USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 552 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 58 ASN : amide:sc= 0.518 K(o=1.9,f=-0.061) USER MOD Set 1.2: A 69 THR OG1 : rot 25:sc= 1.34 USER MOD Set 2.1: A 40 SER OG : rot -76:sc= 1.71 USER MOD Set 2.2: A 42 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.039) USER MOD Set 2.3: A 43 THR OG1 : rot 180:sc= 1.08 USER MOD Set 3.1: A 36 THR OG1 : rot -81:sc= 1.03 USER MOD Set 3.2: A 37 SER OG : rot -130:sc= 0 USER MOD Set 4.1: A 26 THR OG1 : rot -83:sc= 2.07 USER MOD Set 4.2: A 68 TYR OH : rot 64:sc= 1.44 USER MOD Set 5.1: A 21 HIS : no HD1:sc= 0.81 K(o=1.1,f=-8!) USER MOD Set 5.2: A 22 SER OG : rot 114:sc= 0.33 USER MOD Single : A 8 SER OG : rot 79:sc= 0.844 USER MOD Single : A 15 MET CE :methyl 179:sc= -1.62 (180deg=-1.74) USER MOD Single : A 16 LYS NZ :NH3+ 169:sc=-0.00196 (180deg=-0.0966) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 9:sc= 0.277 USER MOD Single : A 25 ASN : amide:sc= 2.06 K(o=2.1,f=-7.8!) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.173 F(o=-0.8!,f=-0.17) USER MOD Single : A 31 LYS NZ :NH3+ -114:sc= -0.0225 (180deg=-0.138) USER MOD Single : A 34 SER OG : rot -86:sc= 1.22 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 52:sc= 0.361 USER MOD Single : A 45 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.55) USER MOD Single : A 46 THR OG1 : rot 75:sc= 0.971 USER MOD Single : A 47 MET CE :methyl -167:sc= -0.0057 (180deg=-0.0439) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -147:sc= -0.0315 (180deg=-0.847) USER MOD Single : A 59 HIS : no HD1:sc= 0.00203 K(o=0.002,f=-2.6) USER MOD Single : A 60 HIS : no HD1:sc= -0.491 K(o=-0.49,f=-2.4) USER MOD Single : A 61 LYS NZ :NH3+ 149:sc= 1.06 (180deg=0.496) USER MOD Single : A 71 ASN : amide:sc= 0.642 K(o=0.64,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 133 N SER A 8 7.637 4.169 -5.082 1.00 0.00 N ATOM 134 CA SER A 8 8.190 3.474 -6.235 1.00 0.00 C ATOM 135 C SER A 8 7.063 2.793 -7.021 1.00 0.00 C ATOM 136 O SER A 8 5.960 2.636 -6.505 1.00 0.00 O ATOM 137 CB SER A 8 9.197 2.426 -5.742 1.00 0.00 C ATOM 138 OG SER A 8 10.045 2.968 -4.748 1.00 0.00 O ATOM 0 HA SER A 8 8.692 4.184 -6.892 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.664 1.564 -5.340 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.795 2.068 -6.580 1.00 0.00 H new ATOM 0 HG SER A 8 9.571 2.992 -3.891 1.00 0.00 H new ATOM 144 N ASP A 9 7.344 2.332 -8.244 1.00 0.00 N ATOM 145 CA ASP A 9 6.356 1.656 -9.084 1.00 0.00 C ATOM 146 C ASP A 9 5.682 0.488 -8.352 1.00 0.00 C ATOM 147 O ASP A 9 4.458 0.386 -8.326 1.00 0.00 O ATOM 148 CB ASP A 9 7.015 1.179 -10.381 1.00 0.00 C ATOM 149 CG ASP A 9 6.026 0.400 -11.242 1.00 0.00 C ATOM 150 OD1 ASP A 9 5.240 1.067 -11.948 1.00 0.00 O ATOM 151 OD2 ASP A 9 6.073 -0.847 -11.169 1.00 0.00 O ATOM 0 H ASP A 9 8.263 2.418 -8.677 1.00 0.00 H new ATOM 0 HA ASP A 9 5.572 2.374 -9.324 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.391 2.037 -10.939 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.873 0.549 -10.147 1.00 0.00 H new ATOM 156 N ALA A 10 6.485 -0.395 -7.750 1.00 0.00 N ATOM 157 CA ALA A 10 5.971 -1.545 -7.016 1.00 0.00 C ATOM 158 C ALA A 10 4.973 -1.092 -5.948 1.00 0.00 C ATOM 159 O ALA A 10 3.835 -1.555 -5.910 1.00 0.00 O ATOM 160 CB ALA A 10 7.133 -2.330 -6.402 1.00 0.00 C ATOM 0 H ALA A 10 7.503 -0.330 -7.760 1.00 0.00 H new ATOM 0 HA ALA A 10 5.441 -2.205 -7.703 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.743 -3.188 -5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.797 -2.676 -7.194 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.687 -1.686 -5.720 1.00 0.00 H new ATOM 166 N GLU A 11 5.402 -0.153 -5.100 1.00 0.00 N ATOM 167 CA GLU A 11 4.570 0.431 -4.060 1.00 0.00 C ATOM 168 C GLU A 11 3.289 1.005 -4.678 1.00 0.00 C ATOM 169 O GLU A 11 2.196 0.813 -4.153 1.00 0.00 O ATOM 170 CB GLU A 11 5.359 1.528 -3.333 1.00 0.00 C ATOM 171 CG GLU A 11 6.515 0.987 -2.484 1.00 0.00 C ATOM 172 CD GLU A 11 7.345 2.137 -1.920 1.00 0.00 C ATOM 173 OE1 GLU A 11 8.112 2.721 -2.720 1.00 0.00 O ATOM 174 OE2 GLU A 11 7.181 2.430 -0.716 1.00 0.00 O ATOM 0 H GLU A 11 6.350 0.223 -5.122 1.00 0.00 H new ATOM 0 HA GLU A 11 4.289 -0.338 -3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.755 2.228 -4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.679 2.090 -2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.122 0.380 -1.669 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.147 0.337 -3.090 1.00 0.00 H new ATOM 181 N LEU A 12 3.418 1.716 -5.800 1.00 0.00 N ATOM 182 CA LEU A 12 2.278 2.315 -6.472 1.00 0.00 C ATOM 183 C LEU A 12 1.276 1.247 -6.914 1.00 0.00 C ATOM 184 O LEU A 12 0.069 1.464 -6.812 1.00 0.00 O ATOM 185 CB LEU A 12 2.743 3.161 -7.663 1.00 0.00 C ATOM 186 CG LEU A 12 1.616 4.016 -8.263 1.00 0.00 C ATOM 187 CD1 LEU A 12 1.110 5.058 -7.256 1.00 0.00 C ATOM 188 CD2 LEU A 12 2.153 4.704 -9.521 1.00 0.00 C ATOM 0 H LEU A 12 4.312 1.888 -6.261 1.00 0.00 H new ATOM 0 HA LEU A 12 1.770 2.970 -5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.557 3.813 -7.344 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.144 2.504 -8.435 1.00 0.00 H new ATOM 0 HG LEU A 12 0.771 3.375 -8.515 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.313 5.647 -7.711 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.727 4.552 -6.370 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.930 5.717 -6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.368 5.317 -9.964 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.001 5.336 -9.256 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.473 3.950 -10.240 1.00 0.00 H new ATOM 200 N GLU A 13 1.762 0.100 -7.406 1.00 0.00 N ATOM 201 CA GLU A 13 0.899 -0.997 -7.829 1.00 0.00 C ATOM 202 C GLU A 13 -0.042 -1.348 -6.684 1.00 0.00 C ATOM 203 O GLU A 13 -1.267 -1.328 -6.820 1.00 0.00 O ATOM 204 CB GLU A 13 1.746 -2.190 -8.338 1.00 0.00 C ATOM 205 CG GLU A 13 1.726 -3.547 -7.620 1.00 0.00 C ATOM 206 CD GLU A 13 0.376 -4.271 -7.622 1.00 0.00 C ATOM 207 OE1 GLU A 13 -0.493 -3.874 -8.428 1.00 0.00 O ATOM 208 OE2 GLU A 13 0.245 -5.228 -6.828 1.00 0.00 O ATOM 0 H GLU A 13 2.758 -0.088 -7.519 1.00 0.00 H new ATOM 0 HA GLU A 13 0.280 -0.702 -8.676 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.449 -2.373 -9.371 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.784 -1.857 -8.359 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.468 -4.196 -8.085 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.037 -3.397 -6.586 1.00 0.00 H new ATOM 215 N VAL A 14 0.553 -1.625 -5.526 1.00 0.00 N ATOM 216 CA VAL A 14 -0.222 -2.041 -4.377 1.00 0.00 C ATOM 217 C VAL A 14 -1.120 -0.903 -3.922 1.00 0.00 C ATOM 218 O VAL A 14 -2.294 -1.136 -3.658 1.00 0.00 O ATOM 219 CB VAL A 14 0.655 -2.675 -3.287 1.00 0.00 C ATOM 220 CG1 VAL A 14 1.680 -3.582 -3.981 1.00 0.00 C ATOM 221 CG2 VAL A 14 1.349 -1.735 -2.295 1.00 0.00 C ATOM 0 H VAL A 14 1.559 -1.568 -5.366 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.893 -2.853 -4.657 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.034 -3.220 -2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.320 -4.048 -3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.159 -4.355 -4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.291 -2.987 -4.660 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.932 -2.322 -1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.010 -1.059 -2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.599 -1.156 -1.757 1.00 0.00 H new ATOM 231 N MET A 15 -0.602 0.330 -3.885 1.00 0.00 N ATOM 232 CA MET A 15 -1.402 1.488 -3.527 1.00 0.00 C ATOM 233 C MET A 15 -2.675 1.542 -4.362 1.00 0.00 C ATOM 234 O MET A 15 -3.757 1.672 -3.799 1.00 0.00 O ATOM 235 CB MET A 15 -0.603 2.773 -3.723 1.00 0.00 C ATOM 236 CG MET A 15 0.497 2.939 -2.677 1.00 0.00 C ATOM 237 SD MET A 15 0.106 4.083 -1.318 1.00 0.00 S ATOM 238 CE MET A 15 -1.571 3.578 -0.864 1.00 0.00 C ATOM 0 H MET A 15 0.372 0.543 -4.101 1.00 0.00 H new ATOM 0 HA MET A 15 -1.674 1.397 -2.475 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.158 2.773 -4.718 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.278 3.628 -3.676 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.724 1.961 -2.253 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.401 3.288 -3.176 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.922 4.188 -0.031 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.235 3.713 -1.718 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.568 2.529 -0.569 1.00 0.00 H new ATOM 248 N LYS A 16 -2.555 1.432 -5.687 1.00 0.00 N ATOM 249 CA LYS A 16 -3.707 1.441 -6.576 1.00 0.00 C ATOM 250 C LYS A 16 -4.655 0.298 -6.209 1.00 0.00 C ATOM 251 O LYS A 16 -5.861 0.514 -6.127 1.00 0.00 O ATOM 252 CB LYS A 16 -3.244 1.377 -8.036 1.00 0.00 C ATOM 253 CG LYS A 16 -4.347 1.894 -8.966 1.00 0.00 C ATOM 254 CD LYS A 16 -3.877 1.871 -10.425 1.00 0.00 C ATOM 255 CE LYS A 16 -4.932 2.478 -11.359 1.00 0.00 C ATOM 256 NZ LYS A 16 -5.093 3.929 -11.146 1.00 0.00 N ATOM 0 H LYS A 16 -1.660 1.335 -6.166 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.262 2.372 -6.457 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.341 1.973 -8.165 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.988 0.351 -8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.240 1.279 -8.856 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.622 2.910 -8.683 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.943 2.426 -10.518 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.669 0.844 -10.726 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.648 2.294 -12.395 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.888 1.980 -11.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.670 4.330 -11.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.564 4.096 -10.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.158 4.385 -11.141 1.00 0.00 H new ATOM 270 N VAL A 17 -4.129 -0.908 -5.971 1.00 0.00 N ATOM 271 CA VAL A 17 -4.970 -2.024 -5.543 1.00 0.00 C ATOM 272 C VAL A 17 -5.735 -1.653 -4.263 1.00 0.00 C ATOM 273 O VAL A 17 -6.936 -1.900 -4.176 1.00 0.00 O ATOM 274 CB VAL A 17 -4.150 -3.320 -5.397 1.00 0.00 C ATOM 275 CG1 VAL A 17 -4.988 -4.432 -4.754 1.00 0.00 C ATOM 276 CG2 VAL A 17 -3.669 -3.810 -6.769 1.00 0.00 C ATOM 0 H VAL A 17 -3.139 -1.132 -6.066 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.712 -2.223 -6.316 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.295 -3.093 -4.760 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.385 -5.335 -4.663 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.317 -4.114 -3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.858 -4.638 -5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.092 -4.726 -6.646 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.530 -4.007 -7.408 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.043 -3.046 -7.229 1.00 0.00 H new ATOM 286 N ILE A 18 -5.072 -1.051 -3.268 1.00 0.00 N ATOM 287 CA ILE A 18 -5.757 -0.644 -2.045 1.00 0.00 C ATOM 288 C ILE A 18 -6.834 0.393 -2.387 1.00 0.00 C ATOM 289 O ILE A 18 -7.993 0.221 -2.024 1.00 0.00 O ATOM 290 CB ILE A 18 -4.781 -0.126 -0.967 1.00 0.00 C ATOM 291 CG1 ILE A 18 -3.614 -1.116 -0.744 1.00 0.00 C ATOM 292 CG2 ILE A 18 -5.591 0.176 0.307 1.00 0.00 C ATOM 293 CD1 ILE A 18 -2.997 -1.094 0.656 1.00 0.00 C ATOM 0 H ILE A 18 -4.074 -0.839 -3.288 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.235 -1.522 -1.611 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.302 0.798 -1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.971 -2.125 -0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.832 -0.900 -1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.922 0.544 1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.344 0.933 0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.081 -0.735 0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.189 -1.823 0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.603 -0.099 0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.760 -1.344 1.394 1.00 0.00 H new ATOM 305 N TRP A 19 -6.450 1.456 -3.096 1.00 0.00 N ATOM 306 CA TRP A 19 -7.283 2.553 -3.537 1.00 0.00 C ATOM 307 C TRP A 19 -8.487 2.079 -4.362 1.00 0.00 C ATOM 308 O TRP A 19 -9.527 2.731 -4.353 1.00 0.00 O ATOM 309 CB TRP A 19 -6.349 3.511 -4.296 1.00 0.00 C ATOM 310 CG TRP A 19 -5.500 4.446 -3.470 1.00 0.00 C ATOM 311 CD1 TRP A 19 -5.823 4.945 -2.253 1.00 0.00 C ATOM 312 CD2 TRP A 19 -4.189 5.019 -3.785 1.00 0.00 C ATOM 313 NE1 TRP A 19 -4.797 5.730 -1.772 1.00 0.00 N ATOM 314 CE2 TRP A 19 -3.760 5.798 -2.671 1.00 0.00 C ATOM 315 CE3 TRP A 19 -3.310 4.970 -4.890 1.00 0.00 C ATOM 316 CZ2 TRP A 19 -2.517 6.440 -2.629 1.00 0.00 C ATOM 317 CZ3 TRP A 19 -2.098 5.687 -4.895 1.00 0.00 C ATOM 318 CH2 TRP A 19 -1.675 6.377 -3.746 1.00 0.00 C ATOM 0 H TRP A 19 -5.481 1.572 -3.392 1.00 0.00 H new ATOM 0 HA TRP A 19 -7.745 3.068 -2.695 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.684 2.912 -4.918 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.958 4.114 -4.969 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.751 4.755 -1.734 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -4.806 6.199 -0.866 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -3.573 4.370 -5.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -2.211 6.978 -1.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -1.490 5.707 -5.787 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -0.707 6.855 -3.725 1.00 0.00 H new ATOM 329 N LYS A 20 -8.359 0.960 -5.080 1.00 0.00 N ATOM 330 CA LYS A 20 -9.461 0.364 -5.821 1.00 0.00 C ATOM 331 C LYS A 20 -10.515 -0.186 -4.846 1.00 0.00 C ATOM 332 O LYS A 20 -11.702 -0.207 -5.169 1.00 0.00 O ATOM 333 CB LYS A 20 -8.904 -0.721 -6.759 1.00 0.00 C ATOM 334 CG LYS A 20 -9.957 -1.482 -7.576 1.00 0.00 C ATOM 335 CD LYS A 20 -10.790 -0.555 -8.470 1.00 0.00 C ATOM 336 CE LYS A 20 -11.723 -1.379 -9.362 1.00 0.00 C ATOM 337 NZ LYS A 20 -12.559 -0.510 -10.209 1.00 0.00 N ATOM 0 H LYS A 20 -7.483 0.444 -5.161 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.959 1.115 -6.434 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.199 -0.256 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.341 -1.439 -6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.461 -2.229 -8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.620 -2.019 -6.898 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.374 0.128 -7.854 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.131 0.056 -9.087 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.133 -2.045 -9.991 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.361 -2.008 -8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.180 -1.097 -10.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.139 0.108 -9.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.949 0.072 -10.817 1.00 0.00 H new ATOM 351 N HIS A 21 -10.084 -0.660 -3.672 1.00 0.00 N ATOM 352 CA HIS A 21 -10.950 -1.173 -2.617 1.00 0.00 C ATOM 353 C HIS A 21 -11.326 -0.001 -1.691 1.00 0.00 C ATOM 354 O HIS A 21 -10.914 1.134 -1.921 1.00 0.00 O ATOM 355 CB HIS A 21 -10.199 -2.310 -1.898 1.00 0.00 C ATOM 356 CG HIS A 21 -11.051 -3.326 -1.167 1.00 0.00 C ATOM 357 ND1 HIS A 21 -12.287 -3.025 -0.579 1.00 0.00 N ATOM 358 CD2 HIS A 21 -10.764 -4.642 -0.923 1.00 0.00 C ATOM 359 CE1 HIS A 21 -12.657 -4.157 0.033 1.00 0.00 C ATOM 360 NE2 HIS A 21 -11.773 -5.153 -0.137 1.00 0.00 N ATOM 0 H HIS A 21 -9.094 -0.696 -3.427 1.00 0.00 H new ATOM 0 HA HIS A 21 -11.881 -1.590 -3.000 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.594 -2.839 -2.635 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -9.510 -1.864 -1.181 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -9.901 -5.183 -1.282 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -13.569 -4.258 0.603 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -11.836 -6.099 0.240 1.00 0.00 H new ATOM 368 N SER A 22 -12.128 -0.241 -0.651 1.00 0.00 N ATOM 369 CA SER A 22 -12.506 0.803 0.299 1.00 0.00 C ATOM 370 C SER A 22 -11.288 1.053 1.188 1.00 0.00 C ATOM 371 O SER A 22 -10.746 2.153 1.276 1.00 0.00 O ATOM 372 CB SER A 22 -13.697 0.283 1.115 1.00 0.00 C ATOM 373 OG SER A 22 -13.465 -1.054 1.540 1.00 0.00 O ATOM 0 H SER A 22 -12.529 -1.156 -0.446 1.00 0.00 H new ATOM 0 HA SER A 22 -12.798 1.734 -0.186 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.858 0.923 1.982 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.605 0.327 0.513 1.00 0.00 H new ATOM 0 HG SER A 22 -13.385 -1.078 2.516 1.00 0.00 H new ATOM 379 N SER A 23 -10.879 0.010 1.898 1.00 0.00 N ATOM 380 CA SER A 23 -9.527 -0.145 2.396 1.00 0.00 C ATOM 381 C SER A 23 -9.182 -1.587 2.002 1.00 0.00 C ATOM 382 O SER A 23 -9.889 -2.138 1.164 1.00 0.00 O ATOM 383 CB SER A 23 -9.531 0.175 3.890 1.00 0.00 C ATOM 384 OG SER A 23 -9.781 1.561 4.034 1.00 0.00 O ATOM 0 H SER A 23 -11.493 -0.765 2.147 1.00 0.00 H new ATOM 0 HA SER A 23 -8.766 0.523 1.992 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.297 -0.407 4.403 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.574 -0.090 4.340 1.00 0.00 H new ATOM 0 HG SER A 23 -10.022 1.942 3.164 1.00 0.00 H new ATOM 390 N ILE A 24 -8.235 -2.281 2.634 1.00 0.00 N ATOM 391 CA ILE A 24 -8.055 -3.703 2.338 1.00 0.00 C ATOM 392 C ILE A 24 -7.483 -4.436 3.549 1.00 0.00 C ATOM 393 O ILE A 24 -6.613 -3.870 4.216 1.00 0.00 O ATOM 394 CB ILE A 24 -7.274 -3.887 1.024 1.00 0.00 C ATOM 395 CG1 ILE A 24 -7.353 -5.332 0.509 1.00 0.00 C ATOM 396 CG2 ILE A 24 -5.824 -3.439 1.196 1.00 0.00 C ATOM 397 CD1 ILE A 24 -6.954 -5.437 -0.967 1.00 0.00 C ATOM 0 H ILE A 24 -7.599 -1.897 3.333 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.020 -4.176 2.157 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.742 -3.255 0.269 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.699 -5.967 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.368 -5.708 0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.287 -3.576 0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.799 -2.386 1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.349 -4.034 1.976 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.024 -6.476 -1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.624 -4.824 -1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.930 -5.086 -1.093 1.00 0.00 H new ATOM 409 N ASN A 25 -7.951 -5.659 3.842 1.00 0.00 N ATOM 410 CA ASN A 25 -7.355 -6.479 4.897 1.00 0.00 C ATOM 411 C ASN A 25 -6.148 -7.206 4.330 1.00 0.00 C ATOM 412 O ASN A 25 -6.061 -7.446 3.127 1.00 0.00 O ATOM 413 CB ASN A 25 -8.326 -7.430 5.607 1.00 0.00 C ATOM 414 CG ASN A 25 -8.996 -8.429 4.681 1.00 0.00 C ATOM 415 OD1 ASN A 25 -8.322 -9.184 3.988 1.00 0.00 O ATOM 416 ND2 ASN A 25 -10.325 -8.435 4.672 1.00 0.00 N ATOM 0 H ASN A 25 -8.738 -6.097 3.363 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.045 -5.801 5.692 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.785 -7.974 6.382 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.095 -6.841 6.108 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.828 -9.087 4.070 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.842 -7.787 5.267 1.00 0.00 H new ATOM 423 N THR A 26 -5.207 -7.553 5.205 1.00 0.00 N ATOM 424 CA THR A 26 -3.958 -8.157 4.778 1.00 0.00 C ATOM 425 C THR A 26 -4.174 -9.445 3.979 1.00 0.00 C ATOM 426 O THR A 26 -3.463 -9.675 3.009 1.00 0.00 O ATOM 427 CB THR A 26 -2.987 -8.316 5.959 1.00 0.00 C ATOM 428 OG1 THR A 26 -2.940 -7.123 6.721 1.00 0.00 O ATOM 429 CG2 THR A 26 -1.563 -8.562 5.444 1.00 0.00 C ATOM 0 H THR A 26 -5.291 -7.424 6.213 1.00 0.00 H new ATOM 0 HA THR A 26 -3.479 -7.472 4.078 1.00 0.00 H new ATOM 0 HB THR A 26 -3.338 -9.153 6.562 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.319 -6.491 6.302 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.884 -8.673 6.290 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.545 -9.471 4.843 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.246 -7.717 4.833 1.00 0.00 H new ATOM 437 N ASN A 27 -5.155 -10.284 4.329 1.00 0.00 N ATOM 438 CA ASN A 27 -5.390 -11.498 3.551 1.00 0.00 C ATOM 439 C ASN A 27 -5.704 -11.128 2.101 1.00 0.00 C ATOM 440 O ASN A 27 -5.096 -11.683 1.184 1.00 0.00 O ATOM 441 CB ASN A 27 -6.516 -12.335 4.171 1.00 0.00 C ATOM 442 CG ASN A 27 -6.663 -13.744 3.582 1.00 0.00 C ATOM 443 OD1 ASN A 27 -6.107 -14.048 2.409 1.00 0.00 O flip ATOM 444 ND2 ASN A 27 -7.291 -14.591 4.207 1.00 0.00 N flip ATOM 0 H ASN A 27 -5.781 -10.149 5.123 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.488 -12.109 3.564 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.339 -12.420 5.243 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.459 -11.802 4.045 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.714 -14.353 5.104 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.390 -15.534 3.830 1.00 0.00 H new ATOM 451 N GLU A 28 -6.657 -10.216 1.895 1.00 0.00 N ATOM 452 CA GLU A 28 -7.027 -9.747 0.574 1.00 0.00 C ATOM 453 C GLU A 28 -5.835 -9.075 -0.110 1.00 0.00 C ATOM 454 O GLU A 28 -5.616 -9.312 -1.296 1.00 0.00 O ATOM 455 CB GLU A 28 -8.237 -8.812 0.685 1.00 0.00 C ATOM 456 CG GLU A 28 -9.490 -9.614 1.066 1.00 0.00 C ATOM 457 CD GLU A 28 -10.696 -8.729 1.369 1.00 0.00 C ATOM 458 OE1 GLU A 28 -10.820 -7.664 0.723 1.00 0.00 O ATOM 459 OE2 GLU A 28 -11.478 -9.134 2.257 1.00 0.00 O ATOM 0 H GLU A 28 -7.192 -9.785 2.649 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.313 -10.593 -0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.045 -8.044 1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.398 -8.299 -0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.741 -10.294 0.252 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.269 -10.229 1.938 1.00 0.00 H new ATOM 466 N VAL A 29 -5.062 -8.254 0.615 1.00 0.00 N ATOM 467 CA VAL A 29 -3.905 -7.587 0.028 1.00 0.00 C ATOM 468 C VAL A 29 -2.921 -8.637 -0.487 1.00 0.00 C ATOM 469 O VAL A 29 -2.599 -8.632 -1.670 1.00 0.00 O ATOM 470 CB VAL A 29 -3.284 -6.524 0.975 1.00 0.00 C ATOM 471 CG1 VAL A 29 -1.974 -6.916 1.677 1.00 0.00 C ATOM 472 CG2 VAL A 29 -2.960 -5.246 0.189 1.00 0.00 C ATOM 0 H VAL A 29 -5.220 -8.041 1.600 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.225 -7.000 -0.833 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.049 -6.401 1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.640 -6.094 2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.141 -7.801 2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.211 -7.132 0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.525 -4.506 0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.250 -5.477 -0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.875 -4.846 -0.248 1.00 0.00 H new ATOM 482 N ILE A 30 -2.473 -9.564 0.366 1.00 0.00 N ATOM 483 CA ILE A 30 -1.530 -10.592 -0.042 1.00 0.00 C ATOM 484 C ILE A 30 -2.097 -11.393 -1.210 1.00 0.00 C ATOM 485 O ILE A 30 -1.396 -11.590 -2.201 1.00 0.00 O ATOM 486 CB ILE A 30 -1.087 -11.454 1.159 1.00 0.00 C ATOM 487 CG1 ILE A 30 -0.370 -10.526 2.162 1.00 0.00 C ATOM 488 CG2 ILE A 30 -0.160 -12.589 0.692 1.00 0.00 C ATOM 489 CD1 ILE A 30 0.559 -11.219 3.160 1.00 0.00 C ATOM 0 H ILE A 30 -2.754 -9.617 1.345 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.616 -10.123 -0.407 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.949 -11.920 1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.211 -9.794 1.600 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.125 -9.973 2.720 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.143 -13.188 1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.689 -13.221 -0.022 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.724 -12.164 0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.009 -10.474 3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.013 -11.929 3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.344 -11.748 2.620 1.00 0.00 H new ATOM 501 N LYS A 31 -3.356 -11.830 -1.123 1.00 0.00 N ATOM 502 CA LYS A 31 -3.975 -12.594 -2.194 1.00 0.00 C ATOM 503 C LYS A 31 -3.927 -11.817 -3.517 1.00 0.00 C ATOM 504 O LYS A 31 -3.304 -12.266 -4.478 1.00 0.00 O ATOM 505 CB LYS A 31 -5.410 -12.959 -1.780 1.00 0.00 C ATOM 506 CG LYS A 31 -6.146 -13.844 -2.793 1.00 0.00 C ATOM 507 CD LYS A 31 -5.400 -15.163 -3.039 1.00 0.00 C ATOM 508 CE LYS A 31 -6.295 -16.198 -3.731 1.00 0.00 C ATOM 509 NZ LYS A 31 -6.799 -15.716 -5.028 1.00 0.00 N ATOM 0 H LYS A 31 -3.962 -11.665 -0.319 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.421 -13.518 -2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.380 -13.472 -0.819 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.979 -12.041 -1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.151 -14.056 -2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.255 -13.306 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.519 -14.974 -3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.046 -15.564 -2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.733 -17.120 -3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.137 -16.440 -3.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.831 -15.598 -4.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.357 -14.802 -5.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.565 -16.407 -5.770 1.00 0.00 H new ATOM 523 N GLU A 32 -4.549 -10.637 -3.559 1.00 0.00 N ATOM 524 CA GLU A 32 -4.642 -9.832 -4.767 1.00 0.00 C ATOM 525 C GLU A 32 -3.256 -9.484 -5.314 1.00 0.00 C ATOM 526 O GLU A 32 -2.985 -9.672 -6.503 1.00 0.00 O ATOM 527 CB GLU A 32 -5.486 -8.584 -4.473 1.00 0.00 C ATOM 528 CG GLU A 32 -5.841 -7.800 -5.744 1.00 0.00 C ATOM 529 CD GLU A 32 -6.663 -8.618 -6.738 1.00 0.00 C ATOM 530 OE1 GLU A 32 -7.665 -9.217 -6.291 1.00 0.00 O ATOM 531 OE2 GLU A 32 -6.274 -8.630 -7.925 1.00 0.00 O ATOM 0 H GLU A 32 -5.003 -10.215 -2.749 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.137 -10.406 -5.550 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.404 -8.882 -3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.940 -7.933 -3.789 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.399 -6.905 -5.469 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.923 -7.467 -6.227 1.00 0.00 H new ATOM 538 N LEU A 33 -2.375 -8.970 -4.452 1.00 0.00 N ATOM 539 CA LEU A 33 -1.025 -8.619 -4.854 1.00 0.00 C ATOM 540 C LEU A 33 -0.332 -9.852 -5.429 1.00 0.00 C ATOM 541 O LEU A 33 0.096 -9.797 -6.571 1.00 0.00 O ATOM 542 CB LEU A 33 -0.219 -8.030 -3.694 1.00 0.00 C ATOM 543 CG LEU A 33 -0.433 -6.551 -3.397 1.00 0.00 C ATOM 544 CD1 LEU A 33 -1.862 -5.992 -3.482 1.00 0.00 C ATOM 545 CD2 LEU A 33 0.193 -6.230 -2.039 1.00 0.00 C ATOM 0 H LEU A 33 -2.581 -8.790 -3.469 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.084 -7.846 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.455 -8.596 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.840 -8.186 -3.901 1.00 0.00 H new ATOM 0 HG LEU A 33 0.059 -6.037 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.851 -4.928 -3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.249 -6.134 -4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.501 -6.516 -2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.048 -5.174 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.282 -6.836 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.260 -6.452 -2.069 1.00 0.00 H new ATOM 557 N SER A 34 -0.246 -10.961 -4.685 1.00 0.00 N ATOM 558 CA SER A 34 0.440 -12.160 -5.165 1.00 0.00 C ATOM 559 C SER A 34 -0.101 -12.635 -6.518 1.00 0.00 C ATOM 560 O SER A 34 0.678 -13.022 -7.387 1.00 0.00 O ATOM 561 CB SER A 34 0.407 -13.279 -4.119 1.00 0.00 C ATOM 562 OG SER A 34 -0.917 -13.682 -3.837 1.00 0.00 O ATOM 0 H SER A 34 -0.643 -11.050 -3.750 1.00 0.00 H new ATOM 0 HA SER A 34 1.483 -11.887 -5.323 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.980 -14.133 -4.480 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.888 -12.937 -3.203 1.00 0.00 H new ATOM 0 HG SER A 34 -1.292 -13.106 -3.138 1.00 0.00 H new ATOM 568 N LYS A 35 -1.426 -12.608 -6.704 1.00 0.00 N ATOM 569 CA LYS A 35 -2.032 -13.023 -7.963 1.00 0.00 C ATOM 570 C LYS A 35 -1.605 -12.105 -9.109 1.00 0.00 C ATOM 571 O LYS A 35 -1.240 -12.588 -10.178 1.00 0.00 O ATOM 572 CB LYS A 35 -3.562 -13.027 -7.840 1.00 0.00 C ATOM 573 CG LYS A 35 -4.106 -14.195 -7.004 1.00 0.00 C ATOM 574 CD LYS A 35 -3.821 -15.596 -7.571 1.00 0.00 C ATOM 575 CE LYS A 35 -4.277 -15.752 -9.026 1.00 0.00 C ATOM 576 NZ LYS A 35 -4.145 -17.147 -9.481 1.00 0.00 N ATOM 0 H LYS A 35 -2.094 -12.303 -5.996 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.687 -14.033 -8.186 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.885 -12.088 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.999 -13.070 -8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.681 -14.133 -6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.184 -14.075 -6.900 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.752 -15.799 -7.506 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.324 -16.341 -6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.315 -15.433 -9.120 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.684 -15.100 -9.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.461 -17.221 -10.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.150 -17.442 -9.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.731 -17.764 -8.883 1.00 0.00 H new ATOM 590 N THR A 36 -1.684 -10.789 -8.906 1.00 0.00 N ATOM 591 CA THR A 36 -1.338 -9.828 -9.945 1.00 0.00 C ATOM 592 C THR A 36 0.181 -9.764 -10.139 1.00 0.00 C ATOM 593 O THR A 36 0.698 -10.065 -11.213 1.00 0.00 O ATOM 594 CB THR A 36 -1.944 -8.461 -9.595 1.00 0.00 C ATOM 595 OG1 THR A 36 -1.567 -8.061 -8.292 1.00 0.00 O ATOM 596 CG2 THR A 36 -3.474 -8.522 -9.669 1.00 0.00 C ATOM 0 H THR A 36 -1.986 -10.367 -8.028 1.00 0.00 H new ATOM 0 HA THR A 36 -1.758 -10.147 -10.899 1.00 0.00 H new ATOM 0 HB THR A 36 -1.567 -7.737 -10.317 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.146 -8.500 -7.635 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.890 -7.546 -9.418 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.779 -8.798 -10.679 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.843 -9.266 -8.963 1.00 0.00 H new ATOM 604 N SER A 37 0.886 -9.351 -9.090 1.00 0.00 N ATOM 605 CA SER A 37 2.330 -9.220 -9.022 1.00 0.00 C ATOM 606 C SER A 37 2.893 -10.408 -8.237 1.00 0.00 C ATOM 607 O SER A 37 2.781 -10.459 -7.013 1.00 0.00 O ATOM 608 CB SER A 37 2.654 -7.893 -8.332 1.00 0.00 C ATOM 609 OG SER A 37 1.968 -6.831 -8.967 1.00 0.00 O ATOM 0 H SER A 37 0.434 -9.084 -8.215 1.00 0.00 H new ATOM 0 HA SER A 37 2.780 -9.221 -10.015 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.369 -7.942 -7.281 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.728 -7.712 -8.363 1.00 0.00 H new ATOM 0 HG SER A 37 2.598 -6.107 -9.166 1.00 0.00 H new ATOM 615 N THR A 38 3.538 -11.349 -8.928 1.00 0.00 N ATOM 616 CA THR A 38 4.069 -12.572 -8.346 1.00 0.00 C ATOM 617 C THR A 38 5.200 -12.294 -7.349 1.00 0.00 C ATOM 618 O THR A 38 6.375 -12.402 -7.702 1.00 0.00 O ATOM 619 CB THR A 38 4.536 -13.480 -9.491 1.00 0.00 C ATOM 620 OG1 THR A 38 5.430 -12.751 -10.306 1.00 0.00 O ATOM 621 CG2 THR A 38 3.356 -13.954 -10.347 1.00 0.00 C ATOM 0 H THR A 38 3.707 -11.276 -9.931 1.00 0.00 H new ATOM 0 HA THR A 38 3.286 -13.069 -7.773 1.00 0.00 H new ATOM 0 HB THR A 38 5.021 -14.358 -9.063 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.135 -12.359 -9.749 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.722 -14.595 -11.149 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.657 -14.514 -9.725 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.848 -13.091 -10.776 1.00 0.00 H new ATOM 629 N TRP A 39 4.836 -11.944 -6.115 1.00 0.00 N ATOM 630 CA TRP A 39 5.721 -11.658 -4.998 1.00 0.00 C ATOM 631 C TRP A 39 5.317 -12.525 -3.802 1.00 0.00 C ATOM 632 O TRP A 39 4.150 -12.896 -3.672 1.00 0.00 O ATOM 633 CB TRP A 39 5.582 -10.178 -4.643 1.00 0.00 C ATOM 634 CG TRP A 39 5.970 -9.178 -5.687 1.00 0.00 C ATOM 635 CD1 TRP A 39 6.978 -9.296 -6.581 1.00 0.00 C ATOM 636 CD2 TRP A 39 5.376 -7.872 -5.931 1.00 0.00 C ATOM 637 NE1 TRP A 39 7.057 -8.154 -7.353 1.00 0.00 N ATOM 638 CE2 TRP A 39 6.097 -7.235 -6.983 1.00 0.00 C ATOM 639 CE3 TRP A 39 4.297 -7.160 -5.365 1.00 0.00 C ATOM 640 CZ2 TRP A 39 5.775 -5.947 -7.438 1.00 0.00 C ATOM 641 CZ3 TRP A 39 3.954 -5.878 -5.827 1.00 0.00 C ATOM 642 CH2 TRP A 39 4.708 -5.260 -6.839 1.00 0.00 C ATOM 0 H TRP A 39 3.853 -11.848 -5.859 1.00 0.00 H new ATOM 0 HA TRP A 39 6.756 -11.879 -5.261 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.543 -9.994 -4.370 1.00 0.00 H new ATOM 0 HB3 TRP A 39 6.184 -9.987 -3.754 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.625 -10.156 -6.677 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.737 -8.009 -8.100 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.726 -7.607 -4.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 6.340 -5.491 -8.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.105 -5.364 -5.401 1.00 0.00 H new ATOM 0 HH2 TRP A 39 4.466 -4.256 -7.156 1.00 0.00 H new ATOM 653 N SER A 40 6.275 -12.855 -2.928 1.00 0.00 N ATOM 654 CA SER A 40 5.992 -13.668 -1.750 1.00 0.00 C ATOM 655 C SER A 40 5.233 -12.841 -0.705 1.00 0.00 C ATOM 656 O SER A 40 5.279 -11.610 -0.759 1.00 0.00 O ATOM 657 CB SER A 40 7.301 -14.210 -1.154 1.00 0.00 C ATOM 658 OG SER A 40 7.976 -13.216 -0.402 1.00 0.00 O ATOM 0 H SER A 40 7.250 -12.570 -3.018 1.00 0.00 H new ATOM 0 HA SER A 40 5.368 -14.511 -2.047 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.085 -15.067 -0.516 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.949 -14.565 -1.956 1.00 0.00 H new ATOM 0 HG SER A 40 8.415 -12.586 -1.011 1.00 0.00 H new ATOM 664 N PRO A 41 4.573 -13.478 0.278 1.00 0.00 N ATOM 665 CA PRO A 41 3.918 -12.764 1.362 1.00 0.00 C ATOM 666 C PRO A 41 4.886 -11.811 2.069 1.00 0.00 C ATOM 667 O PRO A 41 4.506 -10.695 2.402 1.00 0.00 O ATOM 668 CB PRO A 41 3.371 -13.842 2.304 1.00 0.00 C ATOM 669 CG PRO A 41 3.142 -15.022 1.362 1.00 0.00 C ATOM 670 CD PRO A 41 4.311 -14.905 0.385 1.00 0.00 C ATOM 0 HA PRO A 41 3.112 -12.129 0.995 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.080 -14.087 3.095 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.448 -13.526 2.789 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.153 -15.973 1.894 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.181 -14.953 0.853 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.187 -15.440 0.752 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.059 -15.333 -0.585 1.00 0.00 H new ATOM 678 N LYS A 42 6.139 -12.230 2.280 1.00 0.00 N ATOM 679 CA LYS A 42 7.156 -11.401 2.917 1.00 0.00 C ATOM 680 C LYS A 42 7.468 -10.188 2.036 1.00 0.00 C ATOM 681 O LYS A 42 7.453 -9.044 2.499 1.00 0.00 O ATOM 682 CB LYS A 42 8.420 -12.231 3.173 1.00 0.00 C ATOM 683 CG LYS A 42 8.133 -13.420 4.100 1.00 0.00 C ATOM 684 CD LYS A 42 9.419 -14.155 4.510 1.00 0.00 C ATOM 685 CE LYS A 42 10.262 -14.644 3.324 1.00 0.00 C ATOM 686 NZ LYS A 42 9.475 -15.451 2.375 1.00 0.00 N ATOM 0 H LYS A 42 6.472 -13.156 2.012 1.00 0.00 H new ATOM 0 HA LYS A 42 6.781 -11.041 3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.816 -12.595 2.225 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.188 -11.598 3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.617 -13.067 4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.462 -14.117 3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.026 -13.490 5.124 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.154 -15.010 5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.686 -13.785 2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.098 -15.236 3.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.108 -15.857 1.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.995 -16.218 2.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.766 -14.848 1.911 1.00 0.00 H new ATOM 700 N THR A 43 7.753 -10.441 0.754 1.00 0.00 N ATOM 701 CA THR A 43 8.016 -9.392 -0.221 1.00 0.00 C ATOM 702 C THR A 43 6.874 -8.371 -0.188 1.00 0.00 C ATOM 703 O THR A 43 7.111 -7.166 -0.162 1.00 0.00 O ATOM 704 CB THR A 43 8.165 -10.027 -1.610 1.00 0.00 C ATOM 705 OG1 THR A 43 9.122 -11.066 -1.570 1.00 0.00 O ATOM 706 CG2 THR A 43 8.577 -9.019 -2.686 1.00 0.00 C ATOM 0 H THR A 43 7.806 -11.384 0.368 1.00 0.00 H new ATOM 0 HA THR A 43 8.942 -8.869 0.018 1.00 0.00 H new ATOM 0 HB THR A 43 7.183 -10.417 -1.877 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.208 -11.466 -2.461 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.666 -9.528 -3.646 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.822 -8.236 -2.759 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.536 -8.575 -2.420 1.00 0.00 H new ATOM 714 N ILE A 44 5.634 -8.862 -0.167 1.00 0.00 N ATOM 715 CA ILE A 44 4.451 -8.025 -0.099 1.00 0.00 C ATOM 716 C ILE A 44 4.449 -7.222 1.203 1.00 0.00 C ATOM 717 O ILE A 44 4.428 -5.996 1.153 1.00 0.00 O ATOM 718 CB ILE A 44 3.194 -8.889 -0.296 1.00 0.00 C ATOM 719 CG1 ILE A 44 3.110 -9.272 -1.784 1.00 0.00 C ATOM 720 CG2 ILE A 44 1.948 -8.125 0.168 1.00 0.00 C ATOM 721 CD1 ILE A 44 2.182 -10.457 -2.061 1.00 0.00 C ATOM 0 H ILE A 44 5.428 -9.861 -0.197 1.00 0.00 H new ATOM 0 HA ILE A 44 4.455 -7.292 -0.906 1.00 0.00 H new ATOM 0 HB ILE A 44 3.250 -9.797 0.304 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.764 -8.409 -2.353 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.110 -9.512 -2.146 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.065 -8.747 0.023 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.047 -7.875 1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.845 -7.209 -0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.173 -10.670 -3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.539 -11.333 -1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.172 -10.213 -1.731 1.00 0.00 H new ATOM 733 N GLN A 45 4.482 -7.892 2.360 1.00 0.00 N ATOM 734 CA GLN A 45 4.483 -7.271 3.684 1.00 0.00 C ATOM 735 C GLN A 45 5.477 -6.110 3.751 1.00 0.00 C ATOM 736 O GLN A 45 5.161 -5.051 4.294 1.00 0.00 O ATOM 737 CB GLN A 45 4.812 -8.330 4.744 1.00 0.00 C ATOM 738 CG GLN A 45 3.635 -9.291 4.970 1.00 0.00 C ATOM 739 CD GLN A 45 4.079 -10.622 5.578 1.00 0.00 C ATOM 740 OE1 GLN A 45 5.175 -10.746 6.113 1.00 0.00 O ATOM 741 NE2 GLN A 45 3.228 -11.642 5.507 1.00 0.00 N ATOM 0 H GLN A 45 4.510 -8.911 2.399 1.00 0.00 H new ATOM 0 HA GLN A 45 3.492 -6.862 3.880 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.690 -8.896 4.433 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.066 -7.838 5.683 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.905 -8.819 5.628 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.134 -9.477 4.020 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.321 -11.519 5.058 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.483 -12.547 5.902 1.00 0.00 H new ATOM 750 N THR A 46 6.669 -6.305 3.181 1.00 0.00 N ATOM 751 CA THR A 46 7.696 -5.274 3.128 1.00 0.00 C ATOM 752 C THR A 46 7.144 -3.966 2.534 1.00 0.00 C ATOM 753 O THR A 46 7.473 -2.885 3.017 1.00 0.00 O ATOM 754 CB THR A 46 8.919 -5.790 2.352 1.00 0.00 C ATOM 755 OG1 THR A 46 9.342 -7.035 2.877 1.00 0.00 O ATOM 756 CG2 THR A 46 10.100 -4.822 2.457 1.00 0.00 C ATOM 0 H THR A 46 6.945 -7.185 2.744 1.00 0.00 H new ATOM 0 HA THR A 46 8.015 -5.044 4.144 1.00 0.00 H new ATOM 0 HB THR A 46 8.615 -5.888 1.310 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.726 -7.739 2.586 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.947 -5.219 1.897 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.815 -3.854 2.046 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.381 -4.703 3.503 1.00 0.00 H new ATOM 764 N MET A 47 6.300 -4.044 1.499 1.00 0.00 N ATOM 765 CA MET A 47 5.717 -2.868 0.867 1.00 0.00 C ATOM 766 C MET A 47 4.784 -2.144 1.838 1.00 0.00 C ATOM 767 O MET A 47 4.935 -0.937 2.029 1.00 0.00 O ATOM 768 CB MET A 47 5.020 -3.227 -0.452 1.00 0.00 C ATOM 769 CG MET A 47 6.010 -3.901 -1.408 1.00 0.00 C ATOM 770 SD MET A 47 5.402 -4.203 -3.083 1.00 0.00 S ATOM 771 CE MET A 47 6.809 -5.156 -3.693 1.00 0.00 C ATOM 0 H MET A 47 6.006 -4.926 1.080 1.00 0.00 H new ATOM 0 HA MET A 47 6.523 -2.179 0.613 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.180 -3.894 -0.258 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.613 -2.327 -0.913 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.904 -3.281 -1.472 1.00 0.00 H new ATOM 0 HG3 MET A 47 6.314 -4.854 -0.974 1.00 0.00 H new ATOM 0 HE1 MET A 47 6.744 -5.248 -4.777 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.736 -4.648 -3.427 1.00 0.00 H new ATOM 0 HE3 MET A 47 6.798 -6.149 -3.244 1.00 0.00 H new ATOM 781 N LEU A 48 3.828 -2.849 2.465 1.00 0.00 N ATOM 782 CA LEU A 48 2.959 -2.245 3.444 1.00 0.00 C ATOM 783 C LEU A 48 3.798 -1.571 4.528 1.00 0.00 C ATOM 784 O LEU A 48 3.592 -0.400 4.832 1.00 0.00 O ATOM 785 CB LEU A 48 2.116 -3.361 4.043 1.00 0.00 C ATOM 786 CG LEU A 48 1.112 -3.995 3.073 1.00 0.00 C ATOM 787 CD1 LEU A 48 -0.002 -3.024 2.682 1.00 0.00 C ATOM 788 CD2 LEU A 48 1.607 -4.746 1.838 1.00 0.00 C ATOM 0 H LEU A 48 3.650 -3.840 2.299 1.00 0.00 H new ATOM 0 HA LEU A 48 2.321 -1.486 2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.781 -4.140 4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.572 -2.967 4.901 1.00 0.00 H new ATOM 0 HG LEU A 48 0.747 -4.807 3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.689 -3.517 1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.544 -2.713 3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.431 -2.149 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.753 -5.123 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.187 -4.070 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.235 -5.582 2.148 1.00 0.00 H new ATOM 800 N LEU A 49 4.754 -2.314 5.093 1.00 0.00 N ATOM 801 CA LEU A 49 5.667 -1.815 6.113 1.00 0.00 C ATOM 802 C LEU A 49 6.318 -0.507 5.651 1.00 0.00 C ATOM 803 O LEU A 49 6.254 0.498 6.359 1.00 0.00 O ATOM 804 CB LEU A 49 6.681 -2.918 6.454 1.00 0.00 C ATOM 805 CG LEU A 49 7.665 -2.549 7.578 1.00 0.00 C ATOM 806 CD1 LEU A 49 8.079 -3.821 8.326 1.00 0.00 C ATOM 807 CD2 LEU A 49 8.933 -1.881 7.030 1.00 0.00 C ATOM 0 H LEU A 49 4.914 -3.291 4.848 1.00 0.00 H new ATOM 0 HA LEU A 49 5.129 -1.572 7.029 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.138 -3.818 6.744 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.249 -3.163 5.556 1.00 0.00 H new ATOM 0 HG LEU A 49 7.159 -1.847 8.241 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.776 -3.564 9.123 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.196 -4.294 8.755 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.560 -4.511 7.632 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.601 -1.636 7.856 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.437 -2.563 6.345 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.663 -0.968 6.499 1.00 0.00 H new ATOM 819 N ARG A 50 6.933 -0.512 4.464 1.00 0.00 N ATOM 820 CA ARG A 50 7.586 0.661 3.906 1.00 0.00 C ATOM 821 C ARG A 50 6.622 1.839 3.834 1.00 0.00 C ATOM 822 O ARG A 50 6.920 2.911 4.356 1.00 0.00 O ATOM 823 CB ARG A 50 8.151 0.337 2.516 1.00 0.00 C ATOM 824 CG ARG A 50 9.410 -0.527 2.598 1.00 0.00 C ATOM 825 CD ARG A 50 10.672 0.342 2.509 1.00 0.00 C ATOM 826 NE ARG A 50 10.725 1.383 3.546 1.00 0.00 N ATOM 827 CZ ARG A 50 11.103 1.199 4.819 1.00 0.00 C ATOM 828 NH1 ARG A 50 11.437 -0.019 5.259 1.00 0.00 N ATOM 829 NH2 ARG A 50 11.138 2.247 5.648 1.00 0.00 N ATOM 0 H ARG A 50 6.988 -1.337 3.866 1.00 0.00 H new ATOM 0 HA ARG A 50 8.409 0.943 4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.393 -0.181 1.928 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.381 1.265 1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.413 -1.086 3.534 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.408 -1.258 1.790 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.552 -0.295 2.596 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.714 0.812 1.527 1.00 0.00 H new ATOM 0 HE ARG A 50 10.450 2.327 3.273 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.405 -0.817 4.624 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.723 -0.150 6.229 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.879 3.174 5.310 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.424 2.120 6.619 1.00 0.00 H new ATOM 843 N LEU A 51 5.466 1.654 3.195 1.00 0.00 N ATOM 844 CA LEU A 51 4.471 2.680 3.049 1.00 0.00 C ATOM 845 C LEU A 51 4.062 3.227 4.422 1.00 0.00 C ATOM 846 O LEU A 51 4.066 4.440 4.616 1.00 0.00 O ATOM 847 CB LEU A 51 3.327 2.040 2.263 1.00 0.00 C ATOM 848 CG LEU A 51 3.613 1.888 0.760 1.00 0.00 C ATOM 849 CD1 LEU A 51 2.561 0.967 0.133 1.00 0.00 C ATOM 850 CD2 LEU A 51 3.566 3.253 0.059 1.00 0.00 C ATOM 0 H LEU A 51 5.205 0.768 2.763 1.00 0.00 H new ATOM 0 HA LEU A 51 4.834 3.553 2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.115 1.057 2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.428 2.643 2.393 1.00 0.00 H new ATOM 0 HG LEU A 51 4.608 1.461 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.762 0.858 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.602 -0.011 0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.570 1.398 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.771 3.124 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.577 3.694 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.316 3.912 0.496 1.00 0.00 H new ATOM 862 N ILE A 52 3.738 2.360 5.385 1.00 0.00 N ATOM 863 CA ILE A 52 3.383 2.782 6.736 1.00 0.00 C ATOM 864 C ILE A 52 4.503 3.656 7.312 1.00 0.00 C ATOM 865 O ILE A 52 4.237 4.767 7.765 1.00 0.00 O ATOM 866 CB ILE A 52 3.068 1.559 7.619 1.00 0.00 C ATOM 867 CG1 ILE A 52 1.775 0.886 7.127 1.00 0.00 C ATOM 868 CG2 ILE A 52 2.905 1.970 9.092 1.00 0.00 C ATOM 869 CD1 ILE A 52 1.605 -0.530 7.685 1.00 0.00 C ATOM 0 H ILE A 52 3.715 1.350 5.247 1.00 0.00 H new ATOM 0 HA ILE A 52 2.476 3.386 6.709 1.00 0.00 H new ATOM 0 HB ILE A 52 3.901 0.859 7.546 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.919 1.494 7.419 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.781 0.846 6.038 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.683 1.088 9.693 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.828 2.428 9.446 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.088 2.685 9.182 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.678 -0.961 7.308 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.446 -1.148 7.371 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.570 -0.490 8.774 1.00 0.00 H new ATOM 881 N LYS A 53 5.755 3.184 7.277 1.00 0.00 N ATOM 882 CA LYS A 53 6.880 3.969 7.780 1.00 0.00 C ATOM 883 C LYS A 53 6.987 5.313 7.048 1.00 0.00 C ATOM 884 O LYS A 53 7.304 6.325 7.666 1.00 0.00 O ATOM 885 CB LYS A 53 8.186 3.168 7.707 1.00 0.00 C ATOM 886 CG LYS A 53 8.167 2.017 8.724 1.00 0.00 C ATOM 887 CD LYS A 53 9.481 1.226 8.745 1.00 0.00 C ATOM 888 CE LYS A 53 10.632 2.025 9.369 1.00 0.00 C ATOM 889 NZ LYS A 53 11.845 1.200 9.510 1.00 0.00 N ATOM 0 H LYS A 53 6.010 2.268 6.908 1.00 0.00 H new ATOM 0 HA LYS A 53 6.697 4.191 8.831 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.320 2.770 6.701 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.034 3.824 7.906 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.973 2.419 9.718 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.345 1.342 8.488 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.337 0.302 9.305 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.748 0.943 7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.851 2.894 8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.329 2.399 10.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.605 1.769 9.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.641 0.384 10.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.147 0.864 8.573 1.00 0.00 H new ATOM 903 N LYS A 54 6.694 5.339 5.745 1.00 0.00 N ATOM 904 CA LYS A 54 6.692 6.558 4.943 1.00 0.00 C ATOM 905 C LYS A 54 5.413 7.391 5.166 1.00 0.00 C ATOM 906 O LYS A 54 5.177 8.349 4.433 1.00 0.00 O ATOM 907 CB LYS A 54 6.889 6.195 3.460 1.00 0.00 C ATOM 908 CG LYS A 54 8.275 5.580 3.204 1.00 0.00 C ATOM 909 CD LYS A 54 8.384 4.804 1.880 1.00 0.00 C ATOM 910 CE LYS A 54 8.305 5.673 0.618 1.00 0.00 C ATOM 911 NZ LYS A 54 6.920 6.025 0.262 1.00 0.00 N ATOM 0 H LYS A 54 6.449 4.503 5.215 1.00 0.00 H new ATOM 0 HA LYS A 54 7.522 7.188 5.262 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.116 5.491 3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.769 7.089 2.848 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.020 6.376 3.209 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.520 4.909 4.027 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.328 4.259 1.871 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.587 4.061 1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.880 6.586 0.773 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.767 5.142 -0.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.833 6.091 -0.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.273 5.292 0.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.674 6.941 0.689 1.00 0.00 H new ATOM 925 N GLY A 55 4.576 7.049 6.154 1.00 0.00 N ATOM 926 CA GLY A 55 3.359 7.781 6.483 1.00 0.00 C ATOM 927 C GLY A 55 2.285 7.680 5.399 1.00 0.00 C ATOM 928 O GLY A 55 1.363 8.492 5.368 1.00 0.00 O ATOM 0 H GLY A 55 4.734 6.240 6.755 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.956 7.400 7.422 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.606 8.830 6.644 1.00 0.00 H new ATOM 932 N ALA A 56 2.354 6.656 4.549 1.00 0.00 N ATOM 933 CA ALA A 56 1.435 6.452 3.439 1.00 0.00 C ATOM 934 C ALA A 56 0.099 5.840 3.868 1.00 0.00 C ATOM 935 O ALA A 56 -0.927 6.066 3.230 1.00 0.00 O ATOM 936 CB ALA A 56 2.090 5.467 2.469 1.00 0.00 C ATOM 0 H ALA A 56 3.068 5.931 4.618 1.00 0.00 H new ATOM 0 HA ALA A 56 1.233 7.428 2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.425 5.292 1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.032 5.882 2.110 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.281 4.524 2.981 1.00 0.00 H new ATOM 942 N LEU A 57 0.124 5.026 4.922 1.00 0.00 N ATOM 943 CA LEU A 57 -0.975 4.187 5.376 1.00 0.00 C ATOM 944 C LEU A 57 -1.079 4.244 6.900 1.00 0.00 C ATOM 945 O LEU A 57 -0.105 4.567 7.581 1.00 0.00 O ATOM 946 CB LEU A 57 -0.650 2.731 4.986 1.00 0.00 C ATOM 947 CG LEU A 57 -1.213 2.200 3.658 1.00 0.00 C ATOM 948 CD1 LEU A 57 -0.911 3.050 2.420 1.00 0.00 C ATOM 949 CD2 LEU A 57 -0.601 0.812 3.430 1.00 0.00 C ATOM 0 H LEU A 57 0.953 4.932 5.509 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.907 4.530 4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.435 2.627 4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.010 2.082 5.785 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.298 2.205 3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.355 2.583 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.331 4.047 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.168 3.126 2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.976 0.398 2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.485 0.897 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.876 0.153 4.254 1.00 0.00 H new ATOM 961 N ASN A 58 -2.264 3.914 7.412 1.00 0.00 N ATOM 962 CA ASN A 58 -2.593 3.753 8.814 1.00 0.00 C ATOM 963 C ASN A 58 -3.148 2.335 8.994 1.00 0.00 C ATOM 964 O ASN A 58 -3.681 1.756 8.047 1.00 0.00 O ATOM 965 CB ASN A 58 -3.604 4.825 9.229 1.00 0.00 C ATOM 966 CG ASN A 58 -4.254 4.437 10.551 1.00 0.00 C ATOM 967 OD1 ASN A 58 -3.655 4.608 11.608 1.00 0.00 O ATOM 968 ND2 ASN A 58 -5.415 3.794 10.490 1.00 0.00 N ATOM 0 H ASN A 58 -3.070 3.742 6.811 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.718 3.878 9.451 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.106 5.789 9.328 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.366 4.937 8.458 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.838 3.423 11.341 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.884 3.671 9.592 1.00 0.00 H new ATOM 975 N HIS A 59 -3.008 1.774 10.198 1.00 0.00 N ATOM 976 CA HIS A 59 -3.436 0.422 10.534 1.00 0.00 C ATOM 977 C HIS A 59 -4.814 0.423 11.207 1.00 0.00 C ATOM 978 O HIS A 59 -5.202 1.391 11.863 1.00 0.00 O ATOM 979 CB HIS A 59 -2.390 -0.172 11.479 1.00 0.00 C ATOM 980 CG HIS A 59 -2.493 -1.653 11.724 1.00 0.00 C ATOM 981 ND1 HIS A 59 -3.279 -2.164 12.755 1.00 0.00 N ATOM 982 CD2 HIS A 59 -1.807 -2.683 11.135 1.00 0.00 C ATOM 983 CE1 HIS A 59 -3.011 -3.472 12.774 1.00 0.00 C ATOM 984 NE2 HIS A 59 -2.122 -3.830 11.834 1.00 0.00 N ATOM 0 H HIS A 59 -2.582 2.265 10.984 1.00 0.00 H new ATOM 0 HA HIS A 59 -3.523 -0.173 9.625 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.400 0.042 11.076 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.461 0.341 12.438 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -1.145 -2.610 10.285 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.460 -4.166 13.469 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -1.752 -4.766 11.669 1.00 0.00 H new ATOM 992 N HIS A 60 -5.548 -0.675 11.030 1.00 0.00 N ATOM 993 CA HIS A 60 -6.852 -0.956 11.612 1.00 0.00 C ATOM 994 C HIS A 60 -6.933 -2.465 11.861 1.00 0.00 C ATOM 995 O HIS A 60 -6.319 -3.229 11.122 1.00 0.00 O ATOM 996 CB HIS A 60 -7.982 -0.471 10.696 1.00 0.00 C ATOM 997 CG HIS A 60 -9.340 -0.946 11.152 1.00 0.00 C ATOM 998 ND1 HIS A 60 -9.681 -0.976 12.506 1.00 0.00 N ATOM 999 CD2 HIS A 60 -10.374 -1.476 10.425 1.00 0.00 C ATOM 1000 CE1 HIS A 60 -10.901 -1.519 12.542 1.00 0.00 C ATOM 1001 NE2 HIS A 60 -11.359 -1.838 11.321 1.00 0.00 N ATOM 0 H HIS A 60 -5.223 -1.439 10.437 1.00 0.00 H new ATOM 0 HA HIS A 60 -6.972 -0.419 12.553 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.975 0.618 10.661 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -7.799 -0.824 9.681 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.411 -1.589 9.352 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.458 -1.683 13.453 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -12.259 -2.264 11.099 1.00 0.00 H new ATOM 1009 N LYS A 61 -7.627 -2.902 12.915 1.00 0.00 N ATOM 1010 CA LYS A 61 -7.813 -4.311 13.243 1.00 0.00 C ATOM 1011 C LYS A 61 -9.233 -4.731 12.847 1.00 0.00 C ATOM 1012 O LYS A 61 -10.186 -4.484 13.586 1.00 0.00 O ATOM 1013 CB LYS A 61 -7.530 -4.522 14.738 1.00 0.00 C ATOM 1014 CG LYS A 61 -7.615 -5.988 15.193 1.00 0.00 C ATOM 1015 CD LYS A 61 -6.640 -6.905 14.439 1.00 0.00 C ATOM 1016 CE LYS A 61 -6.474 -8.229 15.194 1.00 0.00 C ATOM 1017 NZ LYS A 61 -5.579 -9.157 14.480 1.00 0.00 N ATOM 0 H LYS A 61 -8.083 -2.271 13.575 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.117 -4.939 12.688 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.535 -4.139 14.966 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.239 -3.931 15.318 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.406 -6.044 16.261 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.633 -6.350 15.047 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.012 -7.095 13.432 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.673 -6.413 14.334 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.075 -8.033 16.189 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.450 -8.696 15.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.078 -9.755 15.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.139 -9.758 13.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.887 -8.614 13.925 1.00 0.00 H new ATOM 1031 N GLU A 62 -9.396 -5.393 11.697 1.00 0.00 N ATOM 1032 CA GLU A 62 -10.705 -5.850 11.249 1.00 0.00 C ATOM 1033 C GLU A 62 -10.959 -7.219 11.881 1.00 0.00 C ATOM 1034 O GLU A 62 -10.874 -8.265 11.234 1.00 0.00 O ATOM 1035 CB GLU A 62 -10.735 -5.867 9.713 1.00 0.00 C ATOM 1036 CG GLU A 62 -12.075 -6.281 9.099 1.00 0.00 C ATOM 1037 CD GLU A 62 -12.047 -6.181 7.574 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -11.511 -7.118 6.939 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -12.551 -5.156 7.067 1.00 0.00 O ATOM 0 H GLU A 62 -8.632 -5.622 11.061 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.508 -5.183 11.563 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.476 -4.873 9.348 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.963 -6.548 9.357 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.311 -7.304 9.393 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.868 -5.645 9.492 1.00 0.00 H new ATOM 1046 N GLY A 63 -11.319 -7.176 13.167 1.00 0.00 N ATOM 1047 CA GLY A 63 -11.659 -8.329 13.988 1.00 0.00 C ATOM 1048 C GLY A 63 -10.513 -9.333 14.118 1.00 0.00 C ATOM 1049 O GLY A 63 -9.871 -9.413 15.162 1.00 0.00 O ATOM 0 H GLY A 63 -11.382 -6.297 13.681 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.949 -7.987 14.982 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.526 -8.830 13.558 1.00 0.00 H new ATOM 1053 N ARG A 64 -10.281 -10.112 13.061 1.00 0.00 N ATOM 1054 CA ARG A 64 -9.270 -11.156 12.993 1.00 0.00 C ATOM 1055 C ARG A 64 -8.045 -10.697 12.205 1.00 0.00 C ATOM 1056 O ARG A 64 -6.915 -10.900 12.643 1.00 0.00 O ATOM 1057 CB ARG A 64 -9.863 -12.403 12.343 1.00 0.00 C ATOM 1058 CG ARG A 64 -11.058 -12.935 13.140 1.00 0.00 C ATOM 1059 CD ARG A 64 -11.433 -14.339 12.662 1.00 0.00 C ATOM 1060 NE ARG A 64 -11.900 -14.335 11.265 1.00 0.00 N ATOM 1061 CZ ARG A 64 -11.179 -14.640 10.174 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -9.887 -14.973 10.264 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -11.769 -14.603 8.975 1.00 0.00 N ATOM 0 H ARG A 64 -10.816 -10.026 12.197 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.950 -11.384 14.010 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.177 -12.170 11.326 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.098 -13.176 12.271 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.814 -12.958 14.202 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.909 -12.264 13.023 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.569 -14.997 12.755 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.214 -14.745 13.305 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.874 -14.073 11.110 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.429 -14.999 11.175 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.359 -15.201 9.421 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.753 -14.346 8.899 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.235 -14.832 8.137 1.00 0.00 H new ATOM 1077 N VAL A 65 -8.265 -10.098 11.033 1.00 0.00 N ATOM 1078 CA VAL A 65 -7.205 -9.660 10.137 1.00 0.00 C ATOM 1079 C VAL A 65 -7.079 -8.146 10.247 1.00 0.00 C ATOM 1080 O VAL A 65 -8.040 -7.474 10.607 1.00 0.00 O ATOM 1081 CB VAL A 65 -7.514 -10.112 8.697 1.00 0.00 C ATOM 1082 CG1 VAL A 65 -7.363 -11.634 8.575 1.00 0.00 C ATOM 1083 CG2 VAL A 65 -8.924 -9.713 8.233 1.00 0.00 C ATOM 0 H VAL A 65 -9.201 -9.903 10.679 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.252 -10.110 10.415 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.796 -9.602 8.055 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.584 -11.941 7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.342 -11.920 8.827 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.056 -12.124 9.259 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.082 -10.059 7.212 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.666 -10.168 8.889 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.025 -8.628 8.269 1.00 0.00 H new ATOM 1093 N PHE A 66 -5.898 -7.590 9.974 1.00 0.00 N ATOM 1094 CA PHE A 66 -5.709 -6.150 10.031 1.00 0.00 C ATOM 1095 C PHE A 66 -5.809 -5.540 8.637 1.00 0.00 C ATOM 1096 O PHE A 66 -5.408 -6.155 7.646 1.00 0.00 O ATOM 1097 CB PHE A 66 -4.429 -5.770 10.768 1.00 0.00 C ATOM 1098 CG PHE A 66 -3.200 -6.606 10.472 1.00 0.00 C ATOM 1099 CD1 PHE A 66 -2.990 -7.802 11.186 1.00 0.00 C ATOM 1100 CD2 PHE A 66 -2.192 -6.115 9.622 1.00 0.00 C ATOM 1101 CE1 PHE A 66 -1.784 -8.509 11.043 1.00 0.00 C ATOM 1102 CE2 PHE A 66 -0.965 -6.796 9.523 1.00 0.00 C ATOM 1103 CZ PHE A 66 -0.767 -8.000 10.219 1.00 0.00 C ATOM 0 H PHE A 66 -5.065 -8.117 9.713 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.518 -5.721 10.622 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.198 -4.731 10.535 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.625 -5.820 11.839 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.759 -8.177 11.846 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.360 -5.217 9.046 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.639 -9.443 11.566 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.173 -6.392 8.910 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.167 -8.534 10.121 1.00 0.00 H new ATOM 1113 N VAL A 67 -6.384 -4.336 8.606 1.00 0.00 N ATOM 1114 CA VAL A 67 -6.697 -3.511 7.459 1.00 0.00 C ATOM 1115 C VAL A 67 -5.764 -2.317 7.369 1.00 0.00 C ATOM 1116 O VAL A 67 -5.420 -1.709 8.383 1.00 0.00 O ATOM 1117 CB VAL A 67 -8.172 -3.070 7.526 1.00 0.00 C ATOM 1118 CG1 VAL A 67 -8.512 -1.902 6.591 1.00 0.00 C ATOM 1119 CG2 VAL A 67 -9.085 -4.236 7.153 1.00 0.00 C ATOM 0 H VAL A 67 -6.666 -3.879 9.473 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.550 -4.098 6.552 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.330 -2.740 8.553 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.567 -1.649 6.694 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.904 -1.037 6.854 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.307 -2.190 5.560 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.125 -3.914 7.203 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.856 -4.568 6.140 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.926 -5.060 7.849 1.00 0.00 H new ATOM 1129 N TYR A 68 -5.354 -2.009 6.137 1.00 0.00 N ATOM 1130 CA TYR A 68 -4.568 -0.828 5.842 1.00 0.00 C ATOM 1131 C TYR A 68 -5.525 0.232 5.321 1.00 0.00 C ATOM 1132 O TYR A 68 -6.183 0.012 4.304 1.00 0.00 O ATOM 1133 CB TYR A 68 -3.533 -1.153 4.767 1.00 0.00 C ATOM 1134 CG TYR A 68 -2.647 -2.315 5.140 1.00 0.00 C ATOM 1135 CD1 TYR A 68 -1.724 -2.180 6.192 1.00 0.00 C ATOM 1136 CD2 TYR A 68 -2.865 -3.571 4.550 1.00 0.00 C ATOM 1137 CE1 TYR A 68 -1.006 -3.300 6.644 1.00 0.00 C ATOM 1138 CE2 TYR A 68 -2.144 -4.684 5.000 1.00 0.00 C ATOM 1139 CZ TYR A 68 -1.228 -4.553 6.054 1.00 0.00 C ATOM 1140 OH TYR A 68 -0.652 -5.662 6.587 1.00 0.00 O ATOM 0 H TYR A 68 -5.563 -2.580 5.318 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.046 -0.479 6.733 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.046 -1.379 3.832 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.915 -0.274 4.587 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.567 -1.216 6.652 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.586 -3.678 3.753 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.286 -3.197 7.442 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.294 -5.647 4.534 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.003 -5.811 7.490 1.00 0.00 H new ATOM 1150 N THR A 69 -5.598 1.373 6.002 1.00 0.00 N ATOM 1151 CA THR A 69 -6.406 2.504 5.589 1.00 0.00 C ATOM 1152 C THR A 69 -5.435 3.529 4.993 1.00 0.00 C ATOM 1153 O THR A 69 -4.545 3.976 5.721 1.00 0.00 O ATOM 1154 CB THR A 69 -7.141 3.085 6.796 1.00 0.00 C ATOM 1155 OG1 THR A 69 -6.218 3.389 7.820 1.00 0.00 O ATOM 1156 CG2 THR A 69 -8.177 2.113 7.364 1.00 0.00 C ATOM 0 H THR A 69 -5.087 1.534 6.870 1.00 0.00 H new ATOM 0 HA THR A 69 -7.162 2.217 4.858 1.00 0.00 H new ATOM 0 HB THR A 69 -7.655 3.983 6.452 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.332 3.539 7.428 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.674 2.570 8.220 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.916 1.880 6.597 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.680 1.195 7.680 1.00 0.00 H new ATOM 1164 N PRO A 70 -5.544 3.885 3.706 1.00 0.00 N ATOM 1165 CA PRO A 70 -4.638 4.832 3.080 1.00 0.00 C ATOM 1166 C PRO A 70 -4.683 6.207 3.750 1.00 0.00 C ATOM 1167 O PRO A 70 -5.762 6.730 4.016 1.00 0.00 O ATOM 1168 CB PRO A 70 -5.086 4.931 1.617 1.00 0.00 C ATOM 1169 CG PRO A 70 -5.815 3.611 1.376 1.00 0.00 C ATOM 1170 CD PRO A 70 -6.463 3.332 2.731 1.00 0.00 C ATOM 0 HA PRO A 70 -3.606 4.493 3.173 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -5.742 5.787 1.455 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.236 5.049 0.944 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -6.557 3.698 0.583 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.128 2.817 1.085 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.444 3.801 2.803 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.608 2.263 2.887 1.00 0.00 H new ATOM 1178 N ASN A 71 -3.513 6.797 4.001 1.00 0.00 N ATOM 1179 CA ASN A 71 -3.390 8.149 4.546 1.00 0.00 C ATOM 1180 C ASN A 71 -3.472 9.148 3.394 1.00 0.00 C ATOM 1181 O ASN A 71 -3.965 10.261 3.553 1.00 0.00 O ATOM 1182 CB ASN A 71 -2.036 8.323 5.253 1.00 0.00 C ATOM 1183 CG ASN A 71 -1.855 7.409 6.456 1.00 0.00 C ATOM 1184 OD1 ASN A 71 -2.794 6.778 6.925 1.00 0.00 O ATOM 1185 ND2 ASN A 71 -0.627 7.313 6.951 1.00 0.00 N ATOM 0 H ASN A 71 -2.615 6.344 3.830 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.191 8.318 5.265 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.235 8.132 4.538 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.935 9.359 5.576 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.444 6.700 7.745 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.133 7.852 6.537 1.00 0.00 H new ATOM 1192 N ILE A 72 -2.949 8.735 2.238 1.00 0.00 N ATOM 1193 CA ILE A 72 -2.853 9.498 1.005 1.00 0.00 C ATOM 1194 C ILE A 72 -3.764 8.893 -0.068 1.00 0.00 C ATOM 1195 O ILE A 72 -4.191 7.742 0.036 1.00 0.00 O ATOM 1196 CB ILE A 72 -1.383 9.517 0.542 1.00 0.00 C ATOM 1197 CG1 ILE A 72 -0.770 8.109 0.627 1.00 0.00 C ATOM 1198 CG2 ILE A 72 -0.573 10.491 1.408 1.00 0.00 C ATOM 1199 CD1 ILE A 72 0.504 7.951 -0.199 1.00 0.00 C ATOM 0 H ILE A 72 -2.558 7.798 2.138 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.184 10.522 1.177 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.352 9.848 -0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.549 7.879 1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.506 7.379 0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.465 10.498 1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.991 11.494 1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.617 10.174 2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.883 6.934 -0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.284 8.149 -1.248 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.256 8.657 0.154 1.00 0.00 H new