A 80 -4.757 -5.995 6.752 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -5.756 -5.750 5.632 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -3.826 -7.145 6.396 1.00 0.00 C ATOM 0 H VAL A 80 -3.022 -5.742 8.615 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.490 -4.393 6.117 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.307 -6.270 7.652 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.314 -6.666 5.435 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.447 -4.960 5.927 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.224 -5.448 4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.414 -8.039 6.190 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.244 -6.882 5.512 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.151 -7.338 7.230 1.00 0.00 H new ATOM 1228 N SER A 81 -5.457 -2.846 6.657 1.00 0.00 N ATOM 1229 CA SER A 81 -6.351 -1.761 7.045 1.00 0.00 C ATOM 1230 C SER A 81 -7.808 -2.110 6.770 1.00 0.00 C ATOM 1231 O SER A 81 -8.112 -3.062 6.052 1.00 0.00 O ATOM 1232 CB SER A 81 -5.977 -0.478 6.303 1.00 0.00 C ATOM 1233 OG SER A 81 -7.006 0.491 6.410 1.00 0.00 O ATOM 0 H SER A 81 -5.310 -2.937 5.652 1.00 0.00 H new ATOM 0 HA SER A 81 -6.237 -1.607 8.118 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.050 -0.075 6.711 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.792 -0.702 5.252 1.00 0.00 H new ATOM 0 HG SER A 81 -7.331 0.723 5.515 1.00 0.00 H new ATOM 1239 N GLU A 82 -8.702 -1.340 7.382 1.00 0.00 N ATOM 1240 CA GLU A 82 -10.138 -1.556 7.250 1.00 0.00 C ATOM 1241 C GLU A 82 -10.578 -1.679 5.793 1.00 0.00 C ATOM 1242 O GLU A 82 -9.964 -1.116 4.881 1.00 0.00 O ATOM 1243 CB GLU A 82 -10.905 -0.417 7.926 1.00 0.00 C ATOM 1244 CG GLU A 82 -10.665 -0.326 9.423 1.00 0.00 C ATOM 1245 CD GLU A 82 -9.694 0.777 9.793 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -10.035 1.961 9.582 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -8.594 0.460 10.292 1.00 0.00 O ATOM 0 H GLU A 82 -8.453 -0.553 7.981 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.366 -2.502 7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.619 0.527 7.463 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.972 -0.551 7.745 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.615 -0.154 9.929 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.280 -1.280 9.784 1.00 0.00 H new ATOM 1254 N PRO A 83 -11.670 -2.415 5.558 1.00 0.00 N ATOM 1255 CA PRO A 83 -12.210 -2.608 4.218 1.00 0.00 C ATOM 1256 C PRO A 83 -12.566 -1.283 3.560 1.00 0.00 C ATOM 1257 O PRO A 83 -13.561 -0.649 3.915 1.00 0.00 O ATOM 1258 CB PRO A 83 -13.469 -3.454 4.441 1.00 0.00 C ATOM 1259 CG PRO A 83 -13.786 -3.315 5.892 1.00 0.00 C ATOM 1260 CD PRO A 83 -12.469 -3.107 6.579 1.00 0.00 C ATOM 0 HA PRO A 83 -11.489 -3.083 3.552 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.294 -3.101 3.823 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.294 -4.496 4.175 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.456 -2.473 6.067 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -14.288 -4.206 6.270 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.576 -2.507 7.483 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.014 -4.052 6.875 1.00 0.00 H new ATOM 1268 N VAL A 84 -11.748 -0.871 2.605 1.00 0.00 N ATOM 1269 CA VAL A 84 -11.974 0.382 1.897 1.00 0.00 C ATOM 1270 C VAL A 84 -12.605 0.122 0.537 1.00 0.00 C ATOM 1271 O VAL A 84 -11.922 -0.250 -0.416 1.00 0.00 O ATOM 1272 CB VAL A 84 -10.658 1.159 1.685 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -10.897 2.409 0.852 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -10.021 1.518 3.017 1.00 0.00 C ATOM 0 H VAL A 84 -10.921 -1.385 2.301 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.646 0.979 2.514 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.969 0.513 1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.955 2.941 0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.299 2.126 -0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.609 3.057 1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.095 2.065 2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.707 2.140 3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.804 0.607 3.574 1.00 0.00 H new ATOM 1284 N LYS A 85 -13.915 0.328 0.454 1.00 0.00 N ATOM 1285 CA LYS A 85 -14.640 0.122 -0.791 1.00 0.00 C ATOM 1286 C LYS A 85 -14.707 1.412 -1.596 1.00 0.00 C ATOM 1287 O LYS A 85 -15.361 2.376 -1.194 1.00 0.00 O ATOM 1288 CB LYS A 85 -16.055 -0.391 -0.498 1.00 0.00 C ATOM 1289 CG LYS A 85 -16.960 -0.450 -1.722 1.00 0.00 C ATOM 1290 CD LYS A 85 -16.297 -1.178 -2.880 1.00 0.00 C ATOM 1291 CE LYS A 85 -17.321 -1.664 -3.894 1.00 0.00 C ATOM 1292 NZ LYS A 85 -17.610 -3.116 -3.741 1.00 0.00 N ATOM 0 H LYS A 85 -14.495 0.637 1.234 1.00 0.00 H new ATOM 0 HA LYS A 85 -14.106 -0.623 -1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -15.986 -1.388 -0.062 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.516 0.253 0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -17.891 -0.953 -1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.220 0.562 -2.031 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -15.586 -0.513 -3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -15.729 -2.027 -2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -18.244 -1.096 -3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -16.953 -1.472 -4.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -18.312 -3.407 -4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -16.734 -3.660 -3.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -17.985 -3.297 -2.788 1.00 0.00 H new ATOM 1306 N SER A 86 -14.031 1.424 -2.739 1.00 0.00 N ATOM 1307 CA SER A 86 -14.016 2.594 -3.606 1.00 0.00 C ATOM 1308 C SER A 86 -14.702 2.287 -4.932 1.00 0.00 C ATOM 1309 O SER A 86 -15.302 1.225 -5.100 1.00 0.00 O ATOM 1310 CB SER A 86 -12.579 3.056 -3.851 1.00 0.00 C ATOM 1311 OG SER A 86 -11.891 3.256 -2.627 1.00 0.00 O ATOM 0 H SER A 86 -13.486 0.635 -3.086 1.00 0.00 H new ATOM 0 HA SER A 86 -14.563 3.396 -3.110 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.052 2.314 -4.451 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.585 3.983 -4.424 1.00 0.00 H new ATOM 0 HG SER A 86 -10.924 3.233 -2.788 1.00 0.00 H new ATOM 1317 N GLU A 87 -14.609 3.220 -5.873 1.00 0.00 N ATOM 1318 CA GLU A 87 -15.222 3.044 -7.185 1.00 0.00 C ATOM 1319 C GLU A 87 -14.652 1.821 -7.901 1.00 0.00 C ATOM 1320 O GLU A 87 -15.252 1.310 -8.848 1.00 0.00 O ATOM 1321 CB GLU A 87 -15.007 4.293 -8.041 1.00 0.00 C ATOM 1322 CG GLU A 87 -13.549 4.705 -8.161 1.00 0.00 C ATOM 1323 CD GLU A 87 -13.344 6.195 -7.961 1.00 0.00 C ATOM 1324 OE1 GLU A 87 -13.805 6.977 -8.817 1.00 0.00 O ATOM 1325 OE2 GLU A 87 -12.722 6.576 -6.946 1.00 0.00 O ATOM 0 H GLU A 87 -14.116 4.105 -5.752 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.291 2.888 -7.037 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.408 4.113 -9.038 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.575 5.119 -7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.959 4.159 -7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.175 4.419 -9.144 1.00 0.00 H new ATOM 1332 N PHE A 88 -13.488 1.359 -7.451 1.00 0.00 N ATOM 1333 CA PHE A 88 -12.839 0.202 -8.057 1.00 0.00 C ATOM 1334 C PHE A 88 -13.262 -1.098 -7.374 1.00 0.00 C ATOM 1335 O PHE A 88 -13.199 -2.171 -7.974 1.00 0.00 O ATOM 1336 CB PHE A 88 -11.318 0.359 -7.988 1.00 0.00 C ATOM 1337 CG PHE A 88 -10.709 0.863 -9.265 1.00 0.00 C ATOM 1338 CD1 PHE A 88 -10.458 -0.003 -10.317 1.00 0.00 C ATOM 1339 CD2 PHE A 88 -10.390 2.203 -9.413 1.00 0.00 C ATOM 1340 CE1 PHE A 88 -9.898 0.459 -11.493 1.00 0.00 C ATOM 1341 CE2 PHE A 88 -9.829 2.670 -10.587 1.00 0.00 C ATOM 1342 CZ PHE A 88 -9.583 1.797 -11.628 1.00 0.00 C ATOM 0 H PHE A 88 -12.976 1.768 -6.669 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.151 0.150 -9.100 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.068 1.046 -7.180 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.872 -0.604 -7.737 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.703 -1.050 -10.217 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.582 2.890 -8.602 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -9.707 -0.226 -12.306 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -9.583 3.717 -10.690 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.145 2.160 -12.546 1.00 0.00 H new ATOM 1352 N GLY A 89 -13.688 -1.001 -6.116 1.00 0.00 N ATOM 1353 CA GLY A 89 -14.107 -2.185 -5.385 1.00 0.00 C ATOM 1354 C GLY A 89 -13.683 -2.158 -3.935 1.00 0.00 C ATOM 1355 O GLY A 89 -13.353 -1.102 -3.394 1.00 0.00 O ATOM 0 H GLY A 89 -13.750 -0.128 -5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.192 -2.275 -5.440 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.689 -3.070 -5.865 1.00 0.00 H new ATOM 1359 N TYR A 90 -13.686 -3.326 -3.309 1.00 0.00 N ATOM 1360 CA TYR A 90 -13.297 -3.450 -1.918 1.00 0.00 C ATOM 1361 C TYR A 90 -11.779 -3.538 -1.820 1.00 0.00 C ATOM 1362 O TYR A 90 -11.189 -4.596 -2.036 1.00 0.00 O ATOM 1363 CB TYR A 90 -13.961 -4.688 -1.319 1.00 0.00 C ATOM 1364 CG TYR A 90 -14.935 -4.380 -0.204 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -16.173 -3.812 -0.477 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -14.621 -4.660 1.119 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -17.069 -3.531 0.536 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -15.513 -4.383 2.139 1.00 0.00 C ATOM 1369 CZ TYR A 90 -16.735 -3.819 1.842 1.00 0.00 C ATOM 1370 OH TYR A 90 -17.624 -3.542 2.854 1.00 0.00 O ATOM 0 H TYR A 90 -13.956 -4.206 -3.749 1.00 0.00 H new ATOM 0 HA TYR A 90 -13.625 -2.575 -1.356 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.486 -5.225 -2.109 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.188 -5.355 -0.939 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -16.440 -3.586 -1.499 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -13.664 -5.102 1.356 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -18.027 -3.088 0.306 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -15.253 -4.607 3.163 1.00 0.00 H new ATOM 0 HH TYR A 90 -17.234 -3.807 3.713 1.00 0.00 H new ATOM 1380 N HIS A 91 -11.154 -2.405 -1.527 1.00 0.00 N ATOM 1381 CA HIS A 91 -9.704 -2.326 -1.437 1.00 0.00 C ATOM 1382 C HIS A 91 -9.176 -2.811 -0.091 1.00 0.00 C ATOM 1383 O HIS A 91 -9.869 -2.759 0.926 1.00 0.00 O ATOM 1384 CB HIS A 91 -9.249 -0.887 -1.686 1.00 0.00 C ATOM 1385 CG HIS A 91 -9.557 -0.394 -3.067 1.00 0.00 C ATOM 1386 ND1 HIS A 91 -10.823 -0.428 -3.616 1.00 0.00 N ATOM 1387 CD2 HIS A 91 -8.753 0.148 -4.013 1.00 0.00 C ATOM 1388 CE1 HIS A 91 -10.783 0.070 -4.840 1.00 0.00 C ATOM 1389 NE2 HIS A 91 -9.540 0.427 -5.105 1.00 0.00 N ATOM 0 H HIS A 91 -11.634 -1.523 -1.347 1.00 0.00 H new ATOM 0 HA HIS A 91 -9.294 -2.986 -2.201 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.729 -0.232 -0.959 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -8.175 -0.819 -1.516 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -11.659 -0.782 -3.150 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.692 0.327 -3.926 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.625 0.168 -5.510 1.00 0.00 H new ATOM 1398 N VAL A 92 -7.929 -3.267 -0.108 1.00 0.00 N ATOM 1399 CA VAL A 92 -7.250 -3.757 1.085 1.00 0.00 C ATOM 1400 C VAL A 92 -5.803 -3.279 1.073 1.00 0.00 C ATOM 1401 O VAL A 92 -5.147 -3.316 0.034 1.00 0.00 O ATOM 1402 CB VAL A 92 -7.281 -5.295 1.164 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -6.690 -5.777 2.480 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -8.702 -5.808 0.988 1.00 0.00 C ATOM 0 H VAL A 92 -7.359 -3.307 -0.953 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.772 -3.364 1.958 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.671 -5.695 0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.721 -6.866 2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.656 -5.441 2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.268 -5.370 3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.706 -6.896 1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.336 -5.400 1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.084 -5.496 0.016 1.00 0.00 H new ATOM 1414 N ILE A 93 -5.312 -2.802 2.214 1.00 0.00 N ATOM 1415 CA ILE A 93 -3.946 -2.290 2.287 1.00 0.00 C ATOM 1416 C ILE A 93 -3.114 -2.991 3.359 1.00 0.00 C ATOM 1417 O ILE A 93 -3.457 -2.973 4.539 1.00 0.00 O ATOM 1418 CB ILE A 93 -3.924 -0.765 2.561 1.00 0.00 C ATOM 1419 CG1 ILE A 93 -5.327 -0.163 2.412 1.00 0.00 C ATOM 1420 CG2 ILE A 93 -2.944 -0.071 1.625 1.00 0.00 C ATOM 1421 CD1 ILE A 93 -5.359 1.345 2.551 1.00 0.00 C ATOM 0 H ILE A 93 -5.832 -2.759 3.091 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.503 -2.495 1.312 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.594 -0.608 3.588 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.729 -0.438 1.437 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.983 -0.603 3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.941 0.999 1.830 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.943 -0.474 1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.245 -0.241 0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.383 1.700 2.434 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.987 1.628 3.536 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.730 1.795 1.783 1.00 0.00 H new ATOM 1433 N LYS A 94 -1.998 -3.577 2.931 1.00 0.00 N ATOM 1434 CA LYS A 94 -1.075 -4.259 3.836 1.00 0.00 C ATOM 1435 C LYS A 94 0.337 -3.725 3.609 1.00 0.00 C ATOM 1436 O LYS A 94 0.913 -3.904 2.536 1.00 0.00 O ATOM 1437 CB LYS A 94 -1.119 -5.774 3.618 1.00 0.00 C ATOM 1438 CG LYS A 94 -0.854 -6.577 4.881 1.00 0.00 C ATOM 1439 CD LYS A 94 0.575 -6.393 5.370 1.00 0.00 C ATOM 1440 CE LYS A 94 0.967 -7.473 6.366 1.00 0.00 C ATOM 1441 NZ LYS A 94 1.757 -8.561 5.726 1.00 0.00 N ATOM 0 H LYS A 94 -1.709 -3.593 1.953 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.374 -4.063 4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.097 -6.048 3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.381 -6.046 2.863 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.549 -6.269 5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.040 -7.633 4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.257 -6.416 4.520 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.678 -5.413 5.835 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.550 -7.028 7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.068 -7.894 6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.456 -9.480 6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.599 -8.546 4.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.768 -8.418 5.923 1.00 0.00 H new ATOM 1455 N ARG A 95 0.868 -3.026 4.608 1.00 0.00 N ATOM 1456 CA ARG A 95 2.188 -2.412 4.502 1.00 0.00 C ATOM 1457 C ARG A 95 3.277 -3.424 4.183 1.00 0.00 C ATOM 1458 O ARG A 95 3.333 -4.515 4.751 1.00 0.00 O ATOM 1459 CB ARG A 95 2.530 -1.671 5.796 1.00 0.00 C ATOM 1460 CG ARG A 95 2.955 -0.229 5.579 1.00 0.00 C ATOM 1461 CD ARG A 95 3.986 0.208 6.608 1.00 0.00 C ATOM 1462 NE ARG A 95 4.323 1.624 6.480 1.00 0.00 N ATOM 1463 CZ ARG A 95 5.316 2.211 7.144 1.00 0.00 C ATOM 1464 NH1 ARG A 95 6.071 1.511 7.980 1.00 0.00 N ATOM 1465 NH2 ARG A 95 5.555 3.505 6.968 1.00 0.00 N ATOM 0 H ARG A 95 0.403 -2.870 5.502 1.00 0.00 H new ATOM 0 HA ARG A 95 2.146 -1.707 3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.662 -1.690 6.455 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.331 -2.204 6.309 1.00 0.00 H new ATOM 0 HG2 ARG A 95 3.369 -0.117 4.577 1.00 0.00 H new ATOM 0 HG3 ARG A 95 2.082 0.422 5.637 1.00 0.00 H new ATOM 0 HD2 ARG A 95 3.602 0.016 7.610 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.889 -0.391 6.493 1.00 0.00 H new ATOM 0 HE ARG A 95 3.765 2.195 5.845 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.892 0.516 8.117 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.830 1.967 8.486 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.978 4.047 6.325 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.315 3.957 7.476 1.00 0.00 H new ATOM 1479 N LEU A 96 4.146 -3.025 3.260 1.00 0.00 N ATOM 1480 CA LEU A 96 5.254 -3.832 2.824 1.00 0.00 C ATOM 1481 C LEU A 96 6.333 -2.937 2.218 1.00 0.00 C ATOM 1482 O LEU A 96 6.114 -2.267 1.209 1.00 0.00 O ATOM 1483 CB LEU A 96 4.771 -4.870 1.807 1.00 0.00 C ATOM 1484 CG LEU A 96 5.044 -4.550 0.331 1.00 0.00 C ATOM 1485 CD1 LEU A 96 6.499 -4.835 -0.018 1.00 0.00 C ATOM 1486 CD2 LEU A 96 4.107 -5.341 -0.567 1.00 0.00 C ATOM 0 H LEU A 96 4.090 -2.119 2.795 1.00 0.00 H new ATOM 0 HA LEU A 96 5.681 -4.360 3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.240 -5.825 2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.697 -5.002 1.936 1.00 0.00 H new ATOM 0 HG LEU A 96 4.858 -3.489 0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.674 -4.602 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.149 -4.219 0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.717 -5.888 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.314 -5.102 -1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.259 -6.408 -0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.074 -5.082 -0.334 1.00 0.00 H new ATOM 1498 N GLY A 97 7.491 -2.925 2.845 1.00 0.00 N ATOM 1499 CA GLY A 97 8.589 -2.114 2.360 1.00 0.00 C ATOM 1500 C GLY A 97 9.936 -2.609 2.846 1.00 0.00 C ATOM 1501 O GLY A 97 9.986 -3.221 3.935 1.00 0.00 O ATOM 1502 OXT GLY A 97 10.941 -2.387 2.138 1.00 0.00 O ATOM 0 H GLY A 97 7.696 -3.464 3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.579 -2.109 1.270 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.446 -1.083 2.684 1.00 0.00 H new