USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 488 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 77 LYS NZ :NH3+ -167:sc= 0.658 (180deg=0) USER MOD Set 1.2: A 79 SER OG : rot -160:sc= 0.612 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 163:sc=-0.00688 (180deg=-0.184) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -114:sc= 0.108 (180deg=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.903 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -135:sc= 0 USER MOD Single : A 59 THR OG1 : rot -5:sc= -0.0683 USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0405) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 132 N GLU A 12 -6.238 6.556 -9.550 1.00 0.00 N ATOM 133 CA GLU A 12 -4.989 6.817 -8.845 1.00 0.00 C ATOM 134 C GLU A 12 -5.023 6.224 -7.439 1.00 0.00 C ATOM 135 O GLU A 12 -4.500 6.812 -6.493 1.00 0.00 O ATOM 136 CB GLU A 12 -4.726 8.323 -8.768 1.00 0.00 C ATOM 137 CG GLU A 12 -4.543 8.978 -10.127 1.00 0.00 C ATOM 138 CD GLU A 12 -5.854 9.443 -10.731 1.00 0.00 C ATOM 139 OE1 GLU A 12 -6.447 10.404 -10.198 1.00 0.00 O ATOM 140 OE2 GLU A 12 -6.287 8.844 -11.738 1.00 0.00 O ATOM 0 HA GLU A 12 -4.182 6.342 -9.402 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.557 8.803 -8.252 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.834 8.497 -8.167 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.870 9.830 -10.028 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.065 8.271 -10.805 1.00 0.00 H new ATOM 147 N ILE A 13 -5.643 5.055 -7.312 1.00 0.00 N ATOM 148 CA ILE A 13 -5.745 4.382 -6.023 1.00 0.00 C ATOM 149 C ILE A 13 -5.413 2.899 -6.150 1.00 0.00 C ATOM 150 O ILE A 13 -5.707 2.272 -7.168 1.00 0.00 O ATOM 151 CB ILE A 13 -7.154 4.532 -5.420 1.00 0.00 C ATOM 152 CG1 ILE A 13 -7.689 5.944 -5.663 1.00 0.00 C ATOM 153 CG2 ILE A 13 -7.129 4.218 -3.931 1.00 0.00 C ATOM 154 CD1 ILE A 13 -7.129 6.975 -4.708 1.00 0.00 C ATOM 0 H ILE A 13 -6.082 4.555 -8.085 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.023 4.858 -5.360 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.820 3.822 -5.910 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.454 6.242 -6.685 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.775 5.932 -5.576 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.132 4.328 -3.519 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.786 3.194 -3.781 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.451 4.906 -3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.552 7.953 -4.939 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.386 6.701 -3.685 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.045 7.015 -4.811 1.00 0.00 H new ATOM 166 N ILE A 14 -4.801 2.344 -5.109 1.00 0.00 N ATOM 167 CA ILE A 14 -4.432 0.934 -5.103 1.00 0.00 C ATOM 168 C ILE A 14 -4.498 0.355 -3.694 1.00 0.00 C ATOM 169 O ILE A 14 -3.931 0.913 -2.756 1.00 0.00 O ATOM 170 CB ILE A 14 -3.016 0.720 -5.668 1.00 0.00 C ATOM 171 CG1 ILE A 14 -2.695 1.786 -6.717 1.00 0.00 C ATOM 172 CG2 ILE A 14 -2.889 -0.673 -6.265 1.00 0.00 C ATOM 173 CD1 ILE A 14 -1.236 1.824 -7.114 1.00 0.00 C ATOM 0 H ILE A 14 -4.550 2.849 -4.259 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.150 0.417 -5.740 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.298 0.812 -4.853 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.300 1.604 -7.605 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.983 2.763 -6.330 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.882 -0.809 -6.660 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.080 -1.418 -5.493 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.614 -0.791 -7.070 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.082 2.603 -7.861 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.626 2.037 -6.236 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.947 0.859 -7.531 1.00 0.00 H new ATOM 185 N GLU A 15 -5.193 -0.770 -3.554 1.00 0.00 N ATOM 186 CA GLU A 15 -5.332 -1.426 -2.259 1.00 0.00 C ATOM 187 C GLU A 15 -4.669 -2.800 -2.271 1.00 0.00 C ATOM 188 O GLU A 15 -4.909 -3.609 -3.167 1.00 0.00 O ATOM 189 CB GLU A 15 -6.810 -1.564 -1.888 1.00 0.00 C ATOM 190 CG GLU A 15 -7.048 -2.380 -0.629 1.00 0.00 C ATOM 191 CD GLU A 15 -8.501 -2.778 -0.457 1.00 0.00 C ATOM 192 OE1 GLU A 15 -9.381 -1.915 -0.659 1.00 0.00 O ATOM 193 OE2 GLU A 15 -8.758 -3.953 -0.122 1.00 0.00 O ATOM 0 H GLU A 15 -5.668 -1.246 -4.321 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.834 -0.808 -1.512 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.236 -0.570 -1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.342 -2.029 -2.718 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.431 -3.278 -0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.728 -1.803 0.239 1.00 0.00 H new ATOM 200 N GLY A 16 -3.833 -3.056 -1.270 1.00 0.00 N ATOM 201 CA GLY A 16 -3.147 -4.332 -1.184 1.00 0.00 C ATOM 202 C GLY A 16 -2.863 -4.743 0.248 1.00 0.00 C ATOM 203 O GLY A 16 -2.857 -3.906 1.150 1.00 0.00 O ATOM 0 H GLY A 16 -3.618 -2.403 -0.517 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.753 -5.100 -1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.208 -4.274 -1.735 1.00 0.00 H new ATOM 207 N GLU A 17 -2.629 -6.034 0.456 1.00 0.00 N ATOM 208 CA GLU A 17 -2.345 -6.553 1.789 1.00 0.00 C ATOM 209 C GLU A 17 -0.885 -6.319 2.165 1.00 0.00 C ATOM 210 O GLU A 17 0.011 -7.010 1.681 1.00 0.00 O ATOM 211 CB GLU A 17 -2.667 -8.048 1.857 1.00 0.00 C ATOM 212 CG GLU A 17 -2.372 -8.672 3.211 1.00 0.00 C ATOM 213 CD GLU A 17 -2.930 -10.076 3.340 1.00 0.00 C ATOM 214 OE1 GLU A 17 -2.785 -10.862 2.380 1.00 0.00 O ATOM 215 OE2 GLU A 17 -3.512 -10.389 4.399 1.00 0.00 O ATOM 0 H GLU A 17 -2.630 -6.740 -0.280 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.975 -6.019 2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.721 -8.196 1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.092 -8.570 1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.294 -8.698 3.368 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.793 -8.044 3.996 1.00 0.00 H new ATOM 222 N VAL A 18 -0.654 -5.337 3.031 1.00 0.00 N ATOM 223 CA VAL A 18 0.696 -5.011 3.474 1.00 0.00 C ATOM 224 C VAL A 18 1.498 -6.273 3.770 1.00 0.00 C ATOM 225 O VAL A 18 1.056 -7.140 4.524 1.00 0.00 O ATOM 226 CB VAL A 18 0.675 -4.122 4.732 1.00 0.00 C ATOM 227 CG1 VAL A 18 2.090 -3.740 5.140 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.173 -2.882 4.494 1.00 0.00 C ATOM 0 H VAL A 18 -1.384 -4.754 3.439 1.00 0.00 H new ATOM 0 HA VAL A 18 1.172 -4.465 2.660 1.00 0.00 H new ATOM 0 HB VAL A 18 0.228 -4.689 5.549 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.055 -3.112 6.030 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.663 -4.642 5.354 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.567 -3.192 4.328 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.177 -2.266 5.393 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.243 -2.311 3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.194 -3.180 4.254 1.00 0.00 H new ATOM 238 N VAL A 19 2.682 -6.370 3.172 1.00 0.00 N ATOM 239 CA VAL A 19 3.547 -7.526 3.373 1.00 0.00 C ATOM 240 C VAL A 19 4.792 -7.149 4.168 1.00 0.00 C ATOM 241 O VAL A 19 5.141 -7.813 5.143 1.00 0.00 O ATOM 242 CB VAL A 19 3.978 -8.145 2.029 1.00 0.00 C ATOM 243 CG1 VAL A 19 4.904 -9.329 2.259 1.00 0.00 C ATOM 244 CG2 VAL A 19 2.759 -8.560 1.219 1.00 0.00 C ATOM 0 H VAL A 19 3.063 -5.662 2.545 1.00 0.00 H new ATOM 0 HA VAL A 19 2.969 -8.260 3.934 1.00 0.00 H new ATOM 0 HB VAL A 19 4.525 -7.393 1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.198 -9.753 1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.792 -8.997 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.386 -10.087 2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.082 -8.995 0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.183 -9.296 1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.138 -7.686 1.023 1.00 0.00 H new ATOM 254 N GLU A 20 5.456 -6.079 3.745 1.00 0.00 N ATOM 255 CA GLU A 20 6.663 -5.614 4.419 1.00 0.00 C ATOM 256 C GLU A 20 6.797 -4.097 4.311 1.00 0.00 C ATOM 257 O GLU A 20 6.557 -3.517 3.252 1.00 0.00 O ATOM 258 CB GLU A 20 7.900 -6.289 3.822 1.00 0.00 C ATOM 259 CG GLU A 20 9.210 -5.765 4.384 1.00 0.00 C ATOM 260 CD GLU A 20 10.420 -6.312 3.651 1.00 0.00 C ATOM 261 OE1 GLU A 20 10.692 -5.848 2.525 1.00 0.00 O ATOM 262 OE2 GLU A 20 11.094 -7.206 4.205 1.00 0.00 O ATOM 0 H GLU A 20 5.179 -5.518 2.939 1.00 0.00 H new ATOM 0 HA GLU A 20 6.585 -5.881 5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.840 -7.362 4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.895 -6.147 2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.216 -4.677 4.326 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.279 -6.028 5.439 1.00 0.00 H new ATOM 269 N ILE A 21 7.180 -3.463 5.414 1.00 0.00 N ATOM 270 CA ILE A 21 7.345 -2.015 5.443 1.00 0.00 C ATOM 271 C ILE A 21 8.731 -1.631 5.951 1.00 0.00 C ATOM 272 O ILE A 21 8.958 -1.544 7.157 1.00 0.00 O ATOM 273 CB ILE A 21 6.281 -1.345 6.332 1.00 0.00 C ATOM 274 CG1 ILE A 21 4.877 -1.668 5.816 1.00 0.00 C ATOM 275 CG2 ILE A 21 6.501 0.160 6.378 1.00 0.00 C ATOM 276 CD1 ILE A 21 3.790 -1.442 6.843 1.00 0.00 C ATOM 0 H ILE A 21 7.382 -3.929 6.299 1.00 0.00 H new ATOM 0 HA ILE A 21 7.225 -1.662 4.419 1.00 0.00 H new ATOM 0 HB ILE A 21 6.375 -1.738 7.345 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.671 -1.054 4.939 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.848 -2.708 5.491 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.741 0.620 7.010 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.489 0.371 6.787 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.430 0.569 5.370 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.822 -1.691 6.409 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.972 -2.076 7.711 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.792 -0.396 7.150 1.00 0.00 H new ATOM 288 N GLN A 22 9.653 -1.401 5.022 1.00 0.00 N ATOM 289 CA GLN A 22 11.016 -1.025 5.376 1.00 0.00 C ATOM 290 C GLN A 22 11.133 0.484 5.563 1.00 0.00 C ATOM 291 O GLN A 22 10.445 1.258 4.896 1.00 0.00 O ATOM 292 CB GLN A 22 11.994 -1.493 4.296 1.00 0.00 C ATOM 293 CG GLN A 22 13.453 -1.275 4.661 1.00 0.00 C ATOM 294 CD GLN A 22 14.404 -1.808 3.607 1.00 0.00 C ATOM 295 OE1 GLN A 22 13.989 -2.170 2.506 1.00 0.00 O ATOM 296 NE2 GLN A 22 15.689 -1.858 3.940 1.00 0.00 N ATOM 0 H GLN A 22 9.481 -1.468 4.019 1.00 0.00 H new ATOM 0 HA GLN A 22 11.266 -1.511 6.319 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.831 -2.554 4.104 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.777 -0.964 3.368 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.633 -0.209 4.802 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.662 -1.762 5.613 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.989 -1.547 4.864 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.376 -2.207 3.272 1.00 0.00 H new ATOM 305 N ILE A 23 12.007 0.896 6.475 1.00 0.00 N ATOM 306 CA ILE A 23 12.214 2.313 6.749 1.00 0.00 C ATOM 307 C ILE A 23 13.695 2.628 6.929 1.00 0.00 C ATOM 308 O ILE A 23 14.357 2.072 7.806 1.00 0.00 O ATOM 309 CB ILE A 23 11.449 2.760 8.009 1.00 0.00 C ATOM 310 CG1 ILE A 23 9.970 2.387 7.894 1.00 0.00 C ATOM 311 CG2 ILE A 23 11.608 4.258 8.222 1.00 0.00 C ATOM 312 CD1 ILE A 23 9.160 3.373 7.081 1.00 0.00 C ATOM 0 H ILE A 23 12.583 0.269 7.037 1.00 0.00 H new ATOM 0 HA ILE A 23 11.831 2.860 5.888 1.00 0.00 H new ATOM 0 HB ILE A 23 11.868 2.243 8.872 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.887 1.399 7.440 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.543 2.315 8.894 1.00 0.00 H new ATOM 0 HG21 ILE A 23 11.062 4.558 9.116 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.664 4.498 8.344 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.212 4.792 7.358 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.121 3.045 7.042 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.213 4.358 7.546 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.562 3.427 6.069 1.00 0.00 H new ATOM 437 N LYS A 33 13.633 11.277 4.768 1.00 0.00 N ATOM 438 CA LYS A 33 13.035 9.998 5.133 1.00 0.00 C ATOM 439 C LYS A 33 12.690 9.185 3.890 1.00 0.00 C ATOM 440 O LYS A 33 12.154 9.715 2.918 1.00 0.00 O ATOM 441 CB LYS A 33 11.777 10.222 5.975 1.00 0.00 C ATOM 442 CG LYS A 33 12.050 10.894 7.310 1.00 0.00 C ATOM 443 CD LYS A 33 10.919 10.655 8.296 1.00 0.00 C ATOM 444 CE LYS A 33 11.031 11.571 9.505 1.00 0.00 C ATOM 445 NZ LYS A 33 10.336 12.869 9.284 1.00 0.00 N ATOM 0 HA LYS A 33 13.763 9.439 5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.074 10.832 5.408 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.294 9.261 6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 33 12.983 10.514 7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.182 11.965 7.159 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.962 10.820 7.801 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.934 9.615 8.623 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.605 11.075 10.377 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.083 11.755 9.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.436 13.465 10.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.759 13.355 8.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.327 12.696 9.099 1.00 0.00 H new ATOM 459 N VAL A 34 12.999 7.892 3.930 1.00 0.00 N ATOM 460 CA VAL A 34 12.719 7.005 2.807 1.00 0.00 C ATOM 461 C VAL A 34 12.396 5.595 3.289 1.00 0.00 C ATOM 462 O VAL A 34 12.883 5.157 4.330 1.00 0.00 O ATOM 463 CB VAL A 34 13.909 6.942 1.831 1.00 0.00 C ATOM 464 CG1 VAL A 34 14.258 8.333 1.324 1.00 0.00 C ATOM 465 CG2 VAL A 34 15.111 6.291 2.498 1.00 0.00 C ATOM 0 H VAL A 34 13.443 7.436 4.727 1.00 0.00 H new ATOM 0 HA VAL A 34 11.854 7.416 2.287 1.00 0.00 H new ATOM 0 HB VAL A 34 13.623 6.331 0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.101 8.269 0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.398 8.758 0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 34 14.525 8.971 2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.942 6.255 1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 34 15.401 6.873 3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.852 5.278 2.806 1.00 0.00 H new ATOM 475 N GLY A 35 11.571 4.888 2.523 1.00 0.00 N ATOM 476 CA GLY A 35 11.197 3.534 2.888 1.00 0.00 C ATOM 477 C GLY A 35 10.673 2.739 1.708 1.00 0.00 C ATOM 478 O GLY A 35 10.390 3.299 0.649 1.00 0.00 O ATOM 0 H GLY A 35 11.155 5.229 1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.062 3.023 3.311 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.435 3.568 3.666 1.00 0.00 H new ATOM 482 N LYS A 36 10.543 1.429 1.890 1.00 0.00 N ATOM 483 CA LYS A 36 10.050 0.555 0.833 1.00 0.00 C ATOM 484 C LYS A 36 8.878 -0.287 1.326 1.00 0.00 C ATOM 485 O LYS A 36 9.015 -1.069 2.268 1.00 0.00 O ATOM 486 CB LYS A 36 11.172 -0.357 0.332 1.00 0.00 C ATOM 487 CG LYS A 36 10.924 -0.919 -1.057 1.00 0.00 C ATOM 488 CD LYS A 36 11.422 0.026 -2.138 1.00 0.00 C ATOM 489 CE LYS A 36 12.905 -0.172 -2.412 1.00 0.00 C ATOM 490 NZ LYS A 36 13.172 -1.452 -3.124 1.00 0.00 N ATOM 0 H LYS A 36 10.773 0.949 2.760 1.00 0.00 H new ATOM 0 HA LYS A 36 9.704 1.181 0.010 1.00 0.00 H new ATOM 0 HB2 LYS A 36 12.108 0.202 0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.297 -1.183 1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.425 -1.882 -1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.858 -1.099 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.856 -0.138 -3.055 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.242 1.057 -1.833 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.278 0.660 -3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.453 -0.159 -1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.123 -1.424 -3.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.114 -2.242 -2.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.466 -1.585 -3.876 1.00 0.00 H new ATOM 504 N LEU A 37 7.726 -0.124 0.684 1.00 0.00 N ATOM 505 CA LEU A 37 6.530 -0.871 1.056 1.00 0.00 C ATOM 506 C LEU A 37 6.221 -1.953 0.026 1.00 0.00 C ATOM 507 O LEU A 37 6.347 -1.733 -1.179 1.00 0.00 O ATOM 508 CB LEU A 37 5.336 0.075 1.193 1.00 0.00 C ATOM 509 CG LEU A 37 3.953 -0.572 1.101 1.00 0.00 C ATOM 510 CD1 LEU A 37 3.564 -1.190 2.435 1.00 0.00 C ATOM 511 CD2 LEU A 37 2.915 0.450 0.662 1.00 0.00 C ATOM 0 H LEU A 37 7.595 0.519 -0.097 1.00 0.00 H new ATOM 0 HA LEU A 37 6.716 -1.352 2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.412 0.588 2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.411 0.837 0.417 1.00 0.00 H new ATOM 0 HG LEU A 37 3.992 -1.365 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.577 -1.646 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.293 -1.952 2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.542 -0.416 3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.937 -0.028 0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.877 1.264 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.186 0.847 -0.316 1.00 0.00 H new ATOM 523 N THR A 38 5.813 -3.123 0.509 1.00 0.00 N ATOM 524 CA THR A 38 5.484 -4.239 -0.369 1.00 0.00 C ATOM 525 C THR A 38 4.094 -4.786 -0.066 1.00 0.00 C ATOM 526 O THR A 38 3.822 -5.238 1.047 1.00 0.00 O ATOM 527 CB THR A 38 6.512 -5.379 -0.238 1.00 0.00 C ATOM 528 OG1 THR A 38 7.824 -4.892 -0.540 1.00 0.00 O ATOM 529 CG2 THR A 38 6.165 -6.530 -1.170 1.00 0.00 C ATOM 0 H THR A 38 5.703 -3.322 1.503 1.00 0.00 H new ATOM 0 HA THR A 38 5.506 -3.855 -1.389 1.00 0.00 H new ATOM 0 HB THR A 38 6.488 -5.744 0.789 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.472 -5.622 -0.453 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.905 -7.323 -1.060 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.178 -6.917 -0.918 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.164 -6.176 -2.201 1.00 0.00 H new ATOM 537 N LEU A 39 3.216 -4.744 -1.063 1.00 0.00 N ATOM 538 CA LEU A 39 1.853 -5.237 -0.903 1.00 0.00 C ATOM 539 C LEU A 39 1.640 -6.520 -1.700 1.00 0.00 C ATOM 540 O LEU A 39 2.188 -6.684 -2.790 1.00 0.00 O ATOM 541 CB LEU A 39 0.849 -4.173 -1.350 1.00 0.00 C ATOM 542 CG LEU A 39 0.324 -3.243 -0.255 1.00 0.00 C ATOM 543 CD1 LEU A 39 1.479 -2.624 0.518 1.00 0.00 C ATOM 544 CD2 LEU A 39 -0.560 -2.160 -0.855 1.00 0.00 C ATOM 0 H LEU A 39 3.424 -4.374 -1.990 1.00 0.00 H new ATOM 0 HA LEU A 39 1.695 -5.457 0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.316 -3.563 -2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.002 -4.675 -1.811 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.277 -3.831 0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.087 -1.965 1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.073 -3.413 0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.106 -2.049 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.925 -1.507 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.017 -1.574 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.407 -2.622 -1.363 1.00 0.00 H new ATOM 556 N LYS A 40 0.840 -7.427 -1.150 1.00 0.00 N ATOM 557 CA LYS A 40 0.551 -8.694 -1.810 1.00 0.00 C ATOM 558 C LYS A 40 -0.674 -8.571 -2.711 1.00 0.00 C ATOM 559 O LYS A 40 -1.811 -8.621 -2.241 1.00 0.00 O ATOM 560 CB LYS A 40 0.325 -9.794 -0.771 1.00 0.00 C ATOM 561 CG LYS A 40 0.231 -11.187 -1.370 1.00 0.00 C ATOM 562 CD LYS A 40 0.110 -12.251 -0.292 1.00 0.00 C ATOM 563 CE LYS A 40 -1.328 -12.408 0.178 1.00 0.00 C ATOM 564 NZ LYS A 40 -1.438 -13.357 1.320 1.00 0.00 N ATOM 0 H LYS A 40 0.380 -7.308 -0.248 1.00 0.00 H new ATOM 0 HA LYS A 40 1.410 -8.957 -2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.141 -9.773 -0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.592 -9.581 -0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.632 -11.241 -2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.114 -11.383 -1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.474 -13.204 -0.677 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.744 -11.986 0.555 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.721 -11.436 0.475 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.944 -12.762 -0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.972 -14.198 1.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.486 -13.642 1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.933 -12.895 2.109 1.00 0.00 H new ATOM 621 N MET A 44 0.366 -11.983 -6.927 1.00 0.00 N ATOM 622 CA MET A 44 1.509 -11.173 -7.334 1.00 0.00 C ATOM 623 C MET A 44 1.861 -10.150 -6.259 1.00 0.00 C ATOM 624 O MET A 44 0.990 -9.685 -5.525 1.00 0.00 O ATOM 625 CB MET A 44 1.212 -10.461 -8.655 1.00 0.00 C ATOM 626 CG MET A 44 1.901 -9.112 -8.786 1.00 0.00 C ATOM 627 SD MET A 44 1.812 -8.447 -10.460 1.00 0.00 S ATOM 628 CE MET A 44 0.301 -7.491 -10.365 1.00 0.00 C ATOM 0 HA MET A 44 2.362 -11.837 -7.471 1.00 0.00 H new ATOM 0 HB2 MET A 44 1.523 -11.101 -9.481 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.135 -10.321 -8.749 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.443 -8.406 -8.094 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.946 -9.212 -8.494 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.109 -7.017 -11.327 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.531 -8.149 -10.113 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.403 -6.725 -9.597 1.00 0.00 H new ATOM 638 N GLU A 45 3.142 -9.806 -6.173 1.00 0.00 N ATOM 639 CA GLU A 45 3.608 -8.838 -5.186 1.00 0.00 C ATOM 640 C GLU A 45 3.956 -7.509 -5.850 1.00 0.00 C ATOM 641 O GLU A 45 4.564 -7.476 -6.920 1.00 0.00 O ATOM 642 CB GLU A 45 4.828 -9.384 -4.441 1.00 0.00 C ATOM 643 CG GLU A 45 4.478 -10.121 -3.159 1.00 0.00 C ATOM 644 CD GLU A 45 5.460 -11.231 -2.839 1.00 0.00 C ATOM 645 OE1 GLU A 45 5.399 -12.288 -3.502 1.00 0.00 O ATOM 646 OE2 GLU A 45 6.290 -11.043 -1.924 1.00 0.00 O ATOM 0 H GLU A 45 3.875 -10.183 -6.774 1.00 0.00 H new ATOM 0 HA GLU A 45 2.802 -8.667 -4.472 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.374 -10.058 -5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.498 -8.558 -4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.454 -9.412 -2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.476 -10.541 -3.248 1.00 0.00 H new ATOM 653 N THR A 46 3.565 -6.413 -5.206 1.00 0.00 N ATOM 654 CA THR A 46 3.833 -5.081 -5.733 1.00 0.00 C ATOM 655 C THR A 46 4.603 -4.235 -4.725 1.00 0.00 C ATOM 656 O THR A 46 4.286 -4.230 -3.535 1.00 0.00 O ATOM 657 CB THR A 46 2.529 -4.352 -6.108 1.00 0.00 C ATOM 658 OG1 THR A 46 1.744 -5.171 -6.982 1.00 0.00 O ATOM 659 CG2 THR A 46 2.827 -3.022 -6.784 1.00 0.00 C ATOM 0 H THR A 46 3.062 -6.422 -4.319 1.00 0.00 H new ATOM 0 HA THR A 46 4.438 -5.212 -6.630 1.00 0.00 H new ATOM 0 HB THR A 46 1.971 -4.159 -5.192 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.916 -4.701 -7.214 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.891 -2.526 -7.039 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.400 -2.389 -6.106 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.404 -3.197 -7.692 1.00 0.00 H new ATOM 667 N ILE A 47 5.614 -3.522 -5.208 1.00 0.00 N ATOM 668 CA ILE A 47 6.427 -2.671 -4.348 1.00 0.00 C ATOM 669 C ILE A 47 6.186 -1.195 -4.648 1.00 0.00 C ATOM 670 O ILE A 47 6.195 -0.777 -5.806 1.00 0.00 O ATOM 671 CB ILE A 47 7.928 -2.977 -4.509 1.00 0.00 C ATOM 672 CG1 ILE A 47 8.195 -4.466 -4.274 1.00 0.00 C ATOM 673 CG2 ILE A 47 8.748 -2.129 -3.549 1.00 0.00 C ATOM 674 CD1 ILE A 47 9.470 -4.960 -4.920 1.00 0.00 C ATOM 0 H ILE A 47 5.890 -3.516 -6.190 1.00 0.00 H new ATOM 0 HA ILE A 47 6.129 -2.884 -3.321 1.00 0.00 H new ATOM 0 HB ILE A 47 8.227 -2.729 -5.528 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.245 -4.653 -3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.355 -5.043 -4.660 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.806 -2.357 -3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.577 -1.073 -3.759 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.449 -2.348 -2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.595 -6.023 -4.712 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.416 -4.805 -5.998 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.320 -4.409 -4.516 1.00 0.00 H new ATOM 686 N TYR A 48 5.972 -0.411 -3.597 1.00 0.00 N ATOM 687 CA TYR A 48 5.728 1.019 -3.748 1.00 0.00 C ATOM 688 C TYR A 48 6.807 1.833 -3.040 1.00 0.00 C ATOM 689 O TYR A 48 7.185 1.532 -1.907 1.00 0.00 O ATOM 690 CB TYR A 48 4.351 1.383 -3.192 1.00 0.00 C ATOM 691 CG TYR A 48 3.213 0.648 -3.863 1.00 0.00 C ATOM 692 CD1 TYR A 48 2.646 1.128 -5.037 1.00 0.00 C ATOM 693 CD2 TYR A 48 2.704 -0.527 -3.323 1.00 0.00 C ATOM 694 CE1 TYR A 48 1.606 0.460 -5.654 1.00 0.00 C ATOM 695 CE2 TYR A 48 1.665 -1.202 -3.933 1.00 0.00 C ATOM 696 CZ TYR A 48 1.119 -0.705 -5.098 1.00 0.00 C ATOM 697 OH TYR A 48 0.083 -1.374 -5.708 1.00 0.00 O ATOM 0 H TYR A 48 5.963 -0.741 -2.632 1.00 0.00 H new ATOM 0 HA TYR A 48 5.758 1.258 -4.811 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.331 1.168 -2.124 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.195 2.456 -3.304 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.025 2.040 -5.475 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.128 -0.919 -2.411 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.177 0.847 -6.566 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.282 -2.114 -3.500 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.139 -2.175 -5.189 1.00 0.00 H new ATOM 707 N ASP A 49 7.298 2.866 -3.715 1.00 0.00 N ATOM 708 CA ASP A 49 8.332 3.726 -3.152 1.00 0.00 C ATOM 709 C ASP A 49 7.746 4.662 -2.099 1.00 0.00 C ATOM 710 O ASP A 49 6.839 5.445 -2.384 1.00 0.00 O ATOM 711 CB ASP A 49 9.005 4.541 -4.257 1.00 0.00 C ATOM 712 CG ASP A 49 8.031 5.447 -4.984 1.00 0.00 C ATOM 713 OD1 ASP A 49 6.921 4.981 -5.316 1.00 0.00 O ATOM 714 OD2 ASP A 49 8.379 6.623 -5.221 1.00 0.00 O ATOM 0 H ASP A 49 6.996 3.128 -4.653 1.00 0.00 H new ATOM 0 HA ASP A 49 9.078 3.091 -2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.804 5.144 -3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.469 3.863 -4.973 1.00 0.00 H new ATOM 719 N LEU A 50 8.268 4.574 -0.881 1.00 0.00 N ATOM 720 CA LEU A 50 7.797 5.411 0.217 1.00 0.00 C ATOM 721 C LEU A 50 8.683 6.642 0.382 1.00 0.00 C ATOM 722 O LEU A 50 9.899 6.528 0.530 1.00 0.00 O ATOM 723 CB LEU A 50 7.768 4.611 1.520 1.00 0.00 C ATOM 724 CG LEU A 50 6.987 3.297 1.483 1.00 0.00 C ATOM 725 CD1 LEU A 50 7.212 2.506 2.763 1.00 0.00 C ATOM 726 CD2 LEU A 50 5.504 3.564 1.273 1.00 0.00 C ATOM 0 H LEU A 50 9.018 3.931 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 50 6.786 5.742 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.795 4.392 1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.343 5.242 2.301 1.00 0.00 H new ATOM 0 HG LEU A 50 7.351 2.703 0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.648 1.574 2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.274 2.283 2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.876 3.093 3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.964 2.618 1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.125 4.178 2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.359 4.088 0.329 1.00 0.00 H new ATOM 738 N GLY A 51 8.064 7.818 0.358 1.00 0.00 N ATOM 739 CA GLY A 51 8.811 9.053 0.509 1.00 0.00 C ATOM 740 C GLY A 51 8.764 9.590 1.925 1.00 0.00 C ATOM 741 O GLY A 51 9.065 8.873 2.880 1.00 0.00 O ATOM 0 H GLY A 51 7.058 7.938 0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.849 8.883 0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.410 9.802 -0.174 1.00 0.00 H new ATOM 745 N THR A 52 8.387 10.858 2.064 1.00 0.00 N ATOM 746 CA THR A 52 8.305 11.491 3.374 1.00 0.00 C ATOM 747 C THR A 52 6.864 11.545 3.869 1.00 0.00 C ATOM 748 O THR A 52 6.501 10.866 4.830 1.00 0.00 O ATOM 749 CB THR A 52 8.879 12.921 3.343 1.00 0.00 C ATOM 750 OG1 THR A 52 10.149 12.924 2.681 1.00 0.00 O ATOM 751 CG2 THR A 52 9.034 13.472 4.753 1.00 0.00 C ATOM 0 H THR A 52 8.134 11.466 1.285 1.00 0.00 H new ATOM 0 HA THR A 52 8.898 10.883 4.057 1.00 0.00 H new ATOM 0 HB THR A 52 8.183 13.557 2.796 1.00 0.00 H new ATOM 0 HG1 THR A 52 10.507 13.836 2.664 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.441 14.482 4.706 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.061 13.495 5.244 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.712 12.834 5.320 1.00 0.00 H new ATOM 759 N LYS A 53 6.046 12.356 3.207 1.00 0.00 N ATOM 760 CA LYS A 53 4.643 12.498 3.578 1.00 0.00 C ATOM 761 C LYS A 53 3.965 11.135 3.673 1.00 0.00 C ATOM 762 O LYS A 53 2.971 10.973 4.381 1.00 0.00 O ATOM 763 CB LYS A 53 3.910 13.373 2.559 1.00 0.00 C ATOM 764 CG LYS A 53 3.639 12.673 1.239 1.00 0.00 C ATOM 765 CD LYS A 53 4.779 12.876 0.255 1.00 0.00 C ATOM 766 CE LYS A 53 4.922 14.338 -0.139 1.00 0.00 C ATOM 767 NZ LYS A 53 5.751 14.504 -1.364 1.00 0.00 N ATOM 0 H LYS A 53 6.331 12.925 2.410 1.00 0.00 H new ATOM 0 HA LYS A 53 4.599 12.976 4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.963 13.700 2.988 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.501 14.269 2.371 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.494 11.607 1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.713 13.054 0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.711 12.525 0.699 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.603 12.273 -0.636 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.934 14.767 -0.308 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.374 14.893 0.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.824 15.514 -1.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.702 14.118 -1.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.307 13.996 -2.155 1.00 0.00 H new ATOM 781 N MET A 54 4.510 10.157 2.956 1.00 0.00 N ATOM 782 CA MET A 54 3.958 8.807 2.963 1.00 0.00 C ATOM 783 C MET A 54 4.234 8.113 4.293 1.00 0.00 C ATOM 784 O MET A 54 3.342 7.499 4.880 1.00 0.00 O ATOM 785 CB MET A 54 4.549 7.986 1.815 1.00 0.00 C ATOM 786 CG MET A 54 3.828 8.186 0.491 1.00 0.00 C ATOM 787 SD MET A 54 4.205 6.893 -0.707 1.00 0.00 S ATOM 788 CE MET A 54 2.810 7.046 -1.821 1.00 0.00 C ATOM 0 H MET A 54 5.332 10.274 2.364 1.00 0.00 H new ATOM 0 HA MET A 54 2.879 8.882 2.830 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.599 8.252 1.692 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.517 6.929 2.081 1.00 0.00 H new ATOM 0 HG2 MET A 54 2.753 8.210 0.667 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.104 9.154 0.074 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.900 6.310 -2.620 1.00 0.00 H new ATOM 0 HE2 MET A 54 1.885 6.874 -1.271 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.796 8.048 -2.251 1.00 0.00 H new ATOM 798 N ILE A 55 5.472 8.216 4.763 1.00 0.00 N ATOM 799 CA ILE A 55 5.864 7.599 6.025 1.00 0.00 C ATOM 800 C ILE A 55 5.027 8.135 7.182 1.00 0.00 C ATOM 801 O ILE A 55 4.576 7.375 8.038 1.00 0.00 O ATOM 802 CB ILE A 55 7.354 7.837 6.329 1.00 0.00 C ATOM 803 CG1 ILE A 55 8.229 7.114 5.303 1.00 0.00 C ATOM 804 CG2 ILE A 55 7.688 7.373 7.739 1.00 0.00 C ATOM 805 CD1 ILE A 55 9.676 7.556 5.325 1.00 0.00 C ATOM 0 H ILE A 55 6.221 8.721 4.289 1.00 0.00 H new ATOM 0 HA ILE A 55 5.691 6.528 5.920 1.00 0.00 H new ATOM 0 HB ILE A 55 7.557 8.906 6.262 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.182 6.041 5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.821 7.283 4.306 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.745 7.548 7.939 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.086 7.929 8.457 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.472 6.309 7.832 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.237 7.002 4.572 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.734 8.623 5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.101 7.362 6.310 1.00 0.00 H new ATOM 817 N GLU A 56 4.824 9.448 7.199 1.00 0.00 N ATOM 818 CA GLU A 56 4.041 10.086 8.251 1.00 0.00 C ATOM 819 C GLU A 56 2.715 9.359 8.457 1.00 0.00 C ATOM 820 O GLU A 56 2.206 9.279 9.575 1.00 0.00 O ATOM 821 CB GLU A 56 3.782 11.554 7.906 1.00 0.00 C ATOM 822 CG GLU A 56 5.038 12.409 7.908 1.00 0.00 C ATOM 823 CD GLU A 56 4.732 13.894 7.881 1.00 0.00 C ATOM 824 OE1 GLU A 56 4.314 14.396 6.817 1.00 0.00 O ATOM 825 OE2 GLU A 56 4.912 14.555 8.926 1.00 0.00 O ATOM 0 H GLU A 56 5.190 10.091 6.497 1.00 0.00 H new ATOM 0 HA GLU A 56 4.613 10.034 9.177 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.315 11.611 6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.070 11.967 8.621 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.628 12.179 8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.650 12.152 7.043 1.00 0.00 H new ATOM 832 N SER A 57 2.159 8.833 7.370 1.00 0.00 N ATOM 833 CA SER A 57 0.890 8.117 7.430 1.00 0.00 C ATOM 834 C SER A 57 1.065 6.757 8.100 1.00 0.00 C ATOM 835 O SER A 57 0.223 6.327 8.889 1.00 0.00 O ATOM 836 CB SER A 57 0.316 7.936 6.024 1.00 0.00 C ATOM 837 OG SER A 57 -0.389 9.093 5.609 1.00 0.00 O ATOM 0 H SER A 57 2.568 8.889 6.437 1.00 0.00 H new ATOM 0 HA SER A 57 0.194 8.709 8.025 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.123 7.727 5.322 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.351 7.074 6.008 1.00 0.00 H new ATOM 0 HG SER A 57 -1.240 8.829 5.201 1.00 0.00 H new ATOM 843 N LEU A 58 2.164 6.083 7.778 1.00 0.00 N ATOM 844 CA LEU A 58 2.451 4.771 8.347 1.00 0.00 C ATOM 845 C LEU A 58 2.778 4.882 9.833 1.00 0.00 C ATOM 846 O LEU A 58 2.736 3.892 10.565 1.00 0.00 O ATOM 847 CB LEU A 58 3.616 4.115 7.604 1.00 0.00 C ATOM 848 CG LEU A 58 3.462 3.994 6.087 1.00 0.00 C ATOM 849 CD1 LEU A 58 4.321 2.858 5.552 1.00 0.00 C ATOM 850 CD2 LEU A 58 2.002 3.782 5.715 1.00 0.00 C ATOM 0 H LEU A 58 2.871 6.424 7.126 1.00 0.00 H new ATOM 0 HA LEU A 58 1.562 4.151 8.235 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.521 4.685 7.813 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.766 3.117 8.015 1.00 0.00 H new ATOM 0 HG LEU A 58 3.801 4.924 5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.198 2.787 4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.368 3.052 5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.013 1.920 6.014 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.911 3.698 4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.637 2.867 6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.411 4.629 6.064 1.00 0.00 H new ATOM 862 N THR A 59 3.103 6.093 10.273 1.00 0.00 N ATOM 863 CA THR A 59 3.437 6.334 11.672 1.00 0.00 C ATOM 864 C THR A 59 2.203 6.739 12.469 1.00 0.00 C ATOM 865 O THR A 59 1.973 6.245 13.573 1.00 0.00 O ATOM 866 CB THR A 59 4.509 7.431 11.813 1.00 0.00 C ATOM 867 OG1 THR A 59 4.111 8.601 11.090 1.00 0.00 O ATOM 868 CG2 THR A 59 5.854 6.942 11.297 1.00 0.00 C ATOM 0 H THR A 59 3.142 6.923 9.681 1.00 0.00 H new ATOM 0 HA THR A 59 3.832 5.399 12.069 1.00 0.00 H new ATOM 0 HB THR A 59 4.611 7.676 12.870 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.283 8.416 10.599 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.595 7.733 11.407 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.168 6.069 11.869 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.764 6.673 10.245 1.00 0.00 H new ATOM 876 N LYS A 60 1.409 7.643 11.903 1.00 0.00 N ATOM 877 CA LYS A 60 0.196 8.114 12.560 1.00 0.00 C ATOM 878 C LYS A 60 -0.785 6.967 12.780 1.00 0.00 C ATOM 879 O LYS A 60 -1.402 6.860 13.840 1.00 0.00 O ATOM 880 CB LYS A 60 -0.467 9.213 11.726 1.00 0.00 C ATOM 881 CG LYS A 60 -1.738 9.765 12.346 1.00 0.00 C ATOM 882 CD LYS A 60 -2.289 10.932 11.544 1.00 0.00 C ATOM 883 CE LYS A 60 -1.567 12.228 11.880 1.00 0.00 C ATOM 884 NZ LYS A 60 -1.998 12.779 13.194 1.00 0.00 N ATOM 0 H LYS A 60 1.585 8.064 10.991 1.00 0.00 H new ATOM 0 HA LYS A 60 0.475 8.522 13.532 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.242 10.029 11.586 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.698 8.817 10.737 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.488 8.976 12.404 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.535 10.088 13.367 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.188 10.723 10.479 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.354 11.044 11.747 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.492 12.051 11.896 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.758 12.963 11.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.615 13.739 13.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.037 12.813 13.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.643 12.170 13.959 1.00 0.00 H new ATOM 898 N ASP A 61 -0.923 6.112 11.773 1.00 0.00 N ATOM 899 CA ASP A 61 -1.827 4.970 11.858 1.00 0.00 C ATOM 900 C ASP A 61 -1.066 3.700 12.221 1.00 0.00 C ATOM 901 O ASP A 61 -1.631 2.606 12.232 1.00 0.00 O ATOM 902 CB ASP A 61 -2.564 4.777 10.532 1.00 0.00 C ATOM 903 CG ASP A 61 -3.867 5.550 10.475 1.00 0.00 C ATOM 904 OD1 ASP A 61 -4.864 5.075 11.057 1.00 0.00 O ATOM 905 OD2 ASP A 61 -3.889 6.630 9.848 1.00 0.00 O ATOM 0 H ASP A 61 -0.421 6.188 10.888 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.555 5.172 12.644 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.920 5.095 9.712 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.767 3.716 10.384 1.00 0.00 H new ATOM 910 N LYS A 62 0.221 3.851 12.517 1.00 0.00 N ATOM 911 CA LYS A 62 1.062 2.717 12.881 1.00 0.00 C ATOM 912 C LYS A 62 0.749 1.506 12.007 1.00 0.00 C ATOM 913 O LYS A 62 0.492 0.413 12.513 1.00 0.00 O ATOM 914 CB LYS A 62 0.862 2.360 14.355 1.00 0.00 C ATOM 915 CG LYS A 62 1.575 3.302 15.311 1.00 0.00 C ATOM 916 CD LYS A 62 3.079 3.088 15.286 1.00 0.00 C ATOM 917 CE LYS A 62 3.810 4.182 16.049 1.00 0.00 C ATOM 918 NZ LYS A 62 3.609 4.062 17.520 1.00 0.00 N ATOM 0 H LYS A 62 0.705 4.749 12.512 1.00 0.00 H new ATOM 0 HA LYS A 62 2.102 3.001 12.720 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.204 2.366 14.580 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.218 1.344 14.526 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.349 4.334 15.043 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.201 3.146 16.323 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.317 2.118 15.722 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.428 3.068 14.253 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.875 4.133 15.823 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.457 5.157 15.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.123 4.826 18.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.595 4.134 17.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.969 3.142 17.846 1.00 0.00 H new ATOM 932 N VAL A 63 0.775 1.706 10.694 1.00 0.00 N ATOM 933 CA VAL A 63 0.497 0.630 9.750 1.00 0.00 C ATOM 934 C VAL A 63 1.529 -0.485 9.869 1.00 0.00 C ATOM 935 O VAL A 63 2.734 -0.232 9.871 1.00 0.00 O ATOM 936 CB VAL A 63 0.481 1.146 8.299 1.00 0.00 C ATOM 937 CG1 VAL A 63 0.310 -0.008 7.323 1.00 0.00 C ATOM 938 CG2 VAL A 63 -0.620 2.179 8.114 1.00 0.00 C ATOM 0 H VAL A 63 0.986 2.604 10.259 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.489 0.238 9.999 1.00 0.00 H new ATOM 0 HB VAL A 63 1.437 1.626 8.092 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.301 0.376 6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.137 -0.709 7.440 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.631 -0.520 7.526 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.617 2.533 7.083 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.585 1.726 8.339 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.447 3.019 8.787 1.00 0.00 H new ATOM 948 N GLN A 64 1.049 -1.721 9.969 1.00 0.00 N ATOM 949 CA GLN A 64 1.931 -2.875 10.090 1.00 0.00 C ATOM 950 C GLN A 64 1.541 -3.964 9.095 1.00 0.00 C ATOM 951 O GLN A 64 0.506 -3.874 8.436 1.00 0.00 O ATOM 952 CB GLN A 64 1.887 -3.431 11.514 1.00 0.00 C ATOM 953 CG GLN A 64 2.706 -2.623 12.508 1.00 0.00 C ATOM 954 CD GLN A 64 2.784 -3.281 13.871 1.00 0.00 C ATOM 955 OE1 GLN A 64 2.011 -2.958 14.774 1.00 0.00 O ATOM 956 NE2 GLN A 64 3.720 -4.210 14.028 1.00 0.00 N ATOM 0 H GLN A 64 0.055 -1.948 9.969 1.00 0.00 H new ATOM 0 HA GLN A 64 2.947 -2.549 9.866 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.851 -3.463 11.851 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.251 -4.458 11.506 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.714 -2.487 12.116 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.268 -1.631 12.612 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.339 -4.446 13.253 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.820 -4.687 14.924 1.00 0.00 H new ATOM 965 N ALA A 65 2.378 -4.991 8.991 1.00 0.00 N ATOM 966 CA ALA A 65 2.120 -6.097 8.077 1.00 0.00 C ATOM 967 C ALA A 65 0.873 -6.871 8.490 1.00 0.00 C ATOM 968 O ALA A 65 0.570 -6.992 9.676 1.00 0.00 O ATOM 969 CB ALA A 65 3.324 -7.025 8.019 1.00 0.00 C ATOM 0 H ALA A 65 3.240 -5.080 9.528 1.00 0.00 H new ATOM 0 HA ALA A 65 1.946 -5.682 7.084 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.118 -7.846 7.333 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.195 -6.470 7.669 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.524 -7.424 9.013 1.00 0.00 H new ATOM 975 N GLY A 66 0.151 -7.392 7.503 1.00 0.00 N ATOM 976 CA GLY A 66 -1.056 -8.146 7.784 1.00 0.00 C ATOM 977 C GLY A 66 -2.316 -7.354 7.495 1.00 0.00 C ATOM 978 O GLY A 66 -3.356 -7.927 7.168 1.00 0.00 O ATOM 0 H GLY A 66 0.381 -7.305 6.513 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.059 -9.057 7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.055 -8.451 8.830 1.00 0.00 H new ATOM 982 N ASP A 67 -2.224 -6.035 7.616 1.00 0.00 N ATOM 983 CA ASP A 67 -3.366 -5.163 7.366 1.00 0.00 C ATOM 984 C ASP A 67 -3.382 -4.692 5.915 1.00 0.00 C ATOM 985 O ASP A 67 -2.383 -4.803 5.204 1.00 0.00 O ATOM 986 CB ASP A 67 -3.329 -3.956 8.305 1.00 0.00 C ATOM 987 CG ASP A 67 -4.066 -4.213 9.605 1.00 0.00 C ATOM 988 OD1 ASP A 67 -3.508 -4.913 10.475 1.00 0.00 O ATOM 989 OD2 ASP A 67 -5.201 -3.713 9.752 1.00 0.00 O ATOM 0 H ASP A 67 -1.371 -5.546 7.886 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.275 -5.734 7.555 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.292 -3.700 8.523 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.771 -3.095 7.804 1.00 0.00 H new ATOM 994 N VAL A 68 -4.524 -4.167 5.481 1.00 0.00 N ATOM 995 CA VAL A 68 -4.671 -3.680 4.114 1.00 0.00 C ATOM 996 C VAL A 68 -4.712 -2.156 4.076 1.00 0.00 C ATOM 997 O VAL A 68 -5.649 -1.538 4.582 1.00 0.00 O ATOM 998 CB VAL A 68 -5.947 -4.234 3.455 1.00 0.00 C ATOM 999 CG1 VAL A 68 -6.143 -3.626 2.075 1.00 0.00 C ATOM 1000 CG2 VAL A 68 -5.889 -5.752 3.375 1.00 0.00 C ATOM 0 H VAL A 68 -5.361 -4.068 6.056 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.802 -4.031 3.557 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.802 -3.958 4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.050 -4.030 1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.233 -2.543 2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.287 -3.868 1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.799 -6.127 2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.025 -6.052 2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.801 -6.166 4.379 1.00 0.00 H new ATOM 1010 N ILE A 69 -3.691 -1.557 3.472 1.00 0.00 N ATOM 1011 CA ILE A 69 -3.612 -0.106 3.366 1.00 0.00 C ATOM 1012 C ILE A 69 -3.722 0.346 1.914 1.00 0.00 C ATOM 1013 O ILE A 69 -3.186 -0.295 1.010 1.00 0.00 O ATOM 1014 CB ILE A 69 -2.297 0.431 3.961 1.00 0.00 C ATOM 1015 CG1 ILE A 69 -1.099 -0.110 3.178 1.00 0.00 C ATOM 1016 CG2 ILE A 69 -2.188 0.056 5.431 1.00 0.00 C ATOM 1017 CD1 ILE A 69 -0.701 0.759 2.005 1.00 0.00 C ATOM 0 H ILE A 69 -2.907 -2.054 3.049 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.450 0.298 3.934 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.298 1.518 3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.248 -0.207 3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.334 -1.111 2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.253 0.443 5.837 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.027 0.485 5.979 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.206 -1.029 5.532 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.155 0.314 1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.537 0.836 1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.434 1.753 2.363 1.00 0.00 H new ATOM 1029 N THR A 70 -4.421 1.456 1.697 1.00 0.00 N ATOM 1030 CA THR A 70 -4.601 1.995 0.355 1.00 0.00 C ATOM 1031 C THR A 70 -3.586 3.094 0.063 1.00 0.00 C ATOM 1032 O THR A 70 -2.989 3.660 0.979 1.00 0.00 O ATOM 1033 CB THR A 70 -6.021 2.560 0.162 1.00 0.00 C ATOM 1034 OG1 THR A 70 -6.366 3.405 1.265 1.00 0.00 O ATOM 1035 CG2 THR A 70 -7.039 1.435 0.042 1.00 0.00 C ATOM 0 H THR A 70 -4.872 1.999 2.434 1.00 0.00 H new ATOM 0 HA THR A 70 -4.449 1.169 -0.340 1.00 0.00 H new ATOM 0 HB THR A 70 -6.035 3.142 -0.760 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.269 3.761 1.134 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.034 1.858 -0.094 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.791 0.809 -0.815 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.022 0.831 0.949 1.00 0.00 H new ATOM 1043 N ILE A 71 -3.396 3.392 -1.218 1.00 0.00 N ATOM 1044 CA ILE A 71 -2.453 4.426 -1.630 1.00 0.00 C ATOM 1045 C ILE A 71 -3.085 5.373 -2.644 1.00 0.00 C ATOM 1046 O ILE A 71 -3.586 4.942 -3.683 1.00 0.00 O ATOM 1047 CB ILE A 71 -1.178 3.814 -2.240 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -0.422 3.002 -1.187 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -0.289 4.907 -2.814 1.00 0.00 C ATOM 1050 CD1 ILE A 71 0.566 2.020 -1.777 1.00 0.00 C ATOM 0 H ILE A 71 -3.882 2.933 -1.988 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.185 4.984 -0.733 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.465 3.144 -3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.109 3.686 -0.525 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.141 2.458 -0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.608 4.459 -3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.831 5.446 -3.591 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.006 5.600 -2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.066 1.479 -0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.038 1.313 -2.417 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.307 2.559 -2.367 1.00 0.00 H new ATOM 1062 N ASP A 72 -3.057 6.665 -2.336 1.00 0.00 N ATOM 1063 CA ASP A 72 -3.624 7.675 -3.222 1.00 0.00 C ATOM 1064 C ASP A 72 -2.522 8.479 -3.905 1.00 0.00 C ATOM 1065 O ASP A 72 -1.945 9.390 -3.311 1.00 0.00 O ATOM 1066 CB ASP A 72 -4.546 8.611 -2.439 1.00 0.00 C ATOM 1067 CG ASP A 72 -5.982 8.125 -2.417 1.00 0.00 C ATOM 1068 OD1 ASP A 72 -6.224 7.014 -1.902 1.00 0.00 O ATOM 1069 OD2 ASP A 72 -6.863 8.856 -2.917 1.00 0.00 O ATOM 0 H ASP A 72 -2.648 7.038 -1.479 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.205 7.165 -3.990 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.181 8.703 -1.416 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.509 9.606 -2.882 1.00 0.00 H new ATOM 1074 N LYS A 73 -2.235 8.136 -5.156 1.00 0.00 N ATOM 1075 CA LYS A 73 -1.203 8.825 -5.921 1.00 0.00 C ATOM 1076 C LYS A 73 -1.592 10.279 -6.173 1.00 0.00 C ATOM 1077 O LYS A 73 -0.731 11.151 -6.286 1.00 0.00 O ATOM 1078 CB LYS A 73 -0.964 8.111 -7.253 1.00 0.00 C ATOM 1079 CG LYS A 73 -0.567 6.653 -7.099 1.00 0.00 C ATOM 1080 CD LYS A 73 -0.506 5.947 -8.444 1.00 0.00 C ATOM 1081 CE LYS A 73 0.512 4.817 -8.433 1.00 0.00 C ATOM 1082 NZ LYS A 73 0.994 4.492 -9.804 1.00 0.00 N ATOM 0 H LYS A 73 -2.703 7.384 -5.662 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.282 8.810 -5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.871 8.170 -7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.182 8.636 -7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.405 6.589 -6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.284 6.146 -6.453 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.490 5.550 -8.693 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.246 6.665 -9.222 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.359 5.097 -7.807 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.065 3.930 -7.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.686 3.717 -9.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.189 4.200 -10.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.444 5.331 -10.222 1.00 0.00 H new ATOM 1096 N ALA A 74 -2.893 10.531 -6.260 1.00 0.00 N ATOM 1097 CA ALA A 74 -3.396 11.879 -6.495 1.00 0.00 C ATOM 1098 C ALA A 74 -2.607 12.907 -5.691 1.00 0.00 C ATOM 1099 O ALA A 74 -2.176 13.931 -6.224 1.00 0.00 O ATOM 1100 CB ALA A 74 -4.876 11.959 -6.150 1.00 0.00 C ATOM 0 H ALA A 74 -3.618 9.820 -6.171 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.269 12.108 -7.553 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.237 12.971 -6.330 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.433 11.258 -6.772 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.019 11.705 -5.100 1.00 0.00 H new ATOM 1106 N THR A 75 -2.422 12.630 -4.404 1.00 0.00 N ATOM 1107 CA THR A 75 -1.687 13.531 -3.526 1.00 0.00 C ATOM 1108 C THR A 75 -0.504 12.822 -2.875 1.00 0.00 C ATOM 1109 O THR A 75 0.358 13.459 -2.272 1.00 0.00 O ATOM 1110 CB THR A 75 -2.595 14.106 -2.423 1.00 0.00 C ATOM 1111 OG1 THR A 75 -2.092 15.373 -1.984 1.00 0.00 O ATOM 1112 CG2 THR A 75 -2.683 13.153 -1.241 1.00 0.00 C ATOM 0 H THR A 75 -2.772 11.788 -3.947 1.00 0.00 H new ATOM 0 HA THR A 75 -1.321 14.348 -4.148 1.00 0.00 H new ATOM 0 HB THR A 75 -3.594 14.236 -2.839 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.676 15.732 -1.284 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.330 13.582 -0.475 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.095 12.200 -1.572 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.687 12.994 -0.827 1.00 0.00 H new ATOM 1120 N GLY A 76 -0.470 11.499 -3.003 1.00 0.00 N ATOM 1121 CA GLY A 76 0.612 10.725 -2.422 1.00 0.00 C ATOM 1122 C GLY A 76 0.383 10.418 -0.956 1.00 0.00 C ATOM 1123 O GLY A 76 1.325 10.392 -0.164 1.00 0.00 O ATOM 0 H GLY A 76 -1.172 10.949 -3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.723 9.791 -2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.547 11.273 -2.533 1.00 0.00 H new ATOM 1127 N LYS A 77 -0.873 10.185 -0.591 1.00 0.00 N ATOM 1128 CA LYS A 77 -1.225 9.878 0.790 1.00 0.00 C ATOM 1129 C LYS A 77 -1.623 8.413 0.938 1.00 0.00 C ATOM 1130 O LYS A 77 -2.034 7.772 -0.030 1.00 0.00 O ATOM 1131 CB LYS A 77 -2.370 10.779 1.259 1.00 0.00 C ATOM 1132 CG LYS A 77 -3.638 10.628 0.436 1.00 0.00 C ATOM 1133 CD LYS A 77 -4.593 9.625 1.062 1.00 0.00 C ATOM 1134 CE LYS A 77 -5.578 10.305 2.001 1.00 0.00 C ATOM 1135 NZ LYS A 77 -6.822 9.504 2.174 1.00 0.00 N ATOM 0 H LYS A 77 -1.665 10.203 -1.233 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.348 10.062 1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.595 10.554 2.302 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.043 11.818 1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.132 11.595 0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.382 10.307 -0.573 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.139 9.102 0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -4.025 8.874 1.611 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -5.107 10.459 2.972 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -5.832 11.290 1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.550 10.088 2.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.166 9.191 1.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.620 8.673 2.766 1.00 0.00 H new ATOM 1149 N ILE A 78 -1.500 7.891 2.153 1.00 0.00 N ATOM 1150 CA ILE A 78 -1.850 6.502 2.426 1.00 0.00 C ATOM 1151 C ILE A 78 -2.928 6.408 3.500 1.00 0.00 C ATOM 1152 O ILE A 78 -2.939 7.187 4.454 1.00 0.00 O ATOM 1153 CB ILE A 78 -0.621 5.690 2.876 1.00 0.00 C ATOM 1154 CG1 ILE A 78 0.415 5.628 1.752 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -1.038 4.289 3.298 1.00 0.00 C ATOM 1156 CD1 ILE A 78 1.838 5.500 2.249 1.00 0.00 C ATOM 0 H ILE A 78 -1.161 8.408 2.964 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.231 6.083 1.494 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.169 6.187 3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.187 4.781 1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.331 6.527 1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.159 3.727 3.613 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.744 4.353 4.126 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.511 3.781 2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.518 5.462 1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.084 6.360 2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.938 4.586 2.835 1.00 0.00 H new ATOM 1168 N SER A 79 -3.833 5.448 3.340 1.00 0.00 N ATOM 1169 CA SER A 79 -4.918 5.253 4.295 1.00 0.00 C ATOM 1170 C SER A 79 -4.994 3.795 4.740 1.00 0.00 C ATOM 1171 O SER A 79 -4.589 2.889 4.012 1.00 0.00 O ATOM 1172 CB SER A 79 -6.252 5.679 3.679 1.00 0.00 C ATOM 1173 OG SER A 79 -6.475 7.067 3.857 1.00 0.00 O ATOM 0 H SER A 79 -3.837 4.793 2.558 1.00 0.00 H new ATOM 0 HA SER A 79 -4.715 5.872 5.169 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.258 5.440 2.616 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.064 5.115 4.137 1.00 0.00 H new ATOM 0 HG SER A 79 -7.430 7.261 3.754 1.00 0.00 H new ATOM 1179 N LYS A 80 -5.516 3.577 5.942 1.00 0.00 N ATOM 1180 CA LYS A 80 -5.647 2.231 6.487 1.00 0.00 C ATOM 1181 C LYS A 80 -7.111 1.804 6.536 1.00 0.00 C ATOM 1182 O LYS A 80 -7.992 2.608 6.843 1.00 0.00 O ATOM 1183 CB LYS A 80 -5.038 2.164 7.890 1.00 0.00 C ATOM 1184 CG LYS A 80 -4.843 0.748 8.401 1.00 0.00 C ATOM 1185 CD LYS A 80 -4.462 0.734 9.872 1.00 0.00 C ATOM 1186 CE LYS A 80 -5.670 0.982 10.763 1.00 0.00 C ATOM 1187 NZ LYS A 80 -5.326 0.874 12.208 1.00 0.00 N ATOM 0 H LYS A 80 -5.856 4.316 6.558 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.109 1.547 5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.075 2.675 7.884 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.682 2.706 8.583 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.761 0.178 8.256 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.066 0.254 7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.014 -0.227 10.124 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.707 1.497 10.061 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.074 1.974 10.559 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.453 0.263 10.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.176 1.050 12.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.964 -0.080 12.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.597 1.577 12.445 1.00 0.00 H new ATOM 1201 N LEU A 81 -7.363 0.536 6.233 1.00 0.00 N ATOM 1202 CA LEU A 81 -8.720 0.002 6.244 1.00 0.00 C ATOM 1203 C LEU A 81 -8.822 -1.209 7.167 1.00 0.00 C ATOM 1204 O LEU A 81 -9.677 -1.259 8.050 1.00 0.00 O ATOM 1205 CB LEU A 81 -9.148 -0.386 4.828 1.00 0.00 C ATOM 1206 CG LEU A 81 -8.516 0.419 3.692 1.00 0.00 C ATOM 1207 CD1 LEU A 81 -8.767 -0.259 2.354 1.00 0.00 C ATOM 1208 CD2 LEU A 81 -9.058 1.841 3.681 1.00 0.00 C ATOM 0 H LEU A 81 -6.645 -0.142 5.977 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.386 0.779 6.619 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.913 -1.439 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.231 -0.288 4.757 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.440 0.463 3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.310 0.328 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.331 -1.258 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.840 -0.334 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.597 2.400 2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.139 1.817 3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.827 2.326 4.629 1.00 0.00 H new