USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 593 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 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.584! X(o=-0.58!,f=-0.84) USER MOD Single : A 16 GLN : amide:sc= -0.0398 X(o=-0.04,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0948 K(o=-0.095,f=-1.9!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0896 K(o=-0.09,f=-1.1!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0247 K(o=-0.025,f=-0.59) USER MOD Single : A 41 TYR OH : rot 176:sc= -0.348 USER MOD Single : A 42 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.4!) USER MOD Single : A 43 HIS : no HD1:sc= -0.0248 X(o=-0.025,f=-0.15) USER MOD Single : A 46 GLN : amide:sc= -0.544 X(o=-0.54,f=-0.063) USER MOD Single : A 50 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.3) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -4.73! C(o=-4.7!,f=-15!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0.373 X(o=0.37,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -2.62! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= -0.271 USER MOD Single : A 78 LYS NZ :NH3+ 162:sc= -0.0454 (180deg=-0.306) USER MOD Single : A 80 LYS NZ :NH3+ 155:sc= 0.314 (180deg=0.123) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 119 N SER A 12 -5.909 20.324 6.490 1.00 0.00 N ATOM 120 CA SER A 12 -6.340 20.007 5.134 1.00 0.00 C ATOM 121 C SER A 12 -7.042 18.653 5.089 1.00 0.00 C ATOM 122 O SER A 12 -6.894 17.819 5.982 1.00 0.00 O ATOM 123 CB SER A 12 -5.141 20.004 4.183 1.00 0.00 C ATOM 124 OG SER A 12 -4.901 21.299 3.660 1.00 0.00 O ATOM 0 HA SER A 12 -7.046 20.774 4.815 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.255 19.652 4.711 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.323 19.306 3.366 1.00 0.00 H new ATOM 0 HG SER A 12 -4.129 21.270 3.057 1.00 0.00 H new ATOM 130 N PRO A 13 -7.825 18.429 4.023 1.00 0.00 N ATOM 131 CA PRO A 13 -8.567 17.179 3.835 1.00 0.00 C ATOM 132 C PRO A 13 -7.648 16.001 3.530 1.00 0.00 C ATOM 133 O PRO A 13 -7.880 14.884 3.991 1.00 0.00 O ATOM 134 CB PRO A 13 -9.468 17.478 2.635 1.00 0.00 C ATOM 135 CG PRO A 13 -8.757 18.551 1.885 1.00 0.00 C ATOM 136 CD PRO A 13 -8.048 19.379 2.921 1.00 0.00 C ATOM 0 HA PRO A 13 -9.113 16.890 4.733 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.611 16.592 2.017 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.457 17.807 2.955 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.049 18.126 1.173 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.459 19.158 1.313 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.109 19.781 2.541 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.652 20.229 3.239 1.00 0.00 H new ATOM 144 N ASN A 14 -6.603 16.258 2.749 1.00 0.00 N ATOM 145 CA ASN A 14 -5.648 15.218 2.383 1.00 0.00 C ATOM 146 C ASN A 14 -4.898 14.711 3.610 1.00 0.00 C ATOM 147 O ASN A 14 -4.746 13.504 3.804 1.00 0.00 O ATOM 148 CB ASN A 14 -4.655 15.750 1.348 1.00 0.00 C ATOM 149 CG ASN A 14 -5.284 15.923 -0.021 1.00 0.00 C ATOM 150 OD1 ASN A 14 -5.796 14.969 -0.607 1.00 0.00 O ATOM 151 ND2 ASN A 14 -5.248 17.146 -0.538 1.00 0.00 N ATOM 0 H ASN A 14 -6.396 17.177 2.358 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.203 14.386 1.950 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.259 16.708 1.687 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.811 15.065 1.273 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.655 17.324 -1.456 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.813 17.907 -0.017 1.00 0.00 H new ATOM 158 N LEU A 15 -4.431 15.640 4.437 1.00 0.00 N ATOM 159 CA LEU A 15 -3.697 15.288 5.647 1.00 0.00 C ATOM 160 C LEU A 15 -4.577 14.493 6.607 1.00 0.00 C ATOM 161 O LEU A 15 -4.196 13.416 7.064 1.00 0.00 O ATOM 162 CB LEU A 15 -3.180 16.550 6.339 1.00 0.00 C ATOM 163 CG LEU A 15 -2.483 16.341 7.684 1.00 0.00 C ATOM 164 CD1 LEU A 15 -1.352 15.333 7.548 1.00 0.00 C ATOM 165 CD2 LEU A 15 -1.958 17.664 8.224 1.00 0.00 C ATOM 0 H LEU A 15 -4.548 16.643 4.291 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.850 14.665 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.484 17.050 5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.020 17.228 6.489 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.212 15.946 8.392 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.868 15.197 8.515 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.754 14.379 7.206 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.623 15.699 6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.465 17.496 9.182 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.244 18.088 7.518 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.788 18.357 8.360 1.00 0.00 H new ATOM 177 N GLN A 16 -5.755 15.031 6.904 1.00 0.00 N ATOM 178 CA GLN A 16 -6.689 14.370 7.808 1.00 0.00 C ATOM 179 C GLN A 16 -6.881 12.908 7.419 1.00 0.00 C ATOM 180 O GLN A 16 -6.841 12.018 8.268 1.00 0.00 O ATOM 181 CB GLN A 16 -8.037 15.093 7.799 1.00 0.00 C ATOM 182 CG GLN A 16 -9.046 14.511 8.776 1.00 0.00 C ATOM 183 CD GLN A 16 -8.750 14.887 10.214 1.00 0.00 C ATOM 184 OE1 GLN A 16 -9.266 15.880 10.727 1.00 0.00 O ATOM 185 NE2 GLN A 16 -7.915 14.093 10.874 1.00 0.00 N ATOM 0 H GLN A 16 -6.085 15.922 6.533 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.270 14.407 8.814 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.878 16.145 8.038 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.454 15.054 6.793 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.044 14.859 8.512 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.052 13.425 8.682 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.510 13.280 10.410 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.679 14.296 11.845 1.00 0.00 H new ATOM 194 N LYS A 17 -7.090 12.666 6.129 1.00 0.00 N ATOM 195 CA LYS A 17 -7.287 11.312 5.626 1.00 0.00 C ATOM 196 C LYS A 17 -6.084 10.431 5.948 1.00 0.00 C ATOM 197 O LYS A 17 -6.237 9.273 6.334 1.00 0.00 O ATOM 198 CB LYS A 17 -7.523 11.337 4.114 1.00 0.00 C ATOM 199 CG LYS A 17 -7.754 9.962 3.512 1.00 0.00 C ATOM 200 CD LYS A 17 -8.645 10.034 2.283 1.00 0.00 C ATOM 201 CE LYS A 17 -9.262 8.681 1.962 1.00 0.00 C ATOM 202 NZ LYS A 17 -10.267 8.775 0.867 1.00 0.00 N ATOM 0 H LYS A 17 -7.127 13.391 5.413 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.164 10.893 6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.386 11.968 3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.663 11.797 3.628 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.796 9.516 3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.211 9.310 4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.436 10.766 2.448 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.062 10.381 1.430 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.476 7.983 1.675 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.736 8.277 2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.664 7.832 0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.030 9.422 1.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.809 9.137 0.006 1.00 0.00 H new ATOM 216 N ALA A 18 -4.888 10.989 5.789 1.00 0.00 N ATOM 217 CA ALA A 18 -3.660 10.255 6.067 1.00 0.00 C ATOM 218 C ALA A 18 -3.627 9.765 7.511 1.00 0.00 C ATOM 219 O ALA A 18 -3.272 8.617 7.778 1.00 0.00 O ATOM 220 CB ALA A 18 -2.447 11.127 5.776 1.00 0.00 C ATOM 0 H ALA A 18 -4.744 11.947 5.469 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.632 9.382 5.414 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.537 10.566 5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.455 11.423 4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.480 12.017 6.404 1.00 0.00 H new ATOM 226 N ILE A 19 -4.000 10.642 8.437 1.00 0.00 N ATOM 227 CA ILE A 19 -4.014 10.298 9.853 1.00 0.00 C ATOM 228 C ILE A 19 -4.971 9.144 10.129 1.00 0.00 C ATOM 229 O ILE A 19 -4.573 8.107 10.660 1.00 0.00 O ATOM 230 CB ILE A 19 -4.418 11.504 10.722 1.00 0.00 C ATOM 231 CG1 ILE A 19 -3.400 12.636 10.565 1.00 0.00 C ATOM 232 CG2 ILE A 19 -4.537 11.089 12.180 1.00 0.00 C ATOM 233 CD1 ILE A 19 -3.988 14.012 10.787 1.00 0.00 C ATOM 0 H ILE A 19 -4.297 11.596 8.232 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.000 9.996 10.114 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.390 11.866 10.388 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.584 12.480 11.271 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.970 12.591 9.565 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.823 11.952 12.782 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.295 10.312 12.276 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.578 10.705 12.529 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.210 14.765 10.660 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.785 14.188 10.065 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.393 14.076 11.797 1.00 0.00 H new ATOM 245 N ASP A 20 -6.235 9.330 9.763 1.00 0.00 N ATOM 246 CA ASP A 20 -7.250 8.303 9.968 1.00 0.00 C ATOM 247 C ASP A 20 -6.802 6.971 9.375 1.00 0.00 C ATOM 248 O ASP A 20 -6.880 5.931 10.030 1.00 0.00 O ATOM 249 CB ASP A 20 -8.576 8.735 9.341 1.00 0.00 C ATOM 250 CG ASP A 20 -9.763 8.004 9.937 1.00 0.00 C ATOM 251 OD1 ASP A 20 -9.589 6.846 10.372 1.00 0.00 O ATOM 252 OD2 ASP A 20 -10.866 8.588 9.967 1.00 0.00 O ATOM 0 H ASP A 20 -6.581 10.183 9.323 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.390 8.173 11.041 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.707 9.808 9.479 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.543 8.553 8.267 1.00 0.00 H new ATOM 257 N LEU A 21 -6.335 7.009 8.132 1.00 0.00 N ATOM 258 CA LEU A 21 -5.875 5.805 7.450 1.00 0.00 C ATOM 259 C LEU A 21 -4.846 5.060 8.294 1.00 0.00 C ATOM 260 O LEU A 21 -5.024 3.885 8.614 1.00 0.00 O ATOM 261 CB LEU A 21 -5.273 6.163 6.090 1.00 0.00 C ATOM 262 CG LEU A 21 -6.271 6.517 4.987 1.00 0.00 C ATOM 263 CD1 LEU A 21 -5.542 6.990 3.739 1.00 0.00 C ATOM 264 CD2 LEU A 21 -7.159 5.323 4.667 1.00 0.00 C ATOM 0 H LEU A 21 -6.265 7.861 7.576 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.735 5.152 7.299 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.597 7.007 6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.669 5.322 5.750 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.904 7.330 5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.269 7.237 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.950 7.874 3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.884 6.198 3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.863 5.594 3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.542 4.490 4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.709 5.029 5.561 1.00 0.00 H new ATOM 276 N ALA A 22 -3.770 5.752 8.653 1.00 0.00 N ATOM 277 CA ALA A 22 -2.714 5.158 9.464 1.00 0.00 C ATOM 278 C ALA A 22 -3.280 4.551 10.743 1.00 0.00 C ATOM 279 O ALA A 22 -2.944 3.424 11.108 1.00 0.00 O ATOM 280 CB ALA A 22 -1.654 6.198 9.795 1.00 0.00 C ATOM 0 H ALA A 22 -3.606 6.725 8.395 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.253 4.357 8.886 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.872 5.740 10.401 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.220 6.582 8.872 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.110 7.018 10.350 1.00 0.00 H new ATOM 286 N SER A 23 -4.140 5.305 11.420 1.00 0.00 N ATOM 287 CA SER A 23 -4.749 4.842 12.662 1.00 0.00 C ATOM 288 C SER A 23 -5.518 3.544 12.439 1.00 0.00 C ATOM 289 O SER A 23 -5.378 2.586 13.199 1.00 0.00 O ATOM 290 CB SER A 23 -5.686 5.913 13.225 1.00 0.00 C ATOM 291 OG SER A 23 -5.917 5.712 14.608 1.00 0.00 O ATOM 0 H SER A 23 -4.431 6.239 11.130 1.00 0.00 H new ATOM 0 HA SER A 23 -3.952 4.652 13.380 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.253 6.900 13.065 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.634 5.890 12.688 1.00 0.00 H new ATOM 0 HG SER A 23 -6.517 6.410 14.944 1.00 0.00 H new ATOM 297 N LYS A 24 -6.333 3.519 11.389 1.00 0.00 N ATOM 298 CA LYS A 24 -7.125 2.340 11.062 1.00 0.00 C ATOM 299 C LYS A 24 -6.230 1.122 10.859 1.00 0.00 C ATOM 300 O LYS A 24 -6.516 0.038 11.366 1.00 0.00 O ATOM 301 CB LYS A 24 -7.956 2.591 9.802 1.00 0.00 C ATOM 302 CG LYS A 24 -9.227 1.762 9.736 1.00 0.00 C ATOM 303 CD LYS A 24 -10.189 2.299 8.690 1.00 0.00 C ATOM 304 CE LYS A 24 -11.624 1.894 8.992 1.00 0.00 C ATOM 305 NZ LYS A 24 -12.606 2.757 8.280 1.00 0.00 N ATOM 0 H LYS A 24 -6.462 4.303 10.750 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.795 2.141 11.898 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.219 3.648 9.755 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.345 2.375 8.925 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.976 0.727 9.503 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.713 1.761 10.712 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.117 3.386 8.652 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.904 1.926 7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.777 0.855 8.702 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.800 1.954 10.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.572 2.449 8.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.478 3.746 8.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.455 2.680 7.254 1.00 0.00 H new ATOM 319 N ALA A 25 -5.144 1.309 10.116 1.00 0.00 N ATOM 320 CA ALA A 25 -4.205 0.227 9.849 1.00 0.00 C ATOM 321 C ALA A 25 -3.859 -0.528 11.129 1.00 0.00 C ATOM 322 O ALA A 25 -4.048 -1.741 11.215 1.00 0.00 O ATOM 323 CB ALA A 25 -2.942 0.772 9.198 1.00 0.00 C ATOM 0 H ALA A 25 -4.893 2.200 9.688 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.681 -0.473 9.162 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.250 -0.047 9.004 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.199 1.260 8.258 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.472 1.494 9.865 1.00 0.00 H new ATOM 329 N ALA A 26 -3.351 0.198 12.119 1.00 0.00 N ATOM 330 CA ALA A 26 -2.980 -0.403 13.394 1.00 0.00 C ATOM 331 C ALA A 26 -4.149 -1.172 13.999 1.00 0.00 C ATOM 332 O ALA A 26 -4.029 -2.356 14.312 1.00 0.00 O ATOM 333 CB ALA A 26 -2.492 0.667 14.360 1.00 0.00 C ATOM 0 H ALA A 26 -3.187 1.203 12.063 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.170 -1.109 13.213 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.218 0.204 15.308 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.622 1.169 13.937 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.286 1.395 14.528 1.00 0.00 H new ATOM 339 N GLN A 27 -5.278 -0.490 14.163 1.00 0.00 N ATOM 340 CA GLN A 27 -6.469 -1.110 14.732 1.00 0.00 C ATOM 341 C GLN A 27 -6.697 -2.497 14.140 1.00 0.00 C ATOM 342 O GLN A 27 -6.977 -3.452 14.863 1.00 0.00 O ATOM 343 CB GLN A 27 -7.696 -0.230 14.487 1.00 0.00 C ATOM 344 CG GLN A 27 -7.567 1.169 15.068 1.00 0.00 C ATOM 345 CD GLN A 27 -7.956 1.230 16.532 1.00 0.00 C ATOM 346 OE1 GLN A 27 -8.596 0.318 17.055 1.00 0.00 O ATOM 347 NE2 GLN A 27 -7.570 2.310 17.203 1.00 0.00 N ATOM 0 H GLN A 27 -5.393 0.491 13.910 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.315 -1.214 15.806 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.870 -0.154 13.414 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.572 -0.714 14.918 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.539 1.512 14.954 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.196 1.854 14.500 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.041 3.042 16.730 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.803 2.407 18.191 1.00 0.00 H new ATOM 356 N GLU A 28 -6.576 -2.599 12.820 1.00 0.00 N ATOM 357 CA GLU A 28 -6.770 -3.869 12.131 1.00 0.00 C ATOM 358 C GLU A 28 -5.723 -4.890 12.566 1.00 0.00 C ATOM 359 O GLU A 28 -6.058 -5.987 13.012 1.00 0.00 O ATOM 360 CB GLU A 28 -6.704 -3.668 10.615 1.00 0.00 C ATOM 361 CG GLU A 28 -7.828 -2.807 10.065 1.00 0.00 C ATOM 362 CD GLU A 28 -9.166 -3.522 10.071 1.00 0.00 C ATOM 363 OE1 GLU A 28 -9.819 -3.548 11.135 1.00 0.00 O ATOM 364 OE2 GLU A 28 -9.559 -4.055 9.013 1.00 0.00 O ATOM 0 H GLU A 28 -6.345 -1.817 12.207 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.756 -4.250 12.397 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.749 -3.210 10.359 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.732 -4.642 10.126 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.905 -1.895 10.657 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.585 -2.506 9.046 1.00 0.00 H new ATOM 371 N ASP A 29 -4.454 -4.520 12.432 1.00 0.00 N ATOM 372 CA ASP A 29 -3.356 -5.403 12.812 1.00 0.00 C ATOM 373 C ASP A 29 -3.649 -6.093 14.141 1.00 0.00 C ATOM 374 O ASP A 29 -3.743 -7.318 14.209 1.00 0.00 O ATOM 375 CB ASP A 29 -2.050 -4.613 12.910 1.00 0.00 C ATOM 376 CG ASP A 29 -0.885 -5.475 13.357 1.00 0.00 C ATOM 377 OD1 ASP A 29 -1.007 -6.137 14.409 1.00 0.00 O ATOM 378 OD2 ASP A 29 0.148 -5.487 12.655 1.00 0.00 O ATOM 0 H ASP A 29 -4.160 -3.616 12.063 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.253 -6.167 12.042 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.821 -4.173 11.940 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.179 -3.789 13.612 1.00 0.00 H new ATOM 383 N LYS A 30 -3.790 -5.298 15.196 1.00 0.00 N ATOM 384 CA LYS A 30 -4.072 -5.831 16.523 1.00 0.00 C ATOM 385 C LYS A 30 -5.256 -6.792 16.484 1.00 0.00 C ATOM 386 O LYS A 30 -5.198 -7.886 17.044 1.00 0.00 O ATOM 387 CB LYS A 30 -4.360 -4.690 17.503 1.00 0.00 C ATOM 388 CG LYS A 30 -3.968 -5.006 18.936 1.00 0.00 C ATOM 389 CD LYS A 30 -4.846 -4.264 19.930 1.00 0.00 C ATOM 390 CE LYS A 30 -4.355 -2.842 20.153 1.00 0.00 C ATOM 391 NZ LYS A 30 -5.114 -2.156 21.235 1.00 0.00 N ATOM 0 H LYS A 30 -3.713 -4.282 15.158 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.193 -6.379 16.861 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.825 -3.798 17.177 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.423 -4.453 17.470 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.049 -6.079 19.108 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.925 -4.735 19.097 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.873 -4.243 19.565 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.856 -4.800 20.879 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.295 -2.860 20.408 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.451 -2.275 19.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.749 -1.190 21.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.122 -2.116 20.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.002 -2.682 22.125 1.00 0.00 H new ATOM 405 N ALA A 31 -6.328 -6.376 15.818 1.00 0.00 N ATOM 406 CA ALA A 31 -7.524 -7.201 15.703 1.00 0.00 C ATOM 407 C ALA A 31 -7.211 -8.528 15.018 1.00 0.00 C ATOM 408 O ALA A 31 -7.876 -9.534 15.260 1.00 0.00 O ATOM 409 CB ALA A 31 -8.609 -6.455 14.942 1.00 0.00 C ATOM 0 H ALA A 31 -6.393 -5.472 15.350 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.885 -7.417 16.709 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.496 -7.083 14.864 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.860 -5.537 15.473 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.249 -6.209 13.943 1.00 0.00 H new ATOM 415 N GLY A 32 -6.195 -8.521 14.161 1.00 0.00 N ATOM 416 CA GLY A 32 -5.813 -9.729 13.453 1.00 0.00 C ATOM 417 C GLY A 32 -5.906 -9.574 11.948 1.00 0.00 C ATOM 418 O GLY A 32 -5.750 -10.543 11.207 1.00 0.00 O ATOM 0 H GLY A 32 -5.629 -7.700 13.944 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.792 -9.998 13.725 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.455 -10.551 13.771 1.00 0.00 H new ATOM 422 N ASN A 33 -6.162 -8.350 11.496 1.00 0.00 N ATOM 423 CA ASN A 33 -6.278 -8.072 10.069 1.00 0.00 C ATOM 424 C ASN A 33 -4.983 -7.477 9.524 1.00 0.00 C ATOM 425 O ASN A 33 -4.676 -6.308 9.760 1.00 0.00 O ATOM 426 CB ASN A 33 -7.442 -7.113 9.808 1.00 0.00 C ATOM 427 CG ASN A 33 -8.766 -7.838 9.661 1.00 0.00 C ATOM 428 OD1 ASN A 33 -8.828 -8.933 9.103 1.00 0.00 O ATOM 429 ND2 ASN A 33 -9.833 -7.228 10.164 1.00 0.00 N ATOM 0 H ASN A 33 -6.293 -7.536 12.097 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.469 -9.014 9.555 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.511 -6.398 10.628 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.242 -6.541 8.902 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.751 -7.667 10.096 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.735 -6.320 10.618 1.00 0.00 H new ATOM 436 N TYR A 34 -4.227 -8.290 8.794 1.00 0.00 N ATOM 437 CA TYR A 34 -2.964 -7.845 8.216 1.00 0.00 C ATOM 438 C TYR A 34 -3.160 -7.367 6.781 1.00 0.00 C ATOM 439 O TYR A 34 -2.679 -6.300 6.400 1.00 0.00 O ATOM 440 CB TYR A 34 -1.936 -8.977 8.253 1.00 0.00 C ATOM 441 CG TYR A 34 -1.265 -9.143 9.598 1.00 0.00 C ATOM 442 CD1 TYR A 34 -1.994 -9.045 10.776 1.00 0.00 C ATOM 443 CD2 TYR A 34 0.098 -9.396 9.690 1.00 0.00 C ATOM 444 CE1 TYR A 34 -1.386 -9.194 12.008 1.00 0.00 C ATOM 445 CE2 TYR A 34 0.715 -9.549 10.917 1.00 0.00 C ATOM 446 CZ TYR A 34 -0.031 -9.447 12.072 1.00 0.00 C ATOM 447 OH TYR A 34 0.580 -9.597 13.296 1.00 0.00 O ATOM 0 H TYR A 34 -4.467 -9.260 8.589 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.596 -7.009 8.811 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.428 -9.912 7.984 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.174 -8.789 7.497 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.055 -8.849 10.728 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.685 -9.474 8.787 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.967 -9.113 12.915 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.775 -9.747 10.971 1.00 0.00 H new ATOM 0 HH TYR A 34 1.536 -9.771 13.165 1.00 0.00 H new ATOM 457 N GLU A 35 -3.870 -8.165 5.990 1.00 0.00 N ATOM 458 CA GLU A 35 -4.130 -7.823 4.596 1.00 0.00 C ATOM 459 C GLU A 35 -4.777 -6.446 4.485 1.00 0.00 C ATOM 460 O GLU A 35 -4.461 -5.672 3.582 1.00 0.00 O ATOM 461 CB GLU A 35 -5.032 -8.877 3.950 1.00 0.00 C ATOM 462 CG GLU A 35 -5.128 -8.751 2.438 1.00 0.00 C ATOM 463 CD GLU A 35 -5.944 -7.548 2.004 1.00 0.00 C ATOM 464 OE1 GLU A 35 -6.858 -7.149 2.754 1.00 0.00 O ATOM 465 OE2 GLU A 35 -5.666 -7.007 0.913 1.00 0.00 O ATOM 0 H GLU A 35 -4.275 -9.052 6.290 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.176 -7.800 4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.655 -9.869 4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.032 -8.799 4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.125 -8.675 2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.577 -9.656 2.029 1.00 0.00 H new ATOM 472 N GLU A 36 -5.685 -6.148 5.410 1.00 0.00 N ATOM 473 CA GLU A 36 -6.377 -4.865 5.414 1.00 0.00 C ATOM 474 C GLU A 36 -5.477 -3.763 5.967 1.00 0.00 C ATOM 475 O GLU A 36 -5.439 -2.654 5.436 1.00 0.00 O ATOM 476 CB GLU A 36 -7.660 -4.956 6.244 1.00 0.00 C ATOM 477 CG GLU A 36 -8.739 -3.981 5.804 1.00 0.00 C ATOM 478 CD GLU A 36 -9.594 -4.527 4.677 1.00 0.00 C ATOM 479 OE1 GLU A 36 -9.939 -5.726 4.721 1.00 0.00 O ATOM 480 OE2 GLU A 36 -9.920 -3.754 3.752 1.00 0.00 O ATOM 0 H GLU A 36 -5.958 -6.777 6.165 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.635 -4.617 4.385 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.052 -5.971 6.182 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.420 -4.771 7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.376 -3.742 6.655 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.273 -3.050 5.483 1.00 0.00 H new ATOM 487 N ALA A 37 -4.755 -4.079 7.037 1.00 0.00 N ATOM 488 CA ALA A 37 -3.855 -3.117 7.662 1.00 0.00 C ATOM 489 C ALA A 37 -2.771 -2.668 6.688 1.00 0.00 C ATOM 490 O ALA A 37 -2.384 -1.499 6.669 1.00 0.00 O ATOM 491 CB ALA A 37 -3.229 -3.716 8.913 1.00 0.00 C ATOM 0 H ALA A 37 -4.776 -4.993 7.489 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.438 -2.241 7.945 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.559 -2.987 9.370 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.014 -3.981 9.621 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.665 -4.609 8.645 1.00 0.00 H new ATOM 497 N LEU A 38 -2.282 -3.604 5.882 1.00 0.00 N ATOM 498 CA LEU A 38 -1.241 -3.304 4.905 1.00 0.00 C ATOM 499 C LEU A 38 -1.677 -2.180 3.971 1.00 0.00 C ATOM 500 O LEU A 38 -1.071 -1.109 3.949 1.00 0.00 O ATOM 501 CB LEU A 38 -0.901 -4.555 4.093 1.00 0.00 C ATOM 502 CG LEU A 38 0.090 -4.361 2.944 1.00 0.00 C ATOM 503 CD1 LEU A 38 1.446 -3.924 3.478 1.00 0.00 C ATOM 504 CD2 LEU A 38 0.222 -5.641 2.132 1.00 0.00 C ATOM 0 H LEU A 38 -2.589 -4.577 5.886 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.353 -2.977 5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.497 -5.306 4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.826 -4.961 3.684 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.290 -3.577 2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.139 -3.791 2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.339 -2.982 4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.833 -4.686 4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.931 -5.485 1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.579 -6.445 2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.750 -5.912 1.719 1.00 0.00 H new ATOM 516 N GLN A 39 -2.732 -2.432 3.203 1.00 0.00 N ATOM 517 CA GLN A 39 -3.250 -1.440 2.268 1.00 0.00 C ATOM 518 C GLN A 39 -3.318 -0.062 2.919 1.00 0.00 C ATOM 519 O GLN A 39 -2.741 0.903 2.415 1.00 0.00 O ATOM 520 CB GLN A 39 -4.637 -1.851 1.772 1.00 0.00 C ATOM 521 CG GLN A 39 -4.603 -2.763 0.557 1.00 0.00 C ATOM 522 CD GLN A 39 -4.297 -2.015 -0.726 1.00 0.00 C ATOM 523 OE1 GLN A 39 -4.810 -0.920 -0.957 1.00 0.00 O ATOM 524 NE2 GLN A 39 -3.455 -2.603 -1.568 1.00 0.00 N ATOM 0 H GLN A 39 -3.245 -3.314 3.210 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.569 -1.388 1.419 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.168 -2.355 2.580 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.207 -0.954 1.527 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.851 -3.537 0.710 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.564 -3.267 0.459 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.053 -3.511 -1.336 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.210 -2.146 -2.447 1.00 0.00 H new ATOM 533 N LEU A 40 -4.025 0.023 4.040 1.00 0.00 N ATOM 534 CA LEU A 40 -4.168 1.284 4.761 1.00 0.00 C ATOM 535 C LEU A 40 -2.805 1.905 5.048 1.00 0.00 C ATOM 536 O LEU A 40 -2.567 3.074 4.744 1.00 0.00 O ATOM 537 CB LEU A 40 -4.927 1.062 6.070 1.00 0.00 C ATOM 538 CG LEU A 40 -6.407 0.702 5.936 1.00 0.00 C ATOM 539 CD1 LEU A 40 -6.940 0.138 7.243 1.00 0.00 C ATOM 540 CD2 LEU A 40 -7.215 1.919 5.509 1.00 0.00 C ATOM 0 H LEU A 40 -4.508 -0.766 4.470 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.734 1.972 4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.429 0.267 6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.847 1.968 6.671 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.507 -0.064 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.995 -0.112 7.128 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.381 -0.760 7.507 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.827 0.881 8.033 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.266 1.644 5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.109 2.706 6.255 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.850 2.279 4.547 1.00 0.00 H new ATOM 552 N TYR A 41 -1.913 1.114 5.634 1.00 0.00 N ATOM 553 CA TYR A 41 -0.573 1.586 5.963 1.00 0.00 C ATOM 554 C TYR A 41 0.073 2.271 4.763 1.00 0.00 C ATOM 555 O TYR A 41 0.802 3.251 4.913 1.00 0.00 O ATOM 556 CB TYR A 41 0.301 0.421 6.431 1.00 0.00 C ATOM 557 CG TYR A 41 0.169 0.121 7.907 1.00 0.00 C ATOM 558 CD1 TYR A 41 0.334 1.121 8.857 1.00 0.00 C ATOM 559 CD2 TYR A 41 -0.118 -1.164 8.352 1.00 0.00 C ATOM 560 CE1 TYR A 41 0.215 0.851 10.207 1.00 0.00 C ATOM 561 CE2 TYR A 41 -0.240 -1.443 9.699 1.00 0.00 C ATOM 562 CZ TYR A 41 -0.072 -0.432 10.623 1.00 0.00 C ATOM 563 OH TYR A 41 -0.191 -0.706 11.966 1.00 0.00 O ATOM 0 H TYR A 41 -2.093 0.144 5.891 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.660 2.313 6.770 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.038 -0.471 5.862 1.00 0.00 H new ATOM 0 HB3 TYR A 41 1.343 0.646 6.206 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.559 2.127 8.535 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.248 -1.958 7.632 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.346 1.640 10.932 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.466 -2.447 10.027 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.459 -1.641 12.087 1.00 0.00 H new ATOM 573 N GLN A 42 -0.201 1.747 3.573 1.00 0.00 N ATOM 574 CA GLN A 42 0.354 2.307 2.346 1.00 0.00 C ATOM 575 C GLN A 42 -0.321 3.630 1.998 1.00 0.00 C ATOM 576 O GLN A 42 0.347 4.635 1.757 1.00 0.00 O ATOM 577 CB GLN A 42 0.192 1.318 1.190 1.00 0.00 C ATOM 578 CG GLN A 42 0.964 0.023 1.385 1.00 0.00 C ATOM 579 CD GLN A 42 1.329 -0.641 0.072 1.00 0.00 C ATOM 580 OE1 GLN A 42 1.551 0.030 -0.936 1.00 0.00 O ATOM 581 NE2 GLN A 42 1.395 -1.968 0.078 1.00 0.00 N ATOM 0 H GLN A 42 -0.803 0.936 3.432 1.00 0.00 H new ATOM 0 HA GLN A 42 1.416 2.493 2.509 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.866 1.086 1.067 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.523 1.793 0.267 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.874 0.228 1.949 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.366 -0.666 1.982 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.203 -2.484 0.937 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.638 -2.470 -0.776 1.00 0.00 H new ATOM 590 N HIS A 43 -1.650 3.621 1.971 1.00 0.00 N ATOM 591 CA HIS A 43 -2.416 4.821 1.652 1.00 0.00 C ATOM 592 C HIS A 43 -2.008 5.982 2.554 1.00 0.00 C ATOM 593 O HIS A 43 -1.600 7.039 2.074 1.00 0.00 O ATOM 594 CB HIS A 43 -3.914 4.549 1.798 1.00 0.00 C ATOM 595 CG HIS A 43 -4.524 3.895 0.597 1.00 0.00 C ATOM 596 ND1 HIS A 43 -5.370 4.554 -0.270 1.00 0.00 N ATOM 597 CD2 HIS A 43 -4.405 2.634 0.119 1.00 0.00 C ATOM 598 CE1 HIS A 43 -5.746 3.726 -1.228 1.00 0.00 C ATOM 599 NE2 HIS A 43 -5.174 2.555 -1.016 1.00 0.00 N ATOM 0 H HIS A 43 -2.219 2.797 2.166 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.203 5.094 0.619 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.076 3.914 2.669 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.429 5.490 1.990 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -3.815 1.838 0.550 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -6.409 3.966 -2.046 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -5.285 1.726 -1.600 1.00 0.00 H new ATOM 608 N ALA A 44 -2.121 5.777 3.862 1.00 0.00 N ATOM 609 CA ALA A 44 -1.762 6.806 4.830 1.00 0.00 C ATOM 610 C ALA A 44 -0.558 7.612 4.354 1.00 0.00 C ATOM 611 O ALA A 44 -0.598 8.842 4.314 1.00 0.00 O ATOM 612 CB ALA A 44 -1.477 6.178 6.186 1.00 0.00 C ATOM 0 H ALA A 44 -2.458 4.908 4.276 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.606 7.488 4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.210 6.958 6.899 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.365 5.653 6.538 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.651 5.473 6.094 1.00 0.00 H new ATOM 618 N VAL A 45 0.512 6.911 3.995 1.00 0.00 N ATOM 619 CA VAL A 45 1.728 7.562 3.521 1.00 0.00 C ATOM 620 C VAL A 45 1.473 8.330 2.229 1.00 0.00 C ATOM 621 O VAL A 45 1.787 9.515 2.129 1.00 0.00 O ATOM 622 CB VAL A 45 2.856 6.540 3.283 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.065 7.215 2.654 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.235 5.853 4.586 1.00 0.00 C ATOM 0 H VAL A 45 0.562 5.893 4.023 1.00 0.00 H new ATOM 0 HA VAL A 45 2.037 8.259 4.300 1.00 0.00 H new ATOM 0 HB VAL A 45 2.494 5.780 2.590 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.851 6.477 2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.780 7.655 1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.432 7.997 3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.033 5.134 4.400 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.578 6.598 5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.366 5.333 4.990 1.00 0.00 H new ATOM 634 N GLN A 46 0.900 7.646 1.244 1.00 0.00 N ATOM 635 CA GLN A 46 0.602 8.265 -0.042 1.00 0.00 C ATOM 636 C GLN A 46 0.050 9.675 0.146 1.00 0.00 C ATOM 637 O GLN A 46 0.540 10.630 -0.456 1.00 0.00 O ATOM 638 CB GLN A 46 -0.400 7.413 -0.823 1.00 0.00 C ATOM 639 CG GLN A 46 0.130 6.037 -1.193 1.00 0.00 C ATOM 640 CD GLN A 46 -0.836 5.253 -2.060 1.00 0.00 C ATOM 641 OE1 GLN A 46 -1.113 5.630 -3.199 1.00 0.00 O ATOM 642 NE2 GLN A 46 -1.356 4.156 -1.523 1.00 0.00 N ATOM 0 H GLN A 46 0.633 6.664 1.312 1.00 0.00 H new ATOM 0 HA GLN A 46 1.531 8.331 -0.608 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.306 7.296 -0.229 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.682 7.942 -1.734 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.078 6.147 -1.720 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.334 5.474 -0.283 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.098 3.881 -0.575 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.013 3.588 -2.058 1.00 0.00 H new ATOM 651 N TYR A 47 -0.972 9.797 0.986 1.00 0.00 N ATOM 652 CA TYR A 47 -1.592 11.089 1.252 1.00 0.00 C ATOM 653 C TYR A 47 -0.622 12.021 1.973 1.00 0.00 C ATOM 654 O TYR A 47 -0.402 13.156 1.548 1.00 0.00 O ATOM 655 CB TYR A 47 -2.859 10.908 2.090 1.00 0.00 C ATOM 656 CG TYR A 47 -3.988 10.234 1.342 1.00 0.00 C ATOM 657 CD1 TYR A 47 -4.906 10.979 0.612 1.00 0.00 C ATOM 658 CD2 TYR A 47 -4.136 8.853 1.366 1.00 0.00 C ATOM 659 CE1 TYR A 47 -5.939 10.368 -0.072 1.00 0.00 C ATOM 660 CE2 TYR A 47 -5.165 8.233 0.683 1.00 0.00 C ATOM 661 CZ TYR A 47 -6.064 8.995 -0.034 1.00 0.00 C ATOM 662 OH TYR A 47 -7.091 8.382 -0.714 1.00 0.00 O ATOM 0 H TYR A 47 -1.388 9.017 1.494 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.858 11.539 0.295 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.618 10.319 2.975 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.197 11.884 2.438 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.810 12.054 0.579 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.435 8.254 1.928 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.645 10.962 -0.633 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.265 7.158 0.710 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.036 7.412 -0.585 1.00 0.00 H new ATOM 672 N PHE A 48 -0.044 11.533 3.065 1.00 0.00 N ATOM 673 CA PHE A 48 0.902 12.321 3.846 1.00 0.00 C ATOM 674 C PHE A 48 1.896 13.037 2.936 1.00 0.00 C ATOM 675 O PHE A 48 2.130 14.238 3.076 1.00 0.00 O ATOM 676 CB PHE A 48 1.652 11.424 4.833 1.00 0.00 C ATOM 677 CG PHE A 48 0.887 11.151 6.096 1.00 0.00 C ATOM 678 CD1 PHE A 48 0.298 12.187 6.803 1.00 0.00 C ATOM 679 CD2 PHE A 48 0.757 9.858 6.578 1.00 0.00 C ATOM 680 CE1 PHE A 48 -0.408 11.939 7.965 1.00 0.00 C ATOM 681 CE2 PHE A 48 0.053 9.604 7.739 1.00 0.00 C ATOM 682 CZ PHE A 48 -0.529 10.646 8.434 1.00 0.00 C ATOM 0 H PHE A 48 -0.214 10.596 3.429 1.00 0.00 H new ATOM 0 HA PHE A 48 0.340 13.071 4.402 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.884 10.477 4.346 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.602 11.893 5.088 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.392 13.200 6.442 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.211 9.040 6.040 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.864 12.755 8.505 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.042 8.592 8.103 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.078 10.450 9.343 1.00 0.00 H new ATOM 692 N LEU A 49 2.477 12.291 2.003 1.00 0.00 N ATOM 693 CA LEU A 49 3.446 12.853 1.069 1.00 0.00 C ATOM 694 C LEU A 49 2.827 13.987 0.257 1.00 0.00 C ATOM 695 O LEU A 49 3.306 15.120 0.288 1.00 0.00 O ATOM 696 CB LEU A 49 3.969 11.765 0.129 1.00 0.00 C ATOM 697 CG LEU A 49 4.973 10.782 0.733 1.00 0.00 C ATOM 698 CD1 LEU A 49 5.232 9.628 -0.223 1.00 0.00 C ATOM 699 CD2 LEU A 49 6.273 11.493 1.078 1.00 0.00 C ATOM 0 H LEU A 49 2.294 11.296 1.873 1.00 0.00 H new ATOM 0 HA LEU A 49 4.277 13.256 1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.118 11.198 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.435 12.248 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 49 4.548 10.377 1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.949 8.939 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.298 9.102 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.635 10.014 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.976 10.779 1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.702 11.926 0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.074 12.284 1.801 1.00 0.00 H new ATOM 711 N HIS A 50 1.757 13.673 -0.466 1.00 0.00 N ATOM 712 CA HIS A 50 1.069 14.666 -1.284 1.00 0.00 C ATOM 713 C HIS A 50 0.985 16.005 -0.556 1.00 0.00 C ATOM 714 O HIS A 50 1.237 17.058 -1.142 1.00 0.00 O ATOM 715 CB HIS A 50 -0.335 14.178 -1.643 1.00 0.00 C ATOM 716 CG HIS A 50 -0.841 14.718 -2.945 1.00 0.00 C ATOM 717 ND1 HIS A 50 -0.085 14.735 -4.098 1.00 0.00 N ATOM 718 CD2 HIS A 50 -2.037 15.259 -3.274 1.00 0.00 C ATOM 719 CE1 HIS A 50 -0.793 15.266 -5.079 1.00 0.00 C ATOM 720 NE2 HIS A 50 -1.982 15.592 -4.605 1.00 0.00 N ATOM 0 H HIS A 50 1.348 12.740 -0.502 1.00 0.00 H new ATOM 0 HA HIS A 50 1.642 14.806 -2.201 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.332 13.089 -1.687 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.024 14.463 -0.848 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.879 15.402 -2.612 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -0.457 15.409 -6.095 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.737 16.021 -5.141 1.00 0.00 H new ATOM 729 N VAL A 51 0.628 15.956 0.723 1.00 0.00 N ATOM 730 CA VAL A 51 0.511 17.164 1.531 1.00 0.00 C ATOM 731 C VAL A 51 1.849 17.886 1.637 1.00 0.00 C ATOM 732 O VAL A 51 1.962 19.062 1.292 1.00 0.00 O ATOM 733 CB VAL A 51 -0.002 16.845 2.947 1.00 0.00 C ATOM 734 CG1 VAL A 51 -0.103 18.115 3.778 1.00 0.00 C ATOM 735 CG2 VAL A 51 -1.346 16.134 2.879 1.00 0.00 C ATOM 0 H VAL A 51 0.415 15.093 1.222 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.209 17.811 1.030 1.00 0.00 H new ATOM 0 HB VAL A 51 0.712 16.179 3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.467 17.869 4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.880 18.579 3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.795 18.809 3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.694 15.916 3.889 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.071 16.774 2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.237 15.202 2.324 1.00 0.00 H new ATOM 745 N VAL A 52 2.863 17.173 2.118 1.00 0.00 N ATOM 746 CA VAL A 52 4.196 17.744 2.269 1.00 0.00 C ATOM 747 C VAL A 52 4.778 18.147 0.918 1.00 0.00 C ATOM 748 O VAL A 52 5.781 18.857 0.849 1.00 0.00 O ATOM 749 CB VAL A 52 5.157 16.755 2.955 1.00 0.00 C ATOM 750 CG1 VAL A 52 6.580 17.291 2.935 1.00 0.00 C ATOM 751 CG2 VAL A 52 4.704 16.474 4.379 1.00 0.00 C ATOM 0 H VAL A 52 2.786 16.199 2.410 1.00 0.00 H new ATOM 0 HA VAL A 52 4.091 18.630 2.895 1.00 0.00 H new ATOM 0 HB VAL A 52 5.141 15.816 2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.244 16.578 3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.900 17.436 1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.617 18.244 3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.394 15.773 4.849 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.689 17.405 4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.703 16.042 4.364 1.00 0.00 H new ATOM 761 N LYS A 53 4.140 17.690 -0.154 1.00 0.00 N ATOM 762 CA LYS A 53 4.592 18.003 -1.505 1.00 0.00 C ATOM 763 C LYS A 53 4.204 19.427 -1.891 1.00 0.00 C ATOM 764 O LYS A 53 5.060 20.238 -2.248 1.00 0.00 O ATOM 765 CB LYS A 53 3.996 17.012 -2.507 1.00 0.00 C ATOM 766 CG LYS A 53 4.875 16.774 -3.723 1.00 0.00 C ATOM 767 CD LYS A 53 4.480 15.504 -4.457 1.00 0.00 C ATOM 768 CE LYS A 53 4.973 14.263 -3.728 1.00 0.00 C ATOM 769 NZ LYS A 53 6.373 13.919 -4.103 1.00 0.00 N ATOM 0 H LYS A 53 3.308 17.101 -0.114 1.00 0.00 H new ATOM 0 HA LYS A 53 5.679 17.922 -1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.821 16.061 -2.004 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.025 17.382 -2.837 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.799 17.625 -4.400 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.917 16.706 -3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.395 15.462 -4.556 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.892 15.522 -5.466 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.915 14.427 -2.652 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.318 13.422 -3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.672 13.068 -3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.424 13.738 -5.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.002 14.711 -3.860 1.00 0.00 H new ATOM 783 N TYR A 54 2.912 19.725 -1.817 1.00 0.00 N ATOM 784 CA TYR A 54 2.412 21.051 -2.160 1.00 0.00 C ATOM 785 C TYR A 54 1.634 21.657 -0.996 1.00 0.00 C ATOM 786 O TYR A 54 1.854 22.809 -0.623 1.00 0.00 O ATOM 787 CB TYR A 54 1.521 20.977 -3.401 1.00 0.00 C ATOM 788 CG TYR A 54 2.022 20.010 -4.450 1.00 0.00 C ATOM 789 CD1 TYR A 54 1.754 18.650 -4.354 1.00 0.00 C ATOM 790 CD2 TYR A 54 2.764 20.457 -5.536 1.00 0.00 C ATOM 791 CE1 TYR A 54 2.211 17.763 -5.310 1.00 0.00 C ATOM 792 CE2 TYR A 54 3.224 19.578 -6.498 1.00 0.00 C ATOM 793 CZ TYR A 54 2.945 18.232 -6.380 1.00 0.00 C ATOM 794 OH TYR A 54 3.402 17.353 -7.335 1.00 0.00 O ATOM 0 H TYR A 54 2.191 19.066 -1.522 1.00 0.00 H new ATOM 0 HA TYR A 54 3.268 21.691 -2.373 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.516 20.683 -3.099 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.444 21.971 -3.842 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.179 18.280 -3.518 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.985 21.510 -5.630 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.995 16.709 -5.220 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.798 19.942 -7.337 1.00 0.00 H new ATOM 0 HH TYR A 54 3.900 17.845 -8.021 1.00 0.00 H new ATOM 804 N GLU A 55 0.724 20.872 -0.428 1.00 0.00 N ATOM 805 CA GLU A 55 -0.088 21.332 0.693 1.00 0.00 C ATOM 806 C GLU A 55 0.666 21.175 2.010 1.00 0.00 C ATOM 807 O GLU A 55 0.080 20.829 3.035 1.00 0.00 O ATOM 808 CB GLU A 55 -1.405 20.555 0.750 1.00 0.00 C ATOM 809 CG GLU A 55 -2.072 20.386 -0.604 1.00 0.00 C ATOM 810 CD GLU A 55 -3.583 20.306 -0.505 1.00 0.00 C ATOM 811 OE1 GLU A 55 -4.184 21.193 0.136 1.00 0.00 O ATOM 812 OE2 GLU A 55 -4.164 19.355 -1.068 1.00 0.00 O ATOM 0 H GLU A 55 0.531 19.916 -0.725 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.305 22.389 0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.218 19.570 1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.092 21.070 1.422 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.798 21.223 -1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.695 19.481 -1.080 1.00 0.00 H new ATOM 819 N ALA A 56 1.969 21.432 1.973 1.00 0.00 N ATOM 820 CA ALA A 56 2.804 21.321 3.163 1.00 0.00 C ATOM 821 C ALA A 56 2.406 22.356 4.211 1.00 0.00 C ATOM 822 O ALA A 56 1.460 23.118 4.015 1.00 0.00 O ATOM 823 CB ALA A 56 4.272 21.477 2.795 1.00 0.00 C ATOM 0 H ALA A 56 2.470 21.719 1.132 1.00 0.00 H new ATOM 0 HA ALA A 56 2.652 20.331 3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.883 21.392 3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.555 20.697 2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.431 22.454 2.339 1.00 0.00 H new ATOM 829 N GLN A 57 3.135 22.376 5.322 1.00 0.00 N ATOM 830 CA GLN A 57 2.857 23.317 6.401 1.00 0.00 C ATOM 831 C GLN A 57 4.116 24.081 6.795 1.00 0.00 C ATOM 832 O GLN A 57 4.188 25.300 6.643 1.00 0.00 O ATOM 833 CB GLN A 57 2.292 22.580 7.616 1.00 0.00 C ATOM 834 CG GLN A 57 0.922 21.967 7.373 1.00 0.00 C ATOM 835 CD GLN A 57 1.002 20.591 6.743 1.00 0.00 C ATOM 836 OE1 GLN A 57 1.278 20.456 5.550 1.00 0.00 O ATOM 837 NE2 GLN A 57 0.760 19.558 7.542 1.00 0.00 N ATOM 0 H GLN A 57 3.922 21.752 5.499 1.00 0.00 H new ATOM 0 HA GLN A 57 2.117 24.033 6.043 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.987 21.792 7.908 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.227 23.274 8.454 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.386 21.898 8.320 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.343 22.626 6.726 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.535 19.715 8.524 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.799 18.608 7.173 1.00 0.00 H new ATOM 846 N GLY A 58 5.108 23.356 7.303 1.00 0.00 N ATOM 847 CA GLY A 58 6.351 23.983 7.712 1.00 0.00 C ATOM 848 C GLY A 58 7.440 22.972 8.009 1.00 0.00 C ATOM 849 O GLY A 58 7.155 21.828 8.363 1.00 0.00 O ATOM 0 H GLY A 58 5.073 22.346 7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.690 24.657 6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.173 24.591 8.599 1.00 0.00 H new ATOM 853 N ASP A 59 8.692 23.392 7.862 1.00 0.00 N ATOM 854 CA ASP A 59 9.828 22.514 8.116 1.00 0.00 C ATOM 855 C ASP A 59 9.569 21.627 9.330 1.00 0.00 C ATOM 856 O ASP A 59 9.939 20.453 9.344 1.00 0.00 O ATOM 857 CB ASP A 59 11.098 23.339 8.333 1.00 0.00 C ATOM 858 CG ASP A 59 12.298 22.476 8.671 1.00 0.00 C ATOM 859 OD1 ASP A 59 12.431 21.386 8.076 1.00 0.00 O ATOM 860 OD2 ASP A 59 13.103 22.889 9.532 1.00 0.00 O ATOM 0 H ASP A 59 8.946 24.335 7.568 1.00 0.00 H new ATOM 0 HA ASP A 59 9.964 21.874 7.244 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.311 23.916 7.433 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.930 24.054 9.138 1.00 0.00 H new ATOM 865 N LYS A 60 8.932 22.197 10.347 1.00 0.00 N ATOM 866 CA LYS A 60 8.622 21.459 11.566 1.00 0.00 C ATOM 867 C LYS A 60 7.577 20.381 11.299 1.00 0.00 C ATOM 868 O LYS A 60 7.706 19.249 11.764 1.00 0.00 O ATOM 869 CB LYS A 60 8.120 22.414 12.651 1.00 0.00 C ATOM 870 CG LYS A 60 7.673 21.710 13.921 1.00 0.00 C ATOM 871 CD LYS A 60 7.177 22.700 14.962 1.00 0.00 C ATOM 872 CE LYS A 60 6.484 21.994 16.117 1.00 0.00 C ATOM 873 NZ LYS A 60 6.143 22.936 17.218 1.00 0.00 N ATOM 0 H LYS A 60 8.620 23.168 10.351 1.00 0.00 H new ATOM 0 HA LYS A 60 9.536 20.976 11.911 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.913 23.120 12.897 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.287 22.995 12.255 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.880 21.001 13.685 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.503 21.135 14.331 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.017 23.282 15.341 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.486 23.403 14.497 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.575 21.513 15.756 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.131 21.205 16.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.672 22.416 17.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.013 23.376 17.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.505 23.674 16.858 1.00 0.00 H new ATOM 887 N ALA A 61 6.543 20.740 10.545 1.00 0.00 N ATOM 888 CA ALA A 61 5.478 19.802 10.213 1.00 0.00 C ATOM 889 C ALA A 61 5.973 18.725 9.253 1.00 0.00 C ATOM 890 O ALA A 61 5.805 17.531 9.503 1.00 0.00 O ATOM 891 CB ALA A 61 4.292 20.541 9.612 1.00 0.00 C ATOM 0 H ALA A 61 6.420 21.674 10.153 1.00 0.00 H new ATOM 0 HA ALA A 61 5.160 19.313 11.134 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.504 19.828 9.369 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.914 21.268 10.331 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.607 21.057 8.705 1.00 0.00 H new ATOM 897 N LYS A 62 6.585 19.154 8.155 1.00 0.00 N ATOM 898 CA LYS A 62 7.106 18.228 7.157 1.00 0.00 C ATOM 899 C LYS A 62 7.741 17.011 7.823 1.00 0.00 C ATOM 900 O LYS A 62 7.319 15.878 7.596 1.00 0.00 O ATOM 901 CB LYS A 62 8.134 18.929 6.267 1.00 0.00 C ATOM 902 CG LYS A 62 7.515 19.711 5.121 1.00 0.00 C ATOM 903 CD LYS A 62 7.186 21.137 5.533 1.00 0.00 C ATOM 904 CE LYS A 62 7.216 22.082 4.342 1.00 0.00 C ATOM 905 NZ LYS A 62 8.583 22.616 4.092 1.00 0.00 N ATOM 0 H LYS A 62 6.733 20.139 7.933 1.00 0.00 H new ATOM 0 HA LYS A 62 6.272 17.890 6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.729 19.607 6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.818 18.184 5.860 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.203 19.725 4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.607 19.210 4.785 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.200 21.165 5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.900 21.474 6.284 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.863 21.558 3.454 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.529 22.910 4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.561 23.256 3.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.911 23.138 4.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.234 21.828 3.899 1.00 0.00 H new ATOM 919 N GLN A 63 8.756 17.255 8.646 1.00 0.00 N ATOM 920 CA GLN A 63 9.447 16.179 9.345 1.00 0.00 C ATOM 921 C GLN A 63 8.468 15.344 10.164 1.00 0.00 C ATOM 922 O GLN A 63 8.443 14.118 10.059 1.00 0.00 O ATOM 923 CB GLN A 63 10.535 16.750 10.257 1.00 0.00 C ATOM 924 CG GLN A 63 11.672 17.418 9.501 1.00 0.00 C ATOM 925 CD GLN A 63 12.632 18.150 10.419 1.00 0.00 C ATOM 926 OE1 GLN A 63 13.282 17.541 11.269 1.00 0.00 O ATOM 927 NE2 GLN A 63 12.726 19.464 10.252 1.00 0.00 N ATOM 0 H GLN A 63 9.117 18.188 8.845 1.00 0.00 H new ATOM 0 HA GLN A 63 9.910 15.534 8.598 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.085 17.475 10.936 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.941 15.947 10.872 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.220 16.664 8.935 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.259 18.121 8.778 1.00 0.00 H new ATOM 0 HE21 GLN A 63 12.168 19.928 9.535 1.00 0.00 H new ATOM 0 HE22 GLN A 63 13.356 20.009 10.841 1.00 0.00 H new ATOM 936 N SER A 64 7.663 16.017 10.980 1.00 0.00 N ATOM 937 CA SER A 64 6.684 15.337 11.820 1.00 0.00 C ATOM 938 C SER A 64 5.920 14.286 11.022 1.00 0.00 C ATOM 939 O SER A 64 5.723 13.161 11.484 1.00 0.00 O ATOM 940 CB SER A 64 5.706 16.348 12.421 1.00 0.00 C ATOM 941 OG SER A 64 6.182 16.844 13.661 1.00 0.00 O ATOM 0 H SER A 64 7.669 17.032 11.077 1.00 0.00 H new ATOM 0 HA SER A 64 7.220 14.837 12.627 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.561 17.175 11.726 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.733 15.877 12.563 1.00 0.00 H new ATOM 0 HG SER A 64 5.540 17.489 14.023 1.00 0.00 H new ATOM 947 N ILE A 65 5.491 14.660 9.821 1.00 0.00 N ATOM 948 CA ILE A 65 4.749 13.750 8.957 1.00 0.00 C ATOM 949 C ILE A 65 5.669 12.697 8.349 1.00 0.00 C ATOM 950 O ILE A 65 5.392 11.500 8.421 1.00 0.00 O ATOM 951 CB ILE A 65 4.034 14.508 7.823 1.00 0.00 C ATOM 952 CG1 ILE A 65 3.000 15.477 8.400 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.373 13.528 6.866 1.00 0.00 C ATOM 954 CD1 ILE A 65 2.602 16.577 7.442 1.00 0.00 C ATOM 0 H ILE A 65 5.645 15.587 9.424 1.00 0.00 H new ATOM 0 HA ILE A 65 4.003 13.260 9.582 1.00 0.00 H new ATOM 0 HB ILE A 65 4.774 15.085 7.268 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.110 14.917 8.687 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.402 15.925 9.309 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.872 14.079 6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.131 12.874 6.434 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.642 12.927 7.408 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.867 17.226 7.918 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.482 17.162 7.174 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.170 16.138 6.543 1.00 0.00 H new ATOM 966 N ARG A 66 6.766 13.152 7.751 1.00 0.00 N ATOM 967 CA ARG A 66 7.727 12.249 7.130 1.00 0.00 C ATOM 968 C ARG A 66 8.072 11.094 8.067 1.00 0.00 C ATOM 969 O ARG A 66 8.026 9.929 7.674 1.00 0.00 O ATOM 970 CB ARG A 66 9.000 13.008 6.750 1.00 0.00 C ATOM 971 CG ARG A 66 8.861 13.830 5.479 1.00 0.00 C ATOM 972 CD ARG A 66 9.920 14.920 5.403 1.00 0.00 C ATOM 973 NE ARG A 66 9.598 15.925 4.394 1.00 0.00 N ATOM 974 CZ ARG A 66 10.280 17.054 4.238 1.00 0.00 C ATOM 975 NH1 ARG A 66 11.317 17.320 5.021 1.00 0.00 N ATOM 976 NH2 ARG A 66 9.927 17.920 3.297 1.00 0.00 N ATOM 0 H ARG A 66 7.011 14.140 7.684 1.00 0.00 H new ATOM 0 HA ARG A 66 7.273 11.840 6.228 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.278 13.668 7.571 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.815 12.295 6.624 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.946 13.177 4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.869 14.281 5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.016 15.401 6.376 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.886 14.471 5.173 1.00 0.00 H new ATOM 0 HE ARG A 66 8.806 15.751 3.775 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.593 16.657 5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.839 18.188 4.899 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.131 17.719 2.692 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.452 18.787 3.179 1.00 0.00 H new ATOM 990 N ALA A 67 8.417 11.427 9.306 1.00 0.00 N ATOM 991 CA ALA A 67 8.768 10.419 10.298 1.00 0.00 C ATOM 992 C ALA A 67 7.739 9.293 10.325 1.00 0.00 C ATOM 993 O ALA A 67 8.091 8.118 10.430 1.00 0.00 O ATOM 994 CB ALA A 67 8.894 11.054 11.675 1.00 0.00 C ATOM 0 H ALA A 67 8.461 12.387 9.647 1.00 0.00 H new ATOM 0 HA ALA A 67 9.730 9.990 10.018 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.157 10.289 12.406 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.672 11.818 11.654 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.944 11.511 11.953 1.00 0.00 H new ATOM 1000 N LYS A 68 6.466 9.660 10.230 1.00 0.00 N ATOM 1001 CA LYS A 68 5.384 8.682 10.242 1.00 0.00 C ATOM 1002 C LYS A 68 5.404 7.834 8.975 1.00 0.00 C ATOM 1003 O LYS A 68 5.190 6.622 9.025 1.00 0.00 O ATOM 1004 CB LYS A 68 4.033 9.387 10.376 1.00 0.00 C ATOM 1005 CG LYS A 68 3.988 10.407 11.501 1.00 0.00 C ATOM 1006 CD LYS A 68 3.550 9.774 12.811 1.00 0.00 C ATOM 1007 CE LYS A 68 4.662 8.937 13.424 1.00 0.00 C ATOM 1008 NZ LYS A 68 4.511 8.809 14.900 1.00 0.00 N ATOM 0 H LYS A 68 6.158 10.628 10.144 1.00 0.00 H new ATOM 0 HA LYS A 68 5.530 8.026 11.100 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.798 9.885 9.436 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.258 8.639 10.543 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.973 10.857 11.625 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.301 11.211 11.237 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.252 10.554 13.512 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.674 9.148 12.639 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.662 7.945 12.972 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.626 9.391 13.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.288 8.232 15.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.537 9.753 15.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.602 8.352 15.118 1.00 0.00 H new ATOM 1022 N CYS A 69 5.662 8.477 7.842 1.00 0.00 N ATOM 1023 CA CYS A 69 5.710 7.780 6.561 1.00 0.00 C ATOM 1024 C CYS A 69 6.715 6.633 6.603 1.00 0.00 C ATOM 1025 O CYS A 69 6.419 5.518 6.174 1.00 0.00 O ATOM 1026 CB CYS A 69 6.077 8.755 5.441 1.00 0.00 C ATOM 1027 SG CYS A 69 4.713 9.816 4.909 1.00 0.00 S ATOM 0 H CYS A 69 5.841 9.479 7.784 1.00 0.00 H new ATOM 0 HA CYS A 69 4.722 7.365 6.363 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.902 9.383 5.777 1.00 0.00 H new ATOM 0 HB3 CYS A 69 6.437 8.187 4.583 1.00 0.00 H new ATOM 0 HG CYS A 69 5.122 10.606 3.961 1.00 0.00 H new ATOM 1033 N THR A 70 7.906 6.915 7.122 1.00 0.00 N ATOM 1034 CA THR A 70 8.956 5.909 7.217 1.00 0.00 C ATOM 1035 C THR A 70 8.560 4.792 8.176 1.00 0.00 C ATOM 1036 O THR A 70 8.767 3.613 7.889 1.00 0.00 O ATOM 1037 CB THR A 70 10.286 6.527 7.688 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.754 7.475 6.722 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.338 5.450 7.899 1.00 0.00 C ATOM 0 H THR A 70 8.167 7.832 7.483 1.00 0.00 H new ATOM 0 HA THR A 70 9.090 5.496 6.217 1.00 0.00 H new ATOM 0 HB THR A 70 10.111 7.032 8.638 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.599 7.865 7.029 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.268 5.910 8.231 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.991 4.746 8.655 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.510 4.921 6.962 1.00 0.00 H new ATOM 1047 N GLU A 71 7.990 5.170 9.316 1.00 0.00 N ATOM 1048 CA GLU A 71 7.566 4.198 10.317 1.00 0.00 C ATOM 1049 C GLU A 71 6.511 3.255 9.747 1.00 0.00 C ATOM 1050 O GLU A 71 6.678 2.036 9.765 1.00 0.00 O ATOM 1051 CB GLU A 71 7.014 4.913 11.552 1.00 0.00 C ATOM 1052 CG GLU A 71 6.442 3.969 12.596 1.00 0.00 C ATOM 1053 CD GLU A 71 7.375 2.818 12.916 1.00 0.00 C ATOM 1054 OE1 GLU A 71 8.606 3.029 12.892 1.00 0.00 O ATOM 1055 OE2 GLU A 71 6.875 1.707 13.189 1.00 0.00 O ATOM 0 H GLU A 71 7.811 6.142 9.569 1.00 0.00 H new ATOM 0 HA GLU A 71 8.436 3.609 10.606 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.810 5.504 12.006 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.237 5.611 11.241 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.233 4.527 13.509 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.491 3.573 12.240 1.00 0.00 H new ATOM 1062 N TYR A 72 5.424 3.829 9.243 1.00 0.00 N ATOM 1063 CA TYR A 72 4.339 3.041 8.670 1.00 0.00 C ATOM 1064 C TYR A 72 4.836 2.203 7.496 1.00 0.00 C ATOM 1065 O TYR A 72 4.456 1.041 7.342 1.00 0.00 O ATOM 1066 CB TYR A 72 3.202 3.956 8.213 1.00 0.00 C ATOM 1067 CG TYR A 72 2.664 4.847 9.310 1.00 0.00 C ATOM 1068 CD1 TYR A 72 2.682 4.436 10.637 1.00 0.00 C ATOM 1069 CD2 TYR A 72 2.136 6.098 9.019 1.00 0.00 C ATOM 1070 CE1 TYR A 72 2.191 5.246 11.643 1.00 0.00 C ATOM 1071 CE2 TYR A 72 1.644 6.916 10.018 1.00 0.00 C ATOM 1072 CZ TYR A 72 1.674 6.485 11.328 1.00 0.00 C ATOM 1073 OH TYR A 72 1.183 7.296 12.326 1.00 0.00 O ATOM 0 H TYR A 72 5.271 4.837 9.220 1.00 0.00 H new ATOM 0 HA TYR A 72 3.966 2.368 9.442 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.556 4.579 7.391 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.389 3.344 7.822 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.087 3.466 10.887 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.109 6.437 7.994 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.212 4.911 12.669 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.238 7.887 9.775 1.00 0.00 H new ATOM 0 HH TYR A 72 0.857 8.134 11.936 1.00 0.00 H new ATOM 1083 N LEU A 73 5.688 2.800 6.670 1.00 0.00 N ATOM 1084 CA LEU A 73 6.238 2.110 5.508 1.00 0.00 C ATOM 1085 C LEU A 73 6.989 0.851 5.929 1.00 0.00 C ATOM 1086 O LEU A 73 6.823 -0.212 5.330 1.00 0.00 O ATOM 1087 CB LEU A 73 7.173 3.041 4.734 1.00 0.00 C ATOM 1088 CG LEU A 73 6.498 4.039 3.793 1.00 0.00 C ATOM 1089 CD1 LEU A 73 7.445 5.181 3.458 1.00 0.00 C ATOM 1090 CD2 LEU A 73 6.031 3.342 2.523 1.00 0.00 C ATOM 0 H LEU A 73 6.013 3.760 6.783 1.00 0.00 H new ATOM 0 HA LEU A 73 5.410 1.818 4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.774 3.599 5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.861 2.429 4.150 1.00 0.00 H new ATOM 0 HG LEU A 73 5.626 4.453 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.947 5.881 2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.731 5.697 4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.336 4.784 2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.553 4.067 1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.888 2.900 2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.317 2.559 2.779 1.00 0.00 H new ATOM 1102 N ASP A 74 7.814 0.978 6.963 1.00 0.00 N ATOM 1103 CA ASP A 74 8.588 -0.151 7.466 1.00 0.00 C ATOM 1104 C ASP A 74 7.670 -1.236 8.020 1.00 0.00 C ATOM 1105 O ASP A 74 7.829 -2.416 7.708 1.00 0.00 O ATOM 1106 CB ASP A 74 9.561 0.314 8.551 1.00 0.00 C ATOM 1107 CG ASP A 74 10.790 -0.570 8.643 1.00 0.00 C ATOM 1108 OD1 ASP A 74 11.768 -0.305 7.912 1.00 0.00 O ATOM 1109 OD2 ASP A 74 10.774 -1.525 9.447 1.00 0.00 O ATOM 0 H ASP A 74 7.964 1.851 7.469 1.00 0.00 H new ATOM 0 HA ASP A 74 9.155 -0.570 6.635 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.869 1.339 8.344 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.050 0.323 9.514 1.00 0.00 H new ATOM 1114 N ARG A 75 6.710 -0.828 8.844 1.00 0.00 N ATOM 1115 CA ARG A 75 5.768 -1.766 9.443 1.00 0.00 C ATOM 1116 C ARG A 75 5.094 -2.618 8.372 1.00 0.00 C ATOM 1117 O ARG A 75 5.084 -3.846 8.457 1.00 0.00 O ATOM 1118 CB ARG A 75 4.710 -1.012 10.251 1.00 0.00 C ATOM 1119 CG ARG A 75 3.564 -1.892 10.723 1.00 0.00 C ATOM 1120 CD ARG A 75 4.066 -3.066 11.549 1.00 0.00 C ATOM 1121 NE ARG A 75 3.047 -3.564 12.469 1.00 0.00 N ATOM 1122 CZ ARG A 75 2.811 -3.031 13.662 1.00 0.00 C ATOM 1123 NH1 ARG A 75 3.517 -1.989 14.078 1.00 0.00 N ATOM 1124 NH2 ARG A 75 1.866 -3.540 14.442 1.00 0.00 N ATOM 0 H ARG A 75 6.564 0.145 9.112 1.00 0.00 H new ATOM 0 HA ARG A 75 6.324 -2.425 10.110 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.186 -0.553 11.118 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.308 -0.202 9.642 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.869 -1.299 11.317 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.010 -2.263 9.861 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.377 -3.871 10.883 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.947 -2.761 12.114 1.00 0.00 H new ATOM 0 HE ARG A 75 2.486 -4.365 12.179 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.244 -1.594 13.481 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.333 -1.582 14.995 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.320 -4.341 14.125 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.685 -3.130 15.358 1.00 0.00 H new ATOM 1138 N ALA A 76 4.531 -1.958 7.365 1.00 0.00 N ATOM 1139 CA ALA A 76 3.856 -2.655 6.277 1.00 0.00 C ATOM 1140 C ALA A 76 4.776 -3.684 5.631 1.00 0.00 C ATOM 1141 O ALA A 76 4.406 -4.847 5.472 1.00 0.00 O ATOM 1142 CB ALA A 76 3.362 -1.659 5.239 1.00 0.00 C ATOM 0 H ALA A 76 4.529 -0.942 7.280 1.00 0.00 H new ATOM 0 HA ALA A 76 2.999 -3.184 6.693 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.860 -2.193 4.432 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.663 -0.965 5.705 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.209 -1.104 4.835 1.00 0.00 H new ATOM 1148 N GLU A 77 5.975 -3.249 5.258 1.00 0.00 N ATOM 1149 CA GLU A 77 6.947 -4.134 4.627 1.00 0.00 C ATOM 1150 C GLU A 77 6.924 -5.516 5.273 1.00 0.00 C ATOM 1151 O GLU A 77 7.030 -6.536 4.591 1.00 0.00 O ATOM 1152 CB GLU A 77 8.352 -3.537 4.724 1.00 0.00 C ATOM 1153 CG GLU A 77 8.599 -2.400 3.746 1.00 0.00 C ATOM 1154 CD GLU A 77 8.601 -2.863 2.302 1.00 0.00 C ATOM 1155 OE1 GLU A 77 7.503 -3.066 1.743 1.00 0.00 O ATOM 1156 OE2 GLU A 77 9.701 -3.021 1.732 1.00 0.00 O ATOM 0 H GLU A 77 6.297 -2.289 5.382 1.00 0.00 H new ATOM 0 HA GLU A 77 6.676 -4.238 3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.514 -3.174 5.739 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.085 -4.324 4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.831 -1.638 3.878 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.556 -1.931 3.974 1.00 0.00 H new ATOM 1163 N LYS A 78 6.785 -5.543 6.594 1.00 0.00 N ATOM 1164 CA LYS A 78 6.747 -6.798 7.335 1.00 0.00 C ATOM 1165 C LYS A 78 5.476 -7.579 7.017 1.00 0.00 C ATOM 1166 O LYS A 78 5.534 -8.726 6.570 1.00 0.00 O ATOM 1167 CB LYS A 78 6.830 -6.530 8.839 1.00 0.00 C ATOM 1168 CG LYS A 78 8.224 -6.158 9.314 1.00 0.00 C ATOM 1169 CD LYS A 78 9.038 -7.391 9.672 1.00 0.00 C ATOM 1170 CE LYS A 78 10.326 -7.019 10.390 1.00 0.00 C ATOM 1171 NZ LYS A 78 10.062 -6.424 11.730 1.00 0.00 N ATOM 0 H LYS A 78 6.697 -4.709 7.174 1.00 0.00 H new ATOM 0 HA LYS A 78 7.606 -7.396 7.031 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.141 -5.725 9.095 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.497 -7.418 9.377 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.737 -5.596 8.534 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.151 -5.504 10.183 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.444 -8.049 10.306 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.273 -7.949 8.766 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.948 -7.907 10.503 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.889 -6.310 9.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.928 -6.465 12.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.767 -5.433 11.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.306 -6.958 12.204 1.00 0.00 H new ATOM 1185 N LEU A 79 4.328 -6.952 7.249 1.00 0.00 N ATOM 1186 CA LEU A 79 3.042 -7.588 6.985 1.00 0.00 C ATOM 1187 C LEU A 79 3.063 -8.328 5.652 1.00 0.00 C ATOM 1188 O LEU A 79 2.389 -9.344 5.482 1.00 0.00 O ATOM 1189 CB LEU A 79 1.924 -6.543 6.984 1.00 0.00 C ATOM 1190 CG LEU A 79 1.707 -5.792 8.298 1.00 0.00 C ATOM 1191 CD1 LEU A 79 0.875 -4.539 8.066 1.00 0.00 C ATOM 1192 CD2 LEU A 79 1.038 -6.695 9.324 1.00 0.00 C ATOM 0 H LEU A 79 4.261 -6.004 7.619 1.00 0.00 H new ATOM 0 HA LEU A 79 2.854 -8.312 7.778 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.136 -5.813 6.202 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.991 -7.038 6.713 1.00 0.00 H new ATOM 0 HG LEU A 79 2.680 -5.491 8.687 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.731 -4.018 9.012 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.392 -3.883 7.365 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.095 -4.817 7.654 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.891 -6.144 10.253 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.072 -7.026 8.942 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.671 -7.562 9.513 1.00 0.00 H new ATOM 1204 N LYS A 80 3.842 -7.812 4.707 1.00 0.00 N ATOM 1205 CA LYS A 80 3.956 -8.425 3.389 1.00 0.00 C ATOM 1206 C LYS A 80 4.680 -9.765 3.472 1.00 0.00 C ATOM 1207 O LYS A 80 4.238 -10.756 2.892 1.00 0.00 O ATOM 1208 CB LYS A 80 4.698 -7.490 2.432 1.00 0.00 C ATOM 1209 CG LYS A 80 4.022 -6.142 2.251 1.00 0.00 C ATOM 1210 CD LYS A 80 4.775 -5.268 1.262 1.00 0.00 C ATOM 1211 CE LYS A 80 4.467 -3.794 1.473 1.00 0.00 C ATOM 1212 NZ LYS A 80 4.908 -2.964 0.318 1.00 0.00 N ATOM 0 H LYS A 80 4.404 -6.970 4.830 1.00 0.00 H new ATOM 0 HA LYS A 80 2.949 -8.600 3.009 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.710 -7.332 2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.788 -7.975 1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.000 -6.291 1.902 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.959 -5.633 3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.847 -5.436 1.369 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.508 -5.555 0.245 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.395 -3.665 1.625 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.961 -3.446 2.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.341 -2.093 0.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.912 -2.719 0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.779 -3.500 -0.564 1.00 0.00 H new ATOM 1226 N GLU A 81 5.793 -9.787 4.198 1.00 0.00 N ATOM 1227 CA GLU A 81 6.577 -11.006 4.357 1.00 0.00 C ATOM 1228 C GLU A 81 5.767 -12.084 5.071 1.00 0.00 C ATOM 1229 O GLU A 81 5.985 -13.278 4.865 1.00 0.00 O ATOM 1230 CB GLU A 81 7.861 -10.716 5.137 1.00 0.00 C ATOM 1231 CG GLU A 81 8.581 -9.459 4.678 1.00 0.00 C ATOM 1232 CD GLU A 81 10.072 -9.510 4.947 1.00 0.00 C ATOM 1233 OE1 GLU A 81 10.811 -10.046 4.094 1.00 0.00 O ATOM 1234 OE2 GLU A 81 10.501 -9.015 6.010 1.00 0.00 O ATOM 0 H GLU A 81 6.172 -8.975 4.685 1.00 0.00 H new ATOM 0 HA GLU A 81 6.839 -11.371 3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.619 -10.620 6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.535 -11.567 5.040 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.413 -9.318 3.610 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.153 -8.594 5.185 1.00 0.00 H new ATOM 1241 N TYR A 82 4.833 -11.654 5.912 1.00 0.00 N ATOM 1242 CA TYR A 82 3.993 -12.582 6.660 1.00 0.00 C ATOM 1243 C TYR A 82 2.815 -13.054 5.813 1.00 0.00 C ATOM 1244 O TYR A 82 2.482 -14.240 5.797 1.00 0.00 O ATOM 1245 CB TYR A 82 3.481 -11.920 7.940 1.00 0.00 C ATOM 1246 CG TYR A 82 2.158 -12.473 8.421 1.00 0.00 C ATOM 1247 CD1 TYR A 82 2.109 -13.585 9.253 1.00 0.00 C ATOM 1248 CD2 TYR A 82 0.958 -11.884 8.042 1.00 0.00 C ATOM 1249 CE1 TYR A 82 0.903 -14.094 9.693 1.00 0.00 C ATOM 1250 CE2 TYR A 82 -0.253 -12.386 8.480 1.00 0.00 C ATOM 1251 CZ TYR A 82 -0.275 -13.491 9.305 1.00 0.00 C ATOM 1252 OH TYR A 82 -1.479 -13.994 9.741 1.00 0.00 O ATOM 0 H TYR A 82 4.639 -10.669 6.093 1.00 0.00 H new ATOM 0 HA TYR A 82 4.599 -13.449 6.924 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.225 -12.046 8.727 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.376 -10.849 7.768 1.00 0.00 H new ATOM 0 HD1 TYR A 82 3.029 -14.059 9.561 1.00 0.00 H new ATOM 0 HD2 TYR A 82 0.972 -11.020 7.395 1.00 0.00 H new ATOM 0 HE1 TYR A 82 0.882 -14.960 10.338 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -1.177 -11.916 8.178 1.00 0.00 H new ATOM 0 HH TYR A 82 -2.211 -13.453 9.377 1.00 0.00 H new ATOM 1262 N LEU A 83 2.189 -12.118 5.108 1.00 0.00 N ATOM 1263 CA LEU A 83 1.048 -12.437 4.257 1.00 0.00 C ATOM 1264 C LEU A 83 1.447 -13.414 3.155 1.00 0.00 C ATOM 1265 O LEU A 83 0.661 -14.275 2.759 1.00 0.00 O ATOM 1266 CB LEU A 83 0.475 -11.160 3.639 1.00 0.00 C ATOM 1267 CG LEU A 83 -0.292 -10.240 4.590 1.00 0.00 C ATOM 1268 CD1 LEU A 83 -0.360 -8.829 4.029 1.00 0.00 C ATOM 1269 CD2 LEU A 83 -1.691 -10.783 4.845 1.00 0.00 C ATOM 0 H LEU A 83 2.452 -11.133 5.109 1.00 0.00 H new ATOM 0 HA LEU A 83 0.285 -12.908 4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.296 -10.593 3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.190 -11.442 2.823 1.00 0.00 H new ATOM 0 HG LEU A 83 0.241 -10.205 5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.909 -8.189 4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.650 -8.440 3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.869 -8.845 3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.222 -10.116 5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.233 -10.848 3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.621 -11.774 5.292 1.00 0.00 H new ATOM 1281 N LYS A 84 2.674 -13.275 2.665 1.00 0.00 N ATOM 1282 CA LYS A 84 3.180 -14.146 1.611 1.00 0.00 C ATOM 1283 C LYS A 84 3.587 -15.504 2.176 1.00 0.00 C ATOM 1284 O LYS A 84 3.500 -16.522 1.491 1.00 0.00 O ATOM 1285 CB LYS A 84 4.375 -13.495 0.912 1.00 0.00 C ATOM 1286 CG LYS A 84 5.606 -13.377 1.794 1.00 0.00 C ATOM 1287 CD LYS A 84 6.860 -13.127 0.973 1.00 0.00 C ATOM 1288 CE LYS A 84 6.918 -11.695 0.465 1.00 0.00 C ATOM 1289 NZ LYS A 84 8.284 -11.325 0.002 1.00 0.00 N ATOM 0 H LYS A 84 3.337 -12.567 2.981 1.00 0.00 H new ATOM 0 HA LYS A 84 2.381 -14.298 0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.628 -14.077 0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.087 -12.501 0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.468 -12.563 2.506 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.727 -14.291 2.375 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.741 -13.335 1.580 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.886 -13.815 0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.211 -11.572 -0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.607 -11.015 1.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.281 -10.342 -0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.955 -11.418 0.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.571 -11.957 -0.773 1.00 0.00 H new