USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 519 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 49 THR OG1 : rot 180:sc= -0.0288 USER MOD Set 1.2: A 51 HIS :FLIP no HD1:sc= -2.34 F(o=-3.5!,f=-2.4) USER MOD Set 2.1: A 25 ASN : amide:sc= -9.52! C(o=-11!,f=-15!) USER MOD Set 2.2: A 69 GLN : amide:sc= -1.82 X(o=-11,f=-12) USER MOD Set 3.1: A 19 ASN : amide:sc= -0.098 X(o=-0.48,f=-0.37) USER MOD Set 3.2: A 22 GLN : amide:sc= -0.38 K(o=-0.48,f=-1.1) USER MOD Single : A 11 GLN :FLIP amide:sc= -2.66 F(o=-4!,f=-2.7) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -1.29 K(o=-1.3,f=-4.6!) USER MOD Single : A 41 LYS NZ :NH3+ -162:sc= -0.145 (180deg=-0.585) USER MOD Single : A 42 SER OG : rot 40:sc= 0.649 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -3.89 F(o=-4.7!,f=-3.9) USER MOD Single : A 60 GLN : amide:sc=-0.000885 X(o=-0.00089,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -70:sc= 0.975 USER MOD Single : A 73 TYR OH : rot -100:sc= -0.0257 USER MOD Single : A 74 SER OG : rot 42:sc= 1.07 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 144 N ASP A 10 6.813 -6.304 5.325 1.00 0.00 N ATOM 145 CA ASP A 10 5.737 -5.624 4.624 1.00 0.00 C ATOM 146 C ASP A 10 5.486 -4.264 5.280 1.00 0.00 C ATOM 147 O ASP A 10 6.213 -3.867 6.190 1.00 0.00 O ATOM 148 CB ASP A 10 4.439 -6.430 4.694 1.00 0.00 C ATOM 149 CG ASP A 10 4.231 -7.421 3.547 1.00 0.00 C ATOM 150 OD1 ASP A 10 5.253 -7.812 2.942 1.00 0.00 O ATOM 151 OD2 ASP A 10 3.055 -7.766 3.301 1.00 0.00 O ATOM 0 HA ASP A 10 6.034 -5.508 3.582 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.420 -6.978 5.636 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.599 -5.736 4.712 1.00 0.00 H new ATOM 156 N GLN A 11 4.455 -3.590 4.793 1.00 0.00 N ATOM 157 CA GLN A 11 4.100 -2.283 5.321 1.00 0.00 C ATOM 158 C GLN A 11 2.756 -1.828 4.747 1.00 0.00 C ATOM 159 O GLN A 11 2.502 -1.981 3.554 1.00 0.00 O ATOM 160 CB GLN A 11 5.196 -1.258 5.031 1.00 0.00 C ATOM 161 CG GLN A 11 5.094 -0.062 5.981 1.00 0.00 C ATOM 162 CD GLN A 11 5.938 1.111 5.479 1.00 0.00 C ATOM 163 OE1 GLN A 11 7.242 0.853 5.421 1.00 0.00 O flip ATOM 164 NE2 GLN A 11 5.439 2.178 5.165 1.00 0.00 N flip ATOM 0 H GLN A 11 3.854 -3.924 4.039 1.00 0.00 H new ATOM 0 HA GLN A 11 4.003 -2.363 6.404 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.174 -1.727 5.135 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.115 -0.916 3.999 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.053 0.247 6.072 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.427 -0.355 6.977 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.430 2.309 5.234 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.031 2.940 4.833 1.00 0.00 H new ATOM 173 N VAL A 12 1.930 -1.276 5.626 1.00 0.00 N ATOM 174 CA VAL A 12 0.620 -0.797 5.222 1.00 0.00 C ATOM 175 C VAL A 12 0.703 0.698 4.909 1.00 0.00 C ATOM 176 O VAL A 12 1.695 1.350 5.232 1.00 0.00 O ATOM 177 CB VAL A 12 -0.413 -1.126 6.302 1.00 0.00 C ATOM 178 CG1 VAL A 12 -1.791 -1.372 5.685 1.00 0.00 C ATOM 179 CG2 VAL A 12 0.034 -2.324 7.142 1.00 0.00 C ATOM 0 H VAL A 12 2.144 -1.151 6.615 1.00 0.00 H new ATOM 0 HA VAL A 12 0.292 -1.301 4.313 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.492 -0.264 6.964 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.507 -1.604 6.474 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.116 -0.479 5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.734 -2.209 4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.718 -2.536 7.902 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.155 -3.195 6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.984 -2.095 7.625 1.00 0.00 H new ATOM 189 N LEU A 13 -0.353 1.199 4.283 1.00 0.00 N ATOM 190 CA LEU A 13 -0.412 2.605 3.923 1.00 0.00 C ATOM 191 C LEU A 13 -1.875 3.024 3.761 1.00 0.00 C ATOM 192 O LEU A 13 -2.702 2.240 3.298 1.00 0.00 O ATOM 193 CB LEU A 13 0.447 2.878 2.687 1.00 0.00 C ATOM 194 CG LEU A 13 -0.237 2.665 1.335 1.00 0.00 C ATOM 195 CD1 LEU A 13 -0.576 4.004 0.676 1.00 0.00 C ATOM 196 CD2 LEU A 13 0.614 1.778 0.424 1.00 0.00 C ATOM 0 H LEU A 13 -1.174 0.656 4.016 1.00 0.00 H new ATOM 0 HA LEU A 13 0.010 3.220 4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.800 3.908 2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.327 2.237 2.732 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.178 2.142 1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.061 3.825 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.248 4.568 1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.340 4.574 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.105 1.642 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.581 2.251 0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.763 0.807 0.897 1.00 0.00 H new ATOM 208 N GLU A 14 -2.149 4.260 4.151 1.00 0.00 N ATOM 209 CA GLU A 14 -3.498 4.793 4.054 1.00 0.00 C ATOM 210 C GLU A 14 -3.644 5.640 2.788 1.00 0.00 C ATOM 211 O GLU A 14 -2.867 6.567 2.565 1.00 0.00 O ATOM 212 CB GLU A 14 -3.858 5.603 5.300 1.00 0.00 C ATOM 213 CG GLU A 14 -2.675 6.460 5.758 1.00 0.00 C ATOM 214 CD GLU A 14 -3.159 7.751 6.421 1.00 0.00 C ATOM 215 OE1 GLU A 14 -4.007 8.426 5.799 1.00 0.00 O ATOM 216 OE2 GLU A 14 -2.669 8.035 7.537 1.00 0.00 O ATOM 0 H GLU A 14 -1.461 4.908 4.535 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.195 3.957 3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.714 6.243 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.156 4.929 6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.061 5.895 6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.043 6.701 4.903 1.00 0.00 H new ATOM 223 N ILE A 15 -4.645 5.293 1.993 1.00 0.00 N ATOM 224 CA ILE A 15 -4.903 6.010 0.757 1.00 0.00 C ATOM 225 C ILE A 15 -6.272 6.687 0.842 1.00 0.00 C ATOM 226 O ILE A 15 -7.200 6.147 1.440 1.00 0.00 O ATOM 227 CB ILE A 15 -4.754 5.075 -0.446 1.00 0.00 C ATOM 228 CG1 ILE A 15 -3.435 4.302 -0.378 1.00 0.00 C ATOM 229 CG2 ILE A 15 -4.899 5.844 -1.759 1.00 0.00 C ATOM 230 CD1 ILE A 15 -3.609 2.875 -0.902 1.00 0.00 C ATOM 0 H ILE A 15 -5.288 4.524 2.181 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.164 6.799 0.613 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.560 4.342 -0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.676 4.819 -0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.078 4.274 0.652 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.789 5.156 -2.597 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.883 6.312 -1.800 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.129 6.613 -1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.657 2.347 -0.843 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.351 2.354 -0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.943 2.906 -1.939 1.00 0.00 H new ATOM 242 N VAL A 16 -6.355 7.862 0.233 1.00 0.00 N ATOM 243 CA VAL A 16 -7.594 8.620 0.232 1.00 0.00 C ATOM 244 C VAL A 16 -7.952 9.001 -1.205 1.00 0.00 C ATOM 245 O VAL A 16 -7.485 10.019 -1.716 1.00 0.00 O ATOM 246 CB VAL A 16 -7.468 9.830 1.158 1.00 0.00 C ATOM 247 CG1 VAL A 16 -8.795 10.586 1.259 1.00 0.00 C ATOM 248 CG2 VAL A 16 -6.968 9.412 2.543 1.00 0.00 C ATOM 0 H VAL A 16 -5.583 8.307 -0.263 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.413 8.015 0.621 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.730 10.506 0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.677 11.442 1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.092 10.934 0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.563 9.922 1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.887 10.292 3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.670 8.706 2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.990 8.941 2.450 1.00 0.00 H new ATOM 258 N PRO A 17 -8.799 8.143 -1.835 1.00 0.00 N ATOM 259 CA PRO A 17 -9.226 8.380 -3.203 1.00 0.00 C ATOM 260 C PRO A 17 -10.261 9.505 -3.267 1.00 0.00 C ATOM 261 O PRO A 17 -10.553 10.144 -2.257 1.00 0.00 O ATOM 262 CB PRO A 17 -9.769 7.045 -3.683 1.00 0.00 C ATOM 263 CG PRO A 17 -10.055 6.235 -2.428 1.00 0.00 C ATOM 264 CD PRO A 17 -9.372 6.928 -1.261 1.00 0.00 C ATOM 0 HA PRO A 17 -8.412 8.717 -3.845 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.674 7.182 -4.274 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.046 6.536 -4.320 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.129 6.165 -2.255 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.683 5.216 -2.538 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.083 7.162 -0.468 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.601 6.296 -0.821 1.00 0.00 H new ATOM 272 N SER A 18 -10.789 9.711 -4.465 1.00 0.00 N ATOM 273 CA SER A 18 -11.786 10.748 -4.675 1.00 0.00 C ATOM 274 C SER A 18 -12.206 10.781 -6.145 1.00 0.00 C ATOM 275 O SER A 18 -13.371 11.023 -6.457 1.00 0.00 O ATOM 276 CB SER A 18 -11.257 12.117 -4.243 1.00 0.00 C ATOM 277 OG SER A 18 -12.193 13.158 -4.506 1.00 0.00 O ATOM 0 H SER A 18 -10.545 9.178 -5.300 1.00 0.00 H new ATOM 0 HA SER A 18 -12.656 10.515 -4.061 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.027 12.097 -3.178 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.324 12.327 -4.767 1.00 0.00 H new ATOM 0 HG SER A 18 -11.819 14.016 -4.215 1.00 0.00 H new ATOM 283 N ASN A 19 -11.233 10.533 -7.011 1.00 0.00 N ATOM 284 CA ASN A 19 -11.486 10.531 -8.441 1.00 0.00 C ATOM 285 C ASN A 19 -11.550 9.087 -8.942 1.00 0.00 C ATOM 286 O ASN A 19 -10.927 8.198 -8.363 1.00 0.00 O ATOM 287 CB ASN A 19 -10.367 11.246 -9.200 1.00 0.00 C ATOM 288 CG ASN A 19 -10.667 12.740 -9.340 1.00 0.00 C ATOM 289 OD1 ASN A 19 -11.649 13.149 -9.938 1.00 0.00 O ATOM 290 ND2 ASN A 19 -9.768 13.528 -8.758 1.00 0.00 N ATOM 0 H ASN A 19 -10.268 10.332 -6.749 1.00 0.00 H new ATOM 0 HA ASN A 19 -12.429 11.049 -8.617 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.422 11.109 -8.675 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -10.251 10.801 -10.188 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.877 14.541 -8.796 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -8.969 13.119 -8.274 1.00 0.00 H new ATOM 297 N GLU A 20 -12.308 8.898 -10.012 1.00 0.00 N ATOM 298 CA GLU A 20 -12.460 7.576 -10.597 1.00 0.00 C ATOM 299 C GLU A 20 -11.131 7.098 -11.184 1.00 0.00 C ATOM 300 O GLU A 20 -10.795 5.919 -11.091 1.00 0.00 O ATOM 301 CB GLU A 20 -13.563 7.570 -11.659 1.00 0.00 C ATOM 302 CG GLU A 20 -14.949 7.576 -11.011 1.00 0.00 C ATOM 303 CD GLU A 20 -15.736 8.824 -11.414 1.00 0.00 C ATOM 304 OE1 GLU A 20 -15.427 9.896 -10.850 1.00 0.00 O ATOM 305 OE2 GLU A 20 -16.630 8.678 -12.275 1.00 0.00 O ATOM 0 H GLU A 20 -12.823 9.638 -10.489 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.756 6.884 -9.809 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.456 8.442 -12.305 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.458 6.689 -12.293 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.498 6.683 -11.310 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.848 7.540 -9.926 1.00 0.00 H new ATOM 312 N GLU A 21 -10.410 8.040 -11.777 1.00 0.00 N ATOM 313 CA GLU A 21 -9.125 7.731 -12.378 1.00 0.00 C ATOM 314 C GLU A 21 -8.160 7.188 -11.321 1.00 0.00 C ATOM 315 O GLU A 21 -7.471 6.196 -11.554 1.00 0.00 O ATOM 316 CB GLU A 21 -8.537 8.956 -13.079 1.00 0.00 C ATOM 317 CG GLU A 21 -7.028 8.805 -13.276 1.00 0.00 C ATOM 318 CD GLU A 21 -6.571 9.494 -14.564 1.00 0.00 C ATOM 319 OE1 GLU A 21 -7.276 9.318 -15.582 1.00 0.00 O ATOM 320 OE2 GLU A 21 -5.528 10.181 -14.501 1.00 0.00 O ATOM 0 H GLU A 21 -10.693 9.017 -11.853 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.277 6.960 -13.133 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.021 9.093 -14.046 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.743 9.850 -12.490 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.502 9.234 -12.423 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.767 7.747 -13.313 1.00 0.00 H new ATOM 327 N GLN A 22 -8.141 7.864 -10.182 1.00 0.00 N ATOM 328 CA GLN A 22 -7.272 7.463 -9.088 1.00 0.00 C ATOM 329 C GLN A 22 -7.692 6.093 -8.552 1.00 0.00 C ATOM 330 O GLN A 22 -6.846 5.257 -8.242 1.00 0.00 O ATOM 331 CB GLN A 22 -7.273 8.512 -7.974 1.00 0.00 C ATOM 332 CG GLN A 22 -6.184 9.562 -8.209 1.00 0.00 C ATOM 333 CD GLN A 22 -6.756 10.794 -8.915 1.00 0.00 C ATOM 334 OE1 GLN A 22 -7.166 10.750 -10.062 1.00 0.00 O ATOM 335 NE2 GLN A 22 -6.758 11.893 -8.165 1.00 0.00 N ATOM 0 H GLN A 22 -8.713 8.687 -9.993 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.253 7.386 -9.468 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.248 8.998 -7.928 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.113 8.026 -7.012 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.745 9.856 -7.256 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.383 9.132 -8.810 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.399 11.860 -7.211 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.118 12.769 -8.544 1.00 0.00 H new ATOM 344 N ILE A 23 -9.001 5.906 -8.458 1.00 0.00 N ATOM 345 CA ILE A 23 -9.544 4.652 -7.964 1.00 0.00 C ATOM 346 C ILE A 23 -9.337 3.562 -9.018 1.00 0.00 C ATOM 347 O ILE A 23 -9.063 2.411 -8.679 1.00 0.00 O ATOM 348 CB ILE A 23 -11.003 4.829 -7.541 1.00 0.00 C ATOM 349 CG1 ILE A 23 -11.098 5.427 -6.136 1.00 0.00 C ATOM 350 CG2 ILE A 23 -11.773 3.512 -7.657 1.00 0.00 C ATOM 351 CD1 ILE A 23 -12.556 5.656 -5.734 1.00 0.00 C ATOM 0 H ILE A 23 -9.701 6.602 -8.716 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.013 4.334 -7.067 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.472 5.536 -8.225 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.620 4.759 -5.420 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.555 6.372 -6.102 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.807 3.667 -7.350 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.749 3.166 -8.690 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.312 2.763 -7.013 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.594 6.082 -4.731 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.024 6.344 -6.438 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.090 4.706 -5.746 1.00 0.00 H new ATOM 363 N LYS A 24 -9.476 3.962 -10.273 1.00 0.00 N ATOM 364 CA LYS A 24 -9.309 3.033 -11.378 1.00 0.00 C ATOM 365 C LYS A 24 -7.841 2.610 -11.464 1.00 0.00 C ATOM 366 O LYS A 24 -7.516 1.614 -12.107 1.00 0.00 O ATOM 367 CB LYS A 24 -9.851 3.640 -12.674 1.00 0.00 C ATOM 368 CG LYS A 24 -9.150 3.040 -13.894 1.00 0.00 C ATOM 369 CD LYS A 24 -9.666 3.673 -15.189 1.00 0.00 C ATOM 370 CE LYS A 24 -10.199 2.605 -16.147 1.00 0.00 C ATOM 371 NZ LYS A 24 -10.228 3.121 -17.533 1.00 0.00 N ATOM 0 H LYS A 24 -9.702 4.917 -10.550 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.893 2.128 -11.208 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.924 3.462 -12.742 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.707 4.720 -12.662 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.074 3.195 -13.813 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.316 1.963 -13.920 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.456 4.387 -14.959 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.863 4.231 -15.671 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.570 1.716 -16.097 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.202 2.304 -15.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.592 2.384 -18.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.847 3.956 -17.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.266 3.386 -17.825 1.00 0.00 H new ATOM 385 N ASN A 25 -6.994 3.389 -10.807 1.00 0.00 N ATOM 386 CA ASN A 25 -5.569 3.107 -10.801 1.00 0.00 C ATOM 387 C ASN A 25 -5.297 1.895 -9.908 1.00 0.00 C ATOM 388 O ASN A 25 -4.723 0.904 -10.358 1.00 0.00 O ATOM 389 CB ASN A 25 -4.776 4.291 -10.245 1.00 0.00 C ATOM 390 CG ASN A 25 -3.383 4.362 -10.875 1.00 0.00 C ATOM 391 OD1 ASN A 25 -2.367 4.215 -10.216 1.00 0.00 O ATOM 392 ND2 ASN A 25 -3.393 4.595 -12.185 1.00 0.00 N ATOM 0 H ASN A 25 -7.268 4.215 -10.275 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.259 2.915 -11.828 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.315 5.218 -10.440 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.685 4.197 -9.163 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.514 4.660 -12.698 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.280 4.708 -12.676 1.00 0.00 H new ATOM 399 N LEU A 26 -5.721 2.013 -8.658 1.00 0.00 N ATOM 400 CA LEU A 26 -5.530 0.940 -7.698 1.00 0.00 C ATOM 401 C LEU A 26 -6.021 -0.376 -8.306 1.00 0.00 C ATOM 402 O LEU A 26 -5.243 -1.311 -8.482 1.00 0.00 O ATOM 403 CB LEU A 26 -6.197 1.288 -6.365 1.00 0.00 C ATOM 404 CG LEU A 26 -5.529 0.717 -5.113 1.00 0.00 C ATOM 405 CD1 LEU A 26 -4.564 1.731 -4.496 1.00 0.00 C ATOM 406 CD2 LEU A 26 -6.575 0.235 -4.106 1.00 0.00 C ATOM 0 H LEU A 26 -6.196 2.836 -8.288 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.471 0.813 -7.475 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.232 2.373 -6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.229 0.937 -6.395 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.939 -0.152 -5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.103 1.300 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.790 1.984 -5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.111 2.632 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.074 -0.166 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.210 1.071 -3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.187 -0.543 -4.562 1.00 0.00 H new ATOM 418 N LEU A 27 -7.311 -0.405 -8.611 1.00 0.00 N ATOM 419 CA LEU A 27 -7.916 -1.589 -9.195 1.00 0.00 C ATOM 420 C LEU A 27 -6.979 -2.161 -10.263 1.00 0.00 C ATOM 421 O LEU A 27 -6.658 -3.348 -10.241 1.00 0.00 O ATOM 422 CB LEU A 27 -9.320 -1.275 -9.714 1.00 0.00 C ATOM 423 CG LEU A 27 -10.463 -1.474 -8.717 1.00 0.00 C ATOM 424 CD1 LEU A 27 -11.247 -0.176 -8.516 1.00 0.00 C ATOM 425 CD2 LEU A 27 -11.368 -2.631 -9.143 1.00 0.00 C ATOM 0 H LEU A 27 -7.953 0.374 -8.464 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.048 -2.362 -8.437 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.337 -0.240 -10.054 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.512 -1.900 -10.586 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.032 -1.742 -7.752 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.054 -0.345 -7.803 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.580 0.596 -8.133 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.667 0.147 -9.469 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.172 -2.750 -8.417 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.794 -2.418 -10.124 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.784 -3.550 -9.193 1.00 0.00 H new ATOM 437 N GLN A 28 -6.569 -1.288 -11.171 1.00 0.00 N ATOM 438 CA GLN A 28 -5.676 -1.691 -12.245 1.00 0.00 C ATOM 439 C GLN A 28 -4.398 -2.304 -11.671 1.00 0.00 C ATOM 440 O GLN A 28 -3.868 -3.269 -12.219 1.00 0.00 O ATOM 441 CB GLN A 28 -5.352 -0.508 -13.162 1.00 0.00 C ATOM 442 CG GLN A 28 -5.130 -0.975 -14.601 1.00 0.00 C ATOM 443 CD GLN A 28 -3.723 -0.615 -15.084 1.00 0.00 C ATOM 444 OE1 GLN A 28 -2.800 -1.410 -15.035 1.00 0.00 O ATOM 445 NE2 GLN A 28 -3.614 0.626 -15.550 1.00 0.00 N ATOM 0 H GLN A 28 -6.838 -0.304 -11.186 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.181 -2.447 -12.846 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.168 0.214 -13.132 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.460 0.004 -12.800 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.275 -2.054 -14.663 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.871 -0.515 -15.255 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.429 1.240 -15.562 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.716 0.964 -15.895 1.00 0.00 H new ATOM 454 N LEU A 29 -3.939 -1.720 -10.574 1.00 0.00 N ATOM 455 CA LEU A 29 -2.734 -2.198 -9.920 1.00 0.00 C ATOM 456 C LEU A 29 -2.984 -3.598 -9.356 1.00 0.00 C ATOM 457 O LEU A 29 -2.347 -4.563 -9.775 1.00 0.00 O ATOM 458 CB LEU A 29 -2.258 -1.190 -8.871 1.00 0.00 C ATOM 459 CG LEU A 29 -1.287 -1.727 -7.817 1.00 0.00 C ATOM 460 CD1 LEU A 29 0.057 -2.096 -8.448 1.00 0.00 C ATOM 461 CD2 LEU A 29 -1.126 -0.733 -6.665 1.00 0.00 C ATOM 0 H LEU A 29 -4.381 -0.920 -10.122 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.920 -2.285 -10.640 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.779 -0.358 -9.387 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.132 -0.788 -8.359 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.707 -2.641 -7.398 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.729 -2.475 -7.678 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.096 -2.864 -9.206 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.497 -1.212 -8.910 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.431 -1.138 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.738 0.210 -7.050 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.094 -0.562 -6.194 1.00 0.00 H new ATOM 473 N GLU A 30 -3.915 -3.665 -8.415 1.00 0.00 N ATOM 474 CA GLU A 30 -4.258 -4.932 -7.791 1.00 0.00 C ATOM 475 C GLU A 30 -4.586 -5.978 -8.858 1.00 0.00 C ATOM 476 O GLU A 30 -4.477 -7.177 -8.610 1.00 0.00 O ATOM 477 CB GLU A 30 -5.421 -4.763 -6.811 1.00 0.00 C ATOM 478 CG GLU A 30 -5.326 -5.773 -5.667 1.00 0.00 C ATOM 479 CD GLU A 30 -5.606 -7.193 -6.165 1.00 0.00 C ATOM 480 OE1 GLU A 30 -6.502 -7.326 -7.026 1.00 0.00 O ATOM 481 OE2 GLU A 30 -4.918 -8.113 -5.672 1.00 0.00 O ATOM 0 H GLU A 30 -4.442 -2.863 -8.070 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.396 -5.281 -7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.417 -3.750 -6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.367 -4.893 -7.338 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.333 -5.730 -5.220 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.039 -5.511 -4.885 1.00 0.00 H new ATOM 488 N ALA A 31 -4.982 -5.485 -10.022 1.00 0.00 N ATOM 489 CA ALA A 31 -5.327 -6.362 -11.128 1.00 0.00 C ATOM 490 C ALA A 31 -4.076 -7.116 -11.584 1.00 0.00 C ATOM 491 O ALA A 31 -4.134 -8.315 -11.853 1.00 0.00 O ATOM 492 CB ALA A 31 -5.956 -5.540 -12.255 1.00 0.00 C ATOM 0 H ALA A 31 -5.072 -4.489 -10.223 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.063 -7.103 -10.816 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.215 -6.198 -13.085 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.857 -5.048 -11.888 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.245 -4.788 -12.597 1.00 0.00 H new ATOM 498 N GLN A 32 -2.975 -6.382 -11.658 1.00 0.00 N ATOM 499 CA GLN A 32 -1.713 -6.967 -12.077 1.00 0.00 C ATOM 500 C GLN A 32 -1.417 -8.229 -11.265 1.00 0.00 C ATOM 501 O GLN A 32 -0.836 -8.154 -10.184 1.00 0.00 O ATOM 502 CB GLN A 32 -0.572 -5.954 -11.952 1.00 0.00 C ATOM 503 CG GLN A 32 -0.404 -5.156 -13.247 1.00 0.00 C ATOM 504 CD GLN A 32 0.178 -6.030 -14.359 1.00 0.00 C ATOM 505 OE1 GLN A 32 -0.402 -7.022 -14.772 1.00 0.00 O ATOM 506 NE2 GLN A 32 1.353 -5.610 -14.819 1.00 0.00 N ATOM 0 H GLN A 32 -2.931 -5.388 -11.435 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.795 -7.246 -13.127 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.774 -5.274 -11.125 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.357 -6.474 -11.718 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.369 -4.758 -13.560 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.251 -4.303 -13.070 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.783 -4.771 -14.429 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.824 -6.126 -15.562 1.00 0.00 H new ATOM 584 N LEU A 37 -2.321 -7.090 -4.518 1.00 0.00 N ATOM 585 CA LEU A 37 -2.317 -6.609 -3.148 1.00 0.00 C ATOM 586 C LEU A 37 -3.705 -6.808 -2.537 1.00 0.00 C ATOM 587 O LEU A 37 -4.700 -6.885 -3.258 1.00 0.00 O ATOM 588 CB LEU A 37 -1.820 -5.163 -3.089 1.00 0.00 C ATOM 589 CG LEU A 37 -0.818 -4.753 -4.171 1.00 0.00 C ATOM 590 CD1 LEU A 37 -1.454 -3.782 -5.167 1.00 0.00 C ATOM 591 CD2 LEU A 37 0.458 -4.182 -3.548 1.00 0.00 C ATOM 0 HA LEU A 37 -1.617 -7.187 -2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.683 -4.500 -3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.360 -4.997 -2.115 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.533 -5.645 -4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.721 -3.506 -5.925 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.309 -4.260 -5.646 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.786 -2.887 -4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.153 -3.898 -4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.210 -3.305 -2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.921 -4.936 -2.911 1.00 0.00 H new ATOM 603 N ASP A 38 -3.730 -6.884 -1.215 1.00 0.00 N ATOM 604 CA ASP A 38 -4.981 -7.072 -0.499 1.00 0.00 C ATOM 605 C ASP A 38 -5.424 -5.736 0.103 1.00 0.00 C ATOM 606 O ASP A 38 -4.730 -5.171 0.946 1.00 0.00 O ATOM 607 CB ASP A 38 -4.816 -8.074 0.644 1.00 0.00 C ATOM 608 CG ASP A 38 -5.089 -9.533 0.269 1.00 0.00 C ATOM 609 OD1 ASP A 38 -4.253 -10.093 -0.472 1.00 0.00 O ATOM 610 OD2 ASP A 38 -6.126 -10.053 0.732 1.00 0.00 O ATOM 0 H ASP A 38 -2.904 -6.819 -0.620 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.721 -7.450 -1.205 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.800 -7.998 1.030 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.487 -7.791 1.455 1.00 0.00 H new ATOM 615 N PHE A 39 -6.579 -5.273 -0.353 1.00 0.00 N ATOM 616 CA PHE A 39 -7.123 -4.016 0.131 1.00 0.00 C ATOM 617 C PHE A 39 -8.057 -4.243 1.322 1.00 0.00 C ATOM 618 O PHE A 39 -8.999 -5.030 1.235 1.00 0.00 O ATOM 619 CB PHE A 39 -7.924 -3.403 -1.019 1.00 0.00 C ATOM 620 CG PHE A 39 -7.079 -3.045 -2.244 1.00 0.00 C ATOM 621 CD1 PHE A 39 -5.850 -2.487 -2.083 1.00 0.00 C ATOM 622 CD2 PHE A 39 -7.558 -3.286 -3.494 1.00 0.00 C ATOM 623 CE1 PHE A 39 -5.066 -2.155 -3.219 1.00 0.00 C ATOM 624 CE2 PHE A 39 -6.774 -2.954 -4.631 1.00 0.00 C ATOM 625 CZ PHE A 39 -5.545 -2.396 -4.469 1.00 0.00 C ATOM 0 H PHE A 39 -7.152 -5.746 -1.052 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.314 -3.363 0.458 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -8.703 -4.104 -1.320 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.425 -2.504 -0.661 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.470 -2.296 -1.090 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.534 -3.730 -3.622 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.090 -1.711 -3.091 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.154 -3.145 -5.624 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.949 -2.144 -5.333 1.00 0.00 H new ATOM 635 N TRP A 40 -7.763 -3.543 2.407 1.00 0.00 N ATOM 636 CA TRP A 40 -8.564 -3.658 3.614 1.00 0.00 C ATOM 637 C TRP A 40 -9.919 -2.998 3.347 1.00 0.00 C ATOM 638 O TRP A 40 -10.952 -3.667 3.357 1.00 0.00 O ATOM 639 CB TRP A 40 -7.834 -3.059 4.816 1.00 0.00 C ATOM 640 CG TRP A 40 -6.665 -3.908 5.321 1.00 0.00 C ATOM 641 CD1 TRP A 40 -6.188 -5.047 4.802 1.00 0.00 C ATOM 642 CD2 TRP A 40 -5.838 -3.635 6.473 1.00 0.00 C ATOM 643 NE1 TRP A 40 -5.120 -5.528 5.531 1.00 0.00 N ATOM 644 CE2 TRP A 40 -4.901 -4.642 6.580 1.00 0.00 C ATOM 645 CE3 TRP A 40 -5.882 -2.573 7.392 1.00 0.00 C ATOM 646 CZ2 TRP A 40 -3.936 -4.686 7.593 1.00 0.00 C ATOM 647 CZ3 TRP A 40 -4.911 -2.632 8.400 1.00 0.00 C ATOM 648 CH2 TRP A 40 -3.961 -3.638 8.522 1.00 0.00 C ATOM 0 H TRP A 40 -6.980 -2.893 2.476 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.731 -4.705 3.868 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -7.462 -2.071 4.546 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -8.547 -2.920 5.629 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.589 -5.529 3.923 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.589 -6.377 5.336 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.607 -1.775 7.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.212 -5.485 7.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -4.900 -1.840 9.134 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.245 -3.612 9.330 1.00 0.00 H new ATOM 659 N LYS A 41 -9.870 -1.696 3.114 1.00 0.00 N ATOM 660 CA LYS A 41 -11.080 -0.938 2.845 1.00 0.00 C ATOM 661 C LYS A 41 -11.290 -0.839 1.333 1.00 0.00 C ATOM 662 O LYS A 41 -10.613 -0.065 0.658 1.00 0.00 O ATOM 663 CB LYS A 41 -11.031 0.420 3.549 1.00 0.00 C ATOM 664 CG LYS A 41 -11.629 0.332 4.954 1.00 0.00 C ATOM 665 CD LYS A 41 -12.731 1.376 5.147 1.00 0.00 C ATOM 666 CE LYS A 41 -14.109 0.713 5.217 1.00 0.00 C ATOM 667 NZ LYS A 41 -15.157 1.650 4.758 1.00 0.00 N ATOM 0 H LYS A 41 -9.011 -1.146 3.106 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.949 -1.452 3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.999 0.765 3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.579 1.157 2.962 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.036 -0.666 5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.846 0.483 5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.547 1.939 6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.709 2.090 4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.119 -0.185 4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.316 0.398 6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.087 1.320 5.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.969 2.597 5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.153 1.693 3.719 1.00 0.00 H new ATOM 681 N SER A 42 -12.230 -1.634 0.845 1.00 0.00 N ATOM 682 CA SER A 42 -12.538 -1.646 -0.576 1.00 0.00 C ATOM 683 C SER A 42 -12.509 -0.220 -1.129 1.00 0.00 C ATOM 684 O SER A 42 -13.469 0.533 -0.963 1.00 0.00 O ATOM 685 CB SER A 42 -13.899 -2.291 -0.840 1.00 0.00 C ATOM 686 OG SER A 42 -14.950 -1.622 -0.149 1.00 0.00 O ATOM 0 H SER A 42 -12.789 -2.275 1.408 1.00 0.00 H new ATOM 0 HA SER A 42 -11.780 -2.242 -1.085 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.104 -2.279 -1.910 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.871 -3.336 -0.532 1.00 0.00 H new ATOM 0 HG SER A 42 -14.803 -0.654 -0.189 1.00 0.00 H new ATOM 692 N PRO A 43 -11.371 0.118 -1.792 1.00 0.00 N ATOM 693 CA PRO A 43 -11.207 1.440 -2.371 1.00 0.00 C ATOM 694 C PRO A 43 -12.035 1.587 -3.649 1.00 0.00 C ATOM 695 O PRO A 43 -12.017 2.638 -4.287 1.00 0.00 O ATOM 696 CB PRO A 43 -9.711 1.580 -2.613 1.00 0.00 C ATOM 697 CG PRO A 43 -9.153 0.167 -2.596 1.00 0.00 C ATOM 698 CD PRO A 43 -10.216 -0.748 -2.008 1.00 0.00 C ATOM 0 HA PRO A 43 -11.568 2.233 -1.717 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.514 2.067 -3.568 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.246 2.193 -1.841 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.891 -0.152 -3.605 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.241 0.124 -2.001 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.455 -1.565 -2.688 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.879 -1.199 -1.075 1.00 0.00 H new ATOM 706 N THR A 44 -12.742 0.518 -3.984 1.00 0.00 N ATOM 707 CA THR A 44 -13.576 0.514 -5.173 1.00 0.00 C ATOM 708 C THR A 44 -14.260 1.872 -5.349 1.00 0.00 C ATOM 709 O THR A 44 -14.536 2.290 -6.472 1.00 0.00 O ATOM 710 CB THR A 44 -14.560 -0.651 -5.058 1.00 0.00 C ATOM 711 OG1 THR A 44 -13.880 -1.743 -5.672 1.00 0.00 O ATOM 712 CG2 THR A 44 -15.806 -0.454 -5.924 1.00 0.00 C ATOM 0 H THR A 44 -12.754 -0.352 -3.452 1.00 0.00 H new ATOM 0 HA THR A 44 -12.980 0.366 -6.073 1.00 0.00 H new ATOM 0 HB THR A 44 -14.858 -0.772 -4.016 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.447 -2.542 -5.639 1.00 0.00 H new ATOM 0 HG21 THR A 44 -16.471 -1.310 -5.805 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.324 0.454 -5.615 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.512 -0.366 -6.970 1.00 0.00 H new ATOM 720 N THR A 45 -14.513 2.522 -4.222 1.00 0.00 N ATOM 721 CA THR A 45 -15.159 3.822 -4.237 1.00 0.00 C ATOM 722 C THR A 45 -14.365 4.823 -3.396 1.00 0.00 C ATOM 723 O THR A 45 -13.640 4.432 -2.482 1.00 0.00 O ATOM 724 CB THR A 45 -16.602 3.640 -3.762 1.00 0.00 C ATOM 725 OG1 THR A 45 -16.486 3.498 -2.349 1.00 0.00 O ATOM 726 CG2 THR A 45 -17.206 2.311 -4.221 1.00 0.00 C ATOM 0 H THR A 45 -14.282 2.172 -3.292 1.00 0.00 H new ATOM 0 HA THR A 45 -15.183 4.238 -5.244 1.00 0.00 H new ATOM 0 HB THR A 45 -17.213 4.464 -4.132 1.00 0.00 H new ATOM 0 HG1 THR A 45 -17.377 3.377 -1.958 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.231 2.232 -3.857 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.203 2.267 -5.310 1.00 0.00 H new ATOM 0 HG23 THR A 45 -16.615 1.486 -3.823 1.00 0.00 H new ATOM 734 N PRO A 46 -14.531 6.127 -3.743 1.00 0.00 N ATOM 735 CA PRO A 46 -13.837 7.186 -3.030 1.00 0.00 C ATOM 736 C PRO A 46 -14.474 7.433 -1.662 1.00 0.00 C ATOM 737 O PRO A 46 -15.553 6.918 -1.372 1.00 0.00 O ATOM 738 CB PRO A 46 -13.914 8.395 -3.949 1.00 0.00 C ATOM 739 CG PRO A 46 -15.042 8.104 -4.926 1.00 0.00 C ATOM 740 CD PRO A 46 -15.381 6.626 -4.820 1.00 0.00 C ATOM 0 HA PRO A 46 -12.799 6.936 -2.810 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.113 9.305 -3.382 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -12.971 8.547 -4.475 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.915 8.714 -4.693 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -14.740 8.354 -5.943 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.437 6.477 -4.593 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.180 6.106 -5.756 1.00 0.00 H new ATOM 748 N GLY A 47 -13.779 8.222 -0.855 1.00 0.00 N ATOM 749 CA GLY A 47 -14.263 8.544 0.477 1.00 0.00 C ATOM 750 C GLY A 47 -13.800 7.500 1.496 1.00 0.00 C ATOM 751 O GLY A 47 -13.440 7.843 2.621 1.00 0.00 O ATOM 0 H GLY A 47 -12.885 8.648 -1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.902 9.529 0.771 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.352 8.593 0.470 1.00 0.00 H new ATOM 755 N GLU A 48 -13.827 6.247 1.065 1.00 0.00 N ATOM 756 CA GLU A 48 -13.415 5.151 1.926 1.00 0.00 C ATOM 757 C GLU A 48 -11.920 4.874 1.754 1.00 0.00 C ATOM 758 O GLU A 48 -11.510 4.236 0.785 1.00 0.00 O ATOM 759 CB GLU A 48 -14.241 3.894 1.647 1.00 0.00 C ATOM 760 CG GLU A 48 -15.647 4.258 1.167 1.00 0.00 C ATOM 761 CD GLU A 48 -16.689 3.296 1.743 1.00 0.00 C ATOM 762 OE1 GLU A 48 -16.698 3.147 2.984 1.00 0.00 O ATOM 763 OE2 GLU A 48 -17.452 2.732 0.929 1.00 0.00 O ATOM 0 H GLU A 48 -14.128 5.967 0.131 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.594 5.441 2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.741 3.286 0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -14.307 3.289 2.552 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.884 5.279 1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -15.682 4.229 0.078 1.00 0.00 H new ATOM 770 N THR A 49 -11.145 5.370 2.709 1.00 0.00 N ATOM 771 CA THR A 49 -9.705 5.184 2.674 1.00 0.00 C ATOM 772 C THR A 49 -9.362 3.700 2.532 1.00 0.00 C ATOM 773 O THR A 49 -10.158 2.837 2.899 1.00 0.00 O ATOM 774 CB THR A 49 -9.115 5.827 3.932 1.00 0.00 C ATOM 775 OG1 THR A 49 -9.863 5.249 4.999 1.00 0.00 O ATOM 776 CG2 THR A 49 -9.425 7.322 4.026 1.00 0.00 C ATOM 0 H THR A 49 -11.488 5.900 3.510 1.00 0.00 H new ATOM 0 HA THR A 49 -9.264 5.671 1.805 1.00 0.00 H new ATOM 0 HB THR A 49 -8.035 5.680 3.943 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.545 5.609 5.854 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.984 7.729 4.936 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.008 7.835 3.160 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.505 7.469 4.049 1.00 0.00 H new ATOM 784 N ALA A 50 -8.175 3.448 1.999 1.00 0.00 N ATOM 785 CA ALA A 50 -7.717 2.083 1.804 1.00 0.00 C ATOM 786 C ALA A 50 -6.480 1.836 2.671 1.00 0.00 C ATOM 787 O ALA A 50 -5.745 2.769 2.990 1.00 0.00 O ATOM 788 CB ALA A 50 -7.445 1.843 0.318 1.00 0.00 C ATOM 0 H ALA A 50 -7.517 4.166 1.696 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.484 1.373 2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.101 0.819 0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.361 2.003 -0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.678 2.536 -0.028 1.00 0.00 H new ATOM 794 N HIS A 51 -6.287 0.574 3.024 1.00 0.00 N ATOM 795 CA HIS A 51 -5.151 0.193 3.847 1.00 0.00 C ATOM 796 C HIS A 51 -4.698 -1.219 3.472 1.00 0.00 C ATOM 797 O HIS A 51 -5.208 -2.202 4.006 1.00 0.00 O ATOM 798 CB HIS A 51 -5.486 0.332 5.333 1.00 0.00 C ATOM 799 CG HIS A 51 -6.525 1.388 5.632 1.00 0.00 C ATOM 800 ND1 HIS A 51 -6.490 2.742 5.478 1.00 0.00 N flip ATOM 801 CD2 HIS A 51 -7.771 1.086 6.155 1.00 0.00 C flip ATOM 802 CE1 HIS A 51 -7.651 3.241 5.883 1.00 0.00 C flip ATOM 803 NE2 HIS A 51 -8.446 2.216 6.303 1.00 0.00 N flip ATOM 0 H HIS A 51 -6.898 -0.198 2.756 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.317 0.868 3.657 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.841 -0.629 5.706 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.574 0.569 5.880 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -8.131 0.098 6.400 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.922 4.287 5.880 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -9.395 2.304 6.667 1.00 0.00 H new ATOM 812 N VAL A 52 -3.742 -1.275 2.556 1.00 0.00 N ATOM 813 CA VAL A 52 -3.213 -2.550 2.103 1.00 0.00 C ATOM 814 C VAL A 52 -1.773 -2.705 2.597 1.00 0.00 C ATOM 815 O VAL A 52 -1.028 -1.729 2.663 1.00 0.00 O ATOM 816 CB VAL A 52 -3.338 -2.657 0.582 1.00 0.00 C ATOM 817 CG1 VAL A 52 -3.253 -1.278 -0.074 1.00 0.00 C ATOM 818 CG2 VAL A 52 -2.278 -3.604 0.011 1.00 0.00 C ATOM 0 H VAL A 52 -3.320 -0.458 2.115 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.791 -3.374 2.522 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.319 -3.075 0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.345 -1.383 -1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.060 -0.647 0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.294 -0.819 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.388 -3.663 -1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.285 -3.228 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.406 -4.596 0.443 1.00 0.00 H new ATOM 828 N ARG A 53 -1.425 -3.939 2.932 1.00 0.00 N ATOM 829 CA ARG A 53 -0.089 -4.233 3.419 1.00 0.00 C ATOM 830 C ARG A 53 0.864 -4.467 2.244 1.00 0.00 C ATOM 831 O ARG A 53 1.106 -5.608 1.854 1.00 0.00 O ATOM 832 CB ARG A 53 -0.090 -5.471 4.319 1.00 0.00 C ATOM 833 CG ARG A 53 -0.549 -6.710 3.546 1.00 0.00 C ATOM 834 CD ARG A 53 -1.494 -7.566 4.393 1.00 0.00 C ATOM 835 NE ARG A 53 -1.181 -9.000 4.208 1.00 0.00 N ATOM 836 CZ ARG A 53 -1.914 -10.000 4.716 1.00 0.00 C ATOM 837 NH1 ARG A 53 -3.005 -9.728 5.445 1.00 0.00 N ATOM 838 NH2 ARG A 53 -1.554 -11.272 4.497 1.00 0.00 N ATOM 0 H ARG A 53 -2.046 -4.746 2.876 1.00 0.00 H new ATOM 0 HA ARG A 53 0.248 -3.375 4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.911 -5.636 4.717 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.749 -5.305 5.171 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.053 -6.405 2.629 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.318 -7.301 3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.397 -7.297 5.445 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.528 -7.371 4.108 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.356 -9.243 3.660 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.278 -8.760 5.613 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.563 -10.489 5.832 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.722 -11.479 3.944 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.112 -12.034 4.884 1.00 0.00 H new ATOM 852 N VAL A 54 1.379 -3.367 1.715 1.00 0.00 N ATOM 853 CA VAL A 54 2.300 -3.437 0.593 1.00 0.00 C ATOM 854 C VAL A 54 3.699 -3.779 1.108 1.00 0.00 C ATOM 855 O VAL A 54 4.100 -3.319 2.176 1.00 0.00 O ATOM 856 CB VAL A 54 2.257 -2.130 -0.202 1.00 0.00 C ATOM 857 CG1 VAL A 54 2.421 -0.922 0.722 1.00 0.00 C ATOM 858 CG2 VAL A 54 3.317 -2.125 -1.305 1.00 0.00 C ATOM 0 H VAL A 54 1.176 -2.422 2.042 1.00 0.00 H new ATOM 0 HA VAL A 54 2.005 -4.229 -0.095 1.00 0.00 H new ATOM 0 HB VAL A 54 1.279 -2.058 -0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.387 -0.006 0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.614 -0.912 1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.379 -0.986 1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.265 -1.185 -1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.306 -2.231 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.136 -2.955 -1.988 1.00 0.00 H new ATOM 868 N PRO A 55 4.423 -4.603 0.304 1.00 0.00 N ATOM 869 CA PRO A 55 5.769 -5.011 0.667 1.00 0.00 C ATOM 870 C PRO A 55 6.765 -3.870 0.451 1.00 0.00 C ATOM 871 O PRO A 55 6.832 -3.297 -0.635 1.00 0.00 O ATOM 872 CB PRO A 55 6.059 -6.224 -0.200 1.00 0.00 C ATOM 873 CG PRO A 55 5.057 -6.172 -1.342 1.00 0.00 C ATOM 874 CD PRO A 55 3.980 -5.166 -0.969 1.00 0.00 C ATOM 0 HA PRO A 55 5.862 -5.262 1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.082 -6.199 -0.577 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.952 -7.146 0.371 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.549 -5.879 -2.269 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.619 -7.156 -1.511 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.880 -4.393 -1.731 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.006 -5.646 -0.872 1.00 0.00 H new ATOM 882 N PHE A 56 7.513 -3.574 1.504 1.00 0.00 N ATOM 883 CA PHE A 56 8.503 -2.511 1.444 1.00 0.00 C ATOM 884 C PHE A 56 9.207 -2.494 0.085 1.00 0.00 C ATOM 885 O PHE A 56 9.609 -1.436 -0.396 1.00 0.00 O ATOM 886 CB PHE A 56 9.534 -2.798 2.536 1.00 0.00 C ATOM 887 CG PHE A 56 10.220 -1.547 3.089 1.00 0.00 C ATOM 888 CD1 PHE A 56 9.605 -0.801 4.047 1.00 0.00 C ATOM 889 CD2 PHE A 56 11.444 -1.181 2.623 1.00 0.00 C ATOM 890 CE1 PHE A 56 10.241 0.361 4.559 1.00 0.00 C ATOM 891 CE2 PHE A 56 12.080 -0.019 3.137 1.00 0.00 C ATOM 892 CZ PHE A 56 11.465 0.727 4.093 1.00 0.00 C ATOM 0 H PHE A 56 7.454 -4.051 2.403 1.00 0.00 H new ATOM 0 HA PHE A 56 8.020 -1.544 1.585 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.043 -3.323 3.356 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.294 -3.470 2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.633 -1.093 4.418 1.00 0.00 H new ATOM 0 HD2 PHE A 56 11.932 -1.773 1.863 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.753 0.954 5.318 1.00 0.00 H new ATOM 0 HE2 PHE A 56 13.052 0.272 2.768 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.949 1.611 4.482 1.00 0.00 H new ATOM 902 N VAL A 57 9.334 -3.679 -0.494 1.00 0.00 N ATOM 903 CA VAL A 57 9.983 -3.814 -1.787 1.00 0.00 C ATOM 904 C VAL A 57 9.134 -3.119 -2.853 1.00 0.00 C ATOM 905 O VAL A 57 9.643 -2.308 -3.626 1.00 0.00 O ATOM 906 CB VAL A 57 10.236 -5.291 -2.094 1.00 0.00 C ATOM 907 CG1 VAL A 57 9.053 -5.906 -2.844 1.00 0.00 C ATOM 908 CG2 VAL A 57 11.537 -5.473 -2.878 1.00 0.00 C ATOM 0 H VAL A 57 8.999 -4.554 -0.092 1.00 0.00 H new ATOM 0 HA VAL A 57 10.958 -3.326 -1.778 1.00 0.00 H new ATOM 0 HB VAL A 57 10.340 -5.817 -1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.259 -6.956 -3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.154 -5.825 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.902 -5.375 -3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.693 -6.532 -3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.474 -4.926 -3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.372 -5.090 -2.291 1.00 0.00 H new ATOM 918 N ASN A 58 7.854 -3.461 -2.861 1.00 0.00 N ATOM 919 CA ASN A 58 6.930 -2.880 -3.820 1.00 0.00 C ATOM 920 C ASN A 58 6.517 -1.486 -3.343 1.00 0.00 C ATOM 921 O ASN A 58 6.138 -0.638 -4.149 1.00 0.00 O ATOM 922 CB ASN A 58 5.664 -3.730 -3.949 1.00 0.00 C ATOM 923 CG ASN A 58 4.946 -3.447 -5.271 1.00 0.00 C ATOM 924 OD1 ASN A 58 3.622 -3.390 -5.165 1.00 0.00 O flip ATOM 925 ND2 ASN A 58 5.554 -3.292 -6.316 1.00 0.00 N flip ATOM 0 H ASN A 58 7.435 -4.133 -2.218 1.00 0.00 H new ATOM 0 HA ASN A 58 7.432 -2.832 -4.786 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.924 -4.787 -3.891 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.994 -3.520 -3.115 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.572 -3.349 -6.327 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.044 -3.106 -7.180 1.00 0.00 H new ATOM 932 N VAL A 59 6.604 -1.292 -2.036 1.00 0.00 N ATOM 933 CA VAL A 59 6.245 -0.016 -1.442 1.00 0.00 C ATOM 934 C VAL A 59 6.744 1.118 -2.340 1.00 0.00 C ATOM 935 O VAL A 59 6.023 2.083 -2.587 1.00 0.00 O ATOM 936 CB VAL A 59 6.787 0.070 -0.015 1.00 0.00 C ATOM 937 CG1 VAL A 59 7.004 1.525 0.404 1.00 0.00 C ATOM 938 CG2 VAL A 59 5.862 -0.652 0.968 1.00 0.00 C ATOM 0 H VAL A 59 6.918 -1.998 -1.371 1.00 0.00 H new ATOM 0 HA VAL A 59 5.162 0.079 -1.369 1.00 0.00 H new ATOM 0 HB VAL A 59 7.755 -0.431 0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.390 1.557 1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.720 1.995 -0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.057 2.062 0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.271 -0.576 1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.874 -0.193 0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.782 -1.702 0.688 1.00 0.00 H new ATOM 948 N GLN A 60 7.976 0.963 -2.804 1.00 0.00 N ATOM 949 CA GLN A 60 8.581 1.962 -3.669 1.00 0.00 C ATOM 950 C GLN A 60 7.783 2.090 -4.969 1.00 0.00 C ATOM 951 O GLN A 60 7.122 3.102 -5.199 1.00 0.00 O ATOM 952 CB GLN A 60 10.045 1.625 -3.956 1.00 0.00 C ATOM 953 CG GLN A 60 10.830 2.879 -4.344 1.00 0.00 C ATOM 954 CD GLN A 60 12.042 3.074 -3.431 1.00 0.00 C ATOM 955 OE1 GLN A 60 13.041 2.379 -3.526 1.00 0.00 O ATOM 956 NE2 GLN A 60 11.899 4.052 -2.543 1.00 0.00 N ATOM 0 H GLN A 60 8.571 0.161 -2.597 1.00 0.00 H new ATOM 0 HA GLN A 60 8.558 2.922 -3.154 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.496 1.167 -3.076 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.102 0.892 -4.761 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.160 2.799 -5.380 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.180 3.752 -4.283 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.036 4.596 -2.517 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.652 4.259 -1.887 1.00 0.00 H new ATOM 965 N ALA A 61 7.873 1.051 -5.786 1.00 0.00 N ATOM 966 CA ALA A 61 7.168 1.035 -7.056 1.00 0.00 C ATOM 967 C ALA A 61 5.728 1.504 -6.842 1.00 0.00 C ATOM 968 O ALA A 61 5.129 2.109 -7.731 1.00 0.00 O ATOM 969 CB ALA A 61 7.241 -0.367 -7.663 1.00 0.00 C ATOM 0 H ALA A 61 8.423 0.214 -5.593 1.00 0.00 H new ATOM 0 HA ALA A 61 7.636 1.721 -7.763 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.712 -0.379 -8.616 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.284 -0.640 -7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.779 -1.083 -6.983 1.00 0.00 H new ATOM 975 N VAL A 62 5.212 1.208 -5.659 1.00 0.00 N ATOM 976 CA VAL A 62 3.854 1.592 -5.315 1.00 0.00 C ATOM 977 C VAL A 62 3.819 3.084 -4.980 1.00 0.00 C ATOM 978 O VAL A 62 2.889 3.790 -5.366 1.00 0.00 O ATOM 979 CB VAL A 62 3.332 0.711 -4.179 1.00 0.00 C ATOM 980 CG1 VAL A 62 1.918 1.126 -3.768 1.00 0.00 C ATOM 981 CG2 VAL A 62 3.378 -0.769 -4.566 1.00 0.00 C ATOM 0 H VAL A 62 5.711 0.706 -4.925 1.00 0.00 H new ATOM 0 HA VAL A 62 3.187 1.434 -6.162 1.00 0.00 H new ATOM 0 HB VAL A 62 3.986 0.853 -3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.571 0.483 -2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.927 2.162 -3.430 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.247 1.028 -4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.001 -1.373 -3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.759 -0.934 -5.448 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.406 -1.056 -4.786 1.00 0.00 H new ATOM 991 N LYS A 63 4.845 3.521 -4.264 1.00 0.00 N ATOM 992 CA LYS A 63 4.944 4.916 -3.871 1.00 0.00 C ATOM 993 C LYS A 63 5.017 5.789 -5.125 1.00 0.00 C ATOM 994 O LYS A 63 4.514 6.913 -5.134 1.00 0.00 O ATOM 995 CB LYS A 63 6.116 5.121 -2.910 1.00 0.00 C ATOM 996 CG LYS A 63 6.697 6.530 -3.045 1.00 0.00 C ATOM 997 CD LYS A 63 7.562 6.885 -1.835 1.00 0.00 C ATOM 998 CE LYS A 63 6.702 7.391 -0.675 1.00 0.00 C ATOM 999 NZ LYS A 63 7.329 8.573 -0.042 1.00 0.00 N ATOM 0 H LYS A 63 5.615 2.933 -3.946 1.00 0.00 H new ATOM 0 HA LYS A 63 4.054 5.221 -3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.783 4.958 -1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.892 4.383 -3.114 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.294 6.595 -3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.887 7.253 -3.142 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.127 6.009 -1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.288 7.649 -2.114 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.707 7.650 -1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.575 6.600 0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.733 8.904 0.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.268 8.315 0.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.427 9.332 -0.746 1.00 0.00 H new ATOM 1013 N VAL A 64 5.646 5.242 -6.154 1.00 0.00 N ATOM 1014 CA VAL A 64 5.792 5.957 -7.410 1.00 0.00 C ATOM 1015 C VAL A 64 4.462 5.928 -8.166 1.00 0.00 C ATOM 1016 O VAL A 64 4.120 6.880 -8.865 1.00 0.00 O ATOM 1017 CB VAL A 64 6.951 5.368 -8.217 1.00 0.00 C ATOM 1018 CG1 VAL A 64 6.846 5.757 -9.693 1.00 0.00 C ATOM 1019 CG2 VAL A 64 8.299 5.795 -7.632 1.00 0.00 C ATOM 0 H VAL A 64 6.061 4.310 -6.144 1.00 0.00 H new ATOM 0 HA VAL A 64 6.040 7.003 -7.227 1.00 0.00 H new ATOM 0 HB VAL A 64 6.886 4.282 -8.152 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.682 5.325 -10.243 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.909 5.381 -10.103 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.872 6.843 -9.786 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.106 5.363 -8.224 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.376 6.882 -7.652 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.376 5.445 -6.603 1.00 0.00 H new ATOM 1029 N PHE A 65 3.748 4.823 -8.000 1.00 0.00 N ATOM 1030 CA PHE A 65 2.464 4.657 -8.658 1.00 0.00 C ATOM 1031 C PHE A 65 1.453 5.689 -8.155 1.00 0.00 C ATOM 1032 O PHE A 65 0.889 6.447 -8.943 1.00 0.00 O ATOM 1033 CB PHE A 65 1.960 3.255 -8.308 1.00 0.00 C ATOM 1034 CG PHE A 65 0.782 2.786 -9.164 1.00 0.00 C ATOM 1035 CD1 PHE A 65 0.901 2.742 -10.518 1.00 0.00 C ATOM 1036 CD2 PHE A 65 -0.382 2.412 -8.571 1.00 0.00 C ATOM 1037 CE1 PHE A 65 -0.193 2.306 -11.312 1.00 0.00 C ATOM 1038 CE2 PHE A 65 -1.476 1.976 -9.366 1.00 0.00 C ATOM 1039 CZ PHE A 65 -1.358 1.932 -10.719 1.00 0.00 C ATOM 0 H PHE A 65 4.035 4.035 -7.419 1.00 0.00 H new ATOM 0 HA PHE A 65 2.577 4.792 -9.734 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.781 2.547 -8.419 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.663 3.238 -7.259 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.827 3.038 -10.989 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.476 2.446 -7.496 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.099 2.272 -12.387 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.401 1.680 -8.895 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.189 1.600 -11.323 1.00 0.00 H new ATOM 1049 N LEU A 66 1.253 5.686 -6.845 1.00 0.00 N ATOM 1050 CA LEU A 66 0.320 6.613 -6.227 1.00 0.00 C ATOM 1051 C LEU A 66 0.548 8.015 -6.796 1.00 0.00 C ATOM 1052 O LEU A 66 -0.377 8.634 -7.319 1.00 0.00 O ATOM 1053 CB LEU A 66 0.425 6.543 -4.703 1.00 0.00 C ATOM 1054 CG LEU A 66 -0.231 5.330 -4.040 1.00 0.00 C ATOM 1055 CD1 LEU A 66 0.696 4.711 -2.991 1.00 0.00 C ATOM 1056 CD2 LEU A 66 -1.595 5.697 -3.454 1.00 0.00 C ATOM 0 H LEU A 66 1.722 5.056 -6.194 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.707 6.335 -6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.480 6.554 -4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.022 7.446 -4.286 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.403 4.573 -4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.206 3.851 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.622 4.390 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.921 5.450 -2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.040 4.817 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.471 6.480 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.248 6.056 -4.249 1.00 0.00 H new ATOM 1068 N GLU A 67 1.786 8.473 -6.676 1.00 0.00 N ATOM 1069 CA GLU A 67 2.147 9.791 -7.172 1.00 0.00 C ATOM 1070 C GLU A 67 1.823 9.903 -8.663 1.00 0.00 C ATOM 1071 O GLU A 67 1.247 10.897 -9.103 1.00 0.00 O ATOM 1072 CB GLU A 67 3.624 10.090 -6.907 1.00 0.00 C ATOM 1073 CG GLU A 67 3.810 10.777 -5.552 1.00 0.00 C ATOM 1074 CD GLU A 67 4.124 12.264 -5.731 1.00 0.00 C ATOM 1075 OE1 GLU A 67 3.407 12.904 -6.530 1.00 0.00 O ATOM 1076 OE2 GLU A 67 5.076 12.726 -5.064 1.00 0.00 O ATOM 0 H GLU A 67 2.551 7.956 -6.243 1.00 0.00 H new ATOM 0 HA GLU A 67 1.558 10.535 -6.635 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.196 9.163 -6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.018 10.727 -7.699 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.906 10.662 -4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.619 10.294 -5.003 1.00 0.00 H new ATOM 1083 N SER A 68 2.210 8.872 -9.399 1.00 0.00 N ATOM 1084 CA SER A 68 1.968 8.843 -10.832 1.00 0.00 C ATOM 1085 C SER A 68 0.481 9.060 -11.116 1.00 0.00 C ATOM 1086 O SER A 68 0.123 9.801 -12.030 1.00 0.00 O ATOM 1087 CB SER A 68 2.437 7.521 -11.443 1.00 0.00 C ATOM 1088 OG SER A 68 1.408 6.535 -11.438 1.00 0.00 O ATOM 0 H SER A 68 2.689 8.051 -9.030 1.00 0.00 H new ATOM 0 HA SER A 68 2.541 9.648 -11.292 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.769 7.693 -12.467 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.298 7.150 -10.886 1.00 0.00 H new ATOM 0 HG SER A 68 1.233 6.249 -10.517 1.00 0.00 H new ATOM 1094 N GLN A 69 -0.345 8.403 -10.315 1.00 0.00 N ATOM 1095 CA GLN A 69 -1.786 8.515 -10.470 1.00 0.00 C ATOM 1096 C GLN A 69 -2.296 9.781 -9.779 1.00 0.00 C ATOM 1097 O GLN A 69 -3.500 9.950 -9.597 1.00 0.00 O ATOM 1098 CB GLN A 69 -2.493 7.272 -9.929 1.00 0.00 C ATOM 1099 CG GLN A 69 -2.192 7.072 -8.442 1.00 0.00 C ATOM 1100 CD GLN A 69 -3.042 5.942 -7.857 1.00 0.00 C ATOM 1101 OE1 GLN A 69 -4.253 6.038 -7.739 1.00 0.00 O ATOM 1102 NE2 GLN A 69 -2.343 4.868 -7.500 1.00 0.00 N ATOM 0 H GLN A 69 -0.044 7.791 -9.556 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.014 8.588 -11.533 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.569 7.369 -10.076 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.172 6.394 -10.490 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.135 6.843 -8.309 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.388 7.997 -7.900 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.331 4.853 -7.626 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.819 4.059 -7.100 1.00 0.00 H new ATOM 1111 N GLY A 70 -1.354 10.637 -9.412 1.00 0.00 N ATOM 1112 CA GLY A 70 -1.693 11.883 -8.744 1.00 0.00 C ATOM 1113 C GLY A 70 -2.710 11.646 -7.626 1.00 0.00 C ATOM 1114 O GLY A 70 -3.759 12.288 -7.590 1.00 0.00 O ATOM 0 H GLY A 70 -0.356 10.493 -9.564 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.791 12.335 -8.331 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.101 12.589 -9.468 1.00 0.00 H new ATOM 1118 N ILE A 71 -2.364 10.724 -6.741 1.00 0.00 N ATOM 1119 CA ILE A 71 -3.234 10.394 -5.624 1.00 0.00 C ATOM 1120 C ILE A 71 -2.593 10.882 -4.323 1.00 0.00 C ATOM 1121 O ILE A 71 -1.470 11.383 -4.330 1.00 0.00 O ATOM 1122 CB ILE A 71 -3.565 8.901 -5.626 1.00 0.00 C ATOM 1123 CG1 ILE A 71 -4.788 8.609 -4.754 1.00 0.00 C ATOM 1124 CG2 ILE A 71 -2.350 8.070 -5.205 1.00 0.00 C ATOM 1125 CD1 ILE A 71 -5.551 7.388 -5.270 1.00 0.00 C ATOM 0 H ILE A 71 -1.493 10.194 -6.774 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.190 10.908 -5.720 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.819 8.609 -6.645 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.472 8.437 -3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.447 9.477 -4.744 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.612 7.012 -5.215 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.529 8.247 -5.900 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.042 8.359 -4.200 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.415 7.203 -4.632 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.886 7.573 -6.291 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.896 6.517 -5.256 1.00 0.00 H new ATOM 1137 N ALA A 72 -3.335 10.717 -3.238 1.00 0.00 N ATOM 1138 CA ALA A 72 -2.853 11.133 -1.932 1.00 0.00 C ATOM 1139 C ALA A 72 -2.938 9.954 -0.962 1.00 0.00 C ATOM 1140 O ALA A 72 -4.022 9.424 -0.717 1.00 0.00 O ATOM 1141 CB ALA A 72 -3.659 12.343 -1.452 1.00 0.00 C ATOM 0 H ALA A 72 -4.266 10.301 -3.236 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.808 11.438 -1.988 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.298 12.655 -0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.541 13.163 -2.161 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.713 12.073 -1.381 1.00 0.00 H new ATOM 1147 N TYR A 73 -1.782 9.578 -0.434 1.00 0.00 N ATOM 1148 CA TYR A 73 -1.713 8.471 0.505 1.00 0.00 C ATOM 1149 C TYR A 73 -0.879 8.845 1.732 1.00 0.00 C ATOM 1150 O TYR A 73 -0.541 10.011 1.926 1.00 0.00 O ATOM 1151 CB TYR A 73 -1.019 7.330 -0.241 1.00 0.00 C ATOM 1152 CG TYR A 73 0.190 7.771 -1.068 1.00 0.00 C ATOM 1153 CD1 TYR A 73 0.012 8.566 -2.182 1.00 0.00 C ATOM 1154 CD2 TYR A 73 1.460 7.373 -0.701 1.00 0.00 C ATOM 1155 CE1 TYR A 73 1.150 8.981 -2.960 1.00 0.00 C ATOM 1156 CE2 TYR A 73 2.597 7.788 -1.479 1.00 0.00 C ATOM 1157 CZ TYR A 73 2.387 8.572 -2.570 1.00 0.00 C ATOM 1158 OH TYR A 73 3.462 8.964 -3.305 1.00 0.00 O ATOM 0 H TYR A 73 -0.886 10.020 -0.639 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.709 8.198 0.853 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.698 6.580 0.482 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.741 6.849 -0.900 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.981 8.877 -2.470 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.600 6.750 0.170 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.024 9.603 -3.834 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.596 7.483 -1.202 1.00 0.00 H new ATOM 0 HH TYR A 73 3.739 8.232 -3.895 1.00 0.00 H new ATOM 1168 N SER A 74 -0.571 7.831 2.528 1.00 0.00 N ATOM 1169 CA SER A 74 0.217 8.039 3.732 1.00 0.00 C ATOM 1170 C SER A 74 0.645 6.691 4.315 1.00 0.00 C ATOM 1171 O SER A 74 0.140 5.646 3.908 1.00 0.00 O ATOM 1172 CB SER A 74 -0.567 8.842 4.771 1.00 0.00 C ATOM 1173 OG SER A 74 -0.355 10.245 4.632 1.00 0.00 O ATOM 0 H SER A 74 -0.852 6.864 2.363 1.00 0.00 H new ATOM 0 HA SER A 74 1.106 8.611 3.466 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.630 8.624 4.671 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.270 8.528 5.772 1.00 0.00 H new ATOM 0 HG SER A 74 -0.368 10.485 3.682 1.00 0.00 H new ATOM 1179 N ILE A 75 1.571 6.758 5.261 1.00 0.00 N ATOM 1180 CA ILE A 75 2.073 5.557 5.904 1.00 0.00 C ATOM 1181 C ILE A 75 1.370 5.374 7.251 1.00 0.00 C ATOM 1182 O ILE A 75 1.265 6.316 8.034 1.00 0.00 O ATOM 1183 CB ILE A 75 3.598 5.601 6.008 1.00 0.00 C ATOM 1184 CG1 ILE A 75 4.244 5.529 4.623 1.00 0.00 C ATOM 1185 CG2 ILE A 75 4.117 4.504 6.940 1.00 0.00 C ATOM 1186 CD1 ILE A 75 4.021 6.828 3.845 1.00 0.00 C ATOM 0 H ILE A 75 1.986 7.627 5.597 1.00 0.00 H new ATOM 0 HA ILE A 75 1.844 4.678 5.301 1.00 0.00 H new ATOM 0 HB ILE A 75 3.882 6.557 6.447 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.313 5.342 4.726 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.825 4.691 4.066 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.204 4.558 6.996 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.695 4.643 7.935 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.822 3.529 6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.490 6.750 2.864 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.952 7.000 3.723 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.462 7.661 4.393 1.00 0.00 H new ATOM 1198 N MET A 76 0.906 4.153 7.479 1.00 0.00 N ATOM 1199 CA MET A 76 0.217 3.834 8.718 1.00 0.00 C ATOM 1200 C MET A 76 1.175 3.208 9.734 1.00 0.00 C ATOM 1201 O MET A 76 1.284 3.683 10.863 1.00 0.00 O ATOM 1202 CB MET A 76 -0.927 2.861 8.429 1.00 0.00 C ATOM 1203 CG MET A 76 -2.068 3.041 9.433 1.00 0.00 C ATOM 1204 SD MET A 76 -3.092 4.422 8.952 1.00 0.00 S ATOM 1205 CE MET A 76 -3.645 4.972 10.557 1.00 0.00 C ATOM 0 H MET A 76 0.994 3.374 6.827 1.00 0.00 H new ATOM 0 HA MET A 76 -0.177 4.758 9.141 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.299 3.022 7.417 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.557 1.836 8.473 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.668 2.132 9.481 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.662 3.208 10.431 1.00 0.00 H new ATOM 0 HE1 MET A 76 -4.300 5.835 10.440 1.00 0.00 H new ATOM 0 HE2 MET A 76 -4.190 4.167 11.050 1.00 0.00 H new ATOM 0 HE3 MET A 76 -2.783 5.250 11.163 1.00 0.00 H new ATOM 1215 N ILE A 77 1.845 2.153 9.294 1.00 0.00 N ATOM 1216 CA ILE A 77 2.790 1.458 10.152 1.00 0.00 C ATOM 1217 C ILE A 77 4.075 1.181 9.368 1.00 0.00 C ATOM 1218 O ILE A 77 4.024 0.819 8.194 1.00 0.00 O ATOM 1219 CB ILE A 77 2.150 0.201 10.746 1.00 0.00 C ATOM 1220 CG1 ILE A 77 3.081 -0.457 11.768 1.00 0.00 C ATOM 1221 CG2 ILE A 77 1.728 -0.773 9.645 1.00 0.00 C ATOM 1222 CD1 ILE A 77 3.506 0.543 12.845 1.00 0.00 C ATOM 0 H ILE A 77 1.753 1.763 8.356 1.00 0.00 H new ATOM 0 HA ILE A 77 3.063 2.082 11.003 1.00 0.00 H new ATOM 0 HB ILE A 77 1.245 0.497 11.277 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.577 -1.304 12.232 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.963 -0.849 11.262 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.276 -1.657 10.095 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.004 -0.289 8.989 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.603 -1.068 9.065 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.167 0.050 13.558 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.031 1.377 12.380 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.623 0.915 13.365 1.00 0.00 H new ATOM 1234 N GLU A 78 5.197 1.364 10.049 1.00 0.00 N ATOM 1235 CA GLU A 78 6.492 1.139 9.432 1.00 0.00 C ATOM 1236 C GLU A 78 7.419 0.399 10.397 1.00 0.00 C ATOM 1237 O GLU A 78 6.972 -0.458 11.158 1.00 0.00 O ATOM 1238 CB GLU A 78 7.118 2.459 8.975 1.00 0.00 C ATOM 1239 CG GLU A 78 8.014 2.247 7.753 1.00 0.00 C ATOM 1240 CD GLU A 78 9.360 2.952 7.930 1.00 0.00 C ATOM 1241 OE1 GLU A 78 9.784 3.080 9.099 1.00 0.00 O ATOM 1242 OE2 GLU A 78 9.935 3.346 6.893 1.00 0.00 O ATOM 0 H GLU A 78 5.235 1.666 11.023 1.00 0.00 H new ATOM 0 HA GLU A 78 6.348 0.517 8.549 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.332 3.174 8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.702 2.889 9.788 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.176 1.180 7.597 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.515 2.627 6.862 1.00 0.00 H new