USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=8 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 GLN : amide:sc= -0.136 K(o=-3.1,f=-4.1) USER MOD Set 1.2: A 48 ASN : amide:sc= -2.95! C(o=-3.1!,f=-3.7!) USER MOD Single : A 15 ASN : amide:sc= -3.26! C(o=-3.3!,f=-4.5!) USER MOD Single : A 17 GLN : amide:sc= -1.58 K(o=-1.6,f=-3) USER MOD Single : A 19 LYS NZ :NH3+ -154:sc= -0.0219 (180deg=-0.395) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.4!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.238 K(o=-0.24,f=-2.5!) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0243 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -11:sc= 0.331 USER MOD Single : A 95 GLN : amide:sc=-0.00519 X(o=-0.0052,f=0) USER MOD ----------------------------------------------------------------- ATOM 144 N LEU A 13 -4.961 19.402 9.955 1.00 0.00 N ATOM 145 CA LEU A 13 -4.311 18.900 8.756 1.00 0.00 C ATOM 146 C LEU A 13 -5.257 17.938 8.034 1.00 0.00 C ATOM 147 O LEU A 13 -6.102 17.303 8.663 1.00 0.00 O ATOM 148 CB LEU A 13 -2.954 18.283 9.101 1.00 0.00 C ATOM 149 CG LEU A 13 -1.774 19.255 9.168 1.00 0.00 C ATOM 150 CD1 LEU A 13 -0.886 18.957 10.378 1.00 0.00 C ATOM 151 CD2 LEU A 13 -0.981 19.245 7.859 1.00 0.00 C ATOM 0 HA LEU A 13 -4.098 19.717 8.067 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.040 17.780 10.064 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.726 17.517 8.360 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.168 20.263 9.298 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.055 19.662 10.402 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.472 19.055 11.292 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.498 17.941 10.303 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.148 19.944 7.933 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.597 18.242 7.674 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.632 19.542 7.037 1.00 0.00 H new ATOM 163 N PRO A 14 -5.079 17.860 6.688 1.00 0.00 N ATOM 164 CA PRO A 14 -5.906 16.987 5.873 1.00 0.00 C ATOM 165 C PRO A 14 -5.497 15.523 6.047 1.00 0.00 C ATOM 166 O PRO A 14 -4.362 15.233 6.422 1.00 0.00 O ATOM 167 CB PRO A 14 -5.726 17.489 4.450 1.00 0.00 C ATOM 168 CG PRO A 14 -4.453 18.320 4.459 1.00 0.00 C ATOM 169 CD PRO A 14 -4.089 18.598 5.909 1.00 0.00 C ATOM 0 HA PRO A 14 -6.957 17.015 6.161 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.645 16.658 3.750 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.581 18.088 4.136 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.645 17.787 3.958 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.603 19.254 3.917 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -3.077 18.262 6.135 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.127 19.665 6.129 1.00 0.00 H new ATOM 177 N ASN A 15 -6.443 14.640 5.766 1.00 0.00 N ATOM 178 CA ASN A 15 -6.194 13.213 5.887 1.00 0.00 C ATOM 179 C ASN A 15 -7.230 12.448 5.060 1.00 0.00 C ATOM 180 O ASN A 15 -8.362 12.902 4.902 1.00 0.00 O ATOM 181 CB ASN A 15 -6.318 12.754 7.341 1.00 0.00 C ATOM 182 CG ASN A 15 -5.862 13.853 8.304 1.00 0.00 C ATOM 183 OD1 ASN A 15 -4.683 14.068 8.528 1.00 0.00 O ATOM 184 ND2 ASN A 15 -6.861 14.533 8.859 1.00 0.00 N ATOM 0 H ASN A 15 -7.383 14.884 5.455 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.183 13.015 5.531 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -7.353 12.485 7.554 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.717 11.858 7.496 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.661 15.287 9.517 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.827 14.301 8.627 1.00 0.00 H new ATOM 191 N ARG A 16 -6.804 11.299 4.555 1.00 0.00 N ATOM 192 CA ARG A 16 -7.680 10.466 3.748 1.00 0.00 C ATOM 193 C ARG A 16 -7.309 8.991 3.913 1.00 0.00 C ATOM 194 O ARG A 16 -6.138 8.627 3.818 1.00 0.00 O ATOM 195 CB ARG A 16 -7.591 10.845 2.268 1.00 0.00 C ATOM 196 CG ARG A 16 -8.980 11.121 1.689 1.00 0.00 C ATOM 197 CD ARG A 16 -9.753 9.818 1.473 1.00 0.00 C ATOM 198 NE ARG A 16 -10.236 9.741 0.077 1.00 0.00 N ATOM 199 CZ ARG A 16 -11.359 10.324 -0.363 1.00 0.00 C ATOM 200 NH1 ARG A 16 -12.122 11.030 0.482 1.00 0.00 N ATOM 201 NH2 ARG A 16 -11.720 10.200 -1.648 1.00 0.00 N ATOM 0 H ARG A 16 -5.864 10.926 4.689 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.702 10.628 4.092 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.963 11.728 2.152 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.114 10.039 1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.537 11.771 2.364 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.884 11.652 0.742 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.111 8.964 1.692 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.597 9.768 2.162 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.679 9.211 -0.593 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.848 11.124 1.460 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.977 11.474 0.147 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.140 9.662 -2.291 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.575 10.644 -1.983 1.00 0.00 H new ATOM 215 N GLN A 17 -8.329 8.181 4.157 1.00 0.00 N ATOM 216 CA GLN A 17 -8.126 6.754 4.335 1.00 0.00 C ATOM 217 C GLN A 17 -9.064 5.965 3.420 1.00 0.00 C ATOM 218 O GLN A 17 -10.240 6.301 3.293 1.00 0.00 O ATOM 219 CB GLN A 17 -8.321 6.351 5.798 1.00 0.00 C ATOM 220 CG GLN A 17 -9.794 6.444 6.201 1.00 0.00 C ATOM 221 CD GLN A 17 -10.233 7.904 6.340 1.00 0.00 C ATOM 222 OE1 GLN A 17 -9.456 8.784 6.670 1.00 0.00 O ATOM 223 NE2 GLN A 17 -11.519 8.109 6.070 1.00 0.00 N ATOM 0 H GLN A 17 -9.299 8.487 4.236 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.098 6.517 4.060 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.963 5.333 5.949 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.723 6.998 6.440 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.411 5.944 5.454 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.950 5.922 7.145 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -12.114 7.326 5.799 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.910 9.049 6.134 1.00 0.00 H new ATOM 232 N LEU A 18 -8.508 4.931 2.805 1.00 0.00 N ATOM 233 CA LEU A 18 -9.280 4.092 1.905 1.00 0.00 C ATOM 234 C LEU A 18 -9.074 2.624 2.281 1.00 0.00 C ATOM 235 O LEU A 18 -8.167 2.296 3.044 1.00 0.00 O ATOM 236 CB LEU A 18 -8.934 4.408 0.448 1.00 0.00 C ATOM 237 CG LEU A 18 -9.042 5.878 0.037 1.00 0.00 C ATOM 238 CD1 LEU A 18 -7.914 6.263 -0.923 1.00 0.00 C ATOM 239 CD2 LEU A 18 -10.422 6.183 -0.549 1.00 0.00 C ATOM 0 H LEU A 18 -7.532 4.656 2.913 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.345 4.302 2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.915 4.071 0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.590 3.822 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.928 6.492 0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.014 7.313 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.952 6.106 -0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.972 5.645 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.472 7.234 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.589 5.561 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.189 5.971 0.196 1.00 0.00 H new ATOM 251 N LYS A 19 -9.932 1.778 1.729 1.00 0.00 N ATOM 252 CA LYS A 19 -9.856 0.352 1.997 1.00 0.00 C ATOM 253 C LYS A 19 -9.920 -0.415 0.675 1.00 0.00 C ATOM 254 O LYS A 19 -10.980 -0.509 0.058 1.00 0.00 O ATOM 255 CB LYS A 19 -10.933 -0.062 3.001 1.00 0.00 C ATOM 256 CG LYS A 19 -10.376 -0.081 4.426 1.00 0.00 C ATOM 257 CD LYS A 19 -10.908 -1.284 5.207 1.00 0.00 C ATOM 258 CE LYS A 19 -11.372 -0.870 6.604 1.00 0.00 C ATOM 259 NZ LYS A 19 -10.287 -0.165 7.323 1.00 0.00 N ATOM 0 H LYS A 19 -10.684 2.053 1.097 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.904 0.102 2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.773 0.630 2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.315 -1.050 2.743 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.287 -0.116 4.394 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.650 0.841 4.940 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.738 -1.736 4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.129 -2.042 5.289 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.245 -0.223 6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.677 -1.751 7.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.420 -0.277 8.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.369 -0.568 7.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.309 0.846 7.079 1.00 0.00 H new ATOM 273 N VAL A 20 -8.771 -0.944 0.278 1.00 0.00 N ATOM 274 CA VAL A 20 -8.683 -1.700 -0.960 1.00 0.00 C ATOM 275 C VAL A 20 -9.082 -3.153 -0.694 1.00 0.00 C ATOM 276 O VAL A 20 -8.226 -3.999 -0.440 1.00 0.00 O ATOM 277 CB VAL A 20 -7.281 -1.565 -1.557 1.00 0.00 C ATOM 278 CG1 VAL A 20 -7.212 -2.205 -2.944 1.00 0.00 C ATOM 279 CG2 VAL A 20 -6.846 -0.099 -1.607 1.00 0.00 C ATOM 0 H VAL A 20 -7.894 -0.864 0.792 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.377 -1.302 -1.701 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.587 -2.099 -0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.205 -2.095 -3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.459 -3.264 -2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.923 -1.713 -3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.846 -0.031 -2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.544 0.467 -2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.837 0.313 -0.598 1.00 0.00 H new ATOM 289 N LYS A 21 -10.383 -3.398 -0.762 1.00 0.00 N ATOM 290 CA LYS A 21 -10.906 -4.734 -0.532 1.00 0.00 C ATOM 291 C LYS A 21 -10.276 -5.703 -1.535 1.00 0.00 C ATOM 292 O LYS A 21 -10.832 -5.941 -2.605 1.00 0.00 O ATOM 293 CB LYS A 21 -12.435 -4.723 -0.564 1.00 0.00 C ATOM 294 CG LYS A 21 -13.014 -4.853 0.847 1.00 0.00 C ATOM 295 CD LYS A 21 -14.538 -4.978 0.805 1.00 0.00 C ATOM 296 CE LYS A 21 -15.190 -4.099 1.874 1.00 0.00 C ATOM 297 NZ LYS A 21 -16.464 -4.698 2.331 1.00 0.00 N ATOM 0 H LYS A 21 -11.090 -2.694 -0.973 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.634 -5.084 0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.786 -3.798 -1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.795 -5.543 -1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.587 -5.727 1.340 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.733 -3.983 1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.903 -4.689 -0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.826 -6.018 0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.512 -3.982 2.720 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.373 -3.103 1.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.893 -4.089 3.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.115 -4.787 1.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.280 -5.639 2.734 1.00 0.00 H new ATOM 311 N VAL A 22 -9.125 -6.235 -1.152 1.00 0.00 N ATOM 312 CA VAL A 22 -8.414 -7.173 -2.004 1.00 0.00 C ATOM 313 C VAL A 22 -9.305 -8.386 -2.275 1.00 0.00 C ATOM 314 O VAL A 22 -10.508 -8.347 -2.019 1.00 0.00 O ATOM 315 CB VAL A 22 -7.073 -7.545 -1.368 1.00 0.00 C ATOM 316 CG1 VAL A 22 -6.212 -6.302 -1.135 1.00 0.00 C ATOM 317 CG2 VAL A 22 -7.281 -8.320 -0.065 1.00 0.00 C ATOM 0 H VAL A 22 -8.667 -6.034 -0.263 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.186 -6.717 -2.967 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.541 -8.194 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.265 -6.595 -0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.021 -5.808 -2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.736 -5.616 -0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.313 -8.572 0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.843 -7.705 0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.836 -9.235 -0.271 1.00 0.00 H new ATOM 643 N GLN A 44 6.298 0.022 -1.479 1.00 0.00 N ATOM 644 CA GLN A 44 6.768 0.755 -0.316 1.00 0.00 C ATOM 645 C GLN A 44 7.842 1.765 -0.723 1.00 0.00 C ATOM 646 O GLN A 44 7.831 2.907 -0.266 1.00 0.00 O ATOM 647 CB GLN A 44 7.293 -0.199 0.759 1.00 0.00 C ATOM 648 CG GLN A 44 6.736 0.167 2.136 1.00 0.00 C ATOM 649 CD GLN A 44 7.713 -0.231 3.245 1.00 0.00 C ATOM 650 OE1 GLN A 44 8.917 -0.072 3.134 1.00 0.00 O ATOM 651 NE2 GLN A 44 7.128 -0.755 4.319 1.00 0.00 N ATOM 0 HA GLN A 44 5.926 1.301 0.109 1.00 0.00 H new ATOM 0 HB2 GLN A 44 7.013 -1.223 0.510 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.382 -0.163 0.782 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.545 1.239 2.182 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.780 -0.334 2.291 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.114 -0.860 4.347 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.694 -1.051 5.114 1.00 0.00 H new ATOM 660 N GLU A 45 8.744 1.309 -1.580 1.00 0.00 N ATOM 661 CA GLU A 45 9.823 2.158 -2.055 1.00 0.00 C ATOM 662 C GLU A 45 9.259 3.337 -2.851 1.00 0.00 C ATOM 663 O GLU A 45 9.537 4.493 -2.535 1.00 0.00 O ATOM 664 CB GLU A 45 10.822 1.359 -2.893 1.00 0.00 C ATOM 665 CG GLU A 45 11.875 2.278 -3.516 1.00 0.00 C ATOM 666 CD GLU A 45 13.167 1.513 -3.808 1.00 0.00 C ATOM 667 OE1 GLU A 45 13.149 0.714 -4.769 1.00 0.00 O ATOM 668 OE2 GLU A 45 14.144 1.745 -3.064 1.00 0.00 O ATOM 0 H GLU A 45 8.749 0.362 -1.958 1.00 0.00 H new ATOM 0 HA GLU A 45 10.358 2.551 -1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.311 0.612 -2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.293 0.820 -3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.487 2.709 -4.439 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.084 3.108 -2.841 1.00 0.00 H new ATOM 675 N ALA A 46 8.478 3.004 -3.867 1.00 0.00 N ATOM 676 CA ALA A 46 7.872 4.020 -4.711 1.00 0.00 C ATOM 677 C ALA A 46 7.210 5.080 -3.829 1.00 0.00 C ATOM 678 O ALA A 46 7.632 6.236 -3.818 1.00 0.00 O ATOM 679 CB ALA A 46 6.883 3.362 -5.674 1.00 0.00 C ATOM 0 H ALA A 46 8.250 2.044 -4.126 1.00 0.00 H new ATOM 0 HA ALA A 46 8.630 4.519 -5.315 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.429 4.125 -6.307 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.409 2.639 -6.298 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.105 2.853 -5.105 1.00 0.00 H new ATOM 685 N ILE A 47 6.183 4.649 -3.111 1.00 0.00 N ATOM 686 CA ILE A 47 5.458 5.547 -2.228 1.00 0.00 C ATOM 687 C ILE A 47 6.450 6.267 -1.313 1.00 0.00 C ATOM 688 O ILE A 47 6.438 7.494 -1.221 1.00 0.00 O ATOM 689 CB ILE A 47 4.364 4.789 -1.474 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.161 4.517 -2.379 1.00 0.00 C ATOM 691 CG2 ILE A 47 3.964 5.530 -0.196 1.00 0.00 C ATOM 692 CD1 ILE A 47 2.459 3.216 -1.983 1.00 0.00 C ATOM 0 H ILE A 47 5.836 3.690 -3.123 1.00 0.00 H new ATOM 0 HA ILE A 47 4.942 6.314 -2.805 1.00 0.00 H new ATOM 0 HB ILE A 47 4.765 3.821 -1.173 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.458 5.348 -2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.489 4.456 -3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.185 4.970 0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.833 5.628 0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.589 6.521 -0.452 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.608 3.047 -2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.158 2.384 -2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.111 3.289 -0.953 1.00 0.00 H new ATOM 704 N ASN A 48 7.286 5.474 -0.659 1.00 0.00 N ATOM 705 CA ASN A 48 8.283 6.020 0.245 1.00 0.00 C ATOM 706 C ASN A 48 8.947 7.234 -0.407 1.00 0.00 C ATOM 707 O ASN A 48 9.379 8.156 0.283 1.00 0.00 O ATOM 708 CB ASN A 48 9.374 4.991 0.549 1.00 0.00 C ATOM 709 CG ASN A 48 8.999 4.138 1.763 1.00 0.00 C ATOM 710 OD1 ASN A 48 8.342 4.584 2.689 1.00 0.00 O ATOM 711 ND2 ASN A 48 9.453 2.889 1.706 1.00 0.00 N ATOM 0 H ASN A 48 7.293 4.457 -0.738 1.00 0.00 H new ATOM 0 HA ASN A 48 7.781 6.298 1.172 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.525 4.349 -0.319 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.319 5.502 0.736 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.257 2.240 2.468 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.998 2.581 0.901 1.00 0.00 H new ATOM 718 N ASP A 49 9.007 7.196 -1.730 1.00 0.00 N ATOM 719 CA ASP A 49 9.611 8.281 -2.484 1.00 0.00 C ATOM 720 C ASP A 49 8.572 9.382 -2.707 1.00 0.00 C ATOM 721 O ASP A 49 8.867 10.563 -2.533 1.00 0.00 O ATOM 722 CB ASP A 49 10.091 7.800 -3.855 1.00 0.00 C ATOM 723 CG ASP A 49 11.229 8.620 -4.466 1.00 0.00 C ATOM 724 OD1 ASP A 49 11.640 9.600 -3.808 1.00 0.00 O ATOM 725 OD2 ASP A 49 11.662 8.249 -5.579 1.00 0.00 O ATOM 0 H ASP A 49 8.647 6.430 -2.299 1.00 0.00 H new ATOM 0 HA ASP A 49 10.462 8.653 -1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.417 6.764 -3.766 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.246 7.810 -4.543 1.00 0.00 H new ATOM 730 N LEU A 50 7.377 8.955 -3.089 1.00 0.00 N ATOM 731 CA LEU A 50 6.293 9.889 -3.337 1.00 0.00 C ATOM 732 C LEU A 50 5.994 10.670 -2.056 1.00 0.00 C ATOM 733 O LEU A 50 5.352 11.718 -2.098 1.00 0.00 O ATOM 734 CB LEU A 50 5.076 9.158 -3.909 1.00 0.00 C ATOM 735 CG LEU A 50 5.193 8.699 -5.364 1.00 0.00 C ATOM 736 CD1 LEU A 50 4.755 7.241 -5.516 1.00 0.00 C ATOM 737 CD2 LEU A 50 4.417 9.631 -6.297 1.00 0.00 C ATOM 0 H LEU A 50 7.136 7.974 -3.233 1.00 0.00 H new ATOM 0 HA LEU A 50 6.584 10.617 -4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.876 8.285 -3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.210 9.814 -3.824 1.00 0.00 H new ATOM 0 HG LEU A 50 6.242 8.752 -5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.848 6.940 -6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.388 6.605 -4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.717 7.138 -5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.517 9.282 -7.325 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.364 9.634 -6.015 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.817 10.642 -6.216 1.00 0.00 H new ATOM 749 N VAL A 51 6.475 10.129 -0.946 1.00 0.00 N ATOM 750 CA VAL A 51 6.268 10.762 0.346 1.00 0.00 C ATOM 751 C VAL A 51 7.262 11.913 0.510 1.00 0.00 C ATOM 752 O VAL A 51 6.996 12.869 1.238 1.00 0.00 O ATOM 753 CB VAL A 51 6.371 9.720 1.462 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.342 10.387 2.838 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.263 8.672 1.337 1.00 0.00 C ATOM 0 H VAL A 51 7.007 9.260 -0.915 1.00 0.00 H new ATOM 0 HA VAL A 51 5.266 11.186 0.407 1.00 0.00 H new ATOM 0 HB VAL A 51 7.328 9.209 1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.417 9.625 3.614 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.181 11.077 2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.407 10.935 2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.359 7.943 2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.291 9.161 1.404 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.349 8.165 0.376 1.00 0.00 H new ATOM 765 N LYS A 52 8.386 11.785 -0.179 1.00 0.00 N ATOM 766 CA LYS A 52 9.421 12.803 -0.119 1.00 0.00 C ATOM 767 C LYS A 52 9.305 13.715 -1.342 1.00 0.00 C ATOM 768 O LYS A 52 9.589 14.909 -1.260 1.00 0.00 O ATOM 769 CB LYS A 52 10.799 12.158 0.039 1.00 0.00 C ATOM 770 CG LYS A 52 11.457 11.930 -1.324 1.00 0.00 C ATOM 771 CD LYS A 52 12.883 11.398 -1.163 1.00 0.00 C ATOM 772 CE LYS A 52 13.887 12.291 -1.893 1.00 0.00 C ATOM 773 NZ LYS A 52 15.143 11.553 -2.155 1.00 0.00 N ATOM 0 H LYS A 52 8.603 10.991 -0.782 1.00 0.00 H new ATOM 0 HA LYS A 52 9.286 13.431 0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.435 12.797 0.652 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.702 11.207 0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.864 11.222 -1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.475 12.865 -1.884 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.139 11.347 -0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.942 10.382 -1.554 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.458 12.637 -2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.097 13.177 -1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.814 12.174 -2.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.559 11.245 -1.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.940 10.721 -2.745 1.00 0.00 H new ATOM 787 N LYS A 53 8.888 13.117 -2.449 1.00 0.00 N ATOM 788 CA LYS A 53 8.732 13.861 -3.687 1.00 0.00 C ATOM 789 C LYS A 53 7.674 14.949 -3.493 1.00 0.00 C ATOM 790 O LYS A 53 7.631 15.920 -4.248 1.00 0.00 O ATOM 791 CB LYS A 53 8.430 12.911 -4.848 1.00 0.00 C ATOM 792 CG LYS A 53 9.640 12.028 -5.162 1.00 0.00 C ATOM 793 CD LYS A 53 9.354 11.108 -6.351 1.00 0.00 C ATOM 794 CE LYS A 53 8.571 11.846 -7.438 1.00 0.00 C ATOM 795 NZ LYS A 53 8.678 11.131 -8.730 1.00 0.00 N ATOM 0 H LYS A 53 8.654 12.126 -2.514 1.00 0.00 H new ATOM 0 HA LYS A 53 9.663 14.363 -3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.574 12.285 -4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.156 13.487 -5.732 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.504 12.654 -5.382 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.895 11.429 -4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.293 10.737 -6.762 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.787 10.239 -6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.524 11.929 -7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.954 12.861 -7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.141 11.645 -9.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.677 11.074 -9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.291 10.171 -8.628 1.00 0.00 H new ATOM 809 N TYR A 54 6.846 14.751 -2.477 1.00 0.00 N ATOM 810 CA TYR A 54 5.792 15.704 -2.175 1.00 0.00 C ATOM 811 C TYR A 54 6.194 16.617 -1.016 1.00 0.00 C ATOM 812 O TYR A 54 7.309 16.524 -0.505 1.00 0.00 O ATOM 813 CB TYR A 54 4.579 14.871 -1.755 1.00 0.00 C ATOM 814 CG TYR A 54 3.755 14.335 -2.928 1.00 0.00 C ATOM 815 CD1 TYR A 54 4.391 13.865 -4.059 1.00 0.00 C ATOM 816 CD2 TYR A 54 2.377 14.323 -2.855 1.00 0.00 C ATOM 817 CE1 TYR A 54 3.615 13.361 -5.163 1.00 0.00 C ATOM 818 CE2 TYR A 54 1.602 13.819 -3.959 1.00 0.00 C ATOM 819 CZ TYR A 54 2.259 13.363 -5.058 1.00 0.00 C ATOM 820 OH TYR A 54 1.527 12.887 -6.101 1.00 0.00 O ATOM 0 H TYR A 54 6.884 13.945 -1.853 1.00 0.00 H new ATOM 0 HA TYR A 54 5.587 16.336 -3.039 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.920 14.031 -1.150 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.935 15.480 -1.120 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.469 13.875 -4.116 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.880 14.692 -1.970 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.099 12.990 -6.054 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.523 13.804 -3.915 1.00 0.00 H new ATOM 0 HH TYR A 54 0.573 12.948 -5.886 1.00 0.00 H new ATOM 830 N THR A 55 5.264 17.480 -0.634 1.00 0.00 N ATOM 831 CA THR A 55 5.508 18.410 0.456 1.00 0.00 C ATOM 832 C THR A 55 4.803 17.937 1.729 1.00 0.00 C ATOM 833 O THR A 55 3.580 17.806 1.753 1.00 0.00 O ATOM 834 CB THR A 55 5.066 19.801 -0.002 1.00 0.00 C ATOM 835 OG1 THR A 55 6.238 20.364 -0.584 1.00 0.00 O ATOM 836 CG2 THR A 55 4.750 20.731 1.172 1.00 0.00 C ATOM 0 H THR A 55 4.340 17.555 -1.060 1.00 0.00 H new ATOM 0 HA THR A 55 6.568 18.456 0.707 1.00 0.00 H new ATOM 0 HB THR A 55 4.187 19.710 -0.641 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.040 21.267 -0.909 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.441 21.705 0.792 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.945 20.303 1.769 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.638 20.849 1.792 1.00 0.00 H new ATOM 844 N LEU A 56 5.605 17.693 2.755 1.00 0.00 N ATOM 845 CA LEU A 56 5.073 17.237 4.028 1.00 0.00 C ATOM 846 C LEU A 56 4.019 16.156 3.778 1.00 0.00 C ATOM 847 O LEU A 56 2.887 16.268 4.246 1.00 0.00 O ATOM 848 CB LEU A 56 4.557 18.421 4.848 1.00 0.00 C ATOM 849 CG LEU A 56 5.626 19.332 5.457 1.00 0.00 C ATOM 850 CD1 LEU A 56 6.752 18.510 6.086 1.00 0.00 C ATOM 851 CD2 LEU A 56 6.152 20.327 4.421 1.00 0.00 C ATOM 0 H LEU A 56 6.619 17.802 2.731 1.00 0.00 H new ATOM 0 HA LEU A 56 5.860 16.782 4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.913 19.026 4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.934 18.035 5.655 1.00 0.00 H new ATOM 0 HG LEU A 56 5.166 19.913 6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.498 19.181 6.511 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.344 17.876 6.873 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.218 17.887 5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.910 20.962 4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.591 19.783 3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.330 20.945 4.060 1.00 0.00 H new ATOM 863 N ALA A 57 4.429 15.134 3.041 1.00 0.00 N ATOM 864 CA ALA A 57 3.534 14.034 2.723 1.00 0.00 C ATOM 865 C ALA A 57 3.783 12.882 3.698 1.00 0.00 C ATOM 866 O ALA A 57 4.830 12.824 4.342 1.00 0.00 O ATOM 867 CB ALA A 57 3.735 13.618 1.265 1.00 0.00 C ATOM 0 H ALA A 57 5.369 15.044 2.655 1.00 0.00 H new ATOM 0 HA ALA A 57 2.494 14.341 2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.064 12.793 1.026 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.517 14.463 0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.767 13.301 1.116 1.00 0.00 H new ATOM 873 N ARG A 58 2.804 11.993 3.777 1.00 0.00 N ATOM 874 CA ARG A 58 2.904 10.846 4.663 1.00 0.00 C ATOM 875 C ARG A 58 1.801 9.833 4.346 1.00 0.00 C ATOM 876 O ARG A 58 0.621 10.181 4.327 1.00 0.00 O ATOM 877 CB ARG A 58 2.792 11.270 6.128 1.00 0.00 C ATOM 878 CG ARG A 58 4.102 11.012 6.875 1.00 0.00 C ATOM 879 CD ARG A 58 4.146 11.792 8.191 1.00 0.00 C ATOM 880 NE ARG A 58 5.549 11.966 8.630 1.00 0.00 N ATOM 881 CZ ARG A 58 5.907 12.441 9.830 1.00 0.00 C ATOM 882 NH1 ARG A 58 4.968 12.794 10.718 1.00 0.00 N ATOM 883 NH2 ARG A 58 7.204 12.564 10.142 1.00 0.00 N ATOM 0 H ARG A 58 1.937 12.044 3.242 1.00 0.00 H new ATOM 0 HA ARG A 58 3.880 10.388 4.503 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.539 12.329 6.186 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.981 10.722 6.608 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.206 9.946 7.076 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.945 11.302 6.248 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.673 12.766 8.062 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.580 11.262 8.957 1.00 0.00 H new ATOM 0 HE ARG A 58 6.289 11.708 7.978 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.980 12.701 10.480 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.241 13.156 11.632 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.919 12.296 9.466 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.477 12.926 11.056 1.00 0.00 H new ATOM 897 N ALA A 59 2.224 8.601 4.106 1.00 0.00 N ATOM 898 CA ALA A 59 1.288 7.536 3.791 1.00 0.00 C ATOM 899 C ALA A 59 1.704 6.262 4.528 1.00 0.00 C ATOM 900 O ALA A 59 2.854 6.129 4.944 1.00 0.00 O ATOM 901 CB ALA A 59 1.228 7.339 2.275 1.00 0.00 C ATOM 0 H ALA A 59 3.203 8.316 4.123 1.00 0.00 H new ATOM 0 HA ALA A 59 0.284 7.797 4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.525 6.540 2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.898 8.263 1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.218 7.073 1.903 1.00 0.00 H new ATOM 907 N PHE A 60 0.746 5.357 4.668 1.00 0.00 N ATOM 908 CA PHE A 60 0.999 4.098 5.348 1.00 0.00 C ATOM 909 C PHE A 60 -0.068 3.060 4.995 1.00 0.00 C ATOM 910 O PHE A 60 -1.084 3.392 4.387 1.00 0.00 O ATOM 911 CB PHE A 60 0.942 4.382 6.850 1.00 0.00 C ATOM 912 CG PHE A 60 1.997 5.377 7.337 1.00 0.00 C ATOM 913 CD1 PHE A 60 3.306 5.010 7.386 1.00 0.00 C ATOM 914 CD2 PHE A 60 1.627 6.628 7.719 1.00 0.00 C ATOM 915 CE1 PHE A 60 4.285 5.933 7.838 1.00 0.00 C ATOM 916 CE2 PHE A 60 2.607 7.552 8.171 1.00 0.00 C ATOM 917 CZ PHE A 60 3.915 7.185 8.221 1.00 0.00 C ATOM 0 H PHE A 60 -0.207 5.471 4.322 1.00 0.00 H new ATOM 0 HA PHE A 60 1.968 3.700 5.046 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.047 4.766 7.099 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.065 3.444 7.391 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.600 4.017 7.081 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.588 6.920 7.679 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.324 5.641 7.878 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.313 8.546 8.475 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.660 7.887 8.565 1.00 0.00 H new ATOM 927 N VAL A 61 0.199 1.825 5.393 1.00 0.00 N ATOM 928 CA VAL A 61 -0.726 0.737 5.127 1.00 0.00 C ATOM 929 C VAL A 61 -0.627 -0.298 6.250 1.00 0.00 C ATOM 930 O VAL A 61 0.429 -0.457 6.860 1.00 0.00 O ATOM 931 CB VAL A 61 -0.453 0.144 3.743 1.00 0.00 C ATOM 932 CG1 VAL A 61 -0.931 1.089 2.638 1.00 0.00 C ATOM 933 CG2 VAL A 61 1.030 -0.192 3.573 1.00 0.00 C ATOM 0 H VAL A 61 1.043 1.554 5.898 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.752 1.104 5.112 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.018 -0.784 3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.725 0.644 1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.003 1.257 2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.406 2.040 2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.197 -0.612 2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.624 0.715 3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.327 -0.919 4.329 1.00 0.00 H new ATOM 1059 N VAL A 70 -6.813 -4.070 3.223 1.00 0.00 N ATOM 1060 CA VAL A 70 -5.639 -3.215 3.252 1.00 0.00 C ATOM 1061 C VAL A 70 -6.072 -1.770 3.507 1.00 0.00 C ATOM 1062 O VAL A 70 -6.457 -1.060 2.579 1.00 0.00 O ATOM 1063 CB VAL A 70 -4.839 -3.380 1.958 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -3.637 -2.433 1.932 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -4.397 -4.832 1.768 1.00 0.00 C ATOM 0 HA VAL A 70 -4.976 -3.504 4.067 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.491 -3.117 1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.086 -2.570 1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.985 -1.402 1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.984 -2.651 2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.830 -4.922 0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.770 -5.134 2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.275 -5.476 1.720 1.00 0.00 H new ATOM 1075 N ARG A 71 -5.994 -1.376 4.770 1.00 0.00 N ATOM 1076 CA ARG A 71 -6.373 -0.029 5.159 1.00 0.00 C ATOM 1077 C ARG A 71 -5.314 0.975 4.697 1.00 0.00 C ATOM 1078 O ARG A 71 -4.142 0.853 5.051 1.00 0.00 O ATOM 1079 CB ARG A 71 -6.542 0.080 6.675 1.00 0.00 C ATOM 1080 CG ARG A 71 -5.184 0.188 7.372 1.00 0.00 C ATOM 1081 CD ARG A 71 -5.327 -0.001 8.884 1.00 0.00 C ATOM 1082 NE ARG A 71 -5.432 -1.442 9.206 1.00 0.00 N ATOM 1083 CZ ARG A 71 -5.414 -1.937 10.451 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -5.296 -1.110 11.499 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -5.515 -3.258 10.649 1.00 0.00 N ATOM 0 H ARG A 71 -5.674 -1.967 5.537 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.326 0.198 4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.148 0.953 6.915 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.078 -0.793 7.048 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.504 -0.564 6.971 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.741 1.162 7.164 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.468 0.433 9.396 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.211 0.526 9.243 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.524 -2.099 8.432 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.220 -0.104 11.349 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.282 -1.487 12.447 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.606 -3.888 9.852 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.501 -3.634 11.597 1.00 0.00 H new ATOM 1099 N VAL A 72 -5.764 1.944 3.914 1.00 0.00 N ATOM 1100 CA VAL A 72 -4.870 2.967 3.400 1.00 0.00 C ATOM 1101 C VAL A 72 -5.081 4.263 4.185 1.00 0.00 C ATOM 1102 O VAL A 72 -6.201 4.575 4.587 1.00 0.00 O ATOM 1103 CB VAL A 72 -5.081 3.139 1.895 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -4.545 4.490 1.417 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -4.441 1.989 1.116 1.00 0.00 C ATOM 0 H VAL A 72 -6.737 2.042 3.623 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.830 2.669 3.537 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.154 3.117 1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.708 4.587 0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.067 5.293 1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.478 4.554 1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.606 2.136 0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.370 1.965 1.318 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.890 1.045 1.426 1.00 0.00 H new ATOM 1115 N TYR A 73 -3.987 4.984 4.381 1.00 0.00 N ATOM 1116 CA TYR A 73 -4.038 6.239 5.111 1.00 0.00 C ATOM 1117 C TYR A 73 -2.875 7.151 4.716 1.00 0.00 C ATOM 1118 O TYR A 73 -1.719 6.730 4.728 1.00 0.00 O ATOM 1119 CB TYR A 73 -3.903 5.873 6.590 1.00 0.00 C ATOM 1120 CG TYR A 73 -4.632 6.827 7.537 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -4.054 8.031 7.884 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -5.869 6.485 8.045 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -4.741 8.930 8.775 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -6.556 7.383 8.936 1.00 0.00 C ATOM 1125 CZ TYR A 73 -5.958 8.562 9.257 1.00 0.00 C ATOM 1126 OH TYR A 73 -6.607 9.410 10.099 1.00 0.00 O ATOM 0 H TYR A 73 -3.059 4.723 4.047 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.965 6.771 4.895 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.288 4.864 6.740 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.846 5.854 6.854 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.086 8.299 7.487 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.322 5.543 7.774 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.299 9.875 9.054 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.524 7.127 9.340 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.465 9.016 10.362 1.00 0.00 H new ATOM 1136 N ALA A 74 -3.221 8.384 4.374 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.220 9.359 3.975 1.00 0.00 C ATOM 1138 C ALA A 74 -2.603 10.732 4.529 1.00 0.00 C ATOM 1139 O ALA A 74 -3.762 10.967 4.871 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.087 9.361 2.451 1.00 0.00 C ATOM 0 H ALA A 74 -4.181 8.730 4.365 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.245 9.098 4.386 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.336 10.092 2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.784 8.371 2.111 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.046 9.621 2.002 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.609 11.605 4.601 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.827 12.949 5.108 1.00 0.00 C ATOM 1148 C GLU A 75 -0.725 13.888 4.614 1.00 0.00 C ATOM 1149 O GLU A 75 0.459 13.614 4.802 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.908 12.953 6.636 1.00 0.00 C ATOM 1151 CG GLU A 75 -0.573 12.535 7.256 1.00 0.00 C ATOM 1152 CD GLU A 75 -0.785 11.877 8.621 1.00 0.00 C ATOM 1153 OE1 GLU A 75 -1.144 10.680 8.625 1.00 0.00 O ATOM 1154 OE2 GLU A 75 -0.583 12.587 9.630 1.00 0.00 O ATOM 0 H GLU A 75 -0.650 11.407 4.316 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.782 13.310 4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.180 13.948 6.987 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.694 12.273 6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.060 11.842 6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.071 13.408 7.365 1.00 0.00 H new ATOM 1161 N ALA A 76 -1.153 14.977 3.993 1.00 0.00 N ATOM 1162 CA ALA A 76 -0.217 15.958 3.471 1.00 0.00 C ATOM 1163 C ALA A 76 -0.506 17.320 4.106 1.00 0.00 C ATOM 1164 O ALA A 76 -1.509 17.486 4.798 1.00 0.00 O ATOM 1165 CB ALA A 76 -0.314 15.995 1.944 1.00 0.00 C ATOM 0 H ALA A 76 -2.136 15.202 3.839 1.00 0.00 H new ATOM 0 HA ALA A 76 0.807 15.685 3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.388 16.731 1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.072 15.012 1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.327 16.268 1.650 1.00 0.00 H new ATOM 1171 N ASN A 77 0.392 18.259 3.848 1.00 0.00 N ATOM 1172 CA ASN A 77 0.247 19.601 4.386 1.00 0.00 C ATOM 1173 C ASN A 77 -0.884 20.322 3.649 1.00 0.00 C ATOM 1174 O ASN A 77 -1.355 21.366 4.096 1.00 0.00 O ATOM 1175 CB ASN A 77 1.529 20.414 4.194 1.00 0.00 C ATOM 1176 CG ASN A 77 1.284 21.898 4.470 1.00 0.00 C ATOM 1177 OD1 ASN A 77 0.528 22.276 5.350 1.00 0.00 O ATOM 1178 ND2 ASN A 77 1.963 22.716 3.671 1.00 0.00 N ATOM 0 H ASN A 77 1.223 18.117 3.273 1.00 0.00 H new ATOM 0 HA ASN A 77 0.031 19.515 5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.305 20.040 4.862 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.896 20.286 3.176 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.867 23.726 3.775 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.579 22.333 2.954 1.00 0.00 H new ATOM 1185 N SER A 78 -1.287 19.735 2.531 1.00 0.00 N ATOM 1186 CA SER A 78 -2.354 20.308 1.728 1.00 0.00 C ATOM 1187 C SER A 78 -3.451 19.267 1.496 1.00 0.00 C ATOM 1188 O SER A 78 -3.160 18.097 1.251 1.00 0.00 O ATOM 1189 CB SER A 78 -1.820 20.823 0.390 1.00 0.00 C ATOM 1190 OG SER A 78 -0.554 21.463 0.531 1.00 0.00 O ATOM 0 H SER A 78 -0.894 18.869 2.163 1.00 0.00 H new ATOM 0 HA SER A 78 -2.774 21.155 2.271 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.730 19.991 -0.309 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.535 21.524 -0.040 1.00 0.00 H new ATOM 0 HG SER A 78 -0.246 21.776 -0.345 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.689 19.730 1.581 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.831 18.854 1.384 1.00 0.00 C ATOM 1198 C GLN A 79 -5.860 18.336 -0.056 1.00 0.00 C ATOM 1199 O GLN A 79 -6.624 17.427 -0.377 1.00 0.00 O ATOM 1200 CB GLN A 79 -7.138 19.568 1.736 1.00 0.00 C ATOM 1201 CG GLN A 79 -7.313 20.835 0.897 1.00 0.00 C ATOM 1202 CD GLN A 79 -7.739 22.017 1.771 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -8.047 21.876 2.943 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -7.739 23.186 1.137 1.00 0.00 N ATOM 0 H GLN A 79 -4.926 20.701 1.784 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.730 18.001 2.055 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.980 18.897 1.568 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.142 19.825 2.795 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.378 21.072 0.390 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.061 20.662 0.123 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.470 23.233 0.154 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.008 24.035 1.633 1.00 0.00 H new ATOM 1213 N GLU A 80 -5.019 18.937 -0.884 1.00 0.00 N ATOM 1214 CA GLU A 80 -4.938 18.547 -2.282 1.00 0.00 C ATOM 1215 C GLU A 80 -4.162 17.237 -2.424 1.00 0.00 C ATOM 1216 O GLU A 80 -4.687 16.253 -2.944 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.303 19.655 -3.124 1.00 0.00 C ATOM 1218 CG GLU A 80 -5.314 20.244 -4.109 1.00 0.00 C ATOM 1219 CD GLU A 80 -5.195 19.579 -5.481 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -5.646 18.418 -5.590 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -4.654 20.245 -6.390 1.00 0.00 O ATOM 0 H GLU A 80 -4.387 19.691 -0.614 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.950 18.388 -2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.926 20.442 -2.471 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.448 19.257 -3.670 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.324 20.110 -3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.150 21.317 -4.206 1.00 0.00 H new ATOM 1228 N SER A 81 -2.924 17.265 -1.951 1.00 0.00 N ATOM 1229 CA SER A 81 -2.070 16.091 -2.019 1.00 0.00 C ATOM 1230 C SER A 81 -2.616 14.994 -1.103 1.00 0.00 C ATOM 1231 O SER A 81 -2.606 13.818 -1.463 1.00 0.00 O ATOM 1232 CB SER A 81 -0.630 16.435 -1.636 1.00 0.00 C ATOM 1233 OG SER A 81 -0.312 17.795 -1.919 1.00 0.00 O ATOM 0 H SER A 81 -2.492 18.082 -1.519 1.00 0.00 H new ATOM 0 HA SER A 81 -2.067 15.729 -3.047 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.482 16.242 -0.574 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.055 15.782 -2.178 1.00 0.00 H new ATOM 0 HG SER A 81 0.615 17.975 -1.659 1.00 0.00 H new ATOM 1239 N ALA A 82 -3.078 15.417 0.065 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.626 14.485 1.035 1.00 0.00 C ATOM 1241 C ALA A 82 -4.510 13.466 0.314 1.00 0.00 C ATOM 1242 O ALA A 82 -4.345 12.260 0.491 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.388 15.259 2.113 1.00 0.00 C ATOM 0 H ALA A 82 -3.084 16.393 0.361 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.827 13.935 1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.799 14.560 2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.709 15.948 2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.200 15.822 1.652 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.430 13.988 -0.484 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.341 13.139 -1.233 1.00 0.00 C ATOM 1251 C ASP A 83 -5.586 12.488 -2.394 1.00 0.00 C ATOM 1252 O ASP A 83 -5.561 11.265 -2.515 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.498 13.952 -1.817 1.00 0.00 C ATOM 1254 CG ASP A 83 -8.894 13.456 -1.435 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -9.343 12.479 -2.073 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -9.480 14.064 -0.514 1.00 0.00 O ATOM 0 H ASP A 83 -5.564 14.989 -0.628 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.738 12.386 -0.552 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.395 14.987 -1.492 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.412 13.949 -2.904 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.989 13.336 -3.219 1.00 0.00 N ATOM 1262 CA ARG A 84 -4.236 12.860 -4.366 1.00 0.00 C ATOM 1263 C ARG A 84 -3.398 11.639 -3.981 1.00 0.00 C ATOM 1264 O ARG A 84 -3.523 10.578 -4.590 1.00 0.00 O ATOM 1265 CB ARG A 84 -3.314 13.951 -4.912 1.00 0.00 C ATOM 1266 CG ARG A 84 -3.590 14.212 -6.394 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.500 13.593 -7.272 1.00 0.00 C ATOM 1268 NE ARG A 84 -2.143 14.523 -8.366 1.00 0.00 N ATOM 1269 CZ ARG A 84 -1.577 15.724 -8.177 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -1.302 16.147 -6.936 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -1.288 16.501 -9.230 1.00 0.00 N ATOM 0 H ARG A 84 -5.012 14.350 -3.115 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.952 12.585 -5.141 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.457 14.871 -4.344 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.274 13.653 -4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.560 13.796 -6.666 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.641 15.286 -6.574 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.619 13.371 -6.670 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.849 12.647 -7.687 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.340 14.233 -9.324 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.523 15.556 -6.135 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.871 17.060 -6.792 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.499 16.179 -10.175 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.858 17.415 -9.087 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.561 11.830 -2.971 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.702 10.758 -2.498 1.00 0.00 C ATOM 1287 C LEU A 85 -2.563 9.552 -2.116 1.00 0.00 C ATOM 1288 O LEU A 85 -2.411 8.472 -2.685 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.802 11.254 -1.364 1.00 0.00 C ATOM 1290 CG LEU A 85 0.521 10.506 -1.182 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.535 10.918 -2.251 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.069 10.699 0.233 1.00 0.00 C ATOM 0 H LEU A 85 -2.460 12.711 -2.467 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.028 10.432 -3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.580 12.307 -1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.361 11.195 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 85 0.332 9.440 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.466 10.372 -2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.136 10.687 -3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.726 11.989 -2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.009 10.157 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.239 11.760 0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.349 10.317 0.957 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.448 9.777 -1.156 1.00 0.00 N ATOM 1305 CA ALA A 86 -4.332 8.722 -0.692 1.00 0.00 C ATOM 1306 C ALA A 86 -4.810 7.899 -1.891 1.00 0.00 C ATOM 1307 O ALA A 86 -4.708 6.673 -1.887 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.493 9.337 0.093 1.00 0.00 C ATOM 0 H ALA A 86 -3.572 10.674 -0.687 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.804 8.047 -0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.156 8.545 0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.102 9.886 0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.048 10.018 -0.552 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.321 8.606 -2.887 1.00 0.00 N ATOM 1315 CA TYR A 87 -5.815 7.957 -4.090 1.00 0.00 C ATOM 1316 C TYR A 87 -4.718 7.120 -4.751 1.00 0.00 C ATOM 1317 O TYR A 87 -4.752 5.891 -4.695 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.222 9.084 -5.041 1.00 0.00 C ATOM 1319 CG TYR A 87 -6.027 8.750 -6.521 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -6.860 7.840 -7.140 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -5.017 9.359 -7.238 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -6.676 7.526 -8.533 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -4.833 9.045 -8.631 1.00 0.00 C ATOM 1324 CZ TYR A 87 -5.671 8.145 -9.210 1.00 0.00 C ATOM 1325 OH TYR A 87 -5.497 7.848 -10.526 1.00 0.00 O ATOM 0 H TYR A 87 -5.404 9.623 -2.886 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.644 7.290 -3.853 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.270 9.329 -4.870 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.642 9.975 -4.801 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -7.650 7.363 -6.579 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -4.365 10.071 -6.754 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -7.321 6.816 -9.029 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.046 9.514 -9.203 1.00 0.00 H new ATOM 0 HH TYR A 87 -4.744 8.365 -10.881 1.00 0.00 H new ATOM 1335 N GLU A 88 -3.772 7.818 -5.361 1.00 0.00 N ATOM 1336 CA GLU A 88 -2.667 7.154 -6.031 1.00 0.00 C ATOM 1337 C GLU A 88 -2.183 5.961 -5.204 1.00 0.00 C ATOM 1338 O GLU A 88 -1.993 4.869 -5.736 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.523 8.133 -6.303 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.785 8.944 -7.573 1.00 0.00 C ATOM 1341 CD GLU A 88 -0.527 9.027 -8.440 1.00 0.00 C ATOM 1342 OE1 GLU A 88 0.065 7.953 -8.685 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -0.186 10.161 -8.839 1.00 0.00 O ATOM 0 H GLU A 88 -3.748 8.837 -5.405 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.021 6.784 -6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.407 8.807 -5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.587 7.584 -6.404 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.593 8.485 -8.142 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.114 9.948 -7.306 1.00 0.00 H new ATOM 1350 N VAL A 89 -1.999 6.211 -3.916 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.541 5.171 -3.010 1.00 0.00 C ATOM 1352 C VAL A 89 -2.448 3.947 -3.146 1.00 0.00 C ATOM 1353 O VAL A 89 -2.013 2.896 -3.612 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.477 5.713 -1.581 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -1.154 4.597 -0.585 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -0.465 6.856 -1.472 1.00 0.00 C ATOM 0 H VAL A 89 -2.159 7.118 -3.478 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.530 4.856 -3.269 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.460 6.112 -1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.114 5.009 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.928 3.831 -0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.189 4.155 -0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.440 7.223 -0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.524 6.494 -1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.758 7.666 -2.140 1.00 0.00 H new ATOM 1366 N SER A 90 -3.694 4.124 -2.729 1.00 0.00 N ATOM 1367 CA SER A 90 -4.666 3.047 -2.798 1.00 0.00 C ATOM 1368 C SER A 90 -4.568 2.340 -4.151 1.00 0.00 C ATOM 1369 O SER A 90 -4.416 1.120 -4.209 1.00 0.00 O ATOM 1370 CB SER A 90 -6.086 3.572 -2.576 1.00 0.00 C ATOM 1371 OG SER A 90 -6.340 4.759 -3.322 1.00 0.00 O ATOM 0 H SER A 90 -4.052 4.997 -2.342 1.00 0.00 H new ATOM 0 HA SER A 90 -4.443 2.333 -2.005 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.805 2.804 -2.861 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.237 3.772 -1.515 1.00 0.00 H new ATOM 0 HG SER A 90 -5.500 5.095 -3.698 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.660 3.135 -5.207 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.584 2.600 -6.556 1.00 0.00 C ATOM 1379 C LEU A 91 -3.280 1.815 -6.716 1.00 0.00 C ATOM 1380 O LEU A 91 -3.294 0.661 -7.139 1.00 0.00 O ATOM 1381 CB LEU A 91 -4.759 3.717 -7.586 1.00 0.00 C ATOM 1382 CG LEU A 91 -6.189 4.221 -7.792 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -6.984 3.267 -8.685 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -6.884 4.462 -6.450 1.00 0.00 C ATOM 0 H LEU A 91 -4.787 4.146 -5.156 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.401 1.902 -6.735 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.137 4.561 -7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.378 3.364 -8.544 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.142 5.180 -8.308 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.997 3.649 -8.815 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.498 3.189 -9.658 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.025 2.282 -8.220 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.899 4.820 -6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.920 3.530 -5.886 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.329 5.208 -5.882 1.00 0.00 H new ATOM 1396 N LEU A 92 -2.184 2.474 -6.368 1.00 0.00 N ATOM 1397 CA LEU A 92 -0.874 1.853 -6.467 1.00 0.00 C ATOM 1398 C LEU A 92 -0.952 0.420 -5.935 1.00 0.00 C ATOM 1399 O LEU A 92 -0.297 -0.478 -6.461 1.00 0.00 O ATOM 1400 CB LEU A 92 0.181 2.712 -5.768 1.00 0.00 C ATOM 1401 CG LEU A 92 0.716 3.901 -6.568 1.00 0.00 C ATOM 1402 CD1 LEU A 92 1.664 4.751 -5.720 1.00 0.00 C ATOM 1403 CD2 LEU A 92 1.372 3.435 -7.870 1.00 0.00 C ATOM 0 H LEU A 92 -2.177 3.432 -6.017 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.560 1.790 -7.509 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.244 3.088 -4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.022 2.072 -5.500 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.127 4.536 -6.841 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.030 5.589 -6.313 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.132 5.129 -4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.507 4.141 -5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.744 4.300 -8.420 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.202 2.767 -7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.638 2.906 -8.478 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.759 0.252 -4.898 1.00 0.00 N ATOM 1416 CA VAL A 93 -1.931 -1.056 -4.289 1.00 0.00 C ATOM 1417 C VAL A 93 -2.730 -1.954 -5.236 1.00 0.00 C ATOM 1418 O VAL A 93 -2.388 -3.120 -5.427 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.583 -0.911 -2.912 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -2.337 -2.154 -2.055 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -2.089 0.351 -2.202 1.00 0.00 C ATOM 0 H VAL A 93 -2.301 0.999 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.964 -1.532 -4.128 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.659 -0.814 -3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.811 -2.025 -1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.760 -3.028 -2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.265 -2.297 -1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.568 0.430 -1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.008 0.296 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.339 1.227 -2.801 1.00 0.00 H new ATOM 1431 N PHE A 94 -3.778 -1.377 -5.805 1.00 0.00 N ATOM 1432 CA PHE A 94 -4.627 -2.110 -6.727 1.00 0.00 C ATOM 1433 C PHE A 94 -3.834 -2.578 -7.949 1.00 0.00 C ATOM 1434 O PHE A 94 -4.109 -3.641 -8.503 1.00 0.00 O ATOM 1435 CB PHE A 94 -5.726 -1.149 -7.184 1.00 0.00 C ATOM 1436 CG PHE A 94 -6.633 -1.715 -8.279 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -7.530 -2.692 -7.982 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -6.540 -1.241 -9.551 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -8.372 -3.217 -8.998 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -7.381 -1.766 -10.567 1.00 0.00 C ATOM 1441 CZ PHE A 94 -8.279 -2.743 -10.269 1.00 0.00 C ATOM 0 H PHE A 94 -4.058 -0.409 -5.645 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.037 -2.992 -6.234 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -6.338 -0.878 -6.324 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.264 -0.231 -7.548 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.602 -3.069 -6.973 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.827 -0.466 -9.788 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -9.086 -3.992 -8.761 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -7.308 -1.390 -11.577 1.00 0.00 H new ATOM 0 HZ PHE A 94 -8.918 -3.142 -11.042 1.00 0.00 H new ATOM 1451 N GLN A 95 -2.866 -1.759 -8.335 1.00 0.00 N ATOM 1452 CA GLN A 95 -2.032 -2.075 -9.482 1.00 0.00 C ATOM 1453 C GLN A 95 -0.890 -3.005 -9.066 1.00 0.00 C ATOM 1454 O GLN A 95 -0.776 -4.120 -9.574 1.00 0.00 O ATOM 1455 CB GLN A 95 -1.492 -0.801 -10.135 1.00 0.00 C ATOM 1456 CG GLN A 95 -2.507 -0.217 -11.119 1.00 0.00 C ATOM 1457 CD GLN A 95 -1.938 -0.187 -12.539 1.00 0.00 C ATOM 1458 OE1 GLN A 95 -1.737 -1.207 -13.177 1.00 0.00 O ATOM 1459 NE2 GLN A 95 -1.691 1.038 -12.997 1.00 0.00 N ATOM 0 H GLN A 95 -2.641 -0.878 -7.874 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.644 -2.591 -10.222 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.260 -0.064 -9.366 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.560 -1.022 -10.656 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -3.420 -0.812 -11.102 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.779 0.793 -10.811 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.882 1.850 -12.410 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.310 1.165 -13.935 1.00 0.00 H new ATOM 1468 N LEU A 96 -0.072 -2.512 -8.147 1.00 0.00 N ATOM 1469 CA LEU A 96 1.057 -3.285 -7.658 1.00 0.00 C ATOM 1470 C LEU A 96 0.541 -4.512 -6.904 1.00 0.00 C ATOM 1471 O LEU A 96 0.376 -5.581 -7.489 1.00 0.00 O ATOM 1472 CB LEU A 96 1.992 -2.402 -6.830 1.00 0.00 C ATOM 1473 CG LEU A 96 2.844 -1.404 -7.616 1.00 0.00 C ATOM 1474 CD1 LEU A 96 3.625 -2.107 -8.729 1.00 0.00 C ATOM 1475 CD2 LEU A 96 1.987 -0.256 -8.155 1.00 0.00 C ATOM 0 H LEU A 96 -0.169 -1.587 -7.728 1.00 0.00 H new ATOM 0 HA LEU A 96 1.657 -3.652 -8.491 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.391 -1.848 -6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.659 -3.048 -6.260 1.00 0.00 H new ATOM 0 HG LEU A 96 3.575 -0.968 -6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.222 -1.375 -9.272 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.282 -2.860 -8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.928 -2.588 -9.415 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.617 0.439 -8.710 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.218 -0.655 -8.816 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.515 0.267 -7.323 1.00 0.00 H new ATOM 1487 N ALA A 97 0.300 -4.317 -5.616 1.00 0.00 N ATOM 1488 CA ALA A 97 -0.194 -5.394 -4.775 1.00 0.00 C ATOM 1489 C ALA A 97 -1.223 -6.214 -5.556 1.00 0.00 C ATOM 1490 O ALA A 97 -1.119 -7.438 -5.631 1.00 0.00 O ATOM 1491 CB ALA A 97 -0.771 -4.811 -3.484 1.00 0.00 C ATOM 0 H ALA A 97 0.438 -3.429 -5.134 1.00 0.00 H new ATOM 0 HA ALA A 97 0.618 -6.065 -4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.141 -5.619 -2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.007 -4.264 -2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.591 -4.134 -3.725 1.00 0.00 H new ATOM 1497 N GLY A 98 -2.192 -5.507 -6.118 1.00 0.00 N ATOM 1498 CA GLY A 98 -3.239 -6.154 -6.890 1.00 0.00 C ATOM 1499 C GLY A 98 -4.553 -6.194 -6.107 1.00 0.00 C ATOM 1500 O GLY A 98 -4.724 -7.024 -5.216 1.00 0.00 O ATOM 0 H GLY A 98 -2.274 -4.492 -6.054 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.387 -5.619 -7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.933 -7.168 -7.146 1.00 0.00 H new ATOM 1504 N GLY A 99 -5.448 -5.286 -6.470 1.00 0.00 N ATOM 1505 CA GLY A 99 -6.741 -5.207 -5.812 1.00 0.00 C ATOM 1506 C GLY A 99 -7.872 -5.547 -6.785 1.00 0.00 C ATOM 1507 O GLY A 99 -7.648 -5.656 -7.990 1.00 0.00 O ATOM 0 H GLY A 99 -5.303 -4.600 -7.211 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.765 -5.894 -4.966 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.889 -4.204 -5.412 1.00 0.00 H new ATOM 1511 N ILE A 100 -9.063 -5.704 -6.226 1.00 0.00 N ATOM 1512 CA ILE A 100 -10.230 -6.029 -7.029 1.00 0.00 C ATOM 1513 C ILE A 100 -11.137 -4.801 -7.125 1.00 0.00 C ATOM 1514 O ILE A 100 -11.475 -4.194 -6.109 1.00 0.00 O ATOM 1515 CB ILE A 100 -10.932 -7.271 -6.476 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -11.353 -7.059 -5.020 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -10.060 -8.516 -6.645 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -12.497 -8.000 -4.637 1.00 0.00 C ATOM 0 H ILE A 100 -9.245 -5.612 -5.227 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.933 -6.285 -8.046 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.841 -7.435 -7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -10.501 -7.231 -4.363 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -11.664 -6.025 -4.875 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -10.583 -9.384 -6.244 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -9.853 -8.674 -7.703 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.121 -8.378 -6.109 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.777 -7.829 -3.598 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.356 -7.809 -5.280 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -12.174 -9.034 -4.760 1.00 0.00 H new