USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 548 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 24 SER OG : rot -3:sc= 0.494 USER MOD Set 1.2: A 25 LYS NZ :NH3+ -126:sc= 1.07 (180deg=-0.00132) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 20 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.19) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0.318 K(o=0.32,f=-0.2) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.47) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.261 K(o=-0.26,f=-1) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.0549 USER MOD Single : A 48 SER OG : rot 93:sc= 0.121 USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 55 ASN : amide:sc= 0.364 K(o=0.36,f=-6.6!) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 60 LYS NZ :NH3+ -165:sc= 2.53 (180deg=2.45) USER MOD Single : A 68 LYS NZ :NH3+ 153:sc= 0.197 (180deg=0.0643) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 13 -9.168 2.186 -10.185 1.00 0.00 N ATOM 152 CA GLU A 13 -7.841 2.794 -10.064 1.00 0.00 C ATOM 153 C GLU A 13 -7.196 2.463 -8.717 1.00 0.00 C ATOM 154 O GLU A 13 -5.979 2.329 -8.650 1.00 0.00 O ATOM 155 CB GLU A 13 -7.853 4.313 -10.282 1.00 0.00 C ATOM 156 CG GLU A 13 -8.830 5.106 -9.398 1.00 0.00 C ATOM 157 CD GLU A 13 -9.936 5.712 -10.251 1.00 0.00 C ATOM 158 OE1 GLU A 13 -10.800 4.957 -10.743 1.00 0.00 O ATOM 159 OE2 GLU A 13 -9.913 6.945 -10.486 1.00 0.00 O ATOM 0 HA GLU A 13 -7.242 2.358 -10.863 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.846 4.694 -10.111 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.095 4.510 -11.326 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.262 4.451 -8.642 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.295 5.895 -8.869 1.00 0.00 H new ATOM 166 N VAL A 14 -7.997 2.276 -7.667 1.00 0.00 N ATOM 167 CA VAL A 14 -7.547 1.801 -6.370 1.00 0.00 C ATOM 168 C VAL A 14 -6.878 0.441 -6.558 1.00 0.00 C ATOM 169 O VAL A 14 -5.679 0.342 -6.321 1.00 0.00 O ATOM 170 CB VAL A 14 -8.736 1.845 -5.387 1.00 0.00 C ATOM 171 CG1 VAL A 14 -8.531 1.106 -4.066 1.00 0.00 C ATOM 172 CG2 VAL A 14 -8.980 3.309 -5.007 1.00 0.00 C ATOM 0 H VAL A 14 -9.000 2.457 -7.702 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.784 2.436 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.557 1.357 -5.911 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.427 1.202 -3.453 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.338 0.052 -4.265 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.681 1.536 -3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.817 3.370 -4.311 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.086 3.716 -4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.211 3.884 -5.904 1.00 0.00 H new ATOM 182 N GLY A 15 -7.595 -0.583 -7.031 1.00 0.00 N ATOM 183 CA GLY A 15 -7.031 -1.911 -7.252 1.00 0.00 C ATOM 184 C GLY A 15 -5.778 -1.862 -8.128 1.00 0.00 C ATOM 185 O GLY A 15 -4.793 -2.536 -7.826 1.00 0.00 O ATOM 0 H GLY A 15 -8.584 -0.511 -7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.785 -2.365 -6.292 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.779 -2.549 -7.724 1.00 0.00 H new ATOM 189 N LYS A 16 -5.771 -1.025 -9.171 1.00 0.00 N ATOM 190 CA LYS A 16 -4.615 -0.846 -10.041 1.00 0.00 C ATOM 191 C LYS A 16 -3.410 -0.310 -9.261 1.00 0.00 C ATOM 192 O LYS A 16 -2.353 -0.942 -9.268 1.00 0.00 O ATOM 193 CB LYS A 16 -4.998 0.062 -11.223 1.00 0.00 C ATOM 194 CG LYS A 16 -3.888 0.145 -12.279 1.00 0.00 C ATOM 195 CD LYS A 16 -3.782 -1.130 -13.125 1.00 0.00 C ATOM 196 CE LYS A 16 -2.564 -1.032 -14.047 1.00 0.00 C ATOM 197 NZ LYS A 16 -2.268 -2.305 -14.734 1.00 0.00 N ATOM 0 H LYS A 16 -6.573 -0.452 -9.432 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.312 -1.814 -10.441 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.910 -0.315 -11.687 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.219 1.063 -10.852 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.077 0.996 -12.933 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.934 0.329 -11.784 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.692 -2.002 -12.478 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.688 -1.264 -13.715 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.737 -0.254 -14.790 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.695 -0.728 -13.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.435 -2.184 -15.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.075 -3.044 -14.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.085 -2.585 -15.313 1.00 0.00 H new ATOM 211 N VAL A 17 -3.537 0.849 -8.611 1.00 0.00 N ATOM 212 CA VAL A 17 -2.456 1.488 -7.862 1.00 0.00 C ATOM 213 C VAL A 17 -1.983 0.561 -6.746 1.00 0.00 C ATOM 214 O VAL A 17 -0.778 0.519 -6.479 1.00 0.00 O ATOM 215 CB VAL A 17 -2.925 2.857 -7.314 1.00 0.00 C ATOM 216 CG1 VAL A 17 -1.933 3.476 -6.319 1.00 0.00 C ATOM 217 CG2 VAL A 17 -3.125 3.846 -8.475 1.00 0.00 C ATOM 0 H VAL A 17 -4.409 1.378 -8.591 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.610 1.673 -8.524 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.861 2.673 -6.787 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.318 4.434 -5.970 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.804 2.806 -5.469 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.972 3.628 -6.810 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.455 4.807 -8.081 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.183 3.976 -9.008 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.878 3.456 -9.159 1.00 0.00 H new ATOM 227 N ILE A 18 -2.898 -0.174 -6.113 1.00 0.00 N ATOM 228 CA ILE A 18 -2.585 -1.179 -5.117 1.00 0.00 C ATOM 229 C ILE A 18 -1.660 -2.208 -5.755 1.00 0.00 C ATOM 230 O ILE A 18 -0.518 -2.331 -5.312 1.00 0.00 O ATOM 231 CB ILE A 18 -3.876 -1.786 -4.522 1.00 0.00 C ATOM 232 CG1 ILE A 18 -4.588 -0.751 -3.630 1.00 0.00 C ATOM 233 CG2 ILE A 18 -3.505 -2.986 -3.664 1.00 0.00 C ATOM 234 CD1 ILE A 18 -6.034 -1.072 -3.233 1.00 0.00 C ATOM 0 H ILE A 18 -3.898 -0.079 -6.288 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.062 -0.738 -4.268 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.538 -2.082 -5.336 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.003 -0.626 -2.719 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.581 0.208 -4.147 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.409 -3.423 -3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.997 -3.730 -4.278 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.843 -2.667 -2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.426 -0.271 -2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.646 -1.163 -4.130 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.059 -2.011 -2.679 1.00 0.00 H new ATOM 246 N GLN A 19 -2.110 -2.917 -6.792 1.00 0.00 N ATOM 247 CA GLN A 19 -1.355 -3.987 -7.404 1.00 0.00 C ATOM 248 C GLN A 19 0.022 -3.505 -7.868 1.00 0.00 C ATOM 249 O GLN A 19 1.009 -4.224 -7.715 1.00 0.00 O ATOM 250 CB GLN A 19 -2.192 -4.566 -8.551 1.00 0.00 C ATOM 251 CG GLN A 19 -1.722 -5.961 -8.956 1.00 0.00 C ATOM 252 CD GLN A 19 -1.053 -5.951 -10.321 1.00 0.00 C ATOM 253 OE1 GLN A 19 0.144 -5.402 -10.395 1.00 0.00 O flip ATOM 254 NE2 GLN A 19 -1.592 -6.439 -11.315 1.00 0.00 N flip ATOM 0 H GLN A 19 -3.018 -2.755 -7.227 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.159 -4.774 -6.675 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.239 -4.610 -8.250 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.136 -3.900 -9.412 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.024 -6.341 -8.210 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.573 -6.642 -8.972 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.518 -6.859 -11.238 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -1.112 -6.423 -12.215 1.00 0.00 H new ATOM 263 N GLN A 20 0.105 -2.305 -8.442 1.00 0.00 N ATOM 264 CA GLN A 20 1.336 -1.648 -8.852 1.00 0.00 C ATOM 265 C GLN A 20 2.269 -1.374 -7.663 1.00 0.00 C ATOM 266 O GLN A 20 3.480 -1.587 -7.765 1.00 0.00 O ATOM 267 CB GLN A 20 0.954 -0.332 -9.550 1.00 0.00 C ATOM 268 CG GLN A 20 0.632 -0.486 -11.040 1.00 0.00 C ATOM 269 CD GLN A 20 1.786 -1.064 -11.860 1.00 0.00 C ATOM 270 OE1 GLN A 20 1.570 -1.912 -12.716 1.00 0.00 O ATOM 271 NE2 GLN A 20 3.029 -0.671 -11.642 1.00 0.00 N ATOM 0 H GLN A 20 -0.723 -1.743 -8.641 1.00 0.00 H new ATOM 0 HA GLN A 20 1.884 -2.303 -9.529 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.089 0.097 -9.045 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.774 0.378 -9.438 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.239 -1.131 -11.150 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.361 0.488 -11.447 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.224 0.035 -10.932 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.794 -1.074 -12.184 1.00 0.00 H new ATOM 280 N GLY A 21 1.726 -0.886 -6.548 1.00 0.00 N ATOM 281 CA GLY A 21 2.473 -0.505 -5.361 1.00 0.00 C ATOM 282 C GLY A 21 2.947 -1.713 -4.567 1.00 0.00 C ATOM 283 O GLY A 21 4.037 -1.690 -3.996 1.00 0.00 O ATOM 0 H GLY A 21 0.721 -0.742 -6.448 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.334 0.096 -5.653 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.847 0.122 -4.726 1.00 0.00 H new ATOM 287 N ARG A 22 2.170 -2.792 -4.561 1.00 0.00 N ATOM 288 CA ARG A 22 2.603 -4.066 -4.027 1.00 0.00 C ATOM 289 C ARG A 22 3.738 -4.630 -4.868 1.00 0.00 C ATOM 290 O ARG A 22 4.782 -4.994 -4.326 1.00 0.00 O ATOM 291 CB ARG A 22 1.409 -5.015 -3.954 1.00 0.00 C ATOM 292 CG ARG A 22 0.402 -4.578 -2.882 1.00 0.00 C ATOM 293 CD ARG A 22 -0.403 -5.725 -2.252 1.00 0.00 C ATOM 294 NE ARG A 22 -1.302 -6.406 -3.193 1.00 0.00 N ATOM 295 CZ ARG A 22 -1.016 -7.419 -4.012 1.00 0.00 C ATOM 296 NH1 ARG A 22 0.192 -7.975 -4.018 1.00 0.00 N ATOM 297 NH2 ARG A 22 -1.969 -7.878 -4.808 1.00 0.00 N ATOM 0 H ARG A 22 1.219 -2.801 -4.930 1.00 0.00 H new ATOM 0 HA ARG A 22 2.990 -3.936 -3.016 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.914 -5.053 -4.924 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.759 -6.024 -3.735 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.938 -4.052 -2.092 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.293 -3.865 -3.325 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.290 -6.455 -1.833 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.991 -5.331 -1.423 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.262 -6.062 -3.224 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.917 -7.627 -3.390 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.394 -8.749 -4.651 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.898 -7.458 -4.786 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.774 -8.652 -5.443 1.00 0.00 H new ATOM 311 N GLN A 23 3.582 -4.653 -6.193 1.00 0.00 N ATOM 312 CA GLN A 23 4.619 -5.066 -7.125 1.00 0.00 C ATOM 313 C GLN A 23 5.912 -4.270 -6.951 1.00 0.00 C ATOM 314 O GLN A 23 6.992 -4.824 -7.129 1.00 0.00 O ATOM 315 CB GLN A 23 4.078 -4.871 -8.544 1.00 0.00 C ATOM 316 CG GLN A 23 3.374 -6.121 -9.066 1.00 0.00 C ATOM 317 CD GLN A 23 4.375 -7.111 -9.652 1.00 0.00 C ATOM 318 OE1 GLN A 23 4.973 -6.853 -10.692 1.00 0.00 O ATOM 319 NE2 GLN A 23 4.584 -8.264 -9.045 1.00 0.00 N ATOM 0 H GLN A 23 2.713 -4.379 -6.651 1.00 0.00 H new ATOM 0 HA GLN A 23 4.866 -6.110 -6.932 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.382 -4.032 -8.554 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.899 -4.612 -9.212 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.821 -6.595 -8.256 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.646 -5.841 -9.828 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.089 -8.482 -8.180 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.241 -8.937 -9.440 1.00 0.00 H new ATOM 328 N SER A 24 5.823 -2.993 -6.590 1.00 0.00 N ATOM 329 CA SER A 24 6.972 -2.105 -6.426 1.00 0.00 C ATOM 330 C SER A 24 7.890 -2.569 -5.286 1.00 0.00 C ATOM 331 O SER A 24 9.042 -2.152 -5.220 1.00 0.00 O ATOM 332 CB SER A 24 6.424 -0.688 -6.198 1.00 0.00 C ATOM 333 OG SER A 24 7.371 0.249 -5.732 1.00 0.00 O ATOM 0 H SER A 24 4.931 -2.536 -6.399 1.00 0.00 H new ATOM 0 HA SER A 24 7.597 -2.119 -7.319 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.003 -0.322 -7.135 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.605 -0.742 -5.481 1.00 0.00 H new ATOM 0 HG SER A 24 8.229 -0.200 -5.582 1.00 0.00 H new ATOM 339 N LYS A 25 7.399 -3.407 -4.370 1.00 0.00 N ATOM 340 CA LYS A 25 8.121 -3.861 -3.183 1.00 0.00 C ATOM 341 C LYS A 25 8.046 -5.389 -3.050 1.00 0.00 C ATOM 342 O LYS A 25 8.467 -5.930 -2.029 1.00 0.00 O ATOM 343 CB LYS A 25 7.533 -3.112 -1.973 1.00 0.00 C ATOM 344 CG LYS A 25 7.964 -1.630 -1.916 1.00 0.00 C ATOM 345 CD LYS A 25 6.912 -0.694 -1.310 1.00 0.00 C ATOM 346 CE LYS A 25 6.092 0.009 -2.398 1.00 0.00 C ATOM 347 NZ LYS A 25 6.786 1.171 -2.998 1.00 0.00 N ATOM 0 H LYS A 25 6.460 -3.799 -4.437 1.00 0.00 H new ATOM 0 HA LYS A 25 9.185 -3.633 -3.252 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.445 -3.168 -2.011 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.845 -3.612 -1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.882 -1.552 -1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.197 -1.292 -2.926 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.246 -1.264 -0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.404 0.051 -0.685 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.854 -0.708 -3.184 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.145 0.341 -1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.176 2.011 -2.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.673 1.348 -2.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.998 0.971 -3.996 1.00 0.00 H new ATOM 361 N GLY A 26 7.498 -6.077 -4.057 1.00 0.00 N ATOM 362 CA GLY A 26 7.217 -7.503 -4.066 1.00 0.00 C ATOM 363 C GLY A 26 6.485 -7.976 -2.818 1.00 0.00 C ATOM 364 O GLY A 26 6.898 -8.970 -2.213 1.00 0.00 O ATOM 0 H GLY A 26 7.227 -5.624 -4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.618 -7.744 -4.944 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.154 -8.051 -4.160 1.00 0.00 H new ATOM 368 N LEU A 27 5.428 -7.263 -2.416 1.00 0.00 N ATOM 369 CA LEU A 27 4.681 -7.603 -1.205 1.00 0.00 C ATOM 370 C LEU A 27 3.396 -8.323 -1.593 1.00 0.00 C ATOM 371 O LEU A 27 2.547 -7.777 -2.302 1.00 0.00 O ATOM 372 CB LEU A 27 4.413 -6.353 -0.351 1.00 0.00 C ATOM 373 CG LEU A 27 5.715 -5.708 0.173 1.00 0.00 C ATOM 374 CD1 LEU A 27 5.453 -4.304 0.710 1.00 0.00 C ATOM 375 CD2 LEU A 27 6.402 -6.539 1.261 1.00 0.00 C ATOM 0 H LEU A 27 5.072 -6.447 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 27 5.276 -8.275 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.862 -5.623 -0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.779 -6.622 0.493 1.00 0.00 H new ATOM 0 HG LEU A 27 6.386 -5.661 -0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.386 -3.873 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.050 -3.679 -0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.735 -4.356 1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.310 -6.032 1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.728 -6.657 2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.658 -7.521 0.862 1.00 0.00 H new ATOM 387 N THR A 28 3.248 -9.559 -1.127 1.00 0.00 N ATOM 388 CA THR A 28 2.050 -10.352 -1.339 1.00 0.00 C ATOM 389 C THR A 28 0.883 -9.733 -0.560 1.00 0.00 C ATOM 390 O THR A 28 1.067 -8.874 0.308 1.00 0.00 O ATOM 391 CB THR A 28 2.327 -11.830 -1.014 1.00 0.00 C ATOM 392 OG1 THR A 28 1.257 -12.637 -1.443 1.00 0.00 O ATOM 393 CG2 THR A 28 2.479 -12.052 0.478 1.00 0.00 C ATOM 0 H THR A 28 3.966 -10.040 -0.586 1.00 0.00 H new ATOM 0 HA THR A 28 1.754 -10.339 -2.388 1.00 0.00 H new ATOM 0 HB THR A 28 3.251 -12.095 -1.529 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.449 -13.574 -1.231 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.674 -13.107 0.671 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.311 -11.455 0.852 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.562 -11.754 0.986 1.00 0.00 H new ATOM 401 N GLN A 29 -0.328 -10.212 -0.825 1.00 0.00 N ATOM 402 CA GLN A 29 -1.535 -9.756 -0.151 1.00 0.00 C ATOM 403 C GLN A 29 -1.464 -10.110 1.341 1.00 0.00 C ATOM 404 O GLN A 29 -1.828 -9.291 2.180 1.00 0.00 O ATOM 405 CB GLN A 29 -2.758 -10.326 -0.892 1.00 0.00 C ATOM 406 CG GLN A 29 -2.784 -9.747 -2.319 1.00 0.00 C ATOM 407 CD GLN A 29 -3.882 -10.280 -3.236 1.00 0.00 C ATOM 408 OE1 GLN A 29 -3.990 -11.481 -3.463 1.00 0.00 O ATOM 409 NE2 GLN A 29 -4.650 -9.399 -3.847 1.00 0.00 N ATOM 0 H GLN A 29 -0.499 -10.936 -1.522 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.631 -8.671 -0.184 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.706 -11.414 -0.927 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.675 -10.068 -0.362 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.890 -8.664 -2.249 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.820 -9.943 -2.787 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.546 -8.405 -3.645 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.348 -9.712 -4.521 1.00 0.00 H new ATOM 418 N LYS A 30 -0.896 -11.267 1.700 1.00 0.00 N ATOM 419 CA LYS A 30 -0.527 -11.611 3.075 1.00 0.00 C ATOM 420 C LYS A 30 0.433 -10.616 3.711 1.00 0.00 C ATOM 421 O LYS A 30 0.247 -10.303 4.885 1.00 0.00 O ATOM 422 CB LYS A 30 0.023 -13.049 3.155 1.00 0.00 C ATOM 423 CG LYS A 30 -0.886 -13.951 4.005 1.00 0.00 C ATOM 424 CD LYS A 30 -0.191 -15.283 4.298 1.00 0.00 C ATOM 425 CE LYS A 30 -1.132 -16.211 5.077 1.00 0.00 C ATOM 426 NZ LYS A 30 -0.817 -17.632 4.839 1.00 0.00 N ATOM 0 H LYS A 30 -0.676 -12.003 1.029 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.445 -11.556 3.660 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.112 -13.463 2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.025 -13.033 3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.135 -13.450 4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.824 -14.131 3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.109 -15.758 3.364 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.718 -15.108 4.873 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.056 -15.995 6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.163 -16.013 4.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.473 -18.229 5.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.914 -17.844 3.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.159 -17.827 5.142 1.00 0.00 H new ATOM 440 N ASP A 31 1.474 -10.178 3.012 1.00 0.00 N ATOM 441 CA ASP A 31 2.474 -9.283 3.597 1.00 0.00 C ATOM 442 C ASP A 31 1.801 -7.947 3.907 1.00 0.00 C ATOM 443 O ASP A 31 1.938 -7.408 5.005 1.00 0.00 O ATOM 444 CB ASP A 31 3.688 -9.120 2.662 1.00 0.00 C ATOM 445 CG ASP A 31 4.774 -10.169 2.933 1.00 0.00 C ATOM 446 OD1 ASP A 31 4.457 -11.329 3.292 1.00 0.00 O ATOM 447 OD2 ASP A 31 5.968 -9.833 2.818 1.00 0.00 O ATOM 0 H ASP A 31 1.650 -10.427 2.039 1.00 0.00 H new ATOM 0 HA ASP A 31 2.861 -9.708 4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.359 -9.199 1.626 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.109 -8.123 2.787 1.00 0.00 H new ATOM 452 N LEU A 32 0.986 -7.463 2.970 1.00 0.00 N ATOM 453 CA LEU A 32 0.189 -6.253 3.099 1.00 0.00 C ATOM 454 C LEU A 32 -0.786 -6.350 4.273 1.00 0.00 C ATOM 455 O LEU A 32 -0.813 -5.469 5.128 1.00 0.00 O ATOM 456 CB LEU A 32 -0.561 -6.021 1.774 1.00 0.00 C ATOM 457 CG LEU A 32 -0.665 -4.550 1.361 1.00 0.00 C ATOM 458 CD1 LEU A 32 -1.338 -3.666 2.412 1.00 0.00 C ATOM 459 CD2 LEU A 32 0.720 -4.009 0.974 1.00 0.00 C ATOM 0 H LEU A 32 0.861 -7.923 2.068 1.00 0.00 H new ATOM 0 HA LEU A 32 0.844 -5.407 3.305 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.056 -6.574 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.566 -6.434 1.861 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.319 -4.512 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.377 -2.638 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.351 -4.025 2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.767 -3.704 3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.633 -2.962 0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.395 -4.094 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.116 -4.587 0.139 1.00 0.00 H new ATOM 471 N ALA A 33 -1.554 -7.436 4.346 1.00 0.00 N ATOM 472 CA ALA A 33 -2.501 -7.731 5.411 1.00 0.00 C ATOM 473 C ALA A 33 -1.811 -7.622 6.767 1.00 0.00 C ATOM 474 O ALA A 33 -2.330 -6.951 7.649 1.00 0.00 O ATOM 475 CB ALA A 33 -3.051 -9.132 5.176 1.00 0.00 C ATOM 0 H ALA A 33 -1.529 -8.164 3.632 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.323 -7.016 5.408 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.765 -9.379 5.962 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.550 -9.169 4.208 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.232 -9.851 5.190 1.00 0.00 H new ATOM 481 N THR A 34 -0.642 -8.234 6.946 1.00 0.00 N ATOM 482 CA THR A 34 0.131 -8.099 8.172 1.00 0.00 C ATOM 483 C THR A 34 0.543 -6.644 8.419 1.00 0.00 C ATOM 484 O THR A 34 0.334 -6.149 9.530 1.00 0.00 O ATOM 485 CB THR A 34 1.318 -9.062 8.102 1.00 0.00 C ATOM 486 OG1 THR A 34 0.825 -10.382 8.206 1.00 0.00 O ATOM 487 CG2 THR A 34 2.345 -8.861 9.217 1.00 0.00 C ATOM 0 H THR A 34 -0.208 -8.835 6.246 1.00 0.00 H new ATOM 0 HA THR A 34 -0.478 -8.369 9.034 1.00 0.00 H new ATOM 0 HB THR A 34 1.823 -8.869 7.156 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.572 -11.015 8.161 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.155 -9.580 9.099 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.747 -7.849 9.163 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.866 -9.010 10.184 1.00 0.00 H new ATOM 495 N LYS A 35 1.085 -5.939 7.420 1.00 0.00 N ATOM 496 CA LYS A 35 1.505 -4.547 7.547 1.00 0.00 C ATOM 497 C LYS A 35 0.370 -3.650 8.032 1.00 0.00 C ATOM 498 O LYS A 35 0.613 -2.766 8.855 1.00 0.00 O ATOM 499 CB LYS A 35 2.022 -4.064 6.186 1.00 0.00 C ATOM 500 CG LYS A 35 3.497 -4.405 5.949 1.00 0.00 C ATOM 501 CD LYS A 35 3.841 -4.006 4.512 1.00 0.00 C ATOM 502 CE LYS A 35 5.298 -4.267 4.134 1.00 0.00 C ATOM 503 NZ LYS A 35 6.254 -3.324 4.742 1.00 0.00 N ATOM 0 H LYS A 35 1.245 -6.328 6.491 1.00 0.00 H new ATOM 0 HA LYS A 35 2.296 -4.489 8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.420 -4.512 5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.889 -2.984 6.115 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.132 -3.871 6.657 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.673 -5.470 6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.194 -4.554 3.827 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.624 -2.946 4.377 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.564 -5.281 4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.395 -4.218 3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.219 -3.565 4.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.027 -2.356 4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.191 -3.385 5.778 1.00 0.00 H new ATOM 517 N ILE A 36 -0.856 -3.854 7.547 1.00 0.00 N ATOM 518 CA ILE A 36 -2.014 -3.040 7.915 1.00 0.00 C ATOM 519 C ILE A 36 -2.868 -3.703 9.003 1.00 0.00 C ATOM 520 O ILE A 36 -3.934 -3.185 9.336 1.00 0.00 O ATOM 521 CB ILE A 36 -2.830 -2.625 6.676 1.00 0.00 C ATOM 522 CG1 ILE A 36 -3.623 -3.782 6.039 1.00 0.00 C ATOM 523 CG2 ILE A 36 -1.929 -1.916 5.647 1.00 0.00 C ATOM 524 CD1 ILE A 36 -4.827 -3.246 5.267 1.00 0.00 C ATOM 0 H ILE A 36 -1.074 -4.596 6.882 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.637 -2.119 8.359 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.585 -1.920 7.025 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.976 -4.348 5.368 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.958 -4.471 6.814 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.523 -1.630 4.779 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.494 -1.024 6.098 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.132 -2.591 5.335 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.375 -4.078 4.824 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.482 -2.701 5.947 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.485 -2.576 4.478 1.00 0.00 H new ATOM 536 N ASN A 37 -2.405 -4.827 9.552 1.00 0.00 N ATOM 537 CA ASN A 37 -3.086 -5.695 10.501 1.00 0.00 C ATOM 538 C ASN A 37 -4.553 -5.972 10.131 1.00 0.00 C ATOM 539 O ASN A 37 -5.474 -5.592 10.854 1.00 0.00 O ATOM 540 CB ASN A 37 -2.896 -5.143 11.921 1.00 0.00 C ATOM 541 CG ASN A 37 -3.508 -6.075 12.950 1.00 0.00 C ATOM 542 OD1 ASN A 37 -3.318 -7.288 12.886 1.00 0.00 O ATOM 543 ND2 ASN A 37 -4.227 -5.546 13.921 1.00 0.00 N ATOM 0 H ASN A 37 -1.474 -5.176 9.325 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.625 -6.682 10.460 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.833 -5.015 12.127 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.356 -4.158 11.997 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.637 -6.146 14.637 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.373 -4.537 13.956 1.00 0.00 H new ATOM 550 N GLU A 38 -4.773 -6.637 8.996 1.00 0.00 N ATOM 551 CA GLU A 38 -6.062 -7.119 8.497 1.00 0.00 C ATOM 552 C GLU A 38 -5.903 -8.527 7.892 1.00 0.00 C ATOM 553 O GLU A 38 -4.857 -9.159 8.071 1.00 0.00 O ATOM 554 CB GLU A 38 -6.677 -6.063 7.546 1.00 0.00 C ATOM 555 CG GLU A 38 -7.654 -5.206 8.374 1.00 0.00 C ATOM 556 CD GLU A 38 -8.493 -4.168 7.628 1.00 0.00 C ATOM 557 OE1 GLU A 38 -9.485 -4.542 6.964 1.00 0.00 O ATOM 558 OE2 GLU A 38 -8.267 -2.965 7.907 1.00 0.00 O ATOM 0 H GLU A 38 -4.009 -6.868 8.361 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.778 -7.238 9.310 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.897 -5.440 7.109 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.198 -6.548 6.720 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.336 -5.880 8.892 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.078 -4.685 9.139 1.00 0.00 H new ATOM 565 N LYS A 39 -6.945 -9.088 7.258 1.00 0.00 N ATOM 566 CA LYS A 39 -6.884 -10.401 6.606 1.00 0.00 C ATOM 567 C LYS A 39 -6.281 -10.279 5.207 1.00 0.00 C ATOM 568 O LYS A 39 -6.562 -9.312 4.505 1.00 0.00 O ATOM 569 CB LYS A 39 -8.295 -11.010 6.461 1.00 0.00 C ATOM 570 CG LYS A 39 -9.018 -11.284 7.783 1.00 0.00 C ATOM 571 CD LYS A 39 -8.419 -12.480 8.531 1.00 0.00 C ATOM 572 CE LYS A 39 -9.027 -12.585 9.932 1.00 0.00 C ATOM 573 NZ LYS A 39 -8.354 -13.631 10.724 1.00 0.00 N ATOM 0 H LYS A 39 -7.858 -8.639 7.184 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.263 -11.043 7.231 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.907 -10.335 5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.216 -11.945 5.906 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.964 -10.398 8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.074 -11.472 7.586 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.608 -13.398 7.975 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.337 -12.368 8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.941 -11.626 10.442 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.091 -12.810 9.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.785 -13.682 11.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.458 -14.549 10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.344 -13.401 10.816 1.00 0.00 H new ATOM 587 N PRO A 40 -5.564 -11.307 4.726 1.00 0.00 N ATOM 588 CA PRO A 40 -5.141 -11.386 3.334 1.00 0.00 C ATOM 589 C PRO A 40 -6.323 -11.546 2.391 1.00 0.00 C ATOM 590 O PRO A 40 -6.235 -11.144 1.230 1.00 0.00 O ATOM 591 CB PRO A 40 -4.214 -12.593 3.256 1.00 0.00 C ATOM 592 CG PRO A 40 -4.550 -13.441 4.479 1.00 0.00 C ATOM 593 CD PRO A 40 -5.146 -12.469 5.485 1.00 0.00 C ATOM 0 HA PRO A 40 -4.641 -10.468 3.025 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.374 -13.152 2.334 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.168 -12.286 3.266 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.257 -14.231 4.228 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.659 -13.926 4.879 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.991 -12.918 6.006 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.413 -12.195 6.243 1.00 0.00 H new ATOM 601 N GLN A 41 -7.416 -12.146 2.864 1.00 0.00 N ATOM 602 CA GLN A 41 -8.578 -12.369 2.031 1.00 0.00 C ATOM 603 C GLN A 41 -9.230 -11.034 1.677 1.00 0.00 C ATOM 604 O GLN A 41 -9.540 -10.824 0.508 1.00 0.00 O ATOM 605 CB GLN A 41 -9.544 -13.333 2.726 1.00 0.00 C ATOM 606 CG GLN A 41 -10.362 -14.104 1.681 1.00 0.00 C ATOM 607 CD GLN A 41 -9.518 -15.106 0.886 1.00 0.00 C ATOM 608 OE1 GLN A 41 -8.486 -15.591 1.354 1.00 0.00 O ATOM 609 NE2 GLN A 41 -9.907 -15.440 -0.329 1.00 0.00 N ATOM 0 H GLN A 41 -7.512 -12.483 3.822 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.279 -12.838 1.093 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.987 -14.031 3.351 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.212 -12.779 3.385 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.173 -14.635 2.180 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.822 -13.396 0.992 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.761 -15.040 -0.719 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.354 -16.098 -0.879 1.00 0.00 H new ATOM 618 N VAL A 42 -9.371 -10.116 2.642 1.00 0.00 N ATOM 619 CA VAL A 42 -9.973 -8.824 2.339 1.00 0.00 C ATOM 620 C VAL A 42 -9.060 -8.003 1.435 1.00 0.00 C ATOM 621 O VAL A 42 -9.583 -7.298 0.585 1.00 0.00 O ATOM 622 CB VAL A 42 -10.463 -8.065 3.588 1.00 0.00 C ATOM 623 CG1 VAL A 42 -11.380 -8.982 4.407 1.00 0.00 C ATOM 624 CG2 VAL A 42 -9.362 -7.498 4.493 1.00 0.00 C ATOM 0 H VAL A 42 -9.083 -10.243 3.612 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.888 -9.014 1.778 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.993 -7.192 3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.730 -8.450 5.292 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.235 -9.278 3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.827 -9.871 4.712 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.816 -6.984 5.340 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.734 -8.312 4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.752 -6.794 3.927 1.00 0.00 H new ATOM 634 N ILE A 43 -7.727 -8.136 1.525 1.00 0.00 N ATOM 635 CA ILE A 43 -6.829 -7.524 0.542 1.00 0.00 C ATOM 636 C ILE A 43 -7.178 -8.041 -0.855 1.00 0.00 C ATOM 637 O ILE A 43 -7.354 -7.259 -1.782 1.00 0.00 O ATOM 638 CB ILE A 43 -5.344 -7.781 0.875 1.00 0.00 C ATOM 639 CG1 ILE A 43 -4.898 -7.169 2.216 1.00 0.00 C ATOM 640 CG2 ILE A 43 -4.460 -7.283 -0.278 1.00 0.00 C ATOM 641 CD1 ILE A 43 -4.942 -5.640 2.304 1.00 0.00 C ATOM 0 H ILE A 43 -7.254 -8.658 2.263 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.971 -6.444 0.573 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.226 -8.858 0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.528 -7.577 3.006 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.878 -7.496 2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.413 -7.466 -0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.722 -7.815 -1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.618 -6.214 -0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.607 -5.323 3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.288 -5.213 1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.963 -5.295 2.139 1.00 0.00 H new ATOM 653 N ALA A 44 -7.295 -9.357 -1.022 1.00 0.00 N ATOM 654 CA ALA A 44 -7.645 -9.904 -2.324 1.00 0.00 C ATOM 655 C ALA A 44 -9.013 -9.424 -2.816 1.00 0.00 C ATOM 656 O ALA A 44 -9.244 -9.413 -4.026 1.00 0.00 O ATOM 657 CB ALA A 44 -7.529 -11.424 -2.296 1.00 0.00 C ATOM 0 H ALA A 44 -7.155 -10.049 -0.286 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.932 -9.524 -3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.792 -11.827 -3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.505 -11.706 -2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.206 -11.827 -1.543 1.00 0.00 H new ATOM 663 N ASP A 45 -9.901 -9.001 -1.917 1.00 0.00 N ATOM 664 CA ASP A 45 -11.161 -8.370 -2.277 1.00 0.00 C ATOM 665 C ASP A 45 -11.000 -6.861 -2.524 1.00 0.00 C ATOM 666 O ASP A 45 -11.782 -6.313 -3.297 1.00 0.00 O ATOM 667 CB ASP A 45 -12.230 -8.655 -1.205 1.00 0.00 C ATOM 668 CG ASP A 45 -13.257 -9.690 -1.653 1.00 0.00 C ATOM 669 OD1 ASP A 45 -12.864 -10.785 -2.126 1.00 0.00 O ATOM 670 OD2 ASP A 45 -14.477 -9.454 -1.492 1.00 0.00 O ATOM 0 H ASP A 45 -9.761 -9.089 -0.911 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.494 -8.806 -3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.741 -9.005 -0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.743 -7.726 -0.954 1.00 0.00 H new ATOM 675 N TYR A 46 -10.015 -6.177 -1.925 1.00 0.00 N ATOM 676 CA TYR A 46 -9.682 -4.772 -2.183 1.00 0.00 C ATOM 677 C TYR A 46 -9.260 -4.633 -3.638 1.00 0.00 C ATOM 678 O TYR A 46 -9.905 -3.886 -4.375 1.00 0.00 O ATOM 679 CB TYR A 46 -8.576 -4.230 -1.251 1.00 0.00 C ATOM 680 CG TYR A 46 -9.061 -3.383 -0.089 1.00 0.00 C ATOM 681 CD1 TYR A 46 -9.176 -1.988 -0.239 1.00 0.00 C ATOM 682 CD2 TYR A 46 -9.359 -3.978 1.151 1.00 0.00 C ATOM 683 CE1 TYR A 46 -9.586 -1.192 0.845 1.00 0.00 C ATOM 684 CE2 TYR A 46 -9.807 -3.198 2.228 1.00 0.00 C ATOM 685 CZ TYR A 46 -9.924 -1.802 2.073 1.00 0.00 C ATOM 686 OH TYR A 46 -10.344 -1.040 3.117 1.00 0.00 O ATOM 0 H TYR A 46 -9.409 -6.603 -1.224 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.570 -4.174 -1.978 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.014 -5.075 -0.853 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -7.882 -3.637 -1.846 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.949 -1.528 -1.189 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.242 -5.044 1.275 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.642 -0.119 0.739 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -10.060 -3.664 3.169 1.00 0.00 H new ATOM 0 HH TYR A 46 -10.537 -1.616 3.886 1.00 0.00 H new ATOM 696 N GLU A 47 -8.215 -5.346 -4.065 1.00 0.00 N ATOM 697 CA GLU A 47 -7.761 -5.359 -5.434 1.00 0.00 C ATOM 698 C GLU A 47 -8.875 -5.685 -6.425 1.00 0.00 C ATOM 699 O GLU A 47 -8.960 -5.047 -7.476 1.00 0.00 O ATOM 700 CB GLU A 47 -6.658 -6.399 -5.528 1.00 0.00 C ATOM 701 CG GLU A 47 -5.326 -5.863 -5.019 1.00 0.00 C ATOM 702 CD GLU A 47 -5.007 -5.944 -3.536 1.00 0.00 C ATOM 703 OE1 GLU A 47 -5.545 -5.180 -2.715 1.00 0.00 O ATOM 704 OE2 GLU A 47 -4.068 -6.728 -3.256 1.00 0.00 O ATOM 0 H GLU A 47 -7.659 -5.937 -3.448 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.405 -4.364 -5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.939 -7.280 -4.950 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.548 -6.719 -6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.536 -6.391 -5.553 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.262 -4.815 -5.310 1.00 0.00 H new ATOM 711 N SER A 48 -9.722 -6.667 -6.115 1.00 0.00 N ATOM 712 CA SER A 48 -10.850 -7.008 -6.971 1.00 0.00 C ATOM 713 C SER A 48 -11.914 -5.914 -7.047 1.00 0.00 C ATOM 714 O SER A 48 -12.646 -5.891 -8.038 1.00 0.00 O ATOM 715 CB SER A 48 -11.526 -8.280 -6.483 1.00 0.00 C ATOM 716 OG SER A 48 -10.717 -9.399 -6.801 1.00 0.00 O ATOM 0 H SER A 48 -9.645 -7.239 -5.274 1.00 0.00 H new ATOM 0 HA SER A 48 -10.425 -7.140 -7.966 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.687 -8.229 -5.406 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.507 -8.384 -6.947 1.00 0.00 H new ATOM 0 HG SER A 48 -10.133 -9.607 -6.042 1.00 0.00 H new ATOM 722 N GLY A 49 -12.030 -5.025 -6.055 1.00 0.00 N ATOM 723 CA GLY A 49 -13.068 -4.001 -6.057 1.00 0.00 C ATOM 724 C GLY A 49 -14.296 -4.369 -5.227 1.00 0.00 C ATOM 725 O GLY A 49 -15.391 -3.906 -5.540 1.00 0.00 O ATOM 0 H GLY A 49 -11.415 -4.998 -5.242 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.648 -3.070 -5.675 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.378 -3.813 -7.085 1.00 0.00 H new ATOM 729 N ARG A 50 -14.163 -5.242 -4.226 1.00 0.00 N ATOM 730 CA ARG A 50 -15.292 -5.817 -3.492 1.00 0.00 C ATOM 731 C ARG A 50 -15.229 -5.568 -1.990 1.00 0.00 C ATOM 732 O ARG A 50 -16.292 -5.465 -1.376 1.00 0.00 O ATOM 733 CB ARG A 50 -15.392 -7.317 -3.787 1.00 0.00 C ATOM 734 CG ARG A 50 -15.786 -7.567 -5.247 1.00 0.00 C ATOM 735 CD ARG A 50 -16.140 -9.038 -5.443 1.00 0.00 C ATOM 736 NE ARG A 50 -16.458 -9.302 -6.850 1.00 0.00 N ATOM 737 CZ ARG A 50 -17.491 -9.986 -7.339 1.00 0.00 C ATOM 738 NH1 ARG A 50 -18.424 -10.529 -6.563 1.00 0.00 N ATOM 739 NH2 ARG A 50 -17.571 -10.136 -8.647 1.00 0.00 N ATOM 0 H ARG A 50 -13.256 -5.574 -3.898 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.190 -5.309 -3.843 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.436 -7.796 -3.578 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -16.128 -7.773 -3.125 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -16.636 -6.940 -5.516 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.964 -7.290 -5.907 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.306 -9.665 -5.128 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.991 -9.301 -4.815 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.810 -8.915 -7.537 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -18.366 -10.430 -5.550 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -19.198 -11.045 -6.981 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.854 -9.734 -9.251 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -18.349 -10.654 -9.054 1.00 0.00 H new ATOM 753 N ALA A 51 -14.038 -5.470 -1.390 1.00 0.00 N ATOM 754 CA ALA A 51 -13.923 -5.037 0.000 1.00 0.00 C ATOM 755 C ALA A 51 -14.361 -3.578 0.056 1.00 0.00 C ATOM 756 O ALA A 51 -13.902 -2.792 -0.772 1.00 0.00 O ATOM 757 CB ALA A 51 -12.485 -5.174 0.511 1.00 0.00 C ATOM 0 H ALA A 51 -13.149 -5.683 -1.843 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.549 -5.662 0.636 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.434 -4.843 1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.174 -6.217 0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.822 -4.560 -0.098 1.00 0.00 H new ATOM 763 N ILE A 52 -15.217 -3.200 1.010 1.00 0.00 N ATOM 764 CA ILE A 52 -15.664 -1.817 1.139 1.00 0.00 C ATOM 765 C ILE A 52 -14.461 -0.990 1.611 1.00 0.00 C ATOM 766 O ILE A 52 -13.988 -1.215 2.735 1.00 0.00 O ATOM 767 CB ILE A 52 -16.875 -1.679 2.081 1.00 0.00 C ATOM 768 CG1 ILE A 52 -18.054 -2.587 1.673 1.00 0.00 C ATOM 769 CG2 ILE A 52 -17.337 -0.209 2.130 1.00 0.00 C ATOM 770 CD1 ILE A 52 -18.555 -2.445 0.229 1.00 0.00 C ATOM 0 H ILE A 52 -15.612 -3.836 1.703 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.017 -1.447 0.176 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.550 -2.002 3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.758 -3.624 1.832 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -18.888 -2.387 2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.194 -0.119 2.798 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -16.523 0.416 2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -17.621 0.117 1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.384 -3.133 0.062 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.893 -1.422 0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -17.745 -2.678 -0.462 1.00 0.00 H new ATOM 782 N PRO A 53 -13.942 -0.067 0.783 1.00 0.00 N ATOM 783 CA PRO A 53 -12.752 0.687 1.104 1.00 0.00 C ATOM 784 C PRO A 53 -13.139 1.818 2.058 1.00 0.00 C ATOM 785 O PRO A 53 -13.894 2.718 1.687 1.00 0.00 O ATOM 786 CB PRO A 53 -12.233 1.175 -0.251 1.00 0.00 C ATOM 787 CG PRO A 53 -13.498 1.386 -1.081 1.00 0.00 C ATOM 788 CD PRO A 53 -14.470 0.351 -0.512 1.00 0.00 C ATOM 0 HA PRO A 53 -11.973 0.121 1.615 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.664 2.099 -0.150 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.572 0.442 -0.712 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.883 2.400 -0.976 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.314 1.224 -2.143 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.467 0.778 -0.402 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.561 -0.502 -1.184 1.00 0.00 H new ATOM 796 N ASN A 54 -12.634 1.791 3.292 1.00 0.00 N ATOM 797 CA ASN A 54 -12.835 2.876 4.253 1.00 0.00 C ATOM 798 C ASN A 54 -11.627 3.788 4.181 1.00 0.00 C ATOM 799 O ASN A 54 -10.514 3.295 4.001 1.00 0.00 O ATOM 800 CB ASN A 54 -12.961 2.345 5.686 1.00 0.00 C ATOM 801 CG ASN A 54 -14.216 1.519 5.902 1.00 0.00 C ATOM 802 OD1 ASN A 54 -15.223 1.675 5.214 1.00 0.00 O ATOM 803 ND2 ASN A 54 -14.174 0.610 6.857 1.00 0.00 N ATOM 0 H ASN A 54 -12.075 1.018 3.653 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.757 3.402 4.004 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.087 1.737 5.921 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.961 3.185 6.381 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.987 0.020 7.036 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.329 0.497 7.416 1.00 0.00 H new ATOM 810 N ASN A 55 -11.819 5.088 4.411 1.00 0.00 N ATOM 811 CA ASN A 55 -10.769 6.107 4.386 1.00 0.00 C ATOM 812 C ASN A 55 -9.618 5.724 5.320 1.00 0.00 C ATOM 813 O ASN A 55 -8.451 5.782 4.932 1.00 0.00 O ATOM 814 CB ASN A 55 -11.384 7.463 4.769 1.00 0.00 C ATOM 815 CG ASN A 55 -10.450 8.654 4.579 1.00 0.00 C ATOM 816 OD1 ASN A 55 -9.280 8.531 4.222 1.00 0.00 O ATOM 817 ND2 ASN A 55 -10.965 9.847 4.791 1.00 0.00 N ATOM 0 H ASN A 55 -12.739 5.473 4.627 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.350 6.181 3.382 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.282 7.622 4.173 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -11.697 7.425 5.812 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.392 10.681 4.659 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -11.937 9.938 5.087 1.00 0.00 H new ATOM 824 N GLN A 56 -9.936 5.271 6.534 1.00 0.00 N ATOM 825 CA GLN A 56 -8.948 4.854 7.522 1.00 0.00 C ATOM 826 C GLN A 56 -8.052 3.733 6.970 1.00 0.00 C ATOM 827 O GLN A 56 -6.829 3.853 6.996 1.00 0.00 O ATOM 828 CB GLN A 56 -9.690 4.465 8.811 1.00 0.00 C ATOM 829 CG GLN A 56 -8.763 4.350 10.030 1.00 0.00 C ATOM 830 CD GLN A 56 -9.527 4.305 11.357 1.00 0.00 C ATOM 831 OE1 GLN A 56 -10.745 4.180 11.388 1.00 0.00 O ATOM 832 NE2 GLN A 56 -8.860 4.455 12.494 1.00 0.00 N ATOM 0 H GLN A 56 -10.899 5.184 6.859 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.268 5.673 7.755 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.461 5.208 9.017 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.198 3.513 8.657 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.156 3.450 9.935 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.077 5.197 10.040 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.846 4.560 12.480 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.362 4.465 13.382 1.00 0.00 H new ATOM 841 N VAL A 57 -8.642 2.656 6.442 1.00 0.00 N ATOM 842 CA VAL A 57 -7.893 1.514 5.918 1.00 0.00 C ATOM 843 C VAL A 57 -7.141 1.901 4.650 1.00 0.00 C ATOM 844 O VAL A 57 -5.984 1.515 4.501 1.00 0.00 O ATOM 845 CB VAL A 57 -8.824 0.320 5.651 1.00 0.00 C ATOM 846 CG1 VAL A 57 -8.019 -0.924 5.241 1.00 0.00 C ATOM 847 CG2 VAL A 57 -9.652 -0.014 6.891 1.00 0.00 C ATOM 0 H VAL A 57 -9.654 2.553 6.367 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.166 1.213 6.672 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.490 0.605 4.836 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.701 -1.754 5.058 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.456 -0.710 4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.329 -1.191 6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.302 -0.862 6.677 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.986 -0.267 7.716 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.259 0.848 7.166 1.00 0.00 H new ATOM 857 N LEU A 58 -7.761 2.691 3.768 1.00 0.00 N ATOM 858 CA LEU A 58 -7.102 3.273 2.609 1.00 0.00 C ATOM 859 C LEU A 58 -5.827 3.978 3.067 1.00 0.00 C ATOM 860 O LEU A 58 -4.792 3.774 2.454 1.00 0.00 O ATOM 861 CB LEU A 58 -8.052 4.235 1.875 1.00 0.00 C ATOM 862 CG LEU A 58 -9.103 3.548 0.983 1.00 0.00 C ATOM 863 CD1 LEU A 58 -10.200 4.565 0.646 1.00 0.00 C ATOM 864 CD2 LEU A 58 -8.500 3.020 -0.322 1.00 0.00 C ATOM 0 H LEU A 58 -8.746 2.943 3.845 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.833 2.489 1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.568 4.848 2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.458 4.910 1.259 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.505 2.696 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.952 4.093 0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.667 4.915 1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.762 5.411 0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.280 2.544 -0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.069 3.848 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.722 2.291 -0.095 1.00 0.00 H new ATOM 876 N GLY A 59 -5.860 4.732 4.169 1.00 0.00 N ATOM 877 CA GLY A 59 -4.684 5.372 4.748 1.00 0.00 C ATOM 878 C GLY A 59 -3.613 4.367 5.181 1.00 0.00 C ATOM 879 O GLY A 59 -2.425 4.616 4.975 1.00 0.00 O ATOM 0 H GLY A 59 -6.718 4.915 4.689 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.256 6.061 4.020 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.987 5.967 5.610 1.00 0.00 H new ATOM 883 N LYS A 60 -3.990 3.220 5.761 1.00 0.00 N ATOM 884 CA LYS A 60 -3.026 2.178 6.108 1.00 0.00 C ATOM 885 C LYS A 60 -2.371 1.627 4.841 1.00 0.00 C ATOM 886 O LYS A 60 -1.155 1.427 4.822 1.00 0.00 O ATOM 887 CB LYS A 60 -3.690 1.046 6.906 1.00 0.00 C ATOM 888 CG LYS A 60 -4.333 1.501 8.225 1.00 0.00 C ATOM 889 CD LYS A 60 -4.744 0.304 9.093 1.00 0.00 C ATOM 890 CE LYS A 60 -5.922 -0.486 8.500 1.00 0.00 C ATOM 891 NZ LYS A 60 -6.265 -1.682 9.297 1.00 0.00 N ATOM 0 H LYS A 60 -4.956 2.994 5.998 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.258 2.623 6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.453 0.578 6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.943 0.282 7.123 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.631 2.127 8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.208 2.115 8.012 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.890 -0.362 9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.014 0.658 10.088 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.794 0.164 8.435 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.675 -0.791 7.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.878 -2.308 8.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.394 -2.189 9.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.765 -1.391 10.162 1.00 0.00 H new ATOM 905 N ILE A 61 -3.163 1.362 3.801 1.00 0.00 N ATOM 906 CA ILE A 61 -2.707 0.866 2.508 1.00 0.00 C ATOM 907 C ILE A 61 -1.816 1.905 1.830 1.00 0.00 C ATOM 908 O ILE A 61 -0.855 1.538 1.159 1.00 0.00 O ATOM 909 CB ILE A 61 -3.923 0.478 1.636 1.00 0.00 C ATOM 910 CG1 ILE A 61 -4.590 -0.766 2.258 1.00 0.00 C ATOM 911 CG2 ILE A 61 -3.532 0.195 0.172 1.00 0.00 C ATOM 912 CD1 ILE A 61 -5.823 -1.212 1.478 1.00 0.00 C ATOM 0 H ILE A 61 -4.174 1.492 3.840 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.105 -0.032 2.649 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.615 1.320 1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.869 -1.583 2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.873 -0.547 3.288 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.422 -0.073 -0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.078 1.086 -0.262 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.819 -0.628 0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.257 -2.091 1.955 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.557 -0.406 1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.537 -1.458 0.455 1.00 0.00 H new ATOM 924 N GLU A 62 -2.099 3.195 1.992 1.00 0.00 N ATOM 925 CA GLU A 62 -1.246 4.216 1.403 1.00 0.00 C ATOM 926 C GLU A 62 0.163 4.063 1.930 1.00 0.00 C ATOM 927 O GLU A 62 1.090 3.978 1.135 1.00 0.00 O ATOM 928 CB GLU A 62 -1.705 5.655 1.695 1.00 0.00 C ATOM 929 CG GLU A 62 -2.920 6.095 0.896 1.00 0.00 C ATOM 930 CD GLU A 62 -3.352 7.530 1.151 1.00 0.00 C ATOM 931 OE1 GLU A 62 -2.903 8.175 2.129 1.00 0.00 O ATOM 932 OE2 GLU A 62 -4.198 8.017 0.370 1.00 0.00 O ATOM 0 H GLU A 62 -2.898 3.551 2.517 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.300 4.065 0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.931 5.744 2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.881 6.337 1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.704 5.976 -0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.753 5.431 1.128 1.00 0.00 H new ATOM 939 N ARG A 63 0.344 3.985 3.251 1.00 0.00 N ATOM 940 CA ARG A 63 1.670 3.763 3.823 1.00 0.00 C ATOM 941 C ARG A 63 2.270 2.463 3.308 1.00 0.00 C ATOM 942 O ARG A 63 3.450 2.452 2.960 1.00 0.00 O ATOM 943 CB ARG A 63 1.623 3.794 5.351 1.00 0.00 C ATOM 944 CG ARG A 63 1.086 5.127 5.888 1.00 0.00 C ATOM 945 CD ARG A 63 1.335 5.200 7.390 1.00 0.00 C ATOM 946 NE ARG A 63 0.685 6.362 8.003 1.00 0.00 N ATOM 947 CZ ARG A 63 0.894 6.777 9.256 1.00 0.00 C ATOM 948 NH1 ARG A 63 1.845 6.223 10.002 1.00 0.00 N ATOM 949 NH2 ARG A 63 0.110 7.723 9.751 1.00 0.00 N ATOM 0 H ARG A 63 -0.405 4.072 3.938 1.00 0.00 H new ATOM 0 HA ARG A 63 2.319 4.577 3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.993 2.980 5.710 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.624 3.622 5.747 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.578 5.960 5.385 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.020 5.213 5.680 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.967 4.289 7.862 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.408 5.245 7.577 1.00 0.00 H new ATOM 0 HE ARG A 63 0.026 6.892 7.432 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.422 5.475 9.619 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.997 6.546 10.957 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.635 8.119 9.178 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.251 8.055 10.705 1.00 0.00 H new ATOM 963 N ALA A 64 1.446 1.419 3.191 1.00 0.00 N ATOM 964 CA ALA A 64 1.822 0.095 2.724 1.00 0.00 C ATOM 965 C ALA A 64 2.452 0.085 1.323 1.00 0.00 C ATOM 966 O ALA A 64 3.223 -0.828 1.023 1.00 0.00 O ATOM 967 CB ALA A 64 0.587 -0.810 2.731 1.00 0.00 C ATOM 0 H ALA A 64 0.457 1.483 3.431 1.00 0.00 H new ATOM 0 HA ALA A 64 2.587 -0.271 3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.863 -1.805 2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.192 -0.878 3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.174 -0.392 2.072 1.00 0.00 H new ATOM 973 N ILE A 65 2.150 1.056 0.452 1.00 0.00 N ATOM 974 CA ILE A 65 2.821 1.190 -0.842 1.00 0.00 C ATOM 975 C ILE A 65 3.653 2.485 -0.940 1.00 0.00 C ATOM 976 O ILE A 65 4.500 2.605 -1.821 1.00 0.00 O ATOM 977 CB ILE A 65 1.809 1.023 -1.990 1.00 0.00 C ATOM 978 CG1 ILE A 65 0.879 2.237 -2.140 1.00 0.00 C ATOM 979 CG2 ILE A 65 0.981 -0.270 -1.852 1.00 0.00 C ATOM 980 CD1 ILE A 65 -0.054 2.082 -3.337 1.00 0.00 C ATOM 0 H ILE A 65 1.438 1.765 0.625 1.00 0.00 H new ATOM 0 HA ILE A 65 3.548 0.383 -0.936 1.00 0.00 H new ATOM 0 HB ILE A 65 2.406 0.949 -2.899 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.290 2.360 -1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.476 3.142 -2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.281 -0.344 -2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.648 -1.132 -1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.428 -0.249 -0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.697 2.959 -3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.536 1.985 -4.248 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.668 1.191 -3.206 1.00 0.00 H new ATOM 992 N GLY A 66 3.437 3.437 -0.035 1.00 0.00 N ATOM 993 CA GLY A 66 4.008 4.776 0.007 1.00 0.00 C ATOM 994 C GLY A 66 3.455 5.709 -1.064 1.00 0.00 C ATOM 995 O GLY A 66 4.156 6.644 -1.450 1.00 0.00 O ATOM 0 H GLY A 66 2.806 3.276 0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.820 5.211 0.988 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.090 4.705 -0.108 1.00 0.00 H new ATOM 999 N LEU A 67 2.216 5.497 -1.524 1.00 0.00 N ATOM 1000 CA LEU A 67 1.561 6.296 -2.558 1.00 0.00 C ATOM 1001 C LEU A 67 0.120 6.577 -2.143 1.00 0.00 C ATOM 1002 O LEU A 67 -0.432 5.856 -1.316 1.00 0.00 O ATOM 1003 CB LEU A 67 1.550 5.584 -3.921 1.00 0.00 C ATOM 1004 CG LEU A 67 2.857 4.940 -4.419 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.505 4.074 -5.625 1.00 0.00 C ATOM 1006 CD2 LEU A 67 3.938 5.946 -4.816 1.00 0.00 C ATOM 0 H LEU A 67 1.627 4.741 -1.174 1.00 0.00 H new ATOM 0 HA LEU A 67 2.126 7.222 -2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.789 4.805 -3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.229 6.307 -4.671 1.00 0.00 H new ATOM 0 HG LEU A 67 3.279 4.364 -3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.408 3.599 -6.008 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.790 3.307 -5.326 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.064 4.697 -6.404 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.825 5.412 -5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.567 6.580 -5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.193 6.564 -3.955 1.00 0.00 H new ATOM 1018 N LYS A 68 -0.483 7.622 -2.714 1.00 0.00 N ATOM 1019 CA LYS A 68 -1.871 8.016 -2.510 1.00 0.00 C ATOM 1020 C LYS A 68 -2.791 6.957 -3.091 1.00 0.00 C ATOM 1021 O LYS A 68 -2.564 6.494 -4.211 1.00 0.00 O ATOM 1022 CB LYS A 68 -2.153 9.342 -3.235 1.00 0.00 C ATOM 1023 CG LYS A 68 -1.600 10.565 -2.493 1.00 0.00 C ATOM 1024 CD LYS A 68 -1.895 11.820 -3.319 1.00 0.00 C ATOM 1025 CE LYS A 68 -1.524 13.094 -2.555 1.00 0.00 C ATOM 1026 NZ LYS A 68 -1.464 14.272 -3.450 1.00 0.00 N ATOM 0 H LYS A 68 0.008 8.241 -3.359 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.047 8.129 -1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.717 9.303 -4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.229 9.458 -3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.057 10.646 -1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.526 10.459 -2.339 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.338 11.780 -4.255 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.953 11.845 -3.579 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.256 13.272 -1.768 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.559 12.958 -2.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.667 15.133 -2.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.514 14.343 -3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.168 14.168 -4.208 1.00 0.00 H new ATOM 1040 N LEU A 69 -3.879 6.671 -2.380 1.00 0.00 N ATOM 1041 CA LEU A 69 -4.979 5.815 -2.820 1.00 0.00 C ATOM 1042 C LEU A 69 -6.260 6.643 -2.967 1.00 0.00 C ATOM 1043 O LEU A 69 -7.318 6.105 -3.297 1.00 0.00 O ATOM 1044 CB LEU A 69 -5.170 4.659 -1.821 1.00 0.00 C ATOM 1045 CG LEU A 69 -4.264 3.436 -2.041 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.605 2.668 -3.309 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -2.774 3.713 -2.156 1.00 0.00 C ATOM 0 H LEU A 69 -4.025 7.045 -1.442 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.742 5.387 -3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.998 5.040 -0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.209 4.332 -1.865 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.463 2.873 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.932 1.816 -3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.634 2.313 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.493 3.324 -4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.240 2.775 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.591 4.376 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.420 4.186 -1.240 1.00 0.00 H new ATOM 1059 N ARG A 70 -6.194 7.950 -2.708 1.00 0.00 N ATOM 1060 CA ARG A 70 -7.342 8.830 -2.581 1.00 0.00 C ATOM 1061 C ARG A 70 -7.048 10.108 -3.354 1.00 0.00 C ATOM 1062 O ARG A 70 -5.921 10.604 -3.317 1.00 0.00 O ATOM 1063 CB ARG A 70 -7.577 9.118 -1.091 1.00 0.00 C ATOM 1064 CG ARG A 70 -7.937 7.860 -0.271 1.00 0.00 C ATOM 1065 CD ARG A 70 -7.953 8.151 1.232 1.00 0.00 C ATOM 1066 NE ARG A 70 -6.604 8.521 1.687 1.00 0.00 N ATOM 1067 CZ ARG A 70 -6.282 9.509 2.523 1.00 0.00 C ATOM 1068 NH1 ARG A 70 -7.209 10.114 3.251 1.00 0.00 N ATOM 1069 NH2 ARG A 70 -5.020 9.889 2.609 1.00 0.00 N ATOM 0 H ARG A 70 -5.306 8.435 -2.578 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.244 8.373 -2.988 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.680 9.572 -0.671 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.380 9.849 -0.992 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.915 7.491 -0.581 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.216 7.070 -0.481 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.653 8.959 1.447 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.302 7.274 1.777 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.832 7.962 1.324 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.185 9.826 3.177 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.947 10.868 3.886 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.309 9.428 2.041 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.757 10.643 3.243 1.00 0.00 H new ATOM 1083 N GLY A 71 -8.075 10.648 -4.006 1.00 0.00 N ATOM 1084 CA GLY A 71 -7.962 11.789 -4.900 1.00 0.00 C ATOM 1085 C GLY A 71 -7.346 11.378 -6.236 1.00 0.00 C ATOM 1086 O GLY A 71 -6.728 10.320 -6.355 1.00 0.00 O ATOM 0 H GLY A 71 -9.028 10.294 -3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.948 12.223 -5.068 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.349 12.561 -4.435 1.00 0.00 H new ATOM 1090 N LYS A 72 -7.497 12.219 -7.263 1.00 0.00 N ATOM 1091 CA LYS A 72 -7.036 11.876 -8.615 1.00 0.00 C ATOM 1092 C LYS A 72 -5.510 11.926 -8.769 1.00 0.00 C ATOM 1093 O LYS A 72 -5.000 11.580 -9.832 1.00 0.00 O ATOM 1094 CB LYS A 72 -7.756 12.720 -9.680 1.00 0.00 C ATOM 1095 CG LYS A 72 -9.274 12.471 -9.676 1.00 0.00 C ATOM 1096 CD LYS A 72 -9.962 13.098 -10.894 1.00 0.00 C ATOM 1097 CE LYS A 72 -11.445 12.711 -10.883 1.00 0.00 C ATOM 1098 NZ LYS A 72 -12.094 12.940 -12.187 1.00 0.00 N ATOM 0 H LYS A 72 -7.932 13.138 -7.187 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.308 10.833 -8.778 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.561 13.777 -9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.352 12.485 -10.665 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.465 11.398 -9.664 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.706 12.882 -8.764 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.856 14.183 -10.870 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.489 12.752 -11.813 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.542 11.660 -10.611 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.963 13.287 -10.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.095 12.664 -12.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.027 13.947 -12.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.619 12.371 -12.916 1.00 0.00 H new ATOM 1112 N ASP A 73 -4.767 12.296 -7.721 1.00 0.00 N ATOM 1113 CA ASP A 73 -3.315 12.100 -7.649 1.00 0.00 C ATOM 1114 C ASP A 73 -2.968 10.641 -7.321 1.00 0.00 C ATOM 1115 O ASP A 73 -1.850 10.375 -6.881 1.00 0.00 O ATOM 1116 CB ASP A 73 -2.664 13.016 -6.594 1.00 0.00 C ATOM 1117 CG ASP A 73 -2.630 14.496 -6.921 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -2.341 14.873 -8.082 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -2.792 15.274 -5.947 1.00 0.00 O ATOM 0 H ASP A 73 -5.159 12.743 -6.892 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.920 12.358 -8.632 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.196 12.886 -5.652 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.641 12.678 -6.431 1.00 0.00 H new ATOM 1124 N ILE A 74 -3.893 9.685 -7.457 1.00 0.00 N ATOM 1125 CA ILE A 74 -3.667 8.302 -7.077 1.00 0.00 C ATOM 1126 C ILE A 74 -2.357 7.780 -7.683 1.00 0.00 C ATOM 1127 O ILE A 74 -2.040 8.030 -8.858 1.00 0.00 O ATOM 1128 CB ILE A 74 -4.908 7.460 -7.439 1.00 0.00 C ATOM 1129 CG1 ILE A 74 -5.060 6.342 -6.401 1.00 0.00 C ATOM 1130 CG2 ILE A 74 -4.956 7.078 -8.927 1.00 0.00 C ATOM 1131 CD1 ILE A 74 -6.275 5.444 -6.622 1.00 0.00 C ATOM 0 H ILE A 74 -4.823 9.859 -7.837 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.538 8.221 -5.998 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.823 8.047 -7.362 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.160 5.726 -6.412 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.128 6.789 -5.409 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.851 6.487 -9.122 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.980 7.983 -9.534 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.072 6.493 -9.181 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.309 4.680 -5.845 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.184 6.045 -6.580 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.201 4.965 -7.599 1.00 0.00 H new ATOM 1143 N GLY A 75 -1.573 7.077 -6.871 1.00 0.00 N ATOM 1144 CA GLY A 75 -0.298 6.535 -7.295 1.00 0.00 C ATOM 1145 C GLY A 75 0.839 7.564 -7.284 1.00 0.00 C ATOM 1146 O GLY A 75 1.989 7.202 -7.542 1.00 0.00 O ATOM 0 H GLY A 75 -1.809 6.870 -5.901 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.031 5.703 -6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.401 6.130 -8.302 1.00 0.00 H new ATOM 1150 N LYS A 76 0.597 8.845 -6.982 1.00 0.00 N ATOM 1151 CA LYS A 76 1.645 9.787 -6.610 1.00 0.00 C ATOM 1152 C LYS A 76 2.066 9.453 -5.177 1.00 0.00 C ATOM 1153 O LYS A 76 1.247 8.958 -4.408 1.00 0.00 O ATOM 1154 CB LYS A 76 1.134 11.234 -6.672 1.00 0.00 C ATOM 1155 CG LYS A 76 0.746 11.668 -8.093 1.00 0.00 C ATOM 1156 CD LYS A 76 1.894 12.346 -8.846 1.00 0.00 C ATOM 1157 CE LYS A 76 1.543 12.484 -10.333 1.00 0.00 C ATOM 1158 NZ LYS A 76 1.759 11.227 -11.079 1.00 0.00 N ATOM 0 H LYS A 76 -0.338 9.254 -6.991 1.00 0.00 H new ATOM 0 HA LYS A 76 2.483 9.703 -7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.269 11.337 -6.017 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.905 11.903 -6.290 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.415 10.795 -8.656 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.100 12.353 -8.039 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.089 13.329 -8.418 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.808 11.762 -8.733 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.501 12.788 -10.431 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.149 13.275 -10.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.509 11.369 -12.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.759 10.949 -11.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.162 10.477 -10.676 1.00 0.00 H new ATOM 1172 N PRO A 77 3.324 9.701 -4.805 1.00 0.00 N ATOM 1173 CA PRO A 77 3.855 9.317 -3.508 1.00 0.00 C ATOM 1174 C PRO A 77 3.185 10.084 -2.364 1.00 0.00 C ATOM 1175 O PRO A 77 2.681 11.193 -2.569 1.00 0.00 O ATOM 1176 CB PRO A 77 5.371 9.524 -3.593 1.00 0.00 C ATOM 1177 CG PRO A 77 5.622 10.308 -4.887 1.00 0.00 C ATOM 1178 CD PRO A 77 4.324 10.243 -5.687 1.00 0.00 C ATOM 0 HA PRO A 77 3.639 8.274 -3.275 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.738 10.074 -2.727 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.894 8.568 -3.609 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.893 11.341 -4.669 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.448 9.874 -5.450 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.035 11.234 -6.038 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.444 9.615 -6.570 1.00 0.00 H new ATOM 1186 N ILE A 78 3.236 9.536 -1.149 1.00 0.00 N ATOM 1187 CA ILE A 78 2.872 10.243 0.082 1.00 0.00 C ATOM 1188 C ILE A 78 4.176 10.667 0.751 1.00 0.00 C ATOM 1189 O ILE A 78 5.116 9.871 0.771 1.00 0.00 O ATOM 1190 CB ILE A 78 1.990 9.388 1.027 1.00 0.00 C ATOM 1191 CG1 ILE A 78 2.726 8.155 1.594 1.00 0.00 C ATOM 1192 CG2 ILE A 78 0.713 8.956 0.293 1.00 0.00 C ATOM 1193 CD1 ILE A 78 1.861 7.236 2.457 1.00 0.00 C ATOM 0 H ILE A 78 3.536 8.574 -0.989 1.00 0.00 H new ATOM 0 HA ILE A 78 2.259 11.112 -0.157 1.00 0.00 H new ATOM 0 HB ILE A 78 1.736 10.015 1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.130 7.576 0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.574 8.496 2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.095 8.355 0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.156 9.840 -0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.979 8.366 -0.584 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.461 6.398 2.811 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.477 7.794 3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.027 6.860 1.865 1.00 0.00 H new