USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 670 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 57 TYR OH : rot 180:sc=-0.00488 USER MOD Set 1.2: A 66 GLN : amide:sc= -0.223 K(o=-0.23,f=-2.8!) USER MOD Single : A 16 THR OG1 : rot -32:sc= 0.723 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.18 K(o=-1.2,f=-6.3!) USER MOD Single : A 24 ASN : amide:sc= -0.0158 X(o=-0.016,f=-0.03) USER MOD Single : A 28 ASN : amide:sc= -1.58 K(o=-1.6,f=-2.2) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0197) USER MOD Single : A 37 ASN : amide:sc= -1.9 K(o=-1.9,f=-3.9!) USER MOD Single : A 40 GLN : amide:sc= -0.0165 K(o=-0.017,f=-0.76) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0263 USER MOD Single : A 53 TYR OH : rot -34:sc= -2.13! USER MOD Single : A 54 LYS NZ :NH3+ -118:sc= -0.0926 (180deg=-2.05!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 170:sc= -0.347 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 156:sc= 0.993 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 74 SER OG : rot -88:sc= 0.963 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 168:sc= -0.113 (180deg=-0.234) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -120:sc= -3.44 USER MOD Single : A 100 SER OG : rot -139:sc= -2.28! USER MOD Single : A 101 SER OG : rot 90:sc= -0.71 USER MOD Single : A 103 GLN : amide:sc= -2.58 X(o=-2.6,f=-3.1) USER MOD ----------------------------------------------------------------- ATOM 198 N THR A 16 -6.027 -24.810 -0.369 1.00 0.00 N ATOM 199 CA THR A 16 -5.238 -24.011 -1.291 1.00 0.00 C ATOM 200 C THR A 16 -5.721 -22.559 -1.287 1.00 0.00 C ATOM 201 O THR A 16 -6.861 -22.282 -0.917 1.00 0.00 O ATOM 202 CB THR A 16 -5.309 -24.671 -2.669 1.00 0.00 C ATOM 203 OG1 THR A 16 -6.672 -25.068 -2.794 1.00 0.00 O ATOM 204 CG2 THR A 16 -4.531 -25.987 -2.729 1.00 0.00 C ATOM 0 HA THR A 16 -4.192 -23.973 -0.986 1.00 0.00 H new ATOM 0 HB THR A 16 -4.919 -23.984 -3.420 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.029 -25.296 -1.910 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.614 -26.414 -3.729 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.482 -25.800 -2.500 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.942 -26.686 -2.001 1.00 0.00 H new ATOM 212 N PRO A 17 -4.806 -21.648 -1.713 1.00 0.00 N ATOM 213 CA PRO A 17 -5.127 -20.232 -1.762 1.00 0.00 C ATOM 214 C PRO A 17 -6.042 -19.918 -2.947 1.00 0.00 C ATOM 215 O PRO A 17 -6.037 -20.634 -3.947 1.00 0.00 O ATOM 216 CB PRO A 17 -3.783 -19.526 -1.846 1.00 0.00 C ATOM 217 CG PRO A 17 -2.788 -20.579 -2.309 1.00 0.00 C ATOM 218 CD PRO A 17 -3.446 -21.941 -2.158 1.00 0.00 C ATOM 0 HA PRO A 17 -5.684 -19.897 -0.887 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.823 -18.692 -2.546 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.496 -19.116 -0.878 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.504 -20.405 -3.347 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.875 -20.528 -1.716 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.447 -22.487 -3.101 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.916 -22.559 -1.433 1.00 0.00 H new ATOM 226 N PRO A 18 -6.827 -18.818 -2.791 1.00 0.00 N ATOM 227 CA PRO A 18 -7.746 -18.400 -3.836 1.00 0.00 C ATOM 228 C PRO A 18 -6.995 -17.743 -4.996 1.00 0.00 C ATOM 229 O PRO A 18 -7.536 -17.606 -6.092 1.00 0.00 O ATOM 230 CB PRO A 18 -8.720 -17.457 -3.149 1.00 0.00 C ATOM 231 CG PRO A 18 -8.039 -17.018 -1.863 1.00 0.00 C ATOM 232 CD PRO A 18 -6.859 -17.946 -1.620 1.00 0.00 C ATOM 0 HA PRO A 18 -8.276 -19.237 -4.290 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.947 -16.600 -3.783 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.665 -17.957 -2.939 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.702 -15.985 -1.943 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.737 -17.061 -1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.929 -17.386 -1.517 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.989 -18.520 -0.702 1.00 0.00 H new ATOM 240 N SER A 19 -5.760 -17.354 -4.715 1.00 0.00 N ATOM 241 CA SER A 19 -4.930 -16.715 -5.721 1.00 0.00 C ATOM 242 C SER A 19 -5.604 -15.436 -6.221 1.00 0.00 C ATOM 243 O SER A 19 -5.247 -14.913 -7.276 1.00 0.00 O ATOM 244 CB SER A 19 -4.654 -17.662 -6.891 1.00 0.00 C ATOM 245 OG SER A 19 -4.283 -18.964 -6.448 1.00 0.00 O ATOM 0 H SER A 19 -5.314 -17.469 -3.805 1.00 0.00 H new ATOM 0 HA SER A 19 -3.975 -16.459 -5.263 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.543 -17.732 -7.518 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.858 -17.250 -7.511 1.00 0.00 H new ATOM 0 HG SER A 19 -4.117 -19.539 -7.224 1.00 0.00 H new ATOM 251 N GLN A 20 -6.567 -14.969 -5.441 1.00 0.00 N ATOM 252 CA GLN A 20 -7.295 -13.761 -5.791 1.00 0.00 C ATOM 253 C GLN A 20 -6.574 -12.529 -5.241 1.00 0.00 C ATOM 254 O GLN A 20 -6.488 -12.346 -4.028 1.00 0.00 O ATOM 255 CB GLN A 20 -8.738 -13.824 -5.285 1.00 0.00 C ATOM 256 CG GLN A 20 -9.664 -14.427 -6.343 1.00 0.00 C ATOM 257 CD GLN A 20 -10.884 -15.083 -5.693 1.00 0.00 C ATOM 258 OE1 GLN A 20 -10.778 -15.884 -4.779 1.00 0.00 O ATOM 259 NE2 GLN A 20 -12.046 -14.699 -6.215 1.00 0.00 N ATOM 0 H GLN A 20 -6.861 -15.405 -4.567 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.329 -13.683 -6.878 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.782 -14.422 -4.375 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.080 -12.822 -5.025 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.989 -13.649 -7.033 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.119 -15.166 -6.930 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.063 -14.024 -6.980 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.919 -15.079 -5.851 1.00 0.00 H new ATOM 268 N PRO A 21 -6.062 -11.693 -6.184 1.00 0.00 N ATOM 269 CA PRO A 21 -5.352 -10.484 -5.806 1.00 0.00 C ATOM 270 C PRO A 21 -6.324 -9.404 -5.328 1.00 0.00 C ATOM 271 O PRO A 21 -7.454 -9.323 -5.809 1.00 0.00 O ATOM 272 CB PRO A 21 -4.578 -10.077 -7.050 1.00 0.00 C ATOM 273 CG PRO A 21 -5.241 -10.803 -8.209 1.00 0.00 C ATOM 274 CD PRO A 21 -6.146 -11.878 -7.630 1.00 0.00 C ATOM 0 HA PRO A 21 -4.676 -10.639 -4.965 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.611 -8.997 -7.195 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.527 -10.355 -6.965 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.817 -10.105 -8.817 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.489 -11.248 -8.861 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.171 -11.766 -7.985 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.814 -12.874 -7.922 1.00 0.00 H new ATOM 282 N PRO A 22 -5.837 -8.579 -4.362 1.00 0.00 N ATOM 283 CA PRO A 22 -6.651 -7.507 -3.813 1.00 0.00 C ATOM 284 C PRO A 22 -6.762 -6.343 -4.800 1.00 0.00 C ATOM 285 O PRO A 22 -5.756 -5.882 -5.337 1.00 0.00 O ATOM 286 CB PRO A 22 -5.966 -7.120 -2.513 1.00 0.00 C ATOM 287 CG PRO A 22 -4.549 -7.663 -2.610 1.00 0.00 C ATOM 288 CD PRO A 22 -4.505 -8.645 -3.769 1.00 0.00 C ATOM 0 HA PRO A 22 -7.681 -7.812 -3.629 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.961 -6.038 -2.381 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.489 -7.543 -1.655 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.839 -6.851 -2.770 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.265 -8.156 -1.681 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.736 -8.371 -4.491 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.274 -9.653 -3.425 1.00 0.00 H new ATOM 296 N GLY A 23 -7.993 -5.901 -5.008 1.00 0.00 N ATOM 297 CA GLY A 23 -8.249 -4.800 -5.921 1.00 0.00 C ATOM 298 C GLY A 23 -8.353 -3.474 -5.164 1.00 0.00 C ATOM 299 O GLY A 23 -8.124 -3.424 -3.957 1.00 0.00 O ATOM 0 H GLY A 23 -8.825 -6.285 -4.560 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.448 -4.740 -6.658 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.173 -4.984 -6.468 1.00 0.00 H new ATOM 303 N ASN A 24 -8.698 -2.431 -5.906 1.00 0.00 N ATOM 304 CA ASN A 24 -8.835 -1.109 -5.320 1.00 0.00 C ATOM 305 C ASN A 24 -7.606 -0.807 -4.459 1.00 0.00 C ATOM 306 O ASN A 24 -7.695 -0.066 -3.482 1.00 0.00 O ATOM 307 CB ASN A 24 -10.071 -1.029 -4.423 1.00 0.00 C ATOM 308 CG ASN A 24 -10.709 0.360 -4.491 1.00 0.00 C ATOM 309 OD1 ASN A 24 -11.176 0.808 -5.526 1.00 0.00 O ATOM 310 ND2 ASN A 24 -10.702 1.016 -3.334 1.00 0.00 N ATOM 0 H ASN A 24 -8.887 -2.475 -6.907 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.932 -0.389 -6.133 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.797 -1.782 -4.730 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.793 -1.255 -3.394 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.104 1.952 -3.276 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.295 0.583 -2.505 1.00 0.00 H new ATOM 317 N VAL A 25 -6.488 -1.398 -4.853 1.00 0.00 N ATOM 318 CA VAL A 25 -5.243 -1.202 -4.130 1.00 0.00 C ATOM 319 C VAL A 25 -4.798 0.255 -4.273 1.00 0.00 C ATOM 320 O VAL A 25 -4.125 0.610 -5.240 1.00 0.00 O ATOM 321 CB VAL A 25 -4.191 -2.199 -4.620 1.00 0.00 C ATOM 322 CG1 VAL A 25 -2.882 -2.041 -3.842 1.00 0.00 C ATOM 323 CG2 VAL A 25 -4.712 -3.635 -4.530 1.00 0.00 C ATOM 0 H VAL A 25 -6.418 -2.013 -5.664 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.385 -1.395 -3.067 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.987 -1.982 -5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.151 -2.761 -4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.497 -1.031 -3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.065 -2.219 -2.782 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.945 -4.323 -4.884 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.959 -3.868 -3.494 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.604 -3.738 -5.147 1.00 0.00 H new ATOM 333 N VAL A 26 -5.193 1.059 -3.298 1.00 0.00 N ATOM 334 CA VAL A 26 -4.844 2.470 -3.303 1.00 0.00 C ATOM 335 C VAL A 26 -3.786 2.733 -2.230 1.00 0.00 C ATOM 336 O VAL A 26 -3.469 1.849 -1.435 1.00 0.00 O ATOM 337 CB VAL A 26 -6.103 3.321 -3.123 1.00 0.00 C ATOM 338 CG1 VAL A 26 -7.129 3.021 -4.218 1.00 0.00 C ATOM 339 CG2 VAL A 26 -6.708 3.117 -1.733 1.00 0.00 C ATOM 0 H VAL A 26 -5.752 0.761 -2.498 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.411 2.753 -4.262 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.815 4.369 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.014 3.639 -4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.695 3.241 -5.193 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.410 1.969 -4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.601 3.733 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.974 2.068 -1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.981 3.404 -0.974 1.00 0.00 H new ATOM 349 N TRP A 27 -3.268 3.952 -2.242 1.00 0.00 N ATOM 350 CA TRP A 27 -2.252 4.343 -1.279 1.00 0.00 C ATOM 351 C TRP A 27 -2.442 5.829 -0.968 1.00 0.00 C ATOM 352 O TRP A 27 -3.322 6.477 -1.532 1.00 0.00 O ATOM 353 CB TRP A 27 -0.850 4.015 -1.798 1.00 0.00 C ATOM 354 CG TRP A 27 -0.535 4.624 -3.166 1.00 0.00 C ATOM 355 CD1 TRP A 27 -0.864 4.150 -4.375 1.00 0.00 C ATOM 356 CD2 TRP A 27 0.190 5.847 -3.416 1.00 0.00 C ATOM 357 NE1 TRP A 27 -0.406 4.974 -5.383 1.00 0.00 N ATOM 358 CE2 TRP A 27 0.255 6.039 -4.781 1.00 0.00 C ATOM 359 CE3 TRP A 27 0.771 6.760 -2.519 1.00 0.00 C ATOM 360 CZ2 TRP A 27 0.892 7.137 -5.371 1.00 0.00 C ATOM 361 CZ3 TRP A 27 1.404 7.852 -3.125 1.00 0.00 C ATOM 362 CH2 TRP A 27 1.478 8.060 -4.497 1.00 0.00 C ATOM 0 H TRP A 27 -3.533 4.682 -2.903 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.360 3.777 -0.353 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -0.114 4.369 -1.076 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.741 2.932 -1.860 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.418 3.238 -4.540 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.530 4.829 -6.385 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.732 6.630 -1.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 0.929 7.265 -6.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.867 8.584 -2.481 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.985 8.930 -4.887 1.00 0.00 H new ATOM 373 N ASN A 28 -1.602 6.325 -0.071 1.00 0.00 N ATOM 374 CA ASN A 28 -1.667 7.722 0.322 1.00 0.00 C ATOM 375 C ASN A 28 -0.404 8.085 1.107 1.00 0.00 C ATOM 376 O ASN A 28 0.306 7.205 1.590 1.00 0.00 O ATOM 377 CB ASN A 28 -2.875 7.986 1.223 1.00 0.00 C ATOM 378 CG ASN A 28 -4.123 8.290 0.391 1.00 0.00 C ATOM 379 OD1 ASN A 28 -4.975 7.445 0.170 1.00 0.00 O ATOM 380 ND2 ASN A 28 -4.182 9.541 -0.057 1.00 0.00 N ATOM 0 H ASN A 28 -0.873 5.784 0.395 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.754 8.323 -0.583 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.058 7.118 1.856 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.662 8.825 1.886 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.975 9.843 -0.623 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.434 10.198 0.165 1.00 0.00 H new ATOM 387 N ALA A 29 -0.163 9.384 1.210 1.00 0.00 N ATOM 388 CA ALA A 29 1.001 9.875 1.928 1.00 0.00 C ATOM 389 C ALA A 29 0.600 11.084 2.775 1.00 0.00 C ATOM 390 O ALA A 29 0.153 12.099 2.242 1.00 0.00 O ATOM 391 CB ALA A 29 2.114 10.204 0.931 1.00 0.00 C ATOM 0 H ALA A 29 -0.754 10.112 0.808 1.00 0.00 H new ATOM 0 HA ALA A 29 1.385 9.112 2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.987 10.572 1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.382 9.305 0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.766 10.969 0.237 1.00 0.00 H new ATOM 397 N THR A 30 0.775 10.937 4.080 1.00 0.00 N ATOM 398 CA THR A 30 0.437 12.005 5.005 1.00 0.00 C ATOM 399 C THR A 30 1.532 12.161 6.062 1.00 0.00 C ATOM 400 O THR A 30 2.142 11.177 6.479 1.00 0.00 O ATOM 401 CB THR A 30 -0.940 11.699 5.598 1.00 0.00 C ATOM 402 OG1 THR A 30 -0.883 12.250 6.910 1.00 0.00 O ATOM 403 CG2 THR A 30 -1.158 10.203 5.831 1.00 0.00 C ATOM 0 H THR A 30 1.146 10.094 4.519 1.00 0.00 H new ATOM 0 HA THR A 30 0.381 12.967 4.495 1.00 0.00 H new ATOM 0 HB THR A 30 -1.714 12.079 4.932 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.737 12.098 7.366 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.150 10.041 6.253 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.075 9.671 4.883 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.404 9.829 6.524 1.00 0.00 H new ATOM 411 N ASP A 31 1.748 13.404 6.466 1.00 0.00 N ATOM 412 CA ASP A 31 2.759 13.701 7.466 1.00 0.00 C ATOM 413 C ASP A 31 4.074 13.025 7.073 1.00 0.00 C ATOM 414 O ASP A 31 4.882 13.604 6.349 1.00 0.00 O ATOM 415 CB ASP A 31 2.347 13.171 8.841 1.00 0.00 C ATOM 416 CG ASP A 31 1.390 14.073 9.622 1.00 0.00 C ATOM 417 OD1 ASP A 31 1.534 15.307 9.485 1.00 0.00 O ATOM 418 OD2 ASP A 31 0.535 13.508 10.338 1.00 0.00 O ATOM 0 H ASP A 31 1.240 14.217 6.119 1.00 0.00 H new ATOM 0 HA ASP A 31 2.874 14.784 7.517 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.879 12.195 8.712 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.246 13.017 9.438 1.00 0.00 H new ATOM 423 N THR A 32 4.247 11.808 7.567 1.00 0.00 N ATOM 424 CA THR A 32 5.450 11.046 7.277 1.00 0.00 C ATOM 425 C THR A 32 5.152 9.546 7.311 1.00 0.00 C ATOM 426 O THR A 32 5.905 8.773 7.902 1.00 0.00 O ATOM 427 CB THR A 32 6.532 11.474 8.270 1.00 0.00 C ATOM 428 OG1 THR A 32 5.896 11.371 9.542 1.00 0.00 O ATOM 429 CG2 THR A 32 6.885 12.958 8.149 1.00 0.00 C ATOM 0 H THR A 32 3.574 11.330 8.166 1.00 0.00 H new ATOM 0 HA THR A 32 5.814 11.250 6.270 1.00 0.00 H new ATOM 0 HB THR A 32 7.428 10.874 8.111 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.528 11.629 10.245 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.657 13.209 8.876 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.252 13.164 7.144 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.997 13.560 8.341 1.00 0.00 H new ATOM 437 N LYS A 33 4.053 9.178 6.670 1.00 0.00 N ATOM 438 CA LYS A 33 3.646 7.784 6.619 1.00 0.00 C ATOM 439 C LYS A 33 3.011 7.492 5.258 1.00 0.00 C ATOM 440 O LYS A 33 2.923 8.375 4.408 1.00 0.00 O ATOM 441 CB LYS A 33 2.741 7.447 7.806 1.00 0.00 C ATOM 442 CG LYS A 33 3.296 6.262 8.599 1.00 0.00 C ATOM 443 CD LYS A 33 2.207 5.623 9.463 1.00 0.00 C ATOM 444 CE LYS A 33 2.775 4.473 10.298 1.00 0.00 C ATOM 445 NZ LYS A 33 3.562 4.998 11.436 1.00 0.00 N ATOM 0 H LYS A 33 3.431 9.822 6.181 1.00 0.00 H new ATOM 0 HA LYS A 33 4.513 7.130 6.713 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.652 8.316 8.458 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.738 7.212 7.448 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.703 5.519 7.913 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.118 6.596 9.232 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.772 6.375 10.121 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.403 5.253 8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.962 3.848 10.668 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.405 3.839 9.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.869 4.209 12.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.397 5.504 11.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.974 5.651 11.993 1.00 0.00 H new ATOM 459 N VAL A 34 2.585 6.248 5.095 1.00 0.00 N ATOM 460 CA VAL A 34 1.961 5.827 3.852 1.00 0.00 C ATOM 461 C VAL A 34 0.775 4.914 4.166 1.00 0.00 C ATOM 462 O VAL A 34 0.959 3.745 4.502 1.00 0.00 O ATOM 463 CB VAL A 34 3.000 5.168 2.942 1.00 0.00 C ATOM 464 CG1 VAL A 34 2.325 4.439 1.778 1.00 0.00 C ATOM 465 CG2 VAL A 34 4.013 6.195 2.432 1.00 0.00 C ATOM 0 H VAL A 34 2.660 5.518 5.803 1.00 0.00 H new ATOM 0 HA VAL A 34 1.573 6.688 3.308 1.00 0.00 H new ATOM 0 HB VAL A 34 3.541 4.429 3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.085 3.979 1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.662 3.667 2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.746 5.151 1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.740 5.700 1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.494 6.968 1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.528 6.649 3.278 1.00 0.00 H new ATOM 475 N LEU A 35 -0.416 5.481 4.044 1.00 0.00 N ATOM 476 CA LEU A 35 -1.632 4.732 4.310 1.00 0.00 C ATOM 477 C LEU A 35 -2.008 3.920 3.069 1.00 0.00 C ATOM 478 O LEU A 35 -2.426 4.482 2.058 1.00 0.00 O ATOM 479 CB LEU A 35 -2.743 5.667 4.793 1.00 0.00 C ATOM 480 CG LEU A 35 -2.398 6.558 5.988 1.00 0.00 C ATOM 481 CD1 LEU A 35 -3.608 7.387 6.421 1.00 0.00 C ATOM 482 CD2 LEU A 35 -1.828 5.730 7.142 1.00 0.00 C ATOM 0 H LEU A 35 -0.565 6.451 3.764 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.471 4.021 5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.039 6.307 3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.611 5.062 5.055 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.622 7.258 5.679 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.336 8.011 7.272 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.930 8.020 5.594 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.422 6.721 6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.591 6.387 7.979 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.564 4.991 7.458 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.922 5.221 6.812 1.00 0.00 H new ATOM 494 N LEU A 36 -1.846 2.610 3.187 1.00 0.00 N ATOM 495 CA LEU A 36 -2.163 1.715 2.087 1.00 0.00 C ATOM 496 C LEU A 36 -3.568 1.143 2.289 1.00 0.00 C ATOM 497 O LEU A 36 -3.990 0.909 3.421 1.00 0.00 O ATOM 498 CB LEU A 36 -1.080 0.645 1.937 1.00 0.00 C ATOM 499 CG LEU A 36 0.336 1.158 1.667 1.00 0.00 C ATOM 500 CD1 LEU A 36 1.320 -0.003 1.514 1.00 0.00 C ATOM 501 CD2 LEU A 36 0.359 2.092 0.455 1.00 0.00 C ATOM 0 H LEU A 36 -1.499 2.147 4.027 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.173 2.261 1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.061 0.046 2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.365 -0.021 1.123 1.00 0.00 H new ATOM 0 HG LEU A 36 0.658 1.741 2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.319 0.389 1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.331 -0.593 2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.012 -0.633 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.377 2.442 0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.009 1.554 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.292 2.946 0.641 1.00 0.00 H new ATOM 513 N ASN A 37 -4.253 0.934 1.175 1.00 0.00 N ATOM 514 CA ASN A 37 -5.602 0.394 1.215 1.00 0.00 C ATOM 515 C ASN A 37 -5.845 -0.454 -0.035 1.00 0.00 C ATOM 516 O ASN A 37 -5.376 -0.114 -1.120 1.00 0.00 O ATOM 517 CB ASN A 37 -6.643 1.515 1.236 1.00 0.00 C ATOM 518 CG ASN A 37 -6.083 2.772 1.904 1.00 0.00 C ATOM 519 OD1 ASN A 37 -5.098 3.348 1.474 1.00 0.00 O ATOM 520 ND2 ASN A 37 -6.764 3.164 2.977 1.00 0.00 N ATOM 0 H ASN A 37 -3.899 1.129 0.238 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.699 -0.205 2.120 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.952 1.748 0.217 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.532 1.180 1.771 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.470 3.993 3.493 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.581 2.636 3.284 1.00 0.00 H new ATOM 527 N TRP A 38 -6.577 -1.541 0.160 1.00 0.00 N ATOM 528 CA TRP A 38 -6.888 -2.440 -0.938 1.00 0.00 C ATOM 529 C TRP A 38 -8.121 -3.257 -0.546 1.00 0.00 C ATOM 530 O TRP A 38 -8.319 -3.562 0.629 1.00 0.00 O ATOM 531 CB TRP A 38 -5.681 -3.311 -1.292 1.00 0.00 C ATOM 532 CG TRP A 38 -5.172 -4.169 -0.131 1.00 0.00 C ATOM 533 CD1 TRP A 38 -5.582 -5.391 0.234 1.00 0.00 C ATOM 534 CD2 TRP A 38 -4.133 -3.817 0.806 1.00 0.00 C ATOM 535 NE1 TRP A 38 -4.887 -5.850 1.334 1.00 0.00 N ATOM 536 CE2 TRP A 38 -3.977 -4.863 1.693 1.00 0.00 C ATOM 537 CE3 TRP A 38 -3.350 -2.653 0.902 1.00 0.00 C ATOM 538 CZ2 TRP A 38 -3.047 -4.849 2.739 1.00 0.00 C ATOM 539 CZ3 TRP A 38 -2.424 -2.655 1.953 1.00 0.00 C ATOM 540 CH2 TRP A 38 -2.256 -3.700 2.854 1.00 0.00 C ATOM 0 H TRP A 38 -6.964 -1.819 1.062 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.117 -1.878 -1.844 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.948 -3.964 -2.123 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.871 -2.669 -1.638 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.359 -5.947 -0.270 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.017 -6.749 1.798 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.454 -1.823 0.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.945 -5.680 3.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.797 -1.784 2.072 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -1.518 -3.626 3.639 1.00 0.00 H new ATOM 551 N GLU A 39 -8.917 -3.587 -1.552 1.00 0.00 N ATOM 552 CA GLU A 39 -10.125 -4.362 -1.327 1.00 0.00 C ATOM 553 C GLU A 39 -9.783 -5.696 -0.661 1.00 0.00 C ATOM 554 O GLU A 39 -8.612 -6.004 -0.445 1.00 0.00 O ATOM 555 CB GLU A 39 -10.887 -4.583 -2.636 1.00 0.00 C ATOM 556 CG GLU A 39 -12.263 -3.916 -2.588 1.00 0.00 C ATOM 557 CD GLU A 39 -13.366 -4.952 -2.357 1.00 0.00 C ATOM 558 OE1 GLU A 39 -13.278 -6.026 -2.991 1.00 0.00 O ATOM 559 OE2 GLU A 39 -14.272 -4.646 -1.552 1.00 0.00 O ATOM 0 H GLU A 39 -8.749 -3.332 -2.525 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.775 -3.799 -0.657 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.312 -4.179 -3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.003 -5.651 -2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.284 -3.173 -1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.447 -3.386 -3.522 1.00 0.00 H new ATOM 566 N GLN A 40 -10.827 -6.452 -0.352 1.00 0.00 N ATOM 567 CA GLN A 40 -10.652 -7.746 0.286 1.00 0.00 C ATOM 568 C GLN A 40 -10.783 -8.868 -0.745 1.00 0.00 C ATOM 569 O GLN A 40 -11.393 -8.681 -1.797 1.00 0.00 O ATOM 570 CB GLN A 40 -11.650 -7.932 1.430 1.00 0.00 C ATOM 571 CG GLN A 40 -13.088 -7.766 0.935 1.00 0.00 C ATOM 572 CD GLN A 40 -14.085 -8.348 1.940 1.00 0.00 C ATOM 573 OE1 GLN A 40 -13.769 -8.602 3.091 1.00 0.00 O ATOM 574 NE2 GLN A 40 -15.302 -8.544 1.443 1.00 0.00 N ATOM 0 H GLN A 40 -11.797 -6.193 -0.532 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.650 -7.787 0.712 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.525 -8.922 1.869 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.446 -7.206 2.217 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.302 -6.709 0.776 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.205 -8.263 -0.028 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.499 -8.310 0.470 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.039 -8.929 2.034 1.00 0.00 H new ATOM 583 N VAL A 41 -10.201 -10.009 -0.408 1.00 0.00 N ATOM 584 CA VAL A 41 -10.245 -11.162 -1.292 1.00 0.00 C ATOM 585 C VAL A 41 -11.050 -12.280 -0.625 1.00 0.00 C ATOM 586 O VAL A 41 -10.641 -12.814 0.405 1.00 0.00 O ATOM 587 CB VAL A 41 -8.825 -11.590 -1.666 1.00 0.00 C ATOM 588 CG1 VAL A 41 -8.773 -13.080 -2.007 1.00 0.00 C ATOM 589 CG2 VAL A 41 -8.284 -10.744 -2.820 1.00 0.00 C ATOM 0 H VAL A 41 -9.696 -10.160 0.465 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.750 -10.909 -2.224 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.185 -11.423 -0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.752 -13.358 -2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.097 -13.662 -1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.432 -13.283 -2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.273 -11.069 -3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.927 -10.865 -3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.266 -9.695 -2.525 1.00 0.00 H new ATOM 599 N LYS A 42 -12.179 -12.600 -1.240 1.00 0.00 N ATOM 600 CA LYS A 42 -13.045 -13.644 -0.719 1.00 0.00 C ATOM 601 C LYS A 42 -12.784 -14.944 -1.481 1.00 0.00 C ATOM 602 O LYS A 42 -13.050 -15.030 -2.679 1.00 0.00 O ATOM 603 CB LYS A 42 -14.507 -13.194 -0.752 1.00 0.00 C ATOM 604 CG LYS A 42 -14.868 -12.408 0.510 1.00 0.00 C ATOM 605 CD LYS A 42 -16.321 -11.932 0.463 1.00 0.00 C ATOM 606 CE LYS A 42 -17.145 -12.575 1.580 1.00 0.00 C ATOM 607 NZ LYS A 42 -18.509 -12.002 1.613 1.00 0.00 N ATOM 0 H LYS A 42 -12.514 -12.155 -2.094 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.820 -13.838 0.330 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.681 -12.575 -1.632 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.157 -14.064 -0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.715 -13.034 1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.204 -11.550 0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.355 -10.847 0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.757 -12.180 -0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.200 -13.652 1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.654 -12.416 2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -19.055 -12.449 2.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -18.451 -10.978 1.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.981 -12.176 0.703 1.00 0.00 H new ATOM 621 N ALA A 43 -12.266 -15.925 -0.756 1.00 0.00 N ATOM 622 CA ALA A 43 -11.966 -17.217 -1.349 1.00 0.00 C ATOM 623 C ALA A 43 -13.243 -17.804 -1.954 1.00 0.00 C ATOM 624 O ALA A 43 -14.346 -17.484 -1.515 1.00 0.00 O ATOM 625 CB ALA A 43 -11.347 -18.133 -0.292 1.00 0.00 C ATOM 0 H ALA A 43 -12.046 -15.851 0.237 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.238 -17.110 -2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.122 -19.102 -0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.428 -17.685 0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.050 -18.266 0.531 1.00 0.00 H new ATOM 677 N GLU A 47 -12.034 -23.082 -1.302 1.00 0.00 N ATOM 678 CA GLU A 47 -10.836 -22.259 -1.294 1.00 0.00 C ATOM 679 C GLU A 47 -10.577 -21.713 0.112 1.00 0.00 C ATOM 680 O GLU A 47 -11.507 -21.547 0.899 1.00 0.00 O ATOM 681 CB GLU A 47 -10.945 -21.123 -2.312 1.00 0.00 C ATOM 682 CG GLU A 47 -10.859 -21.659 -3.743 1.00 0.00 C ATOM 683 CD GLU A 47 -9.513 -21.306 -4.381 1.00 0.00 C ATOM 684 OE1 GLU A 47 -8.497 -21.419 -3.661 1.00 0.00 O ATOM 685 OE2 GLU A 47 -9.531 -20.931 -5.573 1.00 0.00 O ATOM 0 HA GLU A 47 -9.989 -22.881 -1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.889 -20.595 -2.174 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.147 -20.400 -2.142 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.991 -22.741 -3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.669 -21.242 -4.341 1.00 0.00 H new ATOM 692 N SER A 48 -9.307 -21.449 0.384 1.00 0.00 N ATOM 693 CA SER A 48 -8.914 -20.924 1.681 1.00 0.00 C ATOM 694 C SER A 48 -9.130 -19.410 1.721 1.00 0.00 C ATOM 695 O SER A 48 -8.567 -18.678 0.908 1.00 0.00 O ATOM 696 CB SER A 48 -7.454 -21.261 1.991 1.00 0.00 C ATOM 697 OG SER A 48 -7.324 -22.514 2.656 1.00 0.00 O ATOM 0 H SER A 48 -8.538 -21.589 -0.271 1.00 0.00 H new ATOM 0 HA SER A 48 -9.537 -21.393 2.443 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.882 -21.282 1.063 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.025 -20.475 2.612 1.00 0.00 H new ATOM 0 HG SER A 48 -6.377 -22.693 2.834 1.00 0.00 H new ATOM 703 N GLU A 49 -9.946 -18.986 2.674 1.00 0.00 N ATOM 704 CA GLU A 49 -10.243 -17.572 2.830 1.00 0.00 C ATOM 705 C GLU A 49 -8.971 -16.798 3.179 1.00 0.00 C ATOM 706 O GLU A 49 -7.964 -17.392 3.562 1.00 0.00 O ATOM 707 CB GLU A 49 -11.326 -17.353 3.889 1.00 0.00 C ATOM 708 CG GLU A 49 -10.743 -17.461 5.299 1.00 0.00 C ATOM 709 CD GLU A 49 -11.766 -18.052 6.271 1.00 0.00 C ATOM 710 OE1 GLU A 49 -12.892 -17.510 6.310 1.00 0.00 O ATOM 711 OE2 GLU A 49 -11.399 -19.033 6.953 1.00 0.00 O ATOM 0 H GLU A 49 -10.411 -19.596 3.346 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.626 -17.194 1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.779 -16.371 3.753 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.119 -18.090 3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.850 -18.086 5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.434 -16.475 5.645 1.00 0.00 H new ATOM 718 N VAL A 50 -9.058 -15.484 3.034 1.00 0.00 N ATOM 719 CA VAL A 50 -7.926 -14.622 3.329 1.00 0.00 C ATOM 720 C VAL A 50 -8.023 -14.138 4.777 1.00 0.00 C ATOM 721 O VAL A 50 -8.992 -13.481 5.152 1.00 0.00 O ATOM 722 CB VAL A 50 -7.864 -13.475 2.318 1.00 0.00 C ATOM 723 CG1 VAL A 50 -6.729 -12.506 2.657 1.00 0.00 C ATOM 724 CG2 VAL A 50 -7.722 -14.009 0.892 1.00 0.00 C ATOM 0 H VAL A 50 -9.895 -14.995 2.716 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.991 -15.173 3.232 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.803 -12.924 2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.707 -11.700 1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.892 -12.088 3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.778 -13.039 2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.680 -13.174 0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.806 -14.595 0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.578 -14.640 0.653 1.00 0.00 H new ATOM 734 N THR A 51 -7.004 -14.481 5.552 1.00 0.00 N ATOM 735 CA THR A 51 -6.962 -14.090 6.951 1.00 0.00 C ATOM 736 C THR A 51 -6.030 -12.892 7.142 1.00 0.00 C ATOM 737 O THR A 51 -5.885 -12.384 8.253 1.00 0.00 O ATOM 738 CB THR A 51 -6.554 -15.314 7.772 1.00 0.00 C ATOM 739 OG1 THR A 51 -5.330 -15.739 7.178 1.00 0.00 O ATOM 740 CG2 THR A 51 -7.500 -16.499 7.566 1.00 0.00 C ATOM 0 H THR A 51 -6.201 -15.026 5.237 1.00 0.00 H new ATOM 0 HA THR A 51 -7.941 -13.759 7.299 1.00 0.00 H new ATOM 0 HB THR A 51 -6.528 -15.050 8.829 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.994 -16.529 7.651 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.165 -17.341 8.171 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.509 -16.215 7.865 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.501 -16.786 6.514 1.00 0.00 H new ATOM 748 N GLY A 52 -5.421 -12.475 6.041 1.00 0.00 N ATOM 749 CA GLY A 52 -4.507 -11.346 6.073 1.00 0.00 C ATOM 750 C GLY A 52 -3.918 -11.078 4.687 1.00 0.00 C ATOM 751 O GLY A 52 -4.457 -11.536 3.680 1.00 0.00 O ATOM 0 H GLY A 52 -5.543 -12.899 5.121 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.032 -10.459 6.427 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.703 -11.544 6.782 1.00 0.00 H new ATOM 755 N TYR A 53 -2.820 -10.337 4.679 1.00 0.00 N ATOM 756 CA TYR A 53 -2.152 -10.002 3.433 1.00 0.00 C ATOM 757 C TYR A 53 -0.679 -9.663 3.674 1.00 0.00 C ATOM 758 O TYR A 53 -0.287 -9.347 4.796 1.00 0.00 O ATOM 759 CB TYR A 53 -2.866 -8.762 2.891 1.00 0.00 C ATOM 760 CG TYR A 53 -4.245 -9.050 2.294 1.00 0.00 C ATOM 761 CD1 TYR A 53 -4.366 -9.361 0.954 1.00 0.00 C ATOM 762 CD2 TYR A 53 -5.368 -8.999 3.094 1.00 0.00 C ATOM 763 CE1 TYR A 53 -5.663 -9.632 0.392 1.00 0.00 C ATOM 764 CE2 TYR A 53 -6.666 -9.270 2.532 1.00 0.00 C ATOM 765 CZ TYR A 53 -6.749 -9.573 1.209 1.00 0.00 C ATOM 766 OH TYR A 53 -7.975 -9.829 0.678 1.00 0.00 O ATOM 0 H TYR A 53 -2.376 -9.959 5.516 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.190 -10.842 2.740 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.975 -8.036 3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.240 -8.299 2.128 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.487 -9.401 0.328 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.274 -8.756 4.142 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.772 -9.877 -0.654 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.553 -9.233 3.147 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.005 -9.504 -0.246 1.00 0.00 H new ATOM 776 N LYS A 54 0.096 -9.740 2.602 1.00 0.00 N ATOM 777 CA LYS A 54 1.516 -9.445 2.683 1.00 0.00 C ATOM 778 C LYS A 54 1.829 -8.223 1.817 1.00 0.00 C ATOM 779 O LYS A 54 1.661 -8.261 0.599 1.00 0.00 O ATOM 780 CB LYS A 54 2.342 -10.682 2.322 1.00 0.00 C ATOM 781 CG LYS A 54 1.895 -11.897 3.139 1.00 0.00 C ATOM 782 CD LYS A 54 2.961 -12.993 3.118 1.00 0.00 C ATOM 783 CE LYS A 54 3.388 -13.370 4.539 1.00 0.00 C ATOM 784 NZ LYS A 54 4.835 -13.674 4.582 1.00 0.00 N ATOM 0 H LYS A 54 -0.233 -10.002 1.673 1.00 0.00 H new ATOM 0 HA LYS A 54 1.794 -9.191 3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.237 -10.896 1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.398 -10.485 2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.698 -11.596 4.168 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.960 -12.286 2.737 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.573 -13.873 2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.828 -12.651 2.552 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.162 -12.551 5.222 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.818 -14.235 4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.974 -14.663 4.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.248 -13.530 3.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.302 -13.043 5.264 1.00 0.00 H new ATOM 798 N VAL A 55 2.279 -7.168 2.480 1.00 0.00 N ATOM 799 CA VAL A 55 2.617 -5.937 1.786 1.00 0.00 C ATOM 800 C VAL A 55 4.086 -5.984 1.359 1.00 0.00 C ATOM 801 O VAL A 55 4.982 -5.937 2.200 1.00 0.00 O ATOM 802 CB VAL A 55 2.290 -4.731 2.670 1.00 0.00 C ATOM 803 CG1 VAL A 55 2.541 -3.420 1.923 1.00 0.00 C ATOM 804 CG2 VAL A 55 0.851 -4.803 3.185 1.00 0.00 C ATOM 0 H VAL A 55 2.417 -7.140 3.490 1.00 0.00 H new ATOM 0 HA VAL A 55 2.018 -5.832 0.881 1.00 0.00 H new ATOM 0 HB VAL A 55 2.956 -4.757 3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.301 -2.579 2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.589 -3.364 1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.912 -3.382 1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.644 -3.934 3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.162 -4.814 2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.720 -5.712 3.772 1.00 0.00 H new ATOM 814 N PHE A 56 4.286 -6.077 0.053 1.00 0.00 N ATOM 815 CA PHE A 56 5.630 -6.131 -0.497 1.00 0.00 C ATOM 816 C PHE A 56 6.061 -4.762 -1.029 1.00 0.00 C ATOM 817 O PHE A 56 5.676 -4.371 -2.129 1.00 0.00 O ATOM 818 CB PHE A 56 5.600 -7.129 -1.656 1.00 0.00 C ATOM 819 CG PHE A 56 5.633 -8.594 -1.216 1.00 0.00 C ATOM 820 CD1 PHE A 56 4.479 -9.225 -0.869 1.00 0.00 C ATOM 821 CD2 PHE A 56 6.815 -9.265 -1.173 1.00 0.00 C ATOM 822 CE1 PHE A 56 4.510 -10.585 -0.461 1.00 0.00 C ATOM 823 CE2 PHE A 56 6.845 -10.625 -0.765 1.00 0.00 C ATOM 824 CZ PHE A 56 5.692 -11.256 -0.418 1.00 0.00 C ATOM 0 H PHE A 56 3.539 -6.116 -0.641 1.00 0.00 H new ATOM 0 HA PHE A 56 6.337 -6.429 0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.700 -6.958 -2.246 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.451 -6.937 -2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.540 -8.692 -0.904 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.731 -8.764 -1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.594 -11.087 -0.185 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.784 -11.158 -0.730 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.715 -12.290 -0.108 1.00 0.00 H new ATOM 834 N TYR A 57 6.853 -4.072 -0.222 1.00 0.00 N ATOM 835 CA TYR A 57 7.340 -2.755 -0.598 1.00 0.00 C ATOM 836 C TYR A 57 8.835 -2.795 -0.920 1.00 0.00 C ATOM 837 O TYR A 57 9.611 -3.431 -0.207 1.00 0.00 O ATOM 838 CB TYR A 57 7.117 -1.859 0.622 1.00 0.00 C ATOM 839 CG TYR A 57 7.668 -2.436 1.927 1.00 0.00 C ATOM 840 CD1 TYR A 57 6.871 -3.239 2.718 1.00 0.00 C ATOM 841 CD2 TYR A 57 8.962 -2.154 2.314 1.00 0.00 C ATOM 842 CE1 TYR A 57 7.389 -3.782 3.946 1.00 0.00 C ATOM 843 CE2 TYR A 57 9.481 -2.697 3.543 1.00 0.00 C ATOM 844 CZ TYR A 57 8.669 -3.484 4.298 1.00 0.00 C ATOM 845 OH TYR A 57 9.159 -3.997 5.459 1.00 0.00 O ATOM 0 H TYR A 57 7.170 -4.400 0.691 1.00 0.00 H new ATOM 0 HA TYR A 57 6.820 -2.392 -1.484 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.584 -0.891 0.439 1.00 0.00 H new ATOM 0 HB3 TYR A 57 6.048 -1.681 0.738 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.858 -3.460 2.415 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.586 -1.526 1.695 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.776 -4.412 4.574 1.00 0.00 H new ATOM 0 HE2 TYR A 57 10.492 -2.484 3.858 1.00 0.00 H new ATOM 0 HH TYR A 57 10.085 -3.702 5.582 1.00 0.00 H new ATOM 855 N ARG A 58 9.195 -2.108 -1.994 1.00 0.00 N ATOM 856 CA ARG A 58 10.584 -2.056 -2.419 1.00 0.00 C ATOM 857 C ARG A 58 10.855 -0.764 -3.191 1.00 0.00 C ATOM 858 O ARG A 58 9.991 -0.279 -3.920 1.00 0.00 O ATOM 859 CB ARG A 58 10.934 -3.254 -3.304 1.00 0.00 C ATOM 860 CG ARG A 58 9.760 -3.627 -4.212 1.00 0.00 C ATOM 861 CD ARG A 58 10.250 -4.316 -5.487 1.00 0.00 C ATOM 862 NE ARG A 58 10.800 -3.312 -6.425 1.00 0.00 N ATOM 863 CZ ARG A 58 11.688 -3.591 -7.389 1.00 0.00 C ATOM 864 NH1 ARG A 58 12.132 -4.846 -7.547 1.00 0.00 N ATOM 865 NH2 ARG A 58 12.132 -2.617 -8.194 1.00 0.00 N ATOM 0 H ARG A 58 8.549 -1.583 -2.583 1.00 0.00 H new ATOM 0 HA ARG A 58 11.206 -2.085 -1.524 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.808 -3.019 -3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.200 -4.107 -2.679 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.077 -4.287 -3.677 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.198 -2.730 -4.472 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.014 -5.053 -5.241 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.428 -4.854 -5.958 1.00 0.00 H new ATOM 0 HE ARG A 58 10.483 -2.347 -6.332 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.794 -5.588 -6.934 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.808 -5.059 -8.281 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.794 -1.662 -8.073 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.808 -2.830 -8.928 1.00 0.00 H new ATOM 879 N THR A 59 12.059 -0.243 -3.006 1.00 0.00 N ATOM 880 CA THR A 59 12.455 0.984 -3.676 1.00 0.00 C ATOM 881 C THR A 59 12.573 0.753 -5.184 1.00 0.00 C ATOM 882 O THR A 59 12.600 -0.388 -5.641 1.00 0.00 O ATOM 883 CB THR A 59 13.753 1.476 -3.034 1.00 0.00 C ATOM 884 OG1 THR A 59 13.471 1.477 -1.637 1.00 0.00 O ATOM 885 CG2 THR A 59 14.046 2.943 -3.355 1.00 0.00 C ATOM 0 H THR A 59 12.774 -0.648 -2.401 1.00 0.00 H new ATOM 0 HA THR A 59 11.701 1.762 -3.555 1.00 0.00 H new ATOM 0 HB THR A 59 14.583 0.857 -3.374 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.261 1.782 -1.144 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.978 3.241 -2.875 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.137 3.068 -4.434 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.232 3.566 -2.985 1.00 0.00 H new ATOM 893 N SER A 60 12.640 1.856 -5.916 1.00 0.00 N ATOM 894 CA SER A 60 12.755 1.789 -7.363 1.00 0.00 C ATOM 895 C SER A 60 13.863 0.809 -7.755 1.00 0.00 C ATOM 896 O SER A 60 13.860 0.274 -8.862 1.00 0.00 O ATOM 897 CB SER A 60 13.032 3.170 -7.958 1.00 0.00 C ATOM 898 OG SER A 60 14.427 3.409 -8.126 1.00 0.00 O ATOM 0 H SER A 60 12.617 2.801 -5.534 1.00 0.00 H new ATOM 0 HA SER A 60 11.806 1.434 -7.766 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.531 3.257 -8.922 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.609 3.936 -7.309 1.00 0.00 H new ATOM 0 HG SER A 60 14.558 4.225 -8.652 1.00 0.00 H new ATOM 960 N VAL A 65 12.646 -7.541 -2.212 1.00 0.00 N ATOM 961 CA VAL A 65 11.579 -6.758 -1.612 1.00 0.00 C ATOM 962 C VAL A 65 11.286 -7.295 -0.209 1.00 0.00 C ATOM 963 O VAL A 65 11.589 -8.448 0.094 1.00 0.00 O ATOM 964 CB VAL A 65 10.349 -6.765 -2.523 1.00 0.00 C ATOM 965 CG1 VAL A 65 9.866 -8.193 -2.781 1.00 0.00 C ATOM 966 CG2 VAL A 65 9.229 -5.904 -1.937 1.00 0.00 C ATOM 0 HA VAL A 65 11.883 -5.717 -1.506 1.00 0.00 H new ATOM 0 HB VAL A 65 10.638 -6.332 -3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.991 -8.169 -3.431 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.660 -8.764 -3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.602 -8.664 -1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.367 -5.926 -2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.943 -6.295 -0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.578 -4.877 -1.829 1.00 0.00 H new ATOM 976 N GLN A 66 10.701 -6.432 0.609 1.00 0.00 N ATOM 977 CA GLN A 66 10.365 -6.804 1.973 1.00 0.00 C ATOM 978 C GLN A 66 8.906 -7.260 2.054 1.00 0.00 C ATOM 979 O GLN A 66 8.184 -7.222 1.059 1.00 0.00 O ATOM 980 CB GLN A 66 10.633 -5.649 2.939 1.00 0.00 C ATOM 981 CG GLN A 66 12.110 -5.594 3.332 1.00 0.00 C ATOM 982 CD GLN A 66 12.337 -6.238 4.702 1.00 0.00 C ATOM 983 OE1 GLN A 66 11.409 -6.566 5.423 1.00 0.00 O ATOM 984 NE2 GLN A 66 13.618 -6.400 5.018 1.00 0.00 N ATOM 0 H GLN A 66 10.451 -5.477 0.353 1.00 0.00 H new ATOM 0 HA GLN A 66 11.003 -7.637 2.270 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.341 -4.707 2.475 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.020 -5.768 3.832 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.709 -6.108 2.581 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.446 -4.557 3.353 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.345 -6.103 4.367 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.874 -6.821 5.911 1.00 0.00 H new ATOM 993 N VAL A 67 8.517 -7.681 3.248 1.00 0.00 N ATOM 994 CA VAL A 67 7.158 -8.144 3.472 1.00 0.00 C ATOM 995 C VAL A 67 6.621 -7.529 4.767 1.00 0.00 C ATOM 996 O VAL A 67 7.235 -7.666 5.824 1.00 0.00 O ATOM 997 CB VAL A 67 7.119 -9.673 3.475 1.00 0.00 C ATOM 998 CG1 VAL A 67 5.887 -10.189 4.221 1.00 0.00 C ATOM 999 CG2 VAL A 67 7.169 -10.226 2.049 1.00 0.00 C ATOM 0 H VAL A 67 9.119 -7.711 4.071 1.00 0.00 H new ATOM 0 HA VAL A 67 6.505 -7.818 2.662 1.00 0.00 H new ATOM 0 HB VAL A 67 8.003 -10.029 4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.884 -11.279 4.208 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.913 -9.838 5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.985 -9.818 3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.140 -11.315 2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.313 -9.856 1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.090 -9.901 1.565 1.00 0.00 H new ATOM 1009 N LEU A 68 5.482 -6.865 4.641 1.00 0.00 N ATOM 1010 CA LEU A 68 4.856 -6.229 5.788 1.00 0.00 C ATOM 1011 C LEU A 68 3.611 -7.023 6.189 1.00 0.00 C ATOM 1012 O LEU A 68 2.843 -7.456 5.332 1.00 0.00 O ATOM 1013 CB LEU A 68 4.576 -4.754 5.496 1.00 0.00 C ATOM 1014 CG LEU A 68 3.189 -4.243 5.891 1.00 0.00 C ATOM 1015 CD1 LEU A 68 3.097 -4.018 7.401 1.00 0.00 C ATOM 1016 CD2 LEU A 68 2.822 -2.986 5.100 1.00 0.00 C ATOM 0 H LEU A 68 4.976 -6.753 3.762 1.00 0.00 H new ATOM 0 HA LEU A 68 5.531 -6.238 6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.324 -4.153 6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.714 -4.583 4.428 1.00 0.00 H new ATOM 0 HG LEU A 68 2.457 -5.009 5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.101 -3.655 7.655 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.284 -4.958 7.921 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.840 -3.281 7.705 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.832 -2.644 5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.553 -2.203 5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.819 -3.215 4.034 1.00 0.00 H new ATOM 1028 N ASN A 69 3.450 -7.191 7.494 1.00 0.00 N ATOM 1029 CA ASN A 69 2.312 -7.925 8.020 1.00 0.00 C ATOM 1030 C ASN A 69 1.155 -6.955 8.268 1.00 0.00 C ATOM 1031 O ASN A 69 1.363 -5.852 8.773 1.00 0.00 O ATOM 1032 CB ASN A 69 2.658 -8.599 9.349 1.00 0.00 C ATOM 1033 CG ASN A 69 3.963 -9.390 9.240 1.00 0.00 C ATOM 1034 OD1 ASN A 69 4.998 -9.003 9.756 1.00 0.00 O ATOM 1035 ND2 ASN A 69 3.856 -10.516 8.541 1.00 0.00 N ATOM 0 H ASN A 69 4.089 -6.831 8.203 1.00 0.00 H new ATOM 0 HA ASN A 69 2.036 -8.687 7.291 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.750 -7.844 10.130 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.848 -9.266 9.644 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.671 -11.115 8.410 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.958 -10.781 8.135 1.00 0.00 H new ATOM 1042 N THR A 70 -0.037 -7.400 7.902 1.00 0.00 N ATOM 1043 CA THR A 70 -1.227 -6.585 8.078 1.00 0.00 C ATOM 1044 C THR A 70 -2.465 -7.473 8.225 1.00 0.00 C ATOM 1045 O THR A 70 -2.824 -8.201 7.301 1.00 0.00 O ATOM 1046 CB THR A 70 -1.313 -5.613 6.901 1.00 0.00 C ATOM 1047 OG1 THR A 70 -2.706 -5.339 6.777 1.00 0.00 O ATOM 1048 CG2 THR A 70 -0.943 -6.270 5.570 1.00 0.00 C ATOM 0 H THR A 70 -0.205 -8.315 7.484 1.00 0.00 H new ATOM 0 HA THR A 70 -1.174 -6.001 8.997 1.00 0.00 H new ATOM 0 HB THR A 70 -0.653 -4.765 7.083 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.831 -4.471 6.340 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.021 -5.536 4.768 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.079 -6.645 5.621 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.624 -7.098 5.371 1.00 0.00 H new ATOM 1056 N ASN A 71 -3.083 -7.383 9.394 1.00 0.00 N ATOM 1057 CA ASN A 71 -4.273 -8.169 9.673 1.00 0.00 C ATOM 1058 C ASN A 71 -5.513 -7.372 9.264 1.00 0.00 C ATOM 1059 O ASN A 71 -6.537 -7.419 9.943 1.00 0.00 O ATOM 1060 CB ASN A 71 -4.386 -8.485 11.166 1.00 0.00 C ATOM 1061 CG ASN A 71 -3.208 -9.342 11.635 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -2.466 -9.908 10.849 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -3.078 -9.405 12.958 1.00 0.00 N ATOM 0 H ASN A 71 -2.782 -6.778 10.158 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.202 -9.100 9.111 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.415 -7.557 11.737 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.322 -9.009 11.361 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.322 -9.952 13.371 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.734 -8.907 13.559 1.00 0.00 H new ATOM 1070 N LYS A 72 -5.380 -6.660 8.155 1.00 0.00 N ATOM 1071 CA LYS A 72 -6.477 -5.854 7.646 1.00 0.00 C ATOM 1072 C LYS A 72 -6.322 -5.686 6.134 1.00 0.00 C ATOM 1073 O LYS A 72 -5.421 -6.266 5.530 1.00 0.00 O ATOM 1074 CB LYS A 72 -6.566 -4.529 8.407 1.00 0.00 C ATOM 1075 CG LYS A 72 -5.375 -3.627 8.077 1.00 0.00 C ATOM 1076 CD LYS A 72 -4.534 -3.351 9.325 1.00 0.00 C ATOM 1077 CE LYS A 72 -3.835 -1.993 9.226 1.00 0.00 C ATOM 1078 NZ LYS A 72 -3.758 -1.351 10.557 1.00 0.00 N ATOM 0 H LYS A 72 -4.529 -6.624 7.594 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.429 -6.356 7.815 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.495 -4.020 8.150 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.594 -4.722 9.479 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.756 -4.100 7.314 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.732 -2.686 7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.171 -3.373 10.209 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.791 -4.139 9.448 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.832 -2.123 8.820 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.378 -1.348 8.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.281 -0.431 10.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.718 -1.210 10.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.220 -1.961 11.206 1.00 0.00 H new ATOM 1092 N THR A 73 -7.215 -4.889 5.565 1.00 0.00 N ATOM 1093 CA THR A 73 -7.189 -4.637 4.134 1.00 0.00 C ATOM 1094 C THR A 73 -6.360 -3.388 3.827 1.00 0.00 C ATOM 1095 O THR A 73 -6.380 -2.885 2.705 1.00 0.00 O ATOM 1096 CB THR A 73 -8.636 -4.541 3.645 1.00 0.00 C ATOM 1097 OG1 THR A 73 -9.338 -3.972 4.746 1.00 0.00 O ATOM 1098 CG2 THR A 73 -9.283 -5.915 3.459 1.00 0.00 C ATOM 0 H THR A 73 -7.961 -4.409 6.069 1.00 0.00 H new ATOM 0 HA THR A 73 -6.702 -5.452 3.598 1.00 0.00 H new ATOM 0 HB THR A 73 -8.665 -3.996 2.702 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.285 -3.873 4.514 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.308 -5.790 3.111 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.717 -6.487 2.723 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.285 -6.448 4.410 1.00 0.00 H new ATOM 1106 N SER A 74 -5.650 -2.923 4.845 1.00 0.00 N ATOM 1107 CA SER A 74 -4.816 -1.743 4.699 1.00 0.00 C ATOM 1108 C SER A 74 -3.430 -2.005 5.292 1.00 0.00 C ATOM 1109 O SER A 74 -3.113 -3.134 5.665 1.00 0.00 O ATOM 1110 CB SER A 74 -5.459 -0.527 5.368 1.00 0.00 C ATOM 1111 OG SER A 74 -6.188 0.271 4.439 1.00 0.00 O ATOM 0 H SER A 74 -5.636 -3.343 5.774 1.00 0.00 H new ATOM 0 HA SER A 74 -4.714 -1.526 3.636 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.127 -0.861 6.161 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.685 0.080 5.838 1.00 0.00 H new ATOM 0 HG SER A 74 -5.588 0.932 4.035 1.00 0.00 H new ATOM 1117 N ALA A 75 -2.641 -0.943 5.363 1.00 0.00 N ATOM 1118 CA ALA A 75 -1.297 -1.043 5.905 1.00 0.00 C ATOM 1119 C ALA A 75 -0.709 0.360 6.062 1.00 0.00 C ATOM 1120 O ALA A 75 -1.301 1.339 5.611 1.00 0.00 O ATOM 1121 CB ALA A 75 -0.446 -1.934 4.998 1.00 0.00 C ATOM 0 H ALA A 75 -2.907 -0.008 5.054 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.315 -1.505 6.892 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.563 -2.009 5.404 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.890 -2.928 4.944 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.403 -1.501 3.999 1.00 0.00 H new ATOM 1127 N GLU A 76 0.450 0.413 6.704 1.00 0.00 N ATOM 1128 CA GLU A 76 1.124 1.681 6.926 1.00 0.00 C ATOM 1129 C GLU A 76 2.638 1.509 6.781 1.00 0.00 C ATOM 1130 O GLU A 76 3.251 0.732 7.512 1.00 0.00 O ATOM 1131 CB GLU A 76 0.767 2.259 8.297 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.684 2.743 8.326 1.00 0.00 C ATOM 1133 CD GLU A 76 -1.264 2.651 9.739 1.00 0.00 C ATOM 1134 OE1 GLU A 76 -1.052 3.617 10.503 1.00 0.00 O ATOM 1135 OE2 GLU A 76 -1.905 1.616 10.023 1.00 0.00 O ATOM 0 H GLU A 76 0.938 -0.401 7.077 1.00 0.00 H new ATOM 0 HA GLU A 76 0.784 2.389 6.170 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.917 1.501 9.066 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.435 3.087 8.532 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.735 3.774 7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.285 2.143 7.642 1.00 0.00 H new ATOM 1142 N LEU A 77 3.197 2.246 5.833 1.00 0.00 N ATOM 1143 CA LEU A 77 4.627 2.184 5.583 1.00 0.00 C ATOM 1144 C LEU A 77 5.242 3.564 5.825 1.00 0.00 C ATOM 1145 O LEU A 77 4.535 4.514 6.157 1.00 0.00 O ATOM 1146 CB LEU A 77 4.903 1.625 4.186 1.00 0.00 C ATOM 1147 CG LEU A 77 4.600 0.138 3.987 1.00 0.00 C ATOM 1148 CD1 LEU A 77 4.314 -0.171 2.516 1.00 0.00 C ATOM 1149 CD2 LEU A 77 5.728 -0.731 4.547 1.00 0.00 C ATOM 0 H LEU A 77 2.686 2.889 5.229 1.00 0.00 H new ATOM 0 HA LEU A 77 5.106 1.494 6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.316 2.195 3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.953 1.797 3.948 1.00 0.00 H new ATOM 0 HG LEU A 77 3.698 -0.105 4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.102 -1.234 2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.453 0.409 2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.183 0.092 1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.488 -1.783 4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.660 -0.493 4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.841 -0.537 5.614 1.00 0.00 H new ATOM 1161 N VAL A 78 6.554 3.631 5.650 1.00 0.00 N ATOM 1162 CA VAL A 78 7.273 4.879 5.845 1.00 0.00 C ATOM 1163 C VAL A 78 7.400 5.604 4.504 1.00 0.00 C ATOM 1164 O VAL A 78 7.374 4.974 3.448 1.00 0.00 O ATOM 1165 CB VAL A 78 8.624 4.606 6.508 1.00 0.00 C ATOM 1166 CG1 VAL A 78 8.441 3.933 7.870 1.00 0.00 C ATOM 1167 CG2 VAL A 78 9.522 3.765 5.597 1.00 0.00 C ATOM 0 H VAL A 78 7.138 2.841 5.375 1.00 0.00 H new ATOM 0 HA VAL A 78 6.723 5.536 6.519 1.00 0.00 H new ATOM 0 HB VAL A 78 9.116 5.565 6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.417 3.750 8.320 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.857 4.583 8.522 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.918 2.985 7.740 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.476 3.585 6.092 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.037 2.812 5.387 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.693 4.298 4.662 1.00 0.00 H new ATOM 1177 N LEU A 79 7.535 6.920 4.590 1.00 0.00 N ATOM 1178 CA LEU A 79 7.666 7.738 3.397 1.00 0.00 C ATOM 1179 C LEU A 79 8.917 7.311 2.626 1.00 0.00 C ATOM 1180 O LEU A 79 9.954 7.030 3.225 1.00 0.00 O ATOM 1181 CB LEU A 79 7.646 9.224 3.761 1.00 0.00 C ATOM 1182 CG LEU A 79 8.615 9.658 4.862 1.00 0.00 C ATOM 1183 CD1 LEU A 79 10.057 9.299 4.496 1.00 0.00 C ATOM 1184 CD2 LEU A 79 8.457 11.147 5.176 1.00 0.00 C ATOM 0 H LEU A 79 7.556 7.439 5.468 1.00 0.00 H new ATOM 0 HA LEU A 79 6.814 7.584 2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.866 9.801 2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.635 9.488 4.070 1.00 0.00 H new ATOM 0 HG LEU A 79 8.367 9.109 5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.726 9.618 5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.141 8.220 4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.333 9.802 3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.157 11.429 5.962 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.663 11.732 4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.438 11.342 5.511 1.00 0.00 H new ATOM 1196 N PRO A 80 8.774 7.273 1.274 1.00 0.00 N ATOM 1197 CA PRO A 80 9.880 6.885 0.415 1.00 0.00 C ATOM 1198 C PRO A 80 10.913 8.009 0.309 1.00 0.00 C ATOM 1199 O PRO A 80 10.595 9.110 -0.138 1.00 0.00 O ATOM 1200 CB PRO A 80 9.239 6.540 -0.920 1.00 0.00 C ATOM 1201 CG PRO A 80 7.865 7.189 -0.902 1.00 0.00 C ATOM 1202 CD PRO A 80 7.561 7.599 0.530 1.00 0.00 C ATOM 0 HA PRO A 80 10.438 6.034 0.806 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.838 6.916 -1.750 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.159 5.460 -1.048 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.845 8.058 -1.560 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.110 6.494 -1.268 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.329 8.662 0.597 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.699 7.059 0.922 1.00 0.00 H new ATOM 1210 N ILE A 81 12.129 7.692 0.729 1.00 0.00 N ATOM 1211 CA ILE A 81 13.211 8.661 0.687 1.00 0.00 C ATOM 1212 C ILE A 81 13.969 8.516 -0.634 1.00 0.00 C ATOM 1213 O ILE A 81 14.995 7.841 -0.695 1.00 0.00 O ATOM 1214 CB ILE A 81 14.101 8.524 1.924 1.00 0.00 C ATOM 1215 CG1 ILE A 81 13.259 8.457 3.200 1.00 0.00 C ATOM 1216 CG2 ILE A 81 15.138 9.647 1.980 1.00 0.00 C ATOM 1217 CD1 ILE A 81 12.944 7.007 3.573 1.00 0.00 C ATOM 0 H ILE A 81 12.389 6.778 1.100 1.00 0.00 H new ATOM 0 HA ILE A 81 12.815 9.676 0.718 1.00 0.00 H new ATOM 0 HB ILE A 81 14.648 7.584 1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 81 13.794 8.939 4.019 1.00 0.00 H new ATOM 0 HG13 ILE A 81 12.330 9.009 3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 81 15.758 9.526 2.869 1.00 0.00 H new ATOM 0 HG22 ILE A 81 15.767 9.606 1.091 1.00 0.00 H new ATOM 0 HG23 ILE A 81 14.629 10.610 2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 81 12.345 6.987 4.483 1.00 0.00 H new ATOM 0 HD12 ILE A 81 12.388 6.535 2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 81 13.874 6.464 3.739 1.00 0.00 H new ATOM 1229 N LYS A 82 13.434 9.163 -1.660 1.00 0.00 N ATOM 1230 CA LYS A 82 14.047 9.115 -2.976 1.00 0.00 C ATOM 1231 C LYS A 82 13.681 7.794 -3.657 1.00 0.00 C ATOM 1232 O LYS A 82 13.375 6.810 -2.986 1.00 0.00 O ATOM 1233 CB LYS A 82 15.555 9.356 -2.875 1.00 0.00 C ATOM 1234 CG LYS A 82 16.044 10.257 -4.011 1.00 0.00 C ATOM 1235 CD LYS A 82 16.829 11.451 -3.464 1.00 0.00 C ATOM 1236 CE LYS A 82 15.934 12.352 -2.611 1.00 0.00 C ATOM 1237 NZ LYS A 82 16.639 13.607 -2.268 1.00 0.00 N ATOM 0 H LYS A 82 12.583 9.723 -1.606 1.00 0.00 H new ATOM 0 HA LYS A 82 13.660 9.917 -3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.790 9.816 -1.915 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.082 8.403 -2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.675 9.683 -4.690 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.192 10.612 -4.591 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.668 11.096 -2.866 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.247 12.025 -4.291 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.016 12.580 -3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.645 11.829 -1.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.018 14.207 -1.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.503 13.385 -1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.893 14.112 -3.141 1.00 0.00 H new ATOM 1251 N GLU A 83 13.723 7.816 -4.981 1.00 0.00 N ATOM 1252 CA GLU A 83 13.399 6.634 -5.760 1.00 0.00 C ATOM 1253 C GLU A 83 11.951 6.210 -5.505 1.00 0.00 C ATOM 1254 O GLU A 83 11.488 6.224 -4.365 1.00 0.00 O ATOM 1255 CB GLU A 83 14.367 5.490 -5.450 1.00 0.00 C ATOM 1256 CG GLU A 83 15.695 5.682 -6.185 1.00 0.00 C ATOM 1257 CD GLU A 83 16.868 5.705 -5.202 1.00 0.00 C ATOM 1258 OE1 GLU A 83 17.288 4.601 -4.794 1.00 0.00 O ATOM 1259 OE2 GLU A 83 17.317 6.826 -4.882 1.00 0.00 O ATOM 0 H GLU A 83 13.977 8.635 -5.534 1.00 0.00 H new ATOM 0 HA GLU A 83 13.505 6.880 -6.817 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.545 5.441 -4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.919 4.540 -5.743 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.836 4.876 -6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 83 15.671 6.614 -6.750 1.00 0.00 H new ATOM 1266 N ASP A 84 11.276 5.844 -6.585 1.00 0.00 N ATOM 1267 CA ASP A 84 9.890 5.418 -6.492 1.00 0.00 C ATOM 1268 C ASP A 84 9.788 4.237 -5.525 1.00 0.00 C ATOM 1269 O ASP A 84 10.800 3.758 -5.015 1.00 0.00 O ATOM 1270 CB ASP A 84 9.362 4.961 -7.853 1.00 0.00 C ATOM 1271 CG ASP A 84 8.824 6.080 -8.747 1.00 0.00 C ATOM 1272 OD1 ASP A 84 7.627 6.404 -8.593 1.00 0.00 O ATOM 1273 OD2 ASP A 84 9.623 6.586 -9.565 1.00 0.00 O ATOM 0 H ASP A 84 11.663 5.834 -7.529 1.00 0.00 H new ATOM 0 HA ASP A 84 9.300 6.265 -6.142 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.164 4.447 -8.383 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.568 4.232 -7.692 1.00 0.00 H new ATOM 1278 N TYR A 85 8.557 3.801 -5.301 1.00 0.00 N ATOM 1279 CA TYR A 85 8.309 2.685 -4.404 1.00 0.00 C ATOM 1280 C TYR A 85 7.350 1.675 -5.037 1.00 0.00 C ATOM 1281 O TYR A 85 6.224 2.022 -5.392 1.00 0.00 O ATOM 1282 CB TYR A 85 7.653 3.283 -3.158 1.00 0.00 C ATOM 1283 CG TYR A 85 8.328 2.881 -1.846 1.00 0.00 C ATOM 1284 CD1 TYR A 85 9.702 2.758 -1.785 1.00 0.00 C ATOM 1285 CD2 TYR A 85 7.564 2.642 -0.721 1.00 0.00 C ATOM 1286 CE1 TYR A 85 10.337 2.380 -0.550 1.00 0.00 C ATOM 1287 CE2 TYR A 85 8.200 2.264 0.514 1.00 0.00 C ATOM 1288 CZ TYR A 85 9.555 2.151 0.539 1.00 0.00 C ATOM 1289 OH TYR A 85 10.155 1.794 1.706 1.00 0.00 O ATOM 0 H TYR A 85 7.720 4.201 -5.726 1.00 0.00 H new ATOM 0 HA TYR A 85 9.238 2.162 -4.177 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.662 4.370 -3.241 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.608 2.974 -3.127 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.300 2.946 -2.664 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.489 2.739 -0.768 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.411 2.280 -0.489 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.614 2.074 1.401 1.00 0.00 H new ATOM 0 HH TYR A 85 9.473 1.664 2.398 1.00 0.00 H new ATOM 1299 N ILE A 86 7.830 0.446 -5.158 1.00 0.00 N ATOM 1300 CA ILE A 86 7.028 -0.616 -5.741 1.00 0.00 C ATOM 1301 C ILE A 86 6.397 -1.446 -4.622 1.00 0.00 C ATOM 1302 O ILE A 86 7.052 -2.310 -4.040 1.00 0.00 O ATOM 1303 CB ILE A 86 7.864 -1.441 -6.722 1.00 0.00 C ATOM 1304 CG1 ILE A 86 9.032 -0.619 -7.273 1.00 0.00 C ATOM 1305 CG2 ILE A 86 6.990 -2.016 -7.839 1.00 0.00 C ATOM 1306 CD1 ILE A 86 8.537 0.690 -7.892 1.00 0.00 C ATOM 0 H ILE A 86 8.764 0.162 -4.862 1.00 0.00 H new ATOM 0 HA ILE A 86 6.210 -0.198 -6.328 1.00 0.00 H new ATOM 0 HB ILE A 86 8.291 -2.285 -6.181 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.739 -0.402 -6.472 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.569 -1.200 -8.023 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.609 -2.598 -8.522 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.223 -2.659 -7.407 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.514 -1.201 -8.385 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.386 1.255 -8.276 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.849 0.469 -8.708 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.022 1.279 -7.133 1.00 0.00 H new ATOM 1318 N ILE A 87 5.132 -1.156 -4.354 1.00 0.00 N ATOM 1319 CA ILE A 87 4.406 -1.865 -3.315 1.00 0.00 C ATOM 1320 C ILE A 87 3.533 -2.946 -3.956 1.00 0.00 C ATOM 1321 O ILE A 87 2.908 -2.713 -4.989 1.00 0.00 O ATOM 1322 CB ILE A 87 3.624 -0.882 -2.442 1.00 0.00 C ATOM 1323 CG1 ILE A 87 4.415 0.410 -2.227 1.00 0.00 C ATOM 1324 CG2 ILE A 87 3.214 -1.530 -1.118 1.00 0.00 C ATOM 1325 CD1 ILE A 87 4.065 1.051 -0.883 1.00 0.00 C ATOM 0 H ILE A 87 4.592 -0.439 -4.839 1.00 0.00 H new ATOM 0 HA ILE A 87 5.100 -2.371 -2.643 1.00 0.00 H new ATOM 0 HB ILE A 87 2.707 -0.615 -2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.483 0.197 -2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.201 1.110 -3.034 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.660 -0.810 -0.517 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.584 -2.397 -1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.105 -1.845 -0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.641 1.967 -0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.001 1.285 -0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.303 0.358 -0.076 1.00 0.00 H new ATOM 1337 N GLU A 88 3.519 -4.106 -3.316 1.00 0.00 N ATOM 1338 CA GLU A 88 2.733 -5.224 -3.811 1.00 0.00 C ATOM 1339 C GLU A 88 1.947 -5.868 -2.667 1.00 0.00 C ATOM 1340 O GLU A 88 2.530 -6.301 -1.675 1.00 0.00 O ATOM 1341 CB GLU A 88 3.624 -6.253 -4.511 1.00 0.00 C ATOM 1342 CG GLU A 88 3.730 -5.958 -6.008 1.00 0.00 C ATOM 1343 CD GLU A 88 3.460 -7.216 -6.835 1.00 0.00 C ATOM 1344 OE1 GLU A 88 3.848 -8.304 -6.358 1.00 0.00 O ATOM 1345 OE2 GLU A 88 2.870 -7.062 -7.927 1.00 0.00 O ATOM 0 H GLU A 88 4.039 -4.296 -2.459 1.00 0.00 H new ATOM 0 HA GLU A 88 2.023 -4.846 -4.547 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.618 -6.243 -4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.217 -7.253 -4.362 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.017 -5.180 -6.280 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.724 -5.574 -6.237 1.00 0.00 H new ATOM 1352 N VAL A 89 0.635 -5.910 -2.844 1.00 0.00 N ATOM 1353 CA VAL A 89 -0.238 -6.493 -1.839 1.00 0.00 C ATOM 1354 C VAL A 89 -0.529 -7.949 -2.206 1.00 0.00 C ATOM 1355 O VAL A 89 -1.015 -8.232 -3.300 1.00 0.00 O ATOM 1356 CB VAL A 89 -1.505 -5.648 -1.692 1.00 0.00 C ATOM 1357 CG1 VAL A 89 -2.483 -6.293 -0.708 1.00 0.00 C ATOM 1358 CG2 VAL A 89 -1.165 -4.218 -1.270 1.00 0.00 C ATOM 0 H VAL A 89 0.155 -5.550 -3.669 1.00 0.00 H new ATOM 0 HA VAL A 89 0.249 -6.495 -0.864 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.992 -5.602 -2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.375 -5.672 -0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.763 -7.283 -1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.009 -6.384 0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.083 -3.639 -1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.644 -4.235 -0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.525 -3.759 -2.023 1.00 0.00 H new ATOM 1368 N LYS A 90 -0.221 -8.835 -1.270 1.00 0.00 N ATOM 1369 CA LYS A 90 -0.444 -10.255 -1.482 1.00 0.00 C ATOM 1370 C LYS A 90 -1.435 -10.773 -0.437 1.00 0.00 C ATOM 1371 O LYS A 90 -1.388 -10.366 0.723 1.00 0.00 O ATOM 1372 CB LYS A 90 0.887 -11.010 -1.494 1.00 0.00 C ATOM 1373 CG LYS A 90 1.360 -11.264 -2.927 1.00 0.00 C ATOM 1374 CD LYS A 90 2.141 -12.577 -3.022 1.00 0.00 C ATOM 1375 CE LYS A 90 3.227 -12.492 -4.097 1.00 0.00 C ATOM 1376 NZ LYS A 90 2.780 -13.161 -5.339 1.00 0.00 N ATOM 0 H LYS A 90 0.181 -8.597 -0.363 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.892 -10.428 -2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.640 -10.435 -0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.775 -11.959 -0.970 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.501 -11.299 -3.597 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.989 -10.438 -3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.596 -12.805 -2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.458 -13.395 -3.253 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.462 -11.448 -4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.143 -12.959 -3.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.431 -12.923 -6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.774 -14.191 -5.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.821 -12.839 -5.581 1.00 0.00 H new ATOM 1390 N ALA A 91 -2.308 -11.663 -0.886 1.00 0.00 N ATOM 1391 CA ALA A 91 -3.308 -12.240 -0.005 1.00 0.00 C ATOM 1392 C ALA A 91 -2.834 -13.617 0.465 1.00 0.00 C ATOM 1393 O ALA A 91 -2.737 -14.548 -0.333 1.00 0.00 O ATOM 1394 CB ALA A 91 -4.653 -12.302 -0.730 1.00 0.00 C ATOM 0 H ALA A 91 -2.343 -11.998 -1.849 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.444 -11.619 0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.403 -12.735 -0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.959 -11.296 -1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.557 -12.920 -1.623 1.00 0.00 H new ATOM 1400 N THR A 92 -2.553 -13.702 1.757 1.00 0.00 N ATOM 1401 CA THR A 92 -2.092 -14.950 2.342 1.00 0.00 C ATOM 1402 C THR A 92 -3.250 -15.677 3.028 1.00 0.00 C ATOM 1403 O THR A 92 -4.245 -15.056 3.399 1.00 0.00 O ATOM 1404 CB THR A 92 -0.931 -14.629 3.285 1.00 0.00 C ATOM 1405 OG1 THR A 92 -0.596 -15.888 3.863 1.00 0.00 O ATOM 1406 CG2 THR A 92 -1.365 -13.774 4.477 1.00 0.00 C ATOM 0 H THR A 92 -2.636 -12.927 2.415 1.00 0.00 H new ATOM 0 HA THR A 92 -1.728 -15.635 1.577 1.00 0.00 H new ATOM 0 HB THR A 92 -0.147 -14.110 2.733 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.150 -15.773 4.488 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.504 -13.575 5.115 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.776 -12.831 4.118 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.125 -14.306 5.049 1.00 0.00 H new ATOM 1414 N THR A 93 -3.082 -16.983 3.176 1.00 0.00 N ATOM 1415 CA THR A 93 -4.101 -17.801 3.812 1.00 0.00 C ATOM 1416 C THR A 93 -3.455 -18.826 4.746 1.00 0.00 C ATOM 1417 O THR A 93 -2.249 -18.781 4.985 1.00 0.00 O ATOM 1418 CB THR A 93 -4.953 -18.435 2.711 1.00 0.00 C ATOM 1419 OG1 THR A 93 -4.023 -19.201 1.950 1.00 0.00 O ATOM 1420 CG2 THR A 93 -5.487 -17.402 1.716 1.00 0.00 C ATOM 0 H THR A 93 -2.256 -17.495 2.867 1.00 0.00 H new ATOM 0 HA THR A 93 -4.755 -17.199 4.443 1.00 0.00 H new ATOM 0 HB THR A 93 -5.788 -18.971 3.162 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.492 -19.648 1.215 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.085 -17.904 0.956 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.106 -16.676 2.243 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.651 -16.889 1.240 1.00 0.00 H new ATOM 1428 N ASP A 94 -4.286 -19.727 5.249 1.00 0.00 N ATOM 1429 CA ASP A 94 -3.812 -20.761 6.152 1.00 0.00 C ATOM 1430 C ASP A 94 -2.814 -21.657 5.415 1.00 0.00 C ATOM 1431 O ASP A 94 -1.982 -22.312 6.041 1.00 0.00 O ATOM 1432 CB ASP A 94 -4.966 -21.640 6.639 1.00 0.00 C ATOM 1433 CG ASP A 94 -4.997 -21.890 8.148 1.00 0.00 C ATOM 1434 OD1 ASP A 94 -4.230 -21.200 8.853 1.00 0.00 O ATOM 1435 OD2 ASP A 94 -5.788 -22.765 8.562 1.00 0.00 O ATOM 0 H ASP A 94 -5.285 -19.762 5.048 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.345 -20.273 7.008 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.907 -21.175 6.344 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.911 -22.601 6.128 1.00 0.00 H new ATOM 1440 N GLY A 95 -2.930 -21.657 4.095 1.00 0.00 N ATOM 1441 CA GLY A 95 -2.048 -22.461 3.267 1.00 0.00 C ATOM 1442 C GLY A 95 -0.730 -21.732 3.000 1.00 0.00 C ATOM 1443 O GLY A 95 0.329 -22.355 2.948 1.00 0.00 O ATOM 0 H GLY A 95 -3.621 -21.113 3.579 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.848 -23.412 3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.539 -22.689 2.321 1.00 0.00 H new ATOM 1447 N GLY A 96 -0.838 -20.421 2.838 1.00 0.00 N ATOM 1448 CA GLY A 96 0.333 -19.600 2.578 1.00 0.00 C ATOM 1449 C GLY A 96 -0.048 -18.326 1.821 1.00 0.00 C ATOM 1450 O GLY A 96 -1.209 -17.920 1.827 1.00 0.00 O ATOM 0 H GLY A 96 -1.718 -19.907 2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.814 -19.337 3.520 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.059 -20.169 1.997 1.00 0.00 H new ATOM 1454 N ASP A 97 0.952 -17.731 1.188 1.00 0.00 N ATOM 1455 CA ASP A 97 0.737 -16.512 0.428 1.00 0.00 C ATOM 1456 C ASP A 97 -0.297 -16.775 -0.668 1.00 0.00 C ATOM 1457 O ASP A 97 -0.892 -17.850 -0.720 1.00 0.00 O ATOM 1458 CB ASP A 97 2.030 -16.046 -0.244 1.00 0.00 C ATOM 1459 CG ASP A 97 3.306 -16.302 0.561 1.00 0.00 C ATOM 1460 OD1 ASP A 97 3.219 -16.216 1.805 1.00 0.00 O ATOM 1461 OD2 ASP A 97 4.339 -16.579 -0.086 1.00 0.00 O ATOM 0 H ASP A 97 1.914 -18.071 1.186 1.00 0.00 H new ATOM 0 HA ASP A 97 0.391 -15.742 1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.121 -16.545 -1.209 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.953 -14.977 -0.444 1.00 0.00 H new ATOM 1466 N GLY A 98 -0.480 -15.775 -1.518 1.00 0.00 N ATOM 1467 CA GLY A 98 -1.432 -15.885 -2.610 1.00 0.00 C ATOM 1468 C GLY A 98 -0.936 -15.132 -3.847 1.00 0.00 C ATOM 1469 O GLY A 98 0.183 -15.354 -4.306 1.00 0.00 O ATOM 0 H GLY A 98 0.015 -14.884 -1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.588 -16.935 -2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.397 -15.484 -2.298 1.00 0.00 H new ATOM 1473 N THR A 99 -1.795 -14.258 -4.351 1.00 0.00 N ATOM 1474 CA THR A 99 -1.458 -13.472 -5.526 1.00 0.00 C ATOM 1475 C THR A 99 -1.179 -12.020 -5.133 1.00 0.00 C ATOM 1476 O THR A 99 -1.715 -11.526 -4.143 1.00 0.00 O ATOM 1477 CB THR A 99 -2.598 -13.619 -6.536 1.00 0.00 C ATOM 1478 OG1 THR A 99 -2.884 -15.015 -6.535 1.00 0.00 O ATOM 1479 CG2 THR A 99 -2.150 -13.332 -7.970 1.00 0.00 C ATOM 0 H THR A 99 -2.723 -14.077 -3.968 1.00 0.00 H new ATOM 0 HA THR A 99 -0.542 -13.832 -5.994 1.00 0.00 H new ATOM 0 HB THR A 99 -3.410 -12.944 -6.267 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.749 -15.377 -7.436 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.997 -13.450 -8.646 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.773 -12.311 -8.036 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.361 -14.029 -8.251 1.00 0.00 H new ATOM 1487 N SER A 100 -0.339 -11.376 -5.931 1.00 0.00 N ATOM 1488 CA SER A 100 0.019 -9.990 -5.679 1.00 0.00 C ATOM 1489 C SER A 100 -0.731 -9.072 -6.647 1.00 0.00 C ATOM 1490 O SER A 100 -0.898 -9.405 -7.819 1.00 0.00 O ATOM 1491 CB SER A 100 1.528 -9.779 -5.809 1.00 0.00 C ATOM 1492 OG SER A 100 1.910 -9.455 -7.143 1.00 0.00 O ATOM 0 H SER A 100 0.104 -11.788 -6.752 1.00 0.00 H new ATOM 0 HA SER A 100 -0.268 -9.743 -4.657 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.841 -8.979 -5.138 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.049 -10.683 -5.492 1.00 0.00 H new ATOM 0 HG SER A 100 2.737 -9.929 -7.371 1.00 0.00 H new ATOM 1498 N SER A 101 -1.161 -7.935 -6.121 1.00 0.00 N ATOM 1499 CA SER A 101 -1.889 -6.967 -6.923 1.00 0.00 C ATOM 1500 C SER A 101 -0.911 -6.148 -7.768 1.00 0.00 C ATOM 1501 O SER A 101 0.302 -6.320 -7.662 1.00 0.00 O ATOM 1502 CB SER A 101 -2.732 -6.044 -6.042 1.00 0.00 C ATOM 1503 OG SER A 101 -1.925 -5.210 -5.215 1.00 0.00 O ATOM 0 H SER A 101 -1.019 -7.662 -5.148 1.00 0.00 H new ATOM 0 HA SER A 101 -2.565 -7.509 -7.584 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.368 -5.423 -6.673 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.393 -6.644 -5.416 1.00 0.00 H new ATOM 0 HG SER A 101 -1.725 -4.375 -5.688 1.00 0.00 H new ATOM 1509 N GLU A 102 -1.476 -5.273 -8.587 1.00 0.00 N ATOM 1510 CA GLU A 102 -0.670 -4.426 -9.449 1.00 0.00 C ATOM 1511 C GLU A 102 0.270 -3.557 -8.611 1.00 0.00 C ATOM 1512 O GLU A 102 -0.183 -2.754 -7.796 1.00 0.00 O ATOM 1513 CB GLU A 102 -1.553 -3.564 -10.353 1.00 0.00 C ATOM 1514 CG GLU A 102 -2.018 -2.302 -9.624 1.00 0.00 C ATOM 1515 CD GLU A 102 -3.243 -1.692 -10.309 1.00 0.00 C ATOM 1516 OE1 GLU A 102 -3.920 -2.448 -11.038 1.00 0.00 O ATOM 1517 OE2 GLU A 102 -3.474 -0.484 -10.087 1.00 0.00 O ATOM 0 H GLU A 102 -2.483 -5.132 -8.672 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.065 -5.066 -10.091 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.000 -3.287 -11.250 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.419 -4.140 -10.678 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.259 -2.544 -8.589 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.209 -1.572 -9.601 1.00 0.00 H new ATOM 1524 N GLN A 103 1.561 -3.746 -8.840 1.00 0.00 N ATOM 1525 CA GLN A 103 2.568 -2.989 -8.116 1.00 0.00 C ATOM 1526 C GLN A 103 2.192 -1.507 -8.077 1.00 0.00 C ATOM 1527 O GLN A 103 1.759 -0.946 -9.082 1.00 0.00 O ATOM 1528 CB GLN A 103 3.953 -3.187 -8.735 1.00 0.00 C ATOM 1529 CG GLN A 103 4.233 -2.128 -9.803 1.00 0.00 C ATOM 1530 CD GLN A 103 5.589 -2.366 -10.470 1.00 0.00 C ATOM 1531 OE1 GLN A 103 6.068 -3.483 -10.579 1.00 0.00 O ATOM 1532 NE2 GLN A 103 6.179 -1.258 -10.909 1.00 0.00 N ATOM 0 H GLN A 103 1.933 -4.412 -9.517 1.00 0.00 H new ATOM 0 HA GLN A 103 2.607 -3.361 -7.092 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.714 -3.134 -7.957 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.019 -4.181 -9.177 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.445 -2.149 -10.556 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.216 -1.137 -9.350 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.723 -0.354 -10.786 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.088 -1.312 -11.369 1.00 0.00 H new ATOM 1541 N ILE A 104 2.371 -0.914 -6.905 1.00 0.00 N ATOM 1542 CA ILE A 104 2.056 0.492 -6.722 1.00 0.00 C ATOM 1543 C ILE A 104 3.290 1.334 -7.051 1.00 0.00 C ATOM 1544 O ILE A 104 4.420 0.886 -6.861 1.00 0.00 O ATOM 1545 CB ILE A 104 1.500 0.738 -5.318 1.00 0.00 C ATOM 1546 CG1 ILE A 104 0.701 -0.470 -4.825 1.00 0.00 C ATOM 1547 CG2 ILE A 104 0.677 2.027 -5.272 1.00 0.00 C ATOM 1548 CD1 ILE A 104 -0.425 -0.037 -3.884 1.00 0.00 C ATOM 0 H ILE A 104 2.730 -1.382 -6.073 1.00 0.00 H new ATOM 0 HA ILE A 104 1.268 0.798 -7.410 1.00 0.00 H new ATOM 0 HB ILE A 104 2.340 0.868 -4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.282 -1.005 -5.677 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.365 -1.163 -4.308 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.294 2.178 -4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.307 2.871 -5.551 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.157 1.951 -5.970 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.977 -0.915 -3.549 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -0.001 0.476 -3.021 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.101 0.637 -4.411 1.00 0.00 H new ATOM 1560 N ARG A 105 3.033 2.539 -7.538 1.00 0.00 N ATOM 1561 CA ARG A 105 4.109 3.448 -7.895 1.00 0.00 C ATOM 1562 C ARG A 105 4.028 4.723 -7.053 1.00 0.00 C ATOM 1563 O ARG A 105 3.215 5.603 -7.330 1.00 0.00 O ATOM 1564 CB ARG A 105 4.047 3.819 -9.378 1.00 0.00 C ATOM 1565 CG ARG A 105 5.451 3.999 -9.957 1.00 0.00 C ATOM 1566 CD ARG A 105 5.441 3.841 -11.479 1.00 0.00 C ATOM 1567 NE ARG A 105 6.622 4.513 -12.065 1.00 0.00 N ATOM 1568 CZ ARG A 105 6.986 4.405 -13.350 1.00 0.00 C ATOM 1569 NH1 ARG A 105 6.265 3.652 -14.191 1.00 0.00 N ATOM 1570 NH2 ARG A 105 8.073 5.051 -13.795 1.00 0.00 N ATOM 0 H ARG A 105 2.095 2.907 -7.694 1.00 0.00 H new ATOM 0 HA ARG A 105 5.053 2.939 -7.699 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.519 3.041 -9.929 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.477 4.740 -9.503 1.00 0.00 H new ATOM 0 HG2 ARG A 105 5.834 4.985 -9.693 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.127 3.266 -9.516 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.446 2.784 -11.743 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.527 4.269 -11.891 1.00 0.00 H new ATOM 0 HE ARG A 105 7.194 5.094 -11.453 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.438 3.160 -13.853 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.543 3.571 -15.169 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.623 5.625 -13.155 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.350 4.969 -14.773 1.00 0.00 H new ATOM 1584 N ILE A 106 4.882 4.782 -6.042 1.00 0.00 N ATOM 1585 CA ILE A 106 4.918 5.934 -5.158 1.00 0.00 C ATOM 1586 C ILE A 106 6.211 6.716 -5.398 1.00 0.00 C ATOM 1587 O ILE A 106 7.275 6.323 -4.922 1.00 0.00 O ATOM 1588 CB ILE A 106 4.722 5.501 -3.704 1.00 0.00 C ATOM 1589 CG1 ILE A 106 3.346 4.861 -3.503 1.00 0.00 C ATOM 1590 CG2 ILE A 106 4.954 6.671 -2.747 1.00 0.00 C ATOM 1591 CD1 ILE A 106 3.296 4.070 -2.195 1.00 0.00 C ATOM 0 H ILE A 106 5.555 4.050 -5.815 1.00 0.00 H new ATOM 0 HA ILE A 106 4.091 6.609 -5.379 1.00 0.00 H new ATOM 0 HB ILE A 106 5.468 4.741 -3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.579 5.635 -3.494 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.122 4.200 -4.341 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.808 6.336 -1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.972 7.042 -2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.248 7.470 -2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.308 3.625 -2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.048 3.282 -2.218 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.496 4.738 -1.358 1.00 0.00 H new ATOM 1603 N PRO A 107 6.074 7.837 -6.155 1.00 0.00 N ATOM 1604 CA PRO A 107 7.218 8.677 -6.463 1.00 0.00 C ATOM 1605 C PRO A 107 7.633 9.507 -5.247 1.00 0.00 C ATOM 1606 O PRO A 107 6.923 9.542 -4.243 1.00 0.00 O ATOM 1607 CB PRO A 107 6.775 9.530 -7.641 1.00 0.00 C ATOM 1608 CG PRO A 107 5.256 9.468 -7.651 1.00 0.00 C ATOM 1609 CD PRO A 107 4.829 8.333 -6.735 1.00 0.00 C ATOM 0 HA PRO A 107 8.106 8.099 -6.718 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.123 10.557 -7.533 1.00 0.00 H new ATOM 0 HB3 PRO A 107 7.188 9.150 -8.576 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.833 10.413 -7.310 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.888 9.301 -8.663 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.144 8.684 -5.963 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.311 7.550 -7.289 1.00 0.00 H new ATOM 1617 N ARG A 108 8.781 10.156 -5.376 1.00 0.00 N ATOM 1618 CA ARG A 108 9.299 10.984 -4.300 1.00 0.00 C ATOM 1619 C ARG A 108 8.188 11.869 -3.730 1.00 0.00 C ATOM 1620 O ARG A 108 7.403 12.446 -4.481 1.00 0.00 O ATOM 1621 CB ARG A 108 10.447 11.869 -4.789 1.00 0.00 C ATOM 1622 CG ARG A 108 11.761 11.087 -4.834 1.00 0.00 C ATOM 1623 CD ARG A 108 12.307 11.012 -6.261 1.00 0.00 C ATOM 1624 NE ARG A 108 12.413 12.373 -6.834 1.00 0.00 N ATOM 1625 CZ ARG A 108 12.900 12.638 -8.054 1.00 0.00 C ATOM 1626 NH1 ARG A 108 13.328 11.638 -8.837 1.00 0.00 N ATOM 1627 NH2 ARG A 108 12.958 13.903 -8.491 1.00 0.00 N ATOM 0 H ARG A 108 9.367 10.125 -6.210 1.00 0.00 H new ATOM 0 HA ARG A 108 9.675 10.320 -3.522 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.216 12.256 -5.782 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.554 12.730 -4.129 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.495 11.565 -4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.602 10.080 -4.448 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.285 10.531 -6.260 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.651 10.398 -6.879 1.00 0.00 H new ATOM 0 HE ARG A 108 12.096 13.158 -6.265 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.283 10.675 -8.504 1.00 0.00 H new ATOM 0 HH12 ARG A 108 13.699 11.840 -9.766 1.00 0.00 H new ATOM 0 HH21 ARG A 108 12.632 14.664 -7.895 1.00 0.00 H new ATOM 0 HH22 ARG A 108 13.329 14.105 -9.420 1.00 0.00 H new