USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 601 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 16 HIS : no HE2:sc= -1.54 K(o=-9.1,f=-14!) USER MOD Set 1.2: A 64 GLN : amide:sc= -7.57! C(o=-9.1!,f=-13!) USER MOD Single : A 13 ASN : amide:sc= -0.0864 X(o=-0.086,f=-0.0085) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 19 SER OG : rot -59:sc= 0.713 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 21:sc= 0.0885 USER MOD Single : A 37 CYS SG : rot 85:sc= 0.628 USER MOD Single : A 38 HIS :FLIP no HD1:sc= -0.897 F(o=-1.5,f=-0.9) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -16:sc=-0.00861 USER MOD Single : A 43 THR OG1 : rot 77:sc= 0.558 USER MOD Single : A 44 TYR OH : rot 30:sc= -0.0407 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 152:sc= -4.88 (180deg=-9.03!) USER MOD Single : A 50 LYS NZ :NH3+ 159:sc= -0.0542 (180deg=-0.373) USER MOD Single : A 52 THR OG1 : rot 160:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -4.07! C(o=-4.1!,f=-5!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -41:sc= 0.398 USER MOD Single : A 68 HIS : no HE2:sc= -4.08! C(o=-4.1!,f=-3.9!) USER MOD Single : A 69 MET CE :methyl 178:sc= -6.41! (180deg=-6.68!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.126 F(o=-0.65,f=-0.13) USER MOD Single : A 76 GLN : amide:sc=-0.000425 X(o=-0.00043,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N GLY A 10 -6.548 17.920 -0.375 1.00 0.00 N ATOM 99 CA GLY A 10 -6.714 17.347 -1.698 1.00 0.00 C ATOM 100 C GLY A 10 -5.813 16.150 -1.928 1.00 0.00 C ATOM 101 O GLY A 10 -6.269 15.009 -2.012 1.00 0.00 O ATOM 0 HA2 GLY A 10 -7.753 17.047 -1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.502 18.108 -2.449 1.00 0.00 H new ATOM 105 N PRO A 11 -4.500 16.404 -2.035 1.00 0.00 N ATOM 106 CA PRO A 11 -3.505 15.351 -2.260 1.00 0.00 C ATOM 107 C PRO A 11 -3.331 14.450 -1.043 1.00 0.00 C ATOM 108 O PRO A 11 -2.920 13.295 -1.166 1.00 0.00 O ATOM 109 CB PRO A 11 -2.218 16.133 -2.535 1.00 0.00 C ATOM 110 CG PRO A 11 -2.416 17.441 -1.851 1.00 0.00 C ATOM 111 CD PRO A 11 -3.886 17.740 -1.944 1.00 0.00 C ATOM 0 HA PRO A 11 -3.795 14.682 -3.070 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.346 15.610 -2.144 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.057 16.266 -3.605 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.093 17.390 -0.811 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.828 18.224 -2.329 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.241 18.287 -1.071 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.118 18.349 -2.818 1.00 0.00 H new ATOM 119 N LEU A 12 -3.645 14.983 0.133 1.00 0.00 N ATOM 120 CA LEU A 12 -3.524 14.225 1.374 1.00 0.00 C ATOM 121 C LEU A 12 -4.624 13.174 1.480 1.00 0.00 C ATOM 122 O LEU A 12 -4.364 12.022 1.826 1.00 0.00 O ATOM 123 CB LEU A 12 -3.585 15.167 2.577 1.00 0.00 C ATOM 124 CG LEU A 12 -2.291 15.908 2.916 1.00 0.00 C ATOM 125 CD1 LEU A 12 -2.587 17.150 3.742 1.00 0.00 C ATOM 126 CD2 LEU A 12 -1.328 14.990 3.655 1.00 0.00 C ATOM 0 H LEU A 12 -3.985 15.937 0.253 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.560 13.715 1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.366 15.905 2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.889 14.590 3.450 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.820 16.221 1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.654 17.664 3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.238 17.817 3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.082 16.861 4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.413 15.534 3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.791 14.646 4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.090 14.131 3.027 1.00 0.00 H new ATOM 138 N ASN A 13 -5.853 13.579 1.178 1.00 0.00 N ATOM 139 CA ASN A 13 -6.993 12.672 1.238 1.00 0.00 C ATOM 140 C ASN A 13 -6.928 11.641 0.116 1.00 0.00 C ATOM 141 O ASN A 13 -7.128 10.447 0.342 1.00 0.00 O ATOM 142 CB ASN A 13 -8.303 13.458 1.148 1.00 0.00 C ATOM 143 CG ASN A 13 -8.808 13.898 2.509 1.00 0.00 C ATOM 144 OD1 ASN A 13 -8.971 15.091 2.767 1.00 0.00 O ATOM 145 ND2 ASN A 13 -9.058 12.934 3.387 1.00 0.00 N ATOM 0 H ASN A 13 -6.085 14.529 0.889 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.957 12.147 2.193 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.155 14.335 0.518 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.061 12.842 0.664 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.400 13.169 4.319 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.908 11.958 3.130 1.00 0.00 H new ATOM 152 N LEU A 14 -6.645 12.110 -1.095 1.00 0.00 N ATOM 153 CA LEU A 14 -6.552 11.229 -2.254 1.00 0.00 C ATOM 154 C LEU A 14 -5.607 10.064 -1.978 1.00 0.00 C ATOM 155 O LEU A 14 -5.798 8.962 -2.491 1.00 0.00 O ATOM 156 CB LEU A 14 -6.072 12.012 -3.477 1.00 0.00 C ATOM 157 CG LEU A 14 -7.152 12.750 -4.268 1.00 0.00 C ATOM 158 CD1 LEU A 14 -6.565 13.966 -4.967 1.00 0.00 C ATOM 159 CD2 LEU A 14 -7.805 11.817 -5.277 1.00 0.00 C ATOM 0 H LEU A 14 -6.476 13.095 -1.299 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.545 10.827 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.329 12.739 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.565 11.320 -4.150 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.917 13.091 -3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.349 14.479 -5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.145 14.645 -4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.780 13.648 -5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.571 12.359 -5.831 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.050 11.445 -5.970 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.262 10.977 -4.753 1.00 0.00 H new ATOM 171 N ALA A 15 -4.587 10.316 -1.163 1.00 0.00 N ATOM 172 CA ALA A 15 -3.615 9.288 -0.816 1.00 0.00 C ATOM 173 C ALA A 15 -4.182 8.324 0.221 1.00 0.00 C ATOM 174 O ALA A 15 -3.743 7.178 0.323 1.00 0.00 O ATOM 175 CB ALA A 15 -2.333 9.926 -0.301 1.00 0.00 C ATOM 0 H ALA A 15 -4.413 11.224 -0.731 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.388 8.719 -1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.616 9.146 -0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.911 10.569 -1.073 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.553 10.521 0.585 1.00 0.00 H new ATOM 181 N HIS A 16 -5.159 8.795 0.989 1.00 0.00 N ATOM 182 CA HIS A 16 -5.786 7.974 2.018 1.00 0.00 C ATOM 183 C HIS A 16 -6.746 6.964 1.398 1.00 0.00 C ATOM 184 O HIS A 16 -6.830 5.820 1.844 1.00 0.00 O ATOM 185 CB HIS A 16 -6.533 8.857 3.019 1.00 0.00 C ATOM 186 CG HIS A 16 -5.659 9.868 3.695 1.00 0.00 C ATOM 187 ND1 HIS A 16 -6.155 10.989 4.327 1.00 0.00 N ATOM 188 CD2 HIS A 16 -4.314 9.921 3.838 1.00 0.00 C ATOM 189 CE1 HIS A 16 -5.153 11.689 4.827 1.00 0.00 C ATOM 190 NE2 HIS A 16 -4.025 11.063 4.545 1.00 0.00 N ATOM 0 H HIS A 16 -5.534 9.741 0.918 1.00 0.00 H new ATOM 0 HA HIS A 16 -5.001 7.428 2.541 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.341 9.375 2.502 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.994 8.223 3.776 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -7.142 11.238 4.397 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.601 9.200 3.466 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.241 12.616 5.374 1.00 0.00 H new ATOM 199 N GLN A 17 -7.466 7.395 0.368 1.00 0.00 N ATOM 200 CA GLN A 17 -8.421 6.527 -0.313 1.00 0.00 C ATOM 201 C GLN A 17 -7.796 5.172 -0.627 1.00 0.00 C ATOM 202 O GLN A 17 -8.452 4.136 -0.517 1.00 0.00 O ATOM 203 CB GLN A 17 -8.913 7.187 -1.602 1.00 0.00 C ATOM 204 CG GLN A 17 -9.929 8.293 -1.370 1.00 0.00 C ATOM 205 CD GLN A 17 -10.252 9.063 -2.636 1.00 0.00 C ATOM 206 OE1 GLN A 17 -10.495 8.474 -3.689 1.00 0.00 O ATOM 207 NE2 GLN A 17 -10.258 10.387 -2.538 1.00 0.00 N ATOM 0 H GLN A 17 -7.407 8.339 -0.014 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.270 6.369 0.352 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.058 7.597 -2.139 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.357 6.426 -2.243 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.845 7.861 -0.968 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.545 8.982 -0.618 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.051 10.833 -1.645 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.470 10.958 -3.356 1.00 0.00 H new ATOM 216 N GLN A 18 -6.527 5.187 -1.019 1.00 0.00 N ATOM 217 CA GLN A 18 -5.815 3.958 -1.350 1.00 0.00 C ATOM 218 C GLN A 18 -5.191 3.338 -0.104 1.00 0.00 C ATOM 219 O GLN A 18 -5.258 2.125 0.097 1.00 0.00 O ATOM 220 CB GLN A 18 -4.731 4.237 -2.392 1.00 0.00 C ATOM 221 CG GLN A 18 -5.271 4.808 -3.694 1.00 0.00 C ATOM 222 CD GLN A 18 -5.714 3.731 -4.664 1.00 0.00 C ATOM 223 OE1 GLN A 18 -6.762 3.111 -4.485 1.00 0.00 O ATOM 224 NE2 GLN A 18 -4.915 3.503 -5.701 1.00 0.00 N ATOM 0 H GLN A 18 -5.970 6.036 -1.115 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.534 3.251 -1.764 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.006 4.934 -1.972 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.196 3.311 -2.605 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.113 5.465 -3.477 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.502 5.421 -4.164 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.055 4.041 -5.810 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.161 2.790 -6.388 1.00 0.00 H new ATOM 233 N SER A 19 -4.584 4.178 0.729 1.00 0.00 N ATOM 234 CA SER A 19 -3.945 3.711 1.953 1.00 0.00 C ATOM 235 C SER A 19 -4.839 2.716 2.688 1.00 0.00 C ATOM 236 O SER A 19 -4.354 1.769 3.307 1.00 0.00 O ATOM 237 CB SER A 19 -3.620 4.894 2.867 1.00 0.00 C ATOM 238 OG SER A 19 -4.713 5.197 3.717 1.00 0.00 O ATOM 0 H SER A 19 -4.522 5.185 0.578 1.00 0.00 H new ATOM 0 HA SER A 19 -3.018 3.207 1.680 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.741 4.662 3.468 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.372 5.767 2.263 1.00 0.00 H new ATOM 0 HG SER A 19 -5.500 5.412 3.174 1.00 0.00 H new ATOM 244 N ARG A 20 -6.147 2.940 2.615 1.00 0.00 N ATOM 245 CA ARG A 20 -7.109 2.065 3.273 1.00 0.00 C ATOM 246 C ARG A 20 -7.293 0.770 2.487 1.00 0.00 C ATOM 247 O ARG A 20 -7.528 -0.291 3.066 1.00 0.00 O ATOM 248 CB ARG A 20 -8.455 2.776 3.427 1.00 0.00 C ATOM 249 CG ARG A 20 -8.402 3.987 4.344 1.00 0.00 C ATOM 250 CD ARG A 20 -9.705 4.769 4.310 1.00 0.00 C ATOM 251 NE ARG A 20 -10.654 4.296 5.315 1.00 0.00 N ATOM 252 CZ ARG A 20 -10.450 4.399 6.624 1.00 0.00 C ATOM 253 NH1 ARG A 20 -9.338 4.956 7.083 1.00 0.00 N ATOM 254 NH2 ARG A 20 -11.360 3.945 7.476 1.00 0.00 N ATOM 0 H ARG A 20 -6.564 3.720 2.107 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.721 1.818 4.261 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.805 3.090 2.444 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.188 2.069 3.815 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.197 3.663 5.364 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.579 4.636 4.044 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.498 5.826 4.476 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.153 4.684 3.320 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.520 3.863 4.994 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.637 5.307 6.431 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.184 5.034 8.088 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.217 3.516 7.126 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.203 4.024 8.481 1.00 0.00 H new ATOM 268 N ARG A 21 -7.187 0.865 1.166 1.00 0.00 N ATOM 269 CA ARG A 21 -7.343 -0.298 0.301 1.00 0.00 C ATOM 270 C ARG A 21 -6.221 -1.305 0.536 1.00 0.00 C ATOM 271 O ARG A 21 -6.474 -2.484 0.783 1.00 0.00 O ATOM 272 CB ARG A 21 -7.359 0.131 -1.167 1.00 0.00 C ATOM 273 CG ARG A 21 -7.596 -1.018 -2.134 1.00 0.00 C ATOM 274 CD ARG A 21 -7.249 -0.624 -3.562 1.00 0.00 C ATOM 275 NE ARG A 21 -7.306 -1.764 -4.473 1.00 0.00 N ATOM 276 CZ ARG A 21 -7.006 -1.689 -5.764 1.00 0.00 C ATOM 277 NH1 ARG A 21 -6.628 -0.533 -6.294 1.00 0.00 N ATOM 278 NH2 ARG A 21 -7.082 -2.771 -6.529 1.00 0.00 N ATOM 0 H ARG A 21 -6.994 1.736 0.671 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.292 -0.775 0.543 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.137 0.881 -1.309 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.409 0.608 -1.408 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.994 -1.876 -1.836 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.640 -1.328 -2.084 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.939 0.148 -3.903 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.249 -0.190 -3.586 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.592 -2.668 -4.097 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.567 0.301 -5.709 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.398 -0.478 -7.286 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.371 -3.662 -6.125 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.851 -2.712 -7.521 1.00 0.00 H new ATOM 292 N ALA A 22 -4.982 -0.832 0.456 1.00 0.00 N ATOM 293 CA ALA A 22 -3.822 -1.690 0.661 1.00 0.00 C ATOM 294 C ALA A 22 -4.012 -2.588 1.879 1.00 0.00 C ATOM 295 O ALA A 22 -3.555 -3.731 1.896 1.00 0.00 O ATOM 296 CB ALA A 22 -2.563 -0.849 0.814 1.00 0.00 C ATOM 0 H ALA A 22 -4.756 0.141 0.251 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.714 -2.329 -0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.705 -1.503 0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.411 -0.255 -0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.671 -0.186 1.672 1.00 0.00 H new ATOM 302 N ASP A 23 -4.687 -2.063 2.895 1.00 0.00 N ATOM 303 CA ASP A 23 -4.938 -2.818 4.117 1.00 0.00 C ATOM 304 C ASP A 23 -5.948 -3.933 3.870 1.00 0.00 C ATOM 305 O ASP A 23 -5.674 -5.104 4.136 1.00 0.00 O ATOM 306 CB ASP A 23 -5.445 -1.889 5.221 1.00 0.00 C ATOM 307 CG ASP A 23 -5.787 -2.635 6.495 1.00 0.00 C ATOM 308 OD1 ASP A 23 -4.902 -3.339 7.027 1.00 0.00 O ATOM 309 OD2 ASP A 23 -6.939 -2.516 6.962 1.00 0.00 O ATOM 0 H ASP A 23 -5.070 -1.118 2.897 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.998 -3.269 4.435 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.685 -1.138 5.436 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.328 -1.357 4.867 1.00 0.00 H new ATOM 314 N ARG A 24 -7.119 -3.562 3.360 1.00 0.00 N ATOM 315 CA ARG A 24 -8.171 -4.531 3.079 1.00 0.00 C ATOM 316 C ARG A 24 -7.641 -5.676 2.220 1.00 0.00 C ATOM 317 O ARG A 24 -8.170 -6.788 2.254 1.00 0.00 O ATOM 318 CB ARG A 24 -9.345 -3.851 2.373 1.00 0.00 C ATOM 319 CG ARG A 24 -10.343 -3.213 3.326 1.00 0.00 C ATOM 320 CD ARG A 24 -11.405 -4.208 3.767 1.00 0.00 C ATOM 321 NE ARG A 24 -12.598 -3.541 4.283 1.00 0.00 N ATOM 322 CZ ARG A 24 -13.560 -4.169 4.949 1.00 0.00 C ATOM 323 NH1 ARG A 24 -13.471 -5.472 5.179 1.00 0.00 N ATOM 324 NH2 ARG A 24 -14.615 -3.494 5.387 1.00 0.00 N ATOM 0 H ARG A 24 -7.362 -2.598 3.133 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.515 -4.941 4.028 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.959 -3.086 1.699 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.863 -4.586 1.757 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.818 -2.828 4.200 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.820 -2.362 2.840 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.680 -4.842 2.924 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.993 -4.861 4.536 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.697 -2.539 4.123 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.662 -5.995 4.844 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.212 -5.951 5.691 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.688 -2.492 5.212 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.353 -3.977 5.898 1.00 0.00 H new ATOM 338 N LEU A 25 -6.595 -5.396 1.452 1.00 0.00 N ATOM 339 CA LEU A 25 -5.993 -6.402 0.583 1.00 0.00 C ATOM 340 C LEU A 25 -5.067 -7.321 1.374 1.00 0.00 C ATOM 341 O LEU A 25 -5.113 -8.543 1.227 1.00 0.00 O ATOM 342 CB LEU A 25 -5.216 -5.728 -0.549 1.00 0.00 C ATOM 343 CG LEU A 25 -6.059 -5.069 -1.642 1.00 0.00 C ATOM 344 CD1 LEU A 25 -5.241 -4.030 -2.393 1.00 0.00 C ATOM 345 CD2 LEU A 25 -6.603 -6.118 -2.601 1.00 0.00 C ATOM 0 H LEU A 25 -6.146 -4.481 1.413 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.795 -7.004 0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.564 -4.970 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.572 -6.474 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.902 -4.565 -1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.857 -3.572 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.901 -3.262 -1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.378 -4.510 -2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.200 -5.631 -3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.774 -6.650 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.225 -6.825 -2.052 1.00 0.00 H new ATOM 357 N LEU A 26 -4.228 -6.725 2.214 1.00 0.00 N ATOM 358 CA LEU A 26 -3.291 -7.489 3.031 1.00 0.00 C ATOM 359 C LEU A 26 -4.006 -8.621 3.763 1.00 0.00 C ATOM 360 O LEU A 26 -3.495 -9.737 3.850 1.00 0.00 O ATOM 361 CB LEU A 26 -2.596 -6.572 4.038 1.00 0.00 C ATOM 362 CG LEU A 26 -2.089 -7.242 5.316 1.00 0.00 C ATOM 363 CD1 LEU A 26 -1.025 -8.278 4.989 1.00 0.00 C ATOM 364 CD2 LEU A 26 -1.542 -6.201 6.282 1.00 0.00 C ATOM 0 H LEU A 26 -4.177 -5.715 2.347 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.541 -7.925 2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.751 -6.095 3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.290 -5.780 4.318 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.927 -7.749 5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.676 -8.744 5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.448 -9.040 4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.187 -7.793 4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.186 -6.695 7.186 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.717 -5.666 5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.331 -5.495 6.541 1.00 0.00 H new ATOM 376 N ALA A 27 -5.190 -8.324 4.287 1.00 0.00 N ATOM 377 CA ALA A 27 -5.977 -9.317 5.009 1.00 0.00 C ATOM 378 C ALA A 27 -6.360 -10.479 4.100 1.00 0.00 C ATOM 379 O ALA A 27 -6.447 -11.624 4.543 1.00 0.00 O ATOM 380 CB ALA A 27 -7.222 -8.674 5.601 1.00 0.00 C ATOM 0 H ALA A 27 -5.626 -7.404 4.225 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.365 -9.711 5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.800 -9.427 6.137 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.930 -7.882 6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.829 -8.252 4.800 1.00 0.00 H new ATOM 386 N ALA A 28 -6.589 -10.178 2.826 1.00 0.00 N ATOM 387 CA ALA A 28 -6.962 -11.198 1.854 1.00 0.00 C ATOM 388 C ALA A 28 -5.728 -11.813 1.203 1.00 0.00 C ATOM 389 O ALA A 28 -5.821 -12.461 0.161 1.00 0.00 O ATOM 390 CB ALA A 28 -7.881 -10.608 0.795 1.00 0.00 C ATOM 0 H ALA A 28 -6.523 -9.235 2.443 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.495 -11.989 2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.151 -11.381 0.076 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.783 -10.223 1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.368 -9.796 0.279 1.00 0.00 H new ATOM 396 N GLY A 29 -4.571 -11.606 1.824 1.00 0.00 N ATOM 397 CA GLY A 29 -3.334 -12.146 1.290 1.00 0.00 C ATOM 398 C GLY A 29 -2.995 -11.577 -0.074 1.00 0.00 C ATOM 399 O GLY A 29 -2.180 -12.141 -0.805 1.00 0.00 O ATOM 0 H GLY A 29 -4.468 -11.074 2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.519 -11.933 1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.416 -13.231 1.218 1.00 0.00 H new ATOM 403 N LYS A 30 -3.622 -10.458 -0.419 1.00 0.00 N ATOM 404 CA LYS A 30 -3.384 -9.812 -1.704 1.00 0.00 C ATOM 405 C LYS A 30 -2.227 -8.822 -1.609 1.00 0.00 C ATOM 406 O LYS A 30 -2.292 -7.722 -2.158 1.00 0.00 O ATOM 407 CB LYS A 30 -4.648 -9.091 -2.179 1.00 0.00 C ATOM 408 CG LYS A 30 -5.785 -10.031 -2.539 1.00 0.00 C ATOM 409 CD LYS A 30 -5.634 -10.574 -3.950 1.00 0.00 C ATOM 410 CE LYS A 30 -6.983 -10.931 -4.556 1.00 0.00 C ATOM 411 NZ LYS A 30 -7.367 -12.340 -4.263 1.00 0.00 N ATOM 0 H LYS A 30 -4.300 -9.979 0.174 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.121 -10.584 -2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.984 -8.411 -1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.403 -8.481 -3.048 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.812 -10.859 -1.831 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.735 -9.505 -2.450 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.138 -9.832 -4.576 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.995 -11.457 -3.935 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.746 -10.258 -4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.948 -10.781 -5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.292 -12.544 -4.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.652 -12.984 -4.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.426 -12.477 -3.234 1.00 0.00 H new ATOM 425 N TYR A 31 -1.170 -9.220 -0.910 1.00 0.00 N ATOM 426 CA TYR A 31 0.001 -8.367 -0.742 1.00 0.00 C ATOM 427 C TYR A 31 0.346 -7.653 -2.045 1.00 0.00 C ATOM 428 O TYR A 31 0.391 -6.425 -2.099 1.00 0.00 O ATOM 429 CB TYR A 31 1.197 -9.195 -0.269 1.00 0.00 C ATOM 430 CG TYR A 31 0.953 -9.922 1.034 1.00 0.00 C ATOM 431 CD1 TYR A 31 0.272 -11.133 1.059 1.00 0.00 C ATOM 432 CD2 TYR A 31 1.404 -9.399 2.239 1.00 0.00 C ATOM 433 CE1 TYR A 31 0.046 -11.801 2.247 1.00 0.00 C ATOM 434 CE2 TYR A 31 1.184 -10.061 3.432 1.00 0.00 C ATOM 435 CZ TYR A 31 0.504 -11.261 3.431 1.00 0.00 C ATOM 436 OH TYR A 31 0.282 -11.923 4.616 1.00 0.00 O ATOM 0 H TYR A 31 -1.100 -10.128 -0.450 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.233 -7.615 0.012 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.452 -9.923 -1.039 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.060 -8.539 -0.153 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.087 -11.559 0.134 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.936 -8.459 2.244 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.486 -12.741 2.249 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.543 -9.641 4.360 1.00 0.00 H new ATOM 0 HH TYR A 31 0.669 -11.409 5.355 1.00 0.00 H new ATOM 446 N GLU A 32 0.588 -8.433 -3.094 1.00 0.00 N ATOM 447 CA GLU A 32 0.929 -7.876 -4.398 1.00 0.00 C ATOM 448 C GLU A 32 0.031 -6.688 -4.733 1.00 0.00 C ATOM 449 O GLU A 32 0.509 -5.635 -5.151 1.00 0.00 O ATOM 450 CB GLU A 32 0.804 -8.947 -5.483 1.00 0.00 C ATOM 451 CG GLU A 32 1.467 -8.563 -6.796 1.00 0.00 C ATOM 452 CD GLU A 32 0.952 -9.375 -7.969 1.00 0.00 C ATOM 453 OE1 GLU A 32 1.250 -10.586 -8.029 1.00 0.00 O ATOM 454 OE2 GLU A 32 0.252 -8.798 -8.827 1.00 0.00 O ATOM 0 H GLU A 32 0.554 -9.452 -3.066 1.00 0.00 H new ATOM 0 HA GLU A 32 1.962 -7.529 -4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.247 -9.874 -5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.252 -9.148 -5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.296 -7.504 -6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.545 -8.701 -6.709 1.00 0.00 H new ATOM 461 N GLU A 33 -1.273 -6.869 -4.547 1.00 0.00 N ATOM 462 CA GLU A 33 -2.238 -5.813 -4.832 1.00 0.00 C ATOM 463 C GLU A 33 -1.958 -4.577 -3.982 1.00 0.00 C ATOM 464 O GLU A 33 -1.994 -3.450 -4.475 1.00 0.00 O ATOM 465 CB GLU A 33 -3.662 -6.310 -4.575 1.00 0.00 C ATOM 466 CG GLU A 33 -4.053 -7.504 -5.430 1.00 0.00 C ATOM 467 CD GLU A 33 -3.619 -7.354 -6.875 1.00 0.00 C ATOM 468 OE1 GLU A 33 -2.403 -7.451 -7.143 1.00 0.00 O ATOM 469 OE2 GLU A 33 -4.495 -7.140 -7.738 1.00 0.00 O ATOM 0 H GLU A 33 -1.685 -7.735 -4.201 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.140 -5.540 -5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.760 -6.579 -3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.362 -5.495 -4.762 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.607 -8.407 -5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.134 -7.635 -5.391 1.00 0.00 H new ATOM 476 N ALA A 34 -1.679 -4.797 -2.701 1.00 0.00 N ATOM 477 CA ALA A 34 -1.391 -3.703 -1.782 1.00 0.00 C ATOM 478 C ALA A 34 -0.098 -2.991 -2.164 1.00 0.00 C ATOM 479 O ALA A 34 0.005 -1.769 -2.051 1.00 0.00 O ATOM 480 CB ALA A 34 -1.309 -4.221 -0.354 1.00 0.00 C ATOM 0 H ALA A 34 -1.646 -5.724 -2.276 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.205 -2.981 -1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.093 -3.393 0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.260 -4.677 -0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.515 -4.964 -0.282 1.00 0.00 H new ATOM 486 N ILE A 35 0.885 -3.762 -2.615 1.00 0.00 N ATOM 487 CA ILE A 35 2.172 -3.204 -3.014 1.00 0.00 C ATOM 488 C ILE A 35 2.000 -2.147 -4.100 1.00 0.00 C ATOM 489 O ILE A 35 2.271 -0.967 -3.880 1.00 0.00 O ATOM 490 CB ILE A 35 3.126 -4.299 -3.525 1.00 0.00 C ATOM 491 CG1 ILE A 35 3.369 -5.344 -2.435 1.00 0.00 C ATOM 492 CG2 ILE A 35 4.442 -3.684 -3.980 1.00 0.00 C ATOM 493 CD1 ILE A 35 3.936 -6.644 -2.960 1.00 0.00 C ATOM 0 H ILE A 35 0.816 -4.775 -2.714 1.00 0.00 H new ATOM 0 HA ILE A 35 2.605 -2.742 -2.127 1.00 0.00 H new ATOM 0 HB ILE A 35 2.664 -4.794 -4.379 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.053 -4.932 -1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.429 -5.548 -1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.106 -4.470 -4.339 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.253 -2.974 -4.785 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.911 -3.167 -3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.083 -7.338 -2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.242 -7.079 -3.680 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.892 -6.453 -3.447 1.00 0.00 H new ATOM 505 N SER A 36 1.545 -2.579 -5.271 1.00 0.00 N ATOM 506 CA SER A 36 1.338 -1.671 -6.393 1.00 0.00 C ATOM 507 C SER A 36 0.535 -0.448 -5.961 1.00 0.00 C ATOM 508 O SER A 36 0.738 0.654 -6.473 1.00 0.00 O ATOM 509 CB SER A 36 0.617 -2.391 -7.534 1.00 0.00 C ATOM 510 OG SER A 36 -0.452 -3.182 -7.043 1.00 0.00 O ATOM 0 H SER A 36 1.312 -3.552 -5.468 1.00 0.00 H new ATOM 0 HA SER A 36 2.315 -1.338 -6.743 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.235 -1.659 -8.246 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.323 -3.022 -8.073 1.00 0.00 H new ATOM 0 HG SER A 36 -0.718 -2.858 -6.157 1.00 0.00 H new ATOM 516 N CYS A 37 -0.376 -0.650 -5.016 1.00 0.00 N ATOM 517 CA CYS A 37 -1.211 0.435 -4.513 1.00 0.00 C ATOM 518 C CYS A 37 -0.369 1.476 -3.783 1.00 0.00 C ATOM 519 O CYS A 37 -0.650 2.674 -3.847 1.00 0.00 O ATOM 520 CB CYS A 37 -2.289 -0.114 -3.578 1.00 0.00 C ATOM 521 SG CYS A 37 -3.663 -0.924 -4.430 1.00 0.00 S ATOM 0 H CYS A 37 -0.555 -1.556 -4.582 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.691 0.916 -5.365 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.831 -0.826 -2.891 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.682 0.704 -2.974 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.351 -2.162 -4.677 1.00 0.00 H new ATOM 527 N HIS A 38 0.665 1.012 -3.089 1.00 0.00 N ATOM 528 CA HIS A 38 1.549 1.903 -2.345 1.00 0.00 C ATOM 529 C HIS A 38 2.494 2.642 -3.287 1.00 0.00 C ATOM 530 O HIS A 38 2.945 3.747 -2.988 1.00 0.00 O ATOM 531 CB HIS A 38 2.353 1.113 -1.313 1.00 0.00 C ATOM 532 CG HIS A 38 1.593 0.821 -0.056 1.00 0.00 C ATOM 533 ND1 HIS A 38 1.206 -0.355 0.492 1.00 0.00 N flip ATOM 534 CD2 HIS A 38 1.138 1.807 0.794 1.00 0.00 C flip ATOM 535 CE1 HIS A 38 0.533 -0.061 1.652 1.00 0.00 C flip ATOM 536 NE2 HIS A 38 0.506 1.250 1.812 1.00 0.00 N flip ATOM 0 H HIS A 38 0.912 0.024 -3.026 1.00 0.00 H new ATOM 0 HA HIS A 38 0.932 2.638 -1.828 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.676 0.172 -1.759 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.254 1.672 -1.061 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.277 2.868 0.650 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.096 -0.784 2.325 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.071 1.748 2.589 1.00 0.00 H new ATOM 545 N ARG A 39 2.790 2.023 -4.426 1.00 0.00 N ATOM 546 CA ARG A 39 3.683 2.621 -5.411 1.00 0.00 C ATOM 547 C ARG A 39 2.983 3.746 -6.167 1.00 0.00 C ATOM 548 O ARG A 39 3.595 4.764 -6.494 1.00 0.00 O ATOM 549 CB ARG A 39 4.176 1.559 -6.395 1.00 0.00 C ATOM 550 CG ARG A 39 5.279 0.675 -5.836 1.00 0.00 C ATOM 551 CD ARG A 39 6.123 0.068 -6.946 1.00 0.00 C ATOM 552 NE ARG A 39 6.922 1.075 -7.639 1.00 0.00 N ATOM 553 CZ ARG A 39 7.559 0.849 -8.783 1.00 0.00 C ATOM 554 NH1 ARG A 39 7.489 -0.343 -9.360 1.00 0.00 N ATOM 555 NH2 ARG A 39 8.267 1.816 -9.352 1.00 0.00 N ATOM 0 H ARG A 39 2.424 1.108 -4.689 1.00 0.00 H new ATOM 0 HA ARG A 39 4.539 3.040 -4.882 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.335 0.932 -6.691 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.539 2.052 -7.297 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.915 1.261 -5.173 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.839 -0.121 -5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.782 -0.692 -6.526 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.473 -0.435 -7.662 1.00 0.00 H new ATOM 0 HE ARG A 39 6.995 2.003 -7.222 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.945 -1.089 -8.926 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.979 -0.514 -10.238 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.323 2.734 -8.911 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.756 1.641 -10.230 1.00 0.00 H new ATOM 569 N LYS A 40 1.698 3.556 -6.443 1.00 0.00 N ATOM 570 CA LYS A 40 0.913 4.553 -7.161 1.00 0.00 C ATOM 571 C LYS A 40 0.729 5.811 -6.317 1.00 0.00 C ATOM 572 O LYS A 40 0.816 6.928 -6.825 1.00 0.00 O ATOM 573 CB LYS A 40 -0.453 3.979 -7.543 1.00 0.00 C ATOM 574 CG LYS A 40 -0.397 2.988 -8.692 1.00 0.00 C ATOM 575 CD LYS A 40 -1.571 2.024 -8.657 1.00 0.00 C ATOM 576 CE LYS A 40 -1.459 0.969 -9.746 1.00 0.00 C ATOM 577 NZ LYS A 40 -2.748 0.256 -9.962 1.00 0.00 N ATOM 0 H LYS A 40 1.177 2.719 -6.180 1.00 0.00 H new ATOM 0 HA LYS A 40 1.454 4.820 -8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.888 3.488 -6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.119 4.798 -7.813 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.397 3.528 -9.639 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.537 2.427 -8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.615 1.539 -7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.502 2.578 -8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.144 1.440 -10.677 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.686 0.249 -9.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.630 -0.455 -10.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.036 -0.215 -9.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.480 0.939 -10.245 1.00 0.00 H new ATOM 591 N ALA A 41 0.476 5.620 -5.026 1.00 0.00 N ATOM 592 CA ALA A 41 0.285 6.739 -4.112 1.00 0.00 C ATOM 593 C ALA A 41 1.567 7.551 -3.962 1.00 0.00 C ATOM 594 O ALA A 41 1.568 8.770 -4.141 1.00 0.00 O ATOM 595 CB ALA A 41 -0.187 6.238 -2.755 1.00 0.00 C ATOM 0 H ALA A 41 0.399 4.701 -4.590 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.480 7.392 -4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.325 7.085 -2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.133 5.709 -2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.559 5.561 -2.338 1.00 0.00 H new ATOM 601 N THR A 42 2.658 6.869 -3.629 1.00 0.00 N ATOM 602 CA THR A 42 3.947 7.527 -3.453 1.00 0.00 C ATOM 603 C THR A 42 4.248 8.467 -4.614 1.00 0.00 C ATOM 604 O THR A 42 4.545 9.645 -4.412 1.00 0.00 O ATOM 605 CB THR A 42 5.089 6.501 -3.328 1.00 0.00 C ATOM 606 OG1 THR A 42 4.978 5.516 -4.362 1.00 0.00 O ATOM 607 CG2 THR A 42 5.060 5.821 -1.968 1.00 0.00 C ATOM 0 H THR A 42 2.675 5.861 -3.476 1.00 0.00 H new ATOM 0 HA THR A 42 3.884 8.103 -2.530 1.00 0.00 H new ATOM 0 HB THR A 42 6.036 7.031 -3.431 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.083 5.557 -4.758 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.876 5.101 -1.904 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.174 6.570 -1.184 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.109 5.304 -1.840 1.00 0.00 H new ATOM 615 N THR A 43 4.169 7.941 -5.832 1.00 0.00 N ATOM 616 CA THR A 43 4.433 8.733 -7.026 1.00 0.00 C ATOM 617 C THR A 43 3.612 10.017 -7.027 1.00 0.00 C ATOM 618 O THR A 43 4.099 11.077 -7.422 1.00 0.00 O ATOM 619 CB THR A 43 4.123 7.938 -8.308 1.00 0.00 C ATOM 620 OG1 THR A 43 4.873 6.719 -8.322 1.00 0.00 O ATOM 621 CG2 THR A 43 4.454 8.757 -9.546 1.00 0.00 C ATOM 0 H THR A 43 3.924 6.968 -6.017 1.00 0.00 H new ATOM 0 HA THR A 43 5.494 8.983 -7.010 1.00 0.00 H new ATOM 0 HB THR A 43 3.057 7.709 -8.318 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.455 6.071 -7.718 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.227 8.175 -10.439 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.860 9.671 -9.548 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.513 9.014 -9.540 1.00 0.00 H new ATOM 629 N TYR A 44 2.365 9.916 -6.581 1.00 0.00 N ATOM 630 CA TYR A 44 1.475 11.070 -6.532 1.00 0.00 C ATOM 631 C TYR A 44 1.973 12.099 -5.521 1.00 0.00 C ATOM 632 O TYR A 44 2.113 13.281 -5.838 1.00 0.00 O ATOM 633 CB TYR A 44 0.055 10.631 -6.171 1.00 0.00 C ATOM 634 CG TYR A 44 -0.931 11.775 -6.089 1.00 0.00 C ATOM 635 CD1 TYR A 44 -0.806 12.885 -6.915 1.00 0.00 C ATOM 636 CD2 TYR A 44 -1.985 11.746 -5.185 1.00 0.00 C ATOM 637 CE1 TYR A 44 -1.704 13.933 -6.843 1.00 0.00 C ATOM 638 CE2 TYR A 44 -2.888 12.789 -5.107 1.00 0.00 C ATOM 639 CZ TYR A 44 -2.743 13.880 -5.937 1.00 0.00 C ATOM 640 OH TYR A 44 -3.639 14.921 -5.862 1.00 0.00 O ATOM 0 H TYR A 44 1.947 9.047 -6.248 1.00 0.00 H new ATOM 0 HA TYR A 44 1.466 11.531 -7.519 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.294 9.914 -6.914 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.077 10.112 -5.213 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.006 12.930 -7.625 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.101 10.894 -4.532 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.593 14.789 -7.492 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.703 12.750 -4.400 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.721 15.346 -6.741 1.00 0.00 H new ATOM 650 N LEU A 45 2.239 11.642 -4.303 1.00 0.00 N ATOM 651 CA LEU A 45 2.722 12.521 -3.244 1.00 0.00 C ATOM 652 C LEU A 45 4.014 13.215 -3.660 1.00 0.00 C ATOM 653 O LEU A 45 4.181 14.417 -3.450 1.00 0.00 O ATOM 654 CB LEU A 45 2.949 11.725 -1.957 1.00 0.00 C ATOM 655 CG LEU A 45 1.697 11.148 -1.295 1.00 0.00 C ATOM 656 CD1 LEU A 45 2.069 10.031 -0.333 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.924 12.241 -0.573 1.00 0.00 C ATOM 0 H LEU A 45 2.128 10.667 -4.024 1.00 0.00 H new ATOM 0 HA LEU A 45 1.963 13.283 -3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.631 10.903 -2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.451 12.372 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 45 1.057 10.732 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.166 9.633 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.579 9.236 -0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.730 10.422 0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.036 11.812 -0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.556 12.687 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.625 13.008 -1.288 1.00 0.00 H new ATOM 669 N SER A 46 4.926 12.452 -4.254 1.00 0.00 N ATOM 670 CA SER A 46 6.204 12.993 -4.699 1.00 0.00 C ATOM 671 C SER A 46 5.999 14.068 -5.763 1.00 0.00 C ATOM 672 O SER A 46 6.806 14.987 -5.895 1.00 0.00 O ATOM 673 CB SER A 46 7.091 11.876 -5.251 1.00 0.00 C ATOM 674 OG SER A 46 8.339 12.385 -5.690 1.00 0.00 O ATOM 0 H SER A 46 4.803 11.456 -4.438 1.00 0.00 H new ATOM 0 HA SER A 46 6.697 13.447 -3.839 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.253 11.122 -4.481 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.585 11.381 -6.080 1.00 0.00 H new ATOM 0 HG SER A 46 8.888 11.651 -6.037 1.00 0.00 H new ATOM 680 N GLU A 47 4.912 13.943 -6.519 1.00 0.00 N ATOM 681 CA GLU A 47 4.601 14.902 -7.572 1.00 0.00 C ATOM 682 C GLU A 47 4.063 16.202 -6.981 1.00 0.00 C ATOM 683 O GLU A 47 4.150 17.261 -7.602 1.00 0.00 O ATOM 684 CB GLU A 47 3.579 14.311 -8.545 1.00 0.00 C ATOM 685 CG GLU A 47 4.206 13.502 -9.669 1.00 0.00 C ATOM 686 CD GLU A 47 4.697 14.372 -10.809 1.00 0.00 C ATOM 687 OE1 GLU A 47 4.033 15.387 -11.110 1.00 0.00 O ATOM 688 OE2 GLU A 47 5.745 14.039 -11.402 1.00 0.00 O ATOM 0 H GLU A 47 4.233 13.188 -6.422 1.00 0.00 H new ATOM 0 HA GLU A 47 5.522 15.121 -8.112 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.889 13.674 -7.992 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.990 15.120 -8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.040 12.923 -9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.475 12.789 -10.050 1.00 0.00 H new ATOM 695 N ALA A 48 3.506 16.113 -5.777 1.00 0.00 N ATOM 696 CA ALA A 48 2.956 17.281 -5.102 1.00 0.00 C ATOM 697 C ALA A 48 4.064 18.226 -4.648 1.00 0.00 C ATOM 698 O ALA A 48 4.185 19.342 -5.152 1.00 0.00 O ATOM 699 CB ALA A 48 2.106 16.853 -3.915 1.00 0.00 C ATOM 0 H ALA A 48 3.424 15.244 -5.250 1.00 0.00 H new ATOM 0 HA ALA A 48 2.326 17.817 -5.812 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.701 17.736 -3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.286 16.224 -4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.720 16.292 -3.211 1.00 0.00 H new ATOM 705 N MET A 49 4.868 17.771 -3.693 1.00 0.00 N ATOM 706 CA MET A 49 5.967 18.577 -3.172 1.00 0.00 C ATOM 707 C MET A 49 6.799 19.162 -4.309 1.00 0.00 C ATOM 708 O MET A 49 7.467 20.182 -4.143 1.00 0.00 O ATOM 709 CB MET A 49 6.855 17.734 -2.255 1.00 0.00 C ATOM 710 CG MET A 49 7.291 16.416 -2.875 1.00 0.00 C ATOM 711 SD MET A 49 7.907 15.244 -1.651 1.00 0.00 S ATOM 712 CE MET A 49 6.561 15.249 -0.470 1.00 0.00 C ATOM 0 H MET A 49 4.780 16.850 -3.264 1.00 0.00 H new ATOM 0 HA MET A 49 5.541 19.400 -2.597 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.740 18.311 -1.989 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.317 17.530 -1.329 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.449 15.972 -3.406 1.00 0.00 H new ATOM 0 HG3 MET A 49 8.069 16.606 -3.614 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.523 14.288 0.042 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.720 16.043 0.260 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.619 15.419 -0.992 1.00 0.00 H new ATOM 722 N LYS A 50 6.755 18.508 -5.465 1.00 0.00 N ATOM 723 CA LYS A 50 7.503 18.963 -6.631 1.00 0.00 C ATOM 724 C LYS A 50 6.898 20.241 -7.202 1.00 0.00 C ATOM 725 O LYS A 50 7.615 21.115 -7.692 1.00 0.00 O ATOM 726 CB LYS A 50 7.527 17.873 -7.705 1.00 0.00 C ATOM 727 CG LYS A 50 8.640 16.857 -7.517 1.00 0.00 C ATOM 728 CD LYS A 50 8.626 15.805 -8.613 1.00 0.00 C ATOM 729 CE LYS A 50 9.261 16.326 -9.893 1.00 0.00 C ATOM 730 NZ LYS A 50 10.723 16.562 -9.732 1.00 0.00 N ATOM 0 H LYS A 50 6.209 17.661 -5.619 1.00 0.00 H new ATOM 0 HA LYS A 50 8.524 19.176 -6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.569 17.354 -7.705 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.636 18.341 -8.683 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.603 17.368 -7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.532 16.374 -6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.162 14.918 -8.275 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.599 15.500 -8.813 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.095 15.610 -10.698 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.774 17.255 -10.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.179 16.567 -10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.877 17.479 -9.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.135 15.805 -9.150 1.00 0.00 H new ATOM 744 N LEU A 51 5.575 20.345 -7.134 1.00 0.00 N ATOM 745 CA LEU A 51 4.873 21.518 -7.643 1.00 0.00 C ATOM 746 C LEU A 51 4.807 22.615 -6.585 1.00 0.00 C ATOM 747 O LEU A 51 5.326 23.715 -6.781 1.00 0.00 O ATOM 748 CB LEU A 51 3.460 21.138 -8.089 1.00 0.00 C ATOM 749 CG LEU A 51 3.319 20.653 -9.532 1.00 0.00 C ATOM 750 CD1 LEU A 51 3.984 19.297 -9.707 1.00 0.00 C ATOM 751 CD2 LEU A 51 1.852 20.585 -9.931 1.00 0.00 C ATOM 0 H LEU A 51 4.967 19.631 -6.732 1.00 0.00 H new ATOM 0 HA LEU A 51 5.428 21.899 -8.501 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.089 20.356 -7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.812 22.004 -7.953 1.00 0.00 H new ATOM 0 HG LEU A 51 3.820 21.367 -10.185 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.873 18.968 -10.740 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.043 19.377 -9.463 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.513 18.572 -9.043 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.771 20.238 -10.961 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.328 19.893 -9.272 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.405 21.576 -9.846 1.00 0.00 H new ATOM 763 N THR A 52 4.167 22.308 -5.461 1.00 0.00 N ATOM 764 CA THR A 52 4.034 23.267 -4.371 1.00 0.00 C ATOM 765 C THR A 52 5.392 23.822 -3.959 1.00 0.00 C ATOM 766 O THR A 52 6.351 23.071 -3.780 1.00 0.00 O ATOM 767 CB THR A 52 3.357 22.630 -3.143 1.00 0.00 C ATOM 768 OG1 THR A 52 2.715 23.641 -2.359 1.00 0.00 O ATOM 769 CG2 THR A 52 4.374 21.889 -2.288 1.00 0.00 C ATOM 0 H THR A 52 3.733 21.403 -5.282 1.00 0.00 H new ATOM 0 HA THR A 52 3.409 24.081 -4.739 1.00 0.00 H new ATOM 0 HB THR A 52 2.613 21.916 -3.496 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.037 23.228 -1.784 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.873 21.448 -1.427 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.841 21.101 -2.879 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.138 22.587 -1.945 1.00 0.00 H new ATOM 777 N GLU A 53 5.467 25.141 -3.809 1.00 0.00 N ATOM 778 CA GLU A 53 6.709 25.795 -3.416 1.00 0.00 C ATOM 779 C GLU A 53 6.732 26.064 -1.915 1.00 0.00 C ATOM 780 O GLU A 53 7.798 26.147 -1.304 1.00 0.00 O ATOM 781 CB GLU A 53 6.885 27.108 -4.183 1.00 0.00 C ATOM 782 CG GLU A 53 8.325 27.586 -4.250 1.00 0.00 C ATOM 783 CD GLU A 53 8.433 29.083 -4.471 1.00 0.00 C ATOM 784 OE1 GLU A 53 8.263 29.526 -5.626 1.00 0.00 O ATOM 785 OE2 GLU A 53 8.687 29.810 -3.488 1.00 0.00 O ATOM 0 H GLU A 53 4.683 25.777 -3.954 1.00 0.00 H new ATOM 0 HA GLU A 53 7.534 25.126 -3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.506 26.980 -5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.277 27.879 -3.710 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.835 27.321 -3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.840 27.065 -5.057 1.00 0.00 H new ATOM 792 N SER A 54 5.548 26.201 -1.326 1.00 0.00 N ATOM 793 CA SER A 54 5.432 26.465 0.104 1.00 0.00 C ATOM 794 C SER A 54 6.105 25.363 0.917 1.00 0.00 C ATOM 795 O SER A 54 6.246 24.233 0.452 1.00 0.00 O ATOM 796 CB SER A 54 3.959 26.582 0.503 1.00 0.00 C ATOM 797 OG SER A 54 3.824 27.179 1.781 1.00 0.00 O ATOM 0 H SER A 54 4.656 26.134 -1.816 1.00 0.00 H new ATOM 0 HA SER A 54 5.936 27.408 0.317 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.424 27.176 -0.238 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.501 25.593 0.510 1.00 0.00 H new ATOM 0 HG SER A 54 2.874 27.244 2.013 1.00 0.00 H new ATOM 803 N GLU A 55 6.519 25.703 2.133 1.00 0.00 N ATOM 804 CA GLU A 55 7.178 24.743 3.011 1.00 0.00 C ATOM 805 C GLU A 55 6.156 23.838 3.693 1.00 0.00 C ATOM 806 O GLU A 55 6.181 22.619 3.521 1.00 0.00 O ATOM 807 CB GLU A 55 8.013 25.473 4.065 1.00 0.00 C ATOM 808 CG GLU A 55 9.104 24.612 4.680 1.00 0.00 C ATOM 809 CD GLU A 55 10.038 25.405 5.574 1.00 0.00 C ATOM 810 OE1 GLU A 55 10.877 26.158 5.038 1.00 0.00 O ATOM 811 OE2 GLU A 55 9.928 25.271 6.811 1.00 0.00 O ATOM 0 H GLU A 55 6.410 26.635 2.533 1.00 0.00 H new ATOM 0 HA GLU A 55 7.836 24.124 2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.469 26.352 3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.353 25.829 4.856 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.646 23.810 5.259 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.681 24.141 3.885 1.00 0.00 H new ATOM 818 N GLN A 56 5.261 24.443 4.466 1.00 0.00 N ATOM 819 CA GLN A 56 4.231 23.692 5.174 1.00 0.00 C ATOM 820 C GLN A 56 3.635 22.609 4.280 1.00 0.00 C ATOM 821 O GLN A 56 3.685 21.424 4.607 1.00 0.00 O ATOM 822 CB GLN A 56 3.128 24.632 5.662 1.00 0.00 C ATOM 823 CG GLN A 56 3.423 25.268 7.011 1.00 0.00 C ATOM 824 CD GLN A 56 2.961 24.411 8.173 1.00 0.00 C ATOM 825 OE1 GLN A 56 1.794 24.452 8.565 1.00 0.00 O ATOM 826 NE2 GLN A 56 3.877 23.628 8.732 1.00 0.00 N ATOM 0 H GLN A 56 5.228 25.451 4.618 1.00 0.00 H new ATOM 0 HA GLN A 56 4.695 23.211 6.035 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.980 25.419 4.923 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.192 24.077 5.728 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.495 25.445 7.098 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.934 26.241 7.065 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.832 23.626 8.375 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.625 23.029 9.518 1.00 0.00 H new ATOM 835 N ALA A 57 3.071 23.026 3.151 1.00 0.00 N ATOM 836 CA ALA A 57 2.467 22.092 2.209 1.00 0.00 C ATOM 837 C ALA A 57 3.407 20.930 1.909 1.00 0.00 C ATOM 838 O ALA A 57 3.028 19.764 2.029 1.00 0.00 O ATOM 839 CB ALA A 57 2.085 22.811 0.924 1.00 0.00 C ATOM 0 H ALA A 57 3.020 24.004 2.867 1.00 0.00 H new ATOM 0 HA ALA A 57 1.565 21.686 2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.635 22.101 0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.370 23.602 1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.976 23.246 0.472 1.00 0.00 H new ATOM 845 N HIS A 58 4.635 21.254 1.516 1.00 0.00 N ATOM 846 CA HIS A 58 5.630 20.237 1.198 1.00 0.00 C ATOM 847 C HIS A 58 5.799 19.260 2.358 1.00 0.00 C ATOM 848 O HIS A 58 5.694 18.045 2.181 1.00 0.00 O ATOM 849 CB HIS A 58 6.972 20.891 0.868 1.00 0.00 C ATOM 850 CG HIS A 58 8.086 19.908 0.677 1.00 0.00 C ATOM 851 ND1 HIS A 58 8.499 19.037 1.663 1.00 0.00 N ATOM 852 CD2 HIS A 58 8.874 19.661 -0.396 1.00 0.00 C ATOM 853 CE1 HIS A 58 9.494 18.298 1.205 1.00 0.00 C ATOM 854 NE2 HIS A 58 9.740 18.656 -0.042 1.00 0.00 N ATOM 0 H HIS A 58 4.965 22.214 1.410 1.00 0.00 H new ATOM 0 HA HIS A 58 5.280 19.683 0.327 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.864 21.486 -0.039 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.239 21.579 1.670 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.830 20.161 -1.352 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.017 17.531 1.757 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.457 18.252 -0.644 1.00 0.00 H new ATOM 863 N LEU A 59 6.061 19.798 3.544 1.00 0.00 N ATOM 864 CA LEU A 59 6.245 18.974 4.734 1.00 0.00 C ATOM 865 C LEU A 59 5.093 17.987 4.896 1.00 0.00 C ATOM 866 O LEU A 59 5.307 16.779 5.001 1.00 0.00 O ATOM 867 CB LEU A 59 6.354 19.857 5.978 1.00 0.00 C ATOM 868 CG LEU A 59 7.753 20.372 6.315 1.00 0.00 C ATOM 869 CD1 LEU A 59 8.498 20.762 5.047 1.00 0.00 C ATOM 870 CD2 LEU A 59 7.671 21.553 7.272 1.00 0.00 C ATOM 0 H LEU A 59 6.151 20.801 3.707 1.00 0.00 H new ATOM 0 HA LEU A 59 7.169 18.409 4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.694 20.715 5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.980 19.293 6.833 1.00 0.00 H new ATOM 0 HG LEU A 59 8.306 19.571 6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.492 21.126 5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.589 19.892 4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.948 21.547 4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.676 21.906 7.501 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.100 22.358 6.809 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.178 21.242 8.193 1.00 0.00 H new ATOM 882 N SER A 60 3.871 18.509 4.914 1.00 0.00 N ATOM 883 CA SER A 60 2.685 17.674 5.065 1.00 0.00 C ATOM 884 C SER A 60 2.733 16.485 4.110 1.00 0.00 C ATOM 885 O SER A 60 2.098 15.457 4.348 1.00 0.00 O ATOM 886 CB SER A 60 1.421 18.497 4.810 1.00 0.00 C ATOM 887 OG SER A 60 1.171 19.393 5.879 1.00 0.00 O ATOM 0 H SER A 60 3.676 19.506 4.826 1.00 0.00 H new ATOM 0 HA SER A 60 2.664 17.296 6.087 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.529 19.056 3.881 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.568 17.830 4.684 1.00 0.00 H new ATOM 0 HG SER A 60 0.359 19.908 5.691 1.00 0.00 H new ATOM 893 N LEU A 61 3.489 16.633 3.028 1.00 0.00 N ATOM 894 CA LEU A 61 3.621 15.573 2.035 1.00 0.00 C ATOM 895 C LEU A 61 4.790 14.653 2.373 1.00 0.00 C ATOM 896 O LEU A 61 4.619 13.444 2.518 1.00 0.00 O ATOM 897 CB LEU A 61 3.815 16.173 0.642 1.00 0.00 C ATOM 898 CG LEU A 61 2.727 17.137 0.169 1.00 0.00 C ATOM 899 CD1 LEU A 61 3.222 17.966 -1.006 1.00 0.00 C ATOM 900 CD2 LEU A 61 1.465 16.375 -0.208 1.00 0.00 C ATOM 0 H LEU A 61 4.020 17.477 2.816 1.00 0.00 H new ATOM 0 HA LEU A 61 2.704 14.984 2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.770 16.698 0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.886 15.357 -0.077 1.00 0.00 H new ATOM 0 HG LEU A 61 2.487 17.813 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.434 18.646 -1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.096 18.542 -0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.491 17.305 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.702 17.078 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.690 15.674 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.098 15.827 0.660 1.00 0.00 H new ATOM 912 N GLU A 62 5.978 15.237 2.499 1.00 0.00 N ATOM 913 CA GLU A 62 7.175 14.469 2.821 1.00 0.00 C ATOM 914 C GLU A 62 6.890 13.455 3.925 1.00 0.00 C ATOM 915 O GLU A 62 7.309 12.299 3.845 1.00 0.00 O ATOM 916 CB GLU A 62 8.307 15.404 3.252 1.00 0.00 C ATOM 917 CG GLU A 62 8.329 15.685 4.745 1.00 0.00 C ATOM 918 CD GLU A 62 9.555 16.468 5.173 1.00 0.00 C ATOM 919 OE1 GLU A 62 10.059 17.273 4.362 1.00 0.00 O ATOM 920 OE2 GLU A 62 10.010 16.276 6.321 1.00 0.00 O ATOM 0 H GLU A 62 6.137 16.238 2.383 1.00 0.00 H new ATOM 0 HA GLU A 62 7.481 13.929 1.925 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.261 14.965 2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.212 16.348 2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.433 16.242 5.019 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.297 14.741 5.289 1.00 0.00 H new ATOM 927 N LEU A 63 6.176 13.895 4.955 1.00 0.00 N ATOM 928 CA LEU A 63 5.835 13.027 6.076 1.00 0.00 C ATOM 929 C LEU A 63 4.872 11.928 5.640 1.00 0.00 C ATOM 930 O LEU A 63 5.013 10.772 6.040 1.00 0.00 O ATOM 931 CB LEU A 63 5.214 13.845 7.210 1.00 0.00 C ATOM 932 CG LEU A 63 6.183 14.688 8.039 1.00 0.00 C ATOM 933 CD1 LEU A 63 5.423 15.680 8.905 1.00 0.00 C ATOM 934 CD2 LEU A 63 7.065 13.794 8.899 1.00 0.00 C ATOM 0 H LEU A 63 5.822 14.848 5.037 1.00 0.00 H new ATOM 0 HA LEU A 63 6.752 12.560 6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.461 14.508 6.783 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.693 13.162 7.881 1.00 0.00 H new ATOM 0 HG LEU A 63 6.822 15.248 7.356 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.130 16.271 9.488 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.834 16.342 8.269 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.759 15.140 9.580 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.749 14.410 9.483 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.441 13.207 9.573 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.638 13.124 8.258 1.00 0.00 H new ATOM 946 N GLN A 64 3.896 12.296 4.817 1.00 0.00 N ATOM 947 CA GLN A 64 2.910 11.339 4.326 1.00 0.00 C ATOM 948 C GLN A 64 3.581 10.233 3.519 1.00 0.00 C ATOM 949 O GLN A 64 3.302 9.050 3.717 1.00 0.00 O ATOM 950 CB GLN A 64 1.863 12.050 3.467 1.00 0.00 C ATOM 951 CG GLN A 64 0.575 11.260 3.300 1.00 0.00 C ATOM 952 CD GLN A 64 -0.548 12.092 2.714 1.00 0.00 C ATOM 953 OE1 GLN A 64 -0.308 13.092 2.038 1.00 0.00 O ATOM 954 NE2 GLN A 64 -1.785 11.682 2.971 1.00 0.00 N ATOM 0 H GLN A 64 3.766 13.249 4.476 1.00 0.00 H new ATOM 0 HA GLN A 64 2.418 10.888 5.187 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.631 13.016 3.916 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.287 12.250 2.483 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.761 10.402 2.655 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.265 10.869 4.269 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.938 10.847 3.536 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.581 12.202 2.603 1.00 0.00 H new ATOM 963 N ARG A 65 4.467 10.625 2.609 1.00 0.00 N ATOM 964 CA ARG A 65 5.176 9.666 1.770 1.00 0.00 C ATOM 965 C ARG A 65 5.874 8.610 2.623 1.00 0.00 C ATOM 966 O ARG A 65 5.763 7.413 2.360 1.00 0.00 O ATOM 967 CB ARG A 65 6.200 10.385 0.890 1.00 0.00 C ATOM 968 CG ARG A 65 6.650 9.570 -0.311 1.00 0.00 C ATOM 969 CD ARG A 65 7.951 10.103 -0.891 1.00 0.00 C ATOM 970 NE ARG A 65 8.976 10.280 0.135 1.00 0.00 N ATOM 971 CZ ARG A 65 10.092 10.975 -0.053 1.00 0.00 C ATOM 972 NH1 ARG A 65 10.326 11.556 -1.222 1.00 0.00 N ATOM 973 NH2 ARG A 65 10.977 11.091 0.929 1.00 0.00 N ATOM 0 H ARG A 65 4.711 11.600 2.434 1.00 0.00 H new ATOM 0 HA ARG A 65 4.445 9.169 1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.771 11.324 0.541 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.071 10.638 1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.781 8.529 -0.017 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.874 9.590 -1.076 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.316 9.415 -1.654 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.764 11.057 -1.385 1.00 0.00 H new ATOM 0 HE ARG A 65 8.826 9.846 1.046 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.648 11.470 -1.979 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.184 12.089 -1.364 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.801 10.646 1.830 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.834 11.625 0.783 1.00 0.00 H new ATOM 987 N ASP A 66 6.593 9.063 3.644 1.00 0.00 N ATOM 988 CA ASP A 66 7.308 8.158 4.536 1.00 0.00 C ATOM 989 C ASP A 66 6.523 6.866 4.745 1.00 0.00 C ATOM 990 O ASP A 66 6.916 5.805 4.261 1.00 0.00 O ATOM 991 CB ASP A 66 7.568 8.834 5.883 1.00 0.00 C ATOM 992 CG ASP A 66 8.297 7.928 6.855 1.00 0.00 C ATOM 993 OD1 ASP A 66 9.538 7.827 6.755 1.00 0.00 O ATOM 994 OD2 ASP A 66 7.628 7.319 7.716 1.00 0.00 O ATOM 0 H ASP A 66 6.696 10.051 3.874 1.00 0.00 H new ATOM 0 HA ASP A 66 8.263 7.911 4.072 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.155 9.739 5.725 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.618 9.142 6.321 1.00 0.00 H new ATOM 999 N SER A 67 5.413 6.965 5.468 1.00 0.00 N ATOM 1000 CA SER A 67 4.575 5.804 5.744 1.00 0.00 C ATOM 1001 C SER A 67 4.285 5.026 4.465 1.00 0.00 C ATOM 1002 O SER A 67 4.627 3.849 4.349 1.00 0.00 O ATOM 1003 CB SER A 67 3.262 6.240 6.398 1.00 0.00 C ATOM 1004 OG SER A 67 2.545 7.130 5.559 1.00 0.00 O ATOM 0 H SER A 67 5.073 7.837 5.873 1.00 0.00 H new ATOM 0 HA SER A 67 5.116 5.152 6.430 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.650 5.364 6.611 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.470 6.723 7.352 1.00 0.00 H new ATOM 0 HG SER A 67 3.168 7.764 5.147 1.00 0.00 H new ATOM 1010 N HIS A 68 3.651 5.693 3.505 1.00 0.00 N ATOM 1011 CA HIS A 68 3.315 5.065 2.232 1.00 0.00 C ATOM 1012 C HIS A 68 4.417 4.107 1.791 1.00 0.00 C ATOM 1013 O HIS A 68 4.157 3.125 1.097 1.00 0.00 O ATOM 1014 CB HIS A 68 3.088 6.130 1.158 1.00 0.00 C ATOM 1015 CG HIS A 68 1.674 6.619 1.089 1.00 0.00 C ATOM 1016 ND1 HIS A 68 0.661 5.908 0.482 1.00 0.00 N ATOM 1017 CD2 HIS A 68 1.107 7.756 1.555 1.00 0.00 C ATOM 1018 CE1 HIS A 68 -0.469 6.586 0.577 1.00 0.00 C ATOM 1019 NE2 HIS A 68 -0.225 7.712 1.224 1.00 0.00 N ATOM 0 H HIS A 68 3.360 6.667 3.585 1.00 0.00 H new ATOM 0 HA HIS A 68 2.396 4.495 2.368 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.747 6.976 1.352 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.370 5.722 0.188 1.00 0.00 H new ATOM 0 HD1 HIS A 68 0.767 5.000 0.030 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.609 8.550 2.088 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.428 6.273 0.192 1.00 0.00 H new ATOM 1028 N MET A 69 5.647 4.401 2.197 1.00 0.00 N ATOM 1029 CA MET A 69 6.789 3.565 1.844 1.00 0.00 C ATOM 1030 C MET A 69 7.090 2.560 2.951 1.00 0.00 C ATOM 1031 O MET A 69 7.350 1.386 2.685 1.00 0.00 O ATOM 1032 CB MET A 69 8.021 4.432 1.577 1.00 0.00 C ATOM 1033 CG MET A 69 7.985 5.142 0.233 1.00 0.00 C ATOM 1034 SD MET A 69 8.782 4.191 -1.075 1.00 0.00 S ATOM 1035 CE MET A 69 8.213 2.538 -0.688 1.00 0.00 C ATOM 0 H MET A 69 5.879 5.212 2.771 1.00 0.00 H new ATOM 0 HA MET A 69 6.538 3.015 0.937 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.111 5.175 2.369 1.00 0.00 H new ATOM 0 HB3 MET A 69 8.912 3.807 1.625 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.949 5.336 -0.044 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.477 6.110 0.324 1.00 0.00 H new ATOM 0 HE1 MET A 69 8.594 1.839 -1.432 1.00 0.00 H new ATOM 0 HE2 MET A 69 8.575 2.251 0.299 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.123 2.517 -0.695 1.00 0.00 H new ATOM 1045 N LYS A 70 7.054 3.027 4.194 1.00 0.00 N ATOM 1046 CA LYS A 70 7.322 2.170 5.343 1.00 0.00 C ATOM 1047 C LYS A 70 6.533 0.869 5.247 1.00 0.00 C ATOM 1048 O LYS A 70 7.044 -0.203 5.571 1.00 0.00 O ATOM 1049 CB LYS A 70 6.970 2.898 6.642 1.00 0.00 C ATOM 1050 CG LYS A 70 5.547 2.650 7.111 1.00 0.00 C ATOM 1051 CD LYS A 70 5.258 3.368 8.419 1.00 0.00 C ATOM 1052 CE LYS A 70 5.765 2.576 9.614 1.00 0.00 C ATOM 1053 NZ LYS A 70 5.378 3.209 10.905 1.00 0.00 N ATOM 0 H LYS A 70 6.842 3.996 4.432 1.00 0.00 H new ATOM 0 HA LYS A 70 8.385 1.930 5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.661 2.584 7.424 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.115 3.969 6.500 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.847 2.988 6.347 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.386 1.580 7.239 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.728 4.351 8.407 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.184 3.529 8.517 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.367 1.562 9.573 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.851 2.494 9.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.743 2.639 11.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.779 4.167 10.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.341 3.264 10.968 1.00 0.00 H new ATOM 1067 N GLN A 71 5.286 0.971 4.799 1.00 0.00 N ATOM 1068 CA GLN A 71 4.426 -0.199 4.659 1.00 0.00 C ATOM 1069 C GLN A 71 4.882 -1.074 3.496 1.00 0.00 C ATOM 1070 O GLN A 71 5.124 -2.270 3.662 1.00 0.00 O ATOM 1071 CB GLN A 71 2.973 0.230 4.451 1.00 0.00 C ATOM 1072 CG GLN A 71 2.274 0.651 5.734 1.00 0.00 C ATOM 1073 CD GLN A 71 1.937 -0.527 6.627 1.00 0.00 C ATOM 1074 OE1 GLN A 71 2.892 -0.934 7.456 1.00 0.00 O flip ATOM 1075 NE2 GLN A 71 0.830 -1.065 6.574 1.00 0.00 N flip ATOM 0 H GLN A 71 4.848 1.851 4.527 1.00 0.00 H new ATOM 0 HA GLN A 71 4.497 -0.781 5.578 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.945 1.058 3.743 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.421 -0.594 3.999 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.912 1.346 6.280 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.358 1.188 5.485 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.126 -0.720 5.922 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.618 -1.856 7.182 1.00 0.00 H new ATOM 1084 N LEU A 72 4.997 -0.470 2.318 1.00 0.00 N ATOM 1085 CA LEU A 72 5.423 -1.194 1.126 1.00 0.00 C ATOM 1086 C LEU A 72 6.544 -2.174 1.456 1.00 0.00 C ATOM 1087 O LEU A 72 6.456 -3.363 1.143 1.00 0.00 O ATOM 1088 CB LEU A 72 5.889 -0.213 0.049 1.00 0.00 C ATOM 1089 CG LEU A 72 6.439 -0.836 -1.234 1.00 0.00 C ATOM 1090 CD1 LEU A 72 5.627 -2.061 -1.624 1.00 0.00 C ATOM 1091 CD2 LEU A 72 6.444 0.184 -2.364 1.00 0.00 C ATOM 0 H LEU A 72 4.801 0.519 2.163 1.00 0.00 H new ATOM 0 HA LEU A 72 4.570 -1.759 0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.050 0.431 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.660 0.427 0.478 1.00 0.00 H new ATOM 0 HG LEU A 72 7.467 -1.150 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.034 -2.491 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.676 -2.800 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.589 -1.772 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.839 -0.278 -3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.426 0.529 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.070 1.032 -2.086 1.00 0.00 H new ATOM 1103 N LEU A 73 7.596 -1.670 2.090 1.00 0.00 N ATOM 1104 CA LEU A 73 8.735 -2.501 2.465 1.00 0.00 C ATOM 1105 C LEU A 73 8.316 -3.583 3.456 1.00 0.00 C ATOM 1106 O LEU A 73 8.880 -4.678 3.471 1.00 0.00 O ATOM 1107 CB LEU A 73 9.843 -1.639 3.072 1.00 0.00 C ATOM 1108 CG LEU A 73 10.121 -0.310 2.368 1.00 0.00 C ATOM 1109 CD1 LEU A 73 11.375 0.340 2.932 1.00 0.00 C ATOM 1110 CD2 LEU A 73 10.255 -0.519 0.867 1.00 0.00 C ATOM 0 H LEU A 73 7.685 -0.689 2.356 1.00 0.00 H new ATOM 0 HA LEU A 73 9.113 -2.985 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.586 -1.430 4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.764 -2.221 3.083 1.00 0.00 H new ATOM 0 HG LEU A 73 9.278 0.358 2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.557 1.284 2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.241 0.526 3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.227 -0.324 2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.453 0.437 0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.079 -1.204 0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.330 -0.940 0.474 1.00 0.00 H new ATOM 1122 N LEU A 74 7.324 -3.269 4.281 1.00 0.00 N ATOM 1123 CA LEU A 74 6.827 -4.215 5.275 1.00 0.00 C ATOM 1124 C LEU A 74 5.846 -5.200 4.646 1.00 0.00 C ATOM 1125 O LEU A 74 5.593 -6.274 5.193 1.00 0.00 O ATOM 1126 CB LEU A 74 6.151 -3.468 6.426 1.00 0.00 C ATOM 1127 CG LEU A 74 7.079 -2.939 7.520 1.00 0.00 C ATOM 1128 CD1 LEU A 74 6.311 -2.053 8.489 1.00 0.00 C ATOM 1129 CD2 LEU A 74 7.742 -4.092 8.259 1.00 0.00 C ATOM 0 H LEU A 74 6.848 -2.367 4.282 1.00 0.00 H new ATOM 0 HA LEU A 74 7.677 -4.776 5.664 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.596 -2.627 6.010 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.422 -4.135 6.887 1.00 0.00 H new ATOM 0 HG LEU A 74 7.858 -2.338 7.051 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.988 -1.686 9.261 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.884 -1.208 7.949 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.511 -2.629 8.953 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.399 -3.698 9.034 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.977 -4.719 8.717 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.326 -4.687 7.556 1.00 0.00 H new ATOM 1141 N ILE A 75 5.298 -4.828 3.495 1.00 0.00 N ATOM 1142 CA ILE A 75 4.348 -5.679 2.791 1.00 0.00 C ATOM 1143 C ILE A 75 5.065 -6.653 1.862 1.00 0.00 C ATOM 1144 O ILE A 75 4.691 -7.821 1.762 1.00 0.00 O ATOM 1145 CB ILE A 75 3.346 -4.847 1.969 1.00 0.00 C ATOM 1146 CG1 ILE A 75 2.512 -3.955 2.892 1.00 0.00 C ATOM 1147 CG2 ILE A 75 2.446 -5.759 1.149 1.00 0.00 C ATOM 1148 CD1 ILE A 75 1.382 -3.243 2.183 1.00 0.00 C ATOM 0 H ILE A 75 5.496 -3.942 3.030 1.00 0.00 H new ATOM 0 HA ILE A 75 3.804 -6.239 3.552 1.00 0.00 H new ATOM 0 HB ILE A 75 3.903 -4.208 1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.099 -4.564 3.697 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.164 -3.214 3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.744 -5.156 0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.055 -6.355 0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.894 -6.421 1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.834 -2.629 2.898 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.789 -2.608 1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.708 -3.978 1.743 1.00 0.00 H new ATOM 1160 N GLN A 76 6.099 -6.163 1.184 1.00 0.00 N ATOM 1161 CA GLN A 76 6.870 -6.990 0.264 1.00 0.00 C ATOM 1162 C GLN A 76 7.446 -8.208 0.979 1.00 0.00 C ATOM 1163 O GLN A 76 7.295 -9.339 0.518 1.00 0.00 O ATOM 1164 CB GLN A 76 7.998 -6.173 -0.367 1.00 0.00 C ATOM 1165 CG GLN A 76 7.531 -5.249 -1.480 1.00 0.00 C ATOM 1166 CD GLN A 76 8.664 -4.810 -2.388 1.00 0.00 C ATOM 1167 OE1 GLN A 76 9.193 -5.604 -3.167 1.00 0.00 O ATOM 1168 NE2 GLN A 76 9.042 -3.541 -2.292 1.00 0.00 N ATOM 0 H GLN A 76 6.421 -5.198 1.255 1.00 0.00 H new ATOM 0 HA GLN A 76 6.199 -7.337 -0.522 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.482 -5.579 0.408 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.751 -6.854 -0.764 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.771 -5.757 -2.074 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.059 -4.369 -1.043 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.575 -2.918 -1.632 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.799 -3.189 -2.878 1.00 0.00 H new ATOM 1177 N GLU A 77 8.107 -7.968 2.107 1.00 0.00 N ATOM 1178 CA GLU A 77 8.707 -9.046 2.885 1.00 0.00 C ATOM 1179 C GLU A 77 7.640 -10.015 3.385 1.00 0.00 C ATOM 1180 O GLU A 77 7.869 -11.222 3.461 1.00 0.00 O ATOM 1181 CB GLU A 77 9.490 -8.475 4.069 1.00 0.00 C ATOM 1182 CG GLU A 77 8.630 -7.692 5.047 1.00 0.00 C ATOM 1183 CD GLU A 77 9.239 -7.623 6.434 1.00 0.00 C ATOM 1184 OE1 GLU A 77 10.264 -8.298 6.665 1.00 0.00 O ATOM 1185 OE2 GLU A 77 8.691 -6.894 7.287 1.00 0.00 O ATOM 0 H GLU A 77 8.241 -7.037 2.502 1.00 0.00 H new ATOM 0 HA GLU A 77 9.392 -9.591 2.236 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.977 -9.293 4.600 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.280 -7.825 3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.484 -6.681 4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.645 -8.154 5.109 1.00 0.00 H new ATOM 1192 N ARG A 78 6.474 -9.476 3.727 1.00 0.00 N ATOM 1193 CA ARG A 78 5.371 -10.292 4.222 1.00 0.00 C ATOM 1194 C ARG A 78 4.733 -11.089 3.088 1.00 0.00 C ATOM 1195 O ARG A 78 3.919 -11.982 3.326 1.00 0.00 O ATOM 1196 CB ARG A 78 4.319 -9.410 4.896 1.00 0.00 C ATOM 1197 CG ARG A 78 4.778 -8.813 6.216 1.00 0.00 C ATOM 1198 CD ARG A 78 4.802 -9.858 7.321 1.00 0.00 C ATOM 1199 NE ARG A 78 4.606 -9.264 8.640 1.00 0.00 N ATOM 1200 CZ ARG A 78 3.477 -8.678 9.022 1.00 0.00 C ATOM 1201 NH1 ARG A 78 2.448 -8.608 8.188 1.00 0.00 N ATOM 1202 NH2 ARG A 78 3.374 -8.160 10.239 1.00 0.00 N ATOM 0 H ARG A 78 6.269 -8.478 3.670 1.00 0.00 H new ATOM 0 HA ARG A 78 5.770 -10.993 4.955 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.046 -8.602 4.217 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.419 -10.000 5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.773 -8.385 6.097 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.112 -7.998 6.499 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.023 -10.598 7.137 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.755 -10.387 7.299 1.00 0.00 H new ATOM 0 HE ARG A 78 5.379 -9.301 9.305 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.523 -9.005 7.251 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.582 -8.158 8.483 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.163 -8.211 10.884 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.506 -7.710 10.530 1.00 0.00 H new ATOM 1216 N TRP A 79 5.106 -10.759 1.857 1.00 0.00 N ATOM 1217 CA TRP A 79 4.569 -11.444 0.687 1.00 0.00 C ATOM 1218 C TRP A 79 5.414 -12.663 0.334 1.00 0.00 C ATOM 1219 O TRP A 79 4.889 -13.759 0.138 1.00 0.00 O ATOM 1220 CB TRP A 79 4.509 -10.488 -0.506 1.00 0.00 C ATOM 1221 CG TRP A 79 3.780 -11.056 -1.686 1.00 0.00 C ATOM 1222 CD1 TRP A 79 2.790 -11.997 -1.663 1.00 0.00 C ATOM 1223 CD2 TRP A 79 3.986 -10.721 -3.063 1.00 0.00 C ATOM 1224 NE1 TRP A 79 2.368 -12.266 -2.943 1.00 0.00 N ATOM 1225 CE2 TRP A 79 3.086 -11.496 -3.819 1.00 0.00 C ATOM 1226 CE3 TRP A 79 4.842 -9.841 -3.730 1.00 0.00 C ATOM 1227 CZ2 TRP A 79 3.020 -11.417 -5.208 1.00 0.00 C ATOM 1228 CZ3 TRP A 79 4.776 -9.763 -5.108 1.00 0.00 C ATOM 1229 CH2 TRP A 79 3.870 -10.546 -5.835 1.00 0.00 C ATOM 0 H TRP A 79 5.778 -10.022 1.643 1.00 0.00 H new ATOM 0 HA TRP A 79 3.560 -11.781 0.926 1.00 0.00 H new ATOM 0 HB2 TRP A 79 4.021 -9.563 -0.197 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.524 -10.228 -0.806 1.00 0.00 H new ATOM 0 HD1 TRP A 79 2.397 -12.461 -0.771 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.638 -12.931 -3.199 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.543 -9.232 -3.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 2.323 -12.021 -5.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 5.434 -9.087 -5.634 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.842 -10.461 -6.911 1.00 0.00 H new ATOM 1240 N LYS A 80 6.726 -12.466 0.255 1.00 0.00 N ATOM 1241 CA LYS A 80 7.645 -13.550 -0.072 1.00 0.00 C ATOM 1242 C LYS A 80 7.319 -14.802 0.736 1.00 0.00 C ATOM 1243 O LYS A 80 7.179 -15.891 0.180 1.00 0.00 O ATOM 1244 CB LYS A 80 9.089 -13.119 0.194 1.00 0.00 C ATOM 1245 CG LYS A 80 9.446 -11.775 -0.418 1.00 0.00 C ATOM 1246 CD LYS A 80 10.924 -11.465 -0.258 1.00 0.00 C ATOM 1247 CE LYS A 80 11.183 -9.966 -0.264 1.00 0.00 C ATOM 1248 NZ LYS A 80 12.547 -9.640 -0.765 1.00 0.00 N ATOM 0 H LYS A 80 7.177 -11.565 0.413 1.00 0.00 H new ATOM 0 HA LYS A 80 7.531 -13.783 -1.131 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.253 -13.073 1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.764 -13.879 -0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.186 -11.776 -1.477 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.855 -10.990 0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.288 -11.894 0.675 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.485 -11.935 -1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.439 -9.472 -0.889 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.064 -9.573 0.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.684 -8.609 -0.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.258 -10.091 -0.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.653 -9.992 -1.738 1.00 0.00 H new ATOM 1262 N ARG A 81 7.199 -14.638 2.049 1.00 0.00 N ATOM 1263 CA ARG A 81 6.890 -15.756 2.933 1.00 0.00 C ATOM 1264 C ARG A 81 5.556 -16.393 2.556 1.00 0.00 C ATOM 1265 O ARG A 81 5.425 -17.617 2.534 1.00 0.00 O ATOM 1266 CB ARG A 81 6.851 -15.287 4.388 1.00 0.00 C ATOM 1267 CG ARG A 81 8.221 -14.962 4.961 1.00 0.00 C ATOM 1268 CD ARG A 81 8.562 -13.490 4.787 1.00 0.00 C ATOM 1269 NE ARG A 81 9.833 -13.145 5.418 1.00 0.00 N ATOM 1270 CZ ARG A 81 11.018 -13.424 4.885 1.00 0.00 C ATOM 1271 NH1 ARG A 81 11.093 -14.050 3.719 1.00 0.00 N ATOM 1272 NH2 ARG A 81 12.130 -13.078 5.520 1.00 0.00 N ATOM 0 H ARG A 81 7.311 -13.742 2.524 1.00 0.00 H new ATOM 0 HA ARG A 81 7.675 -16.504 2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.218 -14.402 4.459 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.386 -16.061 4.998 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.244 -15.219 6.020 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.977 -15.573 4.468 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.608 -13.252 3.724 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.767 -12.880 5.216 1.00 0.00 H new ATOM 0 HE ARG A 81 9.810 -12.664 6.317 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.240 -14.319 3.229 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.004 -14.263 3.312 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.076 -12.597 6.418 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.039 -13.293 5.110 1.00 0.00 H new