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 44 MET CE :methyl -174:sc= 0 (180deg=0) USER MOD Set 1.2: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 22 GLN : amide:sc= -0.0664 X(o=-0.066,f=-0.39) USER MOD Set 2.2: A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -1.54! 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 -159:sc= -0.0103 (180deg=-0.714) USER MOD Single : A 57 SER OG : rot -160:sc= 0 USER MOD Single : A 59 THR OG1 : rot -45:sc= 0.0821 USER MOD Single : A 60 LYS NZ :NH3+ -162:sc= -0.017 (180deg=-0.19) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc=-0.00151 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -113:sc= 0.0344 (180deg=-2.07!) USER MOD ----------------------------------------------------------------- ATOM 132 N GLU A 12 -5.978 5.881 -9.833 1.00 0.00 N ATOM 133 CA GLU A 12 -4.785 6.330 -9.123 1.00 0.00 C ATOM 134 C GLU A 12 -4.805 5.856 -7.673 1.00 0.00 C ATOM 135 O GLU A 12 -4.346 6.560 -6.773 1.00 0.00 O ATOM 136 CB GLU A 12 -4.680 7.856 -9.171 1.00 0.00 C ATOM 137 CG GLU A 12 -4.503 8.410 -10.575 1.00 0.00 C ATOM 138 CD GLU A 12 -3.094 8.223 -11.102 1.00 0.00 C ATOM 139 OE1 GLU A 12 -2.534 7.121 -10.922 1.00 0.00 O ATOM 140 OE2 GLU A 12 -2.551 9.178 -11.696 1.00 0.00 O ATOM 0 HA GLU A 12 -3.915 5.898 -9.617 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.578 8.288 -8.730 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.838 8.173 -8.555 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.207 7.918 -11.247 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.750 9.472 -10.576 1.00 0.00 H new ATOM 147 N ILE A 13 -5.339 4.659 -7.455 1.00 0.00 N ATOM 148 CA ILE A 13 -5.418 4.091 -6.115 1.00 0.00 C ATOM 149 C ILE A 13 -5.097 2.600 -6.130 1.00 0.00 C ATOM 150 O ILE A 13 -5.531 1.871 -7.023 1.00 0.00 O ATOM 151 CB ILE A 13 -6.813 4.298 -5.497 1.00 0.00 C ATOM 152 CG1 ILE A 13 -7.328 5.705 -5.806 1.00 0.00 C ATOM 153 CG2 ILE A 13 -6.767 4.063 -3.994 1.00 0.00 C ATOM 154 CD1 ILE A 13 -6.784 6.766 -4.875 1.00 0.00 C ATOM 0 H ILE A 13 -5.723 4.064 -8.189 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.679 4.613 -5.507 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.500 3.575 -5.937 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.063 5.963 -6.832 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.416 5.706 -5.748 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.761 4.213 -3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.439 3.043 -3.795 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.069 4.764 -3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.192 7.738 -5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.071 6.532 -3.850 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.697 6.793 -4.950 1.00 0.00 H new ATOM 166 N ILE A 14 -4.337 2.154 -5.136 1.00 0.00 N ATOM 167 CA ILE A 14 -3.961 0.750 -5.034 1.00 0.00 C ATOM 168 C ILE A 14 -4.097 0.247 -3.601 1.00 0.00 C ATOM 169 O ILE A 14 -3.555 0.842 -2.670 1.00 0.00 O ATOM 170 CB ILE A 14 -2.515 0.517 -5.512 1.00 0.00 C ATOM 171 CG1 ILE A 14 -2.152 1.518 -6.612 1.00 0.00 C ATOM 172 CG2 ILE A 14 -2.345 -0.910 -6.010 1.00 0.00 C ATOM 173 CD1 ILE A 14 -0.670 1.578 -6.908 1.00 0.00 C ATOM 0 H ILE A 14 -3.970 2.745 -4.390 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.642 0.194 -5.679 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.840 0.669 -4.670 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.686 1.253 -7.524 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.496 2.510 -6.318 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.318 -1.059 -6.344 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.568 -1.606 -5.202 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.027 -1.089 -6.842 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.486 2.307 -7.697 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.131 1.873 -6.008 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.324 0.597 -7.233 1.00 0.00 H new ATOM 185 N GLU A 15 -4.823 -0.854 -3.432 1.00 0.00 N ATOM 186 CA GLU A 15 -5.029 -1.437 -2.112 1.00 0.00 C ATOM 187 C GLU A 15 -4.499 -2.867 -2.060 1.00 0.00 C ATOM 188 O GLU A 15 -4.851 -3.702 -2.891 1.00 0.00 O ATOM 189 CB GLU A 15 -6.515 -1.420 -1.748 1.00 0.00 C ATOM 190 CG GLU A 15 -6.837 -2.165 -0.464 1.00 0.00 C ATOM 191 CD GLU A 15 -8.326 -2.364 -0.262 1.00 0.00 C ATOM 192 OE1 GLU A 15 -9.099 -1.441 -0.594 1.00 0.00 O ATOM 193 OE2 GLU A 15 -8.719 -3.443 0.229 1.00 0.00 O ATOM 0 H GLU A 15 -5.278 -1.359 -4.192 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.478 -0.836 -1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.844 -0.386 -1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.086 -1.860 -2.566 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.343 -3.137 -0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.430 -1.613 0.383 1.00 0.00 H new ATOM 200 N GLY A 16 -3.647 -3.141 -1.075 1.00 0.00 N ATOM 201 CA GLY A 16 -3.081 -4.469 -0.933 1.00 0.00 C ATOM 202 C GLY A 16 -2.853 -4.850 0.517 1.00 0.00 C ATOM 203 O GLY A 16 -3.099 -4.052 1.420 1.00 0.00 O ATOM 0 H GLY A 16 -3.340 -2.467 -0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.748 -5.196 -1.396 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.134 -4.517 -1.471 1.00 0.00 H new ATOM 207 N GLU A 17 -2.382 -6.073 0.739 1.00 0.00 N ATOM 208 CA GLU A 17 -2.123 -6.557 2.090 1.00 0.00 C ATOM 209 C GLU A 17 -0.695 -6.233 2.520 1.00 0.00 C ATOM 210 O GLU A 17 0.260 -6.863 2.067 1.00 0.00 O ATOM 211 CB GLU A 17 -2.360 -8.067 2.168 1.00 0.00 C ATOM 212 CG GLU A 17 -1.976 -8.675 3.507 1.00 0.00 C ATOM 213 CD GLU A 17 -1.978 -10.191 3.481 1.00 0.00 C ATOM 214 OE1 GLU A 17 -3.048 -10.788 3.722 1.00 0.00 O ATOM 215 OE2 GLU A 17 -0.909 -10.780 3.219 1.00 0.00 O ATOM 0 H GLU A 17 -2.172 -6.746 0.002 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.811 -6.052 2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.413 -8.272 1.974 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.790 -8.557 1.379 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.985 -8.321 3.792 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.670 -8.327 4.272 1.00 0.00 H new ATOM 222 N VAL A 18 -0.559 -5.244 3.399 1.00 0.00 N ATOM 223 CA VAL A 18 0.751 -4.835 3.891 1.00 0.00 C ATOM 224 C VAL A 18 1.633 -6.045 4.177 1.00 0.00 C ATOM 225 O VAL A 18 1.528 -6.668 5.234 1.00 0.00 O ATOM 226 CB VAL A 18 0.629 -3.988 5.172 1.00 0.00 C ATOM 227 CG1 VAL A 18 1.960 -3.332 5.507 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.465 -2.944 5.017 1.00 0.00 C ATOM 0 H VAL A 18 -1.339 -4.712 3.784 1.00 0.00 H new ATOM 0 HA VAL A 18 1.210 -4.232 3.107 1.00 0.00 H new ATOM 0 HB VAL A 18 0.358 -4.646 5.998 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.855 -2.738 6.415 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.716 -4.102 5.663 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.265 -2.686 4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.538 -2.355 5.931 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.226 -2.288 4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.417 -3.440 4.829 1.00 0.00 H new ATOM 238 N VAL A 19 2.504 -6.374 3.228 1.00 0.00 N ATOM 239 CA VAL A 19 3.406 -7.509 3.378 1.00 0.00 C ATOM 240 C VAL A 19 4.615 -7.141 4.231 1.00 0.00 C ATOM 241 O VAL A 19 4.885 -7.779 5.248 1.00 0.00 O ATOM 242 CB VAL A 19 3.894 -8.023 2.010 1.00 0.00 C ATOM 243 CG1 VAL A 19 4.913 -9.137 2.191 1.00 0.00 C ATOM 244 CG2 VAL A 19 2.719 -8.495 1.168 1.00 0.00 C ATOM 0 H VAL A 19 2.604 -5.870 2.347 1.00 0.00 H new ATOM 0 HA VAL A 19 2.842 -8.299 3.874 1.00 0.00 H new ATOM 0 HB VAL A 19 4.380 -7.201 1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.246 -9.487 1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.768 -8.760 2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.456 -9.963 2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.082 -8.855 0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.202 -9.303 1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.029 -7.666 1.009 1.00 0.00 H new ATOM 254 N GLU A 20 5.338 -6.108 3.810 1.00 0.00 N ATOM 255 CA GLU A 20 6.518 -5.656 4.536 1.00 0.00 C ATOM 256 C GLU A 20 6.676 -4.142 4.430 1.00 0.00 C ATOM 257 O GLU A 20 6.273 -3.534 3.438 1.00 0.00 O ATOM 258 CB GLU A 20 7.772 -6.349 3.998 1.00 0.00 C ATOM 259 CG GLU A 20 8.955 -6.293 4.951 1.00 0.00 C ATOM 260 CD GLU A 20 8.971 -7.450 5.930 1.00 0.00 C ATOM 261 OE1 GLU A 20 7.967 -7.631 6.651 1.00 0.00 O ATOM 262 OE2 GLU A 20 9.987 -8.175 5.976 1.00 0.00 O ATOM 0 H GLU A 20 5.127 -5.569 2.970 1.00 0.00 H new ATOM 0 HA GLU A 20 6.389 -5.918 5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.537 -7.392 3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.055 -5.886 3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.881 -6.296 4.376 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.927 -5.354 5.504 1.00 0.00 H new ATOM 269 N ILE A 21 7.263 -3.541 5.459 1.00 0.00 N ATOM 270 CA ILE A 21 7.474 -2.098 5.481 1.00 0.00 C ATOM 271 C ILE A 21 8.898 -1.758 5.906 1.00 0.00 C ATOM 272 O ILE A 21 9.214 -1.744 7.096 1.00 0.00 O ATOM 273 CB ILE A 21 6.485 -1.399 6.432 1.00 0.00 C ATOM 274 CG1 ILE A 21 5.048 -1.602 5.948 1.00 0.00 C ATOM 275 CG2 ILE A 21 6.810 0.083 6.538 1.00 0.00 C ATOM 276 CD1 ILE A 21 4.030 -1.623 7.067 1.00 0.00 C ATOM 0 H ILE A 21 7.601 -4.030 6.288 1.00 0.00 H new ATOM 0 HA ILE A 21 7.305 -1.738 4.466 1.00 0.00 H new ATOM 0 HB ILE A 21 6.581 -1.843 7.423 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.792 -0.805 5.250 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.988 -2.540 5.396 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.102 0.563 7.214 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.822 0.207 6.924 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.739 0.542 5.552 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.034 -1.771 6.650 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.260 -2.438 7.753 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.061 -0.676 7.605 1.00 0.00 H new ATOM 288 N GLN A 22 9.753 -1.482 4.927 1.00 0.00 N ATOM 289 CA GLN A 22 11.144 -1.140 5.200 1.00 0.00 C ATOM 290 C GLN A 22 11.319 0.370 5.322 1.00 0.00 C ATOM 291 O GLN A 22 10.748 1.136 4.544 1.00 0.00 O ATOM 292 CB GLN A 22 12.051 -1.683 4.096 1.00 0.00 C ATOM 293 CG GLN A 22 13.513 -1.304 4.268 1.00 0.00 C ATOM 294 CD GLN A 22 14.263 -1.256 2.951 1.00 0.00 C ATOM 295 OE1 GLN A 22 14.630 -2.291 2.394 1.00 0.00 O ATOM 296 NE2 GLN A 22 14.494 -0.050 2.445 1.00 0.00 N ATOM 0 H GLN A 22 9.507 -1.488 3.937 1.00 0.00 H new ATOM 0 HA GLN A 22 11.425 -1.598 6.148 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.967 -2.769 4.070 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.699 -1.312 3.133 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.577 -0.330 4.754 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.995 -2.023 4.930 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.172 0.781 2.941 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.994 0.045 1.561 1.00 0.00 H new ATOM 305 N ILE A 23 12.111 0.792 6.301 1.00 0.00 N ATOM 306 CA ILE A 23 12.362 2.210 6.524 1.00 0.00 C ATOM 307 C ILE A 23 13.858 2.501 6.590 1.00 0.00 C ATOM 308 O ILE A 23 14.564 1.977 7.451 1.00 0.00 O ATOM 309 CB ILE A 23 11.697 2.703 7.822 1.00 0.00 C ATOM 310 CG1 ILE A 23 10.178 2.763 7.652 1.00 0.00 C ATOM 311 CG2 ILE A 23 12.246 4.067 8.214 1.00 0.00 C ATOM 312 CD1 ILE A 23 9.721 3.817 6.668 1.00 0.00 C ATOM 0 H ILE A 23 12.590 0.171 6.953 1.00 0.00 H new ATOM 0 HA ILE A 23 11.928 2.743 5.678 1.00 0.00 H new ATOM 0 HB ILE A 23 11.927 1.998 8.621 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.819 1.789 7.321 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.720 2.959 8.621 1.00 0.00 H new ATOM 0 HG21 ILE A 23 11.766 4.402 9.134 1.00 0.00 H new ATOM 0 HG22 ILE A 23 13.322 3.994 8.372 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.044 4.783 7.418 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.633 3.802 6.598 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.050 4.799 7.008 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.150 3.610 5.688 1.00 0.00 H new ATOM 437 N LYS A 33 13.446 11.361 4.191 1.00 0.00 N ATOM 438 CA LYS A 33 12.963 10.065 4.653 1.00 0.00 C ATOM 439 C LYS A 33 12.473 9.219 3.482 1.00 0.00 C ATOM 440 O LYS A 33 11.586 9.630 2.734 1.00 0.00 O ATOM 441 CB LYS A 33 11.834 10.251 5.669 1.00 0.00 C ATOM 442 CG LYS A 33 12.277 10.938 6.950 1.00 0.00 C ATOM 443 CD LYS A 33 11.163 10.960 7.984 1.00 0.00 C ATOM 444 CE LYS A 33 11.717 10.982 9.400 1.00 0.00 C ATOM 445 NZ LYS A 33 10.633 11.010 10.420 1.00 0.00 N ATOM 0 HA LYS A 33 13.793 9.545 5.132 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.036 10.835 5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.414 9.276 5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.145 10.421 7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.589 11.959 6.728 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.534 11.836 7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.528 10.084 7.854 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.342 10.103 9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.357 11.856 9.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.052 11.024 11.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.051 11.861 10.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.037 10.164 10.317 1.00 0.00 H new ATOM 459 N VAL A 34 13.055 8.033 3.330 1.00 0.00 N ATOM 460 CA VAL A 34 12.675 7.128 2.252 1.00 0.00 C ATOM 461 C VAL A 34 12.445 5.715 2.777 1.00 0.00 C ATOM 462 O VAL A 34 13.184 5.231 3.633 1.00 0.00 O ATOM 463 CB VAL A 34 13.750 7.085 1.150 1.00 0.00 C ATOM 464 CG1 VAL A 34 14.296 8.480 0.882 1.00 0.00 C ATOM 465 CG2 VAL A 34 14.870 6.131 1.536 1.00 0.00 C ATOM 0 H VAL A 34 13.791 7.677 3.940 1.00 0.00 H new ATOM 0 HA VAL A 34 11.747 7.512 1.829 1.00 0.00 H new ATOM 0 HB VAL A 34 13.291 6.718 0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.054 8.430 0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.485 9.132 0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 34 14.741 8.878 1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.621 6.113 0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 34 15.329 6.466 2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.463 5.129 1.673 1.00 0.00 H new ATOM 475 N GLY A 35 11.413 5.057 2.257 1.00 0.00 N ATOM 476 CA GLY A 35 11.104 3.705 2.684 1.00 0.00 C ATOM 477 C GLY A 35 10.566 2.849 1.555 1.00 0.00 C ATOM 478 O GLY A 35 10.291 3.348 0.464 1.00 0.00 O ATOM 0 H GLY A 35 10.786 5.436 1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.003 3.241 3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.371 3.740 3.490 1.00 0.00 H new ATOM 482 N LYS A 36 10.418 1.554 1.816 1.00 0.00 N ATOM 483 CA LYS A 36 9.911 0.625 0.813 1.00 0.00 C ATOM 484 C LYS A 36 8.761 -0.206 1.374 1.00 0.00 C ATOM 485 O LYS A 36 8.915 -0.898 2.381 1.00 0.00 O ATOM 486 CB LYS A 36 11.032 -0.298 0.330 1.00 0.00 C ATOM 487 CG LYS A 36 12.031 0.388 -0.586 1.00 0.00 C ATOM 488 CD LYS A 36 12.709 -0.605 -1.515 1.00 0.00 C ATOM 489 CE LYS A 36 13.864 -1.315 -0.825 1.00 0.00 C ATOM 490 NZ LYS A 36 15.139 -0.557 -0.959 1.00 0.00 N ATOM 0 H LYS A 36 10.642 1.124 2.714 1.00 0.00 H new ATOM 0 HA LYS A 36 9.539 1.207 -0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.560 -0.698 1.195 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.592 -1.146 -0.195 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.522 1.150 -1.176 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.784 0.899 0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.981 -1.340 -1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.077 -0.085 -2.400 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.630 -1.448 0.231 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.986 -2.310 -1.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.902 -1.073 -0.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.376 -0.452 -1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.031 0.384 -0.529 1.00 0.00 H new ATOM 504 N LEU A 37 7.609 -0.134 0.716 1.00 0.00 N ATOM 505 CA LEU A 37 6.433 -0.881 1.148 1.00 0.00 C ATOM 506 C LEU A 37 6.068 -1.958 0.131 1.00 0.00 C ATOM 507 O LEU A 37 6.154 -1.741 -1.078 1.00 0.00 O ATOM 508 CB LEU A 37 5.249 0.066 1.351 1.00 0.00 C ATOM 509 CG LEU A 37 3.862 -0.574 1.307 1.00 0.00 C ATOM 510 CD1 LEU A 37 3.582 -1.332 2.596 1.00 0.00 C ATOM 511 CD2 LEU A 37 2.794 0.482 1.065 1.00 0.00 C ATOM 0 H LEU A 37 7.464 0.434 -0.119 1.00 0.00 H new ATOM 0 HA LEU A 37 6.669 -1.366 2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.368 0.562 2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.294 0.841 0.586 1.00 0.00 H new ATOM 0 HG LEU A 37 3.837 -1.283 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.590 -1.781 2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.328 -2.115 2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.627 -0.644 3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.813 0.008 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.819 1.216 1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.984 0.980 0.114 1.00 0.00 H new ATOM 523 N THR A 38 5.659 -3.121 0.630 1.00 0.00 N ATOM 524 CA THR A 38 5.280 -4.232 -0.234 1.00 0.00 C ATOM 525 C THR A 38 3.850 -4.680 0.042 1.00 0.00 C ATOM 526 O THR A 38 3.469 -4.901 1.193 1.00 0.00 O ATOM 527 CB THR A 38 6.227 -5.433 -0.052 1.00 0.00 C ATOM 528 OG1 THR A 38 7.578 -5.034 -0.307 1.00 0.00 O ATOM 529 CG2 THR A 38 5.843 -6.570 -0.987 1.00 0.00 C ATOM 0 H THR A 38 5.582 -3.317 1.628 1.00 0.00 H new ATOM 0 HA THR A 38 5.353 -3.873 -1.261 1.00 0.00 H new ATOM 0 HB THR A 38 6.141 -5.784 0.976 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.174 -5.803 -0.188 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.525 -7.407 -0.841 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.824 -6.890 -0.771 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.904 -6.228 -2.020 1.00 0.00 H new ATOM 537 N LEU A 39 3.061 -4.813 -1.018 1.00 0.00 N ATOM 538 CA LEU A 39 1.671 -5.236 -0.890 1.00 0.00 C ATOM 539 C LEU A 39 1.342 -6.337 -1.893 1.00 0.00 C ATOM 540 O LEU A 39 1.743 -6.273 -3.056 1.00 0.00 O ATOM 541 CB LEU A 39 0.733 -4.046 -1.096 1.00 0.00 C ATOM 542 CG LEU A 39 0.278 -3.322 0.172 1.00 0.00 C ATOM 543 CD1 LEU A 39 1.440 -2.570 0.803 1.00 0.00 C ATOM 544 CD2 LEU A 39 -0.869 -2.372 -0.139 1.00 0.00 C ATOM 0 H LEU A 39 3.360 -4.634 -1.977 1.00 0.00 H new ATOM 0 HA LEU A 39 1.529 -5.632 0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.231 -3.324 -1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.152 -4.394 -1.629 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.077 -4.066 0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.098 -2.061 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.231 -3.274 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.825 -1.836 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.180 -1.866 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.541 -1.633 -0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.709 -2.936 -0.545 1.00 0.00 H new ATOM 556 N LYS A 40 0.607 -7.346 -1.437 1.00 0.00 N ATOM 557 CA LYS A 40 0.220 -8.460 -2.295 1.00 0.00 C ATOM 558 C LYS A 40 -1.113 -8.181 -2.981 1.00 0.00 C ATOM 559 O LYS A 40 -2.178 -8.347 -2.384 1.00 0.00 O ATOM 560 CB LYS A 40 0.125 -9.750 -1.477 1.00 0.00 C ATOM 561 CG LYS A 40 0.007 -11.003 -2.329 1.00 0.00 C ATOM 562 CD LYS A 40 -0.126 -12.250 -1.471 1.00 0.00 C ATOM 563 CE LYS A 40 -1.440 -12.261 -0.705 1.00 0.00 C ATOM 564 NZ LYS A 40 -1.822 -13.636 -0.279 1.00 0.00 N ATOM 0 H LYS A 40 0.267 -7.415 -0.478 1.00 0.00 H new ATOM 0 HA LYS A 40 0.985 -8.579 -3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.007 -9.834 -0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.739 -9.688 -0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.859 -10.918 -2.985 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.884 -11.093 -2.969 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.064 -13.136 -2.103 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.706 -12.301 -0.769 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.354 -11.620 0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.228 -11.842 -1.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.723 -13.601 0.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.929 -14.242 -1.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.082 -14.026 0.339 1.00 0.00 H new ATOM 621 N MET A 44 -0.066 -11.195 -6.812 1.00 0.00 N ATOM 622 CA MET A 44 1.309 -10.748 -7.005 1.00 0.00 C ATOM 623 C MET A 44 1.630 -9.568 -6.092 1.00 0.00 C ATOM 624 O MET A 44 0.772 -8.726 -5.827 1.00 0.00 O ATOM 625 CB MET A 44 1.540 -10.355 -8.465 1.00 0.00 C ATOM 626 CG MET A 44 1.248 -8.892 -8.755 1.00 0.00 C ATOM 627 SD MET A 44 1.722 -8.407 -10.426 1.00 0.00 S ATOM 628 CE MET A 44 1.120 -6.721 -10.472 1.00 0.00 C ATOM 0 HA MET A 44 1.973 -11.574 -6.749 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.575 -10.570 -8.731 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.911 -10.976 -9.103 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.184 -8.703 -8.614 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.780 -8.270 -8.035 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.242 -6.318 -11.477 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.065 -6.704 -10.200 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.686 -6.113 -9.766 1.00 0.00 H new ATOM 638 N GLU A 45 2.869 -9.515 -5.615 1.00 0.00 N ATOM 639 CA GLU A 45 3.301 -8.438 -4.731 1.00 0.00 C ATOM 640 C GLU A 45 4.075 -7.375 -5.506 1.00 0.00 C ATOM 641 O GLU A 45 4.874 -7.692 -6.389 1.00 0.00 O ATOM 642 CB GLU A 45 4.170 -8.994 -3.601 1.00 0.00 C ATOM 643 CG GLU A 45 3.378 -9.400 -2.369 1.00 0.00 C ATOM 644 CD GLU A 45 4.150 -10.341 -1.464 1.00 0.00 C ATOM 645 OE1 GLU A 45 5.322 -10.040 -1.157 1.00 0.00 O ATOM 646 OE2 GLU A 45 3.582 -11.378 -1.063 1.00 0.00 O ATOM 0 H GLU A 45 3.591 -10.204 -5.825 1.00 0.00 H new ATOM 0 HA GLU A 45 2.412 -7.975 -4.303 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.721 -9.859 -3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.907 -8.243 -3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.102 -8.507 -1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.450 -9.880 -2.680 1.00 0.00 H new ATOM 653 N THR A 46 3.832 -6.112 -5.171 1.00 0.00 N ATOM 654 CA THR A 46 4.503 -5.002 -5.835 1.00 0.00 C ATOM 655 C THR A 46 5.089 -4.027 -4.820 1.00 0.00 C ATOM 656 O THR A 46 4.429 -3.659 -3.848 1.00 0.00 O ATOM 657 CB THR A 46 3.541 -4.240 -6.766 1.00 0.00 C ATOM 658 OG1 THR A 46 2.995 -5.134 -7.743 1.00 0.00 O ATOM 659 CG2 THR A 46 4.258 -3.094 -7.464 1.00 0.00 C ATOM 0 H THR A 46 3.175 -5.832 -4.443 1.00 0.00 H new ATOM 0 HA THR A 46 5.309 -5.431 -6.430 1.00 0.00 H new ATOM 0 HB THR A 46 2.734 -3.827 -6.160 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.383 -4.643 -8.330 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.559 -2.571 -8.116 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.648 -2.401 -6.719 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.082 -3.489 -8.058 1.00 0.00 H new ATOM 667 N ILE A 47 6.329 -3.612 -5.053 1.00 0.00 N ATOM 668 CA ILE A 47 7.002 -2.678 -4.159 1.00 0.00 C ATOM 669 C ILE A 47 6.618 -1.237 -4.479 1.00 0.00 C ATOM 670 O ILE A 47 6.463 -0.870 -5.644 1.00 0.00 O ATOM 671 CB ILE A 47 8.533 -2.821 -4.244 1.00 0.00 C ATOM 672 CG1 ILE A 47 8.946 -4.275 -4.008 1.00 0.00 C ATOM 673 CG2 ILE A 47 9.208 -1.903 -3.235 1.00 0.00 C ATOM 674 CD1 ILE A 47 10.366 -4.577 -4.432 1.00 0.00 C ATOM 0 H ILE A 47 6.888 -3.908 -5.853 1.00 0.00 H new ATOM 0 HA ILE A 47 6.679 -2.921 -3.147 1.00 0.00 H new ATOM 0 HB ILE A 47 8.855 -2.529 -5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.834 -4.508 -2.949 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.266 -4.930 -4.552 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.290 -2.016 -3.307 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.936 -0.869 -3.445 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.882 -2.166 -2.229 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.589 -5.626 -4.235 1.00 0.00 H new ATOM 0 HD12 ILE A 47 10.478 -4.376 -5.497 1.00 0.00 H new ATOM 0 HD13 ILE A 47 11.055 -3.948 -3.869 1.00 0.00 H new ATOM 686 N TYR A 48 6.469 -0.425 -3.439 1.00 0.00 N ATOM 687 CA TYR A 48 6.104 0.976 -3.609 1.00 0.00 C ATOM 688 C TYR A 48 7.087 1.888 -2.882 1.00 0.00 C ATOM 689 O TYR A 48 7.425 1.655 -1.721 1.00 0.00 O ATOM 690 CB TYR A 48 4.685 1.221 -3.091 1.00 0.00 C ATOM 691 CG TYR A 48 3.624 0.456 -3.849 1.00 0.00 C ATOM 692 CD1 TYR A 48 3.424 0.667 -5.207 1.00 0.00 C ATOM 693 CD2 TYR A 48 2.820 -0.477 -3.206 1.00 0.00 C ATOM 694 CE1 TYR A 48 2.455 -0.029 -5.903 1.00 0.00 C ATOM 695 CE2 TYR A 48 1.849 -1.179 -3.894 1.00 0.00 C ATOM 696 CZ TYR A 48 1.670 -0.951 -5.243 1.00 0.00 C ATOM 697 OH TYR A 48 0.703 -1.647 -5.931 1.00 0.00 O ATOM 0 H TYR A 48 6.595 -0.713 -2.469 1.00 0.00 H new ATOM 0 HA TYR A 48 6.141 1.208 -4.673 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.639 0.944 -2.038 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.465 2.287 -3.150 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.037 1.388 -5.728 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.956 -0.657 -2.150 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.313 0.148 -6.959 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.234 -1.902 -3.379 1.00 0.00 H new ATOM 0 HH TYR A 48 0.241 -2.257 -5.319 1.00 0.00 H new ATOM 707 N ASP A 49 7.542 2.927 -3.574 1.00 0.00 N ATOM 708 CA ASP A 49 8.485 3.877 -2.995 1.00 0.00 C ATOM 709 C ASP A 49 7.765 4.882 -2.101 1.00 0.00 C ATOM 710 O ASP A 49 6.865 5.593 -2.548 1.00 0.00 O ATOM 711 CB ASP A 49 9.245 4.612 -4.101 1.00 0.00 C ATOM 712 CG ASP A 49 9.930 5.867 -3.597 1.00 0.00 C ATOM 713 OD1 ASP A 49 9.263 6.920 -3.528 1.00 0.00 O ATOM 714 OD2 ASP A 49 11.133 5.795 -3.270 1.00 0.00 O ATOM 0 H ASP A 49 7.273 3.133 -4.536 1.00 0.00 H new ATOM 0 HA ASP A 49 9.196 3.320 -2.385 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.990 3.943 -4.532 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.552 4.876 -4.900 1.00 0.00 H new ATOM 719 N LEU A 50 8.167 4.934 -0.836 1.00 0.00 N ATOM 720 CA LEU A 50 7.560 5.851 0.123 1.00 0.00 C ATOM 721 C LEU A 50 8.426 7.092 0.312 1.00 0.00 C ATOM 722 O LEU A 50 9.620 6.992 0.589 1.00 0.00 O ATOM 723 CB LEU A 50 7.351 5.151 1.466 1.00 0.00 C ATOM 724 CG LEU A 50 6.998 3.665 1.401 1.00 0.00 C ATOM 725 CD1 LEU A 50 7.353 2.973 2.708 1.00 0.00 C ATOM 726 CD2 LEU A 50 5.521 3.481 1.083 1.00 0.00 C ATOM 0 H LEU A 50 8.911 4.352 -0.450 1.00 0.00 H new ATOM 0 HA LEU A 50 6.593 6.162 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.261 5.262 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.557 5.669 2.003 1.00 0.00 H new ATOM 0 HG LEU A 50 7.582 3.208 0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.094 1.916 2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.422 3.074 2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.797 3.432 3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.288 2.417 1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.920 3.954 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.296 3.940 0.120 1.00 0.00 H new ATOM 738 N GLY A 51 7.814 8.263 0.164 1.00 0.00 N ATOM 739 CA GLY A 51 8.543 9.507 0.324 1.00 0.00 C ATOM 740 C GLY A 51 8.629 9.946 1.773 1.00 0.00 C ATOM 741 O GLY A 51 9.072 9.187 2.635 1.00 0.00 O ATOM 0 H GLY A 51 6.826 8.372 -0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.550 9.389 -0.077 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.056 10.288 -0.261 1.00 0.00 H new ATOM 745 N THR A 52 8.206 11.177 2.043 1.00 0.00 N ATOM 746 CA THR A 52 8.239 11.718 3.396 1.00 0.00 C ATOM 747 C THR A 52 6.831 11.888 3.955 1.00 0.00 C ATOM 748 O THR A 52 6.640 11.979 5.168 1.00 0.00 O ATOM 749 CB THR A 52 8.965 13.076 3.441 1.00 0.00 C ATOM 750 OG1 THR A 52 10.236 12.973 2.789 1.00 0.00 O ATOM 751 CG2 THR A 52 9.161 13.537 4.877 1.00 0.00 C ATOM 0 H THR A 52 7.836 11.819 1.342 1.00 0.00 H new ATOM 0 HA THR A 52 8.786 11.002 4.009 1.00 0.00 H new ATOM 0 HB THR A 52 8.349 13.810 2.922 1.00 0.00 H new ATOM 0 HG1 THR A 52 10.691 13.840 2.820 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.676 14.498 4.884 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.190 13.642 5.361 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.758 12.802 5.417 1.00 0.00 H new ATOM 759 N LYS A 53 5.847 11.929 3.064 1.00 0.00 N ATOM 760 CA LYS A 53 4.455 12.087 3.467 1.00 0.00 C ATOM 761 C LYS A 53 3.770 10.730 3.601 1.00 0.00 C ATOM 762 O LYS A 53 2.833 10.572 4.383 1.00 0.00 O ATOM 763 CB LYS A 53 3.703 12.951 2.453 1.00 0.00 C ATOM 764 CG LYS A 53 3.871 14.443 2.683 1.00 0.00 C ATOM 765 CD LYS A 53 3.091 15.256 1.663 1.00 0.00 C ATOM 766 CE LYS A 53 3.000 16.719 2.067 1.00 0.00 C ATOM 767 NZ LYS A 53 4.330 17.388 2.032 1.00 0.00 N ATOM 0 H LYS A 53 5.988 11.855 2.057 1.00 0.00 H new ATOM 0 HA LYS A 53 4.439 12.581 4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.051 12.705 1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.642 12.703 2.492 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.533 14.697 3.688 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.928 14.704 2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.572 15.176 0.688 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.088 14.843 1.558 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.314 17.239 1.398 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.583 16.793 3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.225 18.384 2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.977 16.908 2.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.717 17.340 1.068 1.00 0.00 H new ATOM 781 N MET A 54 4.246 9.754 2.834 1.00 0.00 N ATOM 782 CA MET A 54 3.681 8.410 2.870 1.00 0.00 C ATOM 783 C MET A 54 4.013 7.716 4.187 1.00 0.00 C ATOM 784 O MET A 54 3.219 6.926 4.700 1.00 0.00 O ATOM 785 CB MET A 54 4.206 7.582 1.696 1.00 0.00 C ATOM 786 CG MET A 54 3.527 7.901 0.375 1.00 0.00 C ATOM 787 SD MET A 54 4.000 6.764 -0.942 1.00 0.00 S ATOM 788 CE MET A 54 2.637 6.982 -2.084 1.00 0.00 C ATOM 0 H MET A 54 5.021 9.869 2.181 1.00 0.00 H new ATOM 0 HA MET A 54 2.597 8.495 2.789 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.278 7.751 1.594 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.070 6.524 1.919 1.00 0.00 H new ATOM 0 HG2 MET A 54 2.446 7.866 0.509 1.00 0.00 H new ATOM 0 HG3 MET A 54 3.779 8.919 0.078 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.573 6.117 -2.744 1.00 0.00 H new ATOM 0 HE2 MET A 54 1.707 7.082 -1.525 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.801 7.880 -2.679 1.00 0.00 H new ATOM 798 N ILE A 55 5.189 8.015 4.728 1.00 0.00 N ATOM 799 CA ILE A 55 5.625 7.419 5.985 1.00 0.00 C ATOM 800 C ILE A 55 4.794 7.936 7.155 1.00 0.00 C ATOM 801 O ILE A 55 4.296 7.157 7.967 1.00 0.00 O ATOM 802 CB ILE A 55 7.112 7.707 6.259 1.00 0.00 C ATOM 803 CG1 ILE A 55 7.989 7.031 5.203 1.00 0.00 C ATOM 804 CG2 ILE A 55 7.495 7.236 7.654 1.00 0.00 C ATOM 805 CD1 ILE A 55 9.463 7.330 5.360 1.00 0.00 C ATOM 0 H ILE A 55 5.857 8.666 4.316 1.00 0.00 H new ATOM 0 HA ILE A 55 5.484 6.342 5.890 1.00 0.00 H new ATOM 0 HB ILE A 55 7.274 8.783 6.203 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.838 5.953 5.253 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.665 7.353 4.213 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.549 7.447 7.832 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.890 7.760 8.394 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.320 6.163 7.737 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.023 6.818 4.578 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.627 8.405 5.280 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.803 6.983 6.336 1.00 0.00 H new ATOM 817 N GLU A 56 4.649 9.255 7.233 1.00 0.00 N ATOM 818 CA GLU A 56 3.877 9.875 8.304 1.00 0.00 C ATOM 819 C GLU A 56 2.547 9.155 8.504 1.00 0.00 C ATOM 820 O GLU A 56 2.044 9.057 9.623 1.00 0.00 O ATOM 821 CB GLU A 56 3.627 11.353 7.992 1.00 0.00 C ATOM 822 CG GLU A 56 4.894 12.191 7.960 1.00 0.00 C ATOM 823 CD GLU A 56 4.650 13.633 8.358 1.00 0.00 C ATOM 824 OE1 GLU A 56 3.537 14.139 8.102 1.00 0.00 O ATOM 825 OE2 GLU A 56 5.572 14.256 8.925 1.00 0.00 O ATOM 0 H GLU A 56 5.055 9.914 6.569 1.00 0.00 H new ATOM 0 HA GLU A 56 4.454 9.797 9.225 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.125 11.432 7.028 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.949 11.764 8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.632 11.753 8.632 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.319 12.162 6.957 1.00 0.00 H new ATOM 832 N SER A 57 1.983 8.651 7.411 1.00 0.00 N ATOM 833 CA SER A 57 0.709 7.943 7.465 1.00 0.00 C ATOM 834 C SER A 57 0.873 6.581 8.132 1.00 0.00 C ATOM 835 O SER A 57 0.021 6.151 8.910 1.00 0.00 O ATOM 836 CB SER A 57 0.139 7.768 6.056 1.00 0.00 C ATOM 837 OG SER A 57 -0.084 9.024 5.437 1.00 0.00 O ATOM 0 H SER A 57 2.388 8.720 6.477 1.00 0.00 H new ATOM 0 HA SER A 57 0.015 8.538 8.059 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.829 7.178 5.452 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.797 7.212 6.105 1.00 0.00 H new ATOM 0 HG SER A 57 -0.721 8.917 4.700 1.00 0.00 H new ATOM 843 N LEU A 58 1.974 5.906 7.821 1.00 0.00 N ATOM 844 CA LEU A 58 2.252 4.591 8.390 1.00 0.00 C ATOM 845 C LEU A 58 2.623 4.704 9.865 1.00 0.00 C ATOM 846 O LEU A 58 2.569 3.722 10.607 1.00 0.00 O ATOM 847 CB LEU A 58 3.382 3.908 7.618 1.00 0.00 C ATOM 848 CG LEU A 58 3.180 3.777 6.108 1.00 0.00 C ATOM 849 CD1 LEU A 58 4.013 2.631 5.556 1.00 0.00 C ATOM 850 CD2 LEU A 58 1.708 3.574 5.783 1.00 0.00 C ATOM 0 H LEU A 58 2.689 6.247 7.178 1.00 0.00 H new ATOM 0 HA LEU A 58 1.348 3.988 8.307 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.303 4.464 7.794 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.527 2.911 8.033 1.00 0.00 H new ATOM 0 HG LEU A 58 3.512 4.701 5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.857 2.553 4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.068 2.818 5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.713 1.699 6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.583 3.483 4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.350 2.666 6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.135 4.428 6.144 1.00 0.00 H new ATOM 862 N THR A 59 2.999 5.907 10.286 1.00 0.00 N ATOM 863 CA THR A 59 3.379 6.149 11.672 1.00 0.00 C ATOM 864 C THR A 59 2.167 6.529 12.515 1.00 0.00 C ATOM 865 O THR A 59 1.903 5.920 13.552 1.00 0.00 O ATOM 866 CB THR A 59 4.435 7.265 11.779 1.00 0.00 C ATOM 867 OG1 THR A 59 3.873 8.514 11.361 1.00 0.00 O ATOM 868 CG2 THR A 59 5.653 6.941 10.927 1.00 0.00 C ATOM 0 H THR A 59 3.049 6.730 9.686 1.00 0.00 H new ATOM 0 HA THR A 59 3.805 5.220 12.050 1.00 0.00 H new ATOM 0 HB THR A 59 4.749 7.339 12.820 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.366 8.384 10.533 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.385 7.743 11.019 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.096 6.005 11.267 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.352 6.842 9.884 1.00 0.00 H new ATOM 876 N LYS A 60 1.432 7.539 12.064 1.00 0.00 N ATOM 877 CA LYS A 60 0.245 8.001 12.776 1.00 0.00 C ATOM 878 C LYS A 60 -0.661 6.829 13.139 1.00 0.00 C ATOM 879 O LYS A 60 -1.310 6.834 14.185 1.00 0.00 O ATOM 880 CB LYS A 60 -0.525 9.011 11.923 1.00 0.00 C ATOM 881 CG LYS A 60 -1.919 9.312 12.448 1.00 0.00 C ATOM 882 CD LYS A 60 -2.952 8.365 11.860 1.00 0.00 C ATOM 883 CE LYS A 60 -3.503 8.890 10.543 1.00 0.00 C ATOM 884 NZ LYS A 60 -4.400 10.061 10.744 1.00 0.00 N ATOM 0 H LYS A 60 1.637 8.054 11.208 1.00 0.00 H new ATOM 0 HA LYS A 60 0.569 8.486 13.697 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.044 9.940 11.872 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.604 8.629 10.905 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.925 9.230 13.535 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.186 10.340 12.205 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.501 7.385 11.702 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.769 8.230 12.569 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.677 9.173 9.891 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.051 8.096 10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.985 10.200 9.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.015 9.890 11.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.827 10.912 10.912 1.00 0.00 H new ATOM 898 N ASP A 61 -0.700 5.826 12.269 1.00 0.00 N ATOM 899 CA ASP A 61 -1.526 4.646 12.499 1.00 0.00 C ATOM 900 C ASP A 61 -0.658 3.415 12.743 1.00 0.00 C ATOM 901 O ASP A 61 -1.163 2.297 12.851 1.00 0.00 O ATOM 902 CB ASP A 61 -2.451 4.404 11.306 1.00 0.00 C ATOM 903 CG ASP A 61 -3.757 5.165 11.422 1.00 0.00 C ATOM 904 OD1 ASP A 61 -4.458 4.988 12.439 1.00 0.00 O ATOM 905 OD2 ASP A 61 -4.077 5.938 10.495 1.00 0.00 O ATOM 0 H ASP A 61 -0.169 5.806 11.398 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.131 4.824 13.388 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.942 4.700 10.389 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.661 3.338 11.224 1.00 0.00 H new ATOM 910 N LYS A 62 0.651 3.628 12.829 1.00 0.00 N ATOM 911 CA LYS A 62 1.590 2.537 13.061 1.00 0.00 C ATOM 912 C LYS A 62 1.227 1.318 12.219 1.00 0.00 C ATOM 913 O LYS A 62 1.218 0.190 12.713 1.00 0.00 O ATOM 914 CB LYS A 62 1.609 2.159 14.544 1.00 0.00 C ATOM 915 CG LYS A 62 1.763 3.350 15.473 1.00 0.00 C ATOM 916 CD LYS A 62 0.414 3.928 15.868 1.00 0.00 C ATOM 917 CE LYS A 62 -0.297 3.043 16.881 1.00 0.00 C ATOM 918 NZ LYS A 62 -1.472 3.727 17.487 1.00 0.00 N ATOM 0 H LYS A 62 1.086 4.547 12.741 1.00 0.00 H new ATOM 0 HA LYS A 62 2.583 2.877 12.767 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.685 1.635 14.789 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.428 1.462 14.722 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.306 3.046 16.368 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.360 4.119 14.984 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.553 4.924 16.288 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.209 4.040 14.981 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.623 2.124 16.394 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.402 2.757 17.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.929 3.091 18.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.158 4.591 17.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.151 3.977 16.740 1.00 0.00 H new ATOM 932 N VAL A 63 0.929 1.552 10.945 1.00 0.00 N ATOM 933 CA VAL A 63 0.568 0.472 10.034 1.00 0.00 C ATOM 934 C VAL A 63 1.648 -0.604 10.001 1.00 0.00 C ATOM 935 O VAL A 63 2.820 -0.313 9.764 1.00 0.00 O ATOM 936 CB VAL A 63 0.339 0.998 8.604 1.00 0.00 C ATOM 937 CG1 VAL A 63 -0.014 -0.146 7.665 1.00 0.00 C ATOM 938 CG2 VAL A 63 -0.749 2.060 8.596 1.00 0.00 C ATOM 0 H VAL A 63 0.930 2.479 10.520 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.360 0.039 10.408 1.00 0.00 H new ATOM 0 HB VAL A 63 1.263 1.455 8.250 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.172 0.244 6.660 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.802 -0.869 7.649 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.925 -0.634 8.012 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.898 2.421 7.578 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.679 1.631 8.969 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.451 2.891 9.235 1.00 0.00 H new ATOM 948 N GLN A 64 1.244 -1.847 10.240 1.00 0.00 N ATOM 949 CA GLN A 64 2.178 -2.967 10.238 1.00 0.00 C ATOM 950 C GLN A 64 1.736 -4.042 9.250 1.00 0.00 C ATOM 951 O GLN A 64 0.666 -3.946 8.651 1.00 0.00 O ATOM 952 CB GLN A 64 2.295 -3.564 11.641 1.00 0.00 C ATOM 953 CG GLN A 64 3.126 -2.720 12.594 1.00 0.00 C ATOM 954 CD GLN A 64 4.598 -3.080 12.560 1.00 0.00 C ATOM 955 OE1 GLN A 64 5.078 -3.857 13.386 1.00 0.00 O ATOM 956 NE2 GLN A 64 5.324 -2.517 11.601 1.00 0.00 N ATOM 0 H GLN A 64 0.277 -2.104 10.437 1.00 0.00 H new ATOM 0 HA GLN A 64 3.154 -2.593 9.928 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.296 -3.690 12.058 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.738 -4.557 11.568 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.007 -1.667 12.338 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.748 -2.846 13.609 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.885 -1.879 10.937 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.320 -2.723 11.528 1.00 0.00 H new ATOM 965 N ALA A 65 2.568 -5.065 9.086 1.00 0.00 N ATOM 966 CA ALA A 65 2.263 -6.159 8.172 1.00 0.00 C ATOM 967 C ALA A 65 1.012 -6.912 8.616 1.00 0.00 C ATOM 968 O ALA A 65 0.682 -6.943 9.800 1.00 0.00 O ATOM 969 CB ALA A 65 3.446 -7.111 8.074 1.00 0.00 C ATOM 0 H ALA A 65 3.459 -5.159 9.574 1.00 0.00 H new ATOM 0 HA ALA A 65 2.070 -5.734 7.187 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.204 -7.923 7.388 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.318 -6.571 7.704 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.665 -7.522 9.060 1.00 0.00 H new ATOM 975 N GLY A 66 0.319 -7.517 7.655 1.00 0.00 N ATOM 976 CA GLY A 66 -0.888 -8.260 7.967 1.00 0.00 C ATOM 977 C GLY A 66 -2.145 -7.445 7.737 1.00 0.00 C ATOM 978 O GLY A 66 -3.193 -7.993 7.393 1.00 0.00 O ATOM 0 H GLY A 66 0.572 -7.506 6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.925 -9.161 7.354 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.853 -8.583 9.007 1.00 0.00 H new ATOM 982 N ASP A 67 -2.043 -6.135 7.930 1.00 0.00 N ATOM 983 CA ASP A 67 -3.182 -5.244 7.742 1.00 0.00 C ATOM 984 C ASP A 67 -3.325 -4.847 6.275 1.00 0.00 C ATOM 985 O ASP A 67 -2.461 -5.150 5.452 1.00 0.00 O ATOM 986 CB ASP A 67 -3.026 -3.993 8.608 1.00 0.00 C ATOM 987 CG ASP A 67 -3.494 -4.214 10.033 1.00 0.00 C ATOM 988 OD1 ASP A 67 -4.687 -4.530 10.224 1.00 0.00 O ATOM 989 OD2 ASP A 67 -2.667 -4.071 10.957 1.00 0.00 O ATOM 0 H ASP A 67 -1.184 -5.666 8.216 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.083 -5.777 8.046 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.980 -3.688 8.615 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.594 -3.175 8.165 1.00 0.00 H new ATOM 994 N VAL A 68 -4.423 -4.169 5.956 1.00 0.00 N ATOM 995 CA VAL A 68 -4.680 -3.731 4.589 1.00 0.00 C ATOM 996 C VAL A 68 -4.721 -2.210 4.498 1.00 0.00 C ATOM 997 O VAL A 68 -5.543 -1.562 5.146 1.00 0.00 O ATOM 998 CB VAL A 68 -6.008 -4.303 4.057 1.00 0.00 C ATOM 999 CG1 VAL A 68 -6.458 -3.543 2.819 1.00 0.00 C ATOM 1000 CG2 VAL A 68 -5.867 -5.788 3.759 1.00 0.00 C ATOM 0 H VAL A 68 -5.148 -3.911 6.625 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.860 -4.106 3.976 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.770 -4.181 4.826 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.397 -3.961 2.457 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.601 -2.492 3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.699 -3.631 2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.814 -6.175 3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.092 -5.936 3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.594 -6.318 4.672 1.00 0.00 H new ATOM 1010 N ILE A 69 -3.830 -1.647 3.689 1.00 0.00 N ATOM 1011 CA ILE A 69 -3.766 -0.202 3.512 1.00 0.00 C ATOM 1012 C ILE A 69 -3.827 0.174 2.035 1.00 0.00 C ATOM 1013 O ILE A 69 -3.487 -0.627 1.164 1.00 0.00 O ATOM 1014 CB ILE A 69 -2.481 0.384 4.127 1.00 0.00 C ATOM 1015 CG1 ILE A 69 -1.251 -0.126 3.374 1.00 0.00 C ATOM 1016 CG2 ILE A 69 -2.390 0.028 5.603 1.00 0.00 C ATOM 1017 CD1 ILE A 69 -0.919 0.684 2.140 1.00 0.00 C ATOM 0 H ILE A 69 -3.143 -2.170 3.146 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.630 0.218 4.027 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.515 1.470 4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.393 -0.116 4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.417 -1.164 3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.477 0.449 6.023 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.253 0.435 6.129 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.375 -1.056 5.716 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.036 0.265 1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.760 0.654 1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.721 1.717 2.425 1.00 0.00 H new ATOM 1029 N THR A 70 -4.260 1.401 1.760 1.00 0.00 N ATOM 1030 CA THR A 70 -4.364 1.885 0.389 1.00 0.00 C ATOM 1031 C THR A 70 -3.270 2.899 0.079 1.00 0.00 C ATOM 1032 O THR A 70 -2.567 3.362 0.978 1.00 0.00 O ATOM 1033 CB THR A 70 -5.738 2.530 0.125 1.00 0.00 C ATOM 1034 OG1 THR A 70 -5.997 3.547 1.099 1.00 0.00 O ATOM 1035 CG2 THR A 70 -6.844 1.487 0.167 1.00 0.00 C ATOM 0 H THR A 70 -4.544 2.077 2.469 1.00 0.00 H new ATOM 0 HA THR A 70 -4.246 1.019 -0.262 1.00 0.00 H new ATOM 0 HB THR A 70 -5.720 2.976 -0.869 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.871 3.953 0.923 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.804 1.967 -0.022 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.660 0.731 -0.596 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.862 1.015 1.149 1.00 0.00 H new ATOM 1043 N ILE A 71 -3.133 3.243 -1.197 1.00 0.00 N ATOM 1044 CA ILE A 71 -2.124 4.205 -1.624 1.00 0.00 C ATOM 1045 C ILE A 71 -2.669 5.125 -2.712 1.00 0.00 C ATOM 1046 O ILE A 71 -3.008 4.676 -3.807 1.00 0.00 O ATOM 1047 CB ILE A 71 -0.860 3.500 -2.149 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -0.131 2.794 -1.004 1.00 0.00 C ATOM 1049 CG2 ILE A 71 0.060 4.501 -2.833 1.00 0.00 C ATOM 1050 CD1 ILE A 71 0.753 1.655 -1.462 1.00 0.00 C ATOM 0 H ILE A 71 -3.708 2.870 -1.953 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.861 4.797 -0.748 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.158 2.750 -2.882 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.477 3.522 -0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.867 2.411 -0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.949 3.987 -3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.463 4.962 -3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.354 5.271 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.238 1.201 -0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.147 0.907 -1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.512 2.036 -2.146 1.00 0.00 H new ATOM 1062 N ASP A 72 -2.748 6.414 -2.403 1.00 0.00 N ATOM 1063 CA ASP A 72 -3.248 7.399 -3.356 1.00 0.00 C ATOM 1064 C ASP A 72 -2.098 8.046 -4.122 1.00 0.00 C ATOM 1065 O ASP A 72 -1.372 8.882 -3.584 1.00 0.00 O ATOM 1066 CB ASP A 72 -4.062 8.472 -2.631 1.00 0.00 C ATOM 1067 CG ASP A 72 -5.084 9.133 -3.536 1.00 0.00 C ATOM 1068 OD1 ASP A 72 -4.767 9.359 -4.723 1.00 0.00 O ATOM 1069 OD2 ASP A 72 -6.200 9.422 -3.058 1.00 0.00 O ATOM 0 H ASP A 72 -2.473 6.802 -1.501 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.892 6.885 -4.070 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.572 8.023 -1.779 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.387 9.231 -2.235 1.00 0.00 H new ATOM 1074 N LYS A 73 -1.939 7.654 -5.381 1.00 0.00 N ATOM 1075 CA LYS A 73 -0.879 8.195 -6.224 1.00 0.00 C ATOM 1076 C LYS A 73 -1.210 9.615 -6.670 1.00 0.00 C ATOM 1077 O LYS A 73 -0.322 10.382 -7.042 1.00 0.00 O ATOM 1078 CB LYS A 73 -0.665 7.301 -7.447 1.00 0.00 C ATOM 1079 CG LYS A 73 -0.654 5.817 -7.122 1.00 0.00 C ATOM 1080 CD LYS A 73 -0.482 4.974 -8.374 1.00 0.00 C ATOM 1081 CE LYS A 73 0.981 4.870 -8.779 1.00 0.00 C ATOM 1082 NZ LYS A 73 1.139 4.699 -10.250 1.00 0.00 N ATOM 0 H LYS A 73 -2.531 6.963 -5.841 1.00 0.00 H new ATOM 0 HA LYS A 73 0.039 8.222 -5.637 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.453 7.499 -8.174 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.280 7.568 -7.920 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.155 5.602 -6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.585 5.546 -6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.884 3.976 -8.200 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.057 5.412 -9.190 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.511 5.767 -8.459 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.441 4.027 -8.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.150 4.632 -10.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.655 3.830 -10.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.723 5.516 -10.741 1.00 0.00 H new ATOM 1096 N ALA A 74 -2.492 9.960 -6.628 1.00 0.00 N ATOM 1097 CA ALA A 74 -2.940 11.289 -7.025 1.00 0.00 C ATOM 1098 C ALA A 74 -2.398 12.356 -6.079 1.00 0.00 C ATOM 1099 O ALA A 74 -1.834 13.360 -6.516 1.00 0.00 O ATOM 1100 CB ALA A 74 -4.459 11.344 -7.070 1.00 0.00 C ATOM 0 H ALA A 74 -3.240 9.337 -6.323 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.551 11.493 -8.023 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.778 12.343 -7.368 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.828 10.615 -7.791 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.861 11.114 -6.083 1.00 0.00 H new ATOM 1106 N THR A 75 -2.574 12.133 -4.780 1.00 0.00 N ATOM 1107 CA THR A 75 -2.104 13.075 -3.773 1.00 0.00 C ATOM 1108 C THR A 75 -0.864 12.547 -3.061 1.00 0.00 C ATOM 1109 O THR A 75 -0.127 13.305 -2.432 1.00 0.00 O ATOM 1110 CB THR A 75 -3.196 13.370 -2.727 1.00 0.00 C ATOM 1111 OG1 THR A 75 -2.648 14.136 -1.649 1.00 0.00 O ATOM 1112 CG2 THR A 75 -3.791 12.078 -2.187 1.00 0.00 C ATOM 0 H THR A 75 -3.039 11.308 -4.401 1.00 0.00 H new ATOM 0 HA THR A 75 -1.853 13.998 -4.296 1.00 0.00 H new ATOM 0 HB THR A 75 -3.988 13.941 -3.212 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.349 14.320 -0.989 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.560 12.311 -1.450 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.234 11.511 -3.006 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.007 11.485 -1.717 1.00 0.00 H new ATOM 1120 N GLY A 76 -0.639 11.240 -3.165 1.00 0.00 N ATOM 1121 CA GLY A 76 0.514 10.633 -2.526 1.00 0.00 C ATOM 1122 C GLY A 76 0.279 10.350 -1.055 1.00 0.00 C ATOM 1123 O GLY A 76 1.222 10.315 -0.264 1.00 0.00 O ATOM 0 H GLY A 76 -1.234 10.592 -3.680 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.761 9.702 -3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.375 11.293 -2.633 1.00 0.00 H new ATOM 1127 N LYS A 77 -0.981 10.149 -0.686 1.00 0.00 N ATOM 1128 CA LYS A 77 -1.338 9.869 0.699 1.00 0.00 C ATOM 1129 C LYS A 77 -1.796 8.422 0.861 1.00 0.00 C ATOM 1130 O LYS A 77 -2.257 7.798 -0.095 1.00 0.00 O ATOM 1131 CB LYS A 77 -2.443 10.819 1.166 1.00 0.00 C ATOM 1132 CG LYS A 77 -1.924 12.157 1.663 1.00 0.00 C ATOM 1133 CD LYS A 77 -2.893 12.803 2.640 1.00 0.00 C ATOM 1134 CE LYS A 77 -4.183 13.219 1.951 1.00 0.00 C ATOM 1135 NZ LYS A 77 -5.197 13.714 2.924 1.00 0.00 N ATOM 0 H LYS A 77 -1.773 10.175 -1.328 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.451 10.023 1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.135 10.991 0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.010 10.339 1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.958 12.016 2.147 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.762 12.823 0.816 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.118 12.105 3.446 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.425 13.675 3.096 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.969 13.999 1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.591 12.371 1.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.062 13.988 2.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.420 12.961 3.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.818 14.539 3.431 1.00 0.00 H new ATOM 1149 N ILE A 78 -1.666 7.898 2.074 1.00 0.00 N ATOM 1150 CA ILE A 78 -2.069 6.526 2.360 1.00 0.00 C ATOM 1151 C ILE A 78 -3.158 6.484 3.427 1.00 0.00 C ATOM 1152 O ILE A 78 -3.134 7.258 4.384 1.00 0.00 O ATOM 1153 CB ILE A 78 -0.874 5.675 2.829 1.00 0.00 C ATOM 1154 CG1 ILE A 78 0.071 5.395 1.659 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -1.362 4.372 3.446 1.00 0.00 C ATOM 1156 CD1 ILE A 78 1.493 5.106 2.087 1.00 0.00 C ATOM 0 H ILE A 78 -1.285 8.402 2.875 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.458 6.111 1.430 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.326 6.232 3.589 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.309 4.546 1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.070 6.254 0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.506 3.781 3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.000 4.591 4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.930 3.809 2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.107 4.917 1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.891 5.964 2.629 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.507 4.229 2.734 1.00 0.00 H new ATOM 1168 N SER A 79 -4.112 5.574 3.255 1.00 0.00 N ATOM 1169 CA SER A 79 -5.212 5.432 4.202 1.00 0.00 C ATOM 1170 C SER A 79 -5.356 3.982 4.653 1.00 0.00 C ATOM 1171 O SER A 79 -4.993 3.055 3.929 1.00 0.00 O ATOM 1172 CB SER A 79 -6.520 5.914 3.572 1.00 0.00 C ATOM 1173 OG SER A 79 -6.631 7.325 3.645 1.00 0.00 O ATOM 0 H SER A 79 -4.145 4.925 2.469 1.00 0.00 H new ATOM 0 HA SER A 79 -4.989 6.046 5.075 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.565 5.596 2.530 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.365 5.453 4.083 1.00 0.00 H new ATOM 0 HG SER A 79 -7.474 7.608 3.234 1.00 0.00 H new ATOM 1179 N LYS A 80 -5.889 3.793 5.856 1.00 0.00 N ATOM 1180 CA LYS A 80 -6.083 2.457 6.406 1.00 0.00 C ATOM 1181 C LYS A 80 -7.541 2.025 6.282 1.00 0.00 C ATOM 1182 O LYS A 80 -8.456 2.816 6.515 1.00 0.00 O ATOM 1183 CB LYS A 80 -5.652 2.420 7.874 1.00 0.00 C ATOM 1184 CG LYS A 80 -5.154 1.059 8.328 1.00 0.00 C ATOM 1185 CD LYS A 80 -4.322 1.164 9.595 1.00 0.00 C ATOM 1186 CE LYS A 80 -5.200 1.186 10.837 1.00 0.00 C ATOM 1187 NZ LYS A 80 -5.660 2.563 11.167 1.00 0.00 N ATOM 0 H LYS A 80 -6.194 4.549 6.469 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.466 1.763 5.835 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.864 3.157 8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.495 2.716 8.499 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.004 0.399 8.503 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.557 0.606 7.536 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.633 0.321 9.650 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.716 2.070 9.560 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.065 0.542 10.681 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.645 0.776 11.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.227 2.869 12.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.380 3.214 10.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.695 2.569 11.264 1.00 0.00 H new ATOM 1201 N LEU A 81 -7.750 0.765 5.915 1.00 0.00 N ATOM 1202 CA LEU A 81 -9.097 0.227 5.762 1.00 0.00 C ATOM 1203 C LEU A 81 -9.351 -0.898 6.761 1.00 0.00 C ATOM 1204 O LEU A 81 -10.449 -1.026 7.301 1.00 0.00 O ATOM 1205 CB LEU A 81 -9.303 -0.287 4.336 1.00 0.00 C ATOM 1206 CG LEU A 81 -8.649 0.536 3.225 1.00 0.00 C ATOM 1207 CD1 LEU A 81 -7.213 0.088 3.003 1.00 0.00 C ATOM 1208 CD2 LEU A 81 -9.450 0.424 1.936 1.00 0.00 C ATOM 0 H LEU A 81 -7.004 0.098 5.718 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.807 1.030 5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.920 -1.306 4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.374 -0.338 4.141 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.638 1.582 3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.764 0.685 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.644 0.221 3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.200 -0.964 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.970 1.016 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.493 -0.620 1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.461 0.795 2.103 1.00 0.00 H new