USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 835 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 51 HIS : no HE2:sc= -1.21 K(o=-3.1,f=-7.2!) USER MOD Set 1.2: A 56 HIS : no HD1:sc= -1.84 K(o=-3.1,f=-4.6!) USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 15 GLN :FLIP amide:sc= -1.22 F(o=-9.8,f=-4.8) USER MOD Set 3.2: A 39 GLN : amide:sc= -3.61! C(o=-4.8!,f=-9.8!) USER MOD Single : A 23 MET CE :methyl -152:sc= -0.196 (180deg=-1.24!) USER MOD Single : A 25 MET CE :methyl -176:sc= -0.173 (180deg=-0.289) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 146:sc= -1.76 USER MOD Single : A 41 ASN : amide:sc= -0.0411 K(o=-0.041,f=-2!) USER MOD Single : A 43 GLN :FLIP amide:sc= -1.4! C(o=-5.1!,f=-1.4!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.308 F(o=-1,f=-0.31) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0108 K(o=-0.011,f=-1.6!) USER MOD Single : A 58 GLN :FLIP amide:sc= -4.03! C(o=-6.2!,f=-4!) USER MOD Single : A 64 ASN : amide:sc= -0.411! C(o=-0.41!,f=-13!) USER MOD Single : A 65 SER OG : rot 180:sc=-0.000768 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.837 USER MOD Single : A 71 GLN : amide:sc= -10! C(o=-10!,f=-14!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN :FLIP amide:sc= -4.7 F(o=-6.5!,f=-4.7) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 108 HIS :FLIP no HD1:sc= -0.14 F(o=-0.74,f=-0.14) USER MOD Single : A 111 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.255) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.627 X(o=-0.63,f=-0.5) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -0.618 K(o=-0.62,f=-1.4) USER MOD Single : A 124 SER OG : rot -58:sc= 0.225 USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 9 -1.225 2.034 15.589 1.00 1.00 N ATOM 108 CA PRO A 9 -0.171 2.806 14.857 1.00 1.00 C ATOM 109 C PRO A 9 -0.771 3.731 13.797 1.00 1.00 C ATOM 110 O PRO A 9 -0.237 4.807 13.524 1.00 1.00 O ATOM 111 CB PRO A 9 0.701 1.711 14.215 1.00 1.00 C ATOM 112 CG PRO A 9 -0.184 0.508 14.130 1.00 1.00 C ATOM 113 CD PRO A 9 -1.112 0.588 15.338 1.00 1.00 C ATOM 0 HA PRO A 9 0.392 3.466 15.517 1.00 1.00 H new ATOM 0 HB2 PRO A 9 1.051 2.014 13.228 1.00 1.00 H new ATOM 0 HB3 PRO A 9 1.586 1.508 14.818 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -0.752 0.506 13.200 1.00 1.00 H new ATOM 0 HG3 PRO A 9 0.402 -0.411 14.148 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -2.083 0.140 15.128 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -0.697 0.062 16.198 1.00 1.00 H new ATOM 121 N LEU A 10 -1.878 3.299 13.207 1.00 1.00 N ATOM 122 CA LEU A 10 -2.541 4.091 12.179 1.00 1.00 C ATOM 123 C LEU A 10 -3.185 5.334 12.806 1.00 1.00 C ATOM 124 O LEU A 10 -3.822 5.231 13.854 1.00 1.00 O ATOM 125 CB LEU A 10 -3.623 3.244 11.494 1.00 1.00 C ATOM 126 CG LEU A 10 -2.988 2.014 10.816 1.00 1.00 C ATOM 127 CD1 LEU A 10 -4.037 0.911 10.655 1.00 1.00 C ATOM 128 CD2 LEU A 10 -2.452 2.391 9.429 1.00 1.00 C ATOM 0 H LEU A 10 -2.333 2.411 13.420 1.00 1.00 H new ATOM 0 HA LEU A 10 -1.802 4.405 11.442 1.00 1.00 H new ATOM 0 HB2 LEU A 10 -4.362 2.922 12.228 1.00 1.00 H new ATOM 0 HB3 LEU A 10 -4.150 3.845 10.753 1.00 1.00 H new ATOM 0 HG LEU A 10 -2.168 1.660 11.440 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -3.583 0.044 10.175 1.00 1.00 H new ATOM 0 HD12 LEU A 10 -4.418 0.625 11.635 1.00 1.00 H new ATOM 0 HD13 LEU A 10 -4.859 1.277 10.039 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -2.006 1.514 8.961 1.00 1.00 H new ATOM 0 HD22 LEU A 10 -3.271 2.756 8.809 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -1.698 3.171 9.530 1.00 1.00 H new ATOM 140 N PRO A 11 -3.045 6.503 12.212 1.00 1.00 N ATOM 141 CA PRO A 11 -3.646 7.746 12.777 1.00 1.00 C ATOM 142 C PRO A 11 -5.169 7.727 12.687 1.00 1.00 C ATOM 143 O PRO A 11 -5.744 7.150 11.764 1.00 1.00 O ATOM 144 CB PRO A 11 -3.032 8.876 11.935 1.00 1.00 C ATOM 145 CG PRO A 11 -2.666 8.237 10.635 1.00 1.00 C ATOM 146 CD PRO A 11 -2.318 6.779 10.955 1.00 1.00 C ATOM 0 HA PRO A 11 -3.435 7.865 13.840 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -3.743 9.689 11.788 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -2.157 9.302 12.425 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -3.493 8.293 9.928 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -1.819 8.747 10.176 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -2.635 6.109 10.156 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -1.243 6.643 11.078 1.00 1.00 H new ATOM 154 N VAL A 12 -5.814 8.352 13.664 1.00 1.00 N ATOM 155 CA VAL A 12 -7.269 8.398 13.704 1.00 1.00 C ATOM 156 C VAL A 12 -7.822 9.287 12.596 1.00 1.00 C ATOM 157 O VAL A 12 -8.909 9.041 12.078 1.00 1.00 O ATOM 158 CB VAL A 12 -7.734 8.918 15.065 1.00 1.00 C ATOM 159 CG1 VAL A 12 -7.128 8.058 16.176 1.00 1.00 C ATOM 160 CG2 VAL A 12 -7.274 10.366 15.239 1.00 1.00 C ATOM 0 H VAL A 12 -5.354 8.833 14.437 1.00 1.00 H new ATOM 0 HA VAL A 12 -7.646 7.387 13.550 1.00 1.00 H new ATOM 0 HB VAL A 12 -8.822 8.869 15.119 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -7.460 8.429 17.146 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -7.451 7.024 16.053 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -6.040 8.107 16.122 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -7.604 10.739 16.209 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -6.186 10.411 15.184 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -7.703 10.982 14.448 1.00 1.00 H new ATOM 170 N GLY A 13 -7.074 10.325 12.247 1.00 1.00 N ATOM 171 CA GLY A 13 -7.510 11.248 11.207 1.00 1.00 C ATOM 172 C GLY A 13 -7.693 10.530 9.875 1.00 1.00 C ATOM 173 O GLY A 13 -8.620 10.829 9.122 1.00 1.00 O ATOM 0 H GLY A 13 -6.170 10.548 12.664 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -8.449 11.716 11.503 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -6.777 12.047 11.095 1.00 1.00 H new ATOM 177 N ALA A 14 -6.805 9.585 9.586 1.00 1.00 N ATOM 178 CA ALA A 14 -6.883 8.836 8.335 1.00 1.00 C ATOM 179 C ALA A 14 -8.018 7.820 8.383 1.00 1.00 C ATOM 180 O ALA A 14 -8.254 7.185 9.409 1.00 1.00 O ATOM 181 CB ALA A 14 -5.563 8.111 8.072 1.00 1.00 C ATOM 0 H ALA A 14 -6.030 9.320 10.194 1.00 1.00 H new ATOM 0 HA ALA A 14 -7.077 9.543 7.528 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -5.633 7.556 7.137 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -4.755 8.840 8.002 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -5.358 7.420 8.890 1.00 1.00 H new ATOM 187 N GLN A 15 -8.704 7.660 7.253 1.00 1.00 N ATOM 188 CA GLN A 15 -9.803 6.700 7.150 1.00 1.00 C ATOM 189 C GLN A 15 -9.300 5.450 6.422 1.00 1.00 C ATOM 190 O GLN A 15 -9.186 5.477 5.204 1.00 1.00 O ATOM 191 CB GLN A 15 -10.959 7.311 6.345 1.00 1.00 C ATOM 192 CG GLN A 15 -11.319 8.701 6.897 1.00 1.00 C ATOM 193 CD GLN A 15 -12.764 9.048 6.549 1.00 1.00 C ATOM 194 OE1 GLN A 15 -13.173 8.940 5.313 1.00 1.00 O flip ATOM 195 NE2 GLN A 15 -13.541 9.424 7.426 1.00 1.00 N flip ATOM 0 H GLN A 15 -8.519 8.182 6.396 1.00 1.00 H new ATOM 0 HA GLN A 15 -10.155 6.444 8.149 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -10.677 7.391 5.295 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -11.830 6.657 6.392 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -11.184 8.717 7.978 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -10.647 9.451 6.480 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -13.220 9.508 8.390 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -14.506 9.652 7.189 1.00 1.00 H new ATOM 204 N PRO A 16 -8.967 4.375 7.113 1.00 1.00 N ATOM 205 CA PRO A 16 -8.428 3.150 6.443 1.00 1.00 C ATOM 206 C PRO A 16 -9.507 2.345 5.724 1.00 1.00 C ATOM 207 O PRO A 16 -10.280 1.621 6.350 1.00 1.00 O ATOM 208 CB PRO A 16 -7.814 2.362 7.606 1.00 1.00 C ATOM 209 CG PRO A 16 -8.642 2.729 8.791 1.00 1.00 C ATOM 210 CD PRO A 16 -9.071 4.187 8.577 1.00 1.00 C ATOM 0 HA PRO A 16 -7.714 3.389 5.655 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -7.846 1.289 7.418 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -6.768 2.628 7.756 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -9.511 2.076 8.877 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -8.071 2.622 9.713 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -10.087 4.361 8.931 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -8.423 4.878 9.116 1.00 1.00 H new ATOM 218 N LEU A 17 -9.539 2.474 4.398 1.00 1.00 N ATOM 219 CA LEU A 17 -10.513 1.752 3.588 1.00 1.00 C ATOM 220 C LEU A 17 -10.252 0.258 3.665 1.00 1.00 C ATOM 221 O LEU A 17 -11.176 -0.547 3.788 1.00 1.00 O ATOM 222 CB LEU A 17 -10.400 2.177 2.125 1.00 1.00 C ATOM 223 CG LEU A 17 -10.686 3.673 1.979 1.00 1.00 C ATOM 224 CD1 LEU A 17 -10.538 4.059 0.505 1.00 1.00 C ATOM 225 CD2 LEU A 17 -12.110 3.998 2.464 1.00 1.00 C ATOM 0 H LEU A 17 -8.904 3.069 3.866 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.508 1.981 3.971 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -9.401 1.953 1.751 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -11.103 1.605 1.519 1.00 1.00 H new ATOM 0 HG LEU A 17 -9.980 4.239 2.587 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -10.739 5.124 0.386 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -9.523 3.842 0.172 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -11.246 3.487 -0.094 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -12.297 5.066 2.353 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -12.833 3.439 1.870 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -12.210 3.719 3.513 1.00 1.00 H new ATOM 237 N ALA A 18 -8.975 -0.101 3.575 1.00 1.00 N ATOM 238 CA ALA A 18 -8.566 -1.503 3.616 1.00 1.00 C ATOM 239 C ALA A 18 -7.207 -1.636 4.292 1.00 1.00 C ATOM 240 O ALA A 18 -6.390 -0.717 4.246 1.00 1.00 O ATOM 241 CB ALA A 18 -8.482 -2.057 2.189 1.00 1.00 C ATOM 0 H ALA A 18 -8.204 0.559 3.473 1.00 1.00 H new ATOM 0 HA ALA A 18 -9.304 -2.068 4.186 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -8.177 -3.103 2.222 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -9.458 -1.979 1.710 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -7.751 -1.484 1.619 1.00 1.00 H new ATOM 247 N THR A 19 -6.971 -2.789 4.915 1.00 1.00 N ATOM 248 CA THR A 19 -5.702 -3.040 5.600 1.00 1.00 C ATOM 249 C THR A 19 -5.261 -4.481 5.391 1.00 1.00 C ATOM 250 O THR A 19 -6.031 -5.416 5.612 1.00 1.00 O ATOM 251 CB THR A 19 -5.845 -2.735 7.090 1.00 1.00 C ATOM 252 OG1 THR A 19 -4.744 -3.291 7.795 1.00 1.00 O ATOM 253 CG2 THR A 19 -7.152 -3.329 7.619 1.00 1.00 C ATOM 0 H THR A 19 -7.637 -3.561 4.960 1.00 1.00 H new ATOM 0 HA THR A 19 -4.939 -2.385 5.179 1.00 1.00 H new ATOM 0 HB THR A 19 -5.861 -1.655 7.237 1.00 1.00 H new ATOM 0 HG1 THR A 19 -4.835 -3.094 8.751 1.00 1.00 H new ATOM 0 HG21 THR A 19 -7.248 -3.108 8.682 1.00 1.00 H new ATOM 0 HG22 THR A 19 -7.994 -2.894 7.080 1.00 1.00 H new ATOM 0 HG23 THR A 19 -7.147 -4.409 7.472 1.00 1.00 H new ATOM 261 N VAL A 20 -4.018 -4.656 4.941 1.00 1.00 N ATOM 262 CA VAL A 20 -3.486 -5.993 4.681 1.00 1.00 C ATOM 263 C VAL A 20 -2.022 -6.087 5.097 1.00 1.00 C ATOM 264 O VAL A 20 -1.331 -5.074 5.219 1.00 1.00 O ATOM 265 CB VAL A 20 -3.609 -6.303 3.184 1.00 1.00 C ATOM 266 CG1 VAL A 20 -2.847 -7.590 2.846 1.00 1.00 C ATOM 267 CG2 VAL A 20 -5.089 -6.462 2.813 1.00 1.00 C ATOM 0 H VAL A 20 -3.366 -3.895 4.750 1.00 1.00 H new ATOM 0 HA VAL A 20 -4.058 -6.715 5.264 1.00 1.00 H new ATOM 0 HB VAL A 20 -3.178 -5.480 2.613 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -2.942 -7.800 1.781 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -1.794 -7.467 3.099 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -3.263 -8.420 3.417 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -5.176 -6.682 1.749 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -5.523 -7.279 3.389 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -5.622 -5.538 3.037 1.00 1.00 H new ATOM 277 N GLU A 21 -1.549 -7.316 5.285 1.00 1.00 N ATOM 278 CA GLU A 21 -0.158 -7.553 5.655 1.00 1.00 C ATOM 279 C GLU A 21 0.611 -8.040 4.433 1.00 1.00 C ATOM 280 O GLU A 21 0.255 -9.051 3.826 1.00 1.00 O ATOM 281 CB GLU A 21 -0.073 -8.605 6.765 1.00 1.00 C ATOM 282 CG GLU A 21 -0.718 -8.060 8.048 1.00 1.00 C ATOM 283 CD GLU A 21 -2.235 -8.219 7.985 1.00 1.00 C ATOM 284 OE1 GLU A 21 -2.727 -8.619 6.941 1.00 1.00 O ATOM 285 OE2 GLU A 21 -2.883 -7.925 8.974 1.00 1.00 O ATOM 0 H GLU A 21 -2.109 -8.163 5.187 1.00 1.00 H new ATOM 0 HA GLU A 21 0.276 -6.622 6.020 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -0.579 -9.519 6.452 1.00 1.00 H new ATOM 0 HB3 GLU A 21 0.969 -8.866 6.953 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -0.325 -8.591 8.915 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -0.460 -7.009 8.175 1.00 1.00 H new ATOM 292 N GLY A 22 1.662 -7.308 4.069 1.00 1.00 N ATOM 293 CA GLY A 22 2.479 -7.658 2.905 1.00 1.00 C ATOM 294 C GLY A 22 3.945 -7.790 3.293 1.00 1.00 C ATOM 295 O GLY A 22 4.293 -7.738 4.470 1.00 1.00 O ATOM 0 H GLY A 22 1.969 -6.469 4.562 1.00 1.00 H new ATOM 0 HA2 GLY A 22 2.126 -8.596 2.476 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.369 -6.894 2.135 1.00 1.00 H new ATOM 299 N MET A 23 4.800 -7.971 2.291 1.00 1.00 N ATOM 300 CA MET A 23 6.233 -8.121 2.520 1.00 1.00 C ATOM 301 C MET A 23 7.012 -7.201 1.588 1.00 1.00 C ATOM 302 O MET A 23 7.098 -7.446 0.387 1.00 1.00 O ATOM 303 CB MET A 23 6.631 -9.574 2.262 1.00 1.00 C ATOM 304 CG MET A 23 5.759 -10.494 3.120 1.00 1.00 C ATOM 305 SD MET A 23 6.053 -10.152 4.873 1.00 1.00 S ATOM 306 CE MET A 23 7.759 -10.751 4.944 1.00 1.00 C ATOM 0 H MET A 23 4.524 -8.017 1.310 1.00 1.00 H new ATOM 0 HA MET A 23 6.465 -7.853 3.551 1.00 1.00 H new ATOM 0 HB2 MET A 23 6.507 -9.816 1.206 1.00 1.00 H new ATOM 0 HB3 MET A 23 7.684 -9.723 2.502 1.00 1.00 H new ATOM 0 HG2 MET A 23 4.707 -10.341 2.881 1.00 1.00 H new ATOM 0 HG3 MET A 23 5.987 -11.537 2.900 1.00 1.00 H new ATOM 0 HE1 MET A 23 7.980 -11.101 5.952 1.00 1.00 H new ATOM 0 HE2 MET A 23 7.886 -11.573 4.239 1.00 1.00 H new ATOM 0 HE3 MET A 23 8.440 -9.941 4.683 1.00 1.00 H new ATOM 316 N GLU A 24 7.575 -6.141 2.157 1.00 1.00 N ATOM 317 CA GLU A 24 8.348 -5.181 1.376 1.00 1.00 C ATOM 318 C GLU A 24 9.723 -5.745 1.040 1.00 1.00 C ATOM 319 O GLU A 24 10.460 -6.176 1.926 1.00 1.00 O ATOM 320 CB GLU A 24 8.488 -3.877 2.163 1.00 1.00 C ATOM 321 CG GLU A 24 9.300 -2.863 1.360 1.00 1.00 C ATOM 322 CD GLU A 24 9.298 -1.524 2.084 1.00 1.00 C ATOM 323 OE1 GLU A 24 8.856 -1.492 3.222 1.00 1.00 O ATOM 324 OE2 GLU A 24 9.731 -0.549 1.494 1.00 1.00 O ATOM 0 H GLU A 24 7.512 -5.925 3.152 1.00 1.00 H new ATOM 0 HA GLU A 24 7.824 -4.983 0.441 1.00 1.00 H new ATOM 0 HB2 GLU A 24 7.502 -3.470 2.386 1.00 1.00 H new ATOM 0 HB3 GLU A 24 8.976 -4.070 3.118 1.00 1.00 H new ATOM 0 HG2 GLU A 24 10.323 -3.218 1.233 1.00 1.00 H new ATOM 0 HG3 GLU A 24 8.876 -2.750 0.362 1.00 1.00 H new ATOM 331 N MET A 25 10.063 -5.740 -0.252 1.00 1.00 N ATOM 332 CA MET A 25 11.358 -6.254 -0.709 1.00 1.00 C ATOM 333 C MET A 25 12.192 -5.136 -1.329 1.00 1.00 C ATOM 334 O MET A 25 11.677 -4.299 -2.070 1.00 1.00 O ATOM 335 CB MET A 25 11.152 -7.366 -1.751 1.00 1.00 C ATOM 336 CG MET A 25 9.898 -8.176 -1.415 1.00 1.00 C ATOM 337 SD MET A 25 8.428 -7.268 -1.951 1.00 1.00 S ATOM 338 CE MET A 25 8.392 -7.865 -3.660 1.00 1.00 C ATOM 0 H MET A 25 9.463 -5.387 -0.997 1.00 1.00 H new ATOM 0 HA MET A 25 11.885 -6.657 0.156 1.00 1.00 H new ATOM 0 HB2 MET A 25 11.057 -6.930 -2.746 1.00 1.00 H new ATOM 0 HB3 MET A 25 12.023 -8.021 -1.772 1.00 1.00 H new ATOM 0 HG2 MET A 25 9.937 -9.148 -1.908 1.00 1.00 H new ATOM 0 HG3 MET A 25 9.851 -8.364 -0.342 1.00 1.00 H new ATOM 0 HE1 MET A 25 7.589 -7.367 -4.203 1.00 1.00 H new ATOM 0 HE2 MET A 25 9.345 -7.647 -4.142 1.00 1.00 H new ATOM 0 HE3 MET A 25 8.220 -8.941 -3.666 1.00 1.00 H new ATOM 348 N LYS A 26 13.493 -5.143 -1.042 1.00 1.00 N ATOM 349 CA LYS A 26 14.406 -4.142 -1.595 1.00 1.00 C ATOM 350 C LYS A 26 15.670 -4.820 -2.104 1.00 1.00 C ATOM 351 O LYS A 26 16.078 -5.863 -1.594 1.00 1.00 O ATOM 352 CB LYS A 26 14.782 -3.095 -0.538 1.00 1.00 C ATOM 353 CG LYS A 26 13.538 -2.318 -0.121 1.00 1.00 C ATOM 354 CD LYS A 26 13.929 -1.247 0.898 1.00 1.00 C ATOM 355 CE LYS A 26 12.683 -0.484 1.345 1.00 1.00 C ATOM 356 NZ LYS A 26 13.068 0.549 2.346 1.00 1.00 N ATOM 0 H LYS A 26 13.938 -5.828 -0.432 1.00 1.00 H new ATOM 0 HA LYS A 26 13.898 -3.639 -2.418 1.00 1.00 H new ATOM 0 HB2 LYS A 26 15.226 -3.583 0.330 1.00 1.00 H new ATOM 0 HB3 LYS A 26 15.532 -2.413 -0.938 1.00 1.00 H new ATOM 0 HG2 LYS A 26 13.075 -1.855 -0.993 1.00 1.00 H new ATOM 0 HG3 LYS A 26 12.800 -2.995 0.310 1.00 1.00 H new ATOM 0 HD2 LYS A 26 14.413 -1.709 1.759 1.00 1.00 H new ATOM 0 HD3 LYS A 26 14.651 -0.559 0.458 1.00 1.00 H new ATOM 0 HE2 LYS A 26 12.204 -0.013 0.486 1.00 1.00 H new ATOM 0 HE3 LYS A 26 11.957 -1.173 1.777 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 12.221 1.069 2.651 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 13.507 0.089 3.169 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 13.746 1.212 1.918 1.00 1.00 H new ATOM 370 N GLY A 27 16.276 -4.221 -3.118 1.00 1.00 N ATOM 371 CA GLY A 27 17.494 -4.761 -3.712 1.00 1.00 C ATOM 372 C GLY A 27 18.419 -5.410 -2.676 1.00 1.00 C ATOM 373 O GLY A 27 18.665 -6.615 -2.726 1.00 1.00 O ATOM 0 H GLY A 27 15.945 -3.358 -3.549 1.00 1.00 H new ATOM 0 HA2 GLY A 27 17.228 -5.499 -4.469 1.00 1.00 H new ATOM 0 HA3 GLY A 27 18.031 -3.961 -4.222 1.00 1.00 H new ATOM 377 N PRO A 28 18.958 -4.633 -1.768 1.00 1.00 N ATOM 378 CA PRO A 28 19.910 -5.143 -0.724 1.00 1.00 C ATOM 379 C PRO A 28 19.297 -6.198 0.212 1.00 1.00 C ATOM 380 O PRO A 28 19.998 -7.101 0.669 1.00 1.00 O ATOM 381 CB PRO A 28 20.329 -3.867 0.038 1.00 1.00 C ATOM 382 CG PRO A 28 19.239 -2.878 -0.224 1.00 1.00 C ATOM 383 CD PRO A 28 18.721 -3.186 -1.626 1.00 1.00 C ATOM 0 HA PRO A 28 20.750 -5.673 -1.173 1.00 1.00 H new ATOM 0 HB2 PRO A 28 20.435 -4.063 1.105 1.00 1.00 H new ATOM 0 HB3 PRO A 28 21.291 -3.496 -0.315 1.00 1.00 H new ATOM 0 HG2 PRO A 28 18.443 -2.969 0.515 1.00 1.00 H new ATOM 0 HG3 PRO A 28 19.615 -1.857 -0.162 1.00 1.00 H new ATOM 0 HD2 PRO A 28 17.664 -2.940 -1.727 1.00 1.00 H new ATOM 0 HD3 PRO A 28 19.255 -2.615 -2.386 1.00 1.00 H new ATOM 391 N LEU A 29 17.998 -6.093 0.490 1.00 1.00 N ATOM 392 CA LEU A 29 17.331 -7.062 1.371 1.00 1.00 C ATOM 393 C LEU A 29 15.836 -6.762 1.460 1.00 1.00 C ATOM 394 O LEU A 29 15.349 -5.823 0.838 1.00 1.00 O ATOM 395 CB LEU A 29 17.948 -7.042 2.785 1.00 1.00 C ATOM 396 CG LEU A 29 18.251 -5.605 3.233 1.00 1.00 C ATOM 397 CD1 LEU A 29 16.971 -4.762 3.227 1.00 1.00 C ATOM 398 CD2 LEU A 29 18.828 -5.639 4.654 1.00 1.00 C ATOM 0 H LEU A 29 17.390 -5.359 0.126 1.00 1.00 H new ATOM 0 HA LEU A 29 17.474 -8.054 0.942 1.00 1.00 H new ATOM 0 HB2 LEU A 29 17.262 -7.510 3.491 1.00 1.00 H new ATOM 0 HB3 LEU A 29 18.865 -7.631 2.794 1.00 1.00 H new ATOM 0 HG LEU A 29 18.968 -5.159 2.544 1.00 1.00 H new ATOM 0 HD11 LEU A 29 17.203 -3.746 3.547 1.00 1.00 H new ATOM 0 HD12 LEU A 29 16.555 -4.739 2.220 1.00 1.00 H new ATOM 0 HD13 LEU A 29 16.243 -5.200 3.910 1.00 1.00 H new ATOM 0 HD21 LEU A 29 19.047 -4.623 4.982 1.00 1.00 H new ATOM 0 HD22 LEU A 29 18.102 -6.090 5.331 1.00 1.00 H new ATOM 0 HD23 LEU A 29 19.745 -6.228 4.660 1.00 1.00 H new ATOM 410 N ARG A 30 15.104 -7.565 2.240 1.00 1.00 N ATOM 411 CA ARG A 30 13.661 -7.364 2.405 1.00 1.00 C ATOM 412 C ARG A 30 13.298 -7.236 3.879 1.00 1.00 C ATOM 413 O ARG A 30 14.121 -7.487 4.760 1.00 1.00 O ATOM 414 CB ARG A 30 12.890 -8.526 1.778 1.00 1.00 C ATOM 415 CG ARG A 30 13.309 -9.842 2.427 1.00 1.00 C ATOM 416 CD ARG A 30 12.400 -10.955 1.921 1.00 1.00 C ATOM 417 NE ARG A 30 12.553 -11.144 0.477 1.00 1.00 N ATOM 418 CZ ARG A 30 13.501 -11.932 -0.021 1.00 1.00 C ATOM 419 NH1 ARG A 30 14.377 -12.480 0.776 1.00 1.00 N ATOM 420 NH2 ARG A 30 13.562 -12.149 -1.307 1.00 1.00 N ATOM 0 H ARG A 30 15.484 -8.354 2.763 1.00 1.00 H new ATOM 0 HA ARG A 30 13.386 -6.439 1.899 1.00 1.00 H new ATOM 0 HB2 ARG A 30 11.818 -8.373 1.906 1.00 1.00 H new ATOM 0 HB3 ARG A 30 13.081 -8.563 0.705 1.00 1.00 H new ATOM 0 HG2 ARG A 30 14.348 -10.066 2.187 1.00 1.00 H new ATOM 0 HG3 ARG A 30 13.242 -9.765 3.512 1.00 1.00 H new ATOM 0 HD2 ARG A 30 12.635 -11.885 2.440 1.00 1.00 H new ATOM 0 HD3 ARG A 30 11.362 -10.714 2.152 1.00 1.00 H new ATOM 0 HE ARG A 30 11.919 -10.661 -0.160 1.00 1.00 H new ATOM 0 HH11 ARG A 30 14.334 -12.304 1.780 1.00 1.00 H new ATOM 0 HH12 ARG A 30 15.105 -13.085 0.395 1.00 1.00 H new ATOM 0 HH21 ARG A 30 12.882 -11.714 -1.930 1.00 1.00 H new ATOM 0 HH22 ARG A 30 14.290 -12.754 -1.688 1.00 1.00 H new ATOM 434 N GLU A 31 12.059 -6.831 4.137 1.00 1.00 N ATOM 435 CA GLU A 31 11.586 -6.659 5.504 1.00 1.00 C ATOM 436 C GLU A 31 10.056 -6.734 5.527 1.00 1.00 C ATOM 437 O GLU A 31 9.405 -6.255 4.600 1.00 1.00 O ATOM 438 CB GLU A 31 12.041 -5.294 6.029 1.00 1.00 C ATOM 439 CG GLU A 31 11.798 -4.222 4.958 1.00 1.00 C ATOM 440 CD GLU A 31 12.898 -4.268 3.899 1.00 1.00 C ATOM 441 OE1 GLU A 31 14.059 -4.255 4.277 1.00 1.00 O ATOM 442 OE2 GLU A 31 12.563 -4.316 2.728 1.00 1.00 O ATOM 0 H GLU A 31 11.367 -6.617 3.419 1.00 1.00 H new ATOM 0 HA GLU A 31 11.996 -7.447 6.136 1.00 1.00 H new ATOM 0 HB2 GLU A 31 11.496 -5.043 6.939 1.00 1.00 H new ATOM 0 HB3 GLU A 31 13.099 -5.328 6.290 1.00 1.00 H new ATOM 0 HG2 GLU A 31 10.827 -4.381 4.490 1.00 1.00 H new ATOM 0 HG3 GLU A 31 11.771 -3.236 5.421 1.00 1.00 H new ATOM 449 N PRO A 32 9.456 -7.309 6.544 1.00 1.00 N ATOM 450 CA PRO A 32 7.972 -7.403 6.613 1.00 1.00 C ATOM 451 C PRO A 32 7.339 -6.016 6.667 1.00 1.00 C ATOM 452 O PRO A 32 7.893 -5.092 7.263 1.00 1.00 O ATOM 453 CB PRO A 32 7.703 -8.218 7.892 1.00 1.00 C ATOM 454 CG PRO A 32 8.946 -8.085 8.715 1.00 1.00 C ATOM 455 CD PRO A 32 10.099 -7.914 7.725 1.00 1.00 C ATOM 0 HA PRO A 32 7.535 -7.878 5.735 1.00 1.00 H new ATOM 0 HB2 PRO A 32 6.834 -7.834 8.427 1.00 1.00 H new ATOM 0 HB3 PRO A 32 7.497 -9.262 7.657 1.00 1.00 H new ATOM 0 HG2 PRO A 32 8.879 -7.228 9.385 1.00 1.00 H new ATOM 0 HG3 PRO A 32 9.096 -8.967 9.338 1.00 1.00 H new ATOM 0 HD2 PRO A 32 10.882 -7.272 8.128 1.00 1.00 H new ATOM 0 HD3 PRO A 32 10.564 -8.869 7.483 1.00 1.00 H new ATOM 463 N CYS A 33 6.183 -5.874 6.026 1.00 1.00 N ATOM 464 CA CYS A 33 5.487 -4.591 5.989 1.00 1.00 C ATOM 465 C CYS A 33 3.980 -4.806 5.914 1.00 1.00 C ATOM 466 O CYS A 33 3.510 -5.933 5.765 1.00 1.00 O ATOM 467 CB CYS A 33 5.951 -3.792 4.767 1.00 1.00 C ATOM 468 SG CYS A 33 5.201 -4.479 3.267 1.00 1.00 S ATOM 0 H CYS A 33 5.710 -6.627 5.527 1.00 1.00 H new ATOM 0 HA CYS A 33 5.719 -4.039 6.900 1.00 1.00 H new ATOM 0 HB2 CYS A 33 5.671 -2.744 4.878 1.00 1.00 H new ATOM 0 HB3 CYS A 33 7.038 -3.825 4.690 1.00 1.00 H new ATOM 0 HG CYS A 33 4.963 -3.520 2.423 1.00 1.00 H new ATOM 474 N ALA A 34 3.223 -3.714 6.006 1.00 1.00 N ATOM 475 CA ALA A 34 1.766 -3.789 5.932 1.00 1.00 C ATOM 476 C ALA A 34 1.231 -2.704 5.011 1.00 1.00 C ATOM 477 O ALA A 34 1.575 -1.531 5.147 1.00 1.00 O ATOM 478 CB ALA A 34 1.151 -3.638 7.326 1.00 1.00 C ATOM 0 H ALA A 34 3.592 -2.772 6.131 1.00 1.00 H new ATOM 0 HA ALA A 34 1.491 -4.764 5.531 1.00 1.00 H new ATOM 0 HB1 ALA A 34 0.065 -3.696 7.253 1.00 1.00 H new ATOM 0 HB2 ALA A 34 1.514 -4.437 7.972 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.435 -2.673 7.746 1.00 1.00 H new ATOM 484 N LEU A 35 0.390 -3.113 4.067 1.00 1.00 N ATOM 485 CA LEU A 35 -0.196 -2.186 3.107 1.00 1.00 C ATOM 486 C LEU A 35 -1.589 -1.778 3.568 1.00 1.00 C ATOM 487 O LEU A 35 -2.479 -2.619 3.697 1.00 1.00 O ATOM 488 CB LEU A 35 -0.280 -2.860 1.730 1.00 1.00 C ATOM 489 CG LEU A 35 1.098 -2.864 1.041 1.00 1.00 C ATOM 490 CD1 LEU A 35 1.521 -1.434 0.657 1.00 1.00 C ATOM 491 CD2 LEU A 35 2.141 -3.480 1.980 1.00 1.00 C ATOM 0 H LEU A 35 0.099 -4.083 3.947 1.00 1.00 H new ATOM 0 HA LEU A 35 0.429 -1.296 3.036 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -0.639 -3.883 1.842 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -1.003 -2.335 1.106 1.00 1.00 H new ATOM 0 HG LEU A 35 1.030 -3.459 0.130 1.00 1.00 H new ATOM 0 HD11 LEU A 35 2.497 -1.461 0.172 1.00 1.00 H new ATOM 0 HD12 LEU A 35 0.787 -1.009 -0.028 1.00 1.00 H new ATOM 0 HD13 LEU A 35 1.579 -0.818 1.555 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.115 -3.482 1.491 1.00 1.00 H new ATOM 0 HD22 LEU A 35 2.197 -2.893 2.897 1.00 1.00 H new ATOM 0 HD23 LEU A 35 1.854 -4.504 2.221 1.00 1.00 H new ATOM 503 N THR A 36 -1.770 -0.481 3.820 1.00 1.00 N ATOM 504 CA THR A 36 -3.059 0.035 4.278 1.00 1.00 C ATOM 505 C THR A 36 -3.510 1.228 3.449 1.00 1.00 C ATOM 506 O THR A 36 -2.909 2.302 3.498 1.00 1.00 O ATOM 507 CB THR A 36 -2.957 0.440 5.749 1.00 1.00 C ATOM 508 OG1 THR A 36 -2.589 -0.693 6.523 1.00 1.00 O ATOM 509 CG2 THR A 36 -4.307 0.970 6.228 1.00 1.00 C ATOM 0 H THR A 36 -1.044 0.228 3.715 1.00 1.00 H new ATOM 0 HA THR A 36 -3.800 -0.756 4.160 1.00 1.00 H new ATOM 0 HB THR A 36 -2.203 1.219 5.862 1.00 1.00 H new ATOM 0 HG1 THR A 36 -2.521 -0.437 7.466 1.00 1.00 H new ATOM 0 HG21 THR A 36 -4.233 1.258 7.277 1.00 1.00 H new ATOM 0 HG22 THR A 36 -4.589 1.838 5.632 1.00 1.00 H new ATOM 0 HG23 THR A 36 -5.063 0.193 6.118 1.00 1.00 H new ATOM 517 N LEU A 37 -4.600 1.033 2.712 1.00 1.00 N ATOM 518 CA LEU A 37 -5.170 2.091 1.887 1.00 1.00 C ATOM 519 C LEU A 37 -6.110 2.931 2.737 1.00 1.00 C ATOM 520 O LEU A 37 -6.969 2.395 3.436 1.00 1.00 O ATOM 521 CB LEU A 37 -5.927 1.476 0.703 1.00 1.00 C ATOM 522 CG LEU A 37 -6.647 2.567 -0.108 1.00 1.00 C ATOM 523 CD1 LEU A 37 -5.636 3.617 -0.596 1.00 1.00 C ATOM 524 CD2 LEU A 37 -7.357 1.915 -1.314 1.00 1.00 C ATOM 0 H LEU A 37 -5.107 0.149 2.670 1.00 1.00 H new ATOM 0 HA LEU A 37 -4.374 2.725 1.497 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -5.231 0.938 0.060 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -6.652 0.748 1.067 1.00 1.00 H new ATOM 0 HG LEU A 37 -7.384 3.063 0.524 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -6.156 4.384 -1.169 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -5.145 4.075 0.262 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -4.889 3.137 -1.228 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -7.870 2.683 -1.893 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -6.620 1.416 -1.944 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -8.083 1.185 -0.957 1.00 1.00 H new ATOM 536 N ALA A 38 -5.936 4.249 2.692 1.00 1.00 N ATOM 537 CA ALA A 38 -6.775 5.144 3.486 1.00 1.00 C ATOM 538 C ALA A 38 -7.125 6.407 2.710 1.00 1.00 C ATOM 539 O ALA A 38 -6.422 6.793 1.779 1.00 1.00 O ATOM 540 CB ALA A 38 -6.047 5.520 4.780 1.00 1.00 C ATOM 0 H ALA A 38 -5.231 4.717 2.122 1.00 1.00 H new ATOM 0 HA ALA A 38 -7.702 4.621 3.721 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -6.675 6.187 5.370 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -5.836 4.618 5.354 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -5.111 6.023 4.538 1.00 1.00 H new ATOM 546 N GLN A 39 -8.224 7.046 3.109 1.00 1.00 N ATOM 547 CA GLN A 39 -8.690 8.277 2.464 1.00 1.00 C ATOM 548 C GLN A 39 -8.716 9.411 3.485 1.00 1.00 C ATOM 549 O GLN A 39 -9.419 9.325 4.490 1.00 1.00 O ATOM 550 CB GLN A 39 -10.102 8.060 1.903 1.00 1.00 C ATOM 551 CG GLN A 39 -10.642 9.364 1.296 1.00 1.00 C ATOM 552 CD GLN A 39 -11.254 10.245 2.382 1.00 1.00 C ATOM 553 OE1 GLN A 39 -10.769 11.349 2.631 1.00 1.00 O ATOM 554 NE2 GLN A 39 -12.302 9.827 3.039 1.00 1.00 N ATOM 0 H GLN A 39 -8.812 6.731 3.880 1.00 1.00 H new ATOM 0 HA GLN A 39 -8.013 8.538 1.651 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -10.083 7.278 1.144 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -10.767 7.718 2.696 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -9.836 9.900 0.796 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -11.392 9.136 0.538 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -12.703 8.912 2.831 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -12.720 10.415 3.760 1.00 1.00 H new ATOM 563 N ARG A 40 -7.944 10.473 3.231 1.00 1.00 N ATOM 564 CA ARG A 40 -7.891 11.618 4.153 1.00 1.00 C ATOM 565 C ARG A 40 -8.163 12.924 3.415 1.00 1.00 C ATOM 566 O ARG A 40 -7.662 13.145 2.314 1.00 1.00 O ATOM 567 CB ARG A 40 -6.521 11.676 4.838 1.00 1.00 C ATOM 568 CG ARG A 40 -6.513 12.805 5.872 1.00 1.00 C ATOM 569 CD ARG A 40 -5.238 12.722 6.713 1.00 1.00 C ATOM 570 NE ARG A 40 -4.058 12.921 5.874 1.00 1.00 N ATOM 571 CZ ARG A 40 -3.591 14.139 5.607 1.00 1.00 C ATOM 572 NH1 ARG A 40 -4.169 15.191 6.122 1.00 1.00 N ATOM 573 NH2 ARG A 40 -2.547 14.279 4.838 1.00 1.00 N ATOM 0 H ARG A 40 -7.353 10.566 2.405 1.00 1.00 H new ATOM 0 HA ARG A 40 -8.665 11.486 4.909 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -6.304 10.724 5.322 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -5.739 11.842 4.097 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -6.568 13.771 5.371 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -7.390 12.729 6.515 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -5.264 13.477 7.499 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -5.182 11.751 7.205 1.00 1.00 H new ATOM 0 HE ARG A 40 -3.581 12.108 5.484 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -4.980 15.081 6.730 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -3.809 16.123 5.916 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -2.091 13.457 4.443 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -2.187 15.211 4.632 1.00 1.00 H new ATOM 587 N ASN A 41 -8.970 13.780 4.039 1.00 1.00 N ATOM 588 CA ASN A 41 -9.332 15.073 3.462 1.00 1.00 C ATOM 589 C ASN A 41 -10.020 14.909 2.109 1.00 1.00 C ATOM 590 O ASN A 41 -9.891 15.765 1.232 1.00 1.00 O ATOM 591 CB ASN A 41 -8.089 15.955 3.302 1.00 1.00 C ATOM 592 CG ASN A 41 -7.602 16.421 4.669 1.00 1.00 C ATOM 593 OD1 ASN A 41 -8.353 16.374 5.645 1.00 1.00 O ATOM 594 ND2 ASN A 41 -6.385 16.873 4.801 1.00 1.00 N ATOM 0 H ASN A 41 -9.388 13.599 4.951 1.00 1.00 H new ATOM 0 HA ASN A 41 -10.031 15.552 4.147 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -7.300 15.398 2.796 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -8.322 16.817 2.677 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -6.054 17.188 5.713 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -5.765 16.911 3.992 1.00 1.00 H new ATOM 601 N GLY A 42 -10.766 13.818 1.947 1.00 1.00 N ATOM 602 CA GLY A 42 -11.477 13.579 0.693 1.00 1.00 C ATOM 603 C GLY A 42 -10.507 13.197 -0.420 1.00 1.00 C ATOM 604 O GLY A 42 -10.831 13.288 -1.603 1.00 1.00 O ATOM 0 H GLY A 42 -10.893 13.096 2.656 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.209 12.783 0.832 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -12.030 14.474 0.408 1.00 1.00 H new ATOM 608 N GLN A 43 -9.308 12.776 -0.025 1.00 1.00 N ATOM 609 CA GLN A 43 -8.269 12.384 -0.973 1.00 1.00 C ATOM 610 C GLN A 43 -7.776 10.976 -0.658 1.00 1.00 C ATOM 611 O GLN A 43 -7.613 10.615 0.504 1.00 1.00 O ATOM 612 CB GLN A 43 -7.112 13.392 -0.884 1.00 1.00 C ATOM 613 CG GLN A 43 -5.887 12.869 -1.636 1.00 1.00 C ATOM 614 CD GLN A 43 -6.267 12.524 -3.070 1.00 1.00 C ATOM 615 OE1 GLN A 43 -6.167 11.290 -3.480 1.00 1.00 O flip ATOM 616 NE2 GLN A 43 -6.670 13.398 -3.835 1.00 1.00 N flip ATOM 0 H GLN A 43 -9.031 12.697 0.953 1.00 1.00 H new ATOM 0 HA GLN A 43 -8.673 12.383 -1.985 1.00 1.00 H new ATOM 0 HB2 GLN A 43 -7.422 14.349 -1.304 1.00 1.00 H new ATOM 0 HB3 GLN A 43 -6.856 13.570 0.161 1.00 1.00 H new ATOM 0 HG2 GLN A 43 -5.098 13.621 -1.631 1.00 1.00 H new ATOM 0 HG3 GLN A 43 -5.490 11.987 -1.133 1.00 1.00 H new ATOM 0 HE21 GLN A 43 -6.747 14.362 -3.512 1.00 1.00 H new ATOM 0 HE22 GLN A 43 -6.927 13.159 -4.793 1.00 1.00 H new ATOM 625 N TYR A 44 -7.526 10.187 -1.699 1.00 1.00 N ATOM 626 CA TYR A 44 -7.040 8.828 -1.504 1.00 1.00 C ATOM 627 C TYR A 44 -5.542 8.849 -1.232 1.00 1.00 C ATOM 628 O TYR A 44 -4.792 9.552 -1.906 1.00 1.00 O ATOM 629 CB TYR A 44 -7.322 7.982 -2.751 1.00 1.00 C ATOM 630 CG TYR A 44 -8.798 7.663 -2.836 1.00 1.00 C ATOM 631 CD1 TYR A 44 -9.683 8.586 -3.405 1.00 1.00 C ATOM 632 CD2 TYR A 44 -9.277 6.439 -2.348 1.00 1.00 C ATOM 633 CE1 TYR A 44 -11.049 8.285 -3.487 1.00 1.00 C ATOM 634 CE2 TYR A 44 -10.643 6.140 -2.431 1.00 1.00 C ATOM 635 CZ TYR A 44 -11.528 7.063 -3.002 1.00 1.00 C ATOM 636 OH TYR A 44 -12.874 6.768 -3.083 1.00 1.00 O ATOM 0 H TYR A 44 -7.650 10.462 -2.673 1.00 1.00 H new ATOM 0 HA TYR A 44 -7.557 8.389 -0.651 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -7.006 8.520 -3.645 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -6.744 7.059 -2.713 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -9.314 9.529 -3.780 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -8.594 5.727 -1.909 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -11.733 8.997 -3.925 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -11.014 5.198 -2.055 1.00 1.00 H new ATOM 0 HH TYR A 44 -13.038 5.880 -2.702 1.00 1.00 H new ATOM 646 N GLU A 45 -5.112 8.070 -0.244 1.00 1.00 N ATOM 647 CA GLU A 45 -3.696 7.997 0.109 1.00 1.00 C ATOM 648 C GLU A 45 -3.346 6.600 0.613 1.00 1.00 C ATOM 649 O GLU A 45 -4.121 5.977 1.338 1.00 1.00 O ATOM 650 CB GLU A 45 -3.352 9.053 1.169 1.00 1.00 C ATOM 651 CG GLU A 45 -4.021 8.719 2.506 1.00 1.00 C ATOM 652 CD GLU A 45 -3.727 9.825 3.515 1.00 1.00 C ATOM 653 OE1 GLU A 45 -3.725 10.979 3.115 1.00 1.00 O ATOM 654 OE2 GLU A 45 -3.506 9.504 4.670 1.00 1.00 O ATOM 0 H GLU A 45 -5.721 7.482 0.325 1.00 1.00 H new ATOM 0 HA GLU A 45 -3.105 8.201 -0.784 1.00 1.00 H new ATOM 0 HB2 GLU A 45 -2.271 9.104 1.301 1.00 1.00 H new ATOM 0 HB3 GLU A 45 -3.679 10.036 0.829 1.00 1.00 H new ATOM 0 HG2 GLU A 45 -5.097 8.614 2.370 1.00 1.00 H new ATOM 0 HG3 GLU A 45 -3.652 7.764 2.880 1.00 1.00 H new ATOM 661 N LEU A 46 -2.171 6.112 0.216 1.00 1.00 N ATOM 662 CA LEU A 46 -1.709 4.780 0.617 1.00 1.00 C ATOM 663 C LEU A 46 -0.638 4.894 1.697 1.00 1.00 C ATOM 664 O LEU A 46 0.365 5.583 1.519 1.00 1.00 O ATOM 665 CB LEU A 46 -1.135 4.051 -0.608 1.00 1.00 C ATOM 666 CG LEU A 46 -0.535 2.692 -0.207 1.00 1.00 C ATOM 667 CD1 LEU A 46 -1.586 1.841 0.517 1.00 1.00 C ATOM 668 CD2 LEU A 46 -0.072 1.960 -1.470 1.00 1.00 C ATOM 0 H LEU A 46 -1.520 6.619 -0.384 1.00 1.00 H new ATOM 0 HA LEU A 46 -2.551 4.216 1.019 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -1.921 3.902 -1.349 1.00 1.00 H new ATOM 0 HB3 LEU A 46 -0.368 4.668 -1.077 1.00 1.00 H new ATOM 0 HG LEU A 46 0.309 2.855 0.463 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -1.149 0.882 0.795 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -1.920 2.362 1.414 1.00 1.00 H new ATOM 0 HD13 LEU A 46 -2.437 1.674 -0.144 1.00 1.00 H new ATOM 0 HD21 LEU A 46 0.355 0.995 -1.196 1.00 1.00 H new ATOM 0 HD22 LEU A 46 -0.923 1.805 -2.133 1.00 1.00 H new ATOM 0 HD23 LEU A 46 0.682 2.558 -1.981 1.00 1.00 H new ATOM 680 N ILE A 47 -0.855 4.203 2.816 1.00 1.00 N ATOM 681 CA ILE A 47 0.105 4.224 3.921 1.00 1.00 C ATOM 682 C ILE A 47 0.891 2.921 3.952 1.00 1.00 C ATOM 683 O ILE A 47 0.315 1.843 4.087 1.00 1.00 O ATOM 684 CB ILE A 47 -0.626 4.387 5.256 1.00 1.00 C ATOM 685 CG1 ILE A 47 -1.484 5.654 5.226 1.00 1.00 C ATOM 686 CG2 ILE A 47 0.405 4.504 6.381 1.00 1.00 C ATOM 687 CD1 ILE A 47 -2.374 5.688 6.471 1.00 1.00 C ATOM 0 H ILE A 47 -1.680 3.626 2.981 1.00 1.00 H new ATOM 0 HA ILE A 47 0.783 5.064 3.770 1.00 1.00 H new ATOM 0 HB ILE A 47 -1.267 3.522 5.426 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -0.847 6.538 5.195 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -2.097 5.671 4.325 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -0.109 4.620 7.335 1.00 1.00 H new ATOM 0 HG22 ILE A 47 1.019 3.604 6.407 1.00 1.00 H new ATOM 0 HG23 ILE A 47 1.041 5.371 6.203 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -2.988 6.589 6.455 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -3.019 4.809 6.481 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -1.750 5.690 7.365 1.00 1.00 H new ATOM 699 N ILE A 48 2.212 3.025 3.838 1.00 1.00 N ATOM 700 CA ILE A 48 3.073 1.843 3.868 1.00 1.00 C ATOM 701 C ILE A 48 3.773 1.764 5.218 1.00 1.00 C ATOM 702 O ILE A 48 4.571 2.636 5.564 1.00 1.00 O ATOM 703 CB ILE A 48 4.119 1.930 2.755 1.00 1.00 C ATOM 704 CG1 ILE A 48 3.415 2.091 1.403 1.00 1.00 C ATOM 705 CG2 ILE A 48 4.951 0.648 2.741 1.00 1.00 C ATOM 706 CD1 ILE A 48 4.441 2.448 0.326 1.00 1.00 C ATOM 0 H ILE A 48 2.709 3.909 3.725 1.00 1.00 H new ATOM 0 HA ILE A 48 2.465 0.951 3.716 1.00 1.00 H new ATOM 0 HB ILE A 48 4.768 2.787 2.933 1.00 1.00 H new ATOM 0 HG12 ILE A 48 2.901 1.167 1.137 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.656 2.870 1.468 1.00 1.00 H new ATOM 0 HG21 ILE A 48 5.697 0.707 1.949 1.00 1.00 H new ATOM 0 HG22 ILE A 48 5.451 0.528 3.702 1.00 1.00 H new ATOM 0 HG23 ILE A 48 4.299 -0.207 2.562 1.00 1.00 H new ATOM 0 HD11 ILE A 48 3.937 2.562 -0.634 1.00 1.00 H new ATOM 0 HD12 ILE A 48 4.935 3.383 0.589 1.00 1.00 H new ATOM 0 HD13 ILE A 48 5.184 1.654 0.254 1.00 1.00 H new ATOM 718 N GLN A 49 3.466 0.719 5.984 1.00 1.00 N ATOM 719 CA GLN A 49 4.063 0.537 7.308 1.00 1.00 C ATOM 720 C GLN A 49 5.109 -0.565 7.285 1.00 1.00 C ATOM 721 O GLN A 49 4.857 -1.664 6.795 1.00 1.00 O ATOM 722 CB GLN A 49 2.984 0.176 8.320 1.00 1.00 C ATOM 723 CG GLN A 49 2.084 1.383 8.556 1.00 1.00 C ATOM 724 CD GLN A 49 1.064 1.060 9.635 1.00 1.00 C ATOM 725 OE1 GLN A 49 1.157 1.654 10.790 1.00 1.00 O flip ATOM 726 NE2 GLN A 49 0.174 0.234 9.429 1.00 1.00 N flip ATOM 0 H GLN A 49 2.810 -0.013 5.713 1.00 1.00 H new ATOM 0 HA GLN A 49 4.542 1.474 7.593 1.00 1.00 H new ATOM 0 HB2 GLN A 49 2.394 -0.665 7.954 1.00 1.00 H new ATOM 0 HB3 GLN A 49 3.441 -0.139 9.258 1.00 1.00 H new ATOM 0 HG2 GLN A 49 2.684 2.243 8.855 1.00 1.00 H new ATOM 0 HG3 GLN A 49 1.575 1.655 7.631 1.00 1.00 H new ATOM 0 HE21 GLN A 49 0.107 -0.228 8.522 1.00 1.00 H new ATOM 0 HE22 GLN A 49 -0.496 0.012 10.165 1.00 1.00 H new ATOM 735 N LEU A 50 6.283 -0.268 7.836 1.00 1.00 N ATOM 736 CA LEU A 50 7.371 -1.248 7.899 1.00 1.00 C ATOM 737 C LEU A 50 7.516 -1.756 9.331 1.00 1.00 C ATOM 738 O LEU A 50 7.620 -0.967 10.270 1.00 1.00 O ATOM 739 CB LEU A 50 8.691 -0.602 7.442 1.00 1.00 C ATOM 740 CG LEU A 50 8.805 -0.632 5.913 1.00 1.00 C ATOM 741 CD1 LEU A 50 7.620 0.108 5.283 1.00 1.00 C ATOM 742 CD2 LEU A 50 10.121 0.040 5.494 1.00 1.00 C ATOM 0 H LEU A 50 6.508 0.639 8.245 1.00 1.00 H new ATOM 0 HA LEU A 50 7.139 -2.083 7.238 1.00 1.00 H new ATOM 0 HB2 LEU A 50 8.740 0.428 7.796 1.00 1.00 H new ATOM 0 HB3 LEU A 50 9.534 -1.132 7.886 1.00 1.00 H new ATOM 0 HG LEU A 50 8.795 -1.666 5.568 1.00 1.00 H new ATOM 0 HD11 LEU A 50 7.710 0.081 4.197 1.00 1.00 H new ATOM 0 HD12 LEU A 50 6.689 -0.374 5.582 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.617 1.144 5.621 1.00 1.00 H new ATOM 0 HD21 LEU A 50 10.209 0.022 4.408 1.00 1.00 H new ATOM 0 HD22 LEU A 50 10.129 1.073 5.842 1.00 1.00 H new ATOM 0 HD23 LEU A 50 10.961 -0.498 5.935 1.00 1.00 H new ATOM 754 N HIS A 51 7.523 -3.075 9.491 1.00 1.00 N ATOM 755 CA HIS A 51 7.657 -3.678 10.815 1.00 1.00 C ATOM 756 C HIS A 51 9.127 -3.910 11.145 1.00 1.00 C ATOM 757 O HIS A 51 9.561 -5.048 11.329 1.00 1.00 O ATOM 758 CB HIS A 51 6.901 -5.007 10.858 1.00 1.00 C ATOM 759 CG HIS A 51 5.436 -4.761 10.613 1.00 1.00 C ATOM 760 ND1 HIS A 51 4.617 -4.165 11.561 1.00 1.00 N ATOM 761 CD2 HIS A 51 4.627 -5.029 9.536 1.00 1.00 C ATOM 762 CE1 HIS A 51 3.377 -4.096 11.040 1.00 1.00 C ATOM 763 NE2 HIS A 51 3.329 -4.610 9.808 1.00 1.00 N ATOM 0 H HIS A 51 7.438 -3.745 8.726 1.00 1.00 H new ATOM 0 HA HIS A 51 7.234 -2.998 11.555 1.00 1.00 H new ATOM 0 HB2 HIS A 51 7.297 -5.687 10.104 1.00 1.00 H new ATOM 0 HB3 HIS A 51 7.043 -5.487 11.826 1.00 1.00 H new ATOM 0 HD1 HIS A 51 4.902 -3.839 12.484 1.00 1.00 H new ATOM 0 HD2 HIS A 51 4.950 -5.495 8.617 1.00 1.00 H new ATOM 0 HE1 HIS A 51 2.526 -3.676 11.555 1.00 1.00 H new ATOM 771 N GLU A 52 9.890 -2.822 11.217 1.00 1.00 N ATOM 772 CA GLU A 52 11.314 -2.912 11.524 1.00 1.00 C ATOM 773 C GLU A 52 11.522 -3.539 12.900 1.00 1.00 C ATOM 774 O GLU A 52 10.716 -3.341 13.808 1.00 1.00 O ATOM 775 CB GLU A 52 11.941 -1.513 11.495 1.00 1.00 C ATOM 776 CG GLU A 52 11.899 -0.965 10.068 1.00 1.00 C ATOM 777 CD GLU A 52 12.445 0.458 10.035 1.00 1.00 C ATOM 778 OE1 GLU A 52 12.798 0.960 11.089 1.00 1.00 O ATOM 779 OE2 GLU A 52 12.497 1.027 8.957 1.00 1.00 O ATOM 0 H GLU A 52 9.548 -1.873 11.068 1.00 1.00 H new ATOM 0 HA GLU A 52 11.794 -3.540 10.774 1.00 1.00 H new ATOM 0 HB2 GLU A 52 11.401 -0.847 12.168 1.00 1.00 H new ATOM 0 HB3 GLU A 52 12.971 -1.557 11.849 1.00 1.00 H new ATOM 0 HG2 GLU A 52 12.486 -1.603 9.408 1.00 1.00 H new ATOM 0 HG3 GLU A 52 10.875 -0.978 9.695 1.00 1.00 H new ATOM 786 N LYS A 53 12.603 -4.298 13.052 1.00 1.00 N ATOM 787 CA LYS A 53 12.888 -4.944 14.329 1.00 1.00 C ATOM 788 C LYS A 53 13.106 -3.890 15.413 1.00 1.00 C ATOM 789 O LYS A 53 12.660 -4.054 16.548 1.00 1.00 O ATOM 790 CB LYS A 53 14.129 -5.833 14.212 1.00 1.00 C ATOM 791 CG LYS A 53 13.836 -6.995 13.257 1.00 1.00 C ATOM 792 CD LYS A 53 15.067 -7.900 13.154 1.00 1.00 C ATOM 793 CE LYS A 53 14.780 -9.052 12.184 1.00 1.00 C ATOM 794 NZ LYS A 53 15.985 -9.922 12.069 1.00 1.00 N ATOM 0 H LYS A 53 13.288 -4.479 12.318 1.00 1.00 H new ATOM 0 HA LYS A 53 12.035 -5.565 14.601 1.00 1.00 H new ATOM 0 HB2 LYS A 53 14.974 -5.250 13.845 1.00 1.00 H new ATOM 0 HB3 LYS A 53 14.409 -6.216 15.193 1.00 1.00 H new ATOM 0 HG2 LYS A 53 12.981 -7.567 13.616 1.00 1.00 H new ATOM 0 HG3 LYS A 53 13.571 -6.611 12.272 1.00 1.00 H new ATOM 0 HD2 LYS A 53 15.925 -7.325 12.807 1.00 1.00 H new ATOM 0 HD3 LYS A 53 15.324 -8.295 14.137 1.00 1.00 H new ATOM 0 HE2 LYS A 53 13.930 -9.636 12.538 1.00 1.00 H new ATOM 0 HE3 LYS A 53 14.509 -8.657 11.205 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 15.788 -10.703 11.411 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 16.785 -9.362 11.712 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 16.224 -10.310 13.004 1.00 1.00 H new ATOM 808 N GLU A 54 13.790 -2.807 15.050 1.00 1.00 N ATOM 809 CA GLU A 54 14.060 -1.728 16.000 1.00 1.00 C ATOM 810 C GLU A 54 12.757 -1.081 16.468 1.00 1.00 C ATOM 811 O GLU A 54 12.600 -0.768 17.648 1.00 1.00 O ATOM 812 CB GLU A 54 14.962 -0.667 15.352 1.00 1.00 C ATOM 813 CG GLU A 54 14.517 -0.413 13.909 1.00 1.00 C ATOM 814 CD GLU A 54 15.240 0.807 13.343 1.00 1.00 C ATOM 815 OE1 GLU A 54 15.915 1.478 14.106 1.00 1.00 O ATOM 816 OE2 GLU A 54 15.111 1.048 12.155 1.00 1.00 O ATOM 0 H GLU A 54 14.165 -2.653 14.114 1.00 1.00 H new ATOM 0 HA GLU A 54 14.569 -2.154 16.865 1.00 1.00 H new ATOM 0 HB2 GLU A 54 14.916 0.260 15.924 1.00 1.00 H new ATOM 0 HB3 GLU A 54 16.000 -1.001 15.368 1.00 1.00 H new ATOM 0 HG2 GLU A 54 14.730 -1.288 13.295 1.00 1.00 H new ATOM 0 HG3 GLU A 54 13.439 -0.254 13.875 1.00 1.00 H new ATOM 823 N GLN A 55 11.829 -0.885 15.539 1.00 1.00 N ATOM 824 CA GLN A 55 10.545 -0.276 15.871 1.00 1.00 C ATOM 825 C GLN A 55 9.604 -0.340 14.673 1.00 1.00 C ATOM 826 O GLN A 55 9.758 -1.186 13.795 1.00 1.00 O ATOM 827 CB GLN A 55 10.749 1.186 16.293 1.00 1.00 C ATOM 828 CG GLN A 55 11.286 2.001 15.115 1.00 1.00 C ATOM 829 CD GLN A 55 11.600 3.424 15.567 1.00 1.00 C ATOM 830 OE1 GLN A 55 11.677 3.694 16.766 1.00 1.00 O ATOM 831 NE2 GLN A 55 11.783 4.355 14.673 1.00 1.00 N ATOM 0 H GLN A 55 11.939 -1.136 14.557 1.00 1.00 H new ATOM 0 HA GLN A 55 10.101 -0.829 16.699 1.00 1.00 H new ATOM 0 HB2 GLN A 55 9.805 1.609 16.638 1.00 1.00 H new ATOM 0 HB3 GLN A 55 11.446 1.238 17.129 1.00 1.00 H new ATOM 0 HG2 GLN A 55 12.185 1.531 14.716 1.00 1.00 H new ATOM 0 HG3 GLN A 55 10.551 2.020 14.310 1.00 1.00 H new ATOM 0 HE21 GLN A 55 11.719 4.129 13.681 1.00 1.00 H new ATOM 0 HE22 GLN A 55 11.991 5.310 14.966 1.00 1.00 H new ATOM 840 N HIS A 56 8.631 0.567 14.640 1.00 1.00 N ATOM 841 CA HIS A 56 7.667 0.623 13.539 1.00 1.00 C ATOM 842 C HIS A 56 7.616 2.035 12.962 1.00 1.00 C ATOM 843 O HIS A 56 7.441 3.005 13.697 1.00 1.00 O ATOM 844 CB HIS A 56 6.276 0.228 14.042 1.00 1.00 C ATOM 845 CG HIS A 56 6.293 -1.204 14.499 1.00 1.00 C ATOM 846 ND1 HIS A 56 6.230 -2.264 13.608 1.00 1.00 N ATOM 847 CD2 HIS A 56 6.365 -1.769 15.748 1.00 1.00 C ATOM 848 CE1 HIS A 56 6.265 -3.400 14.325 1.00 1.00 C ATOM 849 NE2 HIS A 56 6.347 -3.155 15.636 1.00 1.00 N ATOM 0 H HIS A 56 8.487 1.274 15.361 1.00 1.00 H new ATOM 0 HA HIS A 56 7.981 -0.073 12.761 1.00 1.00 H new ATOM 0 HB2 HIS A 56 5.977 0.879 14.864 1.00 1.00 H new ATOM 0 HB3 HIS A 56 5.541 0.358 13.248 1.00 1.00 H new ATOM 0 HD2 HIS A 56 6.426 -1.221 16.676 1.00 1.00 H new ATOM 0 HE1 HIS A 56 6.231 -4.390 13.894 1.00 1.00 H new ATOM 0 HE2 HIS A 56 6.388 -3.838 16.392 1.00 1.00 H new ATOM 857 N VAL A 57 7.773 2.142 11.640 1.00 1.00 N ATOM 858 CA VAL A 57 7.743 3.446 10.966 1.00 1.00 C ATOM 859 C VAL A 57 6.613 3.484 9.946 1.00 1.00 C ATOM 860 O VAL A 57 6.465 2.571 9.133 1.00 1.00 O ATOM 861 CB VAL A 57 9.075 3.706 10.262 1.00 1.00 C ATOM 862 CG1 VAL A 57 10.193 3.779 11.303 1.00 1.00 C ATOM 863 CG2 VAL A 57 9.368 2.571 9.277 1.00 1.00 C ATOM 0 H VAL A 57 7.921 1.348 11.017 1.00 1.00 H new ATOM 0 HA VAL A 57 7.576 4.220 11.715 1.00 1.00 H new ATOM 0 HB VAL A 57 9.019 4.649 9.718 1.00 1.00 H new ATOM 0 HG11 VAL A 57 11.144 3.964 10.803 1.00 1.00 H new ATOM 0 HG12 VAL A 57 9.987 4.589 12.002 1.00 1.00 H new ATOM 0 HG13 VAL A 57 10.246 2.836 11.846 1.00 1.00 H new ATOM 0 HG21 VAL A 57 10.318 2.759 8.777 1.00 1.00 H new ATOM 0 HG22 VAL A 57 9.423 1.626 9.817 1.00 1.00 H new ATOM 0 HG23 VAL A 57 8.571 2.519 8.535 1.00 1.00 H new ATOM 873 N GLN A 58 5.812 4.545 10.002 1.00 1.00 N ATOM 874 CA GLN A 58 4.682 4.704 9.088 1.00 1.00 C ATOM 875 C GLN A 58 5.010 5.700 7.983 1.00 1.00 C ATOM 876 O GLN A 58 5.220 6.885 8.240 1.00 1.00 O ATOM 877 CB GLN A 58 3.461 5.198 9.872 1.00 1.00 C ATOM 878 CG GLN A 58 2.272 5.377 8.927 1.00 1.00 C ATOM 879 CD GLN A 58 1.027 5.743 9.725 1.00 1.00 C ATOM 880 OE1 GLN A 58 -0.004 4.946 9.703 1.00 1.00 O flip ATOM 881 NE2 GLN A 58 0.993 6.779 10.388 1.00 1.00 N flip ATOM 0 H GLN A 58 5.924 5.308 10.670 1.00 1.00 H new ATOM 0 HA GLN A 58 4.469 3.738 8.630 1.00 1.00 H new ATOM 0 HB2 GLN A 58 3.209 4.484 10.656 1.00 1.00 H new ATOM 0 HB3 GLN A 58 3.692 6.143 10.363 1.00 1.00 H new ATOM 0 HG2 GLN A 58 2.490 6.157 8.198 1.00 1.00 H new ATOM 0 HG3 GLN A 58 2.099 4.458 8.368 1.00 1.00 H new ATOM 0 HE21 GLN A 58 1.801 7.401 10.404 1.00 1.00 H new ATOM 0 HE22 GLN A 58 0.157 7.016 10.922 1.00 1.00 H new ATOM 890 N ASP A 59 5.032 5.209 6.747 1.00 1.00 N ATOM 891 CA ASP A 59 5.309 6.056 5.586 1.00 1.00 C ATOM 892 C ASP A 59 4.003 6.382 4.870 1.00 1.00 C ATOM 893 O ASP A 59 3.358 5.497 4.314 1.00 1.00 O ATOM 894 CB ASP A 59 6.256 5.334 4.627 1.00 1.00 C ATOM 895 CG ASP A 59 6.820 6.319 3.609 1.00 1.00 C ATOM 896 OD1 ASP A 59 6.364 7.451 3.591 1.00 1.00 O ATOM 897 OD2 ASP A 59 7.702 5.927 2.862 1.00 1.00 O ATOM 0 H ASP A 59 4.862 4.229 6.521 1.00 1.00 H new ATOM 0 HA ASP A 59 5.780 6.980 5.921 1.00 1.00 H new ATOM 0 HB2 ASP A 59 7.069 4.871 5.186 1.00 1.00 H new ATOM 0 HB3 ASP A 59 5.725 4.532 4.114 1.00 1.00 H new ATOM 902 N ILE A 60 3.612 7.652 4.895 1.00 1.00 N ATOM 903 CA ILE A 60 2.367 8.068 4.252 1.00 1.00 C ATOM 904 C ILE A 60 2.637 8.569 2.840 1.00 1.00 C ATOM 905 O ILE A 60 3.250 9.621 2.650 1.00 1.00 O ATOM 906 CB ILE A 60 1.717 9.183 5.074 1.00 1.00 C ATOM 907 CG1 ILE A 60 1.388 8.648 6.473 1.00 1.00 C ATOM 908 CG2 ILE A 60 0.431 9.651 4.387 1.00 1.00 C ATOM 909 CD1 ILE A 60 0.984 9.809 7.388 1.00 1.00 C ATOM 0 H ILE A 60 4.131 8.405 5.347 1.00 1.00 H new ATOM 0 HA ILE A 60 1.697 7.210 4.197 1.00 1.00 H new ATOM 0 HB ILE A 60 2.404 10.025 5.154 1.00 1.00 H new ATOM 0 HG12 ILE A 60 0.579 7.920 6.414 1.00 1.00 H new ATOM 0 HG13 ILE A 60 2.253 8.130 6.887 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -0.028 10.445 4.976 1.00 1.00 H new ATOM 0 HG22 ILE A 60 0.667 10.028 3.392 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -0.262 8.814 4.304 1.00 1.00 H new ATOM 0 HD11 ILE A 60 0.751 9.425 8.381 1.00 1.00 H new ATOM 0 HD12 ILE A 60 1.807 10.521 7.458 1.00 1.00 H new ATOM 0 HD13 ILE A 60 0.107 10.308 6.977 1.00 1.00 H new ATOM 921 N ILE A 61 2.173 7.809 1.846 1.00 1.00 N ATOM 922 CA ILE A 61 2.364 8.175 0.438 1.00 1.00 C ATOM 923 C ILE A 61 1.011 8.498 -0.211 1.00 1.00 C ATOM 924 O ILE A 61 0.127 7.642 -0.235 1.00 1.00 O ATOM 925 CB ILE A 61 3.011 7.007 -0.310 1.00 1.00 C ATOM 926 CG1 ILE A 61 4.257 6.521 0.450 1.00 1.00 C ATOM 927 CG2 ILE A 61 3.411 7.455 -1.719 1.00 1.00 C ATOM 928 CD1 ILE A 61 5.214 7.691 0.718 1.00 1.00 C ATOM 0 H ILE A 61 1.663 6.937 1.988 1.00 1.00 H new ATOM 0 HA ILE A 61 3.008 9.053 0.385 1.00 1.00 H new ATOM 0 HB ILE A 61 2.294 6.189 -0.380 1.00 1.00 H new ATOM 0 HG12 ILE A 61 3.959 6.064 1.394 1.00 1.00 H new ATOM 0 HG13 ILE A 61 4.767 5.752 -0.130 1.00 1.00 H new ATOM 0 HG21 ILE A 61 3.871 6.621 -2.249 1.00 1.00 H new ATOM 0 HG22 ILE A 61 2.525 7.785 -2.261 1.00 1.00 H new ATOM 0 HG23 ILE A 61 4.122 8.278 -1.651 1.00 1.00 H new ATOM 0 HD11 ILE A 61 6.090 7.329 1.256 1.00 1.00 H new ATOM 0 HD12 ILE A 61 5.526 8.130 -0.230 1.00 1.00 H new ATOM 0 HD13 ILE A 61 4.706 8.446 1.318 1.00 1.00 H new ATOM 940 N PRO A 62 0.805 9.696 -0.728 1.00 1.00 N ATOM 941 CA PRO A 62 -0.497 10.068 -1.357 1.00 1.00 C ATOM 942 C PRO A 62 -0.694 9.434 -2.735 1.00 1.00 C ATOM 943 O PRO A 62 0.265 9.221 -3.478 1.00 1.00 O ATOM 944 CB PRO A 62 -0.429 11.598 -1.435 1.00 1.00 C ATOM 945 CG PRO A 62 1.026 11.912 -1.560 1.00 1.00 C ATOM 946 CD PRO A 62 1.771 10.816 -0.786 1.00 1.00 C ATOM 0 HA PRO A 62 -1.350 9.706 -0.783 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -0.990 11.975 -2.290 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -0.858 12.058 -0.545 1.00 1.00 H new ATOM 0 HG2 PRO A 62 1.332 11.926 -2.606 1.00 1.00 H new ATOM 0 HG3 PRO A 62 1.248 12.897 -1.150 1.00 1.00 H new ATOM 0 HD2 PRO A 62 2.690 10.524 -1.294 1.00 1.00 H new ATOM 0 HD3 PRO A 62 2.051 11.153 0.212 1.00 1.00 H new ATOM 954 N ILE A 63 -1.952 9.145 -3.063 1.00 1.00 N ATOM 955 CA ILE A 63 -2.291 8.541 -4.349 1.00 1.00 C ATOM 956 C ILE A 63 -2.627 9.622 -5.374 1.00 1.00 C ATOM 957 O ILE A 63 -3.518 10.443 -5.159 1.00 1.00 O ATOM 958 CB ILE A 63 -3.479 7.588 -4.174 1.00 1.00 C ATOM 959 CG1 ILE A 63 -3.028 6.385 -3.335 1.00 1.00 C ATOM 960 CG2 ILE A 63 -3.962 7.099 -5.541 1.00 1.00 C ATOM 961 CD1 ILE A 63 -4.248 5.577 -2.886 1.00 1.00 C ATOM 0 H ILE A 63 -2.753 9.320 -2.456 1.00 1.00 H new ATOM 0 HA ILE A 63 -1.432 7.978 -4.713 1.00 1.00 H new ATOM 0 HB ILE A 63 -4.295 8.110 -3.675 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -2.358 5.754 -3.919 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -2.467 6.727 -2.465 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -4.806 6.422 -5.408 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -4.272 7.952 -6.144 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -3.152 6.573 -6.046 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -3.921 4.724 -2.291 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -4.902 6.209 -2.285 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -4.791 5.221 -3.762 1.00 1.00 H new ATOM 973 N ASN A 64 -1.899 9.616 -6.486 1.00 1.00 N ATOM 974 CA ASN A 64 -2.110 10.598 -7.542 1.00 1.00 C ATOM 975 C ASN A 64 -1.277 10.241 -8.770 1.00 1.00 C ATOM 976 O ASN A 64 -0.844 9.101 -8.926 1.00 1.00 O ATOM 977 CB ASN A 64 -1.729 11.996 -7.049 1.00 1.00 C ATOM 978 CG ASN A 64 -0.245 12.043 -6.707 1.00 1.00 C ATOM 979 OD1 ASN A 64 0.488 11.093 -6.986 1.00 1.00 O ATOM 980 ND2 ASN A 64 0.245 13.098 -6.116 1.00 1.00 N ATOM 0 H ASN A 64 -1.158 8.942 -6.679 1.00 1.00 H new ATOM 0 HA ASN A 64 -3.166 10.592 -7.814 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -1.957 12.736 -7.816 1.00 1.00 H new ATOM 0 HB3 ASN A 64 -2.321 12.255 -6.171 1.00 1.00 H new ATOM 0 HD21 ASN A 64 1.237 13.138 -5.884 1.00 1.00 H new ATOM 0 HD22 ASN A 64 -0.364 13.883 -5.886 1.00 1.00 H new ATOM 987 N SER A 65 -1.063 11.221 -9.639 1.00 1.00 N ATOM 988 CA SER A 65 -0.286 10.993 -10.853 1.00 1.00 C ATOM 989 C SER A 65 1.146 10.571 -10.521 1.00 1.00 C ATOM 990 O SER A 65 1.711 9.700 -11.179 1.00 1.00 O ATOM 991 CB SER A 65 -0.260 12.264 -11.699 1.00 1.00 C ATOM 992 OG SER A 65 0.313 13.322 -10.940 1.00 1.00 O ATOM 0 H SER A 65 -1.412 12.173 -9.529 1.00 1.00 H new ATOM 0 HA SER A 65 -0.762 10.188 -11.412 1.00 1.00 H new ATOM 0 HB2 SER A 65 0.319 12.098 -12.608 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.271 12.529 -12.009 1.00 1.00 H new ATOM 0 HG SER A 65 0.333 14.139 -11.481 1.00 1.00 H new ATOM 998 N HIS A 66 1.731 11.194 -9.503 1.00 1.00 N ATOM 999 CA HIS A 66 3.101 10.871 -9.107 1.00 1.00 C ATOM 1000 C HIS A 66 3.182 9.466 -8.509 1.00 1.00 C ATOM 1001 O HIS A 66 4.193 8.779 -8.654 1.00 1.00 O ATOM 1002 CB HIS A 66 3.614 11.899 -8.095 1.00 1.00 C ATOM 1003 CG HIS A 66 3.745 13.242 -8.764 1.00 1.00 C ATOM 1004 ND1 HIS A 66 4.721 13.504 -9.711 1.00 1.00 N ATOM 1005 CD2 HIS A 66 3.033 14.409 -8.626 1.00 1.00 C ATOM 1006 CE1 HIS A 66 4.573 14.784 -10.105 1.00 1.00 C ATOM 1007 NE2 HIS A 66 3.558 15.381 -9.474 1.00 1.00 N ATOM 0 H HIS A 66 1.285 11.919 -8.941 1.00 1.00 H new ATOM 0 HA HIS A 66 3.727 10.901 -9.999 1.00 1.00 H new ATOM 0 HB2 HIS A 66 2.928 11.967 -7.251 1.00 1.00 H new ATOM 0 HB3 HIS A 66 4.579 11.583 -7.698 1.00 1.00 H new ATOM 0 HD2 HIS A 66 2.194 14.551 -7.961 1.00 1.00 H new ATOM 0 HE1 HIS A 66 5.198 15.268 -10.841 1.00 1.00 H new ATOM 0 HE2 HIS A 66 3.237 16.342 -9.589 1.00 1.00 H new ATOM 1015 N PHE A 67 2.111 9.046 -7.834 1.00 1.00 N ATOM 1016 CA PHE A 67 2.059 7.725 -7.210 1.00 1.00 C ATOM 1017 C PHE A 67 1.374 6.734 -8.142 1.00 1.00 C ATOM 1018 O PHE A 67 0.253 6.966 -8.594 1.00 1.00 O ATOM 1019 CB PHE A 67 1.288 7.814 -5.884 1.00 1.00 C ATOM 1020 CG PHE A 67 0.887 6.432 -5.408 1.00 1.00 C ATOM 1021 CD1 PHE A 67 -0.279 5.837 -5.907 1.00 1.00 C ATOM 1022 CD2 PHE A 67 1.674 5.745 -4.476 1.00 1.00 C ATOM 1023 CE1 PHE A 67 -0.658 4.560 -5.478 1.00 1.00 C ATOM 1024 CE2 PHE A 67 1.295 4.467 -4.046 1.00 1.00 C ATOM 1025 CZ PHE A 67 0.129 3.875 -4.547 1.00 1.00 C ATOM 0 H PHE A 67 1.267 9.604 -7.706 1.00 1.00 H new ATOM 0 HA PHE A 67 3.075 7.380 -7.015 1.00 1.00 H new ATOM 0 HB2 PHE A 67 1.906 8.300 -5.129 1.00 1.00 H new ATOM 0 HB3 PHE A 67 0.400 8.432 -6.014 1.00 1.00 H new ATOM 0 HD1 PHE A 67 -0.888 6.366 -6.625 1.00 1.00 H new ATOM 0 HD2 PHE A 67 2.573 6.200 -4.089 1.00 1.00 H new ATOM 0 HE1 PHE A 67 -1.557 4.104 -5.865 1.00 1.00 H new ATOM 0 HE2 PHE A 67 1.903 3.938 -3.327 1.00 1.00 H new ATOM 0 HZ PHE A 67 -0.162 2.890 -4.214 1.00 1.00 H new ATOM 1035 N ARG A 68 2.051 5.622 -8.418 1.00 1.00 N ATOM 1036 CA ARG A 68 1.496 4.590 -9.290 1.00 1.00 C ATOM 1037 C ARG A 68 1.767 3.200 -8.727 1.00 1.00 C ATOM 1038 O ARG A 68 2.806 2.951 -8.116 1.00 1.00 O ATOM 1039 CB ARG A 68 2.097 4.701 -10.688 1.00 1.00 C ATOM 1040 CG ARG A 68 1.584 5.968 -11.373 1.00 1.00 C ATOM 1041 CD ARG A 68 2.175 6.044 -12.780 1.00 1.00 C ATOM 1042 NE ARG A 68 1.692 7.231 -13.482 1.00 1.00 N ATOM 1043 CZ ARG A 68 2.312 8.403 -13.368 1.00 1.00 C ATOM 1044 NH1 ARG A 68 3.335 8.524 -12.567 1.00 1.00 N ATOM 1045 NH2 ARG A 68 1.890 9.432 -14.049 1.00 1.00 N ATOM 0 H ARG A 68 2.980 5.413 -8.053 1.00 1.00 H new ATOM 0 HA ARG A 68 0.418 4.740 -9.347 1.00 1.00 H new ATOM 0 HB2 ARG A 68 3.185 4.726 -10.625 1.00 1.00 H new ATOM 0 HB3 ARG A 68 1.831 3.824 -11.279 1.00 1.00 H new ATOM 0 HG2 ARG A 68 0.495 5.956 -11.422 1.00 1.00 H new ATOM 0 HG3 ARG A 68 1.867 6.849 -10.797 1.00 1.00 H new ATOM 0 HD2 ARG A 68 3.263 6.068 -12.721 1.00 1.00 H new ATOM 0 HD3 ARG A 68 1.906 5.149 -13.341 1.00 1.00 H new ATOM 0 HE ARG A 68 0.863 7.160 -14.071 1.00 1.00 H new ATOM 0 HH11 ARG A 68 3.659 7.721 -12.029 1.00 1.00 H new ATOM 0 HH12 ARG A 68 3.811 9.422 -12.479 1.00 1.00 H new ATOM 0 HH21 ARG A 68 1.085 9.338 -14.669 1.00 1.00 H new ATOM 0 HH22 ARG A 68 2.365 10.331 -13.962 1.00 1.00 H new ATOM 1059 N CYS A 69 0.816 2.296 -8.951 1.00 1.00 N ATOM 1060 CA CYS A 69 0.923 0.910 -8.487 1.00 1.00 C ATOM 1061 C CYS A 69 0.811 -0.027 -9.686 1.00 1.00 C ATOM 1062 O CYS A 69 -0.215 -0.044 -10.365 1.00 1.00 O ATOM 1063 CB CYS A 69 -0.208 0.621 -7.489 1.00 1.00 C ATOM 1064 SG CYS A 69 -0.446 -1.167 -7.308 1.00 1.00 S ATOM 0 H CYS A 69 -0.047 2.499 -9.456 1.00 1.00 H new ATOM 0 HA CYS A 69 1.883 0.754 -7.995 1.00 1.00 H new ATOM 0 HB2 CYS A 69 0.030 1.063 -6.521 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -1.133 1.085 -7.832 1.00 1.00 H new ATOM 0 HG CYS A 69 -1.404 -1.393 -6.459 1.00 1.00 H new ATOM 1070 N VAL A 70 1.867 -0.802 -9.954 1.00 1.00 N ATOM 1071 CA VAL A 70 1.855 -1.728 -11.093 1.00 1.00 C ATOM 1072 C VAL A 70 2.005 -3.166 -10.612 1.00 1.00 C ATOM 1073 O VAL A 70 2.956 -3.497 -9.905 1.00 1.00 O ATOM 1074 CB VAL A 70 3.001 -1.373 -12.048 1.00 1.00 C ATOM 1075 CG1 VAL A 70 2.977 0.132 -12.330 1.00 1.00 C ATOM 1076 CG2 VAL A 70 4.342 -1.751 -11.411 1.00 1.00 C ATOM 0 H VAL A 70 2.729 -0.808 -9.408 1.00 1.00 H new ATOM 0 HA VAL A 70 0.903 -1.637 -11.616 1.00 1.00 H new ATOM 0 HB VAL A 70 2.878 -1.924 -12.981 1.00 1.00 H new ATOM 0 HG11 VAL A 70 3.791 0.388 -13.009 1.00 1.00 H new ATOM 0 HG12 VAL A 70 2.025 0.401 -12.787 1.00 1.00 H new ATOM 0 HG13 VAL A 70 3.099 0.679 -11.395 1.00 1.00 H new ATOM 0 HG21 VAL A 70 5.153 -1.497 -12.093 1.00 1.00 H new ATOM 0 HG22 VAL A 70 4.468 -1.203 -10.477 1.00 1.00 H new ATOM 0 HG23 VAL A 70 4.360 -2.822 -11.209 1.00 1.00 H new ATOM 1086 N GLN A 71 1.059 -4.013 -11.004 1.00 1.00 N ATOM 1087 CA GLN A 71 1.086 -5.416 -10.608 1.00 1.00 C ATOM 1088 C GLN A 71 1.989 -6.216 -11.542 1.00 1.00 C ATOM 1089 O GLN A 71 1.794 -6.220 -12.758 1.00 1.00 O ATOM 1090 CB GLN A 71 -0.336 -5.982 -10.642 1.00 1.00 C ATOM 1091 CG GLN A 71 -0.357 -7.369 -9.998 1.00 1.00 C ATOM 1092 CD GLN A 71 -0.099 -7.252 -8.501 1.00 1.00 C ATOM 1093 OE1 GLN A 71 0.951 -7.669 -8.018 1.00 1.00 O ATOM 1094 NE2 GLN A 71 -1.000 -6.706 -7.732 1.00 1.00 N ATOM 0 H GLN A 71 0.268 -3.754 -11.593 1.00 1.00 H new ATOM 0 HA GLN A 71 1.483 -5.492 -9.596 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -1.016 -5.315 -10.112 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -0.688 -6.044 -11.672 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -1.321 -7.846 -10.173 1.00 1.00 H new ATOM 0 HG3 GLN A 71 0.401 -8.004 -10.457 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -1.871 -6.360 -8.134 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -0.833 -6.625 -6.729 1.00 1.00 H new ATOM 1103 N GLU A 72 2.977 -6.893 -10.966 1.00 1.00 N ATOM 1104 CA GLU A 72 3.908 -7.696 -11.756 1.00 1.00 C ATOM 1105 C GLU A 72 4.456 -6.896 -12.932 1.00 1.00 C ATOM 1106 O GLU A 72 5.363 -6.078 -12.774 1.00 1.00 O ATOM 1107 CB GLU A 72 3.209 -8.957 -12.267 1.00 1.00 C ATOM 1108 CG GLU A 72 2.897 -9.877 -11.086 1.00 1.00 C ATOM 1109 CD GLU A 72 2.115 -11.096 -11.560 1.00 1.00 C ATOM 1110 OE1 GLU A 72 1.884 -11.201 -12.754 1.00 1.00 O ATOM 1111 OE2 GLU A 72 1.758 -11.906 -10.722 1.00 1.00 O ATOM 0 H GLU A 72 3.155 -6.903 -9.962 1.00 1.00 H new ATOM 0 HA GLU A 72 4.742 -7.980 -11.114 1.00 1.00 H new ATOM 0 HB2 GLU A 72 2.289 -8.691 -12.788 1.00 1.00 H new ATOM 0 HB3 GLU A 72 3.845 -9.473 -12.986 1.00 1.00 H new ATOM 0 HG2 GLU A 72 3.824 -10.194 -10.608 1.00 1.00 H new ATOM 0 HG3 GLU A 72 2.321 -9.335 -10.336 1.00 1.00 H new ATOM 1229 N ASP A 80 -5.050 -4.590 -11.996 1.00 1.00 N ATOM 1230 CA ASP A 80 -4.496 -5.255 -10.813 1.00 1.00 C ATOM 1231 C ASP A 80 -5.324 -6.491 -10.472 1.00 1.00 C ATOM 1232 O ASP A 80 -4.785 -7.524 -10.078 1.00 1.00 O ATOM 1233 CB ASP A 80 -4.502 -4.290 -9.626 1.00 1.00 C ATOM 1234 CG ASP A 80 -3.431 -3.221 -9.814 1.00 1.00 C ATOM 1235 OD1 ASP A 80 -2.535 -3.441 -10.613 1.00 1.00 O ATOM 1236 OD2 ASP A 80 -3.520 -2.200 -9.153 1.00 1.00 O ATOM 0 HA ASP A 80 -3.471 -5.559 -11.026 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -5.482 -3.822 -9.533 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -4.322 -4.838 -8.701 1.00 1.00 H new ATOM 1241 N ILE A 81 -6.638 -6.372 -10.628 1.00 1.00 N ATOM 1242 CA ILE A 81 -7.546 -7.478 -10.341 1.00 1.00 C ATOM 1243 C ILE A 81 -7.290 -8.648 -11.292 1.00 1.00 C ATOM 1244 O ILE A 81 -7.271 -9.807 -10.876 1.00 1.00 O ATOM 1245 CB ILE A 81 -8.997 -7.004 -10.473 1.00 1.00 C ATOM 1246 CG1 ILE A 81 -9.302 -6.011 -9.349 1.00 1.00 C ATOM 1247 CG2 ILE A 81 -9.950 -8.199 -10.371 1.00 1.00 C ATOM 1248 CD1 ILE A 81 -10.649 -5.337 -9.612 1.00 1.00 C ATOM 0 H ILE A 81 -7.099 -5.521 -10.951 1.00 1.00 H new ATOM 0 HA ILE A 81 -7.368 -7.819 -9.321 1.00 1.00 H new ATOM 0 HB ILE A 81 -9.134 -6.523 -11.441 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -9.324 -6.528 -8.389 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -8.514 -5.260 -9.289 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -10.979 -7.853 -10.466 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -9.731 -8.908 -11.169 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -9.819 -8.687 -9.405 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -10.865 -4.630 -8.811 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -10.611 -4.806 -10.563 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -11.433 -6.093 -9.650 1.00 1.00 H new ATOM 1260 N ALA A 82 -7.101 -8.333 -12.569 1.00 1.00 N ATOM 1261 CA ALA A 82 -6.855 -9.359 -13.581 1.00 1.00 C ATOM 1262 C ALA A 82 -5.799 -10.357 -13.109 1.00 1.00 C ATOM 1263 O ALA A 82 -5.605 -11.404 -13.727 1.00 1.00 O ATOM 1264 CB ALA A 82 -6.391 -8.704 -14.882 1.00 1.00 C ATOM 0 H ALA A 82 -7.113 -7.379 -12.929 1.00 1.00 H new ATOM 0 HA ALA A 82 -7.788 -9.897 -13.750 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -6.209 -9.474 -15.632 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -7.162 -8.022 -15.241 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -5.471 -8.149 -14.702 1.00 1.00 H new ATOM 1270 N SER A 83 -5.115 -10.026 -12.014 1.00 1.00 N ATOM 1271 CA SER A 83 -4.075 -10.897 -11.463 1.00 1.00 C ATOM 1272 C SER A 83 -4.255 -11.042 -9.960 1.00 1.00 C ATOM 1273 O SER A 83 -4.492 -10.064 -9.253 1.00 1.00 O ATOM 1274 CB SER A 83 -2.698 -10.306 -11.756 1.00 1.00 C ATOM 1275 OG SER A 83 -1.703 -11.079 -11.095 1.00 1.00 O ATOM 0 H SER A 83 -5.261 -9.163 -11.491 1.00 1.00 H new ATOM 0 HA SER A 83 -4.156 -11.879 -11.929 1.00 1.00 H new ATOM 0 HB2 SER A 83 -2.514 -10.298 -12.830 1.00 1.00 H new ATOM 0 HB3 SER A 83 -2.655 -9.271 -11.418 1.00 1.00 H new ATOM 0 HG SER A 83 -0.818 -10.703 -11.283 1.00 1.00 H new ATOM 1281 N ASN A 84 -4.141 -12.278 -9.479 1.00 1.00 N ATOM 1282 CA ASN A 84 -4.293 -12.565 -8.056 1.00 1.00 C ATOM 1283 C ASN A 84 -3.370 -13.709 -7.656 1.00 1.00 C ATOM 1284 O ASN A 84 -2.589 -14.198 -8.474 1.00 1.00 O ATOM 1285 CB ASN A 84 -5.747 -12.947 -7.761 1.00 1.00 C ATOM 1286 CG ASN A 84 -6.657 -11.730 -7.910 1.00 1.00 C ATOM 1287 OD1 ASN A 84 -6.205 -10.541 -7.617 1.00 1.00 O flip ATOM 1288 ND2 ASN A 84 -7.816 -11.869 -8.300 1.00 1.00 N flip ATOM 0 H ASN A 84 -3.944 -13.097 -10.055 1.00 1.00 H new ATOM 0 HA ASN A 84 -4.029 -11.677 -7.482 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -6.068 -13.735 -8.442 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -5.827 -13.347 -6.750 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -8.169 -12.798 -8.529 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -8.423 -11.055 -8.394 1.00 1.00 H new ATOM 1295 N SER A 85 -3.450 -14.125 -6.397 1.00 1.00 N ATOM 1296 CA SER A 85 -2.603 -15.208 -5.906 1.00 1.00 C ATOM 1297 C SER A 85 -1.163 -14.716 -5.772 1.00 1.00 C ATOM 1298 O SER A 85 -0.381 -14.797 -6.720 1.00 1.00 O ATOM 1299 CB SER A 85 -2.668 -16.409 -6.860 1.00 1.00 C ATOM 1300 OG SER A 85 -2.399 -17.599 -6.133 1.00 1.00 O ATOM 0 H SER A 85 -4.086 -13.734 -5.703 1.00 1.00 H new ATOM 0 HA SER A 85 -2.963 -15.525 -4.927 1.00 1.00 H new ATOM 0 HB2 SER A 85 -3.653 -16.467 -7.324 1.00 1.00 H new ATOM 0 HB3 SER A 85 -1.943 -16.289 -7.665 1.00 1.00 H new ATOM 0 HG SER A 85 -2.441 -18.369 -6.738 1.00 1.00 H new ATOM 1306 N GLY A 86 -0.825 -14.184 -4.601 1.00 1.00 N ATOM 1307 CA GLY A 86 0.520 -13.661 -4.382 1.00 1.00 C ATOM 1308 C GLY A 86 0.791 -12.540 -5.376 1.00 1.00 C ATOM 1309 O GLY A 86 1.411 -12.754 -6.418 1.00 1.00 O ATOM 0 H GLY A 86 -1.452 -14.104 -3.801 1.00 1.00 H new ATOM 0 HA2 GLY A 86 0.617 -13.289 -3.362 1.00 1.00 H new ATOM 0 HA3 GLY A 86 1.256 -14.456 -4.503 1.00 1.00 H new ATOM 1313 N CYS A 87 0.280 -11.349 -5.067 1.00 1.00 N ATOM 1314 CA CYS A 87 0.425 -10.194 -5.960 1.00 1.00 C ATOM 1315 C CYS A 87 1.645 -9.339 -5.599 1.00 1.00 C ATOM 1316 O CYS A 87 1.841 -8.983 -4.438 1.00 1.00 O ATOM 1317 CB CYS A 87 -0.851 -9.314 -5.885 1.00 1.00 C ATOM 1318 SG CYS A 87 -2.210 -10.245 -5.126 1.00 1.00 S ATOM 0 H CYS A 87 -0.237 -11.156 -4.209 1.00 1.00 H new ATOM 0 HA CYS A 87 0.567 -10.576 -6.971 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -0.648 -8.414 -5.304 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -1.137 -8.989 -6.885 1.00 1.00 H new ATOM 1323 N LYS A 88 2.429 -8.969 -6.617 1.00 1.00 N ATOM 1324 CA LYS A 88 3.595 -8.103 -6.422 1.00 1.00 C ATOM 1325 C LYS A 88 3.303 -6.742 -7.041 1.00 1.00 C ATOM 1326 O LYS A 88 3.168 -6.628 -8.259 1.00 1.00 O ATOM 1327 CB LYS A 88 4.837 -8.690 -7.100 1.00 1.00 C ATOM 1328 CG LYS A 88 5.226 -10.023 -6.454 1.00 1.00 C ATOM 1329 CD LYS A 88 6.433 -10.596 -7.201 1.00 1.00 C ATOM 1330 CE LYS A 88 6.842 -11.937 -6.588 1.00 1.00 C ATOM 1331 NZ LYS A 88 8.005 -12.493 -7.340 1.00 1.00 N ATOM 0 H LYS A 88 2.277 -9.256 -7.584 1.00 1.00 H new ATOM 0 HA LYS A 88 3.787 -8.015 -5.353 1.00 1.00 H new ATOM 0 HB2 LYS A 88 4.642 -8.838 -8.162 1.00 1.00 H new ATOM 0 HB3 LYS A 88 5.666 -7.987 -7.023 1.00 1.00 H new ATOM 0 HG2 LYS A 88 5.468 -9.877 -5.401 1.00 1.00 H new ATOM 0 HG3 LYS A 88 4.390 -10.721 -6.495 1.00 1.00 H new ATOM 0 HD2 LYS A 88 6.189 -10.728 -8.255 1.00 1.00 H new ATOM 0 HD3 LYS A 88 7.267 -9.896 -7.152 1.00 1.00 H new ATOM 0 HE2 LYS A 88 7.104 -11.805 -5.538 1.00 1.00 H new ATOM 0 HE3 LYS A 88 6.006 -12.635 -6.622 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 8.284 -13.405 -6.924 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 7.739 -12.634 -8.336 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 8.803 -11.829 -7.285 1.00 1.00 H new ATOM 1345 N ILE A 89 3.198 -5.711 -6.201 1.00 1.00 N ATOM 1346 CA ILE A 89 2.915 -4.349 -6.684 1.00 1.00 C ATOM 1347 C ILE A 89 4.074 -3.422 -6.348 1.00 1.00 C ATOM 1348 O ILE A 89 4.522 -3.365 -5.203 1.00 1.00 O ATOM 1349 CB ILE A 89 1.628 -3.811 -6.039 1.00 1.00 C ATOM 1350 CG1 ILE A 89 1.756 -3.826 -4.489 1.00 1.00 C ATOM 1351 CG2 ILE A 89 0.443 -4.678 -6.485 1.00 1.00 C ATOM 1352 CD1 ILE A 89 2.018 -2.405 -3.958 1.00 1.00 C ATOM 0 H ILE A 89 3.303 -5.787 -5.189 1.00 1.00 H new ATOM 0 HA ILE A 89 2.785 -4.387 -7.766 1.00 1.00 H new ATOM 0 HB ILE A 89 1.464 -2.782 -6.358 1.00 1.00 H new ATOM 0 HG12 ILE A 89 0.843 -4.224 -4.046 1.00 1.00 H new ATOM 0 HG13 ILE A 89 2.569 -4.488 -4.191 1.00 1.00 H new ATOM 0 HG21 ILE A 89 -0.474 -4.302 -6.031 1.00 1.00 H new ATOM 0 HG22 ILE A 89 0.353 -4.640 -7.571 1.00 1.00 H new ATOM 0 HG23 ILE A 89 0.608 -5.709 -6.171 1.00 1.00 H new ATOM 0 HD11 ILE A 89 2.105 -2.433 -2.872 1.00 1.00 H new ATOM 0 HD12 ILE A 89 2.944 -2.021 -4.387 1.00 1.00 H new ATOM 0 HD13 ILE A 89 1.191 -1.753 -4.239 1.00 1.00 H new ATOM 1364 N ARG A 90 4.566 -2.695 -7.351 1.00 1.00 N ATOM 1365 CA ARG A 90 5.687 -1.775 -7.145 1.00 1.00 C ATOM 1366 C ARG A 90 5.171 -0.344 -7.091 1.00 1.00 C ATOM 1367 O ARG A 90 4.201 -0.002 -7.767 1.00 1.00 O ATOM 1368 CB ARG A 90 6.689 -1.911 -8.289 1.00 1.00 C ATOM 1369 CG ARG A 90 7.092 -3.376 -8.424 1.00 1.00 C ATOM 1370 CD ARG A 90 8.020 -3.540 -9.622 1.00 1.00 C ATOM 1371 NE ARG A 90 8.365 -4.949 -9.796 1.00 1.00 N ATOM 1372 CZ ARG A 90 9.373 -5.332 -10.576 1.00 1.00 C ATOM 1373 NH1 ARG A 90 10.121 -4.441 -11.169 1.00 1.00 N ATOM 1374 NH2 ARG A 90 9.622 -6.602 -10.738 1.00 1.00 N ATOM 0 H ARG A 90 4.211 -2.724 -8.307 1.00 1.00 H new ATOM 0 HA ARG A 90 6.180 -2.020 -6.204 1.00 1.00 H new ATOM 0 HB2 ARG A 90 6.248 -1.554 -9.220 1.00 1.00 H new ATOM 0 HB3 ARG A 90 7.567 -1.295 -8.096 1.00 1.00 H new ATOM 0 HG2 ARG A 90 7.591 -3.712 -7.515 1.00 1.00 H new ATOM 0 HG3 ARG A 90 6.206 -3.998 -8.549 1.00 1.00 H new ATOM 0 HD2 ARG A 90 7.536 -3.162 -10.522 1.00 1.00 H new ATOM 0 HD3 ARG A 90 8.925 -2.951 -9.475 1.00 1.00 H new ATOM 0 HE ARG A 90 7.819 -5.658 -9.307 1.00 1.00 H new ATOM 0 HH11 ARG A 90 9.934 -3.447 -11.035 1.00 1.00 H new ATOM 0 HH12 ARG A 90 10.893 -4.739 -11.766 1.00 1.00 H new ATOM 0 HH21 ARG A 90 9.045 -7.299 -10.267 1.00 1.00 H new ATOM 0 HH22 ARG A 90 10.394 -6.898 -11.335 1.00 1.00 H new ATOM 1388 N VAL A 91 5.817 0.487 -6.278 1.00 1.00 N ATOM 1389 CA VAL A 91 5.406 1.886 -6.129 1.00 1.00 C ATOM 1390 C VAL A 91 6.557 2.824 -6.475 1.00 1.00 C ATOM 1391 O VAL A 91 7.686 2.634 -6.021 1.00 1.00 O ATOM 1392 CB VAL A 91 4.961 2.138 -4.686 1.00 1.00 C ATOM 1393 CG1 VAL A 91 4.426 3.569 -4.545 1.00 1.00 C ATOM 1394 CG2 VAL A 91 3.859 1.145 -4.317 1.00 1.00 C ATOM 0 H VAL A 91 6.624 0.221 -5.713 1.00 1.00 H new ATOM 0 HA VAL A 91 4.578 2.080 -6.811 1.00 1.00 H new ATOM 0 HB VAL A 91 5.813 2.008 -4.019 1.00 1.00 H new ATOM 0 HG11 VAL A 91 4.112 3.740 -3.515 1.00 1.00 H new ATOM 0 HG12 VAL A 91 5.211 4.278 -4.807 1.00 1.00 H new ATOM 0 HG13 VAL A 91 3.575 3.707 -5.212 1.00 1.00 H new ATOM 0 HG21 VAL A 91 3.539 1.321 -3.290 1.00 1.00 H new ATOM 0 HG22 VAL A 91 3.011 1.277 -4.989 1.00 1.00 H new ATOM 0 HG23 VAL A 91 4.240 0.128 -4.409 1.00 1.00 H new ATOM 1404 N GLN A 92 6.257 3.846 -7.272 1.00 1.00 N ATOM 1405 CA GLN A 92 7.260 4.833 -7.675 1.00 1.00 C ATOM 1406 C GLN A 92 6.682 6.238 -7.580 1.00 1.00 C ATOM 1407 O GLN A 92 5.532 6.476 -7.954 1.00 1.00 O ATOM 1408 CB GLN A 92 7.719 4.556 -9.108 1.00 1.00 C ATOM 1409 CG GLN A 92 6.519 4.632 -10.053 1.00 1.00 C ATOM 1410 CD GLN A 92 6.942 4.236 -11.462 1.00 1.00 C ATOM 1411 OE1 GLN A 92 8.061 4.533 -11.885 1.00 1.00 O ATOM 1412 NE2 GLN A 92 6.110 3.575 -12.219 1.00 1.00 N ATOM 0 H GLN A 92 5.326 4.014 -7.653 1.00 1.00 H new ATOM 0 HA GLN A 92 8.116 4.757 -7.005 1.00 1.00 H new ATOM 0 HB2 GLN A 92 8.476 5.282 -9.405 1.00 1.00 H new ATOM 0 HB3 GLN A 92 8.181 3.571 -9.169 1.00 1.00 H new ATOM 0 HG2 GLN A 92 5.727 3.971 -9.702 1.00 1.00 H new ATOM 0 HG3 GLN A 92 6.112 5.643 -10.057 1.00 1.00 H new ATOM 0 HE21 GLN A 92 5.184 3.330 -11.867 1.00 1.00 H new ATOM 0 HE22 GLN A 92 6.385 3.303 -13.163 1.00 1.00 H new ATOM 1421 N GLY A 93 7.480 7.167 -7.068 1.00 1.00 N ATOM 1422 CA GLY A 93 7.036 8.547 -6.921 1.00 1.00 C ATOM 1423 C GLY A 93 8.129 9.402 -6.295 1.00 1.00 C ATOM 1424 O GLY A 93 9.246 8.937 -6.073 1.00 1.00 O ATOM 0 H GLY A 93 8.433 6.991 -6.749 1.00 1.00 H new ATOM 0 HA2 GLY A 93 6.764 8.952 -7.896 1.00 1.00 H new ATOM 0 HA3 GLY A 93 6.141 8.582 -6.300 1.00 1.00 H new ATOM 1483 N ARG A 97 11.980 6.358 -4.468 1.00 1.00 N ATOM 1484 CA ARG A 97 12.506 6.090 -5.805 1.00 1.00 C ATOM 1485 C ARG A 97 11.937 4.785 -6.359 1.00 1.00 C ATOM 1486 O ARG A 97 11.484 4.737 -7.502 1.00 1.00 O ATOM 1487 CB ARG A 97 14.041 6.030 -5.772 1.00 1.00 C ATOM 1488 CG ARG A 97 14.511 4.772 -5.036 1.00 1.00 C ATOM 1489 CD ARG A 97 16.025 4.831 -4.819 1.00 1.00 C ATOM 1490 NE ARG A 97 16.476 3.600 -4.177 1.00 1.00 N ATOM 1491 CZ ARG A 97 16.475 3.465 -2.853 1.00 1.00 C ATOM 1492 NH1 ARG A 97 16.134 4.469 -2.089 1.00 1.00 N ATOM 1493 NH2 ARG A 97 16.821 2.329 -2.316 1.00 1.00 N ATOM 0 HA ARG A 97 12.200 6.904 -6.463 1.00 1.00 H new ATOM 0 HB2 ARG A 97 14.433 6.032 -6.789 1.00 1.00 H new ATOM 0 HB3 ARG A 97 14.435 6.917 -5.277 1.00 1.00 H new ATOM 0 HG2 ARG A 97 14.000 4.689 -4.077 1.00 1.00 H new ATOM 0 HG3 ARG A 97 14.252 3.884 -5.613 1.00 1.00 H new ATOM 0 HD2 ARG A 97 16.534 4.963 -5.774 1.00 1.00 H new ATOM 0 HD3 ARG A 97 16.281 5.691 -4.200 1.00 1.00 H new ATOM 0 HE ARG A 97 16.799 2.825 -4.757 1.00 1.00 H new ATOM 0 HH11 ARG A 97 15.867 5.360 -2.507 1.00 1.00 H new ATOM 0 HH12 ARG A 97 16.135 4.361 -1.075 1.00 1.00 H new ATOM 0 HH21 ARG A 97 17.092 1.546 -2.910 1.00 1.00 H new ATOM 0 HH22 ARG A 97 16.821 2.223 -1.301 1.00 1.00 H new ATOM 1507 N GLU A 98 11.954 3.737 -5.539 1.00 1.00 N ATOM 1508 CA GLU A 98 11.434 2.439 -5.955 1.00 1.00 C ATOM 1509 C GLU A 98 11.465 1.459 -4.786 1.00 1.00 C ATOM 1510 O GLU A 98 12.522 1.185 -4.220 1.00 1.00 O ATOM 1511 CB GLU A 98 12.270 1.881 -7.117 1.00 1.00 C ATOM 1512 CG GLU A 98 11.609 0.616 -7.676 1.00 1.00 C ATOM 1513 CD GLU A 98 10.308 0.976 -8.389 1.00 1.00 C ATOM 1514 OE1 GLU A 98 10.056 2.156 -8.566 1.00 1.00 O ATOM 1515 OE2 GLU A 98 9.586 0.063 -8.753 1.00 1.00 O ATOM 0 H GLU A 98 12.320 3.761 -4.587 1.00 1.00 H new ATOM 0 HA GLU A 98 10.403 2.569 -6.285 1.00 1.00 H new ATOM 0 HB2 GLU A 98 12.362 2.631 -7.903 1.00 1.00 H new ATOM 0 HB3 GLU A 98 13.279 1.653 -6.774 1.00 1.00 H new ATOM 0 HG2 GLU A 98 12.287 0.118 -8.369 1.00 1.00 H new ATOM 0 HG3 GLU A 98 11.407 -0.086 -6.867 1.00 1.00 H new ATOM 1522 N ARG A 99 10.294 0.933 -4.439 1.00 1.00 N ATOM 1523 CA ARG A 99 10.171 -0.031 -3.342 1.00 1.00 C ATOM 1524 C ARG A 99 9.210 -1.143 -3.765 1.00 1.00 C ATOM 1525 O ARG A 99 8.077 -0.868 -4.156 1.00 1.00 O ATOM 1526 CB ARG A 99 9.627 0.674 -2.095 1.00 1.00 C ATOM 1527 CG ARG A 99 10.602 1.770 -1.654 1.00 1.00 C ATOM 1528 CD ARG A 99 10.006 2.536 -0.472 1.00 1.00 C ATOM 1529 NE ARG A 99 10.065 1.724 0.735 1.00 1.00 N ATOM 1530 CZ ARG A 99 9.530 2.146 1.876 1.00 1.00 C ATOM 1531 NH1 ARG A 99 8.931 3.304 1.928 1.00 1.00 N ATOM 1532 NH2 ARG A 99 9.603 1.400 2.943 1.00 1.00 N ATOM 0 H ARG A 99 9.413 1.157 -4.901 1.00 1.00 H new ATOM 0 HA ARG A 99 11.148 -0.456 -3.112 1.00 1.00 H new ATOM 0 HB2 ARG A 99 8.650 1.107 -2.308 1.00 1.00 H new ATOM 0 HB3 ARG A 99 9.487 -0.047 -1.290 1.00 1.00 H new ATOM 0 HG2 ARG A 99 11.558 1.329 -1.371 1.00 1.00 H new ATOM 0 HG3 ARG A 99 10.798 2.452 -2.481 1.00 1.00 H new ATOM 0 HD2 ARG A 99 10.552 3.467 -0.320 1.00 1.00 H new ATOM 0 HD3 ARG A 99 8.972 2.805 -0.688 1.00 1.00 H new ATOM 0 HE ARG A 99 10.525 0.814 0.704 1.00 1.00 H new ATOM 0 HH11 ARG A 99 8.873 3.886 1.092 1.00 1.00 H new ATOM 0 HH12 ARG A 99 8.521 3.627 2.804 1.00 1.00 H new ATOM 0 HH21 ARG A 99 10.070 0.494 2.901 1.00 1.00 H new ATOM 0 HH22 ARG A 99 9.193 1.722 3.820 1.00 1.00 H new ATOM 1546 N ARG A 100 9.662 -2.398 -3.706 1.00 1.00 N ATOM 1547 CA ARG A 100 8.818 -3.526 -4.111 1.00 1.00 C ATOM 1548 C ARG A 100 7.971 -4.029 -2.945 1.00 1.00 C ATOM 1549 O ARG A 100 8.377 -3.946 -1.786 1.00 1.00 O ATOM 1550 CB ARG A 100 9.683 -4.664 -4.657 1.00 1.00 C ATOM 1551 CG ARG A 100 10.444 -4.166 -5.890 1.00 1.00 C ATOM 1552 CD ARG A 100 11.359 -5.269 -6.432 1.00 1.00 C ATOM 1553 NE ARG A 100 10.568 -6.380 -6.958 1.00 1.00 N ATOM 1554 CZ ARG A 100 11.156 -7.457 -7.472 1.00 1.00 C ATOM 1555 NH1 ARG A 100 12.437 -7.446 -7.726 1.00 1.00 N ATOM 1556 NH2 ARG A 100 10.443 -8.506 -7.773 1.00 1.00 N ATOM 0 H ARG A 100 10.595 -2.658 -3.386 1.00 1.00 H new ATOM 0 HA ARG A 100 8.146 -3.178 -4.895 1.00 1.00 H new ATOM 0 HB2 ARG A 100 10.384 -5.003 -3.894 1.00 1.00 H new ATOM 0 HB3 ARG A 100 9.059 -5.518 -4.920 1.00 1.00 H new ATOM 0 HG2 ARG A 100 9.738 -3.858 -6.661 1.00 1.00 H new ATOM 0 HG3 ARG A 100 11.036 -3.288 -5.630 1.00 1.00 H new ATOM 0 HD2 ARG A 100 11.998 -4.866 -7.218 1.00 1.00 H new ATOM 0 HD3 ARG A 100 12.016 -5.626 -5.639 1.00 1.00 H new ATOM 0 HE ARG A 100 9.550 -6.329 -6.931 1.00 1.00 H new ATOM 0 HH11 ARG A 100 12.989 -6.611 -7.530 1.00 1.00 H new ATOM 0 HH12 ARG A 100 12.886 -8.273 -8.120 1.00 1.00 H new ATOM 0 HH21 ARG A 100 9.435 -8.500 -7.614 1.00 1.00 H new ATOM 0 HH22 ARG A 100 10.893 -9.332 -8.167 1.00 1.00 H new ATOM 1570 N PHE A 101 6.784 -4.550 -3.266 1.00 1.00 N ATOM 1571 CA PHE A 101 5.870 -5.068 -2.243 1.00 1.00 C ATOM 1572 C PHE A 101 5.181 -6.338 -2.742 1.00 1.00 C ATOM 1573 O PHE A 101 4.932 -6.487 -3.938 1.00 1.00 O ATOM 1574 CB PHE A 101 4.809 -4.018 -1.909 1.00 1.00 C ATOM 1575 CG PHE A 101 5.465 -2.757 -1.401 1.00 1.00 C ATOM 1576 CD1 PHE A 101 5.841 -2.649 -0.056 1.00 1.00 C ATOM 1577 CD2 PHE A 101 5.690 -1.689 -2.277 1.00 1.00 C ATOM 1578 CE1 PHE A 101 6.443 -1.472 0.409 1.00 1.00 C ATOM 1579 CE2 PHE A 101 6.292 -0.514 -1.813 1.00 1.00 C ATOM 1580 CZ PHE A 101 6.669 -0.405 -0.468 1.00 1.00 C ATOM 0 H PHE A 101 6.434 -4.625 -4.221 1.00 1.00 H new ATOM 0 HA PHE A 101 6.448 -5.300 -1.349 1.00 1.00 H new ATOM 0 HB2 PHE A 101 4.215 -3.796 -2.796 1.00 1.00 H new ATOM 0 HB3 PHE A 101 4.124 -4.409 -1.156 1.00 1.00 H new ATOM 0 HD1 PHE A 101 5.667 -3.472 0.622 1.00 1.00 H new ATOM 0 HD2 PHE A 101 5.398 -1.772 -3.314 1.00 1.00 H new ATOM 0 HE1 PHE A 101 6.733 -1.388 1.446 1.00 1.00 H new ATOM 0 HE2 PHE A 101 6.466 0.308 -2.491 1.00 1.00 H new ATOM 0 HZ PHE A 101 7.133 0.501 -0.108 1.00 1.00 H new ATOM 1590 N GLU A 102 4.872 -7.250 -1.818 1.00 1.00 N ATOM 1591 CA GLU A 102 4.208 -8.505 -2.183 1.00 1.00 C ATOM 1592 C GLU A 102 3.223 -8.939 -1.102 1.00 1.00 C ATOM 1593 O GLU A 102 3.543 -8.927 0.084 1.00 1.00 O ATOM 1594 CB GLU A 102 5.258 -9.602 -2.397 1.00 1.00 C ATOM 1595 CG GLU A 102 4.576 -10.910 -2.819 1.00 1.00 C ATOM 1596 CD GLU A 102 5.633 -11.978 -3.084 1.00 1.00 C ATOM 1597 OE1 GLU A 102 6.793 -11.617 -3.206 1.00 1.00 O ATOM 1598 OE2 GLU A 102 5.267 -13.139 -3.159 1.00 1.00 O ATOM 0 H GLU A 102 5.068 -7.146 -0.822 1.00 1.00 H new ATOM 0 HA GLU A 102 3.653 -8.343 -3.107 1.00 1.00 H new ATOM 0 HB2 GLU A 102 5.970 -9.291 -3.162 1.00 1.00 H new ATOM 0 HB3 GLU A 102 5.825 -9.758 -1.479 1.00 1.00 H new ATOM 0 HG2 GLU A 102 3.895 -11.245 -2.037 1.00 1.00 H new ATOM 0 HG3 GLU A 102 3.977 -10.747 -3.715 1.00 1.00 H new ATOM 1605 N ILE A 103 2.025 -9.342 -1.526 1.00 1.00 N ATOM 1606 CA ILE A 103 0.991 -9.807 -0.596 1.00 1.00 C ATOM 1607 C ILE A 103 0.750 -11.306 -0.819 1.00 1.00 C ATOM 1608 O ILE A 103 0.054 -11.676 -1.766 1.00 1.00 O ATOM 1609 CB ILE A 103 -0.319 -9.039 -0.834 1.00 1.00 C ATOM 1610 CG1 ILE A 103 -0.096 -7.519 -0.603 1.00 1.00 C ATOM 1611 CG2 ILE A 103 -1.392 -9.553 0.137 1.00 1.00 C ATOM 1612 CD1 ILE A 103 0.191 -6.821 -1.934 1.00 1.00 C ATOM 0 H ILE A 103 1.745 -9.357 -2.507 1.00 1.00 H new ATOM 0 HA ILE A 103 1.324 -9.632 0.427 1.00 1.00 H new ATOM 0 HB ILE A 103 -0.645 -9.197 -1.862 1.00 1.00 H new ATOM 0 HG12 ILE A 103 -0.978 -7.081 -0.137 1.00 1.00 H new ATOM 0 HG13 ILE A 103 0.737 -7.366 0.084 1.00 1.00 H new ATOM 0 HG21 ILE A 103 -2.323 -9.010 -0.029 1.00 1.00 H new ATOM 0 HG22 ILE A 103 -1.557 -10.617 -0.033 1.00 1.00 H new ATOM 0 HG23 ILE A 103 -1.059 -9.397 1.163 1.00 1.00 H new ATOM 0 HD11 ILE A 103 0.346 -5.756 -1.760 1.00 1.00 H new ATOM 0 HD12 ILE A 103 1.087 -7.249 -2.384 1.00 1.00 H new ATOM 0 HD13 ILE A 103 -0.655 -6.960 -2.607 1.00 1.00 H new ATOM 1624 N PRO A 104 1.311 -12.184 -0.008 1.00 1.00 N ATOM 1625 CA PRO A 104 1.131 -13.654 -0.204 1.00 1.00 C ATOM 1626 C PRO A 104 -0.284 -14.127 0.132 1.00 1.00 C ATOM 1627 O PRO A 104 -0.667 -15.246 -0.208 1.00 1.00 O ATOM 1628 CB PRO A 104 2.176 -14.286 0.728 1.00 1.00 C ATOM 1629 CG PRO A 104 2.406 -13.273 1.805 1.00 1.00 C ATOM 1630 CD PRO A 104 2.163 -11.896 1.173 1.00 1.00 C ATOM 0 HA PRO A 104 1.267 -13.941 -1.247 1.00 1.00 H new ATOM 0 HB2 PRO A 104 1.815 -15.227 1.143 1.00 1.00 H new ATOM 0 HB3 PRO A 104 3.099 -14.507 0.192 1.00 1.00 H new ATOM 0 HG2 PRO A 104 1.730 -13.439 2.643 1.00 1.00 H new ATOM 0 HG3 PRO A 104 3.421 -13.346 2.195 1.00 1.00 H new ATOM 0 HD2 PRO A 104 1.665 -11.221 1.869 1.00 1.00 H new ATOM 0 HD3 PRO A 104 3.100 -11.420 0.882 1.00 1.00 H new ATOM 1638 N ASP A 105 -1.061 -13.270 0.789 1.00 1.00 N ATOM 1639 CA ASP A 105 -2.434 -13.621 1.152 1.00 1.00 C ATOM 1640 C ASP A 105 -3.379 -13.193 0.038 1.00 1.00 C ATOM 1641 O ASP A 105 -3.681 -12.015 -0.111 1.00 1.00 O ATOM 1642 CB ASP A 105 -2.814 -12.930 2.461 1.00 1.00 C ATOM 1643 CG ASP A 105 -2.104 -13.607 3.630 1.00 1.00 C ATOM 1644 OD1 ASP A 105 -1.532 -14.664 3.420 1.00 1.00 O ATOM 1645 OD2 ASP A 105 -2.144 -13.058 4.719 1.00 1.00 O ATOM 0 H ASP A 105 -0.769 -12.337 1.079 1.00 1.00 H new ATOM 0 HA ASP A 105 -2.511 -14.700 1.289 1.00 1.00 H new ATOM 0 HB2 ASP A 105 -2.540 -11.876 2.419 1.00 1.00 H new ATOM 0 HB3 ASP A 105 -3.894 -12.973 2.605 1.00 1.00 H new ATOM 1650 N GLU A 106 -3.817 -14.165 -0.755 1.00 1.00 N ATOM 1651 CA GLU A 106 -4.700 -13.898 -1.887 1.00 1.00 C ATOM 1652 C GLU A 106 -6.007 -13.239 -1.456 1.00 1.00 C ATOM 1653 O GLU A 106 -6.376 -12.195 -1.986 1.00 1.00 O ATOM 1654 CB GLU A 106 -5.004 -15.213 -2.611 1.00 1.00 C ATOM 1655 CG GLU A 106 -5.832 -14.939 -3.870 1.00 1.00 C ATOM 1656 CD GLU A 106 -6.065 -16.241 -4.627 1.00 1.00 C ATOM 1657 OE1 GLU A 106 -5.790 -17.288 -4.064 1.00 1.00 O ATOM 1658 OE2 GLU A 106 -6.516 -16.174 -5.759 1.00 1.00 O ATOM 0 H GLU A 106 -3.574 -15.148 -0.635 1.00 1.00 H new ATOM 0 HA GLU A 106 -4.187 -13.204 -2.553 1.00 1.00 H new ATOM 0 HB2 GLU A 106 -4.074 -15.713 -2.880 1.00 1.00 H new ATOM 0 HB3 GLU A 106 -5.548 -15.886 -1.948 1.00 1.00 H new ATOM 0 HG2 GLU A 106 -6.787 -14.490 -3.598 1.00 1.00 H new ATOM 0 HG3 GLU A 106 -5.314 -14.224 -4.509 1.00 1.00 H new ATOM 1665 N GLU A 107 -6.711 -13.846 -0.509 1.00 1.00 N ATOM 1666 CA GLU A 107 -7.980 -13.288 -0.057 1.00 1.00 C ATOM 1667 C GLU A 107 -7.808 -11.828 0.351 1.00 1.00 C ATOM 1668 O GLU A 107 -8.625 -10.977 -0.001 1.00 1.00 O ATOM 1669 CB GLU A 107 -8.539 -14.108 1.112 1.00 1.00 C ATOM 1670 CG GLU A 107 -7.530 -14.146 2.262 1.00 1.00 C ATOM 1671 CD GLU A 107 -8.021 -15.099 3.346 1.00 1.00 C ATOM 1672 OE1 GLU A 107 -9.225 -15.204 3.515 1.00 1.00 O ATOM 1673 OE2 GLU A 107 -7.187 -15.711 3.993 1.00 1.00 O ATOM 0 H GLU A 107 -6.432 -14.710 -0.045 1.00 1.00 H new ATOM 0 HA GLU A 107 -8.690 -13.333 -0.883 1.00 1.00 H new ATOM 0 HB2 GLU A 107 -9.477 -13.672 1.456 1.00 1.00 H new ATOM 0 HB3 GLU A 107 -8.762 -15.122 0.780 1.00 1.00 H new ATOM 0 HG2 GLU A 107 -6.556 -14.470 1.894 1.00 1.00 H new ATOM 0 HG3 GLU A 107 -7.398 -13.146 2.676 1.00 1.00 H new ATOM 1680 N HIS A 108 -6.740 -11.541 1.078 1.00 1.00 N ATOM 1681 CA HIS A 108 -6.465 -10.179 1.510 1.00 1.00 C ATOM 1682 C HIS A 108 -6.073 -9.308 0.319 1.00 1.00 C ATOM 1683 O HIS A 108 -6.421 -8.131 0.256 1.00 1.00 O ATOM 1684 CB HIS A 108 -5.334 -10.176 2.537 1.00 1.00 C ATOM 1685 CG HIS A 108 -5.804 -10.769 3.842 1.00 1.00 C ATOM 1686 ND1 HIS A 108 -7.046 -11.151 4.299 1.00 1.00 N flip ATOM 1687 CD2 HIS A 108 -4.926 -11.033 4.884 1.00 1.00 C flip ATOM 1688 CE1 HIS A 108 -6.938 -11.640 5.596 1.00 1.00 C flip ATOM 1689 NE2 HIS A 108 -5.641 -11.548 5.900 1.00 1.00 N flip ATOM 0 H HIS A 108 -6.051 -12.230 1.381 1.00 1.00 H new ATOM 0 HA HIS A 108 -7.369 -9.772 1.963 1.00 1.00 H new ATOM 0 HB2 HIS A 108 -4.487 -10.746 2.156 1.00 1.00 H new ATOM 0 HB3 HIS A 108 -4.985 -9.156 2.699 1.00 1.00 H new ATOM 0 HD2 HIS A 108 -3.861 -10.857 4.880 1.00 1.00 H new ATOM 0 HE1 HIS A 108 -7.733 -12.014 6.224 1.00 1.00 H new ATOM 0 HE2 HIS A 108 -5.241 -11.834 6.794 1.00 1.00 H new ATOM 1697 N CYS A 109 -5.337 -9.899 -0.622 1.00 1.00 N ATOM 1698 CA CYS A 109 -4.887 -9.172 -1.805 1.00 1.00 C ATOM 1699 C CYS A 109 -6.074 -8.650 -2.605 1.00 1.00 C ATOM 1700 O CYS A 109 -6.014 -7.571 -3.189 1.00 1.00 O ATOM 1701 CB CYS A 109 -4.016 -10.087 -2.689 1.00 1.00 C ATOM 1702 SG CYS A 109 -2.750 -9.109 -3.537 1.00 1.00 S ATOM 0 H CYS A 109 -5.042 -10.875 -0.587 1.00 1.00 H new ATOM 0 HA CYS A 109 -4.292 -8.319 -1.477 1.00 1.00 H new ATOM 0 HB2 CYS A 109 -3.544 -10.855 -2.077 1.00 1.00 H new ATOM 0 HB3 CYS A 109 -4.640 -10.601 -3.420 1.00 1.00 H new ATOM 1707 N LEU A 110 -7.146 -9.421 -2.650 1.00 1.00 N ATOM 1708 CA LEU A 110 -8.311 -9.006 -3.414 1.00 1.00 C ATOM 1709 C LEU A 110 -8.903 -7.721 -2.862 1.00 1.00 C ATOM 1710 O LEU A 110 -9.260 -6.821 -3.623 1.00 1.00 O ATOM 1711 CB LEU A 110 -9.382 -10.095 -3.373 1.00 1.00 C ATOM 1712 CG LEU A 110 -8.878 -11.370 -4.055 1.00 1.00 C ATOM 1713 CD1 LEU A 110 -9.948 -12.461 -3.917 1.00 1.00 C ATOM 1714 CD2 LEU A 110 -8.598 -11.100 -5.546 1.00 1.00 C ATOM 0 H LEU A 110 -7.236 -10.320 -2.177 1.00 1.00 H new ATOM 0 HA LEU A 110 -7.987 -8.836 -4.441 1.00 1.00 H new ATOM 0 HB2 LEU A 110 -9.650 -10.311 -2.339 1.00 1.00 H new ATOM 0 HB3 LEU A 110 -10.286 -9.743 -3.870 1.00 1.00 H new ATOM 0 HG LEU A 110 -7.952 -11.695 -3.581 1.00 1.00 H new ATOM 0 HD11 LEU A 110 -9.600 -13.375 -4.399 1.00 1.00 H new ATOM 0 HD12 LEU A 110 -10.134 -12.656 -2.861 1.00 1.00 H new ATOM 0 HD13 LEU A 110 -10.871 -12.128 -4.393 1.00 1.00 H new ATOM 0 HD21 LEU A 110 -8.240 -12.014 -6.020 1.00 1.00 H new ATOM 0 HD22 LEU A 110 -9.515 -10.773 -6.035 1.00 1.00 H new ATOM 0 HD23 LEU A 110 -7.840 -10.322 -5.639 1.00 1.00 H new ATOM 1726 N LYS A 111 -9.024 -7.633 -1.546 1.00 1.00 N ATOM 1727 CA LYS A 111 -9.593 -6.440 -0.943 1.00 1.00 C ATOM 1728 C LYS A 111 -8.674 -5.240 -1.148 1.00 1.00 C ATOM 1729 O LYS A 111 -9.116 -4.153 -1.516 1.00 1.00 O ATOM 1730 CB LYS A 111 -9.815 -6.651 0.553 1.00 1.00 C ATOM 1731 CG LYS A 111 -10.903 -7.704 0.762 1.00 1.00 C ATOM 1732 CD LYS A 111 -11.074 -7.972 2.257 1.00 1.00 C ATOM 1733 CE LYS A 111 -12.080 -9.106 2.451 1.00 1.00 C ATOM 1734 NZ LYS A 111 -13.431 -8.649 2.023 1.00 1.00 N ATOM 0 H LYS A 111 -8.742 -8.359 -0.887 1.00 1.00 H new ATOM 0 HA LYS A 111 -10.550 -6.245 -1.428 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -8.888 -6.971 1.028 1.00 1.00 H new ATOM 0 HB3 LYS A 111 -10.107 -5.712 1.024 1.00 1.00 H new ATOM 0 HG2 LYS A 111 -11.844 -7.359 0.334 1.00 1.00 H new ATOM 0 HG3 LYS A 111 -10.636 -8.626 0.245 1.00 1.00 H new ATOM 0 HD2 LYS A 111 -10.116 -8.239 2.703 1.00 1.00 H new ATOM 0 HD3 LYS A 111 -11.421 -7.071 2.763 1.00 1.00 H new ATOM 0 HE2 LYS A 111 -11.778 -9.978 1.870 1.00 1.00 H new ATOM 0 HE3 LYS A 111 -12.102 -9.412 3.497 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 -14.151 -9.308 2.382 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 -13.612 -7.698 2.403 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 -13.475 -8.621 0.984 1.00 1.00 H new ATOM 1748 N PHE A 112 -7.386 -5.458 -0.896 1.00 1.00 N ATOM 1749 CA PHE A 112 -6.386 -4.410 -1.039 1.00 1.00 C ATOM 1750 C PHE A 112 -6.281 -3.929 -2.481 1.00 1.00 C ATOM 1751 O PHE A 112 -6.288 -2.726 -2.745 1.00 1.00 O ATOM 1752 CB PHE A 112 -5.033 -4.961 -0.567 1.00 1.00 C ATOM 1753 CG PHE A 112 -3.904 -4.044 -0.981 1.00 1.00 C ATOM 1754 CD1 PHE A 112 -3.765 -2.786 -0.386 1.00 1.00 C ATOM 1755 CD2 PHE A 112 -2.992 -4.459 -1.961 1.00 1.00 C ATOM 1756 CE1 PHE A 112 -2.718 -1.943 -0.771 1.00 1.00 C ATOM 1757 CE2 PHE A 112 -1.946 -3.616 -2.344 1.00 1.00 C ATOM 1758 CZ PHE A 112 -1.808 -2.358 -1.750 1.00 1.00 C ATOM 0 H PHE A 112 -7.012 -6.356 -0.590 1.00 1.00 H new ATOM 0 HA PHE A 112 -6.681 -3.554 -0.432 1.00 1.00 H new ATOM 0 HB2 PHE A 112 -5.039 -5.071 0.517 1.00 1.00 H new ATOM 0 HB3 PHE A 112 -4.873 -5.954 -0.987 1.00 1.00 H new ATOM 0 HD1 PHE A 112 -4.466 -2.466 0.371 1.00 1.00 H new ATOM 0 HD2 PHE A 112 -3.098 -5.431 -2.420 1.00 1.00 H new ATOM 0 HE1 PHE A 112 -2.611 -0.971 -0.313 1.00 1.00 H new ATOM 0 HE2 PHE A 112 -1.244 -3.936 -3.099 1.00 1.00 H new ATOM 0 HZ PHE A 112 -0.999 -1.707 -2.047 1.00 1.00 H new ATOM 1768 N LEU A 113 -6.168 -4.869 -3.407 1.00 1.00 N ATOM 1769 CA LEU A 113 -6.040 -4.523 -4.812 1.00 1.00 C ATOM 1770 C LEU A 113 -7.308 -3.857 -5.334 1.00 1.00 C ATOM 1771 O LEU A 113 -7.241 -2.890 -6.091 1.00 1.00 O ATOM 1772 CB LEU A 113 -5.718 -5.777 -5.627 1.00 1.00 C ATOM 1773 CG LEU A 113 -4.312 -6.292 -5.265 1.00 1.00 C ATOM 1774 CD1 LEU A 113 -4.061 -7.630 -5.982 1.00 1.00 C ATOM 1775 CD2 LEU A 113 -3.235 -5.261 -5.670 1.00 1.00 C ATOM 0 H LEU A 113 -6.162 -5.870 -3.212 1.00 1.00 H new ATOM 0 HA LEU A 113 -5.224 -3.808 -4.918 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -6.460 -6.550 -5.429 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -5.769 -5.552 -6.692 1.00 1.00 H new ATOM 0 HG LEU A 113 -4.253 -6.440 -4.187 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -3.067 -7.998 -5.728 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -4.809 -8.358 -5.666 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -4.130 -7.484 -7.060 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -2.249 -5.643 -5.406 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -3.282 -5.089 -6.745 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -3.413 -4.323 -5.144 1.00 1.00 H new ATOM 1787 N SER A 114 -8.460 -4.377 -4.930 1.00 1.00 N ATOM 1788 CA SER A 114 -9.732 -3.816 -5.374 1.00 1.00 C ATOM 1789 C SER A 114 -9.888 -2.369 -4.907 1.00 1.00 C ATOM 1790 O SER A 114 -10.296 -1.501 -5.678 1.00 1.00 O ATOM 1791 CB SER A 114 -10.886 -4.655 -4.829 1.00 1.00 C ATOM 1792 OG SER A 114 -12.101 -3.932 -4.971 1.00 1.00 O ATOM 0 H SER A 114 -8.542 -5.177 -4.303 1.00 1.00 H new ATOM 0 HA SER A 114 -9.748 -3.831 -6.464 1.00 1.00 H new ATOM 0 HB2 SER A 114 -10.948 -5.601 -5.366 1.00 1.00 H new ATOM 0 HB3 SER A 114 -10.713 -4.895 -3.780 1.00 1.00 H new ATOM 0 HG SER A 114 -12.844 -4.469 -4.623 1.00 1.00 H new ATOM 1798 N ALA A 115 -9.572 -2.121 -3.641 1.00 1.00 N ATOM 1799 CA ALA A 115 -9.696 -0.777 -3.082 1.00 1.00 C ATOM 1800 C ALA A 115 -8.686 0.185 -3.716 1.00 1.00 C ATOM 1801 O ALA A 115 -9.034 1.304 -4.092 1.00 1.00 O ATOM 1802 CB ALA A 115 -9.497 -0.830 -1.560 1.00 1.00 C ATOM 0 H ALA A 115 -9.231 -2.825 -2.986 1.00 1.00 H new ATOM 0 HA ALA A 115 -10.695 -0.403 -3.305 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -9.590 0.174 -1.146 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -10.254 -1.477 -1.116 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -8.506 -1.224 -1.336 1.00 1.00 H new ATOM 1808 N VAL A 116 -7.435 -0.256 -3.831 1.00 1.00 N ATOM 1809 CA VAL A 116 -6.388 0.581 -4.421 1.00 1.00 C ATOM 1810 C VAL A 116 -6.688 0.873 -5.887 1.00 1.00 C ATOM 1811 O VAL A 116 -6.586 2.014 -6.335 1.00 1.00 O ATOM 1812 CB VAL A 116 -5.030 -0.124 -4.298 1.00 1.00 C ATOM 1813 CG1 VAL A 116 -3.978 0.592 -5.155 1.00 1.00 C ATOM 1814 CG2 VAL A 116 -4.582 -0.100 -2.837 1.00 1.00 C ATOM 0 H VAL A 116 -7.122 -1.178 -3.527 1.00 1.00 H new ATOM 0 HA VAL A 116 -6.358 1.528 -3.881 1.00 1.00 H new ATOM 0 HB VAL A 116 -5.133 -1.152 -4.644 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -3.020 0.081 -5.058 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -4.291 0.581 -6.199 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -3.875 1.623 -4.818 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -3.618 -0.600 -2.744 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -4.489 0.933 -2.502 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -5.319 -0.616 -2.222 1.00 1.00 H new ATOM 1824 N LEU A 117 -7.048 -0.165 -6.629 1.00 1.00 N ATOM 1825 CA LEU A 117 -7.350 -0.001 -8.042 1.00 1.00 C ATOM 1826 C LEU A 117 -8.541 0.924 -8.227 1.00 1.00 C ATOM 1827 O LEU A 117 -8.533 1.801 -9.092 1.00 1.00 O ATOM 1828 CB LEU A 117 -7.653 -1.366 -8.673 1.00 1.00 C ATOM 1829 CG LEU A 117 -8.014 -1.197 -10.174 1.00 1.00 C ATOM 1830 CD1 LEU A 117 -7.348 -2.305 -10.998 1.00 1.00 C ATOM 1831 CD2 LEU A 117 -9.534 -1.283 -10.380 1.00 1.00 C ATOM 0 H LEU A 117 -7.137 -1.119 -6.280 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.483 0.440 -8.533 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -6.788 -2.021 -8.571 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -8.478 -1.843 -8.145 1.00 1.00 H new ATOM 0 HG LEU A 117 -7.659 -0.219 -10.499 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -7.605 -2.181 -12.050 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -6.266 -2.246 -10.880 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -7.699 -3.277 -10.651 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -9.765 -1.162 -11.438 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -9.893 -2.254 -10.039 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -10.024 -0.494 -9.809 1.00 1.00 H new ATOM 1843 N ALA A 118 -9.560 0.723 -7.406 1.00 1.00 N ATOM 1844 CA ALA A 118 -10.759 1.542 -7.477 1.00 1.00 C ATOM 1845 C ALA A 118 -10.436 2.989 -7.124 1.00 1.00 C ATOM 1846 O ALA A 118 -10.985 3.917 -7.716 1.00 1.00 O ATOM 1847 CB ALA A 118 -11.814 0.993 -6.518 1.00 1.00 C ATOM 0 H ALA A 118 -9.581 0.002 -6.685 1.00 1.00 H new ATOM 0 HA ALA A 118 -11.147 1.512 -8.495 1.00 1.00 H new ATOM 0 HB1 ALA A 118 -12.712 1.609 -6.573 1.00 1.00 H new ATOM 0 HB2 ALA A 118 -12.060 -0.032 -6.795 1.00 1.00 H new ATOM 0 HB3 ALA A 118 -11.424 1.010 -5.500 1.00 1.00 H new ATOM 1853 N ALA A 119 -9.544 3.177 -6.157 1.00 1.00 N ATOM 1854 CA ALA A 119 -9.165 4.522 -5.742 1.00 1.00 C ATOM 1855 C ALA A 119 -8.497 5.272 -6.893 1.00 1.00 C ATOM 1856 O ALA A 119 -8.861 6.409 -7.195 1.00 1.00 O ATOM 1857 CB ALA A 119 -8.210 4.453 -4.548 1.00 1.00 C ATOM 0 H ALA A 119 -9.075 2.425 -5.652 1.00 1.00 H new ATOM 0 HA ALA A 119 -10.068 5.059 -5.451 1.00 1.00 H new ATOM 0 HB1 ALA A 119 -7.932 5.463 -4.245 1.00 1.00 H new ATOM 0 HB2 ALA A 119 -8.702 3.947 -3.717 1.00 1.00 H new ATOM 0 HB3 ALA A 119 -7.314 3.900 -4.830 1.00 1.00 H new ATOM 1863 N GLN A 120 -7.520 4.632 -7.533 1.00 1.00 N ATOM 1864 CA GLN A 120 -6.820 5.262 -8.651 1.00 1.00 C ATOM 1865 C GLN A 120 -7.730 5.389 -9.871 1.00 1.00 C ATOM 1866 O GLN A 120 -7.686 6.385 -10.589 1.00 1.00 O ATOM 1867 CB GLN A 120 -5.561 4.470 -9.019 1.00 1.00 C ATOM 1868 CG GLN A 120 -4.490 4.680 -7.944 1.00 1.00 C ATOM 1869 CD GLN A 120 -3.213 3.935 -8.318 1.00 1.00 C ATOM 1870 OE1 GLN A 120 -3.234 2.716 -8.490 1.00 1.00 O ATOM 1871 NE2 GLN A 120 -2.095 4.599 -8.454 1.00 1.00 N ATOM 0 H GLN A 120 -7.199 3.692 -7.302 1.00 1.00 H new ATOM 0 HA GLN A 120 -6.527 6.263 -8.334 1.00 1.00 H new ATOM 0 HB2 GLN A 120 -5.799 3.410 -9.108 1.00 1.00 H new ATOM 0 HB3 GLN A 120 -5.185 4.795 -9.989 1.00 1.00 H new ATOM 0 HG2 GLN A 120 -4.280 5.744 -7.833 1.00 1.00 H new ATOM 0 HG3 GLN A 120 -4.857 4.326 -6.981 1.00 1.00 H new ATOM 0 HE21 GLN A 120 -2.081 5.609 -8.311 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -1.237 4.107 -8.703 1.00 1.00 H new ATOM 1880 N LYS A 121 -8.551 4.377 -10.102 1.00 1.00 N ATOM 1881 CA LYS A 121 -9.467 4.386 -11.231 1.00 1.00 C ATOM 1882 C LYS A 121 -10.503 5.496 -11.074 1.00 1.00 C ATOM 1883 O LYS A 121 -10.835 6.193 -12.032 1.00 1.00 O ATOM 1884 CB LYS A 121 -10.165 3.030 -11.302 1.00 1.00 C ATOM 1885 CG LYS A 121 -11.095 2.959 -12.512 1.00 1.00 C ATOM 1886 CD LYS A 121 -11.812 1.613 -12.474 1.00 1.00 C ATOM 1887 CE LYS A 121 -12.812 1.505 -13.630 1.00 1.00 C ATOM 1888 NZ LYS A 121 -12.109 1.087 -14.878 1.00 1.00 N ATOM 0 H LYS A 121 -8.602 3.539 -9.523 1.00 1.00 H new ATOM 0 HA LYS A 121 -8.909 4.570 -12.149 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -9.421 2.236 -11.363 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -10.736 2.862 -10.389 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -11.816 3.776 -12.488 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -10.527 3.063 -13.436 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -11.084 0.804 -12.538 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -12.332 1.498 -11.523 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -13.590 0.783 -13.382 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -13.306 2.464 -13.785 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -12.795 1.017 -15.656 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -11.383 1.791 -15.120 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -11.658 0.162 -14.729 1.00 1.00 H new ATOM 1902 N ALA A 122 -11.025 5.635 -9.860 1.00 1.00 N ATOM 1903 CA ALA A 122 -12.041 6.645 -9.579 1.00 1.00 C ATOM 1904 C ALA A 122 -11.528 8.055 -9.867 1.00 1.00 C ATOM 1905 O ALA A 122 -12.187 8.834 -10.553 1.00 1.00 O ATOM 1906 CB ALA A 122 -12.472 6.549 -8.112 1.00 1.00 C ATOM 0 H ALA A 122 -10.763 5.064 -9.057 1.00 1.00 H new ATOM 0 HA ALA A 122 -12.892 6.454 -10.233 1.00 1.00 H new ATOM 0 HB1 ALA A 122 -13.230 7.304 -7.905 1.00 1.00 H new ATOM 0 HB2 ALA A 122 -12.884 5.559 -7.918 1.00 1.00 H new ATOM 0 HB3 ALA A 122 -11.609 6.716 -7.468 1.00 1.00 H new ATOM 1912 N GLN A 123 -10.355 8.383 -9.335 1.00 1.00 N ATOM 1913 CA GLN A 123 -9.783 9.710 -9.547 1.00 1.00 C ATOM 1914 C GLN A 123 -9.270 9.858 -10.976 1.00 1.00 C ATOM 1915 O GLN A 123 -9.436 10.906 -11.601 1.00 1.00 O ATOM 1916 CB GLN A 123 -8.648 9.960 -8.552 1.00 1.00 C ATOM 1917 CG GLN A 123 -7.472 9.038 -8.867 1.00 1.00 C ATOM 1918 CD GLN A 123 -6.449 9.100 -7.741 1.00 1.00 C ATOM 1919 OE1 GLN A 123 -5.342 9.600 -7.932 1.00 1.00 O ATOM 1920 NE2 GLN A 123 -6.757 8.617 -6.568 1.00 1.00 N ATOM 0 H GLN A 123 -9.788 7.759 -8.761 1.00 1.00 H new ATOM 0 HA GLN A 123 -10.567 10.450 -9.386 1.00 1.00 H new ATOM 0 HB2 GLN A 123 -8.330 11.001 -8.603 1.00 1.00 H new ATOM 0 HB3 GLN A 123 -8.998 9.784 -7.535 1.00 1.00 H new ATOM 0 HG2 GLN A 123 -7.825 8.014 -8.994 1.00 1.00 H new ATOM 0 HG3 GLN A 123 -7.008 9.334 -9.808 1.00 1.00 H new ATOM 0 HE21 GLN A 123 -7.676 8.203 -6.412 1.00 1.00 H new ATOM 0 HE22 GLN A 123 -6.079 8.654 -5.807 1.00 1.00 H new ATOM 1929 N SER A 124 -8.648 8.801 -11.487 1.00 1.00 N ATOM 1930 CA SER A 124 -8.115 8.819 -12.844 1.00 1.00 C ATOM 1931 C SER A 124 -7.317 10.095 -13.092 1.00 1.00 C ATOM 1932 O SER A 124 -7.472 10.669 -14.157 1.00 1.00 O ATOM 1933 CB SER A 124 -9.259 8.724 -13.853 1.00 1.00 C ATOM 1934 OG SER A 124 -8.733 8.375 -15.127 1.00 1.00 O ATOM 1935 OXT SER A 124 -6.562 10.478 -12.214 1.00 1.00 O ATOM 0 H SER A 124 -8.501 7.925 -10.985 1.00 1.00 H new ATOM 0 HA SER A 124 -7.451 7.963 -12.965 1.00 1.00 H new ATOM 0 HB2 SER A 124 -9.984 7.977 -13.529 1.00 1.00 H new ATOM 0 HB3 SER A 124 -9.787 9.676 -13.913 1.00 1.00 H new ATOM 0 HG SER A 124 -8.077 9.047 -15.405 1.00 1.00 H new