USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 738 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 THR OG1 : rot -32:sc= 0.989 USER MOD Set 1.2: A 94 THR OG1 : rot 78:sc= 1.17 USER MOD Set 2.1: A 24 ASN :FLIP amide:sc= 0.0173 F(o=-3!,f=-0.059) USER MOD Set 2.2: A 34 HIS : no HD1:sc= -0.0765 K(o=-0.059,f=-1) USER MOD Single : A 15 MET CE :methyl 171:sc= -0.144 (180deg=-0.362) USER MOD Single : A 20 ASN : amide:sc= 0.962 K(o=0.96,f=-3.9!) USER MOD Single : A 27 ASN : amide:sc= -0.0191 X(o=-0.019,f=-0.016) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0747 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 174:sc= -0.0218 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.26) USER MOD Single : A 50 TYR OH : rot 180:sc=-0.00494 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.15) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 152:sc= 0.769 (180deg=0.315) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS :FLIP no HD1:sc= -0.134 F(o=-0.66,f=-0.13) USER MOD Single : A 83 MET CE :methyl -126:sc= -4.13! (180deg=-7.48!) USER MOD Single : A 91 SER OG : rot 78:sc= -0.559 USER MOD Single : A 92 HIS : no HD1:sc= -0.357 X(o=-0.36,f=-0.063) USER MOD Single : A 93 TYR OH : rot 0:sc= 0.617 USER MOD Single : A 96 ASN : amide:sc= -0.633 K(o=-0.63,f=-2.3) USER MOD Single : A 101 ASN : amide:sc= 0.831 K(o=0.83,f=-8.3!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 66:sc= 1.53 USER MOD Single : A 115 ASN : amide:sc= 0.106 X(o=0.11,f=0) USER MOD Single : A 116 THR OG1 : rot -160:sc= 0.831 USER MOD ----------------------------------------------------------------- ATOM 128 N LEU A 13 5.316 -17.141 8.949 1.00 0.00 N ATOM 129 CA LEU A 13 5.026 -16.263 7.823 1.00 0.00 C ATOM 130 C LEU A 13 3.530 -16.312 7.505 1.00 0.00 C ATOM 131 O LEU A 13 2.879 -17.329 7.765 1.00 0.00 O ATOM 132 CB LEU A 13 5.870 -16.663 6.593 1.00 0.00 C ATOM 133 CG LEU A 13 7.357 -16.281 6.726 1.00 0.00 C ATOM 134 CD1 LEU A 13 8.183 -16.767 5.536 1.00 0.00 C ATOM 135 CD2 LEU A 13 7.546 -14.765 6.809 1.00 0.00 C ATOM 0 HA LEU A 13 5.292 -15.240 8.088 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.790 -17.739 6.440 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.457 -16.184 5.706 1.00 0.00 H new ATOM 0 HG LEU A 13 7.697 -16.762 7.643 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.224 -16.475 5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.116 -17.853 5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.798 -16.320 4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.607 -14.535 6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.152 -14.299 5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.014 -14.379 7.678 1.00 0.00 H new ATOM 147 N PRO A 14 2.976 -15.241 6.909 1.00 0.00 N ATOM 148 CA PRO A 14 1.591 -15.246 6.470 1.00 0.00 C ATOM 149 C PRO A 14 1.392 -16.266 5.354 1.00 0.00 C ATOM 150 O PRO A 14 2.335 -16.685 4.682 1.00 0.00 O ATOM 151 CB PRO A 14 1.304 -13.826 5.969 1.00 0.00 C ATOM 152 CG PRO A 14 2.681 -13.305 5.588 1.00 0.00 C ATOM 153 CD PRO A 14 3.628 -13.983 6.561 1.00 0.00 C ATOM 0 HA PRO A 14 0.913 -15.524 7.277 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.625 -13.830 5.116 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.841 -13.212 6.742 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.928 -13.554 4.556 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.733 -12.220 5.675 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.603 -14.157 6.106 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.794 -13.367 7.445 1.00 0.00 H new ATOM 161 N MET A 15 0.134 -16.594 5.085 1.00 0.00 N ATOM 162 CA MET A 15 -0.261 -17.507 4.026 1.00 0.00 C ATOM 163 C MET A 15 -0.914 -16.781 2.862 1.00 0.00 C ATOM 164 O MET A 15 -0.715 -17.194 1.719 1.00 0.00 O ATOM 165 CB MET A 15 -1.200 -18.573 4.605 1.00 0.00 C ATOM 166 CG MET A 15 -0.476 -19.468 5.620 1.00 0.00 C ATOM 167 SD MET A 15 -1.056 -21.186 5.713 1.00 0.00 S ATOM 168 CE MET A 15 -2.663 -20.976 6.524 1.00 0.00 C ATOM 0 H MET A 15 -0.657 -16.222 5.611 1.00 0.00 H new ATOM 0 HA MET A 15 0.635 -17.986 3.630 1.00 0.00 H new ATOM 0 HB2 MET A 15 -2.050 -18.088 5.086 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.599 -19.186 3.797 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.586 -19.476 5.376 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.573 -19.017 6.608 1.00 0.00 H new ATOM 0 HE1 MET A 15 -3.206 -21.921 6.505 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.511 -20.665 7.558 1.00 0.00 H new ATOM 0 HE3 MET A 15 -3.240 -20.215 5.998 1.00 0.00 H new ATOM 178 N VAL A 16 -1.678 -15.717 3.103 1.00 0.00 N ATOM 179 CA VAL A 16 -2.610 -15.198 2.108 1.00 0.00 C ATOM 180 C VAL A 16 -2.459 -13.687 1.934 1.00 0.00 C ATOM 181 O VAL A 16 -1.907 -12.981 2.782 1.00 0.00 O ATOM 182 CB VAL A 16 -4.053 -15.626 2.459 1.00 0.00 C ATOM 183 CG1 VAL A 16 -4.228 -17.151 2.515 1.00 0.00 C ATOM 184 CG2 VAL A 16 -4.500 -15.028 3.789 1.00 0.00 C ATOM 0 H VAL A 16 -1.669 -15.198 3.981 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.371 -15.632 1.137 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.677 -15.242 1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.262 -17.390 2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.981 -17.581 1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.565 -17.566 3.275 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.519 -15.348 4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.835 -15.368 4.583 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.466 -13.940 3.729 1.00 0.00 H new ATOM 194 N ALA A 17 -2.961 -13.215 0.800 1.00 0.00 N ATOM 195 CA ALA A 17 -3.300 -11.845 0.519 1.00 0.00 C ATOM 196 C ALA A 17 -4.676 -11.572 1.120 1.00 0.00 C ATOM 197 O ALA A 17 -5.456 -12.519 1.289 1.00 0.00 O ATOM 198 CB ALA A 17 -3.381 -11.698 -1.001 1.00 0.00 C ATOM 0 H ALA A 17 -3.151 -13.827 0.007 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.566 -11.154 0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.637 -10.669 -1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.417 -11.951 -1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.147 -12.369 -1.391 1.00 0.00 H new ATOM 204 N PRO A 18 -5.021 -10.304 1.377 1.00 0.00 N ATOM 205 CA PRO A 18 -6.413 -9.941 1.558 1.00 0.00 C ATOM 206 C PRO A 18 -7.207 -10.290 0.284 1.00 0.00 C ATOM 207 O PRO A 18 -6.650 -10.508 -0.798 1.00 0.00 O ATOM 208 CB PRO A 18 -6.421 -8.433 1.865 1.00 0.00 C ATOM 209 CG PRO A 18 -4.957 -8.043 2.056 1.00 0.00 C ATOM 210 CD PRO A 18 -4.176 -9.124 1.314 1.00 0.00 C ATOM 0 HA PRO A 18 -6.889 -10.486 2.373 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.873 -7.870 1.049 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.003 -8.219 2.761 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.753 -7.054 1.647 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.688 -8.013 3.112 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.981 -8.832 0.282 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.209 -9.305 1.783 1.00 0.00 H new ATOM 218 N GLY A 19 -8.526 -10.317 0.405 1.00 0.00 N ATOM 219 CA GLY A 19 -9.463 -10.626 -0.660 1.00 0.00 C ATOM 220 C GLY A 19 -9.507 -9.575 -1.762 1.00 0.00 C ATOM 221 O GLY A 19 -8.618 -8.732 -1.867 1.00 0.00 O ATOM 0 H GLY A 19 -8.991 -10.114 1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.197 -11.588 -1.098 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.460 -10.735 -0.234 1.00 0.00 H new ATOM 225 N ASN A 20 -10.541 -9.630 -2.608 1.00 0.00 N ATOM 226 CA ASN A 20 -10.778 -8.623 -3.641 1.00 0.00 C ATOM 227 C ASN A 20 -10.823 -7.247 -2.978 1.00 0.00 C ATOM 228 O ASN A 20 -11.707 -6.980 -2.168 1.00 0.00 O ATOM 229 CB ASN A 20 -12.100 -8.853 -4.396 1.00 0.00 C ATOM 230 CG ASN A 20 -12.341 -7.678 -5.337 1.00 0.00 C ATOM 231 OD1 ASN A 20 -11.530 -7.426 -6.223 1.00 0.00 O ATOM 232 ND2 ASN A 20 -13.411 -6.923 -5.185 1.00 0.00 N ATOM 0 H ASN A 20 -11.237 -10.376 -2.594 1.00 0.00 H new ATOM 0 HA ASN A 20 -9.968 -8.693 -4.367 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.055 -9.785 -4.960 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -12.926 -8.947 -3.691 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -13.566 -6.128 -5.804 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.084 -7.134 -4.448 1.00 0.00 H new ATOM 239 N VAL A 21 -9.879 -6.384 -3.316 1.00 0.00 N ATOM 240 CA VAL A 21 -9.781 -5.023 -2.811 1.00 0.00 C ATOM 241 C VAL A 21 -10.753 -4.161 -3.629 1.00 0.00 C ATOM 242 O VAL A 21 -11.036 -4.462 -4.793 1.00 0.00 O ATOM 243 CB VAL A 21 -8.290 -4.623 -2.919 1.00 0.00 C ATOM 244 CG1 VAL A 21 -7.934 -3.185 -2.515 1.00 0.00 C ATOM 245 CG2 VAL A 21 -7.452 -5.578 -2.051 1.00 0.00 C ATOM 0 H VAL A 21 -9.134 -6.619 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.070 -4.896 -1.768 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.068 -4.691 -3.984 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.862 -3.028 -2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.476 -2.484 -3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.211 -3.021 -1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.399 -5.304 -2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.778 -5.507 -1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.585 -6.601 -2.403 1.00 0.00 H new ATOM 255 N ARG A 22 -11.230 -3.065 -3.050 1.00 0.00 N ATOM 256 CA ARG A 22 -11.996 -1.998 -3.689 1.00 0.00 C ATOM 257 C ARG A 22 -11.243 -0.707 -3.417 1.00 0.00 C ATOM 258 O ARG A 22 -10.498 -0.624 -2.448 1.00 0.00 O ATOM 259 CB ARG A 22 -13.400 -1.924 -3.058 1.00 0.00 C ATOM 260 CG ARG A 22 -14.329 -3.072 -3.458 1.00 0.00 C ATOM 261 CD ARG A 22 -14.899 -2.844 -4.858 1.00 0.00 C ATOM 262 NE ARG A 22 -15.703 -3.987 -5.315 1.00 0.00 N ATOM 263 CZ ARG A 22 -16.196 -4.126 -6.547 1.00 0.00 C ATOM 264 NH1 ARG A 22 -16.054 -3.146 -7.437 1.00 0.00 N ATOM 265 NH2 ARG A 22 -16.806 -5.256 -6.881 1.00 0.00 N ATOM 0 H ARG A 22 -11.083 -2.885 -2.057 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.110 -2.173 -4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.298 -1.915 -1.973 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.864 -0.980 -3.342 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.782 -4.015 -3.432 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.143 -3.155 -2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.514 -1.944 -4.857 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.082 -2.671 -5.559 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.898 -4.728 -4.641 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.568 -2.288 -7.177 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.431 -3.254 -8.379 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.895 -6.009 -6.198 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.186 -5.372 -7.820 1.00 0.00 H new ATOM 279 N VAL A 23 -11.385 0.309 -4.250 1.00 0.00 N ATOM 280 CA VAL A 23 -10.925 1.653 -3.949 1.00 0.00 C ATOM 281 C VAL A 23 -11.893 2.617 -4.605 1.00 0.00 C ATOM 282 O VAL A 23 -12.344 2.391 -5.731 1.00 0.00 O ATOM 283 CB VAL A 23 -9.446 1.846 -4.339 1.00 0.00 C ATOM 284 CG1 VAL A 23 -9.043 0.931 -5.487 1.00 0.00 C ATOM 285 CG2 VAL A 23 -8.987 3.303 -4.495 1.00 0.00 C ATOM 0 H VAL A 23 -11.828 0.223 -5.165 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.930 1.850 -2.877 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.874 1.524 -3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.994 1.096 -5.733 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.187 -0.108 -5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.659 1.149 -6.359 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.933 3.325 -4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.575 3.788 -5.274 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.127 3.831 -3.552 1.00 0.00 H new ATOM 295 N ASN A 24 -12.204 3.671 -3.869 1.00 0.00 N ATOM 296 CA ASN A 24 -13.094 4.755 -4.222 1.00 0.00 C ATOM 297 C ASN A 24 -12.274 6.013 -4.074 1.00 0.00 C ATOM 298 O ASN A 24 -11.825 6.311 -2.968 1.00 0.00 O ATOM 299 CB ASN A 24 -14.330 4.851 -3.304 1.00 0.00 C ATOM 300 CG ASN A 24 -14.519 3.707 -2.322 1.00 0.00 C ATOM 301 OD1 ASN A 24 -13.774 3.737 -1.231 1.00 0.00 O flip ATOM 302 ND2 ASN A 24 -15.305 2.790 -2.540 1.00 0.00 N flip ATOM 0 H ASN A 24 -11.808 3.797 -2.938 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.478 4.598 -5.230 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.268 5.782 -2.740 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -15.219 4.917 -3.931 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.868 2.792 -3.391 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -15.395 2.026 -1.871 1.00 0.00 H new ATOM 309 N VAL A 25 -12.083 6.771 -5.148 1.00 0.00 N ATOM 310 CA VAL A 25 -11.563 8.117 -4.984 1.00 0.00 C ATOM 311 C VAL A 25 -12.592 8.933 -4.214 1.00 0.00 C ATOM 312 O VAL A 25 -13.789 8.853 -4.490 1.00 0.00 O ATOM 313 CB VAL A 25 -11.190 8.726 -6.334 1.00 0.00 C ATOM 314 CG1 VAL A 25 -10.649 10.145 -6.140 1.00 0.00 C ATOM 315 CG2 VAL A 25 -10.120 7.828 -6.965 1.00 0.00 C ATOM 0 H VAL A 25 -12.274 6.487 -6.109 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.637 8.108 -4.408 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.064 8.789 -6.982 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.386 10.570 -7.109 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.412 10.764 -5.667 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.763 10.113 -5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.829 8.234 -7.934 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.248 7.787 -6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.521 6.823 -7.099 1.00 0.00 H new ATOM 325 N VAL A 26 -12.114 9.686 -3.230 1.00 0.00 N ATOM 326 CA VAL A 26 -12.937 10.557 -2.419 1.00 0.00 C ATOM 327 C VAL A 26 -12.876 11.956 -3.035 1.00 0.00 C ATOM 328 O VAL A 26 -13.914 12.568 -3.289 1.00 0.00 O ATOM 329 CB VAL A 26 -12.447 10.511 -0.954 1.00 0.00 C ATOM 330 CG1 VAL A 26 -13.360 11.397 -0.104 1.00 0.00 C ATOM 331 CG2 VAL A 26 -12.428 9.054 -0.410 1.00 0.00 C ATOM 0 H VAL A 26 -11.127 9.704 -2.974 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.979 10.239 -2.402 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.424 10.883 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.026 11.374 0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.322 12.421 -0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.384 11.028 -0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.079 9.056 0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.434 8.637 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.758 8.447 -1.019 1.00 0.00 H new ATOM 341 N ASN A 27 -11.660 12.461 -3.264 1.00 0.00 N ATOM 342 CA ASN A 27 -11.381 13.836 -3.655 1.00 0.00 C ATOM 343 C ASN A 27 -10.249 13.845 -4.674 1.00 0.00 C ATOM 344 O ASN A 27 -9.711 12.805 -5.053 1.00 0.00 O ATOM 345 CB ASN A 27 -10.945 14.666 -2.435 1.00 0.00 C ATOM 346 CG ASN A 27 -11.984 14.755 -1.341 1.00 0.00 C ATOM 347 OD1 ASN A 27 -13.131 15.115 -1.566 1.00 0.00 O ATOM 348 ND2 ASN A 27 -11.551 14.458 -0.131 1.00 0.00 N ATOM 0 H ASN A 27 -10.814 11.897 -3.177 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.287 14.268 -4.080 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -10.035 14.232 -2.021 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.696 15.674 -2.766 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -12.183 14.524 0.667 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -10.585 14.162 0.006 1.00 0.00 H new ATOM 355 N SER A 28 -9.816 15.037 -5.062 1.00 0.00 N ATOM 356 CA SER A 28 -8.725 15.215 -6.015 1.00 0.00 C ATOM 357 C SER A 28 -7.413 14.645 -5.473 1.00 0.00 C ATOM 358 O SER A 28 -6.618 14.147 -6.261 1.00 0.00 O ATOM 359 CB SER A 28 -8.535 16.683 -6.434 1.00 0.00 C ATOM 360 OG SER A 28 -9.188 17.638 -5.603 1.00 0.00 O ATOM 0 H SER A 28 -10.213 15.913 -4.723 1.00 0.00 H new ATOM 0 HA SER A 28 -9.009 14.657 -6.907 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.468 16.906 -6.448 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.899 16.803 -7.454 1.00 0.00 H new ATOM 0 HG SER A 28 -9.012 18.541 -5.941 1.00 0.00 H new ATOM 366 N THR A 29 -7.198 14.708 -4.156 1.00 0.00 N ATOM 367 CA THR A 29 -5.968 14.274 -3.500 1.00 0.00 C ATOM 368 C THR A 29 -6.315 13.419 -2.274 1.00 0.00 C ATOM 369 O THR A 29 -5.727 13.571 -1.197 1.00 0.00 O ATOM 370 CB THR A 29 -5.102 15.507 -3.177 1.00 0.00 C ATOM 371 OG1 THR A 29 -5.760 16.352 -2.252 1.00 0.00 O ATOM 372 CG2 THR A 29 -4.816 16.329 -4.436 1.00 0.00 C ATOM 0 H THR A 29 -7.893 15.071 -3.504 1.00 0.00 H new ATOM 0 HA THR A 29 -5.373 13.640 -4.157 1.00 0.00 H new ATOM 0 HB THR A 29 -4.168 15.136 -2.756 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.194 17.128 -2.058 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.203 17.192 -4.176 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.285 15.712 -5.161 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.756 16.669 -4.870 1.00 0.00 H new ATOM 380 N LEU A 30 -7.370 12.609 -2.382 1.00 0.00 N ATOM 381 CA LEU A 30 -7.738 11.611 -1.389 1.00 0.00 C ATOM 382 C LEU A 30 -8.471 10.466 -2.062 1.00 0.00 C ATOM 383 O LEU A 30 -9.353 10.699 -2.890 1.00 0.00 O ATOM 384 CB LEU A 30 -8.602 12.249 -0.292 1.00 0.00 C ATOM 385 CG LEU A 30 -8.659 11.516 1.035 1.00 0.00 C ATOM 386 CD1 LEU A 30 -9.749 10.464 1.068 1.00 0.00 C ATOM 387 CD2 LEU A 30 -7.264 11.098 1.525 1.00 0.00 C ATOM 0 H LEU A 30 -8.003 12.633 -3.182 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.836 11.217 -0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.232 13.258 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.619 12.347 -0.672 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.986 12.214 1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.747 9.969 2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.717 10.938 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.568 9.728 0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.354 10.577 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.804 10.436 0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.643 11.984 1.654 1.00 0.00 H new ATOM 399 N ALA A 31 -8.148 9.236 -1.688 1.00 0.00 N ATOM 400 CA ALA A 31 -8.830 8.043 -2.181 1.00 0.00 C ATOM 401 C ALA A 31 -8.851 7.017 -1.065 1.00 0.00 C ATOM 402 O ALA A 31 -7.847 6.863 -0.380 1.00 0.00 O ATOM 403 CB ALA A 31 -8.126 7.492 -3.428 1.00 0.00 C ATOM 0 H ALA A 31 -7.398 9.034 -1.027 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.851 8.288 -2.473 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.650 6.603 -3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.130 8.249 -4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.097 7.232 -3.180 1.00 0.00 H new ATOM 409 N GLU A 32 -9.969 6.324 -0.883 1.00 0.00 N ATOM 410 CA GLU A 32 -10.156 5.362 0.174 1.00 0.00 C ATOM 411 C GLU A 32 -10.079 3.989 -0.476 1.00 0.00 C ATOM 412 O GLU A 32 -10.811 3.711 -1.426 1.00 0.00 O ATOM 413 CB GLU A 32 -11.526 5.635 0.796 1.00 0.00 C ATOM 414 CG GLU A 32 -11.860 4.662 1.922 1.00 0.00 C ATOM 415 CD GLU A 32 -11.631 5.215 3.333 1.00 0.00 C ATOM 416 OE1 GLU A 32 -10.474 5.569 3.654 1.00 0.00 O ATOM 417 OE2 GLU A 32 -12.590 5.349 4.134 1.00 0.00 O ATOM 0 H GLU A 32 -10.785 6.425 -1.486 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.407 5.421 0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.550 6.654 1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.292 5.569 0.023 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.904 4.363 1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.258 3.762 1.797 1.00 0.00 H new ATOM 424 N VAL A 33 -9.199 3.139 0.027 1.00 0.00 N ATOM 425 CA VAL A 33 -9.049 1.751 -0.373 1.00 0.00 C ATOM 426 C VAL A 33 -9.792 0.933 0.676 1.00 0.00 C ATOM 427 O VAL A 33 -9.740 1.283 1.856 1.00 0.00 O ATOM 428 CB VAL A 33 -7.554 1.370 -0.417 1.00 0.00 C ATOM 429 CG1 VAL A 33 -7.383 -0.053 -0.952 1.00 0.00 C ATOM 430 CG2 VAL A 33 -6.728 2.297 -1.318 1.00 0.00 C ATOM 0 H VAL A 33 -8.541 3.410 0.758 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.451 1.568 -1.369 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.195 1.459 0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.323 -0.307 -0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.909 -0.752 -0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.795 -0.115 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.685 1.979 -1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.112 2.251 -2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.799 3.320 -0.949 1.00 0.00 H new ATOM 440 N HIS A 34 -10.414 -0.170 0.260 1.00 0.00 N ATOM 441 CA HIS A 34 -10.990 -1.157 1.170 1.00 0.00 C ATOM 442 C HIS A 34 -10.469 -2.541 0.814 1.00 0.00 C ATOM 443 O HIS A 34 -10.257 -2.857 -0.358 1.00 0.00 O ATOM 444 CB HIS A 34 -12.521 -1.180 1.107 1.00 0.00 C ATOM 445 CG HIS A 34 -13.211 0.114 1.446 1.00 0.00 C ATOM 446 ND1 HIS A 34 -13.939 0.373 2.585 1.00 0.00 N ATOM 447 CD2 HIS A 34 -13.315 1.201 0.627 1.00 0.00 C ATOM 448 CE1 HIS A 34 -14.488 1.591 2.440 1.00 0.00 C ATOM 449 NE2 HIS A 34 -14.154 2.131 1.251 1.00 0.00 N ATOM 0 H HIS A 34 -10.533 -0.404 -0.726 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.695 -0.876 2.181 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.820 -1.476 0.102 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -12.882 -1.951 1.787 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -12.835 1.322 -0.333 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -15.113 2.073 3.177 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -14.452 3.034 0.881 1.00 0.00 H new ATOM 457 N TRP A 35 -10.324 -3.387 1.822 1.00 0.00 N ATOM 458 CA TRP A 35 -10.068 -4.810 1.696 1.00 0.00 C ATOM 459 C TRP A 35 -10.973 -5.553 2.685 1.00 0.00 C ATOM 460 O TRP A 35 -11.838 -4.964 3.339 1.00 0.00 O ATOM 461 CB TRP A 35 -8.562 -5.092 1.857 1.00 0.00 C ATOM 462 CG TRP A 35 -7.911 -4.614 3.121 1.00 0.00 C ATOM 463 CD1 TRP A 35 -7.776 -5.333 4.259 1.00 0.00 C ATOM 464 CD2 TRP A 35 -7.326 -3.303 3.403 1.00 0.00 C ATOM 465 NE1 TRP A 35 -7.154 -4.560 5.218 1.00 0.00 N ATOM 466 CE2 TRP A 35 -6.870 -3.295 4.755 1.00 0.00 C ATOM 467 CE3 TRP A 35 -7.174 -2.104 2.672 1.00 0.00 C ATOM 468 CZ2 TRP A 35 -6.335 -2.149 5.366 1.00 0.00 C ATOM 469 CZ3 TRP A 35 -6.598 -0.962 3.258 1.00 0.00 C ATOM 470 CH2 TRP A 35 -6.162 -0.990 4.594 1.00 0.00 C ATOM 0 H TRP A 35 -10.385 -3.084 2.794 1.00 0.00 H new ATOM 0 HA TRP A 35 -10.318 -5.181 0.702 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.409 -6.169 1.784 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -8.040 -4.638 1.015 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.104 -6.353 4.396 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.931 -4.887 6.158 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.506 -2.063 1.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.062 -2.160 6.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.490 -0.058 2.677 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.693 -0.119 5.027 1.00 0.00 H new ATOM 481 N ASP A 36 -10.806 -6.867 2.784 1.00 0.00 N ATOM 482 CA ASP A 36 -11.637 -7.751 3.592 1.00 0.00 C ATOM 483 C ASP A 36 -10.748 -8.304 4.700 1.00 0.00 C ATOM 484 O ASP A 36 -9.607 -8.673 4.413 1.00 0.00 O ATOM 485 CB ASP A 36 -12.240 -8.873 2.738 1.00 0.00 C ATOM 486 CG ASP A 36 -13.489 -8.489 1.949 1.00 0.00 C ATOM 487 OD1 ASP A 36 -13.857 -7.294 1.912 1.00 0.00 O ATOM 488 OD2 ASP A 36 -14.097 -9.407 1.353 1.00 0.00 O ATOM 0 H ASP A 36 -10.065 -7.362 2.288 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.481 -7.209 4.019 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.481 -9.223 2.038 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.485 -9.712 3.389 1.00 0.00 H new ATOM 493 N PRO A 37 -11.224 -8.373 5.953 1.00 0.00 N ATOM 494 CA PRO A 37 -10.404 -8.728 7.102 1.00 0.00 C ATOM 495 C PRO A 37 -9.971 -10.176 7.054 1.00 0.00 C ATOM 496 O PRO A 37 -10.807 -11.070 7.191 1.00 0.00 O ATOM 497 CB PRO A 37 -11.219 -8.426 8.350 1.00 0.00 C ATOM 498 CG PRO A 37 -12.666 -8.431 7.841 1.00 0.00 C ATOM 499 CD PRO A 37 -12.584 -8.074 6.362 1.00 0.00 C ATOM 0 HA PRO A 37 -9.483 -8.145 7.103 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.063 -9.178 9.123 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.949 -7.463 8.783 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.128 -9.408 7.983 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -13.275 -7.709 8.385 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -13.302 -8.652 5.781 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.817 -7.021 6.201 1.00 0.00 H new ATOM 507 N VAL A 38 -8.675 -10.381 6.871 1.00 0.00 N ATOM 508 CA VAL A 38 -8.086 -11.640 6.632 1.00 0.00 C ATOM 509 C VAL A 38 -8.137 -12.499 7.903 1.00 0.00 C ATOM 510 O VAL A 38 -7.988 -11.971 9.011 1.00 0.00 O ATOM 511 CB VAL A 38 -6.675 -11.348 6.117 1.00 0.00 C ATOM 512 CG1 VAL A 38 -6.144 -12.360 5.158 1.00 0.00 C ATOM 513 CG2 VAL A 38 -6.652 -10.098 5.202 1.00 0.00 C ATOM 0 H VAL A 38 -7.994 -9.621 6.891 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.618 -12.231 5.886 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.105 -11.284 7.044 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.140 -12.073 4.845 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.109 -13.336 5.642 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.795 -12.411 4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.634 -9.920 4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.305 -10.263 4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.001 -9.231 5.762 1.00 0.00 H new ATOM 523 N PRO A 39 -8.359 -13.805 7.736 1.00 0.00 N ATOM 524 CA PRO A 39 -8.441 -14.798 8.798 1.00 0.00 C ATOM 525 C PRO A 39 -7.129 -14.912 9.573 1.00 0.00 C ATOM 526 O PRO A 39 -6.070 -15.090 8.956 1.00 0.00 O ATOM 527 CB PRO A 39 -8.770 -16.132 8.094 1.00 0.00 C ATOM 528 CG PRO A 39 -8.850 -15.816 6.597 1.00 0.00 C ATOM 529 CD PRO A 39 -8.178 -14.455 6.466 1.00 0.00 C ATOM 0 HA PRO A 39 -9.199 -14.521 9.530 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.001 -16.878 8.294 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.713 -16.541 8.457 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.337 -16.572 6.002 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.883 -15.785 6.251 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.120 -14.563 6.229 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.627 -13.873 5.661 1.00 0.00 H new ATOM 537 N LEU A 40 -7.181 -14.927 10.916 1.00 0.00 N ATOM 538 CA LEU A 40 -5.976 -15.126 11.738 1.00 0.00 C ATOM 539 C LEU A 40 -5.268 -16.438 11.438 1.00 0.00 C ATOM 540 O LEU A 40 -4.036 -16.462 11.429 1.00 0.00 O ATOM 541 CB LEU A 40 -6.277 -15.064 13.242 1.00 0.00 C ATOM 542 CG LEU A 40 -6.298 -13.622 13.792 1.00 0.00 C ATOM 543 CD1 LEU A 40 -7.726 -13.125 14.024 1.00 0.00 C ATOM 544 CD2 LEU A 40 -5.519 -13.566 15.109 1.00 0.00 C ATOM 0 H LEU A 40 -8.040 -14.804 11.453 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.317 -14.301 11.469 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.241 -15.535 13.434 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.527 -15.642 13.782 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.832 -12.973 13.050 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.698 -12.106 14.411 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.274 -13.140 13.082 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.224 -13.774 14.744 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.534 -12.548 15.497 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.980 -14.237 15.833 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.488 -13.873 14.935 1.00 0.00 H new ATOM 556 N LYS A 41 -6.013 -17.508 11.146 1.00 0.00 N ATOM 557 CA LYS A 41 -5.419 -18.793 10.799 1.00 0.00 C ATOM 558 C LYS A 41 -4.390 -18.677 9.680 1.00 0.00 C ATOM 559 O LYS A 41 -3.365 -19.352 9.718 1.00 0.00 O ATOM 560 CB LYS A 41 -6.530 -19.797 10.436 1.00 0.00 C ATOM 561 CG LYS A 41 -6.061 -21.262 10.490 1.00 0.00 C ATOM 562 CD LYS A 41 -5.869 -21.738 11.939 1.00 0.00 C ATOM 563 CE LYS A 41 -5.226 -23.121 12.026 1.00 0.00 C ATOM 564 NZ LYS A 41 -6.092 -24.194 11.519 1.00 0.00 N ATOM 0 H LYS A 41 -7.033 -17.505 11.144 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.878 -19.158 11.672 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.369 -19.665 11.120 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.898 -19.576 9.434 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.792 -21.898 9.991 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.123 -21.365 9.944 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.248 -21.019 12.474 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.836 -21.760 12.441 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.294 -23.118 11.461 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.969 -23.330 13.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.600 -25.107 11.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.972 -24.221 12.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.318 -24.015 10.520 1.00 0.00 H new ATOM 578 N SER A 42 -4.637 -17.802 8.712 1.00 0.00 N ATOM 579 CA SER A 42 -3.754 -17.573 7.586 1.00 0.00 C ATOM 580 C SER A 42 -2.795 -16.397 7.807 1.00 0.00 C ATOM 581 O SER A 42 -1.798 -16.315 7.094 1.00 0.00 O ATOM 582 CB SER A 42 -4.610 -17.448 6.330 1.00 0.00 C ATOM 583 OG SER A 42 -5.742 -16.633 6.548 1.00 0.00 O ATOM 0 H SER A 42 -5.476 -17.222 8.692 1.00 0.00 H new ATOM 0 HA SER A 42 -3.083 -18.423 7.466 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.011 -17.029 5.521 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.931 -18.439 6.009 1.00 0.00 H new ATOM 0 HG SER A 42 -6.214 -16.495 5.700 1.00 0.00 H new ATOM 589 N ILE A 43 -3.021 -15.542 8.814 1.00 0.00 N ATOM 590 CA ILE A 43 -1.989 -14.616 9.298 1.00 0.00 C ATOM 591 C ILE A 43 -0.865 -15.407 9.988 1.00 0.00 C ATOM 592 O ILE A 43 0.289 -14.988 9.908 1.00 0.00 O ATOM 593 CB ILE A 43 -2.576 -13.549 10.255 1.00 0.00 C ATOM 594 CG1 ILE A 43 -3.639 -12.687 9.545 1.00 0.00 C ATOM 595 CG2 ILE A 43 -1.482 -12.596 10.789 1.00 0.00 C ATOM 596 CD1 ILE A 43 -4.565 -11.918 10.497 1.00 0.00 C ATOM 0 H ILE A 43 -3.910 -15.473 9.309 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.580 -14.084 8.439 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.024 -14.098 11.083 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.135 -11.974 8.892 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.245 -13.330 8.907 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.933 -11.862 11.457 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.733 -13.171 11.334 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.007 -12.082 9.953 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.282 -11.337 9.917 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.099 -12.623 11.134 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.972 -11.246 11.118 1.00 0.00 H new ATOM 608 N ARG A 44 -1.185 -16.513 10.679 1.00 0.00 N ATOM 609 CA ARG A 44 -0.256 -17.330 11.476 1.00 0.00 C ATOM 610 C ARG A 44 0.433 -16.590 12.636 1.00 0.00 C ATOM 611 O ARG A 44 1.273 -17.193 13.309 1.00 0.00 O ATOM 612 CB ARG A 44 0.743 -18.076 10.561 1.00 0.00 C ATOM 613 CG ARG A 44 0.056 -19.206 9.761 1.00 0.00 C ATOM 614 CD ARG A 44 0.931 -20.462 9.611 1.00 0.00 C ATOM 615 NE ARG A 44 1.286 -21.016 10.933 1.00 0.00 N ATOM 616 CZ ARG A 44 0.432 -21.537 11.818 1.00 0.00 C ATOM 617 NH1 ARG A 44 -0.660 -22.167 11.393 1.00 0.00 N ATOM 618 NH2 ARG A 44 0.660 -21.396 13.117 1.00 0.00 N ATOM 0 H ARG A 44 -2.138 -16.877 10.698 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.874 -18.070 11.983 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.201 -17.368 9.870 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.546 -18.496 11.166 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.876 -19.478 10.256 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.206 -18.833 8.771 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.399 -21.214 9.028 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.838 -20.215 9.060 1.00 0.00 H new ATOM 0 HE ARG A 44 2.272 -20.999 11.194 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.844 -22.251 10.393 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.314 -22.566 12.067 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.486 -20.891 13.438 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.009 -21.793 13.795 1.00 0.00 H new ATOM 632 N GLY A 45 0.059 -15.342 12.932 1.00 0.00 N ATOM 633 CA GLY A 45 0.654 -14.540 13.992 1.00 0.00 C ATOM 634 C GLY A 45 -0.234 -13.346 14.325 1.00 0.00 C ATOM 635 O GLY A 45 -1.407 -13.309 13.938 1.00 0.00 O ATOM 0 H GLY A 45 -0.682 -14.855 12.428 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.797 -15.153 14.882 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.639 -14.192 13.682 1.00 0.00 H new ATOM 639 N HIS A 46 0.298 -12.381 15.074 1.00 0.00 N ATOM 640 CA HIS A 46 -0.266 -11.041 15.179 1.00 0.00 C ATOM 641 C HIS A 46 -0.048 -10.329 13.845 1.00 0.00 C ATOM 642 O HIS A 46 1.088 -10.126 13.408 1.00 0.00 O ATOM 643 CB HIS A 46 0.401 -10.253 16.319 1.00 0.00 C ATOM 644 CG HIS A 46 -0.284 -10.398 17.654 1.00 0.00 C ATOM 645 ND1 HIS A 46 -1.238 -9.536 18.140 1.00 0.00 N ATOM 646 CD2 HIS A 46 -0.028 -11.326 18.630 1.00 0.00 C ATOM 647 CE1 HIS A 46 -1.537 -9.906 19.393 1.00 0.00 C ATOM 648 NE2 HIS A 46 -0.856 -11.018 19.726 1.00 0.00 N ATOM 0 H HIS A 46 1.143 -12.512 15.631 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.330 -11.106 15.404 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.435 -10.582 16.416 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.427 -9.197 16.049 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.677 -12.141 18.569 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.226 -9.386 20.042 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -0.926 -11.536 20.602 1.00 0.00 H new ATOM 656 N LEU A 47 -1.151 -9.949 13.208 1.00 0.00 N ATOM 657 CA LEU A 47 -1.183 -9.046 12.073 1.00 0.00 C ATOM 658 C LEU A 47 -0.583 -7.722 12.516 1.00 0.00 C ATOM 659 O LEU A 47 -1.061 -7.103 13.468 1.00 0.00 O ATOM 660 CB LEU A 47 -2.637 -8.900 11.604 1.00 0.00 C ATOM 661 CG LEU A 47 -2.928 -7.918 10.456 1.00 0.00 C ATOM 662 CD1 LEU A 47 -3.114 -6.488 10.959 1.00 0.00 C ATOM 663 CD2 LEU A 47 -1.956 -8.016 9.281 1.00 0.00 C ATOM 0 H LEU A 47 -2.078 -10.276 13.481 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.602 -9.423 11.231 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.991 -9.885 11.299 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.237 -8.598 12.463 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.884 -8.236 10.039 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.317 -5.829 10.115 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.951 -6.454 11.656 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.206 -6.159 11.465 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.234 -7.290 8.517 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.944 -7.809 9.628 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.996 -9.020 8.858 1.00 0.00 H new ATOM 675 N GLN A 48 0.458 -7.298 11.811 1.00 0.00 N ATOM 676 CA GLN A 48 1.130 -6.029 12.045 1.00 0.00 C ATOM 677 C GLN A 48 0.435 -4.894 11.307 1.00 0.00 C ATOM 678 O GLN A 48 0.410 -3.763 11.792 1.00 0.00 O ATOM 679 CB GLN A 48 2.583 -6.134 11.565 1.00 0.00 C ATOM 680 CG GLN A 48 3.458 -6.889 12.562 1.00 0.00 C ATOM 681 CD GLN A 48 3.475 -6.184 13.914 1.00 0.00 C ATOM 682 OE1 GLN A 48 3.855 -5.020 14.030 1.00 0.00 O ATOM 683 NE2 GLN A 48 3.012 -6.849 14.952 1.00 0.00 N ATOM 0 H GLN A 48 0.865 -7.837 11.047 1.00 0.00 H new ATOM 0 HA GLN A 48 1.098 -5.812 13.113 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.611 -6.641 10.600 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.988 -5.134 11.411 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.085 -7.906 12.682 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.474 -6.966 12.175 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.700 -7.814 14.842 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.965 -6.399 15.866 1.00 0.00 H new ATOM 692 N GLY A 49 -0.140 -5.176 10.141 1.00 0.00 N ATOM 693 CA GLY A 49 -0.747 -4.167 9.310 1.00 0.00 C ATOM 694 C GLY A 49 -0.793 -4.613 7.872 1.00 0.00 C ATOM 695 O GLY A 49 -0.296 -5.684 7.506 1.00 0.00 O ATOM 0 H GLY A 49 -0.193 -6.118 9.754 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.757 -3.958 9.663 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.183 -3.237 9.389 1.00 0.00 H new ATOM 699 N TYR A 50 -1.313 -3.715 7.054 1.00 0.00 N ATOM 700 CA TYR A 50 -1.495 -3.885 5.630 1.00 0.00 C ATOM 701 C TYR A 50 -0.620 -2.844 4.942 1.00 0.00 C ATOM 702 O TYR A 50 -0.841 -1.641 5.080 1.00 0.00 O ATOM 703 CB TYR A 50 -2.990 -3.788 5.306 1.00 0.00 C ATOM 704 CG TYR A 50 -3.803 -4.908 5.942 1.00 0.00 C ATOM 705 CD1 TYR A 50 -3.958 -6.152 5.294 1.00 0.00 C ATOM 706 CD2 TYR A 50 -4.401 -4.700 7.200 1.00 0.00 C ATOM 707 CE1 TYR A 50 -4.725 -7.182 5.879 1.00 0.00 C ATOM 708 CE2 TYR A 50 -5.143 -5.737 7.792 1.00 0.00 C ATOM 709 CZ TYR A 50 -5.303 -6.985 7.153 1.00 0.00 C ATOM 710 OH TYR A 50 -6.001 -7.992 7.757 1.00 0.00 O ATOM 0 H TYR A 50 -1.634 -2.805 7.384 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.183 -4.864 5.265 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.371 -2.827 5.651 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.126 -3.815 4.225 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.484 -6.318 4.338 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.291 -3.752 7.706 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.869 -8.116 5.356 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.601 -5.575 8.757 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.329 -7.686 8.628 1.00 0.00 H new ATOM 720 N ARG A 51 0.415 -3.315 4.245 1.00 0.00 N ATOM 721 CA ARG A 51 1.354 -2.484 3.514 1.00 0.00 C ATOM 722 C ARG A 51 0.761 -2.284 2.131 1.00 0.00 C ATOM 723 O ARG A 51 0.653 -3.254 1.376 1.00 0.00 O ATOM 724 CB ARG A 51 2.734 -3.166 3.491 1.00 0.00 C ATOM 725 CG ARG A 51 3.789 -2.267 2.836 1.00 0.00 C ATOM 726 CD ARG A 51 5.224 -2.796 2.989 1.00 0.00 C ATOM 727 NE ARG A 51 5.691 -2.748 4.391 1.00 0.00 N ATOM 728 CZ ARG A 51 6.347 -3.711 5.057 1.00 0.00 C ATOM 729 NH1 ARG A 51 6.647 -4.866 4.486 1.00 0.00 N ATOM 730 NH2 ARG A 51 6.731 -3.525 6.313 1.00 0.00 N ATOM 0 H ARG A 51 0.623 -4.311 4.176 1.00 0.00 H new ATOM 0 HA ARG A 51 1.510 -1.511 3.979 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.040 -3.407 4.509 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.667 -4.108 2.947 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.559 -2.164 1.776 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.729 -1.271 3.274 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.271 -3.823 2.627 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.895 -2.207 2.364 1.00 0.00 H new ATOM 0 HE ARG A 51 5.493 -1.891 4.908 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.379 -5.041 3.518 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.146 -5.582 5.014 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.528 -2.643 6.783 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.229 -4.264 6.809 1.00 0.00 H new ATOM 744 N ILE A 52 0.304 -1.074 1.830 1.00 0.00 N ATOM 745 CA ILE A 52 -0.160 -0.712 0.499 1.00 0.00 C ATOM 746 C ILE A 52 1.091 -0.300 -0.278 1.00 0.00 C ATOM 747 O ILE A 52 1.787 0.616 0.158 1.00 0.00 O ATOM 748 CB ILE A 52 -1.244 0.400 0.597 1.00 0.00 C ATOM 749 CG1 ILE A 52 -2.546 -0.207 1.180 1.00 0.00 C ATOM 750 CG2 ILE A 52 -1.522 1.085 -0.754 1.00 0.00 C ATOM 751 CD1 ILE A 52 -3.812 0.662 1.069 1.00 0.00 C ATOM 0 H ILE A 52 0.245 -0.314 2.507 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.651 -1.532 -0.025 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.864 1.177 1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.737 -1.155 0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.377 -0.433 2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.286 1.851 -0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.606 1.546 -1.124 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.871 0.344 -1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.657 0.133 1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.656 1.602 1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.021 0.868 0.019 1.00 0.00 H new ATOM 763 N TYR A 53 1.383 -0.942 -1.410 1.00 0.00 N ATOM 764 CA TYR A 53 2.225 -0.341 -2.446 1.00 0.00 C ATOM 765 C TYR A 53 1.295 0.372 -3.418 1.00 0.00 C ATOM 766 O TYR A 53 0.119 0.023 -3.492 1.00 0.00 O ATOM 767 CB TYR A 53 3.087 -1.393 -3.165 1.00 0.00 C ATOM 768 CG TYR A 53 4.300 -1.839 -2.369 1.00 0.00 C ATOM 769 CD1 TYR A 53 4.129 -2.676 -1.248 1.00 0.00 C ATOM 770 CD2 TYR A 53 5.596 -1.413 -2.735 1.00 0.00 C ATOM 771 CE1 TYR A 53 5.235 -3.064 -0.474 1.00 0.00 C ATOM 772 CE2 TYR A 53 6.706 -1.793 -1.958 1.00 0.00 C ATOM 773 CZ TYR A 53 6.524 -2.598 -0.810 1.00 0.00 C ATOM 774 OH TYR A 53 7.585 -2.915 -0.019 1.00 0.00 O ATOM 0 H TYR A 53 1.048 -1.879 -1.633 1.00 0.00 H new ATOM 0 HA TYR A 53 2.928 0.362 -1.999 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.470 -2.264 -3.388 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.420 -0.985 -4.119 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.141 -3.021 -0.982 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.735 -0.796 -3.611 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.099 -3.717 0.376 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.697 -1.470 -2.239 1.00 0.00 H new ATOM 0 HH TYR A 53 8.400 -2.517 -0.390 1.00 0.00 H new ATOM 784 N TYR A 54 1.786 1.410 -4.094 1.00 0.00 N ATOM 785 CA TYR A 54 1.099 2.166 -5.125 1.00 0.00 C ATOM 786 C TYR A 54 2.121 2.926 -5.965 1.00 0.00 C ATOM 787 O TYR A 54 3.256 3.150 -5.523 1.00 0.00 O ATOM 788 CB TYR A 54 0.080 3.122 -4.481 1.00 0.00 C ATOM 789 CG TYR A 54 0.680 4.183 -3.588 1.00 0.00 C ATOM 790 CD1 TYR A 54 1.061 3.809 -2.291 1.00 0.00 C ATOM 791 CD2 TYR A 54 0.813 5.516 -4.017 1.00 0.00 C ATOM 792 CE1 TYR A 54 1.563 4.769 -1.405 1.00 0.00 C ATOM 793 CE2 TYR A 54 1.314 6.488 -3.128 1.00 0.00 C ATOM 794 CZ TYR A 54 1.667 6.116 -1.812 1.00 0.00 C ATOM 795 OH TYR A 54 2.138 7.037 -0.931 1.00 0.00 O ATOM 0 H TYR A 54 2.728 1.761 -3.922 1.00 0.00 H new ATOM 0 HA TYR A 54 0.554 1.487 -5.781 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.487 3.612 -5.272 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.629 2.535 -3.897 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.967 2.780 -1.976 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.533 5.793 -5.022 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.870 4.479 -0.411 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.427 7.512 -3.451 1.00 0.00 H new ATOM 0 HH TYR A 54 2.153 7.920 -1.357 1.00 0.00 H new ATOM 805 N TRP A 55 1.741 3.328 -7.176 1.00 0.00 N ATOM 806 CA TRP A 55 2.543 4.193 -8.028 1.00 0.00 C ATOM 807 C TRP A 55 1.648 5.066 -8.909 1.00 0.00 C ATOM 808 O TRP A 55 0.531 4.669 -9.258 1.00 0.00 O ATOM 809 CB TRP A 55 3.520 3.332 -8.836 1.00 0.00 C ATOM 810 CG TRP A 55 2.946 2.322 -9.779 1.00 0.00 C ATOM 811 CD1 TRP A 55 2.582 2.563 -11.058 1.00 0.00 C ATOM 812 CD2 TRP A 55 2.705 0.900 -9.554 1.00 0.00 C ATOM 813 NE1 TRP A 55 2.108 1.403 -11.631 1.00 0.00 N ATOM 814 CE2 TRP A 55 2.145 0.347 -10.744 1.00 0.00 C ATOM 815 CE3 TRP A 55 2.915 0.015 -8.474 1.00 0.00 C ATOM 816 CZ2 TRP A 55 1.797 -1.008 -10.845 1.00 0.00 C ATOM 817 CZ3 TRP A 55 2.581 -1.348 -8.575 1.00 0.00 C ATOM 818 CH2 TRP A 55 2.020 -1.857 -9.754 1.00 0.00 C ATOM 0 H TRP A 55 0.852 3.056 -7.596 1.00 0.00 H new ATOM 0 HA TRP A 55 3.129 4.881 -7.419 1.00 0.00 H new ATOM 0 HB2 TRP A 55 4.159 4.002 -9.411 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.163 2.805 -8.131 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.652 3.519 -11.555 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.772 1.334 -12.591 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.339 0.391 -7.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 1.361 -1.393 -11.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 2.758 -2.007 -7.738 1.00 0.00 H new ATOM 0 HH2 TRP A 55 1.760 -2.903 -9.821 1.00 0.00 H new ATOM 829 N LYS A 56 2.156 6.240 -9.311 1.00 0.00 N ATOM 830 CA LYS A 56 1.488 7.111 -10.275 1.00 0.00 C ATOM 831 C LYS A 56 1.556 6.365 -11.592 1.00 0.00 C ATOM 832 O LYS A 56 2.636 5.997 -12.063 1.00 0.00 O ATOM 833 CB LYS A 56 2.193 8.483 -10.344 1.00 0.00 C ATOM 834 CG LYS A 56 1.694 9.453 -11.441 1.00 0.00 C ATOM 835 CD LYS A 56 0.672 10.510 -10.996 1.00 0.00 C ATOM 836 CE LYS A 56 0.537 11.659 -12.014 1.00 0.00 C ATOM 837 NZ LYS A 56 1.665 12.619 -11.959 1.00 0.00 N ATOM 0 H LYS A 56 3.045 6.609 -8.973 1.00 0.00 H new ATOM 0 HA LYS A 56 0.455 7.326 -10.001 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.083 8.974 -9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.259 8.313 -10.496 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.558 9.967 -11.863 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.251 8.864 -12.244 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.300 10.036 -10.856 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.971 10.917 -10.030 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.472 11.241 -13.019 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.396 12.192 -11.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.580 13.299 -12.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.643 13.129 -11.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.564 12.103 -12.044 1.00 0.00 H new ATOM 851 N THR A 57 0.390 6.047 -12.133 1.00 0.00 N ATOM 852 CA THR A 57 0.312 5.380 -13.411 1.00 0.00 C ATOM 853 C THR A 57 0.264 6.484 -14.465 1.00 0.00 C ATOM 854 O THR A 57 -0.325 7.544 -14.250 1.00 0.00 O ATOM 855 CB THR A 57 -0.898 4.440 -13.391 1.00 0.00 C ATOM 856 OG1 THR A 57 -0.767 3.586 -12.264 1.00 0.00 O ATOM 857 CG2 THR A 57 -0.986 3.563 -14.639 1.00 0.00 C ATOM 0 H THR A 57 -0.513 6.243 -11.701 1.00 0.00 H new ATOM 0 HA THR A 57 1.166 4.744 -13.643 1.00 0.00 H new ATOM 0 HB THR A 57 -1.798 5.054 -13.351 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.183 3.420 -12.088 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.862 2.918 -14.569 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.070 4.195 -15.523 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.089 2.949 -14.716 1.00 0.00 H new ATOM 1096 N LYS A 71 5.698 4.134 -4.323 1.00 0.00 N ATOM 1097 CA LYS A 71 5.596 4.432 -2.903 1.00 0.00 C ATOM 1098 C LYS A 71 4.986 3.276 -2.127 1.00 0.00 C ATOM 1099 O LYS A 71 4.500 2.298 -2.699 1.00 0.00 O ATOM 1100 CB LYS A 71 4.760 5.712 -2.728 1.00 0.00 C ATOM 1101 CG LYS A 71 5.601 6.973 -2.544 1.00 0.00 C ATOM 1102 CD LYS A 71 6.243 6.979 -1.155 1.00 0.00 C ATOM 1103 CE LYS A 71 7.055 8.248 -0.899 1.00 0.00 C ATOM 1104 NZ LYS A 71 7.194 8.508 0.547 1.00 0.00 N ATOM 0 HA LYS A 71 6.597 4.585 -2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.118 5.838 -3.600 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.106 5.593 -1.864 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.374 7.019 -3.311 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.976 7.857 -2.668 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.465 6.889 -0.397 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.891 6.108 -1.052 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.042 8.149 -1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.569 9.097 -1.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.749 9.375 0.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.252 8.626 0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.679 7.707 0.999 1.00 0.00 H new ATOM 1118 N ILE A 72 5.037 3.411 -0.802 1.00 0.00 N ATOM 1119 CA ILE A 72 4.485 2.489 0.169 1.00 0.00 C ATOM 1120 C ILE A 72 3.684 3.329 1.167 1.00 0.00 C ATOM 1121 O ILE A 72 4.056 4.469 1.453 1.00 0.00 O ATOM 1122 CB ILE A 72 5.625 1.703 0.859 1.00 0.00 C ATOM 1123 CG1 ILE A 72 6.540 0.960 -0.143 1.00 0.00 C ATOM 1124 CG2 ILE A 72 5.061 0.654 1.826 1.00 0.00 C ATOM 1125 CD1 ILE A 72 7.867 1.677 -0.387 1.00 0.00 C ATOM 0 H ILE A 72 5.490 4.212 -0.362 1.00 0.00 H new ATOM 0 HA ILE A 72 3.835 1.749 -0.298 1.00 0.00 H new ATOM 0 HB ILE A 72 6.212 2.453 1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.740 -0.044 0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.015 0.848 -1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.883 0.115 2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.464 1.149 2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.435 -0.049 1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.464 1.106 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.675 2.671 -0.790 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.411 1.766 0.553 1.00 0.00 H new ATOM 1137 N LEU A 73 2.614 2.771 1.723 1.00 0.00 N ATOM 1138 CA LEU A 73 1.801 3.326 2.799 1.00 0.00 C ATOM 1139 C LEU A 73 1.637 2.243 3.864 1.00 0.00 C ATOM 1140 O LEU A 73 1.617 1.048 3.550 1.00 0.00 O ATOM 1141 CB LEU A 73 0.442 3.816 2.248 1.00 0.00 C ATOM 1142 CG LEU A 73 0.311 5.352 2.332 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -0.476 5.943 1.175 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -0.470 5.804 3.552 1.00 0.00 C ATOM 0 H LEU A 73 2.270 1.862 1.415 1.00 0.00 H new ATOM 0 HA LEU A 73 2.284 4.195 3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.334 3.498 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.368 3.351 2.810 1.00 0.00 H new ATOM 0 HG LEU A 73 1.348 5.689 2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.534 7.025 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.023 5.704 0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.482 5.524 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.532 6.892 3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.475 5.384 3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.035 5.461 4.455 1.00 0.00 H new ATOM 1156 N THR A 74 1.550 2.659 5.125 1.00 0.00 N ATOM 1157 CA THR A 74 1.708 1.789 6.284 1.00 0.00 C ATOM 1158 C THR A 74 0.422 1.832 7.110 1.00 0.00 C ATOM 1159 O THR A 74 0.268 2.674 7.998 1.00 0.00 O ATOM 1160 CB THR A 74 2.947 2.245 7.077 1.00 0.00 C ATOM 1161 OG1 THR A 74 4.092 2.248 6.234 1.00 0.00 O ATOM 1162 CG2 THR A 74 3.240 1.389 8.315 1.00 0.00 C ATOM 0 H THR A 74 1.364 3.631 5.373 1.00 0.00 H new ATOM 0 HA THR A 74 1.871 0.752 5.991 1.00 0.00 H new ATOM 0 HB THR A 74 2.721 3.251 7.431 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.875 2.541 6.746 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.126 1.772 8.821 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.389 1.429 8.995 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.413 0.357 8.011 1.00 0.00 H new ATOM 1170 N PHE A 75 -0.509 0.920 6.836 1.00 0.00 N ATOM 1171 CA PHE A 75 -1.728 0.799 7.622 1.00 0.00 C ATOM 1172 C PHE A 75 -1.489 -0.250 8.686 1.00 0.00 C ATOM 1173 O PHE A 75 -1.925 -1.392 8.562 1.00 0.00 O ATOM 1174 CB PHE A 75 -2.945 0.543 6.725 1.00 0.00 C ATOM 1175 CG PHE A 75 -3.242 1.776 5.910 1.00 0.00 C ATOM 1176 CD1 PHE A 75 -3.721 2.922 6.571 1.00 0.00 C ATOM 1177 CD2 PHE A 75 -2.884 1.839 4.552 1.00 0.00 C ATOM 1178 CE1 PHE A 75 -3.819 4.140 5.888 1.00 0.00 C ATOM 1179 CE2 PHE A 75 -2.980 3.061 3.867 1.00 0.00 C ATOM 1180 CZ PHE A 75 -3.428 4.205 4.544 1.00 0.00 C ATOM 0 H PHE A 75 -0.438 0.251 6.069 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.971 1.733 8.129 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.752 -0.303 6.066 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.810 0.281 7.335 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.014 2.862 7.609 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.538 0.954 4.039 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.192 5.020 6.391 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.710 3.120 2.823 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.472 5.149 4.022 1.00 0.00 H new ATOM 1190 N GLN A 76 -0.756 0.138 9.729 1.00 0.00 N ATOM 1191 CA GLN A 76 -0.515 -0.732 10.863 1.00 0.00 C ATOM 1192 C GLN A 76 -1.832 -0.970 11.608 1.00 0.00 C ATOM 1193 O GLN A 76 -2.649 -0.054 11.747 1.00 0.00 O ATOM 1194 CB GLN A 76 0.593 -0.147 11.758 1.00 0.00 C ATOM 1195 CG GLN A 76 0.144 1.084 12.558 1.00 0.00 C ATOM 1196 CD GLN A 76 1.245 2.122 12.691 1.00 0.00 C ATOM 1197 OE1 GLN A 76 1.201 3.147 12.020 1.00 0.00 O ATOM 1198 NE2 GLN A 76 2.238 1.877 13.523 1.00 0.00 N ATOM 0 H GLN A 76 -0.319 1.057 9.805 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.154 -1.704 10.527 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.935 -0.916 12.450 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.446 0.124 11.137 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.720 1.535 12.070 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.178 0.771 13.551 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.246 1.015 14.068 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.998 2.550 13.622 1.00 0.00 H new ATOM 1207 N GLY A 77 -2.006 -2.171 12.142 1.00 0.00 N ATOM 1208 CA GLY A 77 -3.227 -2.606 12.806 1.00 0.00 C ATOM 1209 C GLY A 77 -4.201 -3.300 11.848 1.00 0.00 C ATOM 1210 O GLY A 77 -4.053 -3.248 10.627 1.00 0.00 O ATOM 0 H GLY A 77 -1.282 -2.889 12.125 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.972 -3.288 13.617 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.718 -1.744 13.257 1.00 0.00 H new ATOM 1214 N SER A 78 -5.211 -3.953 12.416 1.00 0.00 N ATOM 1215 CA SER A 78 -6.131 -4.894 11.776 1.00 0.00 C ATOM 1216 C SER A 78 -7.268 -4.250 10.959 1.00 0.00 C ATOM 1217 O SER A 78 -8.242 -4.936 10.624 1.00 0.00 O ATOM 1218 CB SER A 78 -6.654 -5.838 12.869 1.00 0.00 C ATOM 1219 OG SER A 78 -5.618 -6.268 13.745 1.00 0.00 O ATOM 0 H SER A 78 -5.425 -3.831 13.406 1.00 0.00 H new ATOM 0 HA SER A 78 -5.578 -5.443 11.014 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.428 -5.331 13.445 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.120 -6.707 12.404 1.00 0.00 H new ATOM 0 HG SER A 78 -5.992 -6.865 14.426 1.00 0.00 H new ATOM 1225 N LYS A 79 -7.145 -2.965 10.607 1.00 0.00 N ATOM 1226 CA LYS A 79 -8.066 -2.221 9.744 1.00 0.00 C ATOM 1227 C LYS A 79 -8.380 -2.942 8.440 1.00 0.00 C ATOM 1228 O LYS A 79 -7.649 -3.836 8.007 1.00 0.00 O ATOM 1229 CB LYS A 79 -7.498 -0.831 9.426 1.00 0.00 C ATOM 1230 CG LYS A 79 -6.057 -0.823 8.889 1.00 0.00 C ATOM 1231 CD LYS A 79 -5.112 -0.200 9.917 1.00 0.00 C ATOM 1232 CE LYS A 79 -5.272 1.323 9.946 1.00 0.00 C ATOM 1233 NZ LYS A 79 -4.766 1.897 11.205 1.00 0.00 N ATOM 0 H LYS A 79 -6.366 -2.391 10.931 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.998 -2.132 10.302 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.145 -0.350 8.693 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.536 -0.224 10.331 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -5.740 -1.841 8.663 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.012 -0.261 7.956 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.319 -0.611 10.905 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.081 -0.458 9.674 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.737 1.762 9.104 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.324 1.581 9.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.445 2.872 11.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.526 1.900 11.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.970 1.325 11.552 1.00 0.00 H new ATOM 1247 N THR A 80 -9.448 -2.490 7.792 1.00 0.00 N ATOM 1248 CA THR A 80 -9.910 -3.008 6.510 1.00 0.00 C ATOM 1249 C THR A 80 -10.058 -1.928 5.448 1.00 0.00 C ATOM 1250 O THR A 80 -10.561 -2.190 4.360 1.00 0.00 O ATOM 1251 CB THR A 80 -11.150 -3.871 6.715 1.00 0.00 C ATOM 1252 OG1 THR A 80 -11.996 -3.415 7.757 1.00 0.00 O ATOM 1253 CG2 THR A 80 -10.683 -5.252 7.150 1.00 0.00 C ATOM 0 H THR A 80 -10.031 -1.735 8.153 1.00 0.00 H new ATOM 0 HA THR A 80 -9.137 -3.657 6.099 1.00 0.00 H new ATOM 0 HB THR A 80 -11.704 -3.850 5.777 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.771 -4.010 7.834 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.548 -5.896 7.306 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.046 -5.681 6.377 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.120 -5.170 8.080 1.00 0.00 H new ATOM 1261 N HIS A 81 -9.578 -0.727 5.742 1.00 0.00 N ATOM 1262 CA HIS A 81 -9.515 0.380 4.810 1.00 0.00 C ATOM 1263 C HIS A 81 -8.308 1.245 5.150 1.00 0.00 C ATOM 1264 O HIS A 81 -7.731 1.130 6.239 1.00 0.00 O ATOM 1265 CB HIS A 81 -10.834 1.174 4.814 1.00 0.00 C ATOM 1266 CG HIS A 81 -11.371 1.595 6.169 1.00 0.00 C ATOM 1267 ND1 HIS A 81 -10.777 1.443 7.397 1.00 0.00 N flip ATOM 1268 CD2 HIS A 81 -12.617 2.136 6.391 1.00 0.00 C flip ATOM 1269 CE1 HIS A 81 -11.702 1.819 8.373 1.00 0.00 C flip ATOM 1270 NE2 HIS A 81 -12.778 2.284 7.715 1.00 0.00 N flip ATOM 0 H HIS A 81 -9.212 -0.494 6.665 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.389 0.007 3.794 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.693 2.070 4.210 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.595 0.572 4.318 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -13.340 2.396 5.632 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.578 1.750 9.444 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -13.601 2.692 8.159 1.00 0.00 H new ATOM 1278 N GLY A 82 -7.918 2.094 4.209 1.00 0.00 N ATOM 1279 CA GLY A 82 -6.805 3.011 4.335 1.00 0.00 C ATOM 1280 C GLY A 82 -6.939 4.084 3.266 1.00 0.00 C ATOM 1281 O GLY A 82 -7.710 3.933 2.317 1.00 0.00 O ATOM 0 H GLY A 82 -8.388 2.162 3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.798 3.463 5.327 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.861 2.478 4.221 1.00 0.00 H new ATOM 1285 N MET A 83 -6.178 5.162 3.418 1.00 0.00 N ATOM 1286 CA MET A 83 -6.328 6.378 2.646 1.00 0.00 C ATOM 1287 C MET A 83 -5.120 6.552 1.733 1.00 0.00 C ATOM 1288 O MET A 83 -4.000 6.210 2.106 1.00 0.00 O ATOM 1289 CB MET A 83 -6.425 7.566 3.616 1.00 0.00 C ATOM 1290 CG MET A 83 -7.482 7.386 4.720 1.00 0.00 C ATOM 1291 SD MET A 83 -7.926 8.893 5.620 1.00 0.00 S ATOM 1292 CE MET A 83 -8.812 9.809 4.334 1.00 0.00 C ATOM 0 H MET A 83 -5.422 5.210 4.101 1.00 0.00 H new ATOM 0 HA MET A 83 -7.229 6.327 2.035 1.00 0.00 H new ATOM 0 HB2 MET A 83 -5.452 7.723 4.081 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.656 8.467 3.049 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.385 6.971 4.272 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.114 6.650 5.435 1.00 0.00 H new ATOM 0 HE1 MET A 83 -8.371 10.800 4.224 1.00 0.00 H new ATOM 0 HE2 MET A 83 -8.739 9.272 3.388 1.00 0.00 H new ATOM 0 HE3 MET A 83 -9.861 9.908 4.615 1.00 0.00 H new ATOM 1302 N LEU A 84 -5.301 7.195 0.588 1.00 0.00 N ATOM 1303 CA LEU A 84 -4.227 7.677 -0.265 1.00 0.00 C ATOM 1304 C LEU A 84 -4.314 9.206 -0.293 1.00 0.00 C ATOM 1305 O LEU A 84 -4.880 9.762 -1.234 1.00 0.00 O ATOM 1306 CB LEU A 84 -4.301 7.016 -1.665 1.00 0.00 C ATOM 1307 CG LEU A 84 -3.452 5.747 -1.884 1.00 0.00 C ATOM 1308 CD1 LEU A 84 -1.950 5.981 -1.749 1.00 0.00 C ATOM 1309 CD2 LEU A 84 -3.817 4.598 -0.956 1.00 0.00 C ATOM 0 H LEU A 84 -6.228 7.401 0.217 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.248 7.398 0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.343 6.766 -1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.001 7.757 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.689 5.477 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.419 5.044 -1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.629 6.717 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.728 6.350 -0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.178 3.741 -1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.675 4.908 0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.860 4.321 -1.113 1.00 0.00 H new ATOM 1321 N PRO A 85 -3.812 9.909 0.739 1.00 0.00 N ATOM 1322 CA PRO A 85 -3.572 11.343 0.681 1.00 0.00 C ATOM 1323 C PRO A 85 -2.177 11.626 0.099 1.00 0.00 C ATOM 1324 O PRO A 85 -1.301 10.753 0.123 1.00 0.00 O ATOM 1325 CB PRO A 85 -3.630 11.795 2.142 1.00 0.00 C ATOM 1326 CG PRO A 85 -3.016 10.609 2.887 1.00 0.00 C ATOM 1327 CD PRO A 85 -3.435 9.399 2.051 1.00 0.00 C ATOM 0 HA PRO A 85 -4.294 11.862 0.050 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.064 12.712 2.305 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.653 11.990 2.465 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.931 10.695 2.951 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.391 10.540 3.908 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.617 8.684 1.968 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.270 8.876 2.518 1.00 0.00 H new ATOM 1335 N GLY A 86 -1.939 12.858 -0.354 1.00 0.00 N ATOM 1336 CA GLY A 86 -0.658 13.288 -0.920 1.00 0.00 C ATOM 1337 C GLY A 86 -0.491 12.915 -2.395 1.00 0.00 C ATOM 1338 O GLY A 86 0.628 12.907 -2.899 1.00 0.00 O ATOM 0 H GLY A 86 -2.642 13.597 -0.338 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.566 14.369 -0.813 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.153 12.841 -0.345 1.00 0.00 H new ATOM 1342 N LEU A 87 -1.584 12.549 -3.069 1.00 0.00 N ATOM 1343 CA LEU A 87 -1.623 12.139 -4.471 1.00 0.00 C ATOM 1344 C LEU A 87 -1.944 13.360 -5.330 1.00 0.00 C ATOM 1345 O LEU A 87 -2.336 14.397 -4.794 1.00 0.00 O ATOM 1346 CB LEU A 87 -2.729 11.089 -4.676 1.00 0.00 C ATOM 1347 CG LEU A 87 -2.491 9.665 -4.148 1.00 0.00 C ATOM 1348 CD1 LEU A 87 -1.605 8.828 -5.057 1.00 0.00 C ATOM 1349 CD2 LEU A 87 -1.887 9.627 -2.751 1.00 0.00 C ATOM 0 H LEU A 87 -2.505 12.530 -2.631 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.659 11.714 -4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.638 11.469 -4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.926 11.018 -5.746 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.494 9.238 -4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.477 7.835 -4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.070 8.741 -6.039 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.631 9.308 -5.158 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.747 8.591 -2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.924 10.137 -2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.557 10.126 -2.051 1.00 0.00 H new ATOM 1361 N GLU A 88 -1.844 13.215 -6.650 1.00 0.00 N ATOM 1362 CA GLU A 88 -2.259 14.222 -7.624 1.00 0.00 C ATOM 1363 C GLU A 88 -3.656 13.889 -8.165 1.00 0.00 C ATOM 1364 O GLU A 88 -4.071 12.725 -8.137 1.00 0.00 O ATOM 1365 CB GLU A 88 -1.261 14.302 -8.799 1.00 0.00 C ATOM 1366 CG GLU A 88 0.094 14.897 -8.402 1.00 0.00 C ATOM 1367 CD GLU A 88 0.958 15.204 -9.632 1.00 0.00 C ATOM 1368 OE1 GLU A 88 0.707 16.231 -10.303 1.00 0.00 O ATOM 1369 OE2 GLU A 88 1.929 14.465 -9.926 1.00 0.00 O ATOM 0 H GLU A 88 -1.463 12.373 -7.082 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.282 15.188 -7.119 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.106 13.302 -9.204 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.696 14.905 -9.596 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.063 15.811 -7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.621 14.200 -7.751 1.00 0.00 H new ATOM 1376 N PRO A 89 -4.374 14.903 -8.672 1.00 0.00 N ATOM 1377 CA PRO A 89 -5.597 14.742 -9.437 1.00 0.00 C ATOM 1378 C PRO A 89 -5.339 14.434 -10.926 1.00 0.00 C ATOM 1379 O PRO A 89 -4.200 14.439 -11.411 1.00 0.00 O ATOM 1380 CB PRO A 89 -6.346 16.057 -9.260 1.00 0.00 C ATOM 1381 CG PRO A 89 -5.286 17.094 -8.894 1.00 0.00 C ATOM 1382 CD PRO A 89 -4.050 16.309 -8.499 1.00 0.00 C ATOM 0 HA PRO A 89 -6.170 13.886 -9.081 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.867 16.337 -10.176 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.100 15.975 -8.477 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -5.077 17.752 -9.737 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -5.626 17.726 -8.073 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.199 16.589 -9.120 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.773 16.518 -7.466 1.00 0.00 H new ATOM 1390 N PHE A 90 -6.450 14.223 -11.645 1.00 0.00 N ATOM 1391 CA PHE A 90 -6.574 13.929 -13.072 1.00 0.00 C ATOM 1392 C PHE A 90 -5.456 12.995 -13.563 1.00 0.00 C ATOM 1393 O PHE A 90 -4.662 13.317 -14.446 1.00 0.00 O ATOM 1394 CB PHE A 90 -6.738 15.245 -13.853 1.00 0.00 C ATOM 1395 CG PHE A 90 -7.174 15.045 -15.296 1.00 0.00 C ATOM 1396 CD1 PHE A 90 -8.514 14.731 -15.591 1.00 0.00 C ATOM 1397 CD2 PHE A 90 -6.238 15.132 -16.345 1.00 0.00 C ATOM 1398 CE1 PHE A 90 -8.911 14.478 -16.915 1.00 0.00 C ATOM 1399 CE2 PHE A 90 -6.635 14.883 -17.671 1.00 0.00 C ATOM 1400 CZ PHE A 90 -7.970 14.545 -17.954 1.00 0.00 C ATOM 0 H PHE A 90 -7.366 14.258 -11.198 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.480 13.353 -13.263 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.471 15.871 -13.344 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -5.792 15.786 -13.840 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.242 14.684 -14.794 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.212 15.391 -16.130 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.940 14.232 -17.133 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.914 14.951 -18.472 1.00 0.00 H new ATOM 0 HZ PHE A 90 -8.271 14.337 -18.970 1.00 0.00 H new ATOM 1410 N SER A 91 -5.363 11.826 -12.935 1.00 0.00 N ATOM 1411 CA SER A 91 -4.402 10.770 -13.215 1.00 0.00 C ATOM 1412 C SER A 91 -5.031 9.417 -12.876 1.00 0.00 C ATOM 1413 O SER A 91 -5.954 9.349 -12.054 1.00 0.00 O ATOM 1414 CB SER A 91 -3.165 10.992 -12.337 1.00 0.00 C ATOM 1415 OG SER A 91 -2.493 12.186 -12.691 1.00 0.00 O ATOM 0 H SER A 91 -5.995 11.579 -12.173 1.00 0.00 H new ATOM 0 HA SER A 91 -4.120 10.785 -14.268 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.463 11.036 -11.289 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.486 10.145 -12.440 1.00 0.00 H new ATOM 0 HG SER A 91 -2.976 12.955 -12.322 1.00 0.00 H new ATOM 1421 N HIS A 92 -4.509 8.342 -13.472 1.00 0.00 N ATOM 1422 CA HIS A 92 -4.760 6.980 -13.028 1.00 0.00 C ATOM 1423 C HIS A 92 -3.673 6.610 -12.015 1.00 0.00 C ATOM 1424 O HIS A 92 -2.533 7.076 -12.107 1.00 0.00 O ATOM 1425 CB HIS A 92 -4.771 6.027 -14.244 1.00 0.00 C ATOM 1426 CG HIS A 92 -5.738 4.863 -14.169 1.00 0.00 C ATOM 1427 ND1 HIS A 92 -5.608 3.650 -14.810 1.00 0.00 N ATOM 1428 CD2 HIS A 92 -6.985 4.881 -13.608 1.00 0.00 C ATOM 1429 CE1 HIS A 92 -6.745 2.956 -14.608 1.00 0.00 C ATOM 1430 NE2 HIS A 92 -7.622 3.669 -13.881 1.00 0.00 N ATOM 0 H HIS A 92 -3.895 8.400 -14.284 1.00 0.00 H new ATOM 0 HA HIS A 92 -5.735 6.893 -12.548 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -5.004 6.610 -15.135 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.765 5.629 -14.378 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -7.408 5.700 -13.045 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -6.927 1.959 -14.981 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.557 3.384 -13.590 1.00 0.00 H new ATOM 1438 N TYR A 93 -4.005 5.732 -11.080 1.00 0.00 N ATOM 1439 CA TYR A 93 -3.092 5.183 -10.096 1.00 0.00 C ATOM 1440 C TYR A 93 -3.325 3.687 -10.018 1.00 0.00 C ATOM 1441 O TYR A 93 -4.428 3.216 -10.301 1.00 0.00 O ATOM 1442 CB TYR A 93 -3.332 5.839 -8.731 1.00 0.00 C ATOM 1443 CG TYR A 93 -2.665 7.190 -8.596 1.00 0.00 C ATOM 1444 CD1 TYR A 93 -1.323 7.253 -8.179 1.00 0.00 C ATOM 1445 CD2 TYR A 93 -3.363 8.374 -8.892 1.00 0.00 C ATOM 1446 CE1 TYR A 93 -0.671 8.492 -8.064 1.00 0.00 C ATOM 1447 CE2 TYR A 93 -2.725 9.620 -8.757 1.00 0.00 C ATOM 1448 CZ TYR A 93 -1.381 9.684 -8.328 1.00 0.00 C ATOM 1449 OH TYR A 93 -0.783 10.888 -8.131 1.00 0.00 O ATOM 0 H TYR A 93 -4.954 5.371 -10.985 1.00 0.00 H new ATOM 0 HA TYR A 93 -2.060 5.381 -10.385 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.404 5.953 -8.573 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.962 5.178 -7.947 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.790 6.343 -7.946 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.390 8.327 -9.223 1.00 0.00 H new ATOM 0 HE1 TYR A 93 0.369 8.533 -7.775 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.263 10.529 -8.982 1.00 0.00 H new ATOM 0 HH TYR A 93 0.131 10.750 -7.806 1.00 0.00 H new ATOM 1459 N THR A 94 -2.289 2.967 -9.596 1.00 0.00 N ATOM 1460 CA THR A 94 -2.337 1.541 -9.304 1.00 0.00 C ATOM 1461 C THR A 94 -1.807 1.382 -7.876 1.00 0.00 C ATOM 1462 O THR A 94 -0.859 2.085 -7.517 1.00 0.00 O ATOM 1463 CB THR A 94 -1.513 0.771 -10.355 1.00 0.00 C ATOM 1464 OG1 THR A 94 -1.916 1.124 -11.672 1.00 0.00 O ATOM 1465 CG2 THR A 94 -1.628 -0.751 -10.208 1.00 0.00 C ATOM 0 H THR A 94 -1.366 3.374 -9.444 1.00 0.00 H new ATOM 0 HA THR A 94 -3.344 1.127 -9.359 1.00 0.00 H new ATOM 0 HB THR A 94 -0.475 1.056 -10.182 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.528 1.991 -11.912 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.026 -1.237 -10.976 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.270 -1.049 -9.223 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.670 -1.050 -10.321 1.00 0.00 H new ATOM 1473 N LEU A 95 -2.423 0.522 -7.063 1.00 0.00 N ATOM 1474 CA LEU A 95 -2.051 0.174 -5.690 1.00 0.00 C ATOM 1475 C LEU A 95 -2.344 -1.303 -5.436 1.00 0.00 C ATOM 1476 O LEU A 95 -3.148 -1.908 -6.145 1.00 0.00 O ATOM 1477 CB LEU A 95 -2.730 1.075 -4.645 1.00 0.00 C ATOM 1478 CG LEU A 95 -4.266 1.054 -4.476 1.00 0.00 C ATOM 1479 CD1 LEU A 95 -5.049 0.993 -5.780 1.00 0.00 C ATOM 1480 CD2 LEU A 95 -4.754 -0.071 -3.554 1.00 0.00 C ATOM 0 H LEU A 95 -3.254 0.014 -7.368 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.981 0.347 -5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.296 0.829 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.444 2.102 -4.871 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.471 2.019 -4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.117 0.982 -5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.811 1.866 -6.388 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.780 0.088 -6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.841 -0.032 -3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.454 -1.035 -3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.315 0.053 -2.564 1.00 0.00 H new ATOM 1492 N ASN A 96 -1.764 -1.882 -4.388 1.00 0.00 N ATOM 1493 CA ASN A 96 -2.137 -3.207 -3.882 1.00 0.00 C ATOM 1494 C ASN A 96 -2.255 -3.128 -2.355 1.00 0.00 C ATOM 1495 O ASN A 96 -2.108 -2.058 -1.771 1.00 0.00 O ATOM 1496 CB ASN A 96 -1.138 -4.321 -4.256 1.00 0.00 C ATOM 1497 CG ASN A 96 -0.765 -4.543 -5.708 1.00 0.00 C ATOM 1498 OD1 ASN A 96 -0.415 -3.626 -6.438 1.00 0.00 O ATOM 1499 ND2 ASN A 96 -0.740 -5.789 -6.145 1.00 0.00 N ATOM 0 H ASN A 96 -1.012 -1.442 -3.857 1.00 0.00 H new ATOM 0 HA ASN A 96 -3.084 -3.474 -4.351 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -0.215 -4.127 -3.709 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -1.541 -5.260 -3.877 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -0.428 -5.990 -7.095 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -1.033 -6.550 -5.532 1.00 0.00 H new ATOM 1506 N VAL A 97 -2.510 -4.257 -1.696 1.00 0.00 N ATOM 1507 CA VAL A 97 -2.520 -4.434 -0.254 1.00 0.00 C ATOM 1508 C VAL A 97 -1.767 -5.748 0.028 1.00 0.00 C ATOM 1509 O VAL A 97 -1.926 -6.734 -0.699 1.00 0.00 O ATOM 1510 CB VAL A 97 -3.981 -4.454 0.257 1.00 0.00 C ATOM 1511 CG1 VAL A 97 -4.004 -4.302 1.779 1.00 0.00 C ATOM 1512 CG2 VAL A 97 -4.887 -3.351 -0.318 1.00 0.00 C ATOM 0 H VAL A 97 -2.728 -5.123 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.028 -3.617 0.273 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.374 -5.413 -0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.036 -4.317 2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.453 -5.125 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.540 -3.356 2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.889 -3.449 0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.480 -2.374 -0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.935 -3.448 -1.403 1.00 0.00 H new ATOM 1522 N ARG A 98 -0.934 -5.795 1.074 1.00 0.00 N ATOM 1523 CA ARG A 98 -0.120 -6.960 1.442 1.00 0.00 C ATOM 1524 C ARG A 98 -0.122 -7.068 2.959 1.00 0.00 C ATOM 1525 O ARG A 98 0.088 -6.050 3.622 1.00 0.00 O ATOM 1526 CB ARG A 98 1.296 -6.759 0.873 1.00 0.00 C ATOM 1527 CG ARG A 98 2.128 -8.046 0.819 1.00 0.00 C ATOM 1528 CD ARG A 98 3.442 -7.792 0.066 1.00 0.00 C ATOM 1529 NE ARG A 98 4.082 -9.051 -0.334 1.00 0.00 N ATOM 1530 CZ ARG A 98 5.136 -9.186 -1.142 1.00 0.00 C ATOM 1531 NH1 ARG A 98 5.979 -8.179 -1.304 1.00 0.00 N ATOM 1532 NH2 ARG A 98 5.299 -10.338 -1.794 1.00 0.00 N ATOM 0 H ARG A 98 -0.804 -5.004 1.704 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.516 -7.889 1.031 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.218 -6.345 -0.132 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.821 -6.023 1.481 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.340 -8.394 1.830 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.562 -8.834 0.323 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.245 -7.185 -0.818 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.122 -7.222 0.699 1.00 0.00 H new ATOM 0 HE ARG A 98 3.681 -9.909 0.044 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.824 -7.299 -0.811 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.784 -8.282 -1.921 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.625 -11.094 -1.670 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.097 -10.463 -2.417 1.00 0.00 H new ATOM 1546 N VAL A 99 -0.436 -8.237 3.512 1.00 0.00 N ATOM 1547 CA VAL A 99 -0.402 -8.441 4.954 1.00 0.00 C ATOM 1548 C VAL A 99 1.067 -8.544 5.379 1.00 0.00 C ATOM 1549 O VAL A 99 1.926 -8.986 4.608 1.00 0.00 O ATOM 1550 CB VAL A 99 -1.276 -9.657 5.380 1.00 0.00 C ATOM 1551 CG1 VAL A 99 -2.576 -9.850 4.551 1.00 0.00 C ATOM 1552 CG2 VAL A 99 -0.471 -10.965 5.408 1.00 0.00 C ATOM 0 H VAL A 99 -0.718 -9.060 2.979 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.848 -7.596 5.478 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.595 -9.407 6.392 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.118 -10.721 4.921 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.204 -8.964 4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.320 -10.001 3.502 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.121 -11.786 5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.070 -11.167 4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.350 -10.872 6.119 1.00 0.00 H new ATOM 1562 N VAL A 100 1.341 -8.188 6.632 1.00 0.00 N ATOM 1563 CA VAL A 100 2.627 -8.364 7.287 1.00 0.00 C ATOM 1564 C VAL A 100 2.322 -8.852 8.698 1.00 0.00 C ATOM 1565 O VAL A 100 1.295 -8.488 9.282 1.00 0.00 O ATOM 1566 CB VAL A 100 3.375 -7.019 7.292 1.00 0.00 C ATOM 1567 CG1 VAL A 100 4.673 -7.043 8.117 1.00 0.00 C ATOM 1568 CG2 VAL A 100 3.704 -6.554 5.863 1.00 0.00 C ATOM 0 H VAL A 100 0.645 -7.753 7.238 1.00 0.00 H new ATOM 0 HA VAL A 100 3.266 -9.084 6.776 1.00 0.00 H new ATOM 0 HB VAL A 100 2.690 -6.316 7.766 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.148 -6.063 8.077 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.441 -7.291 9.153 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.351 -7.792 7.707 1.00 0.00 H new ATOM 0 HG21 VAL A 100 4.232 -5.601 5.903 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.334 -7.298 5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.780 -6.433 5.298 1.00 0.00 H new ATOM 1578 N ASN A 101 3.223 -9.637 9.271 1.00 0.00 N ATOM 1579 CA ASN A 101 3.149 -10.088 10.652 1.00 0.00 C ATOM 1580 C ASN A 101 4.544 -10.030 11.273 1.00 0.00 C ATOM 1581 O ASN A 101 5.454 -9.448 10.680 1.00 0.00 O ATOM 1582 CB ASN A 101 2.519 -11.489 10.706 1.00 0.00 C ATOM 1583 CG ASN A 101 3.394 -12.595 10.125 1.00 0.00 C ATOM 1584 OD1 ASN A 101 4.592 -12.441 9.887 1.00 0.00 O ATOM 1585 ND2 ASN A 101 2.805 -13.747 9.904 1.00 0.00 N ATOM 0 H ASN A 101 4.044 -9.986 8.777 1.00 0.00 H new ATOM 0 HA ASN A 101 2.506 -9.434 11.241 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.289 -11.731 11.744 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.572 -11.470 10.166 1.00 0.00 H new ATOM 0 HD21 ASN A 101 3.341 -14.530 9.530 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.812 -13.859 10.106 1.00 0.00 H new ATOM 1592 N GLY A 102 4.719 -10.616 12.459 1.00 0.00 N ATOM 1593 CA GLY A 102 5.970 -10.611 13.213 1.00 0.00 C ATOM 1594 C GLY A 102 7.179 -11.241 12.514 1.00 0.00 C ATOM 1595 O GLY A 102 8.283 -11.157 13.059 1.00 0.00 O ATOM 0 H GLY A 102 3.971 -11.122 12.934 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.217 -9.579 13.462 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.806 -11.136 14.154 1.00 0.00 H new ATOM 1599 N LYS A 103 7.029 -11.858 11.337 1.00 0.00 N ATOM 1600 CA LYS A 103 8.114 -12.519 10.615 1.00 0.00 C ATOM 1601 C LYS A 103 8.343 -11.878 9.244 1.00 0.00 C ATOM 1602 O LYS A 103 9.502 -11.609 8.920 1.00 0.00 O ATOM 1603 CB LYS A 103 7.813 -14.026 10.546 1.00 0.00 C ATOM 1604 CG LYS A 103 8.972 -14.883 10.006 1.00 0.00 C ATOM 1605 CD LYS A 103 10.093 -15.126 11.029 1.00 0.00 C ATOM 1606 CE LYS A 103 11.112 -16.103 10.420 1.00 0.00 C ATOM 1607 NZ LYS A 103 12.120 -16.569 11.396 1.00 0.00 N ATOM 0 H LYS A 103 6.133 -11.911 10.853 1.00 0.00 H new ATOM 0 HA LYS A 103 9.056 -12.389 11.148 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.552 -14.378 11.544 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.938 -14.181 9.914 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.578 -15.845 9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.394 -14.395 9.128 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.579 -14.185 11.288 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.681 -15.536 11.951 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.583 -16.965 10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.619 -15.618 9.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.779 -17.224 10.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.648 -15.753 11.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.644 -17.058 12.180 1.00 0.00 H new ATOM 1621 N GLY A 104 7.315 -11.633 8.425 1.00 0.00 N ATOM 1622 CA GLY A 104 7.540 -11.193 7.048 1.00 0.00 C ATOM 1623 C GLY A 104 6.252 -10.901 6.287 1.00 0.00 C ATOM 1624 O GLY A 104 5.187 -10.751 6.891 1.00 0.00 O ATOM 0 H GLY A 104 6.334 -11.730 8.688 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.159 -10.296 7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.101 -11.961 6.516 1.00 0.00 H new ATOM 1628 N GLU A 105 6.372 -10.766 4.961 1.00 0.00 N ATOM 1629 CA GLU A 105 5.256 -10.556 4.036 1.00 0.00 C ATOM 1630 C GLU A 105 4.803 -11.897 3.435 1.00 0.00 C ATOM 1631 O GLU A 105 5.508 -12.908 3.540 1.00 0.00 O ATOM 1632 CB GLU A 105 5.644 -9.612 2.877 1.00 0.00 C ATOM 1633 CG GLU A 105 6.392 -8.332 3.274 1.00 0.00 C ATOM 1634 CD GLU A 105 6.223 -7.218 2.236 1.00 0.00 C ATOM 1635 OE1 GLU A 105 6.867 -7.262 1.164 1.00 0.00 O ATOM 1636 OE2 GLU A 105 5.472 -6.256 2.515 1.00 0.00 O ATOM 0 H GLU A 105 7.276 -10.801 4.490 1.00 0.00 H new ATOM 0 HA GLU A 105 4.448 -10.102 4.609 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.264 -10.168 2.174 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.735 -9.328 2.346 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.027 -7.984 4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.452 -8.555 3.396 1.00 0.00 H new ATOM 1643 N GLY A 106 3.641 -11.890 2.773 1.00 0.00 N ATOM 1644 CA GLY A 106 3.092 -13.007 2.003 1.00 0.00 C ATOM 1645 C GLY A 106 2.682 -12.598 0.582 1.00 0.00 C ATOM 1646 O GLY A 106 3.206 -11.617 0.054 1.00 0.00 O ATOM 0 H GLY A 106 3.033 -11.071 2.760 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.833 -13.805 1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.225 -13.412 2.525 1.00 0.00 H new ATOM 1650 N PRO A 107 1.773 -13.338 -0.073 1.00 0.00 N ATOM 1651 CA PRO A 107 1.285 -12.998 -1.410 1.00 0.00 C ATOM 1652 C PRO A 107 0.471 -11.711 -1.362 1.00 0.00 C ATOM 1653 O PRO A 107 -0.155 -11.418 -0.343 1.00 0.00 O ATOM 1654 CB PRO A 107 0.429 -14.194 -1.836 1.00 0.00 C ATOM 1655 CG PRO A 107 -0.016 -14.840 -0.521 1.00 0.00 C ATOM 1656 CD PRO A 107 1.027 -14.440 0.513 1.00 0.00 C ATOM 0 HA PRO A 107 2.093 -12.819 -2.119 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -0.427 -13.876 -2.431 1.00 0.00 H new ATOM 0 HB3 PRO A 107 1.000 -14.893 -2.447 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -1.007 -14.492 -0.231 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -0.074 -15.924 -0.618 1.00 0.00 H new ATOM 0 HD2 PRO A 107 0.554 -14.137 1.447 1.00 0.00 H new ATOM 0 HD3 PRO A 107 1.686 -15.277 0.746 1.00 0.00 H new ATOM 1664 N ALA A 108 0.463 -10.949 -2.452 1.00 0.00 N ATOM 1665 CA ALA A 108 -0.196 -9.655 -2.495 1.00 0.00 C ATOM 1666 C ALA A 108 -1.622 -9.752 -3.043 1.00 0.00 C ATOM 1667 O ALA A 108 -2.033 -10.760 -3.631 1.00 0.00 O ATOM 1668 CB ALA A 108 0.656 -8.727 -3.347 1.00 0.00 C ATOM 0 H ALA A 108 0.914 -11.214 -3.328 1.00 0.00 H new ATOM 0 HA ALA A 108 -0.290 -9.263 -1.482 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.185 -7.745 -3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.647 -8.632 -2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.748 -9.138 -4.352 1.00 0.00 H new ATOM 1674 N SER A 109 -2.401 -8.693 -2.824 1.00 0.00 N ATOM 1675 CA SER A 109 -3.753 -8.587 -3.344 1.00 0.00 C ATOM 1676 C SER A 109 -3.724 -8.427 -4.875 1.00 0.00 C ATOM 1677 O SER A 109 -2.644 -8.273 -5.456 1.00 0.00 O ATOM 1678 CB SER A 109 -4.441 -7.418 -2.630 1.00 0.00 C ATOM 1679 OG SER A 109 -4.062 -6.148 -3.136 1.00 0.00 O ATOM 0 H SER A 109 -2.105 -7.884 -2.278 1.00 0.00 H new ATOM 0 HA SER A 109 -4.325 -9.494 -3.149 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.521 -7.530 -2.723 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.206 -7.462 -1.567 1.00 0.00 H new ATOM 0 HG SER A 109 -4.376 -6.057 -4.060 1.00 0.00 H new ATOM 1685 N PRO A 110 -4.892 -8.370 -5.543 1.00 0.00 N ATOM 1686 CA PRO A 110 -4.987 -7.779 -6.870 1.00 0.00 C ATOM 1687 C PRO A 110 -4.327 -6.399 -6.879 1.00 0.00 C ATOM 1688 O PRO A 110 -4.408 -5.678 -5.874 1.00 0.00 O ATOM 1689 CB PRO A 110 -6.489 -7.668 -7.165 1.00 0.00 C ATOM 1690 CG PRO A 110 -7.098 -8.765 -6.298 1.00 0.00 C ATOM 1691 CD PRO A 110 -6.223 -8.687 -5.052 1.00 0.00 C ATOM 0 HA PRO A 110 -4.478 -8.380 -7.624 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.879 -6.685 -6.903 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.704 -7.825 -8.222 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.148 -8.576 -6.075 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.045 -9.743 -6.776 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.583 -7.921 -4.365 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.228 -9.631 -4.507 1.00 0.00 H new ATOM 1699 N ASP A 111 -3.728 -6.031 -8.010 1.00 0.00 N ATOM 1700 CA ASP A 111 -3.266 -4.668 -8.263 1.00 0.00 C ATOM 1701 C ASP A 111 -4.538 -3.904 -8.619 1.00 0.00 C ATOM 1702 O ASP A 111 -5.081 -4.074 -9.716 1.00 0.00 O ATOM 1703 CB ASP A 111 -2.267 -4.575 -9.438 1.00 0.00 C ATOM 1704 CG ASP A 111 -0.905 -5.228 -9.226 1.00 0.00 C ATOM 1705 OD1 ASP A 111 -0.848 -6.412 -8.822 1.00 0.00 O ATOM 1706 OD2 ASP A 111 0.136 -4.635 -9.576 1.00 0.00 O ATOM 0 H ASP A 111 -3.549 -6.674 -8.781 1.00 0.00 H new ATOM 0 HA ASP A 111 -2.735 -4.275 -7.396 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.729 -5.027 -10.316 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -2.108 -3.522 -9.668 1.00 0.00 H new ATOM 1711 N ARG A 112 -5.092 -3.156 -7.670 1.00 0.00 N ATOM 1712 CA ARG A 112 -6.253 -2.308 -7.940 1.00 0.00 C ATOM 1713 C ARG A 112 -5.827 -1.054 -8.687 1.00 0.00 C ATOM 1714 O ARG A 112 -4.661 -0.665 -8.643 1.00 0.00 O ATOM 1715 CB ARG A 112 -6.959 -1.940 -6.631 1.00 0.00 C ATOM 1716 CG ARG A 112 -7.905 -3.061 -6.211 1.00 0.00 C ATOM 1717 CD ARG A 112 -9.169 -3.074 -7.066 1.00 0.00 C ATOM 1718 NE ARG A 112 -9.692 -4.434 -7.251 1.00 0.00 N ATOM 1719 CZ ARG A 112 -9.650 -5.167 -8.372 1.00 0.00 C ATOM 1720 NH1 ARG A 112 -9.271 -4.656 -9.537 1.00 0.00 N ATOM 1721 NH2 ARG A 112 -10.017 -6.435 -8.328 1.00 0.00 N ATOM 0 H ARG A 112 -4.758 -3.118 -6.707 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.953 -2.862 -8.565 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -6.221 -1.764 -5.848 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -7.516 -1.012 -6.758 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -7.395 -4.021 -6.298 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -8.175 -2.937 -5.162 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -9.931 -2.453 -6.596 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -8.954 -2.633 -8.039 1.00 0.00 H new ATOM 0 HE ARG A 112 -10.134 -4.867 -6.440 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -8.999 -3.675 -9.599 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -9.251 -5.245 -10.370 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -10.328 -6.846 -7.448 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -9.990 -7.004 -9.174 1.00 0.00 H new ATOM 1735 N VAL A 113 -6.796 -0.374 -9.299 1.00 0.00 N ATOM 1736 CA VAL A 113 -6.583 0.909 -9.952 1.00 0.00 C ATOM 1737 C VAL A 113 -7.709 1.872 -9.592 1.00 0.00 C ATOM 1738 O VAL A 113 -8.816 1.433 -9.252 1.00 0.00 O ATOM 1739 CB VAL A 113 -6.396 0.745 -11.472 1.00 0.00 C ATOM 1740 CG1 VAL A 113 -5.367 -0.340 -11.815 1.00 0.00 C ATOM 1741 CG2 VAL A 113 -7.715 0.469 -12.193 1.00 0.00 C ATOM 0 H VAL A 113 -7.759 -0.705 -9.354 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.653 1.343 -9.584 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.012 1.701 -11.829 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.269 -0.419 -12.898 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.402 -0.076 -11.382 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.698 -1.296 -11.410 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -7.530 0.361 -13.262 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.155 -0.450 -11.807 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.402 1.299 -12.026 1.00 0.00 H new ATOM 1751 N PHE A 114 -7.446 3.173 -9.707 1.00 0.00 N ATOM 1752 CA PHE A 114 -8.430 4.229 -9.527 1.00 0.00 C ATOM 1753 C PHE A 114 -8.047 5.428 -10.395 1.00 0.00 C ATOM 1754 O PHE A 114 -6.857 5.692 -10.580 1.00 0.00 O ATOM 1755 CB PHE A 114 -8.518 4.595 -8.037 1.00 0.00 C ATOM 1756 CG PHE A 114 -7.251 5.059 -7.323 1.00 0.00 C ATOM 1757 CD1 PHE A 114 -6.436 4.110 -6.682 1.00 0.00 C ATOM 1758 CD2 PHE A 114 -6.945 6.428 -7.176 1.00 0.00 C ATOM 1759 CE1 PHE A 114 -5.389 4.519 -5.837 1.00 0.00 C ATOM 1760 CE2 PHE A 114 -5.896 6.839 -6.327 1.00 0.00 C ATOM 1761 CZ PHE A 114 -5.138 5.881 -5.629 1.00 0.00 C ATOM 0 H PHE A 114 -6.517 3.527 -9.934 1.00 0.00 H new ATOM 0 HA PHE A 114 -9.418 3.892 -9.843 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.264 5.383 -7.933 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -8.898 3.724 -7.504 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -6.616 3.057 -6.840 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -7.518 7.167 -7.717 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.775 3.779 -5.346 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -5.675 7.890 -6.213 1.00 0.00 H new ATOM 0 HZ PHE A 114 -4.369 6.193 -4.938 1.00 0.00 H new ATOM 1771 N ASN A 115 -9.032 6.170 -10.917 1.00 0.00 N ATOM 1772 CA ASN A 115 -8.833 7.455 -11.577 1.00 0.00 C ATOM 1773 C ASN A 115 -9.398 8.543 -10.686 1.00 0.00 C ATOM 1774 O ASN A 115 -10.419 8.337 -10.029 1.00 0.00 O ATOM 1775 CB ASN A 115 -9.533 7.522 -12.940 1.00 0.00 C ATOM 1776 CG ASN A 115 -11.050 7.505 -12.853 1.00 0.00 C ATOM 1777 OD1 ASN A 115 -11.630 6.423 -12.787 1.00 0.00 O ATOM 1778 ND2 ASN A 115 -11.714 8.649 -12.848 1.00 0.00 N ATOM 0 H ASN A 115 -10.010 5.882 -10.889 1.00 0.00 H new ATOM 0 HA ASN A 115 -7.764 7.587 -11.745 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -9.218 8.430 -13.455 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -9.204 6.680 -13.549 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -12.732 8.647 -12.788 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -11.208 9.533 -12.904 1.00 0.00 H new ATOM 1785 N THR A 116 -8.752 9.702 -10.690 1.00 0.00 N ATOM 1786 CA THR A 116 -9.197 10.868 -9.942 1.00 0.00 C ATOM 1787 C THR A 116 -10.293 11.638 -10.688 1.00 0.00 C ATOM 1788 O THR A 116 -10.505 11.361 -11.873 1.00 0.00 O ATOM 1789 CB THR A 116 -7.982 11.752 -9.617 1.00 0.00 C ATOM 1790 OG1 THR A 116 -6.894 11.558 -10.496 1.00 0.00 O ATOM 1791 CG2 THR A 116 -7.499 11.453 -8.209 1.00 0.00 C ATOM 0 H THR A 116 -7.894 9.859 -11.219 1.00 0.00 H new ATOM 0 HA THR A 116 -9.649 10.541 -9.006 1.00 0.00 H new ATOM 0 HB THR A 116 -8.320 12.783 -9.723 1.00 0.00 H new ATOM 0 HG1 THR A 116 -6.071 11.885 -10.075 1.00 0.00 H new ATOM 0 HG21 THR A 116 -6.638 12.080 -7.979 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.299 11.660 -7.498 1.00 0.00 H new ATOM 0 HG23 THR A 116 -7.213 10.404 -8.138 1.00 0.00 H new ATOM 1799 N PRO A 117 -10.964 12.613 -10.032 1.00 0.00 N ATOM 1800 CA PRO A 117 -12.016 13.390 -10.658 1.00 0.00 C ATOM 1801 C PRO A 117 -11.408 14.284 -11.738 1.00 0.00 C ATOM 1802 O PRO A 117 -11.544 13.984 -12.925 1.00 0.00 O ATOM 1803 CB PRO A 117 -12.739 14.143 -9.530 1.00 0.00 C ATOM 1804 CG PRO A 117 -11.814 14.072 -8.312 1.00 0.00 C ATOM 1805 CD PRO A 117 -10.859 12.930 -8.610 1.00 0.00 C ATOM 0 HA PRO A 117 -12.755 12.780 -11.177 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.932 15.178 -9.813 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -13.705 13.687 -9.313 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.276 15.009 -8.170 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -12.378 13.886 -7.398 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.837 13.212 -8.357 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -11.108 12.058 -8.006 1.00 0.00 H new ATOM 1813 N GLU A 118 -10.731 15.366 -11.335 1.00 0.00 N ATOM 1814 CA GLU A 118 -10.047 16.310 -12.218 1.00 0.00 C ATOM 1815 C GLU A 118 -9.225 17.316 -11.400 1.00 0.00 C ATOM 1816 O GLU A 118 -8.104 17.653 -11.751 1.00 0.00 O ATOM 1817 CB GLU A 118 -11.093 17.045 -13.056 1.00 0.00 C ATOM 1818 CG GLU A 118 -10.504 18.029 -14.069 1.00 0.00 C ATOM 1819 CD GLU A 118 -11.636 18.741 -14.800 1.00 0.00 C ATOM 1820 OE1 GLU A 118 -12.469 19.372 -14.099 1.00 0.00 O ATOM 1821 OE2 GLU A 118 -11.746 18.622 -16.043 1.00 0.00 O ATOM 0 H GLU A 118 -10.643 15.614 -10.350 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.364 15.766 -12.870 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.698 16.311 -13.588 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -11.763 17.586 -12.388 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.871 18.756 -13.561 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.872 17.499 -14.782 1.00 0.00 H new ATOM 1828 N GLY A 119 -9.769 17.760 -10.271 1.00 0.00 N ATOM 1829 CA GLY A 119 -9.182 18.754 -9.374 1.00 0.00 C ATOM 1830 C GLY A 119 -9.496 20.186 -9.811 1.00 0.00 C ATOM 1831 O GLY A 119 -9.623 20.471 -11.001 1.00 0.00 O ATOM 0 H GLY A 119 -10.673 17.422 -9.940 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -9.557 18.594 -8.363 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.101 18.616 -9.339 1.00 0.00 H new