USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 659 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 61 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -6.48! C(o=-6.5!,f=-6.8!) USER MOD Single : A 22 LYS NZ :NH3+ 159:sc= -0.123 (180deg=-0.684) USER MOD Single : A 28 SER OG : rot 180:sc= -0.301 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.43) USER MOD Single : A 40 ASN : amide:sc= -1.45 X(o=-1.5,f=-1.4!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 161:sc= -0.0783 (180deg=-0.568) USER MOD Single : A 45 GLN : amide:sc= -1.47 K(o=-1.5,f=-3.2!) USER MOD Single : A 47 SER OG : rot -77:sc= 0.648 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -1.02 X(o=-1,f=-0.66) USER MOD Single : A 63 LYS NZ :NH3+ 162:sc= -0.0503 (180deg=-0.511) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.6) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.754 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 152:sc= -0.177 (180deg=-0.88) USER MOD ----------------------------------------------------------------- ATOM 141 N ILE A 9 0.360 4.566 3.607 1.00 1.00 N ATOM 142 CA ILE A 9 0.717 3.940 2.317 1.00 1.00 C ATOM 143 C ILE A 9 0.795 5.009 1.211 1.00 1.00 C ATOM 144 O ILE A 9 -0.076 5.862 1.046 1.00 1.00 O ATOM 145 CB ILE A 9 -0.349 2.865 1.954 1.00 1.00 C ATOM 146 CG1 ILE A 9 -0.400 1.780 3.085 1.00 1.00 C ATOM 147 CG2 ILE A 9 0.010 2.184 0.589 1.00 1.00 C ATOM 148 CD1 ILE A 9 -1.612 0.852 2.894 1.00 1.00 C ATOM 0 HA ILE A 9 1.693 3.464 2.404 1.00 1.00 H new ATOM 0 HB ILE A 9 -1.322 3.347 1.862 1.00 1.00 H new ATOM 0 HG12 ILE A 9 0.519 1.193 3.075 1.00 1.00 H new ATOM 0 HG13 ILE A 9 -0.457 2.265 4.059 1.00 1.00 H new ATOM 0 HG21 ILE A 9 -0.743 1.434 0.347 1.00 1.00 H new ATOM 0 HG22 ILE A 9 0.037 2.938 -0.198 1.00 1.00 H new ATOM 0 HG23 ILE A 9 0.986 1.705 0.667 1.00 1.00 H new ATOM 0 HD11 ILE A 9 -1.628 0.107 3.689 1.00 1.00 H new ATOM 0 HD12 ILE A 9 -2.529 1.440 2.928 1.00 1.00 H new ATOM 0 HD13 ILE A 9 -1.538 0.351 1.929 1.00 1.00 H new ATOM 160 N VAL A 10 1.863 4.922 0.424 1.00 1.00 N ATOM 161 CA VAL A 10 2.090 5.865 -0.700 1.00 1.00 C ATOM 162 C VAL A 10 1.680 5.202 -2.019 1.00 1.00 C ATOM 163 O VAL A 10 1.994 4.039 -2.273 1.00 1.00 O ATOM 164 CB VAL A 10 3.583 6.298 -0.751 1.00 1.00 C ATOM 165 CG1 VAL A 10 3.795 7.398 -1.829 1.00 1.00 C ATOM 166 CG2 VAL A 10 4.000 6.853 0.633 1.00 1.00 C ATOM 0 H VAL A 10 2.591 4.216 0.532 1.00 1.00 H new ATOM 0 HA VAL A 10 1.481 6.756 -0.546 1.00 1.00 H new ATOM 0 HB VAL A 10 4.193 5.432 -1.008 1.00 1.00 H new ATOM 0 HG11 VAL A 10 4.845 7.689 -1.851 1.00 1.00 H new ATOM 0 HG12 VAL A 10 3.506 7.011 -2.806 1.00 1.00 H new ATOM 0 HG13 VAL A 10 3.183 8.267 -1.587 1.00 1.00 H new ATOM 0 HG21 VAL A 10 5.046 7.158 0.603 1.00 1.00 H new ATOM 0 HG22 VAL A 10 3.378 7.713 0.883 1.00 1.00 H new ATOM 0 HG23 VAL A 10 3.870 6.079 1.390 1.00 1.00 H new ATOM 176 N LEU A 11 0.996 5.949 -2.878 1.00 1.00 N ATOM 177 CA LEU A 11 0.545 5.416 -4.184 1.00 1.00 C ATOM 178 C LEU A 11 1.560 5.809 -5.281 1.00 1.00 C ATOM 179 O LEU A 11 1.700 6.975 -5.647 1.00 1.00 O ATOM 180 CB LEU A 11 -0.888 5.969 -4.498 1.00 1.00 C ATOM 181 CG LEU A 11 -1.710 5.013 -5.446 1.00 1.00 C ATOM 182 CD1 LEU A 11 -0.912 4.695 -6.738 1.00 1.00 C ATOM 183 CD2 LEU A 11 -2.127 3.675 -4.721 1.00 1.00 C ATOM 0 H LEU A 11 0.737 6.921 -2.707 1.00 1.00 H new ATOM 0 HA LEU A 11 0.492 4.328 -4.152 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -1.434 6.106 -3.564 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -0.801 6.951 -4.964 1.00 1.00 H new ATOM 0 HG LEU A 11 -2.624 5.543 -5.716 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -1.500 4.034 -7.375 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -0.701 5.621 -7.272 1.00 1.00 H new ATOM 0 HD13 LEU A 11 0.026 4.206 -6.475 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -2.691 3.048 -5.411 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -1.233 3.144 -4.395 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -2.746 3.908 -3.855 1.00 1.00 H new ATOM 195 N ARG A 12 2.265 4.810 -5.805 1.00 1.00 N ATOM 196 CA ARG A 12 3.283 5.034 -6.868 1.00 1.00 C ATOM 197 C ARG A 12 2.733 4.609 -8.225 1.00 1.00 C ATOM 198 O ARG A 12 1.850 3.758 -8.314 1.00 1.00 O ATOM 199 CB ARG A 12 4.576 4.241 -6.537 1.00 1.00 C ATOM 200 CG ARG A 12 5.754 4.682 -7.444 1.00 1.00 C ATOM 201 CD ARG A 12 7.047 3.934 -7.061 1.00 1.00 C ATOM 202 NE ARG A 12 8.179 4.457 -7.842 1.00 1.00 N ATOM 203 CZ ARG A 12 8.314 4.217 -9.153 1.00 1.00 C ATOM 204 NH1 ARG A 12 7.479 3.424 -9.772 1.00 1.00 N ATOM 205 NH2 ARG A 12 9.307 4.748 -9.813 1.00 1.00 N ATOM 0 H ARG A 12 2.162 3.835 -5.523 1.00 1.00 H new ATOM 0 HA ARG A 12 3.522 6.097 -6.910 1.00 1.00 H new ATOM 0 HB2 ARG A 12 4.842 4.395 -5.491 1.00 1.00 H new ATOM 0 HB3 ARG A 12 4.394 3.174 -6.666 1.00 1.00 H new ATOM 0 HG2 ARG A 12 5.509 4.485 -8.488 1.00 1.00 H new ATOM 0 HG3 ARG A 12 5.909 5.757 -7.351 1.00 1.00 H new ATOM 0 HD2 ARG A 12 7.244 4.052 -5.995 1.00 1.00 H new ATOM 0 HD3 ARG A 12 6.928 2.866 -7.247 1.00 1.00 H new ATOM 0 HE ARG A 12 8.885 5.021 -7.369 1.00 1.00 H new ATOM 0 HH11 ARG A 12 6.718 2.983 -9.257 1.00 1.00 H new ATOM 0 HH12 ARG A 12 7.589 3.247 -10.770 1.00 1.00 H new ATOM 0 HH21 ARG A 12 9.979 5.345 -9.331 1.00 1.00 H new ATOM 0 HH22 ARG A 12 9.411 4.566 -10.811 1.00 1.00 H new ATOM 219 N ASN A 13 3.253 5.211 -9.291 1.00 1.00 N ATOM 220 CA ASN A 13 2.822 4.905 -10.651 1.00 1.00 C ATOM 221 C ASN A 13 1.314 5.111 -10.793 1.00 1.00 C ATOM 222 O ASN A 13 0.617 4.283 -11.379 1.00 1.00 O ATOM 223 CB ASN A 13 3.209 3.457 -11.026 1.00 1.00 C ATOM 224 CG ASN A 13 4.706 3.238 -10.832 1.00 1.00 C ATOM 225 OD1 ASN A 13 5.517 4.024 -11.320 1.00 1.00 O ATOM 226 ND2 ASN A 13 5.124 2.207 -10.149 1.00 1.00 N ATOM 0 H ASN A 13 3.982 5.922 -9.237 1.00 1.00 H new ATOM 0 HA ASN A 13 3.328 5.586 -11.336 1.00 1.00 H new ATOM 0 HB2 ASN A 13 2.649 2.753 -10.410 1.00 1.00 H new ATOM 0 HB3 ASN A 13 2.938 3.258 -12.063 1.00 1.00 H new ATOM 0 HD21 ASN A 13 6.124 2.052 -10.019 1.00 1.00 H new ATOM 0 HD22 ASN A 13 4.451 1.556 -9.745 1.00 1.00 H new ATOM 233 N LEU A 14 0.810 6.215 -10.250 1.00 1.00 N ATOM 234 CA LEU A 14 -0.638 6.513 -10.304 1.00 1.00 C ATOM 235 C LEU A 14 -1.074 6.895 -11.752 1.00 1.00 C ATOM 236 O LEU A 14 -0.691 7.969 -12.216 1.00 1.00 O ATOM 237 CB LEU A 14 -0.985 7.686 -9.308 1.00 1.00 C ATOM 238 CG LEU A 14 -2.493 7.639 -8.816 1.00 1.00 C ATOM 239 CD1 LEU A 14 -2.682 8.558 -7.585 1.00 1.00 C ATOM 240 CD2 LEU A 14 -3.474 8.078 -9.951 1.00 1.00 C ATOM 0 H LEU A 14 1.368 6.920 -9.769 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.184 5.617 -10.008 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -0.322 7.633 -8.444 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -0.795 8.642 -9.797 1.00 1.00 H new ATOM 0 HG LEU A 14 -2.721 6.609 -8.542 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -3.721 8.517 -7.257 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -2.032 8.222 -6.777 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -2.426 9.583 -7.853 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -4.499 8.035 -9.583 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -3.241 9.097 -10.259 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -3.367 7.408 -10.804 1.00 1.00 H new ATOM 252 N PRO A 15 -1.885 6.112 -12.408 1.00 1.00 N ATOM 253 CA PRO A 15 -2.349 6.508 -13.798 1.00 1.00 C ATOM 254 C PRO A 15 -2.850 7.973 -13.853 1.00 1.00 C ATOM 255 O PRO A 15 -3.401 8.510 -12.892 1.00 1.00 O ATOM 256 CB PRO A 15 -3.496 5.522 -14.104 1.00 1.00 C ATOM 257 CG PRO A 15 -3.168 4.293 -13.298 1.00 1.00 C ATOM 258 CD PRO A 15 -2.473 4.799 -12.016 1.00 1.00 C ATOM 0 HA PRO A 15 -1.538 6.459 -14.525 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -4.462 5.937 -13.818 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -3.550 5.295 -15.169 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -4.071 3.732 -13.057 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -2.515 3.622 -13.857 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -3.183 4.910 -11.196 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -1.704 4.104 -11.680 1.00 1.00 H new ATOM 266 N GLU A 16 -2.626 8.638 -14.983 1.00 1.00 N ATOM 267 CA GLU A 16 -3.032 10.042 -15.170 1.00 1.00 C ATOM 268 C GLU A 16 -4.518 10.159 -15.538 1.00 1.00 C ATOM 269 O GLU A 16 -5.167 11.152 -15.209 1.00 1.00 O ATOM 270 CB GLU A 16 -2.136 10.710 -16.267 1.00 1.00 C ATOM 271 CG GLU A 16 -1.981 9.778 -17.512 1.00 1.00 C ATOM 272 CD GLU A 16 -0.919 8.690 -17.275 1.00 1.00 C ATOM 273 OE1 GLU A 16 0.243 9.043 -17.157 1.00 1.00 O ATOM 274 OE2 GLU A 16 -1.287 7.528 -17.208 1.00 1.00 O ATOM 0 H GLU A 16 -2.162 8.229 -15.794 1.00 1.00 H new ATOM 0 HA GLU A 16 -2.892 10.565 -14.224 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -2.576 11.659 -16.572 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -1.153 10.933 -15.852 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -2.939 9.309 -17.738 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -1.704 10.374 -18.382 1.00 1.00 H new ATOM 281 N ASP A 17 -5.045 9.169 -16.249 1.00 1.00 N ATOM 282 CA ASP A 17 -6.453 9.181 -16.699 1.00 1.00 C ATOM 283 C ASP A 17 -7.379 8.507 -15.685 1.00 1.00 C ATOM 284 O ASP A 17 -8.602 8.536 -15.825 1.00 1.00 O ATOM 285 CB ASP A 17 -6.529 8.442 -18.047 1.00 1.00 C ATOM 286 CG ASP A 17 -5.646 9.146 -19.082 1.00 1.00 C ATOM 287 OD1 ASP A 17 -5.628 10.366 -19.082 1.00 1.00 O ATOM 288 OD2 ASP A 17 -5.004 8.455 -19.854 1.00 1.00 O ATOM 0 H ASP A 17 -4.524 8.339 -16.533 1.00 1.00 H new ATOM 0 HA ASP A 17 -6.784 10.214 -16.801 1.00 1.00 H new ATOM 0 HB2 ASP A 17 -6.205 7.409 -17.923 1.00 1.00 H new ATOM 0 HB3 ASP A 17 -7.561 8.413 -18.397 1.00 1.00 H new ATOM 293 N LEU A 18 -6.800 7.895 -14.657 1.00 1.00 N ATOM 294 CA LEU A 18 -7.604 7.189 -13.610 1.00 1.00 C ATOM 295 C LEU A 18 -7.294 7.811 -12.239 1.00 1.00 C ATOM 296 O LEU A 18 -6.203 8.334 -12.005 1.00 1.00 O ATOM 297 CB LEU A 18 -7.319 5.642 -13.601 1.00 1.00 C ATOM 298 CG LEU A 18 -7.279 5.063 -15.063 1.00 1.00 C ATOM 299 CD1 LEU A 18 -6.794 3.592 -15.056 1.00 1.00 C ATOM 300 CD2 LEU A 18 -8.681 5.153 -15.739 1.00 1.00 C ATOM 0 H LEU A 18 -5.791 7.861 -14.508 1.00 1.00 H new ATOM 0 HA LEU A 18 -8.663 7.312 -13.838 1.00 1.00 H new ATOM 0 HB2 LEU A 18 -6.369 5.447 -13.104 1.00 1.00 H new ATOM 0 HB3 LEU A 18 -8.091 5.131 -13.025 1.00 1.00 H new ATOM 0 HG LEU A 18 -6.576 5.665 -15.638 1.00 1.00 H new ATOM 0 HD11 LEU A 18 -6.774 3.211 -16.077 1.00 1.00 H new ATOM 0 HD12 LEU A 18 -5.792 3.541 -14.630 1.00 1.00 H new ATOM 0 HD13 LEU A 18 -7.474 2.987 -14.456 1.00 1.00 H new ATOM 0 HD21 LEU A 18 -8.625 4.746 -16.749 1.00 1.00 H new ATOM 0 HD22 LEU A 18 -9.403 4.581 -15.157 1.00 1.00 H new ATOM 0 HD23 LEU A 18 -8.997 6.195 -15.785 1.00 1.00 H new ATOM 312 N VAL A 19 -8.258 7.758 -11.326 1.00 1.00 N ATOM 313 CA VAL A 19 -8.086 8.337 -9.964 1.00 1.00 C ATOM 314 C VAL A 19 -8.789 7.478 -8.917 1.00 1.00 C ATOM 315 O VAL A 19 -9.689 6.695 -9.218 1.00 1.00 O ATOM 316 CB VAL A 19 -8.643 9.797 -9.910 1.00 1.00 C ATOM 317 CG1 VAL A 19 -7.909 10.692 -10.944 1.00 1.00 C ATOM 318 CG2 VAL A 19 -10.179 9.813 -10.179 1.00 1.00 C ATOM 0 H VAL A 19 -9.168 7.326 -11.486 1.00 1.00 H new ATOM 0 HA VAL A 19 -7.019 8.357 -9.743 1.00 1.00 H new ATOM 0 HB VAL A 19 -8.465 10.194 -8.911 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -8.307 11.706 -10.895 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -6.843 10.710 -10.718 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -8.061 10.290 -11.946 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -10.545 10.839 -10.137 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -10.380 9.397 -11.166 1.00 1.00 H new ATOM 0 HG23 VAL A 19 -10.687 9.215 -9.423 1.00 1.00 H new ATOM 328 N LEU A 20 -8.375 7.653 -7.665 1.00 1.00 N ATOM 329 CA LEU A 20 -8.944 6.912 -6.535 1.00 1.00 C ATOM 330 C LEU A 20 -10.198 7.637 -6.004 1.00 1.00 C ATOM 331 O LEU A 20 -10.159 8.825 -5.677 1.00 1.00 O ATOM 332 CB LEU A 20 -7.845 6.805 -5.458 1.00 1.00 C ATOM 333 CG LEU A 20 -8.255 5.891 -4.263 1.00 1.00 C ATOM 334 CD1 LEU A 20 -8.528 4.421 -4.707 1.00 1.00 C ATOM 335 CD2 LEU A 20 -7.117 5.912 -3.207 1.00 1.00 C ATOM 0 H LEU A 20 -7.639 8.309 -7.402 1.00 1.00 H new ATOM 0 HA LEU A 20 -9.261 5.913 -6.835 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -6.935 6.414 -5.912 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -7.612 7.802 -5.083 1.00 1.00 H new ATOM 0 HG LEU A 20 -9.183 6.279 -3.844 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -8.810 3.825 -3.839 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -9.338 4.406 -5.436 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -7.627 4.003 -5.157 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -7.390 5.276 -2.365 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -6.196 5.542 -3.657 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -6.965 6.933 -2.857 1.00 1.00 H new ATOM 347 N GLU A 21 -11.315 6.921 -5.930 1.00 1.00 N ATOM 348 CA GLU A 21 -12.597 7.500 -5.458 1.00 1.00 C ATOM 349 C GLU A 21 -12.684 7.508 -3.927 1.00 1.00 C ATOM 350 O GLU A 21 -13.511 8.206 -3.339 1.00 1.00 O ATOM 351 CB GLU A 21 -13.777 6.695 -6.059 1.00 1.00 C ATOM 352 CG GLU A 21 -13.682 5.206 -5.663 1.00 1.00 C ATOM 353 CD GLU A 21 -14.856 4.423 -6.263 1.00 1.00 C ATOM 354 OE1 GLU A 21 -15.934 4.484 -5.696 1.00 1.00 O ATOM 355 OE2 GLU A 21 -14.658 3.782 -7.279 1.00 1.00 O ATOM 0 H GLU A 21 -11.373 5.936 -6.188 1.00 1.00 H new ATOM 0 HA GLU A 21 -12.650 8.536 -5.793 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -14.722 7.110 -5.708 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -13.771 6.788 -7.145 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -12.739 4.788 -6.015 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -13.688 5.110 -4.577 1.00 1.00 H new ATOM 362 N LYS A 22 -11.834 6.722 -3.277 1.00 1.00 N ATOM 363 CA LYS A 22 -11.842 6.655 -1.786 1.00 1.00 C ATOM 364 C LYS A 22 -10.441 6.280 -1.228 1.00 1.00 C ATOM 365 O LYS A 22 -9.875 5.301 -1.714 1.00 1.00 O ATOM 366 CB LYS A 22 -12.892 5.608 -1.335 1.00 1.00 C ATOM 367 CG LYS A 22 -13.141 5.702 0.192 1.00 1.00 C ATOM 368 CD LYS A 22 -14.172 4.641 0.633 1.00 1.00 C ATOM 369 CE LYS A 22 -14.409 4.741 2.154 1.00 1.00 C ATOM 370 NZ LYS A 22 -14.881 6.112 2.493 1.00 1.00 N ATOM 0 H LYS A 22 -11.139 6.128 -3.728 1.00 1.00 H new ATOM 0 HA LYS A 22 -12.101 7.638 -1.393 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -13.827 5.770 -1.871 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -12.547 4.606 -1.591 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -12.204 5.554 0.730 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -13.502 6.698 0.448 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -15.111 4.789 0.099 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -13.814 3.644 0.377 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -15.147 4.003 2.467 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -13.487 4.519 2.692 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -15.370 6.094 3.410 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -14.066 6.756 2.548 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -15.536 6.445 1.758 1.00 1.00 H new ATOM 384 N PRO A 23 -9.895 6.975 -0.269 1.00 1.00 N ATOM 385 CA PRO A 23 -8.527 6.622 0.258 1.00 1.00 C ATOM 386 C PRO A 23 -8.473 5.186 0.806 1.00 1.00 C ATOM 387 O PRO A 23 -9.463 4.625 1.272 1.00 1.00 O ATOM 388 CB PRO A 23 -8.251 7.701 1.356 1.00 1.00 C ATOM 389 CG PRO A 23 -9.621 8.134 1.784 1.00 1.00 C ATOM 390 CD PRO A 23 -10.441 8.150 0.483 1.00 1.00 C ATOM 0 HA PRO A 23 -7.764 6.633 -0.520 1.00 1.00 H new ATOM 0 HB2 PRO A 23 -7.684 7.287 2.190 1.00 1.00 H new ATOM 0 HB3 PRO A 23 -7.673 8.536 0.960 1.00 1.00 H new ATOM 0 HG2 PRO A 23 -10.046 7.444 2.513 1.00 1.00 H new ATOM 0 HG3 PRO A 23 -9.599 9.118 2.252 1.00 1.00 H new ATOM 0 HD2 PRO A 23 -11.509 8.045 0.677 1.00 1.00 H new ATOM 0 HD3 PRO A 23 -10.307 9.081 -0.068 1.00 1.00 H new ATOM 398 N LEU A 24 -7.277 4.605 0.760 1.00 1.00 N ATOM 399 CA LEU A 24 -7.033 3.223 1.227 1.00 1.00 C ATOM 400 C LEU A 24 -7.801 2.888 2.542 1.00 1.00 C ATOM 401 O LEU A 24 -8.001 3.790 3.354 1.00 1.00 O ATOM 402 CB LEU A 24 -5.505 3.034 1.433 1.00 1.00 C ATOM 403 CG LEU A 24 -4.696 3.377 0.099 1.00 1.00 C ATOM 404 CD1 LEU A 24 -3.945 4.730 0.238 1.00 1.00 C ATOM 405 CD2 LEU A 24 -3.673 2.256 -0.222 1.00 1.00 C ATOM 0 H LEU A 24 -6.444 5.070 0.400 1.00 1.00 H new ATOM 0 HA LEU A 24 -7.408 2.536 0.468 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -5.163 3.676 2.244 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -5.300 2.006 1.732 1.00 1.00 H new ATOM 0 HG LEU A 24 -5.417 3.452 -0.715 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -3.402 4.941 -0.683 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -4.664 5.527 0.426 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -3.242 4.672 1.069 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -3.132 2.508 -1.134 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -2.968 2.160 0.604 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -4.200 1.312 -0.361 1.00 1.00 H new ATOM 417 N PRO A 25 -8.228 1.673 2.756 1.00 1.00 N ATOM 418 CA PRO A 25 -8.993 1.320 4.008 1.00 1.00 C ATOM 419 C PRO A 25 -8.135 1.410 5.267 1.00 1.00 C ATOM 420 O PRO A 25 -8.641 1.700 6.349 1.00 1.00 O ATOM 421 CB PRO A 25 -9.485 -0.134 3.735 1.00 1.00 C ATOM 422 CG PRO A 25 -8.415 -0.691 2.846 1.00 1.00 C ATOM 423 CD PRO A 25 -8.073 0.466 1.887 1.00 1.00 C ATOM 0 HA PRO A 25 -9.811 2.014 4.203 1.00 1.00 H new ATOM 0 HB2 PRO A 25 -9.582 -0.707 4.657 1.00 1.00 H new ATOM 0 HB3 PRO A 25 -10.460 -0.145 3.248 1.00 1.00 H new ATOM 0 HG2 PRO A 25 -7.543 -1.002 3.421 1.00 1.00 H new ATOM 0 HG3 PRO A 25 -8.767 -1.567 2.302 1.00 1.00 H new ATOM 0 HD2 PRO A 25 -7.061 0.379 1.493 1.00 1.00 H new ATOM 0 HD3 PRO A 25 -8.747 0.495 1.031 1.00 1.00 H new ATOM 431 N GLU A 26 -6.839 1.143 5.132 1.00 1.00 N ATOM 432 CA GLU A 26 -5.900 1.181 6.258 1.00 1.00 C ATOM 433 C GLU A 26 -6.309 0.160 7.342 1.00 1.00 C ATOM 434 O GLU A 26 -7.465 0.111 7.763 1.00 1.00 O ATOM 435 CB GLU A 26 -5.821 2.630 6.838 1.00 1.00 C ATOM 436 CG GLU A 26 -4.485 2.882 7.587 1.00 1.00 C ATOM 437 CD GLU A 26 -4.346 1.935 8.780 1.00 1.00 C ATOM 438 OE1 GLU A 26 -5.330 1.735 9.471 1.00 1.00 O ATOM 439 OE2 GLU A 26 -3.256 1.420 8.984 1.00 1.00 O ATOM 0 H GLU A 26 -6.407 0.894 4.242 1.00 1.00 H new ATOM 0 HA GLU A 26 -4.908 0.902 5.903 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -5.924 3.351 6.028 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -6.656 2.794 7.519 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -3.647 2.740 6.904 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -4.444 3.916 7.930 1.00 1.00 H new ATOM 446 N VAL A 27 -5.357 -0.650 7.794 1.00 1.00 N ATOM 447 CA VAL A 27 -5.618 -1.669 8.831 1.00 1.00 C ATOM 448 C VAL A 27 -4.341 -1.949 9.628 1.00 1.00 C ATOM 449 O VAL A 27 -3.305 -1.311 9.444 1.00 1.00 O ATOM 450 CB VAL A 27 -6.168 -2.986 8.200 1.00 1.00 C ATOM 451 CG1 VAL A 27 -7.581 -2.766 7.573 1.00 1.00 C ATOM 452 CG2 VAL A 27 -5.199 -3.498 7.109 1.00 1.00 C ATOM 0 H VAL A 27 -4.392 -0.628 7.464 1.00 1.00 H new ATOM 0 HA VAL A 27 -6.379 -1.280 9.508 1.00 1.00 H new ATOM 0 HB VAL A 27 -6.252 -3.726 8.996 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -7.937 -3.701 7.142 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -8.275 -2.436 8.346 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -7.519 -2.007 6.793 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -5.592 -4.417 6.675 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -5.098 -2.743 6.329 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -4.223 -3.695 7.553 1.00 1.00 H new ATOM 462 N SER A 28 -4.421 -2.907 10.545 1.00 1.00 N ATOM 463 CA SER A 28 -3.290 -3.293 11.408 1.00 1.00 C ATOM 464 C SER A 28 -2.484 -4.440 10.782 1.00 1.00 C ATOM 465 O SER A 28 -2.865 -5.033 9.775 1.00 1.00 O ATOM 466 CB SER A 28 -3.822 -3.726 12.780 1.00 1.00 C ATOM 467 OG SER A 28 -2.728 -4.061 13.622 1.00 1.00 O ATOM 0 H SER A 28 -5.271 -3.444 10.718 1.00 1.00 H new ATOM 0 HA SER A 28 -2.630 -2.433 11.519 1.00 1.00 H new ATOM 0 HB2 SER A 28 -4.407 -2.922 13.227 1.00 1.00 H new ATOM 0 HB3 SER A 28 -4.488 -4.582 12.671 1.00 1.00 H new ATOM 0 HG SER A 28 -3.064 -4.337 14.500 1.00 1.00 H new ATOM 473 N VAL A 29 -1.347 -4.750 11.396 1.00 1.00 N ATOM 474 CA VAL A 29 -0.458 -5.830 10.915 1.00 1.00 C ATOM 475 C VAL A 29 0.329 -6.401 12.085 1.00 1.00 C ATOM 476 O VAL A 29 0.527 -5.742 13.105 1.00 1.00 O ATOM 477 CB VAL A 29 0.509 -5.269 9.835 1.00 1.00 C ATOM 478 CG1 VAL A 29 1.308 -4.065 10.397 1.00 1.00 C ATOM 479 CG2 VAL A 29 1.486 -6.372 9.325 1.00 1.00 C ATOM 0 H VAL A 29 -1.008 -4.273 12.232 1.00 1.00 H new ATOM 0 HA VAL A 29 -1.056 -6.625 10.471 1.00 1.00 H new ATOM 0 HB VAL A 29 -0.092 -4.932 8.991 1.00 1.00 H new ATOM 0 HG11 VAL A 29 1.980 -3.684 9.628 1.00 1.00 H new ATOM 0 HG12 VAL A 29 0.617 -3.278 10.697 1.00 1.00 H new ATOM 0 HG13 VAL A 29 1.890 -4.386 11.261 1.00 1.00 H new ATOM 0 HG21 VAL A 29 2.150 -5.950 8.571 1.00 1.00 H new ATOM 0 HG22 VAL A 29 2.078 -6.748 10.160 1.00 1.00 H new ATOM 0 HG23 VAL A 29 0.914 -7.191 8.888 1.00 1.00 H new ATOM 489 N THR A 30 0.809 -7.634 11.954 1.00 1.00 N ATOM 490 CA THR A 30 1.600 -8.297 13.014 1.00 1.00 C ATOM 491 C THR A 30 3.009 -8.610 12.497 1.00 1.00 C ATOM 492 O THR A 30 3.173 -9.226 11.444 1.00 1.00 O ATOM 493 CB THR A 30 0.884 -9.609 13.419 1.00 1.00 C ATOM 494 OG1 THR A 30 -0.481 -9.312 13.682 1.00 1.00 O ATOM 495 CG2 THR A 30 1.507 -10.203 14.702 1.00 1.00 C ATOM 0 H THR A 30 0.669 -8.207 11.122 1.00 1.00 H new ATOM 0 HA THR A 30 1.685 -7.639 13.879 1.00 1.00 H new ATOM 0 HB THR A 30 0.986 -10.331 12.609 1.00 1.00 H new ATOM 0 HG1 THR A 30 -0.951 -10.133 13.939 1.00 1.00 H new ATOM 0 HG21 THR A 30 0.987 -11.124 14.966 1.00 1.00 H new ATOM 0 HG22 THR A 30 2.561 -10.418 14.528 1.00 1.00 H new ATOM 0 HG23 THR A 30 1.413 -9.486 15.518 1.00 1.00 H new ATOM 503 N ILE A 31 4.032 -8.217 13.249 1.00 1.00 N ATOM 504 CA ILE A 31 5.452 -8.462 12.889 1.00 1.00 C ATOM 505 C ILE A 31 6.158 -9.199 14.037 1.00 1.00 C ATOM 506 O ILE A 31 5.795 -9.083 15.207 1.00 1.00 O ATOM 507 CB ILE A 31 6.136 -7.102 12.573 1.00 1.00 C ATOM 508 CG1 ILE A 31 5.445 -6.430 11.336 1.00 1.00 C ATOM 509 CG2 ILE A 31 7.646 -7.272 12.288 1.00 1.00 C ATOM 510 CD1 ILE A 31 5.527 -7.271 10.030 1.00 1.00 C ATOM 0 H ILE A 31 3.915 -7.717 14.130 1.00 1.00 H new ATOM 0 HA ILE A 31 5.516 -9.093 12.003 1.00 1.00 H new ATOM 0 HB ILE A 31 6.026 -6.467 13.452 1.00 1.00 H new ATOM 0 HG12 ILE A 31 4.397 -6.248 11.573 1.00 1.00 H new ATOM 0 HG13 ILE A 31 5.906 -5.458 11.159 1.00 1.00 H new ATOM 0 HG21 ILE A 31 8.087 -6.299 12.072 1.00 1.00 H new ATOM 0 HG22 ILE A 31 8.134 -7.706 13.160 1.00 1.00 H new ATOM 0 HG23 ILE A 31 7.783 -7.931 11.431 1.00 1.00 H new ATOM 0 HD11 ILE A 31 5.026 -6.738 9.222 1.00 1.00 H new ATOM 0 HD12 ILE A 31 6.572 -7.432 9.766 1.00 1.00 H new ATOM 0 HD13 ILE A 31 5.040 -8.234 10.186 1.00 1.00 H new ATOM 522 N ARG A 32 7.183 -9.972 13.689 1.00 1.00 N ATOM 523 CA ARG A 32 7.980 -10.752 14.672 1.00 1.00 C ATOM 524 C ARG A 32 9.466 -10.411 14.522 1.00 1.00 C ATOM 525 O ARG A 32 10.094 -10.671 13.496 1.00 1.00 O ATOM 526 CB ARG A 32 7.773 -12.279 14.420 1.00 1.00 C ATOM 527 CG ARG A 32 6.331 -12.747 14.818 1.00 1.00 C ATOM 528 CD ARG A 32 6.198 -12.985 16.339 1.00 1.00 C ATOM 529 NE ARG A 32 4.813 -13.342 16.662 1.00 1.00 N ATOM 530 CZ ARG A 32 4.413 -13.566 17.920 1.00 1.00 C ATOM 531 NH1 ARG A 32 5.262 -13.481 18.911 1.00 1.00 N ATOM 532 NH2 ARG A 32 3.166 -13.863 18.160 1.00 1.00 N ATOM 0 H ARG A 32 7.496 -10.085 12.725 1.00 1.00 H new ATOM 0 HA ARG A 32 7.650 -10.499 15.680 1.00 1.00 H new ATOM 0 HB2 ARG A 32 7.949 -12.500 13.367 1.00 1.00 H new ATOM 0 HB3 ARG A 32 8.509 -12.844 14.992 1.00 1.00 H new ATOM 0 HG2 ARG A 32 5.607 -11.996 14.504 1.00 1.00 H new ATOM 0 HG3 ARG A 32 6.088 -13.666 14.285 1.00 1.00 H new ATOM 0 HD2 ARG A 32 6.872 -13.782 16.653 1.00 1.00 H new ATOM 0 HD3 ARG A 32 6.490 -12.088 16.885 1.00 1.00 H new ATOM 0 HE ARG A 32 4.134 -13.422 15.905 1.00 1.00 H new ATOM 0 HH11 ARG A 32 6.237 -13.243 18.728 1.00 1.00 H new ATOM 0 HH12 ARG A 32 4.949 -13.653 19.867 1.00 1.00 H new ATOM 0 HH21 ARG A 32 2.499 -13.924 17.391 1.00 1.00 H new ATOM 0 HH22 ARG A 32 2.858 -14.034 19.117 1.00 1.00 H new ATOM 546 N ALA A 33 10.033 -9.825 15.571 1.00 1.00 N ATOM 547 CA ALA A 33 11.452 -9.457 15.567 1.00 1.00 C ATOM 548 C ALA A 33 11.898 -9.077 16.988 1.00 1.00 C ATOM 549 O ALA A 33 11.097 -8.994 17.917 1.00 1.00 O ATOM 550 CB ALA A 33 11.720 -8.319 14.512 1.00 1.00 C ATOM 0 H ALA A 33 9.538 -9.594 16.433 1.00 1.00 H new ATOM 0 HA ALA A 33 12.055 -10.312 15.261 1.00 1.00 H new ATOM 0 HB1 ALA A 33 12.778 -8.057 14.521 1.00 1.00 H new ATOM 0 HB2 ALA A 33 11.442 -8.671 13.519 1.00 1.00 H new ATOM 0 HB3 ALA A 33 11.126 -7.441 14.765 1.00 1.00 H new ATOM 556 N TYR A 34 13.196 -8.827 17.136 1.00 1.00 N ATOM 557 CA TYR A 34 13.770 -8.463 18.436 1.00 1.00 C ATOM 558 C TYR A 34 13.284 -7.055 18.878 1.00 1.00 C ATOM 559 O TYR A 34 13.077 -6.206 18.012 1.00 1.00 O ATOM 560 CB TYR A 34 15.309 -8.479 18.316 1.00 1.00 C ATOM 561 CG TYR A 34 15.792 -9.906 18.005 1.00 1.00 C ATOM 562 CD1 TYR A 34 16.105 -10.794 19.055 1.00 1.00 C ATOM 563 CD2 TYR A 34 15.916 -10.342 16.670 1.00 1.00 C ATOM 564 CE1 TYR A 34 16.535 -12.097 18.770 1.00 1.00 C ATOM 565 CE2 TYR A 34 16.349 -11.647 16.394 1.00 1.00 C ATOM 566 CZ TYR A 34 16.656 -12.521 17.443 1.00 1.00 C ATOM 567 OH TYR A 34 17.080 -13.806 17.170 1.00 1.00 O ATOM 0 H TYR A 34 13.873 -8.869 16.374 1.00 1.00 H new ATOM 0 HA TYR A 34 13.445 -9.181 19.189 1.00 1.00 H new ATOM 0 HB2 TYR A 34 15.629 -7.797 17.528 1.00 1.00 H new ATOM 0 HB3 TYR A 34 15.759 -8.127 19.244 1.00 1.00 H new ATOM 0 HD1 TYR A 34 16.013 -10.469 20.081 1.00 1.00 H new ATOM 0 HD2 TYR A 34 15.677 -9.670 15.859 1.00 1.00 H new ATOM 0 HE1 TYR A 34 16.773 -12.775 19.576 1.00 1.00 H new ATOM 0 HE2 TYR A 34 16.446 -11.978 15.371 1.00 1.00 H new ATOM 0 HH TYR A 34 17.109 -13.942 16.200 1.00 1.00 H new ATOM 577 N PRO A 35 13.122 -6.791 20.145 1.00 1.00 N ATOM 578 CA PRO A 35 12.673 -5.429 20.612 1.00 1.00 C ATOM 579 C PRO A 35 13.783 -4.370 20.451 1.00 1.00 C ATOM 580 O PRO A 35 13.503 -3.174 20.362 1.00 1.00 O ATOM 581 CB PRO A 35 12.295 -5.665 22.103 1.00 1.00 C ATOM 582 CG PRO A 35 13.222 -6.770 22.535 1.00 1.00 C ATOM 583 CD PRO A 35 13.321 -7.706 21.307 1.00 1.00 C ATOM 0 HA PRO A 35 11.842 -5.034 20.028 1.00 1.00 H new ATOM 0 HB2 PRO A 35 12.439 -4.765 22.700 1.00 1.00 H new ATOM 0 HB3 PRO A 35 11.250 -5.954 22.210 1.00 1.00 H new ATOM 0 HG2 PRO A 35 14.200 -6.379 22.814 1.00 1.00 H new ATOM 0 HG3 PRO A 35 12.830 -7.298 23.404 1.00 1.00 H new ATOM 0 HD2 PRO A 35 14.289 -8.205 21.262 1.00 1.00 H new ATOM 0 HD3 PRO A 35 12.561 -8.486 21.336 1.00 1.00 H new ATOM 591 N GLU A 36 15.034 -4.817 20.448 1.00 1.00 N ATOM 592 CA GLU A 36 16.189 -3.907 20.321 1.00 1.00 C ATOM 593 C GLU A 36 16.177 -3.178 18.957 1.00 1.00 C ATOM 594 O GLU A 36 16.469 -1.986 18.870 1.00 1.00 O ATOM 595 CB GLU A 36 17.504 -4.731 20.526 1.00 1.00 C ATOM 596 CG GLU A 36 17.879 -5.558 19.258 1.00 1.00 C ATOM 597 CD GLU A 36 18.937 -6.621 19.581 1.00 1.00 C ATOM 598 OE1 GLU A 36 19.801 -6.342 20.395 1.00 1.00 O ATOM 599 OE2 GLU A 36 18.862 -7.698 19.008 1.00 1.00 O ATOM 0 H GLU A 36 15.284 -5.802 20.532 1.00 1.00 H new ATOM 0 HA GLU A 36 16.132 -3.133 21.087 1.00 1.00 H new ATOM 0 HB2 GLU A 36 18.322 -4.054 20.772 1.00 1.00 H new ATOM 0 HB3 GLU A 36 17.382 -5.404 21.375 1.00 1.00 H new ATOM 0 HG2 GLU A 36 16.987 -6.039 18.858 1.00 1.00 H new ATOM 0 HG3 GLU A 36 18.256 -4.890 18.483 1.00 1.00 H new ATOM 606 N ILE A 37 15.835 -3.901 17.895 1.00 1.00 N ATOM 607 CA ILE A 37 15.792 -3.284 16.535 1.00 1.00 C ATOM 608 C ILE A 37 14.442 -2.597 16.312 1.00 1.00 C ATOM 609 O ILE A 37 14.344 -1.586 15.617 1.00 1.00 O ATOM 610 CB ILE A 37 16.079 -4.341 15.411 1.00 1.00 C ATOM 611 CG1 ILE A 37 14.949 -5.425 15.366 1.00 1.00 C ATOM 612 CG2 ILE A 37 17.476 -5.008 15.646 1.00 1.00 C ATOM 613 CD1 ILE A 37 15.303 -6.598 14.422 1.00 1.00 C ATOM 0 H ILE A 37 15.586 -4.890 17.926 1.00 1.00 H new ATOM 0 HA ILE A 37 16.580 -2.534 16.478 1.00 1.00 H new ATOM 0 HB ILE A 37 16.093 -3.830 14.448 1.00 1.00 H new ATOM 0 HG12 ILE A 37 14.776 -5.809 16.371 1.00 1.00 H new ATOM 0 HG13 ILE A 37 14.018 -4.964 15.036 1.00 1.00 H new ATOM 0 HG21 ILE A 37 17.666 -5.740 14.861 1.00 1.00 H new ATOM 0 HG22 ILE A 37 18.252 -4.243 15.625 1.00 1.00 H new ATOM 0 HG23 ILE A 37 17.483 -5.506 16.616 1.00 1.00 H new ATOM 0 HD11 ILE A 37 14.490 -7.324 14.424 1.00 1.00 H new ATOM 0 HD12 ILE A 37 15.450 -6.219 13.410 1.00 1.00 H new ATOM 0 HD13 ILE A 37 16.219 -7.078 14.766 1.00 1.00 H new ATOM 625 N LEU A 38 13.391 -3.161 16.899 1.00 1.00 N ATOM 626 CA LEU A 38 12.029 -2.569 16.750 1.00 1.00 C ATOM 627 C LEU A 38 11.932 -1.262 17.552 1.00 1.00 C ATOM 628 O LEU A 38 11.238 -0.326 17.156 1.00 1.00 O ATOM 629 CB LEU A 38 10.928 -3.567 17.204 1.00 1.00 C ATOM 630 CG LEU A 38 10.765 -4.781 16.212 1.00 1.00 C ATOM 631 CD1 LEU A 38 9.996 -5.933 16.909 1.00 1.00 C ATOM 632 CD2 LEU A 38 9.976 -4.362 14.928 1.00 1.00 C ATOM 0 H LEU A 38 13.433 -4.004 17.471 1.00 1.00 H new ATOM 0 HA LEU A 38 11.866 -2.352 15.694 1.00 1.00 H new ATOM 0 HB2 LEU A 38 11.172 -3.944 18.197 1.00 1.00 H new ATOM 0 HB3 LEU A 38 9.977 -3.040 17.287 1.00 1.00 H new ATOM 0 HG LEU A 38 11.764 -5.110 15.925 1.00 1.00 H new ATOM 0 HD11 LEU A 38 9.887 -6.768 16.217 1.00 1.00 H new ATOM 0 HD12 LEU A 38 10.550 -6.260 17.789 1.00 1.00 H new ATOM 0 HD13 LEU A 38 9.010 -5.581 17.211 1.00 1.00 H new ATOM 0 HD21 LEU A 38 9.880 -5.221 14.264 1.00 1.00 H new ATOM 0 HD22 LEU A 38 8.984 -4.008 15.210 1.00 1.00 H new ATOM 0 HD23 LEU A 38 10.513 -3.564 14.415 1.00 1.00 H new ATOM 644 N ASN A 39 12.629 -1.206 18.683 1.00 1.00 N ATOM 645 CA ASN A 39 12.619 -0.010 19.550 1.00 1.00 C ATOM 646 C ASN A 39 13.507 1.080 18.946 1.00 1.00 C ATOM 647 O ASN A 39 13.467 2.239 19.360 1.00 1.00 O ATOM 648 CB ASN A 39 13.120 -0.393 20.963 1.00 1.00 C ATOM 649 CG ASN A 39 13.096 0.814 21.908 1.00 1.00 C ATOM 650 OD1 ASN A 39 14.064 1.571 21.976 1.00 1.00 O ATOM 651 ND2 ASN A 39 12.040 1.035 22.643 1.00 1.00 N ATOM 0 H ASN A 39 13.211 -1.969 19.029 1.00 1.00 H new ATOM 0 HA ASN A 39 11.602 0.375 19.626 1.00 1.00 H new ATOM 0 HB2 ASN A 39 12.495 -1.188 21.370 1.00 1.00 H new ATOM 0 HB3 ASN A 39 14.134 -0.786 20.897 1.00 1.00 H new ATOM 0 HD21 ASN A 39 12.017 1.836 23.274 1.00 1.00 H new ATOM 0 HD22 ASN A 39 11.238 0.407 22.586 1.00 1.00 H new ATOM 658 N ASN A 40 14.317 0.704 17.962 1.00 1.00 N ATOM 659 CA ASN A 40 15.233 1.635 17.275 1.00 1.00 C ATOM 660 C ASN A 40 14.693 1.982 15.881 1.00 1.00 C ATOM 661 O ASN A 40 14.899 3.098 15.404 1.00 1.00 O ATOM 662 CB ASN A 40 16.636 0.974 17.157 1.00 1.00 C ATOM 663 CG ASN A 40 17.372 0.966 18.507 1.00 1.00 C ATOM 664 OD1 ASN A 40 18.004 -0.027 18.864 1.00 1.00 O ATOM 665 ND2 ASN A 40 17.346 2.029 19.266 1.00 1.00 N ATOM 0 H ASN A 40 14.364 -0.253 17.611 1.00 1.00 H new ATOM 0 HA ASN A 40 15.311 2.557 17.851 1.00 1.00 H new ATOM 0 HB2 ASN A 40 16.528 -0.048 16.794 1.00 1.00 H new ATOM 0 HB3 ASN A 40 17.232 1.512 16.420 1.00 1.00 H new ATOM 0 HD21 ASN A 40 17.849 2.035 20.153 1.00 1.00 H new ATOM 0 HD22 ASN A 40 16.822 2.853 18.971 1.00 1.00 H new ATOM 672 N LEU A 41 14.023 1.039 15.226 1.00 1.00 N ATOM 673 CA LEU A 41 13.477 1.255 13.880 1.00 1.00 C ATOM 674 C LEU A 41 12.426 2.360 13.921 1.00 1.00 C ATOM 675 O LEU A 41 11.654 2.490 14.869 1.00 1.00 O ATOM 676 CB LEU A 41 12.841 -0.079 13.295 1.00 1.00 C ATOM 677 CG LEU A 41 13.507 -0.515 11.944 1.00 1.00 C ATOM 678 CD1 LEU A 41 13.038 -1.928 11.554 1.00 1.00 C ATOM 679 CD2 LEU A 41 13.163 0.497 10.817 1.00 1.00 C ATOM 0 H LEU A 41 13.841 0.109 15.605 1.00 1.00 H new ATOM 0 HA LEU A 41 14.295 1.554 13.224 1.00 1.00 H new ATOM 0 HB2 LEU A 41 12.949 -0.881 14.026 1.00 1.00 H new ATOM 0 HB3 LEU A 41 11.772 0.069 13.139 1.00 1.00 H new ATOM 0 HG LEU A 41 14.589 -0.528 12.078 1.00 1.00 H new ATOM 0 HD11 LEU A 41 13.507 -2.221 10.614 1.00 1.00 H new ATOM 0 HD12 LEU A 41 13.320 -2.634 12.335 1.00 1.00 H new ATOM 0 HD13 LEU A 41 11.954 -1.932 11.436 1.00 1.00 H new ATOM 0 HD21 LEU A 41 13.633 0.179 9.886 1.00 1.00 H new ATOM 0 HD22 LEU A 41 12.082 0.538 10.682 1.00 1.00 H new ATOM 0 HD23 LEU A 41 13.532 1.486 11.091 1.00 1.00 H new ATOM 691 N THR A 42 12.395 3.177 12.874 1.00 1.00 N ATOM 692 CA THR A 42 11.427 4.278 12.763 1.00 1.00 C ATOM 693 C THR A 42 10.559 4.067 11.524 1.00 1.00 C ATOM 694 O THR A 42 10.984 3.518 10.506 1.00 1.00 O ATOM 695 CB THR A 42 12.159 5.633 12.672 1.00 1.00 C ATOM 696 OG1 THR A 42 11.218 6.645 12.347 1.00 1.00 O ATOM 697 CG2 THR A 42 13.251 5.587 11.593 1.00 1.00 C ATOM 0 H THR A 42 13.032 3.102 12.081 1.00 1.00 H new ATOM 0 HA THR A 42 10.796 4.288 13.652 1.00 1.00 H new ATOM 0 HB THR A 42 12.628 5.848 13.632 1.00 1.00 H new ATOM 0 HG1 THR A 42 11.675 7.510 12.289 1.00 1.00 H new ATOM 0 HG21 THR A 42 13.755 6.552 11.544 1.00 1.00 H new ATOM 0 HG22 THR A 42 13.975 4.811 11.841 1.00 1.00 H new ATOM 0 HG23 THR A 42 12.798 5.365 10.627 1.00 1.00 H new ATOM 705 N LYS A 43 9.312 4.517 11.619 1.00 1.00 N ATOM 706 CA LYS A 43 8.357 4.373 10.520 1.00 1.00 C ATOM 707 C LYS A 43 8.895 4.989 9.220 1.00 1.00 C ATOM 708 O LYS A 43 8.653 4.471 8.130 1.00 1.00 O ATOM 709 CB LYS A 43 7.025 5.023 10.938 1.00 1.00 C ATOM 710 CG LYS A 43 7.234 6.526 11.268 1.00 1.00 C ATOM 711 CD LYS A 43 5.926 7.129 11.814 1.00 1.00 C ATOM 712 CE LYS A 43 6.128 8.616 12.161 1.00 1.00 C ATOM 713 NZ LYS A 43 6.572 9.352 10.945 1.00 1.00 N ATOM 0 H LYS A 43 8.937 4.985 12.444 1.00 1.00 H new ATOM 0 HA LYS A 43 8.198 3.314 10.318 1.00 1.00 H new ATOM 0 HB2 LYS A 43 6.295 4.919 10.135 1.00 1.00 H new ATOM 0 HB3 LYS A 43 6.619 4.507 11.808 1.00 1.00 H new ATOM 0 HG2 LYS A 43 8.031 6.639 12.003 1.00 1.00 H new ATOM 0 HG3 LYS A 43 7.547 7.064 10.373 1.00 1.00 H new ATOM 0 HD2 LYS A 43 5.133 7.026 11.074 1.00 1.00 H new ATOM 0 HD3 LYS A 43 5.607 6.581 12.701 1.00 1.00 H new ATOM 0 HE2 LYS A 43 5.198 9.042 12.538 1.00 1.00 H new ATOM 0 HE3 LYS A 43 6.870 8.718 12.953 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 6.403 10.370 11.074 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 7.587 9.187 10.791 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 6.037 9.014 10.120 1.00 1.00 H new ATOM 727 N GLU A 44 9.628 6.092 9.330 1.00 1.00 N ATOM 728 CA GLU A 44 10.200 6.778 8.168 1.00 1.00 C ATOM 729 C GLU A 44 11.146 5.856 7.388 1.00 1.00 C ATOM 730 O GLU A 44 11.421 6.081 6.208 1.00 1.00 O ATOM 731 CB GLU A 44 10.973 8.030 8.639 1.00 1.00 C ATOM 732 CG GLU A 44 10.019 8.999 9.372 1.00 1.00 C ATOM 733 CD GLU A 44 10.764 10.251 9.860 1.00 1.00 C ATOM 734 OE1 GLU A 44 11.935 10.402 9.537 1.00 1.00 O ATOM 735 OE2 GLU A 44 10.145 11.046 10.546 1.00 1.00 O ATOM 0 H GLU A 44 9.844 6.537 10.222 1.00 1.00 H new ATOM 0 HA GLU A 44 9.384 7.068 7.506 1.00 1.00 H new ATOM 0 HB2 GLU A 44 11.786 7.736 9.303 1.00 1.00 H new ATOM 0 HB3 GLU A 44 11.425 8.531 7.783 1.00 1.00 H new ATOM 0 HG2 GLU A 44 9.210 9.292 8.703 1.00 1.00 H new ATOM 0 HG3 GLU A 44 9.562 8.491 10.221 1.00 1.00 H new ATOM 742 N GLN A 45 11.642 4.807 8.036 1.00 1.00 N ATOM 743 CA GLN A 45 12.568 3.853 7.392 1.00 1.00 C ATOM 744 C GLN A 45 11.803 2.800 6.593 1.00 1.00 C ATOM 745 O GLN A 45 12.222 2.424 5.498 1.00 1.00 O ATOM 746 CB GLN A 45 13.448 3.169 8.462 1.00 1.00 C ATOM 747 CG GLN A 45 14.535 2.263 7.816 1.00 1.00 C ATOM 748 CD GLN A 45 15.472 1.686 8.879 1.00 1.00 C ATOM 749 OE1 GLN A 45 15.691 0.474 8.926 1.00 1.00 O ATOM 750 NE2 GLN A 45 16.032 2.488 9.746 1.00 1.00 N ATOM 0 H GLN A 45 11.424 4.587 9.008 1.00 1.00 H new ATOM 0 HA GLN A 45 13.204 4.407 6.702 1.00 1.00 H new ATOM 0 HB2 GLN A 45 13.927 3.929 9.080 1.00 1.00 H new ATOM 0 HB3 GLN A 45 12.820 2.571 9.122 1.00 1.00 H new ATOM 0 HG2 GLN A 45 14.057 1.451 7.268 1.00 1.00 H new ATOM 0 HG3 GLN A 45 15.111 2.840 7.093 1.00 1.00 H new ATOM 0 HE21 GLN A 45 15.849 3.491 9.705 1.00 1.00 H new ATOM 0 HE22 GLN A 45 16.652 2.111 10.463 1.00 1.00 H new ATOM 759 N ILE A 46 10.684 2.324 7.128 1.00 1.00 N ATOM 760 CA ILE A 46 9.880 1.293 6.460 1.00 1.00 C ATOM 761 C ILE A 46 9.354 1.806 5.119 1.00 1.00 C ATOM 762 O ILE A 46 8.766 2.885 5.034 1.00 1.00 O ATOM 763 CB ILE A 46 8.684 0.865 7.370 1.00 1.00 C ATOM 764 CG1 ILE A 46 9.172 0.600 8.829 1.00 1.00 C ATOM 765 CG2 ILE A 46 7.998 -0.405 6.802 1.00 1.00 C ATOM 766 CD1 ILE A 46 10.318 -0.426 8.896 1.00 1.00 C ATOM 0 H ILE A 46 10.308 2.633 8.024 1.00 1.00 H new ATOM 0 HA ILE A 46 10.517 0.427 6.278 1.00 1.00 H new ATOM 0 HB ILE A 46 7.960 1.679 7.386 1.00 1.00 H new ATOM 0 HG12 ILE A 46 9.504 1.539 9.273 1.00 1.00 H new ATOM 0 HG13 ILE A 46 8.335 0.243 9.428 1.00 1.00 H new ATOM 0 HG21 ILE A 46 7.167 -0.689 7.448 1.00 1.00 H new ATOM 0 HG22 ILE A 46 7.624 -0.199 5.799 1.00 1.00 H new ATOM 0 HG23 ILE A 46 8.720 -1.220 6.759 1.00 1.00 H new ATOM 0 HD11 ILE A 46 10.617 -0.571 9.934 1.00 1.00 H new ATOM 0 HD12 ILE A 46 9.981 -1.375 8.480 1.00 1.00 H new ATOM 0 HD13 ILE A 46 11.169 -0.059 8.322 1.00 1.00 H new ATOM 778 N SER A 47 9.561 1.030 4.061 1.00 1.00 N ATOM 779 CA SER A 47 9.106 1.397 2.711 1.00 1.00 C ATOM 780 C SER A 47 7.785 0.682 2.406 1.00 1.00 C ATOM 781 O SER A 47 7.706 -0.544 2.357 1.00 1.00 O ATOM 782 CB SER A 47 10.183 1.020 1.678 1.00 1.00 C ATOM 783 OG SER A 47 9.979 1.780 0.494 1.00 1.00 O ATOM 0 H SER A 47 10.045 0.133 4.106 1.00 1.00 H new ATOM 0 HA SER A 47 8.941 2.473 2.658 1.00 1.00 H new ATOM 0 HB2 SER A 47 11.176 1.214 2.083 1.00 1.00 H new ATOM 0 HB3 SER A 47 10.133 -0.046 1.454 1.00 1.00 H new ATOM 0 HG SER A 47 9.228 1.404 -0.011 1.00 1.00 H new ATOM 789 N LEU A 48 6.739 1.473 2.193 1.00 1.00 N ATOM 790 CA LEU A 48 5.392 0.935 1.897 1.00 1.00 C ATOM 791 C LEU A 48 4.750 1.702 0.749 1.00 1.00 C ATOM 792 O LEU A 48 4.521 2.909 0.841 1.00 1.00 O ATOM 793 CB LEU A 48 4.508 1.051 3.192 1.00 1.00 C ATOM 794 CG LEU A 48 4.757 -0.167 4.170 1.00 1.00 C ATOM 795 CD1 LEU A 48 4.333 0.196 5.610 1.00 1.00 C ATOM 796 CD2 LEU A 48 3.980 -1.445 3.695 1.00 1.00 C ATOM 0 H LEU A 48 6.786 2.492 2.217 1.00 1.00 H new ATOM 0 HA LEU A 48 5.474 -0.110 1.598 1.00 1.00 H new ATOM 0 HB2 LEU A 48 4.734 1.985 3.706 1.00 1.00 H new ATOM 0 HB3 LEU A 48 3.455 1.087 2.914 1.00 1.00 H new ATOM 0 HG LEU A 48 5.825 -0.387 4.157 1.00 1.00 H new ATOM 0 HD11 LEU A 48 4.512 -0.655 6.267 1.00 1.00 H new ATOM 0 HD12 LEU A 48 4.914 1.051 5.956 1.00 1.00 H new ATOM 0 HD13 LEU A 48 3.273 0.449 5.624 1.00 1.00 H new ATOM 0 HD21 LEU A 48 4.171 -2.265 4.387 1.00 1.00 H new ATOM 0 HD22 LEU A 48 2.911 -1.233 3.670 1.00 1.00 H new ATOM 0 HD23 LEU A 48 4.317 -1.726 2.697 1.00 1.00 H new ATOM 808 N TRP A 49 4.421 0.994 -0.325 1.00 1.00 N ATOM 809 CA TRP A 49 3.775 1.591 -1.481 1.00 1.00 C ATOM 810 C TRP A 49 3.106 0.501 -2.309 1.00 1.00 C ATOM 811 O TRP A 49 3.110 -0.674 -1.943 1.00 1.00 O ATOM 812 CB TRP A 49 4.806 2.407 -2.314 1.00 1.00 C ATOM 813 CG TRP A 49 5.619 1.500 -3.212 1.00 1.00 C ATOM 814 CD1 TRP A 49 5.287 1.172 -4.481 1.00 1.00 C ATOM 815 CD2 TRP A 49 6.845 0.777 -2.917 1.00 1.00 C ATOM 816 NE1 TRP A 49 6.245 0.330 -4.998 1.00 1.00 N ATOM 817 CE2 TRP A 49 7.225 0.049 -4.072 1.00 1.00 C ATOM 818 CE3 TRP A 49 7.663 0.691 -1.780 1.00 1.00 C ATOM 819 CZ2 TRP A 49 8.374 -0.736 -4.095 1.00 1.00 C ATOM 820 CZ3 TRP A 49 8.821 -0.105 -1.800 1.00 1.00 C ATOM 821 CH2 TRP A 49 9.177 -0.816 -2.955 1.00 1.00 C ATOM 0 H TRP A 49 4.595 -0.007 -0.416 1.00 1.00 H new ATOM 0 HA TRP A 49 3.003 2.287 -1.154 1.00 1.00 H new ATOM 0 HB2 TRP A 49 4.284 3.150 -2.918 1.00 1.00 H new ATOM 0 HB3 TRP A 49 5.471 2.951 -1.643 1.00 1.00 H new ATOM 0 HD1 TRP A 49 4.408 1.517 -5.006 1.00 1.00 H new ATOM 0 HE1 TRP A 49 6.231 -0.040 -5.948 1.00 1.00 H new ATOM 0 HE3 TRP A 49 7.402 1.238 -0.886 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 8.643 -1.280 -4.989 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 9.442 -0.170 -0.919 1.00 1.00 H new ATOM 0 HH2 TRP A 49 10.070 -1.424 -2.963 1.00 1.00 H new ATOM 832 N ILE A 50 2.527 0.890 -3.440 1.00 1.00 N ATOM 833 CA ILE A 50 1.840 -0.066 -4.335 1.00 1.00 C ATOM 834 C ILE A 50 2.030 0.374 -5.791 1.00 1.00 C ATOM 835 O ILE A 50 2.170 1.557 -6.102 1.00 1.00 O ATOM 836 CB ILE A 50 0.306 -0.138 -4.004 1.00 1.00 C ATOM 837 CG1 ILE A 50 0.104 -0.373 -2.475 1.00 1.00 C ATOM 838 CG2 ILE A 50 -0.356 -1.294 -4.816 1.00 1.00 C ATOM 839 CD1 ILE A 50 -1.378 -0.369 -2.095 1.00 1.00 C ATOM 0 H ILE A 50 2.514 1.856 -3.768 1.00 1.00 H new ATOM 0 HA ILE A 50 2.272 -1.055 -4.186 1.00 1.00 H new ATOM 0 HB ILE A 50 -0.165 0.805 -4.281 1.00 1.00 H new ATOM 0 HG12 ILE A 50 0.550 -1.326 -2.191 1.00 1.00 H new ATOM 0 HG13 ILE A 50 0.626 0.403 -1.915 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -1.420 -1.340 -4.583 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -0.226 -1.110 -5.883 1.00 1.00 H new ATOM 0 HG23 ILE A 50 0.115 -2.241 -4.551 1.00 1.00 H new ATOM 0 HD11 ILE A 50 -1.479 -0.536 -1.023 1.00 1.00 H new ATOM 0 HD12 ILE A 50 -1.818 0.594 -2.356 1.00 1.00 H new ATOM 0 HD13 ILE A 50 -1.894 -1.162 -2.636 1.00 1.00 H new ATOM 851 N ASP A 51 2.011 -0.603 -6.693 1.00 1.00 N ATOM 852 CA ASP A 51 2.169 -0.350 -8.140 1.00 1.00 C ATOM 853 C ASP A 51 0.807 -0.397 -8.841 1.00 1.00 C ATOM 854 O ASP A 51 0.225 -1.466 -9.025 1.00 1.00 O ATOM 855 CB ASP A 51 3.105 -1.422 -8.733 1.00 1.00 C ATOM 856 CG ASP A 51 4.504 -1.301 -8.118 1.00 1.00 C ATOM 857 OD1 ASP A 51 4.585 -1.017 -6.933 1.00 1.00 O ATOM 858 OD2 ASP A 51 5.468 -1.489 -8.841 1.00 1.00 O ATOM 0 H ASP A 51 1.887 -1.587 -6.455 1.00 1.00 H new ATOM 0 HA ASP A 51 2.598 0.641 -8.292 1.00 1.00 H new ATOM 0 HB2 ASP A 51 2.700 -2.416 -8.541 1.00 1.00 H new ATOM 0 HB3 ASP A 51 3.164 -1.306 -9.815 1.00 1.00 H new ATOM 863 N ALA A 52 0.313 0.768 -9.250 1.00 1.00 N ATOM 864 CA ALA A 52 -0.984 0.862 -9.946 1.00 1.00 C ATOM 865 C ALA A 52 -0.787 0.735 -11.456 1.00 1.00 C ATOM 866 O ALA A 52 -1.748 0.802 -12.225 1.00 1.00 O ATOM 867 CB ALA A 52 -1.662 2.193 -9.585 1.00 1.00 C ATOM 0 H ALA A 52 0.783 1.663 -9.116 1.00 1.00 H new ATOM 0 HA ALA A 52 -1.629 0.044 -9.626 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -2.621 2.264 -10.099 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -1.823 2.239 -8.508 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -1.024 3.022 -9.892 1.00 1.00 H new ATOM 873 N THR A 53 0.451 0.527 -11.889 1.00 1.00 N ATOM 874 CA THR A 53 0.752 0.364 -13.318 1.00 1.00 C ATOM 875 C THR A 53 0.248 -0.999 -13.768 1.00 1.00 C ATOM 876 O THR A 53 0.025 -1.898 -12.958 1.00 1.00 O ATOM 877 CB THR A 53 2.284 0.481 -13.601 1.00 1.00 C ATOM 878 OG1 THR A 53 2.599 -0.172 -14.827 1.00 1.00 O ATOM 879 CG2 THR A 53 3.109 -0.164 -12.467 1.00 1.00 C ATOM 0 H THR A 53 1.265 0.466 -11.278 1.00 1.00 H new ATOM 0 HA THR A 53 0.254 1.159 -13.873 1.00 1.00 H new ATOM 0 HB THR A 53 2.534 1.540 -13.662 1.00 1.00 H new ATOM 0 HG1 THR A 53 3.560 -0.095 -15.001 1.00 1.00 H new ATOM 0 HG21 THR A 53 4.172 -0.068 -12.690 1.00 1.00 H new ATOM 0 HG22 THR A 53 2.889 0.339 -11.525 1.00 1.00 H new ATOM 0 HG23 THR A 53 2.850 -1.219 -12.383 1.00 1.00 H new ATOM 887 N GLY A 54 0.086 -1.158 -15.076 1.00 1.00 N ATOM 888 CA GLY A 54 -0.423 -2.423 -15.642 1.00 1.00 C ATOM 889 C GLY A 54 -1.882 -2.712 -15.188 1.00 1.00 C ATOM 890 O GLY A 54 -2.680 -3.264 -15.946 1.00 1.00 O ATOM 0 H GLY A 54 0.295 -0.439 -15.769 1.00 1.00 H new ATOM 0 HA2 GLY A 54 -0.383 -2.376 -16.730 1.00 1.00 H new ATOM 0 HA3 GLY A 54 0.223 -3.245 -15.334 1.00 1.00 H new ATOM 894 N LYS A 55 -2.206 -2.335 -13.956 1.00 1.00 N ATOM 895 CA LYS A 55 -3.551 -2.568 -13.404 1.00 1.00 C ATOM 896 C LYS A 55 -4.604 -1.811 -14.240 1.00 1.00 C ATOM 897 O LYS A 55 -4.394 -0.689 -14.698 1.00 1.00 O ATOM 898 CB LYS A 55 -3.617 -2.112 -11.899 1.00 1.00 C ATOM 899 CG LYS A 55 -3.148 -3.230 -10.917 1.00 1.00 C ATOM 900 CD LYS A 55 -1.642 -3.526 -11.096 1.00 1.00 C ATOM 901 CE LYS A 55 -1.202 -4.633 -10.115 1.00 1.00 C ATOM 902 NZ LYS A 55 0.242 -4.938 -10.321 1.00 1.00 N ATOM 0 H LYS A 55 -1.563 -1.868 -13.316 1.00 1.00 H new ATOM 0 HA LYS A 55 -3.766 -3.636 -13.449 1.00 1.00 H new ATOM 0 HB2 LYS A 55 -2.994 -1.228 -11.763 1.00 1.00 H new ATOM 0 HB3 LYS A 55 -4.639 -1.823 -11.654 1.00 1.00 H new ATOM 0 HG2 LYS A 55 -3.342 -2.922 -9.890 1.00 1.00 H new ATOM 0 HG3 LYS A 55 -3.724 -4.138 -11.092 1.00 1.00 H new ATOM 0 HD2 LYS A 55 -1.443 -3.837 -12.122 1.00 1.00 H new ATOM 0 HD3 LYS A 55 -1.061 -2.620 -10.920 1.00 1.00 H new ATOM 0 HE2 LYS A 55 -1.373 -4.312 -9.088 1.00 1.00 H new ATOM 0 HE3 LYS A 55 -1.800 -5.531 -10.272 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 0.537 -5.684 -9.659 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 0.392 -5.262 -11.298 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 0.806 -4.081 -10.150 1.00 1.00 H new ATOM 916 N ALA A 56 -5.751 -2.460 -14.426 1.00 1.00 N ATOM 917 CA ALA A 56 -6.875 -1.892 -15.194 1.00 1.00 C ATOM 918 C ALA A 56 -7.952 -1.393 -14.244 1.00 1.00 C ATOM 919 O ALA A 56 -7.923 -1.655 -13.040 1.00 1.00 O ATOM 920 CB ALA A 56 -7.453 -2.981 -16.120 1.00 1.00 C ATOM 0 H ALA A 56 -5.935 -3.391 -14.053 1.00 1.00 H new ATOM 0 HA ALA A 56 -6.522 -1.053 -15.793 1.00 1.00 H new ATOM 0 HB1 ALA A 56 -8.285 -2.569 -16.691 1.00 1.00 H new ATOM 0 HB2 ALA A 56 -6.678 -3.326 -16.805 1.00 1.00 H new ATOM 0 HB3 ALA A 56 -7.806 -3.820 -15.520 1.00 1.00 H new ATOM 926 N VAL A 57 -8.917 -0.659 -14.789 1.00 1.00 N ATOM 927 CA VAL A 57 -10.023 -0.108 -14.021 1.00 1.00 C ATOM 928 C VAL A 57 -10.815 -1.242 -13.354 1.00 1.00 C ATOM 929 O VAL A 57 -11.023 -2.307 -13.934 1.00 1.00 O ATOM 930 CB VAL A 57 -10.962 0.707 -14.967 1.00 1.00 C ATOM 931 CG1 VAL A 57 -12.005 1.494 -14.140 1.00 1.00 C ATOM 932 CG2 VAL A 57 -10.130 1.700 -15.814 1.00 1.00 C ATOM 0 H VAL A 57 -8.952 -0.430 -15.782 1.00 1.00 H new ATOM 0 HA VAL A 57 -9.628 0.551 -13.248 1.00 1.00 H new ATOM 0 HB VAL A 57 -11.478 0.008 -15.626 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -12.652 2.057 -14.812 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -12.606 0.798 -13.556 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -11.492 2.183 -13.468 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -10.793 2.263 -16.470 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -9.602 2.388 -15.154 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -9.407 1.149 -16.415 1.00 1.00 H new ATOM 942 N GLY A 58 -11.265 -1.006 -12.126 1.00 1.00 N ATOM 943 CA GLY A 58 -12.049 -1.987 -11.347 1.00 1.00 C ATOM 944 C GLY A 58 -11.361 -2.286 -10.029 1.00 1.00 C ATOM 945 O GLY A 58 -10.272 -1.783 -9.751 1.00 1.00 O ATOM 0 H GLY A 58 -11.101 -0.129 -11.632 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -13.050 -1.597 -11.162 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -12.166 -2.907 -11.920 1.00 1.00 H new ATOM 949 N GLU A 59 -12.007 -3.108 -9.208 1.00 1.00 N ATOM 950 CA GLU A 59 -11.470 -3.485 -7.879 1.00 1.00 C ATOM 951 C GLU A 59 -10.827 -4.885 -7.894 1.00 1.00 C ATOM 952 O GLU A 59 -11.425 -5.865 -8.336 1.00 1.00 O ATOM 953 CB GLU A 59 -12.607 -3.411 -6.818 1.00 1.00 C ATOM 954 CG GLU A 59 -13.818 -4.277 -7.240 1.00 1.00 C ATOM 955 CD GLU A 59 -14.944 -4.155 -6.210 1.00 1.00 C ATOM 956 OE1 GLU A 59 -15.137 -3.064 -5.700 1.00 1.00 O ATOM 957 OE2 GLU A 59 -15.593 -5.155 -5.946 1.00 1.00 O ATOM 0 H GLU A 59 -12.907 -3.534 -9.429 1.00 1.00 H new ATOM 0 HA GLU A 59 -10.683 -2.778 -7.617 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -12.231 -3.751 -5.853 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -12.923 -2.376 -6.690 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -14.176 -3.960 -8.220 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -13.513 -5.319 -7.334 1.00 1.00 H new ATOM 964 N HIS A 60 -9.602 -4.950 -7.382 1.00 1.00 N ATOM 965 CA HIS A 60 -8.842 -6.207 -7.318 1.00 1.00 C ATOM 966 C HIS A 60 -7.944 -6.215 -6.075 1.00 1.00 C ATOM 967 O HIS A 60 -7.532 -5.177 -5.555 1.00 1.00 O ATOM 968 CB HIS A 60 -7.991 -6.414 -8.642 1.00 1.00 C ATOM 969 CG HIS A 60 -8.022 -5.165 -9.493 1.00 1.00 C ATOM 970 ND1 HIS A 60 -8.892 -5.028 -10.561 1.00 1.00 N ATOM 971 CD2 HIS A 60 -7.332 -3.981 -9.416 1.00 1.00 C ATOM 972 CE1 HIS A 60 -8.714 -3.797 -11.075 1.00 1.00 C ATOM 973 NE2 HIS A 60 -7.772 -3.118 -10.414 1.00 1.00 N ATOM 0 H HIS A 60 -9.106 -4.144 -7.001 1.00 1.00 H new ATOM 0 HA HIS A 60 -9.542 -7.039 -7.241 1.00 1.00 H new ATOM 0 HB2 HIS A 60 -6.961 -6.660 -8.384 1.00 1.00 H new ATOM 0 HB3 HIS A 60 -8.388 -7.257 -9.208 1.00 1.00 H new ATOM 0 HD2 HIS A 60 -6.564 -3.754 -8.691 1.00 1.00 H new ATOM 0 HE1 HIS A 60 -9.265 -3.406 -11.918 1.00 1.00 H new ATOM 0 HE2 HIS A 60 -7.446 -2.170 -10.601 1.00 1.00 H new ATOM 982 N THR A 61 -7.615 -7.417 -5.613 1.00 1.00 N ATOM 983 CA THR A 61 -6.736 -7.610 -4.452 1.00 1.00 C ATOM 984 C THR A 61 -5.277 -7.602 -4.927 1.00 1.00 C ATOM 985 O THR A 61 -4.957 -8.164 -5.974 1.00 1.00 O ATOM 986 CB THR A 61 -7.069 -8.951 -3.757 1.00 1.00 C ATOM 987 OG1 THR A 61 -8.452 -8.971 -3.437 1.00 1.00 O ATOM 988 CG2 THR A 61 -6.259 -9.107 -2.456 1.00 1.00 C ATOM 0 H THR A 61 -7.947 -8.287 -6.028 1.00 1.00 H new ATOM 0 HA THR A 61 -6.887 -6.804 -3.734 1.00 1.00 H new ATOM 0 HB THR A 61 -6.816 -9.768 -4.432 1.00 1.00 H new ATOM 0 HG1 THR A 61 -8.674 -9.818 -2.997 1.00 1.00 H new ATOM 0 HG21 THR A 61 -6.509 -10.057 -1.984 1.00 1.00 H new ATOM 0 HG22 THR A 61 -5.194 -9.085 -2.686 1.00 1.00 H new ATOM 0 HG23 THR A 61 -6.501 -8.289 -1.777 1.00 1.00 H new ATOM 996 N VAL A 62 -4.391 -6.967 -4.166 1.00 1.00 N ATOM 997 CA VAL A 62 -2.953 -6.890 -4.549 1.00 1.00 C ATOM 998 C VAL A 62 -2.049 -7.026 -3.324 1.00 1.00 C ATOM 999 O VAL A 62 -2.422 -6.686 -2.202 1.00 1.00 O ATOM 1000 CB VAL A 62 -2.658 -5.544 -5.286 1.00 1.00 C ATOM 1001 CG1 VAL A 62 -3.474 -5.461 -6.601 1.00 1.00 C ATOM 1002 CG2 VAL A 62 -3.011 -4.337 -4.379 1.00 1.00 C ATOM 0 H VAL A 62 -4.622 -6.499 -3.290 1.00 1.00 H new ATOM 0 HA VAL A 62 -2.740 -7.719 -5.224 1.00 1.00 H new ATOM 0 HB VAL A 62 -1.594 -5.511 -5.521 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -3.259 -4.518 -7.104 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -3.200 -6.291 -7.252 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -4.538 -5.516 -6.373 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -2.799 -3.409 -4.910 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -4.069 -4.373 -4.120 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -2.413 -4.379 -3.468 1.00 1.00 H new ATOM 1012 N LYS A 63 -0.840 -7.525 -3.554 1.00 1.00 N ATOM 1013 CA LYS A 63 0.154 -7.714 -2.485 1.00 1.00 C ATOM 1014 C LYS A 63 1.148 -6.542 -2.456 1.00 1.00 C ATOM 1015 O LYS A 63 1.528 -5.957 -3.470 1.00 1.00 O ATOM 1016 CB LYS A 63 0.889 -9.065 -2.675 1.00 1.00 C ATOM 1017 CG LYS A 63 1.642 -9.123 -4.025 1.00 1.00 C ATOM 1018 CD LYS A 63 2.293 -10.520 -4.201 1.00 1.00 C ATOM 1019 CE LYS A 63 3.031 -10.600 -5.547 1.00 1.00 C ATOM 1020 NZ LYS A 63 4.113 -9.575 -5.572 1.00 1.00 N ATOM 0 H LYS A 63 -0.515 -7.811 -4.478 1.00 1.00 H new ATOM 0 HA LYS A 63 -0.362 -7.736 -1.525 1.00 1.00 H new ATOM 0 HB2 LYS A 63 1.595 -9.213 -1.858 1.00 1.00 H new ATOM 0 HB3 LYS A 63 0.168 -9.881 -2.625 1.00 1.00 H new ATOM 0 HG2 LYS A 63 0.952 -8.927 -4.846 1.00 1.00 H new ATOM 0 HG3 LYS A 63 2.407 -8.348 -4.059 1.00 1.00 H new ATOM 0 HD2 LYS A 63 2.990 -10.709 -3.385 1.00 1.00 H new ATOM 0 HD3 LYS A 63 1.527 -11.294 -4.152 1.00 1.00 H new ATOM 0 HE2 LYS A 63 3.453 -11.595 -5.686 1.00 1.00 H new ATOM 0 HE3 LYS A 63 2.334 -10.432 -6.368 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 4.798 -9.811 -6.319 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 3.701 -8.640 -5.763 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 4.597 -9.558 -4.651 1.00 1.00 H new ATOM 1034 N ILE A 64 1.583 -6.200 -1.247 1.00 1.00 N ATOM 1035 CA ILE A 64 2.540 -5.084 -1.041 1.00 1.00 C ATOM 1036 C ILE A 64 3.961 -5.643 -1.067 1.00 1.00 C ATOM 1037 O ILE A 64 4.241 -6.626 -0.383 1.00 1.00 O ATOM 1038 CB ILE A 64 2.261 -4.381 0.335 1.00 1.00 C ATOM 1039 CG1 ILE A 64 0.714 -4.166 0.546 1.00 1.00 C ATOM 1040 CG2 ILE A 64 2.973 -3.002 0.372 1.00 1.00 C ATOM 1041 CD1 ILE A 64 -0.049 -5.467 0.923 1.00 1.00 C ATOM 0 H ILE A 64 1.297 -6.670 -0.388 1.00 1.00 H new ATOM 0 HA ILE A 64 2.421 -4.346 -1.834 1.00 1.00 H new ATOM 0 HB ILE A 64 2.643 -5.020 1.131 1.00 1.00 H new ATOM 0 HG12 ILE A 64 0.562 -3.425 1.331 1.00 1.00 H new ATOM 0 HG13 ILE A 64 0.285 -3.755 -0.368 1.00 1.00 H new ATOM 0 HG21 ILE A 64 2.777 -2.517 1.328 1.00 1.00 H new ATOM 0 HG22 ILE A 64 4.047 -3.144 0.250 1.00 1.00 H new ATOM 0 HG23 ILE A 64 2.596 -2.376 -0.436 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -1.108 -5.243 1.053 1.00 1.00 H new ATOM 0 HD12 ILE A 64 0.072 -6.203 0.128 1.00 1.00 H new ATOM 0 HD13 ILE A 64 0.353 -5.868 1.853 1.00 1.00 H new ATOM 1053 N TYR A 65 4.871 -5.053 -1.838 1.00 1.00 N ATOM 1054 CA TYR A 65 6.256 -5.549 -1.919 1.00 1.00 C ATOM 1055 C TYR A 65 6.912 -5.537 -0.540 1.00 1.00 C ATOM 1056 O TYR A 65 7.485 -6.537 -0.108 1.00 1.00 O ATOM 1057 CB TYR A 65 7.088 -4.678 -2.892 1.00 1.00 C ATOM 1058 CG TYR A 65 6.543 -4.810 -4.322 1.00 1.00 C ATOM 1059 CD1 TYR A 65 5.509 -3.967 -4.770 1.00 1.00 C ATOM 1060 CD2 TYR A 65 7.073 -5.779 -5.203 1.00 1.00 C ATOM 1061 CE1 TYR A 65 5.016 -4.091 -6.076 1.00 1.00 C ATOM 1062 CE2 TYR A 65 6.576 -5.894 -6.506 1.00 1.00 C ATOM 1063 CZ TYR A 65 5.549 -5.051 -6.941 1.00 1.00 C ATOM 1064 OH TYR A 65 5.063 -5.168 -8.227 1.00 1.00 O ATOM 0 H TYR A 65 4.683 -4.234 -2.416 1.00 1.00 H new ATOM 0 HA TYR A 65 6.226 -6.573 -2.291 1.00 1.00 H new ATOM 0 HB2 TYR A 65 7.054 -3.635 -2.577 1.00 1.00 H new ATOM 0 HB3 TYR A 65 8.133 -4.986 -2.864 1.00 1.00 H new ATOM 0 HD1 TYR A 65 5.095 -3.223 -4.106 1.00 1.00 H new ATOM 0 HD2 TYR A 65 7.865 -6.433 -4.870 1.00 1.00 H new ATOM 0 HE1 TYR A 65 4.222 -3.443 -6.415 1.00 1.00 H new ATOM 0 HE2 TYR A 65 6.986 -6.635 -7.176 1.00 1.00 H new ATOM 0 HH TYR A 65 5.544 -5.883 -8.695 1.00 1.00 H new ATOM 1074 N TRP A 66 6.832 -4.403 0.152 1.00 1.00 N ATOM 1075 CA TRP A 66 7.406 -4.246 1.491 1.00 1.00 C ATOM 1076 C TRP A 66 8.932 -4.485 1.473 1.00 1.00 C ATOM 1077 O TRP A 66 9.399 -5.495 0.947 1.00 1.00 O ATOM 1078 CB TRP A 66 6.690 -5.235 2.489 1.00 1.00 C ATOM 1079 CG TRP A 66 6.477 -4.599 3.840 1.00 1.00 C ATOM 1080 CD1 TRP A 66 7.418 -3.940 4.550 1.00 1.00 C ATOM 1081 CD2 TRP A 66 5.257 -4.538 4.627 1.00 1.00 C ATOM 1082 NE1 TRP A 66 6.860 -3.492 5.730 1.00 1.00 N ATOM 1083 CE2 TRP A 66 5.527 -3.829 5.822 1.00 1.00 C ATOM 1084 CE3 TRP A 66 3.954 -5.026 4.423 1.00 1.00 C ATOM 1085 CZ2 TRP A 66 4.538 -3.610 6.778 1.00 1.00 C ATOM 1086 CZ3 TRP A 66 2.956 -4.803 5.381 1.00 1.00 C ATOM 1087 CH2 TRP A 66 3.247 -4.095 6.553 1.00 1.00 C ATOM 0 H TRP A 66 6.368 -3.565 -0.198 1.00 1.00 H new ATOM 0 HA TRP A 66 7.242 -3.222 1.828 1.00 1.00 H new ATOM 0 HB2 TRP A 66 5.729 -5.540 2.074 1.00 1.00 H new ATOM 0 HB3 TRP A 66 7.290 -6.138 2.601 1.00 1.00 H new ATOM 0 HD1 TRP A 66 8.442 -3.788 4.244 1.00 1.00 H new ATOM 0 HE1 TRP A 66 7.371 -2.975 6.446 1.00 1.00 H new ATOM 0 HE3 TRP A 66 3.721 -5.576 3.523 1.00 1.00 H new ATOM 0 HZ2 TRP A 66 4.767 -3.070 7.685 1.00 1.00 H new ATOM 0 HZ3 TRP A 66 1.957 -5.179 5.214 1.00 1.00 H new ATOM 0 HH2 TRP A 66 2.472 -3.923 7.285 1.00 1.00 H new ATOM 1098 N GLN A 67 9.691 -3.568 2.066 1.00 1.00 N ATOM 1099 CA GLN A 67 11.169 -3.695 2.125 1.00 1.00 C ATOM 1100 C GLN A 67 11.681 -3.258 3.503 1.00 1.00 C ATOM 1101 O GLN A 67 11.378 -2.170 3.995 1.00 1.00 O ATOM 1102 CB GLN A 67 11.853 -2.840 1.019 1.00 1.00 C ATOM 1103 CG GLN A 67 11.267 -3.156 -0.378 1.00 1.00 C ATOM 1104 CD GLN A 67 11.492 -4.623 -0.753 1.00 1.00 C ATOM 1105 OE1 GLN A 67 10.627 -5.247 -1.368 1.00 1.00 O ATOM 1106 NE2 GLN A 67 12.612 -5.206 -0.423 1.00 1.00 N ATOM 0 H GLN A 67 9.323 -2.729 2.514 1.00 1.00 H new ATOM 0 HA GLN A 67 11.422 -4.742 1.956 1.00 1.00 H new ATOM 0 HB2 GLN A 67 11.720 -1.781 1.241 1.00 1.00 H new ATOM 0 HB3 GLN A 67 12.926 -3.033 1.018 1.00 1.00 H new ATOM 0 HG2 GLN A 67 10.200 -2.935 -0.386 1.00 1.00 H new ATOM 0 HG3 GLN A 67 11.731 -2.512 -1.124 1.00 1.00 H new ATOM 0 HE21 GLN A 67 13.327 -4.686 0.086 1.00 1.00 H new ATOM 0 HE22 GLN A 67 12.773 -6.181 -0.675 1.00 1.00 H new ATOM 1115 N LEU A 68 12.481 -4.119 4.122 1.00 1.00 N ATOM 1116 CA LEU A 68 13.056 -3.845 5.468 1.00 1.00 C ATOM 1117 C LEU A 68 14.589 -4.130 5.483 1.00 1.00 C ATOM 1118 O LEU A 68 14.974 -5.264 5.196 1.00 1.00 O ATOM 1119 CB LEU A 68 12.340 -4.739 6.528 1.00 1.00 C ATOM 1120 CG LEU A 68 10.753 -4.650 6.384 1.00 1.00 C ATOM 1121 CD1 LEU A 68 10.206 -5.873 5.604 1.00 1.00 C ATOM 1122 CD2 LEU A 68 10.067 -4.587 7.771 1.00 1.00 C ATOM 0 H LEU A 68 12.756 -5.018 3.727 1.00 1.00 H new ATOM 0 HA LEU A 68 12.901 -2.793 5.709 1.00 1.00 H new ATOM 0 HB2 LEU A 68 12.661 -5.774 6.410 1.00 1.00 H new ATOM 0 HB3 LEU A 68 12.635 -4.426 7.530 1.00 1.00 H new ATOM 0 HG LEU A 68 10.527 -3.736 5.835 1.00 1.00 H new ATOM 0 HD11 LEU A 68 9.122 -5.794 5.516 1.00 1.00 H new ATOM 0 HD12 LEU A 68 10.650 -5.898 4.609 1.00 1.00 H new ATOM 0 HD13 LEU A 68 10.461 -6.789 6.138 1.00 1.00 H new ATOM 0 HD21 LEU A 68 8.987 -4.527 7.640 1.00 1.00 H new ATOM 0 HD22 LEU A 68 10.314 -5.483 8.340 1.00 1.00 H new ATOM 0 HD23 LEU A 68 10.417 -3.707 8.310 1.00 1.00 H new ATOM 1134 N PRO A 69 15.435 -3.191 5.802 1.00 1.00 N ATOM 1135 CA PRO A 69 16.927 -3.447 5.809 1.00 1.00 C ATOM 1136 C PRO A 69 17.406 -4.099 7.114 1.00 1.00 C ATOM 1137 O PRO A 69 18.359 -3.638 7.742 1.00 1.00 O ATOM 1138 CB PRO A 69 17.494 -2.024 5.619 1.00 1.00 C ATOM 1139 CG PRO A 69 16.580 -1.182 6.465 1.00 1.00 C ATOM 1140 CD PRO A 69 15.166 -1.769 6.208 1.00 1.00 C ATOM 0 HA PRO A 69 17.251 -4.153 5.044 1.00 1.00 H new ATOM 0 HB2 PRO A 69 18.530 -1.954 5.951 1.00 1.00 H new ATOM 0 HB3 PRO A 69 17.473 -1.717 4.573 1.00 1.00 H new ATOM 0 HG2 PRO A 69 16.849 -1.241 7.520 1.00 1.00 H new ATOM 0 HG3 PRO A 69 16.632 -0.131 6.181 1.00 1.00 H new ATOM 0 HD2 PRO A 69 14.544 -1.719 7.102 1.00 1.00 H new ATOM 0 HD3 PRO A 69 14.642 -1.222 5.424 1.00 1.00 H new ATOM 1148 N ALA A 70 16.750 -5.185 7.507 1.00 1.00 N ATOM 1149 CA ALA A 70 17.101 -5.909 8.746 1.00 1.00 C ATOM 1150 C ALA A 70 16.748 -7.403 8.640 1.00 1.00 C ATOM 1151 O ALA A 70 16.681 -7.976 7.552 1.00 1.00 O ATOM 1152 CB ALA A 70 16.348 -5.245 9.913 1.00 1.00 C ATOM 0 H ALA A 70 15.969 -5.592 6.992 1.00 1.00 H new ATOM 0 HA ALA A 70 18.177 -5.853 8.914 1.00 1.00 H new ATOM 0 HB1 ALA A 70 16.589 -5.761 10.842 1.00 1.00 H new ATOM 0 HB2 ALA A 70 16.646 -4.199 9.990 1.00 1.00 H new ATOM 0 HB3 ALA A 70 15.274 -5.304 9.734 1.00 1.00 H new ATOM 1158 N GLY A 71 16.524 -8.033 9.788 1.00 1.00 N ATOM 1159 CA GLY A 71 16.181 -9.479 9.871 1.00 1.00 C ATOM 1160 C GLY A 71 14.744 -9.663 10.337 1.00 1.00 C ATOM 1161 O GLY A 71 14.468 -10.405 11.281 1.00 1.00 O ATOM 0 H GLY A 71 16.571 -7.571 10.696 1.00 1.00 H new ATOM 0 HA2 GLY A 71 16.315 -9.947 8.896 1.00 1.00 H new ATOM 0 HA3 GLY A 71 16.860 -9.980 10.561 1.00 1.00 H new ATOM 1165 N ILE A 72 13.824 -8.970 9.674 1.00 1.00 N ATOM 1166 CA ILE A 72 12.383 -9.034 10.010 1.00 1.00 C ATOM 1167 C ILE A 72 11.638 -9.960 9.037 1.00 1.00 C ATOM 1168 O ILE A 72 11.902 -9.989 7.836 1.00 1.00 O ATOM 1169 CB ILE A 72 11.766 -7.607 9.954 1.00 1.00 C ATOM 1170 CG1 ILE A 72 12.498 -6.691 10.985 1.00 1.00 C ATOM 1171 CG2 ILE A 72 10.242 -7.670 10.293 1.00 1.00 C ATOM 1172 CD1 ILE A 72 12.073 -5.223 10.835 1.00 1.00 C ATOM 0 H ILE A 72 14.041 -8.350 8.894 1.00 1.00 H new ATOM 0 HA ILE A 72 12.280 -9.436 11.018 1.00 1.00 H new ATOM 0 HB ILE A 72 11.887 -7.199 8.950 1.00 1.00 H new ATOM 0 HG12 ILE A 72 12.279 -7.033 11.997 1.00 1.00 H new ATOM 0 HG13 ILE A 72 13.576 -6.775 10.847 1.00 1.00 H new ATOM 0 HG21 ILE A 72 9.818 -6.667 10.251 1.00 1.00 H new ATOM 0 HG22 ILE A 72 9.735 -8.308 9.570 1.00 1.00 H new ATOM 0 HG23 ILE A 72 10.109 -8.079 11.295 1.00 1.00 H new ATOM 0 HD11 ILE A 72 12.602 -4.614 11.568 1.00 1.00 H new ATOM 0 HD12 ILE A 72 12.316 -4.875 9.831 1.00 1.00 H new ATOM 0 HD13 ILE A 72 10.999 -5.137 10.999 1.00 1.00 H new ATOM 1184 N GLU A 73 10.688 -10.713 9.581 1.00 1.00 N ATOM 1185 CA GLU A 73 9.864 -11.662 8.784 1.00 1.00 C ATOM 1186 C GLU A 73 8.399 -11.200 8.757 1.00 1.00 C ATOM 1187 O GLU A 73 7.875 -10.661 9.732 1.00 1.00 O ATOM 1188 CB GLU A 73 9.958 -13.076 9.411 1.00 1.00 C ATOM 1189 CG GLU A 73 11.425 -13.570 9.425 1.00 1.00 C ATOM 1190 CD GLU A 73 11.971 -13.739 8.003 1.00 1.00 C ATOM 1191 OE1 GLU A 73 11.205 -14.120 7.136 1.00 1.00 O ATOM 1192 OE2 GLU A 73 13.150 -13.486 7.808 1.00 1.00 O ATOM 0 H GLU A 73 10.456 -10.696 10.574 1.00 1.00 H new ATOM 0 HA GLU A 73 10.240 -11.691 7.761 1.00 1.00 H new ATOM 0 HB2 GLU A 73 9.566 -13.055 10.428 1.00 1.00 H new ATOM 0 HB3 GLU A 73 9.340 -13.772 8.845 1.00 1.00 H new ATOM 0 HG2 GLU A 73 12.045 -12.860 9.972 1.00 1.00 H new ATOM 0 HG3 GLU A 73 11.486 -14.520 9.955 1.00 1.00 H new ATOM 1199 N MET A 74 7.731 -11.414 7.629 1.00 1.00 N ATOM 1200 CA MET A 74 6.316 -11.013 7.481 1.00 1.00 C ATOM 1201 C MET A 74 5.412 -12.119 8.025 1.00 1.00 C ATOM 1202 O MET A 74 5.297 -13.198 7.446 1.00 1.00 O ATOM 1203 CB MET A 74 5.974 -10.757 5.987 1.00 1.00 C ATOM 1204 CG MET A 74 4.587 -10.090 5.838 1.00 1.00 C ATOM 1205 SD MET A 74 4.260 -9.759 4.078 1.00 1.00 S ATOM 1206 CE MET A 74 3.458 -11.324 3.629 1.00 1.00 C ATOM 0 H MET A 74 8.133 -11.858 6.804 1.00 1.00 H new ATOM 0 HA MET A 74 6.154 -10.092 8.042 1.00 1.00 H new ATOM 0 HB2 MET A 74 6.737 -10.119 5.540 1.00 1.00 H new ATOM 0 HB3 MET A 74 5.987 -11.700 5.441 1.00 1.00 H new ATOM 0 HG2 MET A 74 3.813 -10.740 6.247 1.00 1.00 H new ATOM 0 HG3 MET A 74 4.556 -9.160 6.406 1.00 1.00 H new ATOM 0 HE1 MET A 74 3.185 -11.303 2.574 1.00 1.00 H new ATOM 0 HE2 MET A 74 4.146 -12.150 3.809 1.00 1.00 H new ATOM 0 HE3 MET A 74 2.561 -11.460 4.234 1.00 1.00 H new ATOM 1216 N VAL A 75 4.744 -11.850 9.142 1.00 1.00 N ATOM 1217 CA VAL A 75 3.850 -12.857 9.745 1.00 1.00 C ATOM 1218 C VAL A 75 2.756 -13.221 8.765 1.00 1.00 C ATOM 1219 O VAL A 75 2.759 -14.319 8.207 1.00 1.00 O ATOM 1220 CB VAL A 75 3.216 -12.309 11.046 1.00 1.00 C ATOM 1221 CG1 VAL A 75 2.242 -13.339 11.697 1.00 1.00 C ATOM 1222 CG2 VAL A 75 4.344 -11.975 12.043 1.00 1.00 C ATOM 0 H VAL A 75 4.796 -10.965 9.647 1.00 1.00 H new ATOM 0 HA VAL A 75 4.437 -13.744 9.985 1.00 1.00 H new ATOM 0 HB VAL A 75 2.639 -11.418 10.797 1.00 1.00 H new ATOM 0 HG11 VAL A 75 1.819 -12.915 12.607 1.00 1.00 H new ATOM 0 HG12 VAL A 75 1.439 -13.572 10.998 1.00 1.00 H new ATOM 0 HG13 VAL A 75 2.787 -14.251 11.941 1.00 1.00 H new ATOM 0 HG21 VAL A 75 3.911 -11.587 12.965 1.00 1.00 H new ATOM 0 HG22 VAL A 75 4.916 -12.877 12.261 1.00 1.00 H new ATOM 0 HG23 VAL A 75 5.004 -11.224 11.608 1.00 1.00 H new ATOM 1232 N SER A 76 1.804 -12.318 8.554 1.00 1.00 N ATOM 1233 CA SER A 76 0.680 -12.556 7.663 1.00 1.00 C ATOM 1234 C SER A 76 -0.150 -11.293 7.512 1.00 1.00 C ATOM 1235 O SER A 76 -0.172 -10.457 8.417 1.00 1.00 O ATOM 1236 CB SER A 76 -0.219 -13.617 8.306 1.00 1.00 C ATOM 1237 OG SER A 76 -1.335 -13.862 7.464 1.00 1.00 O ATOM 0 H SER A 76 1.792 -11.400 8.998 1.00 1.00 H new ATOM 0 HA SER A 76 1.056 -12.872 6.690 1.00 1.00 H new ATOM 0 HB2 SER A 76 0.342 -14.538 8.462 1.00 1.00 H new ATOM 0 HB3 SER A 76 -0.556 -13.279 9.286 1.00 1.00 H new ATOM 0 HG SER A 76 -1.910 -14.542 7.873 1.00 1.00 H new ATOM 1243 N ILE A 77 -0.841 -11.158 6.387 1.00 1.00 N ATOM 1244 CA ILE A 77 -1.746 -10.001 6.178 1.00 1.00 C ATOM 1245 C ILE A 77 -0.950 -8.658 6.250 1.00 1.00 C ATOM 1246 O ILE A 77 0.203 -8.689 6.680 1.00 1.00 O ATOM 1247 CB ILE A 77 -2.988 -10.110 7.240 1.00 1.00 C ATOM 1248 CG1 ILE A 77 -2.841 -9.133 8.479 1.00 1.00 C ATOM 1249 CG2 ILE A 77 -3.198 -11.582 7.742 1.00 1.00 C ATOM 1250 CD1 ILE A 77 -4.064 -9.218 9.410 1.00 1.00 C ATOM 0 H ILE A 77 -0.804 -11.816 5.608 1.00 1.00 H new ATOM 0 HA ILE A 77 -2.178 -10.017 5.178 1.00 1.00 H new ATOM 0 HB ILE A 77 -3.870 -9.796 6.682 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -1.939 -9.384 9.037 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -2.722 -8.109 8.125 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -4.031 -11.612 8.445 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -3.417 -12.228 6.892 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -2.292 -11.930 8.238 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -3.931 -8.535 10.249 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -4.962 -8.942 8.857 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.167 -10.237 9.784 1.00 1.00 H new ATOM 1262 N PRO A 78 -1.519 -7.529 5.927 1.00 1.00 N ATOM 1263 CA PRO A 78 -2.908 -7.318 5.389 1.00 1.00 C ATOM 1264 C PRO A 78 -2.927 -7.171 3.865 1.00 1.00 C ATOM 1265 O PRO A 78 -1.961 -6.727 3.243 1.00 1.00 O ATOM 1266 CB PRO A 78 -3.336 -5.989 6.049 1.00 1.00 C ATOM 1267 CG PRO A 78 -2.039 -5.209 6.266 1.00 1.00 C ATOM 1268 CD PRO A 78 -0.865 -6.208 6.017 1.00 1.00 C ATOM 0 HA PRO A 78 -3.563 -8.162 5.606 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -4.025 -5.437 5.410 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -3.851 -6.167 6.993 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -1.978 -4.362 5.582 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -1.995 -4.805 7.278 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -0.327 -5.968 5.100 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -0.139 -6.179 6.830 1.00 1.00 H new ATOM 1276 N ASP A 79 -4.065 -7.519 3.272 1.00 1.00 N ATOM 1277 CA ASP A 79 -4.279 -7.406 1.828 1.00 1.00 C ATOM 1278 C ASP A 79 -4.880 -6.039 1.546 1.00 1.00 C ATOM 1279 O ASP A 79 -5.490 -5.386 2.392 1.00 1.00 O ATOM 1280 CB ASP A 79 -5.228 -8.534 1.306 1.00 1.00 C ATOM 1281 CG ASP A 79 -6.269 -8.912 2.367 1.00 1.00 C ATOM 1282 OD1 ASP A 79 -5.887 -9.543 3.337 1.00 1.00 O ATOM 1283 OD2 ASP A 79 -7.427 -8.562 2.194 1.00 1.00 O ATOM 0 H ASP A 79 -4.869 -7.889 3.779 1.00 1.00 H new ATOM 0 HA ASP A 79 -3.327 -7.518 1.309 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -5.733 -8.199 0.400 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -4.641 -9.413 1.038 1.00 1.00 H new ATOM 1288 N VAL A 80 -4.704 -5.573 0.314 1.00 1.00 N ATOM 1289 CA VAL A 80 -5.233 -4.254 -0.101 1.00 1.00 C ATOM 1290 C VAL A 80 -6.278 -4.431 -1.210 1.00 1.00 C ATOM 1291 O VAL A 80 -6.060 -5.088 -2.229 1.00 1.00 O ATOM 1292 CB VAL A 80 -4.084 -3.324 -0.583 1.00 1.00 C ATOM 1293 CG1 VAL A 80 -4.622 -1.889 -0.835 1.00 1.00 C ATOM 1294 CG2 VAL A 80 -2.977 -3.278 0.496 1.00 1.00 C ATOM 0 H VAL A 80 -4.204 -6.076 -0.419 1.00 1.00 H new ATOM 0 HA VAL A 80 -5.709 -3.786 0.761 1.00 1.00 H new ATOM 0 HB VAL A 80 -3.677 -3.716 -1.515 1.00 1.00 H new ATOM 0 HG11 VAL A 80 -3.807 -1.249 -1.172 1.00 1.00 H new ATOM 0 HG12 VAL A 80 -5.398 -1.921 -1.599 1.00 1.00 H new ATOM 0 HG13 VAL A 80 -5.039 -1.489 0.089 1.00 1.00 H new ATOM 0 HG21 VAL A 80 -2.170 -2.627 0.161 1.00 1.00 H new ATOM 0 HG22 VAL A 80 -3.392 -2.892 1.427 1.00 1.00 H new ATOM 0 HG23 VAL A 80 -2.588 -4.283 0.661 1.00 1.00 H new ATOM 1304 N THR A 81 -7.428 -3.799 -1.003 1.00 1.00 N ATOM 1305 CA THR A 81 -8.542 -3.849 -1.979 1.00 1.00 C ATOM 1306 C THR A 81 -9.186 -2.463 -2.082 1.00 1.00 C ATOM 1307 O THR A 81 -9.618 -1.884 -1.085 1.00 1.00 O ATOM 1308 CB THR A 81 -9.580 -4.910 -1.528 1.00 1.00 C ATOM 1309 OG1 THR A 81 -8.896 -6.115 -1.216 1.00 1.00 O ATOM 1310 CG2 THR A 81 -10.600 -5.195 -2.654 1.00 1.00 C ATOM 0 H THR A 81 -7.626 -3.242 -0.172 1.00 1.00 H new ATOM 0 HA THR A 81 -8.166 -4.133 -2.962 1.00 1.00 H new ATOM 0 HB THR A 81 -10.115 -4.530 -0.657 1.00 1.00 H new ATOM 0 HG1 THR A 81 -9.542 -6.793 -0.928 1.00 1.00 H new ATOM 0 HG21 THR A 81 -11.318 -5.942 -2.314 1.00 1.00 H new ATOM 0 HG22 THR A 81 -11.127 -4.275 -2.909 1.00 1.00 H new ATOM 0 HG23 THR A 81 -10.076 -5.569 -3.534 1.00 1.00 H new ATOM 1318 N TYR A 82 -9.251 -1.933 -3.298 1.00 1.00 N ATOM 1319 CA TYR A 82 -9.843 -0.612 -3.538 1.00 1.00 C ATOM 1320 C TYR A 82 -10.582 -0.600 -4.857 1.00 1.00 C ATOM 1321 O TYR A 82 -10.713 -1.603 -5.558 1.00 1.00 O ATOM 1322 CB TYR A 82 -8.746 0.472 -3.513 1.00 1.00 C ATOM 1323 CG TYR A 82 -7.696 0.209 -4.611 1.00 1.00 C ATOM 1324 CD1 TYR A 82 -6.743 -0.809 -4.439 1.00 1.00 C ATOM 1325 CD2 TYR A 82 -7.671 0.984 -5.791 1.00 1.00 C ATOM 1326 CE1 TYR A 82 -5.778 -1.049 -5.425 1.00 1.00 C ATOM 1327 CE2 TYR A 82 -6.699 0.741 -6.771 1.00 1.00 C ATOM 1328 CZ TYR A 82 -5.755 -0.273 -6.589 1.00 1.00 C ATOM 1329 OH TYR A 82 -4.800 -0.509 -7.556 1.00 1.00 O ATOM 0 H TYR A 82 -8.902 -2.395 -4.138 1.00 1.00 H new ATOM 0 HA TYR A 82 -10.559 -0.395 -2.745 1.00 1.00 H new ATOM 0 HB2 TYR A 82 -9.195 1.454 -3.660 1.00 1.00 H new ATOM 0 HB3 TYR A 82 -8.263 0.485 -2.536 1.00 1.00 H new ATOM 0 HD1 TYR A 82 -6.755 -1.410 -3.542 1.00 1.00 H new ATOM 0 HD2 TYR A 82 -8.402 1.765 -5.939 1.00 1.00 H new ATOM 0 HE1 TYR A 82 -5.050 -1.835 -5.287 1.00 1.00 H new ATOM 0 HE2 TYR A 82 -6.680 1.339 -7.670 1.00 1.00 H new ATOM 0 HH TYR A 82 -4.926 0.117 -8.299 1.00 1.00 H new ATOM 1339 N THR A 83 -11.096 0.567 -5.230 1.00 1.00 N ATOM 1340 CA THR A 83 -11.860 0.727 -6.497 1.00 1.00 C ATOM 1341 C THR A 83 -11.258 1.837 -7.364 1.00 1.00 C ATOM 1342 O THR A 83 -11.183 2.998 -6.962 1.00 1.00 O ATOM 1343 CB THR A 83 -13.337 1.054 -6.151 1.00 1.00 C ATOM 1344 OG1 THR A 83 -13.794 0.106 -5.195 1.00 1.00 O ATOM 1345 CG2 THR A 83 -14.235 0.961 -7.403 1.00 1.00 C ATOM 0 H THR A 83 -11.007 1.425 -4.685 1.00 1.00 H new ATOM 0 HA THR A 83 -11.809 -0.201 -7.067 1.00 1.00 H new ATOM 0 HB THR A 83 -13.390 2.070 -5.759 1.00 1.00 H new ATOM 0 HG1 THR A 83 -14.726 0.299 -4.963 1.00 1.00 H new ATOM 0 HG21 THR A 83 -15.264 1.195 -7.131 1.00 1.00 H new ATOM 0 HG22 THR A 83 -13.888 1.671 -8.153 1.00 1.00 H new ATOM 0 HG23 THR A 83 -14.188 -0.049 -7.810 1.00 1.00 H new ATOM 1353 N LEU A 84 -10.839 1.480 -8.574 1.00 1.00 N ATOM 1354 CA LEU A 84 -10.241 2.444 -9.524 1.00 1.00 C ATOM 1355 C LEU A 84 -11.291 2.877 -10.547 1.00 1.00 C ATOM 1356 O LEU A 84 -12.009 2.058 -11.119 1.00 1.00 O ATOM 1357 CB LEU A 84 -9.025 1.790 -10.234 1.00 1.00 C ATOM 1358 CG LEU A 84 -8.235 2.805 -11.133 1.00 1.00 C ATOM 1359 CD1 LEU A 84 -7.713 4.039 -10.319 1.00 1.00 C ATOM 1360 CD2 LEU A 84 -7.036 2.070 -11.808 1.00 1.00 C ATOM 0 H LEU A 84 -10.898 0.527 -8.932 1.00 1.00 H new ATOM 0 HA LEU A 84 -9.897 3.326 -8.983 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -8.352 1.374 -9.485 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -9.371 0.959 -10.848 1.00 1.00 H new ATOM 0 HG LEU A 84 -8.921 3.185 -11.890 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -7.173 4.712 -10.985 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -8.558 4.567 -9.877 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -7.045 3.697 -9.529 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -6.485 2.772 -12.434 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -6.374 1.672 -11.039 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -7.411 1.252 -12.424 1.00 1.00 H new ATOM 1372 N LYS A 85 -11.389 4.182 -10.782 1.00 1.00 N ATOM 1373 CA LYS A 85 -12.359 4.757 -11.733 1.00 1.00 C ATOM 1374 C LYS A 85 -11.696 5.846 -12.567 1.00 1.00 C ATOM 1375 O LYS A 85 -10.617 6.353 -12.270 1.00 1.00 O ATOM 1376 CB LYS A 85 -13.572 5.335 -10.957 1.00 1.00 C ATOM 1377 CG LYS A 85 -14.421 4.211 -10.271 1.00 1.00 C ATOM 1378 CD LYS A 85 -15.259 3.407 -11.306 1.00 1.00 C ATOM 1379 CE LYS A 85 -16.097 2.328 -10.600 1.00 1.00 C ATOM 1380 NZ LYS A 85 -16.866 1.564 -11.625 1.00 1.00 N ATOM 0 H LYS A 85 -10.802 4.878 -10.323 1.00 1.00 H new ATOM 0 HA LYS A 85 -12.709 3.973 -12.405 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -13.218 6.035 -10.200 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -14.204 5.900 -11.642 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -13.759 3.532 -9.734 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -15.087 4.658 -9.533 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -15.914 4.083 -11.856 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -14.597 2.942 -12.036 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -15.449 1.656 -10.037 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -16.778 2.788 -9.884 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -17.436 0.831 -11.156 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -17.493 2.212 -12.143 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -16.206 1.115 -12.291 1.00 1.00 H new ATOM 1394 N ALA A 86 -12.371 6.204 -13.656 1.00 1.00 N ATOM 1395 CA ALA A 86 -11.887 7.222 -14.585 1.00 1.00 C ATOM 1396 C ALA A 86 -11.943 8.612 -13.958 1.00 1.00 C ATOM 1397 O ALA A 86 -12.818 8.909 -13.143 1.00 1.00 O ATOM 1398 CB ALA A 86 -12.751 7.185 -15.861 1.00 1.00 C ATOM 0 H ALA A 86 -13.268 5.797 -13.920 1.00 1.00 H new ATOM 0 HA ALA A 86 -10.847 7.009 -14.831 1.00 1.00 H new ATOM 0 HB1 ALA A 86 -12.398 7.942 -16.562 1.00 1.00 H new ATOM 0 HB2 ALA A 86 -12.677 6.200 -16.322 1.00 1.00 H new ATOM 0 HB3 ALA A 86 -13.790 7.387 -15.603 1.00 1.00 H new ATOM 1404 N LYS A 87 -11.006 9.468 -14.348 1.00 1.00 N ATOM 1405 CA LYS A 87 -10.928 10.837 -13.848 1.00 1.00 C ATOM 1406 C LYS A 87 -12.191 11.620 -14.223 1.00 1.00 C ATOM 1407 O LYS A 87 -12.950 11.210 -15.100 1.00 1.00 O ATOM 1408 CB LYS A 87 -9.652 11.497 -14.442 1.00 1.00 C ATOM 1409 CG LYS A 87 -9.796 11.746 -16.004 1.00 1.00 C ATOM 1410 CD LYS A 87 -10.169 13.241 -16.321 1.00 1.00 C ATOM 1411 CE LYS A 87 -8.909 14.137 -16.365 1.00 1.00 C ATOM 1412 NZ LYS A 87 -7.988 13.661 -17.439 1.00 1.00 N ATOM 0 H LYS A 87 -10.277 9.233 -15.021 1.00 1.00 H new ATOM 0 HA LYS A 87 -10.864 10.840 -12.760 1.00 1.00 H new ATOM 0 HB2 LYS A 87 -9.463 12.445 -13.938 1.00 1.00 H new ATOM 0 HB3 LYS A 87 -8.789 10.858 -14.253 1.00 1.00 H new ATOM 0 HG2 LYS A 87 -8.860 11.491 -16.501 1.00 1.00 H new ATOM 0 HG3 LYS A 87 -10.563 11.086 -16.409 1.00 1.00 H new ATOM 0 HD2 LYS A 87 -10.689 13.293 -17.278 1.00 1.00 H new ATOM 0 HD3 LYS A 87 -10.858 13.615 -15.563 1.00 1.00 H new ATOM 0 HE2 LYS A 87 -9.194 15.173 -16.550 1.00 1.00 H new ATOM 0 HE3 LYS A 87 -8.401 14.114 -15.401 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 -7.425 14.460 -17.793 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 -7.353 12.933 -17.054 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 -8.544 13.257 -18.219 1.00 1.00 H new