USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=7 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 Single : A 15 ASN : amide:sc= -3.02! C(o=-3!,f=-4.1!) USER MOD Single : A 17 GLN : amide:sc= -3.33! C(o=-3.3!,f=-10!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.2) USER MOD Single : A 48 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.2!) 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 150: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= -0.431 K(o=-0.43,f=-1.2) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 81 SER OG : rot 59:sc= 0.321 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 59:sc= 0.171 USER MOD Single : A 95 GLN : amide:sc= -0.4 K(o=-0.4,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 144 N LEU A 13 -4.209 18.359 11.150 1.00 0.00 N ATOM 145 CA LEU A 13 -3.682 18.091 9.823 1.00 0.00 C ATOM 146 C LEU A 13 -4.704 17.276 9.028 1.00 0.00 C ATOM 147 O LEU A 13 -5.561 16.612 9.609 1.00 0.00 O ATOM 148 CB LEU A 13 -2.306 17.428 9.917 1.00 0.00 C ATOM 149 CG LEU A 13 -1.108 18.377 9.994 1.00 0.00 C ATOM 150 CD1 LEU A 13 0.126 17.659 10.543 1.00 0.00 C ATOM 151 CD2 LEU A 13 -0.836 19.026 8.635 1.00 0.00 C ATOM 0 HA LEU A 13 -3.525 19.023 9.280 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.293 16.786 10.798 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.176 16.781 9.050 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.351 19.178 10.692 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.963 18.356 10.587 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.087 17.283 11.544 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.383 16.825 9.890 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.020 19.696 8.716 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.622 18.252 7.898 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.712 19.593 8.321 1.00 0.00 H new ATOM 163 N PRO A 14 -4.576 17.356 7.676 1.00 0.00 N ATOM 164 CA PRO A 14 -5.478 16.634 6.795 1.00 0.00 C ATOM 165 C PRO A 14 -5.145 15.141 6.773 1.00 0.00 C ATOM 166 O PRO A 14 -4.019 14.749 7.074 1.00 0.00 O ATOM 167 CB PRO A 14 -5.318 17.299 5.438 1.00 0.00 C ATOM 168 CG PRO A 14 -4.002 18.056 5.497 1.00 0.00 C ATOM 169 CD PRO A 14 -3.573 18.133 6.954 1.00 0.00 C ATOM 0 HA PRO A 14 -6.516 16.680 7.126 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.307 16.558 4.639 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.148 17.975 5.234 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.243 17.549 4.902 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.118 19.056 5.080 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.574 17.720 7.095 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.543 19.165 7.304 1.00 0.00 H new ATOM 177 N ASN A 15 -6.145 14.350 6.414 1.00 0.00 N ATOM 178 CA ASN A 15 -5.972 12.908 6.348 1.00 0.00 C ATOM 179 C ASN A 15 -7.065 12.307 5.463 1.00 0.00 C ATOM 180 O ASN A 15 -8.176 12.833 5.399 1.00 0.00 O ATOM 181 CB ASN A 15 -6.086 12.276 7.737 1.00 0.00 C ATOM 182 CG ASN A 15 -5.616 13.247 8.822 1.00 0.00 C ATOM 183 OD1 ASN A 15 -4.433 13.415 9.071 1.00 0.00 O ATOM 184 ND2 ASN A 15 -6.605 13.875 9.451 1.00 0.00 N ATOM 0 H ASN A 15 -7.078 14.680 6.166 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.982 12.705 5.940 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -7.120 11.988 7.925 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.489 11.365 7.776 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.395 14.544 10.192 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.574 13.688 9.193 1.00 0.00 H new ATOM 191 N ARG A 16 -6.714 11.214 4.803 1.00 0.00 N ATOM 192 CA ARG A 16 -7.652 10.536 3.924 1.00 0.00 C ATOM 193 C ARG A 16 -7.374 9.031 3.911 1.00 0.00 C ATOM 194 O ARG A 16 -6.227 8.610 3.766 1.00 0.00 O ATOM 195 CB ARG A 16 -7.559 11.077 2.497 1.00 0.00 C ATOM 196 CG ARG A 16 -8.657 10.482 1.612 1.00 0.00 C ATOM 197 CD ARG A 16 -10.023 11.075 1.960 1.00 0.00 C ATOM 198 NE ARG A 16 -10.279 12.276 1.134 1.00 0.00 N ATOM 199 CZ ARG A 16 -11.464 12.896 1.056 1.00 0.00 C ATOM 200 NH1 ARG A 16 -12.510 12.433 1.755 1.00 0.00 N ATOM 201 NH2 ARG A 16 -11.604 13.980 0.280 1.00 0.00 N ATOM 0 H ARG A 16 -5.792 10.780 4.859 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.656 10.720 4.305 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.646 12.163 2.510 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.581 10.841 2.078 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.429 10.676 0.564 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.684 9.400 1.738 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.804 10.334 1.791 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.056 11.337 3.018 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.504 12.656 0.590 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.404 11.609 2.346 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.412 12.905 1.696 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.808 14.333 -0.251 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.506 14.452 0.221 1.00 0.00 H new ATOM 215 N GLN A 17 -8.442 8.263 4.064 1.00 0.00 N ATOM 216 CA GLN A 17 -8.327 6.815 4.072 1.00 0.00 C ATOM 217 C GLN A 17 -9.322 6.198 3.086 1.00 0.00 C ATOM 218 O GLN A 17 -10.428 6.709 2.914 1.00 0.00 O ATOM 219 CB GLN A 17 -8.534 6.255 5.481 1.00 0.00 C ATOM 220 CG GLN A 17 -8.963 4.788 5.431 1.00 0.00 C ATOM 221 CD GLN A 17 -10.486 4.664 5.351 1.00 0.00 C ATOM 222 OE1 GLN A 17 -11.085 4.727 4.290 1.00 0.00 O ATOM 223 NE2 GLN A 17 -11.077 4.487 6.530 1.00 0.00 N ATOM 0 H GLN A 17 -9.391 8.616 4.183 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.318 6.549 3.756 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.610 6.348 6.052 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.291 6.841 6.001 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.509 4.302 4.567 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.598 4.268 6.317 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.516 4.443 7.380 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -12.091 4.395 6.583 1.00 0.00 H new ATOM 232 N LEU A 18 -8.893 5.110 2.464 1.00 0.00 N ATOM 233 CA LEU A 18 -9.733 4.419 1.500 1.00 0.00 C ATOM 234 C LEU A 18 -9.659 2.912 1.755 1.00 0.00 C ATOM 235 O LEU A 18 -8.818 2.449 2.524 1.00 0.00 O ATOM 236 CB LEU A 18 -9.353 4.821 0.074 1.00 0.00 C ATOM 237 CG LEU A 18 -9.001 6.295 -0.136 1.00 0.00 C ATOM 238 CD1 LEU A 18 -7.801 6.444 -1.074 1.00 0.00 C ATOM 239 CD2 LEU A 18 -10.216 7.084 -0.630 1.00 0.00 C ATOM 0 H LEU A 18 -7.975 4.690 2.609 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.776 4.713 1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.501 4.217 -0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.182 4.568 -0.587 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.712 6.718 0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.572 7.501 -1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.938 5.937 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.038 6.000 -2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.939 8.129 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.559 6.668 -1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.017 7.018 0.106 1.00 0.00 H new ATOM 251 N LYS A 19 -10.551 2.188 1.094 1.00 0.00 N ATOM 252 CA LYS A 19 -10.598 0.743 1.238 1.00 0.00 C ATOM 253 C LYS A 19 -10.218 0.089 -0.092 1.00 0.00 C ATOM 254 O LYS A 19 -10.866 0.324 -1.110 1.00 0.00 O ATOM 255 CB LYS A 19 -11.962 0.302 1.773 1.00 0.00 C ATOM 256 CG LYS A 19 -12.898 -0.093 0.629 1.00 0.00 C ATOM 257 CD LYS A 19 -14.263 -0.531 1.163 1.00 0.00 C ATOM 258 CE LYS A 19 -15.111 -1.155 0.053 1.00 0.00 C ATOM 259 NZ LYS A 19 -16.551 -1.055 0.383 1.00 0.00 N ATOM 0 H LYS A 19 -11.247 2.576 0.457 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.869 0.410 1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.835 -0.542 2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.409 1.111 2.351 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.023 0.750 -0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.452 -0.904 0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.128 -1.251 1.970 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.785 0.328 1.585 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.912 -0.650 -0.892 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.834 -2.201 -0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.113 -1.483 -0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.739 -1.557 1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.815 -0.054 0.487 1.00 0.00 H new ATOM 273 N VAL A 20 -9.169 -0.718 -0.039 1.00 0.00 N ATOM 274 CA VAL A 20 -8.695 -1.408 -1.227 1.00 0.00 C ATOM 275 C VAL A 20 -9.451 -2.729 -1.380 1.00 0.00 C ATOM 276 O VAL A 20 -9.026 -3.756 -0.852 1.00 0.00 O ATOM 277 CB VAL A 20 -7.178 -1.592 -1.155 1.00 0.00 C ATOM 278 CG1 VAL A 20 -6.690 -2.556 -2.238 1.00 0.00 C ATOM 279 CG2 VAL A 20 -6.457 -0.246 -1.254 1.00 0.00 C ATOM 0 H VAL A 20 -8.634 -0.910 0.808 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.895 -0.814 -2.119 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.940 -2.029 -0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.608 -2.669 -2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.166 -3.527 -2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.947 -2.160 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.380 -0.405 -1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.706 0.231 -2.202 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.770 0.396 -0.431 1.00 0.00 H new ATOM 289 N LYS A 21 -10.558 -2.661 -2.105 1.00 0.00 N ATOM 290 CA LYS A 21 -11.377 -3.839 -2.334 1.00 0.00 C ATOM 291 C LYS A 21 -10.510 -4.948 -2.935 1.00 0.00 C ATOM 292 O LYS A 21 -10.099 -4.861 -4.091 1.00 0.00 O ATOM 293 CB LYS A 21 -12.599 -3.485 -3.183 1.00 0.00 C ATOM 294 CG LYS A 21 -12.247 -3.474 -4.673 1.00 0.00 C ATOM 295 CD LYS A 21 -13.355 -2.809 -5.493 1.00 0.00 C ATOM 296 CE LYS A 21 -13.389 -1.300 -5.245 1.00 0.00 C ATOM 297 NZ LYS A 21 -12.734 -0.577 -6.358 1.00 0.00 N ATOM 0 H LYS A 21 -10.907 -1.808 -2.542 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.772 -4.218 -1.391 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.395 -4.206 -2.999 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.980 -2.507 -2.888 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.308 -2.942 -4.825 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.094 -4.495 -5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.194 -3.003 -6.553 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.319 -3.246 -5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.421 -0.965 -5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.885 -1.068 -4.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.766 0.446 -6.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.743 -0.884 -6.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.232 -0.784 -7.247 1.00 0.00 H new ATOM 311 N VAL A 22 -10.258 -5.964 -2.123 1.00 0.00 N ATOM 312 CA VAL A 22 -9.449 -7.088 -2.560 1.00 0.00 C ATOM 313 C VAL A 22 -10.301 -8.358 -2.553 1.00 0.00 C ATOM 314 O VAL A 22 -11.528 -8.286 -2.502 1.00 0.00 O ATOM 315 CB VAL A 22 -8.198 -7.203 -1.686 1.00 0.00 C ATOM 316 CG1 VAL A 22 -7.462 -5.864 -1.604 1.00 0.00 C ATOM 317 CG2 VAL A 22 -8.549 -7.722 -0.291 1.00 0.00 C ATOM 0 H VAL A 22 -10.600 -6.032 -1.165 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.103 -6.935 -3.582 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.529 -7.926 -2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.577 -5.973 -0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.162 -5.552 -2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.122 -5.112 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.642 -7.794 0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.247 -7.035 0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.008 -8.707 -0.374 1.00 0.00 H new ATOM 643 N GLN A 44 7.408 0.353 -1.089 1.00 0.00 N ATOM 644 CA GLN A 44 7.851 1.259 -0.043 1.00 0.00 C ATOM 645 C GLN A 44 8.717 2.372 -0.637 1.00 0.00 C ATOM 646 O GLN A 44 8.735 3.490 -0.124 1.00 0.00 O ATOM 647 CB GLN A 44 8.605 0.504 1.053 1.00 0.00 C ATOM 648 CG GLN A 44 9.827 -0.217 0.482 1.00 0.00 C ATOM 649 CD GLN A 44 11.029 -0.088 1.420 1.00 0.00 C ATOM 650 OE1 GLN A 44 10.901 0.203 2.598 1.00 0.00 O ATOM 651 NE2 GLN A 44 12.200 -0.319 0.834 1.00 0.00 N ATOM 0 HA GLN A 44 6.972 1.714 0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.920 1.202 1.829 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.940 -0.219 1.525 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.593 -1.270 0.328 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.076 0.200 -0.494 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.236 -0.558 -0.157 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.062 -0.257 1.375 1.00 0.00 H new ATOM 660 N GLU A 45 9.414 2.027 -1.710 1.00 0.00 N ATOM 661 CA GLU A 45 10.280 2.983 -2.379 1.00 0.00 C ATOM 662 C GLU A 45 9.444 4.008 -3.149 1.00 0.00 C ATOM 663 O GLU A 45 9.662 5.212 -3.025 1.00 0.00 O ATOM 664 CB GLU A 45 11.268 2.273 -3.306 1.00 0.00 C ATOM 665 CG GLU A 45 12.685 2.311 -2.731 1.00 0.00 C ATOM 666 CD GLU A 45 13.524 3.393 -3.412 1.00 0.00 C ATOM 667 OE1 GLU A 45 13.451 3.468 -4.658 1.00 0.00 O ATOM 668 OE2 GLU A 45 14.221 4.121 -2.672 1.00 0.00 O ATOM 0 H GLU A 45 9.397 1.099 -2.133 1.00 0.00 H new ATOM 0 HA GLU A 45 10.859 3.511 -1.622 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.958 1.238 -3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.257 2.748 -4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.641 2.501 -1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.161 1.339 -2.863 1.00 0.00 H new ATOM 675 N ALA A 46 8.504 3.492 -3.928 1.00 0.00 N ATOM 676 CA ALA A 46 7.635 4.347 -4.718 1.00 0.00 C ATOM 677 C ALA A 46 7.013 5.411 -3.812 1.00 0.00 C ATOM 678 O ALA A 46 7.301 6.598 -3.954 1.00 0.00 O ATOM 679 CB ALA A 46 6.580 3.491 -5.422 1.00 0.00 C ATOM 0 H ALA A 46 8.326 2.493 -4.029 1.00 0.00 H new ATOM 0 HA ALA A 46 8.204 4.864 -5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.928 4.132 -6.015 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.073 2.771 -6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.987 2.959 -4.678 1.00 0.00 H new ATOM 685 N ILE A 47 6.170 4.947 -2.901 1.00 0.00 N ATOM 686 CA ILE A 47 5.504 5.844 -1.972 1.00 0.00 C ATOM 687 C ILE A 47 6.552 6.699 -1.256 1.00 0.00 C ATOM 688 O ILE A 47 6.347 7.894 -1.048 1.00 0.00 O ATOM 689 CB ILE A 47 4.599 5.057 -1.022 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.542 4.269 -1.799 1.00 0.00 C ATOM 691 CG2 ILE A 47 3.971 5.977 0.026 1.00 0.00 C ATOM 692 CD1 ILE A 47 3.266 2.919 -1.135 1.00 0.00 C ATOM 0 H ILE A 47 5.933 3.962 -2.787 1.00 0.00 H new ATOM 0 HA ILE A 47 4.846 6.528 -2.508 1.00 0.00 H new ATOM 0 HB ILE A 47 5.214 4.333 -0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.619 4.847 -1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.880 4.112 -2.823 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.333 5.392 0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.758 6.455 0.609 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.374 6.741 -0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.511 2.380 -1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.185 2.334 -1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.905 3.080 -0.119 1.00 0.00 H new ATOM 704 N ASN A 48 7.651 6.053 -0.897 1.00 0.00 N ATOM 705 CA ASN A 48 8.731 6.739 -0.208 1.00 0.00 C ATOM 706 C ASN A 48 9.232 7.894 -1.077 1.00 0.00 C ATOM 707 O ASN A 48 9.692 8.911 -0.559 1.00 0.00 O ATOM 708 CB ASN A 48 9.908 5.795 0.047 1.00 0.00 C ATOM 709 CG ASN A 48 11.201 6.581 0.277 1.00 0.00 C ATOM 710 OD1 ASN A 48 11.216 7.637 0.889 1.00 0.00 O ATOM 711 ND2 ASN A 48 12.282 6.009 -0.245 1.00 0.00 N ATOM 0 H ASN A 48 7.817 5.062 -1.070 1.00 0.00 H new ATOM 0 HA ASN A 48 8.346 7.102 0.745 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.697 5.172 0.916 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.032 5.125 -0.803 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.194 6.455 -0.145 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.199 5.124 -0.746 1.00 0.00 H new ATOM 718 N ASP A 49 9.124 7.700 -2.383 1.00 0.00 N ATOM 719 CA ASP A 49 9.560 8.714 -3.329 1.00 0.00 C ATOM 720 C ASP A 49 8.472 9.781 -3.463 1.00 0.00 C ATOM 721 O ASP A 49 8.764 10.976 -3.443 1.00 0.00 O ATOM 722 CB ASP A 49 9.802 8.109 -4.713 1.00 0.00 C ATOM 723 CG ASP A 49 10.870 8.815 -5.550 1.00 0.00 C ATOM 724 OD1 ASP A 49 10.959 10.056 -5.427 1.00 0.00 O ATOM 725 OD2 ASP A 49 11.574 8.098 -6.293 1.00 0.00 O ATOM 0 H ASP A 49 8.741 6.856 -2.809 1.00 0.00 H new ATOM 0 HA ASP A 49 10.489 9.145 -2.957 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.089 7.065 -4.591 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.863 8.119 -5.266 1.00 0.00 H new ATOM 730 N LEU A 50 7.240 9.312 -3.597 1.00 0.00 N ATOM 731 CA LEU A 50 6.107 10.211 -3.735 1.00 0.00 C ATOM 732 C LEU A 50 5.953 11.030 -2.452 1.00 0.00 C ATOM 733 O LEU A 50 5.513 12.178 -2.494 1.00 0.00 O ATOM 734 CB LEU A 50 4.849 9.432 -4.122 1.00 0.00 C ATOM 735 CG LEU A 50 4.569 9.310 -5.621 1.00 0.00 C ATOM 736 CD1 LEU A 50 3.838 8.004 -5.939 1.00 0.00 C ATOM 737 CD2 LEU A 50 3.809 10.533 -6.138 1.00 0.00 C ATOM 0 H LEU A 50 7.002 8.320 -3.613 1.00 0.00 H new ATOM 0 HA LEU A 50 6.278 10.918 -4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.925 8.428 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.990 9.910 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 50 5.524 9.279 -6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.652 7.943 -7.011 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.452 7.159 -5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.889 7.979 -5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.623 10.421 -7.206 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.859 10.620 -5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.403 11.430 -5.966 1.00 0.00 H new ATOM 749 N VAL A 51 6.325 10.409 -1.343 1.00 0.00 N ATOM 750 CA VAL A 51 6.234 11.066 -0.050 1.00 0.00 C ATOM 751 C VAL A 51 7.303 12.157 0.039 1.00 0.00 C ATOM 752 O VAL A 51 7.148 13.123 0.784 1.00 0.00 O ATOM 753 CB VAL A 51 6.340 10.032 1.072 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.431 10.713 2.439 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.168 9.050 1.026 1.00 0.00 C ATOM 0 H VAL A 51 6.690 9.457 -1.313 1.00 0.00 H new ATOM 0 HA VAL A 51 5.264 11.551 0.064 1.00 0.00 H new ATOM 0 HB VAL A 51 7.258 9.465 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.505 9.955 3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.313 11.352 2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.539 11.317 2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.268 8.326 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.231 9.596 1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.168 8.528 0.069 1.00 0.00 H new ATOM 765 N LYS A 52 8.364 11.966 -0.731 1.00 0.00 N ATOM 766 CA LYS A 52 9.458 12.921 -0.749 1.00 0.00 C ATOM 767 C LYS A 52 9.224 13.938 -1.867 1.00 0.00 C ATOM 768 O LYS A 52 9.591 15.105 -1.737 1.00 0.00 O ATOM 769 CB LYS A 52 10.801 12.196 -0.849 1.00 0.00 C ATOM 770 CG LYS A 52 11.191 11.576 0.495 1.00 0.00 C ATOM 771 CD LYS A 52 12.342 12.349 1.142 1.00 0.00 C ATOM 772 CE LYS A 52 13.688 11.927 0.549 1.00 0.00 C ATOM 773 NZ LYS A 52 14.362 10.953 1.436 1.00 0.00 N ATOM 0 H LYS A 52 8.489 11.163 -1.347 1.00 0.00 H new ATOM 0 HA LYS A 52 9.492 13.478 0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.742 11.417 -1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.573 12.896 -1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.329 11.574 1.162 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.483 10.536 0.349 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.195 13.419 0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.343 12.173 2.218 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.536 11.486 -0.436 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.322 12.803 0.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.274 10.677 1.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.524 11.386 2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.762 10.110 1.546 1.00 0.00 H new ATOM 787 N LYS A 53 8.614 13.459 -2.941 1.00 0.00 N ATOM 788 CA LYS A 53 8.326 14.312 -4.082 1.00 0.00 C ATOM 789 C LYS A 53 7.279 15.353 -3.683 1.00 0.00 C ATOM 790 O LYS A 53 7.243 16.448 -4.242 1.00 0.00 O ATOM 791 CB LYS A 53 7.924 13.468 -5.294 1.00 0.00 C ATOM 792 CG LYS A 53 9.154 12.861 -5.971 1.00 0.00 C ATOM 793 CD LYS A 53 9.136 13.124 -7.478 1.00 0.00 C ATOM 794 CE LYS A 53 7.835 12.620 -8.107 1.00 0.00 C ATOM 795 NZ LYS A 53 7.486 13.431 -9.295 1.00 0.00 N ATOM 0 H LYS A 53 8.311 12.491 -3.045 1.00 0.00 H new ATOM 0 HA LYS A 53 9.219 14.858 -4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.248 12.673 -4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.379 14.086 -6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.059 13.284 -5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.183 11.787 -5.786 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.245 14.192 -7.666 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.986 12.630 -7.947 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.944 11.574 -8.393 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.028 12.669 -7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.601 13.076 -9.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.362 14.424 -9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.249 13.363 -9.998 1.00 0.00 H new ATOM 809 N TYR A 54 6.452 14.976 -2.719 1.00 0.00 N ATOM 810 CA TYR A 54 5.407 15.863 -2.239 1.00 0.00 C ATOM 811 C TYR A 54 5.901 16.705 -1.061 1.00 0.00 C ATOM 812 O TYR A 54 7.014 16.509 -0.577 1.00 0.00 O ATOM 813 CB TYR A 54 4.270 14.958 -1.762 1.00 0.00 C ATOM 814 CG TYR A 54 3.360 14.457 -2.885 1.00 0.00 C ATOM 815 CD1 TYR A 54 3.907 14.026 -4.077 1.00 0.00 C ATOM 816 CD2 TYR A 54 1.991 14.435 -2.707 1.00 0.00 C ATOM 817 CE1 TYR A 54 3.051 13.555 -5.134 1.00 0.00 C ATOM 818 CE2 TYR A 54 1.135 13.964 -3.764 1.00 0.00 C ATOM 819 CZ TYR A 54 1.707 13.547 -4.925 1.00 0.00 C ATOM 820 OH TYR A 54 0.898 13.102 -5.924 1.00 0.00 O ATOM 0 H TYR A 54 6.485 14.067 -2.257 1.00 0.00 H new ATOM 0 HA TYR A 54 5.093 16.547 -3.027 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.696 14.099 -1.243 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.667 15.502 -1.035 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.978 14.042 -4.217 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.562 14.771 -1.774 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.466 13.216 -6.071 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.063 13.942 -3.638 1.00 0.00 H new ATOM 0 HH TYR A 54 0.091 12.702 -5.538 1.00 0.00 H new ATOM 830 N THR A 55 5.049 17.626 -0.634 1.00 0.00 N ATOM 831 CA THR A 55 5.385 18.498 0.478 1.00 0.00 C ATOM 832 C THR A 55 4.819 17.939 1.785 1.00 0.00 C ATOM 833 O THR A 55 3.604 17.825 1.941 1.00 0.00 O ATOM 834 CB THR A 55 4.875 19.903 0.148 1.00 0.00 C ATOM 835 OG1 THR A 55 5.888 20.450 -0.693 1.00 0.00 O ATOM 836 CG2 THR A 55 4.866 20.824 1.369 1.00 0.00 C ATOM 0 H THR A 55 4.127 17.787 -1.039 1.00 0.00 H new ATOM 0 HA THR A 55 6.464 18.553 0.625 1.00 0.00 H new ATOM 0 HB THR A 55 3.868 19.837 -0.264 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.638 21.360 -0.956 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.496 21.808 1.080 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.217 20.403 2.137 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.879 20.918 1.761 1.00 0.00 H new ATOM 844 N LEU A 56 5.727 17.604 2.690 1.00 0.00 N ATOM 845 CA LEU A 56 5.334 17.059 3.978 1.00 0.00 C ATOM 846 C LEU A 56 4.176 16.079 3.780 1.00 0.00 C ATOM 847 O LEU A 56 3.070 16.313 4.265 1.00 0.00 O ATOM 848 CB LEU A 56 5.023 18.187 4.965 1.00 0.00 C ATOM 849 CG LEU A 56 6.230 18.956 5.506 1.00 0.00 C ATOM 850 CD1 LEU A 56 7.361 18.001 5.891 1.00 0.00 C ATOM 851 CD2 LEU A 56 6.693 20.021 4.510 1.00 0.00 C ATOM 0 H LEU A 56 6.734 17.700 2.557 1.00 0.00 H new ATOM 0 HA LEU A 56 6.156 16.497 4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.354 18.896 4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.478 17.764 5.809 1.00 0.00 H new ATOM 0 HG LEU A 56 5.925 19.476 6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.207 18.573 6.272 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.011 17.314 6.661 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.673 17.434 5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.552 20.553 4.919 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.975 19.543 3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.882 20.727 4.329 1.00 0.00 H new ATOM 863 N ALA A 57 4.470 15.001 3.068 1.00 0.00 N ATOM 864 CA ALA A 57 3.468 13.984 2.800 1.00 0.00 C ATOM 865 C ALA A 57 3.769 12.743 3.642 1.00 0.00 C ATOM 866 O ALA A 57 4.845 12.633 4.229 1.00 0.00 O ATOM 867 CB ALA A 57 3.438 13.679 1.301 1.00 0.00 C ATOM 0 H ALA A 57 5.389 14.810 2.668 1.00 0.00 H new ATOM 0 HA ALA A 57 2.476 14.339 3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.686 12.916 1.100 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.190 14.586 0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.416 13.317 0.984 1.00 0.00 H new ATOM 873 N ARG A 58 2.800 11.840 3.675 1.00 0.00 N ATOM 874 CA ARG A 58 2.948 10.611 4.436 1.00 0.00 C ATOM 875 C ARG A 58 1.863 9.608 4.040 1.00 0.00 C ATOM 876 O ARG A 58 0.676 9.930 4.064 1.00 0.00 O ATOM 877 CB ARG A 58 2.861 10.880 5.939 1.00 0.00 C ATOM 878 CG ARG A 58 4.210 10.638 6.619 1.00 0.00 C ATOM 879 CD ARG A 58 4.183 11.108 8.074 1.00 0.00 C ATOM 880 NE ARG A 58 4.580 12.532 8.154 1.00 0.00 N ATOM 881 CZ ARG A 58 4.621 13.237 9.292 1.00 0.00 C ATOM 882 NH1 ARG A 58 4.290 12.656 10.453 1.00 0.00 N ATOM 883 NH2 ARG A 58 4.994 14.525 9.270 1.00 0.00 N ATOM 0 H ARG A 58 1.909 11.935 3.187 1.00 0.00 H new ATOM 0 HA ARG A 58 3.930 10.197 4.209 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.543 11.908 6.110 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.104 10.234 6.384 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.455 9.577 6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.994 11.166 6.077 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.183 10.977 8.489 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.859 10.499 8.674 1.00 0.00 H new ATOM 0 HE ARG A 58 4.838 13.006 7.288 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.007 11.676 10.470 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.321 13.193 11.319 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.246 14.968 8.387 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.025 15.062 10.137 1.00 0.00 H new ATOM 897 N ALA A 59 2.309 8.412 3.684 1.00 0.00 N ATOM 898 CA ALA A 59 1.390 7.359 3.284 1.00 0.00 C ATOM 899 C ALA A 59 1.732 6.075 4.041 1.00 0.00 C ATOM 900 O ALA A 59 2.886 5.853 4.406 1.00 0.00 O ATOM 901 CB ALA A 59 1.454 7.176 1.766 1.00 0.00 C ATOM 0 H ALA A 59 3.294 8.149 3.664 1.00 0.00 H new ATOM 0 HA ALA A 59 0.364 7.627 3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.765 6.387 1.465 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.174 8.108 1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.468 6.903 1.475 1.00 0.00 H new ATOM 907 N PHE A 60 0.708 5.261 4.255 1.00 0.00 N ATOM 908 CA PHE A 60 0.886 4.004 4.962 1.00 0.00 C ATOM 909 C PHE A 60 -0.179 2.987 4.547 1.00 0.00 C ATOM 910 O PHE A 60 -1.081 3.307 3.774 1.00 0.00 O ATOM 911 CB PHE A 60 0.734 4.305 6.454 1.00 0.00 C ATOM 912 CG PHE A 60 1.951 4.991 7.078 1.00 0.00 C ATOM 913 CD1 PHE A 60 3.197 4.486 6.870 1.00 0.00 C ATOM 914 CD2 PHE A 60 1.788 6.105 7.840 1.00 0.00 C ATOM 915 CE1 PHE A 60 4.326 5.122 7.449 1.00 0.00 C ATOM 916 CE2 PHE A 60 2.917 6.741 8.419 1.00 0.00 C ATOM 917 CZ PHE A 60 4.163 6.237 8.211 1.00 0.00 C ATOM 0 H PHE A 60 -0.248 5.448 3.951 1.00 0.00 H new ATOM 0 HA PHE A 60 1.864 3.581 4.730 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.141 4.938 6.599 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.544 3.372 6.985 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.327 3.601 6.264 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.799 6.506 8.005 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.315 4.721 7.285 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.787 7.625 9.025 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.022 6.722 8.650 1.00 0.00 H new ATOM 927 N VAL A 61 -0.040 1.782 5.080 1.00 0.00 N ATOM 928 CA VAL A 61 -0.979 0.716 4.776 1.00 0.00 C ATOM 929 C VAL A 61 -1.020 -0.271 5.945 1.00 0.00 C ATOM 930 O VAL A 61 -0.003 -0.517 6.590 1.00 0.00 O ATOM 931 CB VAL A 61 -0.606 0.054 3.448 1.00 0.00 C ATOM 932 CG1 VAL A 61 -1.020 0.930 2.264 1.00 0.00 C ATOM 933 CG2 VAL A 61 0.888 -0.269 3.396 1.00 0.00 C ATOM 0 H VAL A 61 0.709 1.520 5.721 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.985 1.117 4.654 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.153 -0.886 3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.744 0.437 1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.099 1.086 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.513 1.893 2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.126 -0.739 2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.463 0.651 3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.142 -0.950 4.209 1.00 0.00 H new ATOM 1059 N VAL A 70 -8.102 -4.105 2.627 1.00 0.00 N ATOM 1060 CA VAL A 70 -6.974 -3.528 3.338 1.00 0.00 C ATOM 1061 C VAL A 70 -7.275 -2.063 3.660 1.00 0.00 C ATOM 1062 O VAL A 70 -8.048 -1.415 2.956 1.00 0.00 O ATOM 1063 CB VAL A 70 -5.692 -3.710 2.522 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -4.548 -2.879 3.106 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -5.305 -5.187 2.430 1.00 0.00 C ATOM 0 HA VAL A 70 -6.816 -4.043 4.285 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.885 -3.351 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.649 -3.026 2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.822 -1.824 3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.357 -3.194 4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.391 -5.288 1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.140 -5.583 3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.108 -5.744 1.947 1.00 0.00 H new ATOM 1075 N ARG A 71 -6.648 -1.583 4.724 1.00 0.00 N ATOM 1076 CA ARG A 71 -6.839 -0.207 5.148 1.00 0.00 C ATOM 1077 C ARG A 71 -5.726 0.681 4.588 1.00 0.00 C ATOM 1078 O ARG A 71 -4.547 0.350 4.702 1.00 0.00 O ATOM 1079 CB ARG A 71 -6.850 -0.097 6.675 1.00 0.00 C ATOM 1080 CG ARG A 71 -8.247 0.255 7.189 1.00 0.00 C ATOM 1081 CD ARG A 71 -8.548 -0.474 8.500 1.00 0.00 C ATOM 1082 NE ARG A 71 -9.716 0.144 9.166 1.00 0.00 N ATOM 1083 CZ ARG A 71 -10.485 -0.482 10.068 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -10.213 -1.747 10.417 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -11.525 0.157 10.621 1.00 0.00 N ATOM 0 H ARG A 71 -6.007 -2.123 5.305 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.803 0.127 4.764 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.524 -1.040 7.113 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.139 0.665 6.993 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.322 1.332 7.342 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.992 -0.013 6.440 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.747 -1.527 8.303 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.679 -0.431 9.157 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.951 1.107 8.924 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.421 -2.233 9.996 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.798 -2.224 11.103 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.732 1.120 10.356 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.110 -0.320 11.307 1.00 0.00 H new ATOM 1099 N VAL A 72 -6.140 1.790 3.994 1.00 0.00 N ATOM 1100 CA VAL A 72 -5.193 2.728 3.415 1.00 0.00 C ATOM 1101 C VAL A 72 -5.245 4.044 4.193 1.00 0.00 C ATOM 1102 O VAL A 72 -6.319 4.489 4.597 1.00 0.00 O ATOM 1103 CB VAL A 72 -5.477 2.904 1.922 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -4.919 4.234 1.411 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -4.919 1.729 1.116 1.00 0.00 C ATOM 0 H VAL A 72 -7.119 2.061 3.901 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.176 2.343 3.495 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.558 2.920 1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.134 4.334 0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.384 5.057 1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.841 4.260 1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.134 1.879 0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.841 1.667 1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.384 0.803 1.453 1.00 0.00 H new ATOM 1115 N TYR A 73 -4.072 4.632 4.379 1.00 0.00 N ATOM 1116 CA TYR A 73 -3.971 5.889 5.101 1.00 0.00 C ATOM 1117 C TYR A 73 -2.984 6.836 4.417 1.00 0.00 C ATOM 1118 O TYR A 73 -1.940 6.405 3.930 1.00 0.00 O ATOM 1119 CB TYR A 73 -3.439 5.535 6.492 1.00 0.00 C ATOM 1120 CG TYR A 73 -4.439 4.774 7.365 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -5.681 5.318 7.626 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -4.099 3.545 7.893 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -6.622 4.602 8.448 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -5.040 2.830 8.716 1.00 0.00 C ATOM 1125 CZ TYR A 73 -6.255 3.394 8.952 1.00 0.00 C ATOM 1126 OH TYR A 73 -7.144 2.718 9.729 1.00 0.00 O ATOM 0 H TYR A 73 -3.184 4.261 4.042 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.939 6.389 5.138 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -2.537 4.934 6.382 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.150 6.453 7.004 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.947 6.280 7.214 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.127 3.120 7.689 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -7.597 5.015 8.659 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.787 1.868 9.136 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.747 1.870 10.018 1.00 0.00 H new ATOM 1136 N ALA A 74 -3.349 8.110 4.401 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.509 9.122 3.784 1.00 0.00 C ATOM 1138 C ALA A 74 -2.693 10.450 4.522 1.00 0.00 C ATOM 1139 O ALA A 74 -3.798 10.778 4.951 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.849 9.230 2.296 1.00 0.00 C ATOM 0 H ALA A 74 -4.216 8.464 4.806 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.457 8.846 3.859 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.219 9.989 1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.674 8.269 1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.897 9.509 2.181 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.592 11.177 4.647 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.618 12.462 5.326 1.00 0.00 C ATOM 1148 C GLU A 75 -0.483 13.353 4.818 1.00 0.00 C ATOM 1149 O GLU A 75 0.628 12.878 4.586 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.537 12.282 6.843 1.00 0.00 C ATOM 1151 CG GLU A 75 -0.307 11.461 7.233 1.00 0.00 C ATOM 1152 CD GLU A 75 -0.665 10.396 8.271 1.00 0.00 C ATOM 1153 OE1 GLU A 75 -1.278 9.387 7.860 1.00 0.00 O ATOM 1154 OE2 GLU A 75 -0.318 10.614 9.452 1.00 0.00 O ATOM 0 H GLU A 75 -0.677 10.901 4.290 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.566 12.951 5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.496 13.258 7.327 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.439 11.786 7.203 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.112 10.984 6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.463 12.121 7.634 1.00 0.00 H new ATOM 1161 N ALA A 76 -0.801 14.629 4.660 1.00 0.00 N ATOM 1162 CA ALA A 76 0.178 15.591 4.183 1.00 0.00 C ATOM 1163 C ALA A 76 -0.089 16.950 4.835 1.00 0.00 C ATOM 1164 O ALA A 76 -1.027 17.093 5.617 1.00 0.00 O ATOM 1165 CB ALA A 76 0.128 15.658 2.656 1.00 0.00 C ATOM 0 H ALA A 76 -1.723 15.019 4.854 1.00 0.00 H new ATOM 0 HA ALA A 76 1.185 15.283 4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.863 16.380 2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.353 14.676 2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.868 15.966 2.338 1.00 0.00 H new ATOM 1171 N ASN A 77 0.754 17.912 4.489 1.00 0.00 N ATOM 1172 CA ASN A 77 0.620 19.254 5.030 1.00 0.00 C ATOM 1173 C ASN A 77 -0.557 19.958 4.354 1.00 0.00 C ATOM 1174 O ASN A 77 -1.076 20.946 4.872 1.00 0.00 O ATOM 1175 CB ASN A 77 1.880 20.081 4.768 1.00 0.00 C ATOM 1176 CG ASN A 77 1.639 21.561 5.076 1.00 0.00 C ATOM 1177 OD1 ASN A 77 1.017 21.922 6.061 1.00 0.00 O ATOM 1178 ND2 ASN A 77 2.164 22.392 4.181 1.00 0.00 N ATOM 0 H ASN A 77 1.532 17.789 3.841 1.00 0.00 H new ATOM 0 HA ASN A 77 0.461 19.169 6.105 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.699 19.707 5.382 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.184 19.967 3.727 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.057 23.400 4.297 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.673 22.022 3.379 1.00 0.00 H new ATOM 1185 N SER A 78 -0.946 19.421 3.206 1.00 0.00 N ATOM 1186 CA SER A 78 -2.053 19.985 2.453 1.00 0.00 C ATOM 1187 C SER A 78 -3.083 18.898 2.143 1.00 0.00 C ATOM 1188 O SER A 78 -2.734 17.725 2.019 1.00 0.00 O ATOM 1189 CB SER A 78 -1.563 20.638 1.159 1.00 0.00 C ATOM 1190 OG SER A 78 -0.203 21.052 1.252 1.00 0.00 O ATOM 0 H SER A 78 -0.514 18.601 2.780 1.00 0.00 H new ATOM 0 HA SER A 78 -2.523 20.757 3.062 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.672 19.934 0.334 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.189 21.500 0.928 1.00 0.00 H new ATOM 0 HG SER A 78 0.073 21.462 0.406 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.332 19.325 2.025 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.415 18.402 1.731 1.00 0.00 C ATOM 1198 C GLN A 79 -5.279 17.862 0.306 1.00 0.00 C ATOM 1199 O GLN A 79 -5.553 16.689 0.055 1.00 0.00 O ATOM 1200 CB GLN A 79 -6.776 19.070 1.938 1.00 0.00 C ATOM 1201 CG GLN A 79 -7.915 18.123 1.557 1.00 0.00 C ATOM 1202 CD GLN A 79 -9.255 18.861 1.525 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -9.581 19.646 2.399 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -10.010 18.566 0.470 1.00 0.00 N ATOM 0 H GLN A 79 -4.618 20.299 2.128 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.351 17.563 2.424 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.882 19.372 2.980 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.835 19.977 1.336 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.715 17.683 0.580 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.965 17.302 2.273 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.676 17.899 -0.226 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.923 19.007 0.357 1.00 0.00 H new ATOM 1213 N GLU A 80 -4.858 18.743 -0.589 1.00 0.00 N ATOM 1214 CA GLU A 80 -4.683 18.369 -1.982 1.00 0.00 C ATOM 1215 C GLU A 80 -3.698 17.204 -2.099 1.00 0.00 C ATOM 1216 O GLU A 80 -3.868 16.326 -2.944 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.219 19.565 -2.816 1.00 0.00 C ATOM 1218 CG GLU A 80 -5.235 19.896 -3.912 1.00 0.00 C ATOM 1219 CD GLU A 80 -4.788 21.112 -4.725 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -3.734 20.996 -5.386 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -5.510 22.131 -4.666 1.00 0.00 O ATOM 0 H GLU A 80 -4.633 19.715 -0.377 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.647 18.045 -2.375 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.080 20.432 -2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.251 19.345 -3.267 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.356 19.037 -4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.209 20.092 -3.463 1.00 0.00 H new ATOM 1228 N SER A 81 -2.691 17.233 -1.240 1.00 0.00 N ATOM 1229 CA SER A 81 -1.679 16.191 -1.236 1.00 0.00 C ATOM 1230 C SER A 81 -2.208 14.951 -0.512 1.00 0.00 C ATOM 1231 O SER A 81 -1.992 13.826 -0.962 1.00 0.00 O ATOM 1232 CB SER A 81 -0.387 16.679 -0.578 1.00 0.00 C ATOM 1233 OG SER A 81 -0.579 17.895 0.139 1.00 0.00 O ATOM 0 H SER A 81 -2.554 17.963 -0.541 1.00 0.00 H new ATOM 0 HA SER A 81 -1.452 15.931 -2.270 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.014 15.913 0.102 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.376 16.826 -1.342 1.00 0.00 H new ATOM 0 HG SER A 81 -1.259 17.762 0.832 1.00 0.00 H new ATOM 1239 N ALA A 82 -2.890 15.198 0.596 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.451 14.116 1.387 1.00 0.00 C ATOM 1241 C ALA A 82 -4.320 13.232 0.489 1.00 0.00 C ATOM 1242 O ALA A 82 -4.206 12.008 0.520 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.234 14.697 2.566 1.00 0.00 C ATOM 0 H ALA A 82 -3.067 16.132 0.965 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.659 13.491 1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.655 13.885 3.159 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.566 15.292 3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.040 15.328 2.192 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.169 13.887 -0.289 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.057 13.177 -1.193 1.00 0.00 C ATOM 1251 C ASP A 83 -5.225 12.456 -2.255 1.00 0.00 C ATOM 1252 O ASP A 83 -5.225 11.228 -2.321 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.003 14.143 -1.908 1.00 0.00 C ATOM 1254 CG ASP A 83 -8.483 13.977 -1.558 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -8.892 14.557 -0.529 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -9.173 13.273 -2.327 1.00 0.00 O ATOM 0 H ASP A 83 -5.261 14.903 -0.312 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.642 12.470 -0.605 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.702 15.164 -1.672 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.883 14.016 -2.984 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.537 13.251 -3.062 1.00 0.00 N ATOM 1262 CA ARG A 84 -3.702 12.704 -4.118 1.00 0.00 C ATOM 1263 C ARG A 84 -2.973 11.453 -3.624 1.00 0.00 C ATOM 1264 O ARG A 84 -3.198 10.356 -4.135 1.00 0.00 O ATOM 1265 CB ARG A 84 -2.674 13.731 -4.595 1.00 0.00 C ATOM 1266 CG ARG A 84 -2.876 14.063 -6.074 1.00 0.00 C ATOM 1267 CD ARG A 84 -3.053 15.570 -6.279 1.00 0.00 C ATOM 1268 NE ARG A 84 -2.732 15.932 -7.677 1.00 0.00 N ATOM 1269 CZ ARG A 84 -3.597 15.833 -8.696 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -4.840 15.383 -8.478 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -3.219 16.185 -9.932 1.00 0.00 N ATOM 0 H ARG A 84 -4.541 14.269 -3.006 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.352 12.443 -4.953 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.760 14.640 -4.000 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.668 13.342 -4.440 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.019 13.712 -6.649 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.752 13.536 -6.452 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.078 15.859 -6.046 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.404 16.117 -5.595 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.794 16.279 -7.878 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.128 15.116 -7.537 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.498 15.308 -9.253 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.273 16.528 -10.098 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.877 16.110 -10.708 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.113 11.659 -2.637 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.350 10.561 -2.069 1.00 0.00 C ATOM 1287 C LEU A 85 -2.274 9.363 -1.846 1.00 0.00 C ATOM 1288 O LEU A 85 -2.041 8.285 -2.391 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.618 11.016 -0.804 1.00 0.00 C ATOM 1290 CG LEU A 85 0.783 10.438 -0.596 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.646 10.625 -1.845 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.442 11.033 0.650 1.00 0.00 C ATOM 0 H LEU A 85 -1.928 12.570 -2.217 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.573 10.239 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.542 12.103 -0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.229 10.755 0.060 1.00 0.00 H new ATOM 0 HG LEU A 85 0.688 9.365 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.636 10.205 -1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.180 10.115 -2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.737 11.688 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.437 10.605 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.523 12.114 0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.836 10.804 1.527 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.305 9.592 -1.046 1.00 0.00 N ATOM 1305 CA ALA A 86 -4.266 8.544 -0.745 1.00 0.00 C ATOM 1306 C ALA A 86 -4.710 7.876 -2.047 1.00 0.00 C ATOM 1307 O ALA A 86 -4.419 6.703 -2.277 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.441 9.138 0.035 1.00 0.00 C ATOM 0 H ALA A 86 -3.496 10.488 -0.597 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.813 7.776 -0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.162 8.352 0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.077 9.575 0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.922 9.911 -0.565 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.406 8.651 -2.866 1.00 0.00 N ATOM 1315 CA TYR A 87 -5.892 8.148 -4.140 1.00 0.00 C ATOM 1316 C TYR A 87 -4.824 7.305 -4.840 1.00 0.00 C ATOM 1317 O TYR A 87 -5.128 6.255 -5.403 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.192 9.382 -4.993 1.00 0.00 C ATOM 1319 CG TYR A 87 -6.077 9.140 -6.499 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -7.046 8.410 -7.157 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -5.003 9.651 -7.200 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -6.937 8.182 -8.575 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -4.895 9.423 -8.618 1.00 0.00 C ATOM 1324 CZ TYR A 87 -5.867 8.700 -9.235 1.00 0.00 C ATOM 1325 OH TYR A 87 -5.764 8.484 -10.574 1.00 0.00 O ATOM 0 H TYR A 87 -5.645 9.623 -2.672 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.769 7.517 -3.995 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.200 9.731 -4.767 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.507 10.182 -4.710 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -7.886 8.010 -6.609 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -4.244 10.222 -6.685 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -7.688 7.612 -9.102 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.060 9.818 -9.179 1.00 0.00 H new ATOM 0 HH TYR A 87 -4.951 8.913 -10.913 1.00 0.00 H new ATOM 1335 N GLU A 88 -3.596 7.798 -4.783 1.00 0.00 N ATOM 1336 CA GLU A 88 -2.481 7.103 -5.405 1.00 0.00 C ATOM 1337 C GLU A 88 -2.236 5.763 -4.709 1.00 0.00 C ATOM 1338 O GLU A 88 -2.439 4.705 -5.303 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.219 7.968 -5.390 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.209 8.944 -6.569 1.00 0.00 C ATOM 1341 CD GLU A 88 0.161 8.968 -7.249 1.00 0.00 C ATOM 1342 OE1 GLU A 88 0.633 7.869 -7.614 1.00 0.00 O ATOM 1343 OE2 GLU A 88 0.706 10.084 -7.390 1.00 0.00 O ATOM 0 H GLU A 88 -3.348 8.670 -4.316 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.735 6.908 -6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.165 8.523 -4.453 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.336 7.330 -5.434 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.972 8.655 -7.291 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.463 9.945 -6.220 1.00 0.00 H new ATOM 1350 N VAL A 89 -1.803 5.852 -3.460 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.528 4.659 -2.677 1.00 0.00 C ATOM 1352 C VAL A 89 -2.602 3.608 -2.963 1.00 0.00 C ATOM 1353 O VAL A 89 -2.292 2.503 -3.406 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.424 5.020 -1.194 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -1.259 3.764 -0.335 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -0.280 6.006 -0.948 1.00 0.00 C ATOM 0 H VAL A 89 -1.636 6.731 -2.971 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.568 4.228 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.354 5.507 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.187 4.048 0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.120 3.111 -0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.352 3.237 -0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.228 6.246 0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.661 5.557 -1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.457 6.918 -1.518 1.00 0.00 H new ATOM 1366 N SER A 90 -3.843 3.989 -2.698 1.00 0.00 N ATOM 1367 CA SER A 90 -4.965 3.092 -2.921 1.00 0.00 C ATOM 1368 C SER A 90 -4.813 2.390 -4.271 1.00 0.00 C ATOM 1369 O SER A 90 -4.940 1.170 -4.358 1.00 0.00 O ATOM 1370 CB SER A 90 -6.294 3.848 -2.862 1.00 0.00 C ATOM 1371 OG SER A 90 -6.213 5.121 -3.498 1.00 0.00 O ATOM 0 H SER A 90 -4.097 4.906 -2.331 1.00 0.00 H new ATOM 0 HA SER A 90 -4.968 2.344 -2.128 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.071 3.252 -3.341 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.590 3.981 -1.821 1.00 0.00 H new ATOM 0 HG SER A 90 -5.951 5.003 -4.435 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.543 3.191 -5.292 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.373 2.662 -6.634 1.00 0.00 C ATOM 1379 C LEU A 91 -3.131 1.769 -6.672 1.00 0.00 C ATOM 1380 O LEU A 91 -3.190 0.636 -7.148 1.00 0.00 O ATOM 1381 CB LEU A 91 -4.345 3.798 -7.659 1.00 0.00 C ATOM 1382 CG LEU A 91 -5.664 4.084 -8.379 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -5.989 5.579 -8.354 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -5.643 3.526 -9.804 1.00 0.00 C ATOM 0 H LEU A 91 -4.438 4.203 -5.216 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.224 2.038 -6.908 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.025 4.709 -7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.588 3.566 -8.408 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.463 3.571 -7.844 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.931 5.755 -8.872 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.075 5.915 -7.321 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.192 6.133 -8.851 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.592 3.743 -10.294 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.831 3.990 -10.364 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.490 2.447 -9.770 1.00 0.00 H new ATOM 1396 N LEU A 92 -2.035 2.312 -6.163 1.00 0.00 N ATOM 1397 CA LEU A 92 -0.781 1.579 -6.133 1.00 0.00 C ATOM 1398 C LEU A 92 -1.040 0.155 -5.637 1.00 0.00 C ATOM 1399 O LEU A 92 -0.637 -0.813 -6.280 1.00 0.00 O ATOM 1400 CB LEU A 92 0.263 2.337 -5.309 1.00 0.00 C ATOM 1401 CG LEU A 92 0.402 3.830 -5.613 1.00 0.00 C ATOM 1402 CD1 LEU A 92 1.810 4.328 -5.281 1.00 0.00 C ATOM 1403 CD2 LEU A 92 0.013 4.133 -7.061 1.00 0.00 C ATOM 0 H LEU A 92 -1.989 3.251 -5.768 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.363 1.497 -7.136 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.017 2.223 -4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.232 1.863 -5.463 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.291 4.375 -4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.882 5.392 -5.506 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.013 4.167 -4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.540 3.781 -5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.121 5.201 -7.251 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.663 3.577 -7.736 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.023 3.837 -7.229 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.710 0.072 -4.497 1.00 0.00 N ATOM 1416 CA VAL A 93 -2.027 -1.218 -3.908 1.00 0.00 C ATOM 1417 C VAL A 93 -2.745 -2.085 -4.944 1.00 0.00 C ATOM 1418 O VAL A 93 -2.221 -3.114 -5.367 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.840 -1.022 -2.626 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -2.911 -2.319 -1.818 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -2.267 0.119 -1.783 1.00 0.00 C ATOM 0 H VAL A 93 -2.042 0.877 -3.966 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.115 -1.742 -3.622 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.856 -0.750 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.494 -2.152 -0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.386 -3.096 -2.417 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.903 -2.635 -1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.863 0.237 -0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.237 -0.111 -1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.293 1.045 -2.358 1.00 0.00 H new ATOM 1431 N PHE A 94 -3.932 -1.636 -5.324 1.00 0.00 N ATOM 1432 CA PHE A 94 -4.727 -2.358 -6.303 1.00 0.00 C ATOM 1433 C PHE A 94 -3.856 -2.849 -7.461 1.00 0.00 C ATOM 1434 O PHE A 94 -4.165 -3.860 -8.090 1.00 0.00 O ATOM 1435 CB PHE A 94 -5.769 -1.378 -6.844 1.00 0.00 C ATOM 1436 CG PHE A 94 -6.963 -2.051 -7.524 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -6.794 -2.702 -8.706 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -8.193 -1.999 -6.946 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -7.902 -3.326 -9.337 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -9.301 -2.624 -7.577 1.00 0.00 C ATOM 1441 CZ PHE A 94 -9.132 -3.274 -8.759 1.00 0.00 C ATOM 0 H PHE A 94 -4.363 -0.781 -4.972 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.190 -3.228 -5.838 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -6.133 -0.760 -6.023 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.288 -0.709 -7.557 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -5.817 -2.744 -9.165 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.327 -1.482 -6.007 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.768 -3.842 -10.276 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.278 -2.583 -7.118 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.975 -3.749 -9.239 1.00 0.00 H new ATOM 1451 N GLN A 95 -2.785 -2.109 -7.709 1.00 0.00 N ATOM 1452 CA GLN A 95 -1.868 -2.456 -8.781 1.00 0.00 C ATOM 1453 C GLN A 95 -0.857 -3.498 -8.298 1.00 0.00 C ATOM 1454 O GLN A 95 -0.720 -4.561 -8.902 1.00 0.00 O ATOM 1455 CB GLN A 95 -1.158 -1.212 -9.320 1.00 0.00 C ATOM 1456 CG GLN A 95 -1.917 -0.619 -10.508 1.00 0.00 C ATOM 1457 CD GLN A 95 -1.064 -0.658 -11.778 1.00 0.00 C ATOM 1458 OE1 GLN A 95 -0.008 -1.266 -11.829 1.00 0.00 O ATOM 1459 NE2 GLN A 95 -1.580 0.025 -12.797 1.00 0.00 N ATOM 0 H GLN A 95 -2.532 -1.271 -7.186 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.444 -2.888 -9.599 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.073 -0.466 -8.530 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.144 -1.471 -9.624 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.840 -1.175 -10.669 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.199 0.410 -10.287 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.469 0.512 -12.686 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.086 0.061 -13.689 1.00 0.00 H new ATOM 1468 N LEU A 96 -0.176 -3.157 -7.215 1.00 0.00 N ATOM 1469 CA LEU A 96 0.818 -4.050 -6.644 1.00 0.00 C ATOM 1470 C LEU A 96 0.115 -5.255 -6.017 1.00 0.00 C ATOM 1471 O LEU A 96 -0.060 -6.285 -6.667 1.00 0.00 O ATOM 1472 CB LEU A 96 1.724 -3.292 -5.671 1.00 0.00 C ATOM 1473 CG LEU A 96 2.718 -2.316 -6.303 1.00 0.00 C ATOM 1474 CD1 LEU A 96 3.561 -3.008 -7.376 1.00 0.00 C ATOM 1475 CD2 LEU A 96 2.001 -1.079 -6.847 1.00 0.00 C ATOM 0 H LEU A 96 -0.293 -2.274 -6.717 1.00 0.00 H new ATOM 0 HA LEU A 96 1.476 -4.434 -7.423 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.094 -2.738 -4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.283 -4.020 -5.084 1.00 0.00 H new ATOM 0 HG LEU A 96 3.403 -1.976 -5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.259 -2.291 -7.809 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.117 -3.831 -6.927 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.908 -3.396 -8.158 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.730 -0.401 -7.291 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.278 -1.381 -7.605 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.483 -0.572 -6.033 1.00 0.00 H new ATOM 1487 N ALA A 97 -0.271 -5.088 -4.760 1.00 0.00 N ATOM 1488 CA ALA A 97 -0.951 -6.149 -4.038 1.00 0.00 C ATOM 1489 C ALA A 97 -1.960 -6.826 -4.967 1.00 0.00 C ATOM 1490 O ALA A 97 -1.972 -8.050 -5.089 1.00 0.00 O ATOM 1491 CB ALA A 97 -1.611 -5.571 -2.784 1.00 0.00 C ATOM 0 H ALA A 97 -0.125 -4.233 -4.223 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.240 -6.909 -3.713 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.122 -6.367 -2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.849 -5.127 -2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.333 -4.807 -3.072 1.00 0.00 H new ATOM 1497 N GLY A 98 -2.782 -6.001 -5.599 1.00 0.00 N ATOM 1498 CA GLY A 98 -3.792 -6.506 -6.514 1.00 0.00 C ATOM 1499 C GLY A 98 -5.185 -6.438 -5.884 1.00 0.00 C ATOM 1500 O GLY A 98 -5.428 -7.043 -4.840 1.00 0.00 O ATOM 0 H GLY A 98 -2.769 -4.986 -5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.777 -5.924 -7.435 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.561 -7.536 -6.784 1.00 0.00 H new ATOM 1504 N GLY A 99 -6.063 -5.698 -6.544 1.00 0.00 N ATOM 1505 CA GLY A 99 -7.425 -5.543 -6.062 1.00 0.00 C ATOM 1506 C GLY A 99 -8.404 -6.347 -6.920 1.00 0.00 C ATOM 1507 O GLY A 99 -7.993 -7.062 -7.833 1.00 0.00 O ATOM 0 H GLY A 99 -5.858 -5.199 -7.409 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.488 -5.874 -5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.703 -4.489 -6.078 1.00 0.00 H new ATOM 1511 N ILE A 100 -9.681 -6.203 -6.596 1.00 0.00 N ATOM 1512 CA ILE A 100 -10.722 -6.907 -7.325 1.00 0.00 C ATOM 1513 C ILE A 100 -11.593 -5.892 -8.068 1.00 0.00 C ATOM 1514 O ILE A 100 -11.488 -4.689 -7.834 1.00 0.00 O ATOM 1515 CB ILE A 100 -11.510 -7.821 -6.385 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -12.424 -7.007 -5.466 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -10.571 -8.736 -5.595 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -13.630 -7.835 -5.019 1.00 0.00 C ATOM 0 H ILE A 100 -10.018 -5.609 -5.838 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.283 -7.563 -8.077 1.00 0.00 H new ATOM 0 HB ILE A 100 -12.151 -8.462 -6.990 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -11.864 -6.673 -4.593 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.765 -6.112 -5.987 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.157 -9.375 -4.934 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.000 -9.355 -6.286 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.887 -8.130 -5.001 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -14.263 -7.233 -4.367 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -14.202 -8.147 -5.893 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -13.286 -8.716 -4.478 1.00 0.00 H new