USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 750 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 73 THR OG1 : rot 86:sc= -0.365 USER MOD Set 1.2: A 92 HIS : no HD1:sc= -1.08 K(o=-1.4,f=-2.4) USER MOD Single : A 19 GLN : amide:sc= -2.55 K(o=-2.6,f=-3.5!) USER MOD Single : A 20 SER OG : rot -58:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.262 X(o=-0.26,f=-0.49) USER MOD Single : A 27 MET CE :methyl -158:sc= -1.28 (180deg=-2.27) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0177 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.02) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -57:sc= 0.552 USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 45 THR OG1 : rot -170:sc= -0.276 USER MOD Single : A 46 GLN : amide:sc= 0.191 K(o=0.19,f=-0.77) USER MOD Single : A 47 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.185) USER MOD Single : A 54 ASN : amide:sc= -6.92! C(o=-6.9!,f=-10!) USER MOD Single : A 56 THR OG1 : rot 92:sc= 1.25 USER MOD Single : A 58 GLN : amide:sc= -2.72 K(o=-2.7,f=-4.5!) USER MOD Single : A 63 ASN : amide:sc= -3.57! C(o=-3.6!,f=-4.8!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -1.83! X(o=-1.8!,f=-2.1) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.057 X(o=-0.057,f=0) USER MOD Single : A 76 GLN : amide:sc= -3.71! K(o=-3.7!,f=-2.8) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -10.2! C(o=-10!,f=-25!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -1.65 K(o=-1.6,f=-0.39) USER MOD Single : A 93 SER OG : rot -120:sc= -1.31 USER MOD Single : A 94 TYR OH : rot 150:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= -5.38! C(o=-5.4!,f=-3.7!) USER MOD Single : A 102 ASN : amide:sc= -5.28! C(o=-5.3!,f=-9.3!) USER MOD ----------------------------------------------------------------- ATOM 128 N VAL A 13 -2.517 5.043 -17.117 1.00 0.00 N ATOM 129 CA VAL A 13 -2.301 5.099 -15.677 1.00 0.00 C ATOM 130 C VAL A 13 -3.505 5.703 -14.963 1.00 0.00 C ATOM 131 O VAL A 13 -3.920 5.221 -13.910 1.00 0.00 O ATOM 132 CB VAL A 13 -1.046 5.922 -15.329 1.00 0.00 C ATOM 133 CG1 VAL A 13 -0.863 6.006 -13.821 1.00 0.00 C ATOM 134 CG2 VAL A 13 0.185 5.322 -15.991 1.00 0.00 C ATOM 0 HA VAL A 13 -2.159 4.073 -15.339 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.179 6.934 -15.711 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.028 6.591 -13.595 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.734 6.485 -13.375 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.752 5.002 -13.412 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.062 5.916 -15.734 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.324 4.299 -15.641 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.052 5.320 -17.073 1.00 0.00 H new ATOM 144 N GLU A 14 -4.062 6.760 -15.546 1.00 0.00 N ATOM 145 CA GLU A 14 -5.219 7.430 -14.964 1.00 0.00 C ATOM 146 C GLU A 14 -6.508 6.691 -15.315 1.00 0.00 C ATOM 147 O GLU A 14 -7.512 7.307 -15.670 1.00 0.00 O ATOM 148 CB GLU A 14 -5.299 8.877 -15.455 1.00 0.00 C ATOM 149 CG GLU A 14 -4.002 9.650 -15.282 1.00 0.00 C ATOM 150 CD GLU A 14 -4.163 11.131 -15.568 1.00 0.00 C ATOM 151 OE1 GLU A 14 -5.193 11.705 -15.158 1.00 0.00 O ATOM 152 OE2 GLU A 14 -3.259 11.715 -16.202 1.00 0.00 O ATOM 0 H GLU A 14 -3.731 7.170 -16.419 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.101 7.428 -13.880 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.576 8.880 -16.509 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.094 9.392 -14.915 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.638 9.518 -14.263 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.245 9.235 -15.947 1.00 0.00 H new ATOM 159 N GLY A 15 -6.470 5.366 -15.212 1.00 0.00 N ATOM 160 CA GLY A 15 -7.640 4.565 -15.522 1.00 0.00 C ATOM 161 C GLY A 15 -7.743 3.328 -14.651 1.00 0.00 C ATOM 162 O GLY A 15 -8.839 2.913 -14.279 1.00 0.00 O ATOM 0 H GLY A 15 -5.651 4.833 -14.920 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.536 5.172 -15.394 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.605 4.266 -16.570 1.00 0.00 H new ATOM 166 N ALA A 16 -6.597 2.738 -14.328 1.00 0.00 N ATOM 167 CA ALA A 16 -6.563 1.541 -13.495 1.00 0.00 C ATOM 168 C ALA A 16 -7.147 1.817 -12.114 1.00 0.00 C ATOM 169 O ALA A 16 -8.119 1.185 -11.704 1.00 0.00 O ATOM 170 CB ALA A 16 -5.137 1.024 -13.374 1.00 0.00 C ATOM 0 H ALA A 16 -5.680 3.069 -14.630 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.176 0.777 -13.973 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.126 0.130 -12.750 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.753 0.780 -14.365 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.509 1.791 -12.921 1.00 0.00 H new ATOM 176 N ALA A 17 -6.546 2.764 -11.401 1.00 0.00 N ATOM 177 CA ALA A 17 -7.008 3.123 -10.066 1.00 0.00 C ATOM 178 C ALA A 17 -8.531 3.141 -9.998 1.00 0.00 C ATOM 179 O ALA A 17 -9.127 2.610 -9.060 1.00 0.00 O ATOM 180 CB ALA A 17 -6.444 4.477 -9.659 1.00 0.00 C ATOM 0 H ALA A 17 -5.739 3.296 -11.725 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.648 2.367 -9.369 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.797 4.733 -8.660 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.355 4.432 -9.659 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.776 5.237 -10.367 1.00 0.00 H new ATOM 186 N PHE A 18 -9.156 3.754 -10.997 1.00 0.00 N ATOM 187 CA PHE A 18 -10.611 3.842 -11.050 1.00 0.00 C ATOM 188 C PHE A 18 -11.248 2.480 -10.787 1.00 0.00 C ATOM 189 O PHE A 18 -12.228 2.375 -10.051 1.00 0.00 O ATOM 190 CB PHE A 18 -11.062 4.374 -12.411 1.00 0.00 C ATOM 191 CG PHE A 18 -12.420 3.884 -12.827 1.00 0.00 C ATOM 192 CD1 PHE A 18 -12.569 2.643 -13.425 1.00 0.00 C ATOM 193 CD2 PHE A 18 -13.546 4.664 -12.621 1.00 0.00 C ATOM 194 CE1 PHE A 18 -13.817 2.189 -13.808 1.00 0.00 C ATOM 195 CE2 PHE A 18 -14.796 4.215 -13.002 1.00 0.00 C ATOM 196 CZ PHE A 18 -14.932 2.976 -13.597 1.00 0.00 C ATOM 0 H PHE A 18 -8.678 4.197 -11.781 1.00 0.00 H new ATOM 0 HA PHE A 18 -10.937 4.533 -10.272 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -11.071 5.464 -12.381 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -10.332 4.082 -13.166 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.700 2.024 -13.594 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -13.446 5.634 -12.157 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -13.920 1.219 -14.272 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -15.666 4.832 -12.835 1.00 0.00 H new ATOM 0 HZ PHE A 18 -15.908 2.624 -13.897 1.00 0.00 H new ATOM 206 N GLN A 19 -10.683 1.442 -11.396 1.00 0.00 N ATOM 207 CA GLN A 19 -11.197 0.088 -11.229 1.00 0.00 C ATOM 208 C GLN A 19 -11.524 -0.194 -9.766 1.00 0.00 C ATOM 209 O GLN A 19 -12.442 -0.955 -9.461 1.00 0.00 O ATOM 210 CB GLN A 19 -10.179 -0.932 -11.742 1.00 0.00 C ATOM 211 CG GLN A 19 -9.037 -1.193 -10.773 1.00 0.00 C ATOM 212 CD GLN A 19 -9.343 -2.312 -9.797 1.00 0.00 C ATOM 213 OE1 GLN A 19 -10.188 -3.168 -10.062 1.00 0.00 O ATOM 214 NE2 GLN A 19 -8.657 -2.311 -8.661 1.00 0.00 N ATOM 0 H GLN A 19 -9.870 1.513 -12.009 1.00 0.00 H new ATOM 0 HA GLN A 19 -12.115 -0.000 -11.810 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.691 -1.872 -11.948 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.768 -0.579 -12.688 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.138 -1.443 -11.336 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.821 -0.280 -10.217 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.966 -1.582 -8.483 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.821 -3.039 -7.966 1.00 0.00 H new ATOM 223 N SER A 20 -10.766 0.424 -8.866 1.00 0.00 N ATOM 224 CA SER A 20 -10.972 0.236 -7.435 1.00 0.00 C ATOM 225 C SER A 20 -11.773 1.393 -6.845 1.00 0.00 C ATOM 226 O SER A 20 -11.552 1.798 -5.703 1.00 0.00 O ATOM 227 CB SER A 20 -9.628 0.113 -6.716 1.00 0.00 C ATOM 228 OG SER A 20 -9.744 -0.685 -5.550 1.00 0.00 O ATOM 0 H SER A 20 -10.004 1.059 -9.103 1.00 0.00 H new ATOM 0 HA SER A 20 -11.537 -0.685 -7.293 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.891 -0.326 -7.389 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.264 1.105 -6.447 1.00 0.00 H new ATOM 0 HG SER A 20 -10.415 -0.294 -4.952 1.00 0.00 H new ATOM 234 N ARG A 21 -12.705 1.921 -7.632 1.00 0.00 N ATOM 235 CA ARG A 21 -13.539 3.032 -7.189 1.00 0.00 C ATOM 236 C ARG A 21 -12.753 3.974 -6.282 1.00 0.00 C ATOM 237 O ARG A 21 -13.241 4.393 -5.232 1.00 0.00 O ATOM 238 CB ARG A 21 -14.773 2.509 -6.452 1.00 0.00 C ATOM 239 CG ARG A 21 -15.735 1.740 -7.344 1.00 0.00 C ATOM 240 CD ARG A 21 -16.629 2.678 -8.138 1.00 0.00 C ATOM 241 NE ARG A 21 -17.577 3.387 -7.282 1.00 0.00 N ATOM 242 CZ ARG A 21 -18.697 3.944 -7.730 1.00 0.00 C ATOM 243 NH1 ARG A 21 -19.008 3.875 -9.017 1.00 0.00 N ATOM 244 NH2 ARG A 21 -19.509 4.572 -6.889 1.00 0.00 N ATOM 0 H ARG A 21 -12.901 1.597 -8.579 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.859 3.587 -8.071 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -14.451 1.862 -5.636 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.301 3.350 -6.003 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.171 1.107 -8.029 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -16.350 1.080 -6.733 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.012 3.401 -8.672 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -17.175 2.108 -8.890 1.00 0.00 H new ATOM 0 HE ARG A 21 -17.368 3.458 -6.286 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -18.387 3.393 -9.667 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -19.869 4.304 -9.357 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.273 4.627 -5.898 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -20.369 4.999 -7.233 1.00 0.00 H new ATOM 258 N LEU A 22 -11.534 4.304 -6.695 1.00 0.00 N ATOM 259 CA LEU A 22 -10.679 5.196 -5.920 1.00 0.00 C ATOM 260 C LEU A 22 -10.126 6.316 -6.795 1.00 0.00 C ATOM 261 O LEU A 22 -9.783 6.115 -7.961 1.00 0.00 O ATOM 262 CB LEU A 22 -9.528 4.411 -5.288 1.00 0.00 C ATOM 263 CG LEU A 22 -8.326 4.138 -6.193 1.00 0.00 C ATOM 264 CD1 LEU A 22 -7.351 5.304 -6.151 1.00 0.00 C ATOM 265 CD2 LEU A 22 -7.634 2.846 -5.784 1.00 0.00 C ATOM 0 H LEU A 22 -11.116 3.967 -7.562 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.283 5.642 -5.130 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.181 4.957 -4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.917 3.456 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.683 4.027 -7.217 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.502 5.092 -6.801 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.852 6.210 -6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.999 5.447 -5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.781 2.667 -6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.289 2.928 -4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.335 2.016 -5.867 1.00 0.00 H new ATOM 277 N PRO A 23 -10.034 7.525 -6.222 1.00 0.00 N ATOM 278 CA PRO A 23 -9.519 8.701 -6.931 1.00 0.00 C ATOM 279 C PRO A 23 -8.021 8.606 -7.200 1.00 0.00 C ATOM 280 O PRO A 23 -7.241 8.267 -6.310 1.00 0.00 O ATOM 281 CB PRO A 23 -9.818 9.854 -5.969 1.00 0.00 C ATOM 282 CG PRO A 23 -9.871 9.220 -4.622 1.00 0.00 C ATOM 283 CD PRO A 23 -10.424 7.838 -4.837 1.00 0.00 C ATOM 0 HA PRO A 23 -9.977 8.818 -7.913 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -9.044 10.620 -6.016 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.762 10.340 -6.215 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -8.880 9.178 -4.171 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.505 9.793 -3.945 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.004 7.123 -4.130 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.506 7.814 -4.709 1.00 0.00 H new ATOM 291 N HIS A 24 -7.626 8.908 -8.433 1.00 0.00 N ATOM 292 CA HIS A 24 -6.220 8.857 -8.819 1.00 0.00 C ATOM 293 C HIS A 24 -5.526 10.182 -8.516 1.00 0.00 C ATOM 294 O HIS A 24 -4.299 10.271 -8.546 1.00 0.00 O ATOM 295 CB HIS A 24 -6.089 8.528 -10.306 1.00 0.00 C ATOM 296 CG HIS A 24 -7.029 9.304 -11.176 1.00 0.00 C ATOM 297 ND1 HIS A 24 -8.240 8.805 -11.608 1.00 0.00 N ATOM 298 CD2 HIS A 24 -6.931 10.551 -11.694 1.00 0.00 C ATOM 299 CE1 HIS A 24 -8.845 9.711 -12.356 1.00 0.00 C ATOM 300 NE2 HIS A 24 -8.072 10.780 -12.423 1.00 0.00 N ATOM 0 H HIS A 24 -8.259 9.190 -9.181 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.737 8.072 -8.237 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.065 8.725 -10.625 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.268 7.463 -10.451 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -6.109 11.238 -11.559 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.808 9.597 -12.832 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -8.288 11.636 -12.933 1.00 0.00 H new ATOM 309 N ASP A 25 -6.319 11.207 -8.224 1.00 0.00 N ATOM 310 CA ASP A 25 -5.781 12.526 -7.915 1.00 0.00 C ATOM 311 C ASP A 25 -5.539 12.677 -6.417 1.00 0.00 C ATOM 312 O ASP A 25 -4.690 13.461 -5.991 1.00 0.00 O ATOM 313 CB ASP A 25 -6.736 13.617 -8.402 1.00 0.00 C ATOM 314 CG ASP A 25 -6.101 14.993 -8.384 1.00 0.00 C ATOM 315 OD1 ASP A 25 -5.334 15.281 -7.441 1.00 0.00 O ATOM 316 OD2 ASP A 25 -6.370 15.783 -9.313 1.00 0.00 O ATOM 0 H ASP A 25 -7.337 11.149 -8.195 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.827 12.632 -8.432 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.062 13.384 -9.416 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.627 13.623 -7.774 1.00 0.00 H new ATOM 321 N ARG A 26 -6.291 11.923 -5.622 1.00 0.00 N ATOM 322 CA ARG A 26 -6.159 11.974 -4.171 1.00 0.00 C ATOM 323 C ARG A 26 -6.133 10.569 -3.577 1.00 0.00 C ATOM 324 O ARG A 26 -6.393 9.587 -4.271 1.00 0.00 O ATOM 325 CB ARG A 26 -7.311 12.776 -3.561 1.00 0.00 C ATOM 326 CG ARG A 26 -8.686 12.278 -3.976 1.00 0.00 C ATOM 327 CD ARG A 26 -9.718 12.520 -2.886 1.00 0.00 C ATOM 328 NE ARG A 26 -10.344 13.834 -3.007 1.00 0.00 N ATOM 329 CZ ARG A 26 -11.542 14.125 -2.512 1.00 0.00 C ATOM 330 NH1 ARG A 26 -12.239 13.200 -1.866 1.00 0.00 N ATOM 331 NH2 ARG A 26 -12.045 15.344 -2.662 1.00 0.00 N ATOM 0 H ARG A 26 -6.998 11.269 -5.958 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.216 12.467 -3.934 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -7.233 12.739 -2.474 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -7.209 13.821 -3.852 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.996 12.783 -4.891 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.636 11.213 -4.201 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.485 11.747 -2.935 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.241 12.434 -1.910 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.834 14.568 -3.498 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.856 12.262 -1.748 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.159 13.426 -1.487 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.512 16.058 -3.158 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.965 15.566 -2.282 1.00 0.00 H new ATOM 345 N MET A 27 -5.816 10.482 -2.289 1.00 0.00 N ATOM 346 CA MET A 27 -5.756 9.197 -1.602 1.00 0.00 C ATOM 347 C MET A 27 -7.073 8.899 -0.892 1.00 0.00 C ATOM 348 O MET A 27 -7.868 9.802 -0.630 1.00 0.00 O ATOM 349 CB MET A 27 -4.606 9.187 -0.594 1.00 0.00 C ATOM 350 CG MET A 27 -3.293 9.700 -1.164 1.00 0.00 C ATOM 351 SD MET A 27 -2.151 10.257 0.115 1.00 0.00 S ATOM 352 CE MET A 27 -1.926 8.745 1.049 1.00 0.00 C ATOM 0 H MET A 27 -5.597 11.286 -1.700 1.00 0.00 H new ATOM 0 HA MET A 27 -5.582 8.422 -2.348 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.882 9.797 0.266 1.00 0.00 H new ATOM 0 HB3 MET A 27 -4.462 8.170 -0.230 1.00 0.00 H new ATOM 0 HG2 MET A 27 -2.821 8.909 -1.748 1.00 0.00 H new ATOM 0 HG3 MET A 27 -3.496 10.524 -1.848 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.587 8.987 2.056 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.872 8.207 1.104 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.182 8.120 0.556 1.00 0.00 H new ATOM 362 N THR A 28 -7.298 7.626 -0.582 1.00 0.00 N ATOM 363 CA THR A 28 -8.519 7.209 0.096 1.00 0.00 C ATOM 364 C THR A 28 -8.305 7.112 1.602 1.00 0.00 C ATOM 365 O THR A 28 -7.206 6.807 2.065 1.00 0.00 O ATOM 366 CB THR A 28 -9.016 5.849 -0.429 1.00 0.00 C ATOM 367 OG1 THR A 28 -7.913 4.947 -0.575 1.00 0.00 O ATOM 368 CG2 THR A 28 -9.726 6.011 -1.764 1.00 0.00 C ATOM 0 H THR A 28 -6.650 6.866 -0.790 1.00 0.00 H new ATOM 0 HA THR A 28 -9.272 7.968 -0.113 1.00 0.00 H new ATOM 0 HB THR A 28 -9.724 5.442 0.293 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.238 4.084 -0.908 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.068 5.037 -2.115 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.582 6.674 -1.642 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.037 6.438 -2.493 1.00 0.00 H new ATOM 376 N SER A 29 -9.363 7.373 2.363 1.00 0.00 N ATOM 377 CA SER A 29 -9.290 7.318 3.819 1.00 0.00 C ATOM 378 C SER A 29 -8.301 6.249 4.273 1.00 0.00 C ATOM 379 O SER A 29 -7.520 6.465 5.200 1.00 0.00 O ATOM 380 CB SER A 29 -10.672 7.035 4.409 1.00 0.00 C ATOM 381 OG SER A 29 -11.574 8.092 4.129 1.00 0.00 O ATOM 0 H SER A 29 -10.281 7.625 1.996 1.00 0.00 H new ATOM 0 HA SER A 29 -8.941 8.286 4.178 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.061 6.103 4.000 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.589 6.900 5.487 1.00 0.00 H new ATOM 0 HG SER A 29 -12.450 7.885 4.516 1.00 0.00 H new ATOM 387 N GLN A 30 -8.342 5.096 3.614 1.00 0.00 N ATOM 388 CA GLN A 30 -7.450 3.992 3.950 1.00 0.00 C ATOM 389 C GLN A 30 -5.993 4.380 3.722 1.00 0.00 C ATOM 390 O GLN A 30 -5.167 4.287 4.629 1.00 0.00 O ATOM 391 CB GLN A 30 -7.798 2.756 3.118 1.00 0.00 C ATOM 392 CG GLN A 30 -8.813 1.841 3.783 1.00 0.00 C ATOM 393 CD GLN A 30 -10.241 2.179 3.402 1.00 0.00 C ATOM 394 OE1 GLN A 30 -11.082 2.434 4.264 1.00 0.00 O ATOM 395 NE2 GLN A 30 -10.522 2.184 2.104 1.00 0.00 N ATOM 0 H GLN A 30 -8.983 4.902 2.845 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.583 3.759 5.006 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.188 3.077 2.152 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.886 2.192 2.922 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.602 0.808 3.506 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.704 1.909 4.865 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.794 1.967 1.424 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -11.466 2.405 1.787 1.00 0.00 H new ATOM 404 N GLU A 31 -5.686 4.816 2.504 1.00 0.00 N ATOM 405 CA GLU A 31 -4.327 5.217 2.157 1.00 0.00 C ATOM 406 C GLU A 31 -3.861 6.375 3.035 1.00 0.00 C ATOM 407 O GLU A 31 -2.674 6.503 3.333 1.00 0.00 O ATOM 408 CB GLU A 31 -4.251 5.617 0.682 1.00 0.00 C ATOM 409 CG GLU A 31 -4.537 4.472 -0.275 1.00 0.00 C ATOM 410 CD GLU A 31 -3.352 3.539 -0.438 1.00 0.00 C ATOM 411 OE1 GLU A 31 -2.563 3.407 0.520 1.00 0.00 O ATOM 412 OE2 GLU A 31 -3.216 2.940 -1.526 1.00 0.00 O ATOM 0 H GLU A 31 -6.359 4.900 1.742 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.668 4.366 2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.962 6.422 0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.258 6.015 0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.394 3.905 0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.813 4.877 -1.249 1.00 0.00 H new ATOM 419 N ALA A 32 -4.805 7.216 3.444 1.00 0.00 N ATOM 420 CA ALA A 32 -4.493 8.363 4.288 1.00 0.00 C ATOM 421 C ALA A 32 -4.153 7.923 5.708 1.00 0.00 C ATOM 422 O ALA A 32 -3.472 8.637 6.443 1.00 0.00 O ATOM 423 CB ALA A 32 -5.657 9.342 4.301 1.00 0.00 C ATOM 0 H ALA A 32 -5.792 7.125 3.205 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.618 8.862 3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.409 10.193 4.935 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.851 9.690 3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.546 8.845 4.691 1.00 0.00 H new ATOM 429 N ALA A 33 -4.634 6.743 6.088 1.00 0.00 N ATOM 430 CA ALA A 33 -4.380 6.208 7.420 1.00 0.00 C ATOM 431 C ALA A 33 -3.071 5.425 7.457 1.00 0.00 C ATOM 432 O ALA A 33 -2.311 5.515 8.421 1.00 0.00 O ATOM 433 CB ALA A 33 -5.537 5.326 7.864 1.00 0.00 C ATOM 0 H ALA A 33 -5.201 6.140 5.492 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.291 7.047 8.110 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.334 4.933 8.860 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.455 5.914 7.886 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.653 4.498 7.164 1.00 0.00 H new ATOM 439 N CYS A 34 -2.816 4.659 6.402 1.00 0.00 N ATOM 440 CA CYS A 34 -1.600 3.859 6.315 1.00 0.00 C ATOM 441 C CYS A 34 -0.400 4.730 5.956 1.00 0.00 C ATOM 442 O CYS A 34 0.677 4.590 6.534 1.00 0.00 O ATOM 443 CB CYS A 34 -1.768 2.749 5.277 1.00 0.00 C ATOM 444 SG CYS A 34 -2.599 1.271 5.904 1.00 0.00 S ATOM 0 H CYS A 34 -3.435 4.575 5.595 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.420 3.409 7.291 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.334 3.140 4.431 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.785 2.467 4.900 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.696 0.391 4.952 1.00 0.00 H new ATOM 450 N PHE A 35 -0.595 5.629 4.996 1.00 0.00 N ATOM 451 CA PHE A 35 0.472 6.522 4.558 1.00 0.00 C ATOM 452 C PHE A 35 0.174 7.963 4.959 1.00 0.00 C ATOM 453 O PHE A 35 -0.370 8.751 4.185 1.00 0.00 O ATOM 454 CB PHE A 35 0.651 6.430 3.041 1.00 0.00 C ATOM 455 CG PHE A 35 0.705 5.019 2.528 1.00 0.00 C ATOM 456 CD1 PHE A 35 -0.439 4.238 2.490 1.00 0.00 C ATOM 457 CD2 PHE A 35 1.898 4.474 2.084 1.00 0.00 C ATOM 458 CE1 PHE A 35 -0.392 2.939 2.019 1.00 0.00 C ATOM 459 CE2 PHE A 35 1.951 3.176 1.612 1.00 0.00 C ATOM 460 CZ PHE A 35 0.804 2.408 1.579 1.00 0.00 C ATOM 0 H PHE A 35 -1.481 5.758 4.507 1.00 0.00 H new ATOM 0 HA PHE A 35 1.396 6.211 5.046 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.171 6.954 2.554 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.569 6.946 2.760 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.378 4.648 2.832 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.798 5.070 2.107 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.290 2.340 1.995 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.888 2.763 1.269 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.842 1.394 1.210 1.00 0.00 H new ATOM 470 N PRO A 36 0.538 8.318 6.200 1.00 0.00 N ATOM 471 CA PRO A 36 0.320 9.666 6.734 1.00 0.00 C ATOM 472 C PRO A 36 1.216 10.705 6.069 1.00 0.00 C ATOM 473 O PRO A 36 0.773 11.810 5.753 1.00 0.00 O ATOM 474 CB PRO A 36 0.676 9.523 8.216 1.00 0.00 C ATOM 475 CG PRO A 36 1.622 8.373 8.268 1.00 0.00 C ATOM 476 CD PRO A 36 1.191 7.432 7.178 1.00 0.00 C ATOM 0 HA PRO A 36 -0.698 10.014 6.558 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.136 10.432 8.602 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.211 9.334 8.820 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.649 8.705 8.113 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.588 7.884 9.242 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.041 6.908 6.741 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.505 6.672 7.552 1.00 0.00 H new ATOM 484 N ASP A 37 2.477 10.344 5.858 1.00 0.00 N ATOM 485 CA ASP A 37 3.435 11.245 5.228 1.00 0.00 C ATOM 486 C ASP A 37 2.980 11.627 3.823 1.00 0.00 C ATOM 487 O ASP A 37 3.169 12.762 3.386 1.00 0.00 O ATOM 488 CB ASP A 37 4.818 10.594 5.171 1.00 0.00 C ATOM 489 CG ASP A 37 5.341 10.223 6.545 1.00 0.00 C ATOM 490 OD1 ASP A 37 5.067 10.972 7.505 1.00 0.00 O ATOM 491 OD2 ASP A 37 6.024 9.184 6.659 1.00 0.00 O ATOM 0 H ASP A 37 2.860 9.434 6.114 1.00 0.00 H new ATOM 0 HA ASP A 37 3.493 12.152 5.830 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.770 9.699 4.550 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.519 11.278 4.691 1.00 0.00 H new ATOM 496 N ILE A 38 2.380 10.671 3.121 1.00 0.00 N ATOM 497 CA ILE A 38 1.899 10.907 1.766 1.00 0.00 C ATOM 498 C ILE A 38 0.721 11.876 1.762 1.00 0.00 C ATOM 499 O ILE A 38 0.744 12.894 1.069 1.00 0.00 O ATOM 500 CB ILE A 38 1.471 9.594 1.084 1.00 0.00 C ATOM 501 CG1 ILE A 38 2.640 8.608 1.048 1.00 0.00 C ATOM 502 CG2 ILE A 38 0.960 9.870 -0.323 1.00 0.00 C ATOM 503 CD1 ILE A 38 3.909 9.195 0.471 1.00 0.00 C ATOM 0 H ILE A 38 2.216 9.726 3.469 1.00 0.00 H new ATOM 0 HA ILE A 38 2.728 11.343 1.208 1.00 0.00 H new ATOM 0 HB ILE A 38 0.662 9.148 1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.840 8.257 2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.352 7.737 0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.661 8.933 -0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.102 10.540 -0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.750 10.335 -0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.695 8.440 0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.726 9.521 -0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.222 10.048 1.073 1.00 0.00 H new ATOM 515 N ILE A 39 -0.306 11.554 2.541 1.00 0.00 N ATOM 516 CA ILE A 39 -1.491 12.397 2.630 1.00 0.00 C ATOM 517 C ILE A 39 -1.143 13.779 3.172 1.00 0.00 C ATOM 518 O ILE A 39 -1.747 14.779 2.785 1.00 0.00 O ATOM 519 CB ILE A 39 -2.568 11.762 3.529 1.00 0.00 C ATOM 520 CG1 ILE A 39 -3.843 12.608 3.510 1.00 0.00 C ATOM 521 CG2 ILE A 39 -2.049 11.608 4.950 1.00 0.00 C ATOM 522 CD1 ILE A 39 -4.585 12.555 2.193 1.00 0.00 C ATOM 0 H ILE A 39 -0.341 10.715 3.120 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.885 12.494 1.618 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.806 10.771 3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.506 12.268 4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.585 13.644 3.731 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.822 11.158 5.573 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.167 10.968 4.948 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.786 12.587 5.349 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.478 13.178 2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.939 12.923 1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.874 11.526 1.980 1.00 0.00 H new ATOM 534 N SER A 40 -0.163 13.827 4.069 1.00 0.00 N ATOM 535 CA SER A 40 0.265 15.087 4.667 1.00 0.00 C ATOM 536 C SER A 40 1.598 15.541 4.080 1.00 0.00 C ATOM 537 O SER A 40 2.427 16.128 4.774 1.00 0.00 O ATOM 538 CB SER A 40 0.386 14.940 6.185 1.00 0.00 C ATOM 539 OG SER A 40 0.621 16.195 6.801 1.00 0.00 O ATOM 0 H SER A 40 0.349 13.009 4.398 1.00 0.00 H new ATOM 0 HA SER A 40 -0.488 15.843 4.442 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.528 14.500 6.585 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.200 14.256 6.424 1.00 0.00 H new ATOM 0 HG SER A 40 1.425 16.603 6.416 1.00 0.00 H new ATOM 545 N GLY A 41 1.797 15.264 2.795 1.00 0.00 N ATOM 546 CA GLY A 41 3.030 15.651 2.135 1.00 0.00 C ATOM 547 C GLY A 41 2.797 16.610 0.985 1.00 0.00 C ATOM 548 O GLY A 41 1.669 17.020 0.709 1.00 0.00 O ATOM 0 H GLY A 41 1.126 14.778 2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.697 16.115 2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.535 14.759 1.763 1.00 0.00 H new ATOM 552 N PRO A 42 3.882 16.984 0.292 1.00 0.00 N ATOM 553 CA PRO A 42 3.816 17.907 -0.845 1.00 0.00 C ATOM 554 C PRO A 42 3.136 17.283 -2.059 1.00 0.00 C ATOM 555 O PRO A 42 3.265 16.085 -2.306 1.00 0.00 O ATOM 556 CB PRO A 42 5.287 18.202 -1.150 1.00 0.00 C ATOM 557 CG PRO A 42 6.025 17.013 -0.638 1.00 0.00 C ATOM 558 CD PRO A 42 5.258 16.535 0.564 1.00 0.00 C ATOM 0 HA PRO A 42 3.228 18.795 -0.614 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.450 18.339 -2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.618 19.116 -0.657 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.085 16.234 -1.398 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.048 17.275 -0.369 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.313 15.452 0.671 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.647 16.967 1.486 1.00 0.00 H new ATOM 566 N GLN A 43 2.411 18.104 -2.813 1.00 0.00 N ATOM 567 CA GLN A 43 1.711 17.632 -4.001 1.00 0.00 C ATOM 568 C GLN A 43 2.525 16.565 -4.725 1.00 0.00 C ATOM 569 O GLN A 43 2.004 15.509 -5.082 1.00 0.00 O ATOM 570 CB GLN A 43 1.422 18.799 -4.947 1.00 0.00 C ATOM 571 CG GLN A 43 0.181 18.596 -5.801 1.00 0.00 C ATOM 572 CD GLN A 43 -0.191 19.835 -6.592 1.00 0.00 C ATOM 573 OE1 GLN A 43 0.426 20.890 -6.443 1.00 0.00 O ATOM 574 NE2 GLN A 43 -1.205 19.713 -7.441 1.00 0.00 N ATOM 0 H GLN A 43 2.294 19.099 -2.622 1.00 0.00 H new ATOM 0 HA GLN A 43 0.767 17.189 -3.683 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.305 19.711 -4.361 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.282 18.948 -5.600 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.349 17.767 -6.489 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.654 18.314 -5.160 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.689 18.820 -7.533 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -1.500 20.513 -8.001 1.00 0.00 H new ATOM 583 N GLN A 44 3.806 16.848 -4.938 1.00 0.00 N ATOM 584 CA GLN A 44 4.692 15.913 -5.621 1.00 0.00 C ATOM 585 C GLN A 44 4.603 14.524 -4.996 1.00 0.00 C ATOM 586 O GLN A 44 4.220 13.558 -5.656 1.00 0.00 O ATOM 587 CB GLN A 44 6.136 16.416 -5.571 1.00 0.00 C ATOM 588 CG GLN A 44 7.038 15.781 -6.617 1.00 0.00 C ATOM 589 CD GLN A 44 8.492 16.174 -6.450 1.00 0.00 C ATOM 590 OE1 GLN A 44 8.807 17.175 -5.806 1.00 0.00 O ATOM 591 NE2 GLN A 44 9.389 15.385 -7.030 1.00 0.00 N ATOM 0 H GLN A 44 4.253 17.717 -4.647 1.00 0.00 H new ATOM 0 HA GLN A 44 4.375 15.845 -6.662 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.140 17.497 -5.708 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.547 16.218 -4.581 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.950 14.696 -6.557 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.698 16.074 -7.610 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.084 14.565 -7.554 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.383 15.599 -6.951 1.00 0.00 H new ATOM 600 N THR A 45 4.959 14.431 -3.719 1.00 0.00 N ATOM 601 CA THR A 45 4.921 13.161 -3.005 1.00 0.00 C ATOM 602 C THR A 45 3.597 12.440 -3.236 1.00 0.00 C ATOM 603 O THR A 45 3.576 11.287 -3.666 1.00 0.00 O ATOM 604 CB THR A 45 5.126 13.361 -1.491 1.00 0.00 C ATOM 605 OG1 THR A 45 6.441 13.868 -1.238 1.00 0.00 O ATOM 606 CG2 THR A 45 4.928 12.052 -0.741 1.00 0.00 C ATOM 0 H THR A 45 5.277 15.221 -3.157 1.00 0.00 H new ATOM 0 HA THR A 45 5.736 12.553 -3.397 1.00 0.00 H new ATOM 0 HB THR A 45 4.386 14.079 -1.138 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.621 13.844 -0.275 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.078 12.218 0.326 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.917 11.684 -0.913 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.648 11.315 -1.098 1.00 0.00 H new ATOM 614 N GLN A 46 2.497 13.127 -2.949 1.00 0.00 N ATOM 615 CA GLN A 46 1.169 12.551 -3.126 1.00 0.00 C ATOM 616 C GLN A 46 1.027 11.926 -4.510 1.00 0.00 C ATOM 617 O GLN A 46 0.542 10.803 -4.650 1.00 0.00 O ATOM 618 CB GLN A 46 0.094 13.620 -2.923 1.00 0.00 C ATOM 619 CG GLN A 46 -0.093 14.027 -1.470 1.00 0.00 C ATOM 620 CD GLN A 46 -1.155 15.094 -1.295 1.00 0.00 C ATOM 621 OE1 GLN A 46 -1.645 15.664 -2.270 1.00 0.00 O ATOM 622 NE2 GLN A 46 -1.518 15.370 -0.048 1.00 0.00 N ATOM 0 H GLN A 46 2.498 14.083 -2.593 1.00 0.00 H new ATOM 0 HA GLN A 46 1.038 11.768 -2.379 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.355 14.502 -3.508 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.854 13.249 -3.312 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.365 13.150 -0.883 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.854 14.394 -1.075 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.086 14.873 0.731 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.229 16.079 0.131 1.00 0.00 H new ATOM 631 N LYS A 47 1.453 12.662 -5.532 1.00 0.00 N ATOM 632 CA LYS A 47 1.374 12.181 -6.906 1.00 0.00 C ATOM 633 C LYS A 47 2.235 10.936 -7.097 1.00 0.00 C ATOM 634 O LYS A 47 1.763 9.912 -7.591 1.00 0.00 O ATOM 635 CB LYS A 47 1.821 13.276 -7.877 1.00 0.00 C ATOM 636 CG LYS A 47 0.893 14.478 -7.906 1.00 0.00 C ATOM 637 CD LYS A 47 0.896 15.152 -9.269 1.00 0.00 C ATOM 638 CE LYS A 47 2.101 16.063 -9.437 1.00 0.00 C ATOM 639 NZ LYS A 47 3.286 15.326 -9.956 1.00 0.00 N ATOM 0 H LYS A 47 1.856 13.594 -5.434 1.00 0.00 H new ATOM 0 HA LYS A 47 0.337 11.920 -7.114 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.822 13.607 -7.602 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.888 12.855 -8.880 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.120 14.163 -7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.200 15.194 -7.144 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.900 14.393 -10.051 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.019 15.731 -9.392 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.850 16.874 -10.120 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.348 16.519 -8.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.975 16.003 -10.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.726 14.787 -9.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.986 14.672 -10.707 1.00 0.00 H new ATOM 653 N VAL A 48 3.500 11.030 -6.700 1.00 0.00 N ATOM 654 CA VAL A 48 4.426 9.911 -6.825 1.00 0.00 C ATOM 655 C VAL A 48 3.832 8.638 -6.233 1.00 0.00 C ATOM 656 O VAL A 48 3.978 7.552 -6.795 1.00 0.00 O ATOM 657 CB VAL A 48 5.767 10.211 -6.129 1.00 0.00 C ATOM 658 CG1 VAL A 48 6.693 9.007 -6.213 1.00 0.00 C ATOM 659 CG2 VAL A 48 6.421 11.440 -6.741 1.00 0.00 C ATOM 0 H VAL A 48 3.907 11.870 -6.289 1.00 0.00 H new ATOM 0 HA VAL A 48 4.604 9.765 -7.890 1.00 0.00 H new ATOM 0 HB VAL A 48 5.572 10.417 -5.077 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.635 9.237 -5.716 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.224 8.153 -5.724 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.884 8.767 -7.259 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.367 11.637 -6.237 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.604 11.265 -7.801 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.761 12.300 -6.624 1.00 0.00 H new ATOM 669 N PHE A 49 3.161 8.778 -5.095 1.00 0.00 N ATOM 670 CA PHE A 49 2.544 7.639 -4.425 1.00 0.00 C ATOM 671 C PHE A 49 1.201 7.295 -5.062 1.00 0.00 C ATOM 672 O PHE A 49 0.809 6.129 -5.121 1.00 0.00 O ATOM 673 CB PHE A 49 2.354 7.938 -2.937 1.00 0.00 C ATOM 674 CG PHE A 49 1.227 7.167 -2.310 1.00 0.00 C ATOM 675 CD1 PHE A 49 -0.091 7.502 -2.578 1.00 0.00 C ATOM 676 CD2 PHE A 49 1.485 6.110 -1.453 1.00 0.00 C ATOM 677 CE1 PHE A 49 -1.131 6.795 -2.003 1.00 0.00 C ATOM 678 CE2 PHE A 49 0.449 5.399 -0.876 1.00 0.00 C ATOM 679 CZ PHE A 49 -0.860 5.743 -1.151 1.00 0.00 C ATOM 0 H PHE A 49 3.030 9.669 -4.617 1.00 0.00 H new ATOM 0 HA PHE A 49 3.208 6.781 -4.534 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.279 7.709 -2.408 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.169 9.005 -2.810 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.308 8.324 -3.243 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.507 5.838 -1.233 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.154 7.065 -2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.663 4.575 -0.211 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.671 5.190 -0.700 1.00 0.00 H new ATOM 689 N LEU A 50 0.500 8.319 -5.538 1.00 0.00 N ATOM 690 CA LEU A 50 -0.801 8.126 -6.171 1.00 0.00 C ATOM 691 C LEU A 50 -0.652 7.432 -7.521 1.00 0.00 C ATOM 692 O LEU A 50 -1.617 6.891 -8.062 1.00 0.00 O ATOM 693 CB LEU A 50 -1.506 9.472 -6.352 1.00 0.00 C ATOM 694 CG LEU A 50 -2.392 9.926 -5.191 1.00 0.00 C ATOM 695 CD1 LEU A 50 -2.785 11.386 -5.360 1.00 0.00 C ATOM 696 CD2 LEU A 50 -3.630 9.047 -5.090 1.00 0.00 C ATOM 0 H LEU A 50 0.810 9.290 -5.498 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.403 7.491 -5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.748 10.236 -6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.119 9.421 -7.252 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.825 9.828 -4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.415 11.692 -4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.887 12.004 -5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.334 11.509 -6.293 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.249 9.384 -4.259 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.200 9.113 -6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.329 8.013 -4.922 1.00 0.00 H new ATOM 708 N PHE A 51 0.563 7.449 -8.058 1.00 0.00 N ATOM 709 CA PHE A 51 0.839 6.819 -9.344 1.00 0.00 C ATOM 710 C PHE A 51 1.365 5.400 -9.154 1.00 0.00 C ATOM 711 O PHE A 51 1.190 4.541 -10.018 1.00 0.00 O ATOM 712 CB PHE A 51 1.853 7.649 -10.135 1.00 0.00 C ATOM 713 CG PHE A 51 2.357 6.961 -11.371 1.00 0.00 C ATOM 714 CD1 PHE A 51 3.217 5.878 -11.275 1.00 0.00 C ATOM 715 CD2 PHE A 51 1.972 7.396 -12.629 1.00 0.00 C ATOM 716 CE1 PHE A 51 3.683 5.242 -12.410 1.00 0.00 C ATOM 717 CE2 PHE A 51 2.434 6.764 -13.767 1.00 0.00 C ATOM 718 CZ PHE A 51 3.292 5.686 -13.658 1.00 0.00 C ATOM 0 H PHE A 51 1.372 7.892 -7.623 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.095 6.769 -9.903 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.393 8.596 -10.418 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.699 7.885 -9.490 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.527 5.527 -10.302 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.303 8.239 -12.721 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.352 4.399 -12.321 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.125 7.112 -14.742 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.656 5.192 -14.547 1.00 0.00 H new ATOM 728 N ILE A 52 2.011 5.162 -8.017 1.00 0.00 N ATOM 729 CA ILE A 52 2.562 3.848 -7.712 1.00 0.00 C ATOM 730 C ILE A 52 1.456 2.809 -7.562 1.00 0.00 C ATOM 731 O ILE A 52 1.588 1.676 -8.023 1.00 0.00 O ATOM 732 CB ILE A 52 3.404 3.876 -6.423 1.00 0.00 C ATOM 733 CG1 ILE A 52 4.706 4.645 -6.655 1.00 0.00 C ATOM 734 CG2 ILE A 52 3.696 2.459 -5.950 1.00 0.00 C ATOM 735 CD1 ILE A 52 5.329 5.176 -5.383 1.00 0.00 C ATOM 0 H ILE A 52 2.165 5.863 -7.292 1.00 0.00 H new ATOM 0 HA ILE A 52 3.204 3.573 -8.549 1.00 0.00 H new ATOM 0 HB ILE A 52 2.836 4.388 -5.646 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.421 3.991 -7.154 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.511 5.478 -7.330 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.292 2.495 -5.038 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.758 1.942 -5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.248 1.924 -6.723 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.248 5.710 -5.623 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.632 5.856 -4.893 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.556 4.345 -4.715 1.00 0.00 H new ATOM 747 N ARG A 53 0.365 3.205 -6.914 1.00 0.00 N ATOM 748 CA ARG A 53 -0.766 2.308 -6.703 1.00 0.00 C ATOM 749 C ARG A 53 -1.431 1.951 -8.029 1.00 0.00 C ATOM 750 O ARG A 53 -1.912 0.834 -8.212 1.00 0.00 O ATOM 751 CB ARG A 53 -1.787 2.953 -5.765 1.00 0.00 C ATOM 752 CG ARG A 53 -2.716 3.936 -6.458 1.00 0.00 C ATOM 753 CD ARG A 53 -3.999 4.142 -5.668 1.00 0.00 C ATOM 754 NE ARG A 53 -3.901 5.273 -4.751 1.00 0.00 N ATOM 755 CZ ARG A 53 -4.658 5.409 -3.667 1.00 0.00 C ATOM 756 NH1 ARG A 53 -5.563 4.487 -3.367 1.00 0.00 N ATOM 757 NH2 ARG A 53 -4.509 6.467 -2.881 1.00 0.00 N ATOM 0 H ARG A 53 0.240 4.140 -6.526 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.391 1.392 -6.246 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.384 2.170 -5.298 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.257 3.470 -4.965 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.208 4.892 -6.584 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.957 3.569 -7.456 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.827 4.305 -6.358 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.227 3.237 -5.105 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.214 5.999 -4.953 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.679 3.672 -3.969 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.143 4.593 -2.535 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.813 7.177 -3.108 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.090 6.570 -2.049 1.00 0.00 H new ATOM 771 N ASN A 54 -1.456 2.909 -8.950 1.00 0.00 N ATOM 772 CA ASN A 54 -2.064 2.697 -10.258 1.00 0.00 C ATOM 773 C ASN A 54 -1.218 1.748 -11.103 1.00 0.00 C ATOM 774 O ASN A 54 -1.685 0.689 -11.521 1.00 0.00 O ATOM 775 CB ASN A 54 -2.236 4.031 -10.987 1.00 0.00 C ATOM 776 CG ASN A 54 -3.029 5.035 -10.174 1.00 0.00 C ATOM 777 OD1 ASN A 54 -3.771 4.666 -9.263 1.00 0.00 O ATOM 778 ND2 ASN A 54 -2.877 6.313 -10.501 1.00 0.00 N ATOM 0 H ASN A 54 -1.062 3.840 -8.814 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.044 2.245 -10.106 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.255 4.446 -11.215 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.739 3.860 -11.939 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.386 7.034 -9.990 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.251 6.573 -11.263 1.00 0.00 H new ATOM 785 N ARG A 55 0.029 2.137 -11.350 1.00 0.00 N ATOM 786 CA ARG A 55 0.940 1.323 -12.146 1.00 0.00 C ATOM 787 C ARG A 55 0.925 -0.128 -11.673 1.00 0.00 C ATOM 788 O ARG A 55 0.931 -1.057 -12.483 1.00 0.00 O ATOM 789 CB ARG A 55 2.361 1.882 -12.064 1.00 0.00 C ATOM 790 CG ARG A 55 3.207 1.576 -13.289 1.00 0.00 C ATOM 791 CD ARG A 55 2.836 2.473 -14.460 1.00 0.00 C ATOM 792 NE ARG A 55 3.909 2.558 -15.447 1.00 0.00 N ATOM 793 CZ ARG A 55 4.137 1.627 -16.367 1.00 0.00 C ATOM 794 NH1 ARG A 55 3.369 0.548 -16.427 1.00 0.00 N ATOM 795 NH2 ARG A 55 5.134 1.776 -17.230 1.00 0.00 N ATOM 0 H ARG A 55 0.431 3.011 -11.010 1.00 0.00 H new ATOM 0 HA ARG A 55 0.604 1.354 -13.183 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.310 2.962 -11.929 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.853 1.473 -11.182 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.261 1.709 -13.047 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.074 0.532 -13.573 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.934 2.091 -14.938 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.603 3.472 -14.091 1.00 0.00 H new ATOM 0 HE ARG A 55 4.517 3.377 -15.429 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.601 0.431 -15.766 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.546 -0.165 -17.134 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.726 2.606 -17.187 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.309 1.061 -17.936 1.00 0.00 H new ATOM 809 N THR A 56 0.905 -0.317 -10.357 1.00 0.00 N ATOM 810 CA THR A 56 0.891 -1.654 -9.777 1.00 0.00 C ATOM 811 C THR A 56 -0.342 -2.433 -10.222 1.00 0.00 C ATOM 812 O THR A 56 -0.272 -3.639 -10.463 1.00 0.00 O ATOM 813 CB THR A 56 0.921 -1.598 -8.238 1.00 0.00 C ATOM 814 OG1 THR A 56 2.088 -0.895 -7.796 1.00 0.00 O ATOM 815 CG2 THR A 56 0.912 -3.000 -7.646 1.00 0.00 C ATOM 0 H THR A 56 0.898 0.439 -9.673 1.00 0.00 H new ATOM 0 HA THR A 56 1.787 -2.163 -10.133 1.00 0.00 H new ATOM 0 HB THR A 56 0.030 -1.071 -7.898 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.875 0.055 -7.686 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.934 -2.936 -6.558 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.008 -3.522 -7.961 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.788 -3.548 -7.995 1.00 0.00 H new ATOM 823 N LEU A 57 -1.468 -1.738 -10.330 1.00 0.00 N ATOM 824 CA LEU A 57 -2.717 -2.365 -10.748 1.00 0.00 C ATOM 825 C LEU A 57 -2.724 -2.617 -12.252 1.00 0.00 C ATOM 826 O LEU A 57 -3.159 -3.672 -12.712 1.00 0.00 O ATOM 827 CB LEU A 57 -3.907 -1.485 -10.360 1.00 0.00 C ATOM 828 CG LEU A 57 -4.345 -1.555 -8.897 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.314 -0.427 -8.576 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.977 -2.906 -8.593 1.00 0.00 C ATOM 0 H LEU A 57 -1.542 -0.740 -10.134 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.801 -3.325 -10.238 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.660 -0.450 -10.595 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.756 -1.760 -10.986 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.463 -1.439 -8.267 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.615 -0.493 -7.530 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.828 0.532 -8.754 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.194 -0.511 -9.213 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.283 -2.938 -7.547 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.849 -3.051 -9.230 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.252 -3.698 -8.783 1.00 0.00 H new ATOM 842 N GLN A 58 -2.239 -1.640 -13.012 1.00 0.00 N ATOM 843 CA GLN A 58 -2.188 -1.757 -14.465 1.00 0.00 C ATOM 844 C GLN A 58 -1.484 -3.044 -14.883 1.00 0.00 C ATOM 845 O GLN A 58 -2.072 -3.898 -15.549 1.00 0.00 O ATOM 846 CB GLN A 58 -1.471 -0.549 -15.070 1.00 0.00 C ATOM 847 CG GLN A 58 -2.241 0.753 -14.920 1.00 0.00 C ATOM 848 CD GLN A 58 -1.979 1.719 -16.059 1.00 0.00 C ATOM 849 OE1 GLN A 58 -0.960 2.410 -16.080 1.00 0.00 O ATOM 850 NE2 GLN A 58 -2.900 1.773 -17.014 1.00 0.00 N ATOM 0 H GLN A 58 -1.876 -0.760 -12.646 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.212 -1.787 -14.838 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.495 -0.441 -14.596 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.292 -0.736 -16.129 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.308 0.536 -14.870 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.968 1.226 -13.977 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.730 1.182 -16.956 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.778 2.405 -17.805 1.00 0.00 H new ATOM 859 N LEU A 59 -0.222 -3.177 -14.489 1.00 0.00 N ATOM 860 CA LEU A 59 0.563 -4.360 -14.824 1.00 0.00 C ATOM 861 C LEU A 59 -0.187 -5.634 -14.452 1.00 0.00 C ATOM 862 O LEU A 59 -0.151 -6.623 -15.184 1.00 0.00 O ATOM 863 CB LEU A 59 1.912 -4.320 -14.104 1.00 0.00 C ATOM 864 CG LEU A 59 2.721 -3.032 -14.263 1.00 0.00 C ATOM 865 CD1 LEU A 59 3.799 -2.943 -13.194 1.00 0.00 C ATOM 866 CD2 LEU A 59 3.337 -2.957 -15.652 1.00 0.00 C ATOM 0 H LEU A 59 0.279 -2.481 -13.937 1.00 0.00 H new ATOM 0 HA LEU A 59 0.732 -4.362 -15.901 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.739 -4.487 -13.041 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.518 -5.152 -14.463 1.00 0.00 H new ATOM 0 HG LEU A 59 2.046 -2.185 -14.141 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.364 -2.020 -13.323 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.335 -2.949 -12.208 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.472 -3.796 -13.284 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.909 -2.034 -15.747 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.998 -3.811 -15.804 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.546 -2.973 -16.402 1.00 0.00 H new ATOM 878 N TRP A 60 -0.867 -5.603 -13.312 1.00 0.00 N ATOM 879 CA TRP A 60 -1.629 -6.756 -12.844 1.00 0.00 C ATOM 880 C TRP A 60 -2.837 -7.010 -13.739 1.00 0.00 C ATOM 881 O TRP A 60 -3.231 -8.157 -13.955 1.00 0.00 O ATOM 882 CB TRP A 60 -2.085 -6.540 -11.400 1.00 0.00 C ATOM 883 CG TRP A 60 -3.370 -7.238 -11.072 1.00 0.00 C ATOM 884 CD1 TRP A 60 -4.625 -6.701 -11.102 1.00 0.00 C ATOM 885 CD2 TRP A 60 -3.524 -8.602 -10.664 1.00 0.00 C ATOM 886 NE1 TRP A 60 -5.551 -7.649 -10.736 1.00 0.00 N ATOM 887 CE2 TRP A 60 -4.901 -8.823 -10.464 1.00 0.00 C ATOM 888 CE3 TRP A 60 -2.634 -9.657 -10.451 1.00 0.00 C ATOM 889 CZ2 TRP A 60 -5.405 -10.057 -10.059 1.00 0.00 C ATOM 890 CZ3 TRP A 60 -3.136 -10.881 -10.049 1.00 0.00 C ATOM 891 CH2 TRP A 60 -4.511 -11.072 -9.857 1.00 0.00 C ATOM 0 H TRP A 60 -0.907 -4.792 -12.694 1.00 0.00 H new ATOM 0 HA TRP A 60 -0.979 -7.630 -12.885 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.306 -6.892 -10.724 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.204 -5.472 -11.220 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.856 -5.682 -11.373 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.559 -7.502 -10.677 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.573 -9.519 -10.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.464 -10.207 -9.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -2.457 -11.704 -9.880 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.872 -12.040 -9.543 1.00 0.00 H new ATOM 902 N LEU A 61 -3.420 -5.935 -14.258 1.00 0.00 N ATOM 903 CA LEU A 61 -4.584 -6.042 -15.131 1.00 0.00 C ATOM 904 C LEU A 61 -4.172 -6.459 -16.539 1.00 0.00 C ATOM 905 O LEU A 61 -5.017 -6.784 -17.373 1.00 0.00 O ATOM 906 CB LEU A 61 -5.333 -4.709 -15.180 1.00 0.00 C ATOM 907 CG LEU A 61 -6.420 -4.511 -14.123 1.00 0.00 C ATOM 908 CD1 LEU A 61 -7.038 -3.127 -14.246 1.00 0.00 C ATOM 909 CD2 LEU A 61 -7.488 -5.587 -14.247 1.00 0.00 C ATOM 0 H LEU A 61 -3.106 -4.979 -14.090 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.244 -6.808 -14.724 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.606 -3.903 -15.080 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.789 -4.607 -16.165 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.961 -4.596 -13.138 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.809 -3.004 -13.486 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.266 -2.370 -14.105 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.482 -3.013 -15.235 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.253 -5.430 -13.487 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.943 -5.535 -15.236 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.034 -6.568 -14.107 1.00 0.00 H new ATOM 921 N ASP A 62 -2.868 -6.450 -16.795 1.00 0.00 N ATOM 922 CA ASP A 62 -2.343 -6.831 -18.101 1.00 0.00 C ATOM 923 C ASP A 62 -1.808 -8.259 -18.076 1.00 0.00 C ATOM 924 O ASP A 62 -1.944 -9.000 -19.049 1.00 0.00 O ATOM 925 CB ASP A 62 -1.238 -5.866 -18.532 1.00 0.00 C ATOM 926 CG ASP A 62 -1.006 -5.881 -20.030 1.00 0.00 C ATOM 927 OD1 ASP A 62 -1.854 -5.334 -20.766 1.00 0.00 O ATOM 928 OD2 ASP A 62 0.022 -6.440 -20.466 1.00 0.00 O ATOM 0 H ASP A 62 -2.156 -6.183 -16.116 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.159 -6.781 -18.822 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.500 -4.855 -18.218 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.311 -6.128 -18.021 1.00 0.00 H new ATOM 933 N ASN A 63 -1.197 -8.637 -16.958 1.00 0.00 N ATOM 934 CA ASN A 63 -0.639 -9.976 -16.807 1.00 0.00 C ATOM 935 C ASN A 63 -1.086 -10.607 -15.492 1.00 0.00 C ATOM 936 O ASN A 63 -0.276 -11.071 -14.690 1.00 0.00 O ATOM 937 CB ASN A 63 0.889 -9.924 -16.867 1.00 0.00 C ATOM 938 CG ASN A 63 1.506 -9.510 -15.545 1.00 0.00 C ATOM 939 OD1 ASN A 63 0.920 -8.735 -14.790 1.00 0.00 O ATOM 940 ND2 ASN A 63 2.695 -10.027 -15.260 1.00 0.00 N ATOM 0 H ASN A 63 -1.076 -8.035 -16.143 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.008 -10.591 -17.628 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.272 -10.904 -17.153 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.196 -9.223 -17.643 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.160 -9.785 -14.385 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.144 -10.666 -15.916 1.00 0.00 H new ATOM 947 N PRO A 64 -2.408 -10.624 -15.263 1.00 0.00 N ATOM 948 CA PRO A 64 -2.993 -11.196 -14.047 1.00 0.00 C ATOM 949 C PRO A 64 -2.866 -12.715 -14.001 1.00 0.00 C ATOM 950 O PRO A 64 -3.361 -13.363 -13.078 1.00 0.00 O ATOM 951 CB PRO A 64 -4.465 -10.786 -14.135 1.00 0.00 C ATOM 952 CG PRO A 64 -4.720 -10.600 -15.591 1.00 0.00 C ATOM 953 CD PRO A 64 -3.432 -10.088 -16.175 1.00 0.00 C ATOM 0 HA PRO A 64 -2.490 -10.841 -13.147 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.115 -11.553 -13.714 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.654 -9.867 -13.579 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.014 -11.540 -16.059 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.532 -9.893 -15.758 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.285 -10.441 -17.196 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.411 -8.999 -16.208 1.00 0.00 H new ATOM 961 N LYS A 65 -2.198 -13.279 -15.002 1.00 0.00 N ATOM 962 CA LYS A 65 -2.003 -14.722 -15.075 1.00 0.00 C ATOM 963 C LYS A 65 -0.849 -15.161 -14.179 1.00 0.00 C ATOM 964 O LYS A 65 -0.635 -16.356 -13.969 1.00 0.00 O ATOM 965 CB LYS A 65 -1.732 -15.147 -16.520 1.00 0.00 C ATOM 966 CG LYS A 65 -0.699 -14.284 -17.225 1.00 0.00 C ATOM 967 CD LYS A 65 0.026 -15.059 -18.312 1.00 0.00 C ATOM 968 CE LYS A 65 1.030 -16.039 -17.723 1.00 0.00 C ATOM 969 NZ LYS A 65 1.638 -16.906 -18.770 1.00 0.00 N ATOM 0 H LYS A 65 -1.782 -12.758 -15.774 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.915 -15.206 -14.725 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.394 -16.183 -16.528 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.666 -15.113 -17.081 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.188 -13.413 -17.662 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.023 -13.913 -16.498 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.699 -15.600 -18.920 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.541 -14.363 -18.975 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.816 -15.488 -17.207 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.535 -16.662 -16.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.316 -17.559 -18.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.891 -17.451 -19.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.132 -16.314 -19.468 1.00 0.00 H new ATOM 983 N ILE A 66 -0.111 -14.190 -13.654 1.00 0.00 N ATOM 984 CA ILE A 66 1.019 -14.478 -12.779 1.00 0.00 C ATOM 985 C ILE A 66 1.036 -13.539 -11.577 1.00 0.00 C ATOM 986 O ILE A 66 0.684 -12.365 -11.690 1.00 0.00 O ATOM 987 CB ILE A 66 2.358 -14.357 -13.530 1.00 0.00 C ATOM 988 CG1 ILE A 66 2.763 -12.887 -13.661 1.00 0.00 C ATOM 989 CG2 ILE A 66 2.256 -15.008 -14.901 1.00 0.00 C ATOM 990 CD1 ILE A 66 4.143 -12.692 -14.249 1.00 0.00 C ATOM 0 H ILE A 66 -0.275 -13.197 -13.819 1.00 0.00 H new ATOM 0 HA ILE A 66 0.897 -15.505 -12.434 1.00 0.00 H new ATOM 0 HB ILE A 66 3.127 -14.877 -12.959 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.034 -12.372 -14.286 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.726 -12.419 -12.677 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.210 -14.915 -15.420 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.008 -16.063 -14.785 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.477 -14.514 -15.482 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.364 -11.627 -14.313 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.882 -13.178 -13.612 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.179 -13.130 -15.246 1.00 0.00 H new ATOM 1002 N GLN A 67 1.450 -14.064 -10.429 1.00 0.00 N ATOM 1003 CA GLN A 67 1.515 -13.272 -9.206 1.00 0.00 C ATOM 1004 C GLN A 67 2.472 -12.096 -9.370 1.00 0.00 C ATOM 1005 O GLN A 67 3.617 -12.267 -9.791 1.00 0.00 O ATOM 1006 CB GLN A 67 1.957 -14.145 -8.031 1.00 0.00 C ATOM 1007 CG GLN A 67 3.460 -14.366 -7.968 1.00 0.00 C ATOM 1008 CD GLN A 67 3.998 -15.071 -9.198 1.00 0.00 C ATOM 1009 OE1 GLN A 67 3.650 -16.220 -9.471 1.00 0.00 O ATOM 1010 NE2 GLN A 67 4.853 -14.385 -9.947 1.00 0.00 N ATOM 0 H GLN A 67 1.745 -15.034 -10.320 1.00 0.00 H new ATOM 0 HA GLN A 67 0.518 -12.880 -9.003 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.627 -13.682 -7.101 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.459 -15.112 -8.100 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.961 -13.404 -7.857 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.700 -14.954 -7.082 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.114 -13.435 -9.683 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.249 -14.808 -10.786 1.00 0.00 H new ATOM 1019 N LEU A 68 1.996 -10.902 -9.035 1.00 0.00 N ATOM 1020 CA LEU A 68 2.809 -9.696 -9.144 1.00 0.00 C ATOM 1021 C LEU A 68 3.639 -9.482 -7.882 1.00 0.00 C ATOM 1022 O LEU A 68 3.123 -9.046 -6.853 1.00 0.00 O ATOM 1023 CB LEU A 68 1.919 -8.478 -9.396 1.00 0.00 C ATOM 1024 CG LEU A 68 2.630 -7.217 -9.890 1.00 0.00 C ATOM 1025 CD1 LEU A 68 3.220 -7.444 -11.273 1.00 0.00 C ATOM 1026 CD2 LEU A 68 1.672 -6.035 -9.904 1.00 0.00 C ATOM 0 H LEU A 68 1.051 -10.743 -8.686 1.00 0.00 H new ATOM 0 HA LEU A 68 3.489 -9.821 -9.986 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.160 -8.753 -10.128 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.397 -8.237 -8.470 1.00 0.00 H new ATOM 0 HG LEU A 68 3.445 -6.990 -9.203 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.722 -6.536 -11.608 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.939 -8.262 -11.232 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.423 -7.697 -11.972 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.195 -5.147 -10.258 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.836 -6.252 -10.568 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.298 -5.858 -8.896 1.00 0.00 H new ATOM 1038 N THR A 69 4.929 -9.790 -7.969 1.00 0.00 N ATOM 1039 CA THR A 69 5.831 -9.630 -6.835 1.00 0.00 C ATOM 1040 C THR A 69 6.239 -8.172 -6.658 1.00 0.00 C ATOM 1041 O THR A 69 5.946 -7.328 -7.505 1.00 0.00 O ATOM 1042 CB THR A 69 7.098 -10.490 -7.000 1.00 0.00 C ATOM 1043 OG1 THR A 69 7.863 -10.026 -8.118 1.00 0.00 O ATOM 1044 CG2 THR A 69 6.737 -11.954 -7.199 1.00 0.00 C ATOM 0 H THR A 69 5.373 -10.152 -8.813 1.00 0.00 H new ATOM 0 HA THR A 69 5.288 -9.962 -5.950 1.00 0.00 H new ATOM 0 HB THR A 69 7.692 -10.399 -6.091 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.668 -10.577 -8.215 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.648 -12.541 -7.313 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.180 -12.312 -6.333 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.123 -12.059 -8.094 1.00 0.00 H new ATOM 1052 N PHE A 70 6.919 -7.883 -5.554 1.00 0.00 N ATOM 1053 CA PHE A 70 7.368 -6.525 -5.266 1.00 0.00 C ATOM 1054 C PHE A 70 8.451 -6.091 -6.249 1.00 0.00 C ATOM 1055 O PHE A 70 8.428 -4.971 -6.759 1.00 0.00 O ATOM 1056 CB PHE A 70 7.897 -6.434 -3.833 1.00 0.00 C ATOM 1057 CG PHE A 70 8.755 -5.226 -3.587 1.00 0.00 C ATOM 1058 CD1 PHE A 70 8.185 -4.016 -3.225 1.00 0.00 C ATOM 1059 CD2 PHE A 70 10.132 -5.300 -3.718 1.00 0.00 C ATOM 1060 CE1 PHE A 70 8.972 -2.903 -2.998 1.00 0.00 C ATOM 1061 CE2 PHE A 70 10.925 -4.190 -3.492 1.00 0.00 C ATOM 1062 CZ PHE A 70 10.344 -2.991 -3.131 1.00 0.00 C ATOM 0 H PHE A 70 7.171 -8.570 -4.844 1.00 0.00 H new ATOM 0 HA PHE A 70 6.515 -5.855 -5.374 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.053 -6.417 -3.143 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.474 -7.331 -3.609 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.113 -3.942 -3.119 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.592 -6.236 -4.000 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.515 -1.966 -2.717 1.00 0.00 H new ATOM 0 HE2 PHE A 70 11.997 -4.261 -3.598 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.961 -2.123 -2.953 1.00 0.00 H new ATOM 1072 N GLU A 71 9.400 -6.985 -6.508 1.00 0.00 N ATOM 1073 CA GLU A 71 10.493 -6.694 -7.428 1.00 0.00 C ATOM 1074 C GLU A 71 9.957 -6.286 -8.798 1.00 0.00 C ATOM 1075 O GLU A 71 10.193 -5.171 -9.262 1.00 0.00 O ATOM 1076 CB GLU A 71 11.410 -7.911 -7.568 1.00 0.00 C ATOM 1077 CG GLU A 71 12.471 -8.001 -6.485 1.00 0.00 C ATOM 1078 CD GLU A 71 13.728 -8.706 -6.957 1.00 0.00 C ATOM 1079 OE1 GLU A 71 13.606 -9.776 -7.589 1.00 0.00 O ATOM 1080 OE2 GLU A 71 14.834 -8.188 -6.694 1.00 0.00 O ATOM 0 H GLU A 71 9.434 -7.916 -6.094 1.00 0.00 H new ATOM 0 HA GLU A 71 11.066 -5.862 -7.019 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.804 -8.817 -7.547 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.899 -7.877 -8.542 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.727 -6.997 -6.148 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.063 -8.531 -5.625 1.00 0.00 H new ATOM 1087 N ALA A 72 9.235 -7.199 -9.439 1.00 0.00 N ATOM 1088 CA ALA A 72 8.664 -6.935 -10.754 1.00 0.00 C ATOM 1089 C ALA A 72 8.035 -5.547 -10.811 1.00 0.00 C ATOM 1090 O ALA A 72 8.427 -4.709 -11.624 1.00 0.00 O ATOM 1091 CB ALA A 72 7.634 -7.999 -11.105 1.00 0.00 C ATOM 0 H ALA A 72 9.032 -8.128 -9.069 1.00 0.00 H new ATOM 0 HA ALA A 72 9.470 -6.970 -11.487 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.216 -7.790 -12.089 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.112 -8.979 -11.115 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.836 -7.992 -10.363 1.00 0.00 H new ATOM 1097 N THR A 73 7.056 -5.310 -9.944 1.00 0.00 N ATOM 1098 CA THR A 73 6.372 -4.024 -9.897 1.00 0.00 C ATOM 1099 C THR A 73 7.368 -2.871 -9.863 1.00 0.00 C ATOM 1100 O THR A 73 7.176 -1.851 -10.525 1.00 0.00 O ATOM 1101 CB THR A 73 5.447 -3.925 -8.669 1.00 0.00 C ATOM 1102 OG1 THR A 73 4.486 -4.986 -8.692 1.00 0.00 O ATOM 1103 CG2 THR A 73 4.728 -2.584 -8.640 1.00 0.00 C ATOM 0 H THR A 73 6.719 -5.992 -9.265 1.00 0.00 H new ATOM 0 HA THR A 73 5.770 -3.953 -10.803 1.00 0.00 H new ATOM 0 HB THR A 73 6.061 -4.011 -7.772 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.871 -5.785 -8.275 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.081 -2.537 -7.764 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.461 -1.779 -8.593 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.126 -2.474 -9.542 1.00 0.00 H new ATOM 1111 N LEU A 74 8.434 -3.040 -9.087 1.00 0.00 N ATOM 1112 CA LEU A 74 9.463 -2.012 -8.967 1.00 0.00 C ATOM 1113 C LEU A 74 10.220 -1.844 -10.280 1.00 0.00 C ATOM 1114 O LEU A 74 10.244 -0.758 -10.859 1.00 0.00 O ATOM 1115 CB LEU A 74 10.439 -2.369 -7.845 1.00 0.00 C ATOM 1116 CG LEU A 74 11.778 -1.631 -7.860 1.00 0.00 C ATOM 1117 CD1 LEU A 74 11.663 -0.301 -7.132 1.00 0.00 C ATOM 1118 CD2 LEU A 74 12.868 -2.491 -7.236 1.00 0.00 C ATOM 0 H LEU A 74 8.608 -3.878 -8.532 1.00 0.00 H new ATOM 0 HA LEU A 74 8.973 -1.068 -8.728 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.950 -2.175 -6.890 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.637 -3.440 -7.890 1.00 0.00 H new ATOM 0 HG LEU A 74 12.049 -1.431 -8.897 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.626 0.210 -7.153 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.913 0.319 -7.623 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.368 -0.477 -6.097 1.00 0.00 H new ATOM 0 HD21 LEU A 74 13.814 -1.950 -7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.603 -2.722 -6.204 1.00 0.00 H new ATOM 0 HD23 LEU A 74 12.969 -3.418 -7.801 1.00 0.00 H new ATOM 1130 N GLN A 75 10.835 -2.926 -10.746 1.00 0.00 N ATOM 1131 CA GLN A 75 11.592 -2.898 -11.992 1.00 0.00 C ATOM 1132 C GLN A 75 10.807 -2.186 -13.089 1.00 0.00 C ATOM 1133 O GLN A 75 11.303 -1.245 -13.708 1.00 0.00 O ATOM 1134 CB GLN A 75 11.937 -4.320 -12.436 1.00 0.00 C ATOM 1135 CG GLN A 75 12.895 -5.035 -11.498 1.00 0.00 C ATOM 1136 CD GLN A 75 14.348 -4.717 -11.793 1.00 0.00 C ATOM 1137 OE1 GLN A 75 15.039 -5.482 -12.466 1.00 0.00 O ATOM 1138 NE2 GLN A 75 14.819 -3.581 -11.291 1.00 0.00 N ATOM 0 H GLN A 75 10.824 -3.833 -10.280 1.00 0.00 H new ATOM 0 HA GLN A 75 12.516 -2.347 -11.815 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.018 -4.900 -12.514 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.377 -4.284 -13.433 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.667 -4.755 -10.470 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.739 -6.111 -11.577 1.00 0.00 H new ATOM 0 HE21 GLN A 75 14.211 -2.977 -10.739 1.00 0.00 H new ATOM 0 HE22 GLN A 75 15.789 -3.313 -11.458 1.00 0.00 H new ATOM 1147 N GLN A 76 9.581 -2.643 -13.324 1.00 0.00 N ATOM 1148 CA GLN A 76 8.729 -2.049 -14.348 1.00 0.00 C ATOM 1149 C GLN A 76 8.492 -0.569 -14.068 1.00 0.00 C ATOM 1150 O GLN A 76 8.571 0.265 -14.972 1.00 0.00 O ATOM 1151 CB GLN A 76 7.391 -2.787 -14.418 1.00 0.00 C ATOM 1152 CG GLN A 76 7.520 -4.244 -14.833 1.00 0.00 C ATOM 1153 CD GLN A 76 6.332 -5.082 -14.402 1.00 0.00 C ATOM 1154 OE1 GLN A 76 5.593 -5.607 -15.235 1.00 0.00 O ATOM 1155 NE2 GLN A 76 6.143 -5.211 -13.094 1.00 0.00 N ATOM 0 H GLN A 76 9.156 -3.421 -12.820 1.00 0.00 H new ATOM 0 HA GLN A 76 9.238 -2.141 -15.307 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.907 -2.737 -13.443 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.739 -2.273 -15.124 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.626 -4.301 -15.916 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.430 -4.661 -14.401 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.781 -4.758 -12.439 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.360 -5.763 -12.744 1.00 0.00 H new ATOM 1164 N LEU A 77 8.202 -0.248 -12.812 1.00 0.00 N ATOM 1165 CA LEU A 77 7.954 1.133 -12.413 1.00 0.00 C ATOM 1166 C LEU A 77 9.082 2.046 -12.881 1.00 0.00 C ATOM 1167 O LEU A 77 10.189 1.588 -13.159 1.00 0.00 O ATOM 1168 CB LEU A 77 7.803 1.227 -10.894 1.00 0.00 C ATOM 1169 CG LEU A 77 6.374 1.148 -10.355 1.00 0.00 C ATOM 1170 CD1 LEU A 77 6.377 0.707 -8.900 1.00 0.00 C ATOM 1171 CD2 LEU A 77 5.673 2.490 -10.506 1.00 0.00 C ATOM 0 H LEU A 77 8.133 -0.925 -12.052 1.00 0.00 H new ATOM 0 HA LEU A 77 7.027 1.460 -12.885 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.386 0.425 -10.441 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.243 2.167 -10.563 1.00 0.00 H new ATOM 0 HG LEU A 77 5.826 0.407 -10.937 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.352 0.656 -8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.841 -0.276 -8.819 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.941 1.424 -8.304 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.657 2.416 -10.117 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.220 3.251 -9.949 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.639 2.766 -11.560 1.00 0.00 H new ATOM 1183 N GLU A 78 8.793 3.341 -12.964 1.00 0.00 N ATOM 1184 CA GLU A 78 9.785 4.319 -13.397 1.00 0.00 C ATOM 1185 C GLU A 78 9.921 5.444 -12.375 1.00 0.00 C ATOM 1186 O GLU A 78 8.955 6.144 -12.074 1.00 0.00 O ATOM 1187 CB GLU A 78 9.402 4.897 -14.761 1.00 0.00 C ATOM 1188 CG GLU A 78 8.058 5.607 -14.765 1.00 0.00 C ATOM 1189 CD GLU A 78 7.690 6.149 -16.133 1.00 0.00 C ATOM 1190 OE1 GLU A 78 7.760 5.380 -17.114 1.00 0.00 O ATOM 1191 OE2 GLU A 78 7.331 7.342 -16.222 1.00 0.00 O ATOM 0 H GLU A 78 7.881 3.737 -12.737 1.00 0.00 H new ATOM 0 HA GLU A 78 10.746 3.811 -13.483 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.174 5.597 -15.079 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.380 4.091 -15.495 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.284 4.915 -14.432 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.082 6.427 -14.048 1.00 0.00 H new ATOM 1198 N ALA A 79 11.129 5.611 -11.846 1.00 0.00 N ATOM 1199 CA ALA A 79 11.393 6.651 -10.859 1.00 0.00 C ATOM 1200 C ALA A 79 10.773 7.978 -11.281 1.00 0.00 C ATOM 1201 O ALA A 79 10.431 8.189 -12.445 1.00 0.00 O ATOM 1202 CB ALA A 79 12.892 6.810 -10.649 1.00 0.00 C ATOM 0 H ALA A 79 11.940 5.040 -12.084 1.00 0.00 H new ATOM 0 HA ALA A 79 10.935 6.349 -9.917 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.075 7.590 -9.910 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.312 5.868 -10.295 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.364 7.086 -11.592 1.00 0.00 H new ATOM 1208 N PRO A 80 10.622 8.896 -10.315 1.00 0.00 N ATOM 1209 CA PRO A 80 11.024 8.656 -8.926 1.00 0.00 C ATOM 1210 C PRO A 80 10.130 7.634 -8.231 1.00 0.00 C ATOM 1211 O PRO A 80 10.354 7.285 -7.072 1.00 0.00 O ATOM 1212 CB PRO A 80 10.874 10.031 -8.270 1.00 0.00 C ATOM 1213 CG PRO A 80 9.854 10.735 -9.097 1.00 0.00 C ATOM 1214 CD PRO A 80 10.046 10.238 -10.503 1.00 0.00 C ATOM 0 HA PRO A 80 12.031 8.244 -8.859 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.550 9.942 -7.233 1.00 0.00 H new ATOM 0 HB3 PRO A 80 11.820 10.572 -8.263 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.847 10.519 -8.741 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.986 11.816 -9.044 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.102 10.198 -11.047 1.00 0.00 H new ATOM 0 HD3 PRO A 80 10.714 10.886 -11.071 1.00 0.00 H new ATOM 1222 N TYR A 81 9.116 7.159 -8.947 1.00 0.00 N ATOM 1223 CA TYR A 81 8.187 6.179 -8.399 1.00 0.00 C ATOM 1224 C TYR A 81 8.937 5.007 -7.773 1.00 0.00 C ATOM 1225 O TYR A 81 8.687 4.637 -6.626 1.00 0.00 O ATOM 1226 CB TYR A 81 7.245 5.670 -9.492 1.00 0.00 C ATOM 1227 CG TYR A 81 6.657 6.771 -10.345 1.00 0.00 C ATOM 1228 CD1 TYR A 81 6.384 8.023 -9.806 1.00 0.00 C ATOM 1229 CD2 TYR A 81 6.374 6.560 -11.689 1.00 0.00 C ATOM 1230 CE1 TYR A 81 5.846 9.032 -10.582 1.00 0.00 C ATOM 1231 CE2 TYR A 81 5.838 7.564 -12.472 1.00 0.00 C ATOM 1232 CZ TYR A 81 5.575 8.798 -11.914 1.00 0.00 C ATOM 1233 OH TYR A 81 5.039 9.799 -12.690 1.00 0.00 O ATOM 0 H TYR A 81 8.917 7.437 -9.908 1.00 0.00 H new ATOM 0 HA TYR A 81 7.600 6.669 -7.622 1.00 0.00 H new ATOM 0 HB2 TYR A 81 7.788 4.976 -10.133 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.434 5.108 -9.028 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.596 8.210 -8.764 1.00 0.00 H new ATOM 0 HD2 TYR A 81 6.577 5.595 -12.129 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.639 9.999 -10.148 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.626 7.384 -13.516 1.00 0.00 H new ATOM 0 HH TYR A 81 4.910 9.471 -13.604 1.00 0.00 H new ATOM 1243 N ASN A 82 9.859 4.428 -8.535 1.00 0.00 N ATOM 1244 CA ASN A 82 10.647 3.298 -8.056 1.00 0.00 C ATOM 1245 C ASN A 82 11.796 3.772 -7.171 1.00 0.00 C ATOM 1246 O ASN A 82 12.268 3.038 -6.303 1.00 0.00 O ATOM 1247 CB ASN A 82 11.196 2.496 -9.238 1.00 0.00 C ATOM 1248 CG ASN A 82 12.082 3.331 -10.142 1.00 0.00 C ATOM 1249 OD1 ASN A 82 12.572 4.388 -9.746 1.00 0.00 O ATOM 1250 ND2 ASN A 82 12.290 2.859 -11.366 1.00 0.00 N ATOM 0 H ASN A 82 10.079 4.722 -9.486 1.00 0.00 H new ATOM 0 HA ASN A 82 9.995 2.658 -7.462 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.764 1.644 -8.863 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.365 2.095 -9.818 1.00 0.00 H new ATOM 0 HD21 ASN A 82 12.876 3.378 -12.020 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.864 1.978 -11.652 1.00 0.00 H new ATOM 1257 N SER A 83 12.240 5.004 -7.398 1.00 0.00 N ATOM 1258 CA SER A 83 13.336 5.576 -6.623 1.00 0.00 C ATOM 1259 C SER A 83 13.179 5.254 -5.140 1.00 0.00 C ATOM 1260 O SER A 83 14.139 4.869 -4.472 1.00 0.00 O ATOM 1261 CB SER A 83 13.394 7.092 -6.824 1.00 0.00 C ATOM 1262 OG SER A 83 14.437 7.668 -6.058 1.00 0.00 O ATOM 0 H SER A 83 11.858 5.625 -8.111 1.00 0.00 H new ATOM 0 HA SER A 83 14.267 5.134 -6.976 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.547 7.316 -7.880 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.441 7.537 -6.539 1.00 0.00 H new ATOM 0 HG SER A 83 14.454 8.637 -6.205 1.00 0.00 H new ATOM 1268 N ASP A 84 11.962 5.413 -4.632 1.00 0.00 N ATOM 1269 CA ASP A 84 11.677 5.138 -3.229 1.00 0.00 C ATOM 1270 C ASP A 84 11.082 3.744 -3.058 1.00 0.00 C ATOM 1271 O ASP A 84 9.876 3.549 -3.212 1.00 0.00 O ATOM 1272 CB ASP A 84 10.719 6.189 -2.666 1.00 0.00 C ATOM 1273 CG ASP A 84 11.184 7.605 -2.942 1.00 0.00 C ATOM 1274 OD1 ASP A 84 12.395 7.871 -2.790 1.00 0.00 O ATOM 1275 OD2 ASP A 84 10.338 8.447 -3.309 1.00 0.00 O ATOM 0 H ASP A 84 11.157 5.731 -5.171 1.00 0.00 H new ATOM 0 HA ASP A 84 12.616 5.182 -2.677 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.730 6.044 -3.100 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.619 6.046 -1.590 1.00 0.00 H new ATOM 1280 N THR A 85 11.935 2.776 -2.739 1.00 0.00 N ATOM 1281 CA THR A 85 11.495 1.400 -2.549 1.00 0.00 C ATOM 1282 C THR A 85 10.544 1.286 -1.363 1.00 0.00 C ATOM 1283 O THR A 85 9.511 0.622 -1.444 1.00 0.00 O ATOM 1284 CB THR A 85 12.689 0.453 -2.329 1.00 0.00 C ATOM 1285 OG1 THR A 85 13.500 0.930 -1.249 1.00 0.00 O ATOM 1286 CG2 THR A 85 13.531 0.341 -3.591 1.00 0.00 C ATOM 0 H THR A 85 12.936 2.920 -2.607 1.00 0.00 H new ATOM 0 HA THR A 85 10.972 1.107 -3.460 1.00 0.00 H new ATOM 0 HB THR A 85 12.300 -0.535 -2.082 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.256 0.321 -1.114 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.368 -0.333 -3.411 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.919 -0.050 -4.404 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.910 1.326 -3.864 1.00 0.00 H new ATOM 1294 N VAL A 86 10.901 1.937 -0.260 1.00 0.00 N ATOM 1295 CA VAL A 86 10.079 1.910 0.944 1.00 0.00 C ATOM 1296 C VAL A 86 8.610 2.145 0.611 1.00 0.00 C ATOM 1297 O VAL A 86 7.722 1.521 1.194 1.00 0.00 O ATOM 1298 CB VAL A 86 10.539 2.970 1.962 1.00 0.00 C ATOM 1299 CG1 VAL A 86 10.056 4.352 1.550 1.00 0.00 C ATOM 1300 CG2 VAL A 86 10.046 2.617 3.357 1.00 0.00 C ATOM 0 H VAL A 86 11.754 2.490 -0.176 1.00 0.00 H new ATOM 0 HA VAL A 86 10.195 0.920 1.385 1.00 0.00 H new ATOM 0 HB VAL A 86 11.629 2.984 1.979 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.391 5.087 2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.463 4.603 0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.967 4.358 1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.380 3.376 4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.957 2.574 3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.447 1.647 3.650 1.00 0.00 H new ATOM 1310 N LEU A 87 8.359 3.049 -0.330 1.00 0.00 N ATOM 1311 CA LEU A 87 6.996 3.367 -0.742 1.00 0.00 C ATOM 1312 C LEU A 87 6.401 2.236 -1.573 1.00 0.00 C ATOM 1313 O LEU A 87 5.264 1.819 -1.350 1.00 0.00 O ATOM 1314 CB LEU A 87 6.976 4.670 -1.543 1.00 0.00 C ATOM 1315 CG LEU A 87 5.638 5.409 -1.589 1.00 0.00 C ATOM 1316 CD1 LEU A 87 5.155 5.726 -0.182 1.00 0.00 C ATOM 1317 CD2 LEU A 87 5.760 6.683 -2.412 1.00 0.00 C ATOM 0 H LEU A 87 9.082 3.575 -0.822 1.00 0.00 H new ATOM 0 HA LEU A 87 6.390 3.490 0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.725 5.342 -1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.282 4.449 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 87 4.903 4.761 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.202 6.252 -0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.028 4.799 0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.889 6.355 0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.798 7.196 -2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.509 7.336 -1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.060 6.432 -3.429 1.00 0.00 H new ATOM 1329 N VAL A 88 7.177 1.741 -2.532 1.00 0.00 N ATOM 1330 CA VAL A 88 6.727 0.655 -3.395 1.00 0.00 C ATOM 1331 C VAL A 88 6.415 -0.597 -2.585 1.00 0.00 C ATOM 1332 O VAL A 88 5.583 -1.415 -2.981 1.00 0.00 O ATOM 1333 CB VAL A 88 7.784 0.313 -4.463 1.00 0.00 C ATOM 1334 CG1 VAL A 88 7.352 -0.900 -5.272 1.00 0.00 C ATOM 1335 CG2 VAL A 88 8.031 1.509 -5.370 1.00 0.00 C ATOM 0 H VAL A 88 8.120 2.075 -2.731 1.00 0.00 H new ATOM 0 HA VAL A 88 5.819 0.999 -3.890 1.00 0.00 H new ATOM 0 HB VAL A 88 8.719 0.069 -3.959 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.111 -1.127 -6.021 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.231 -1.756 -4.608 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.405 -0.688 -5.768 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.780 1.250 -6.118 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.102 1.786 -5.868 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.388 2.349 -4.775 1.00 0.00 H new ATOM 1345 N HIS A 89 7.087 -0.743 -1.447 1.00 0.00 N ATOM 1346 CA HIS A 89 6.881 -1.896 -0.579 1.00 0.00 C ATOM 1347 C HIS A 89 5.631 -1.715 0.277 1.00 0.00 C ATOM 1348 O HIS A 89 4.913 -2.676 0.556 1.00 0.00 O ATOM 1349 CB HIS A 89 8.101 -2.111 0.317 1.00 0.00 C ATOM 1350 CG HIS A 89 7.945 -3.250 1.277 1.00 0.00 C ATOM 1351 ND1 HIS A 89 8.749 -4.371 1.253 1.00 0.00 N ATOM 1352 CD2 HIS A 89 7.073 -3.437 2.295 1.00 0.00 C ATOM 1353 CE1 HIS A 89 8.376 -5.198 2.213 1.00 0.00 C ATOM 1354 NE2 HIS A 89 7.361 -4.655 2.861 1.00 0.00 N ATOM 0 H HIS A 89 7.779 -0.076 -1.105 1.00 0.00 H new ATOM 0 HA HIS A 89 6.744 -2.775 -1.209 1.00 0.00 H new ATOM 0 HB2 HIS A 89 8.974 -2.292 -0.310 1.00 0.00 H new ATOM 0 HB3 HIS A 89 8.295 -1.197 0.879 1.00 0.00 H new ATOM 0 HD2 HIS A 89 6.295 -2.755 2.605 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.825 -6.156 2.431 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.871 -5.072 3.652 1.00 0.00 H new ATOM 1363 N ARG A 90 5.378 -0.478 0.692 1.00 0.00 N ATOM 1364 CA ARG A 90 4.216 -0.172 1.518 1.00 0.00 C ATOM 1365 C ARG A 90 2.944 -0.137 0.675 1.00 0.00 C ATOM 1366 O ARG A 90 1.881 -0.570 1.120 1.00 0.00 O ATOM 1367 CB ARG A 90 4.408 1.170 2.227 1.00 0.00 C ATOM 1368 CG ARG A 90 5.479 1.141 3.305 1.00 0.00 C ATOM 1369 CD ARG A 90 5.857 2.545 3.752 1.00 0.00 C ATOM 1370 NE ARG A 90 5.038 3.002 4.871 1.00 0.00 N ATOM 1371 CZ ARG A 90 5.029 4.255 5.311 1.00 0.00 C ATOM 1372 NH1 ARG A 90 5.790 5.172 4.729 1.00 0.00 N ATOM 1373 NH2 ARG A 90 4.256 4.594 6.335 1.00 0.00 N ATOM 0 H ARG A 90 5.962 0.328 0.470 1.00 0.00 H new ATOM 0 HA ARG A 90 4.114 -0.959 2.265 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.669 1.928 1.488 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.462 1.473 2.675 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.120 0.570 4.161 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.363 0.628 2.927 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.908 2.563 4.041 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.745 3.234 2.915 1.00 0.00 H new ATOM 0 HE ARG A 90 4.440 2.322 5.340 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.385 4.916 3.941 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.781 6.133 5.069 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.668 3.892 6.785 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.250 5.557 6.672 1.00 0.00 H new ATOM 1387 N VAL A 91 3.061 0.381 -0.543 1.00 0.00 N ATOM 1388 CA VAL A 91 1.922 0.472 -1.448 1.00 0.00 C ATOM 1389 C VAL A 91 1.573 -0.892 -2.032 1.00 0.00 C ATOM 1390 O VAL A 91 0.433 -1.349 -1.933 1.00 0.00 O ATOM 1391 CB VAL A 91 2.197 1.456 -2.600 1.00 0.00 C ATOM 1392 CG1 VAL A 91 1.032 1.474 -3.578 1.00 0.00 C ATOM 1393 CG2 VAL A 91 2.469 2.851 -2.057 1.00 0.00 C ATOM 0 H VAL A 91 3.934 0.744 -0.926 1.00 0.00 H new ATOM 0 HA VAL A 91 1.080 0.838 -0.860 1.00 0.00 H new ATOM 0 HB VAL A 91 3.085 1.120 -3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.245 2.175 -4.385 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.890 0.476 -3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.125 1.784 -3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.661 3.533 -2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.602 3.198 -1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.339 2.823 -1.401 1.00 0.00 H new ATOM 1403 N HIS A 92 2.562 -1.540 -2.639 1.00 0.00 N ATOM 1404 CA HIS A 92 2.360 -2.855 -3.239 1.00 0.00 C ATOM 1405 C HIS A 92 1.845 -3.850 -2.204 1.00 0.00 C ATOM 1406 O HIS A 92 1.276 -4.885 -2.553 1.00 0.00 O ATOM 1407 CB HIS A 92 3.665 -3.366 -3.849 1.00 0.00 C ATOM 1408 CG HIS A 92 3.512 -4.654 -4.598 1.00 0.00 C ATOM 1409 ND1 HIS A 92 3.410 -5.880 -3.975 1.00 0.00 N ATOM 1410 CD2 HIS A 92 3.441 -4.902 -5.927 1.00 0.00 C ATOM 1411 CE1 HIS A 92 3.286 -6.826 -4.888 1.00 0.00 C ATOM 1412 NE2 HIS A 92 3.301 -6.259 -6.081 1.00 0.00 N ATOM 0 H HIS A 92 3.511 -1.177 -2.729 1.00 0.00 H new ATOM 0 HA HIS A 92 1.613 -2.757 -4.027 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.062 -2.608 -4.524 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.399 -3.502 -3.055 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.486 -4.169 -6.719 1.00 0.00 H new ATOM 0 HE1 HIS A 92 3.189 -7.884 -4.692 1.00 0.00 H new ATOM 0 HE2 HIS A 92 3.221 -6.750 -6.972 1.00 0.00 H new ATOM 1421 N SER A 93 2.047 -3.530 -0.930 1.00 0.00 N ATOM 1422 CA SER A 93 1.607 -4.399 0.156 1.00 0.00 C ATOM 1423 C SER A 93 0.149 -4.126 0.512 1.00 0.00 C ATOM 1424 O SER A 93 -0.707 -5.003 0.387 1.00 0.00 O ATOM 1425 CB SER A 93 2.491 -4.198 1.388 1.00 0.00 C ATOM 1426 OG SER A 93 2.681 -2.821 1.661 1.00 0.00 O ATOM 0 H SER A 93 2.512 -2.676 -0.624 1.00 0.00 H new ATOM 0 HA SER A 93 1.694 -5.432 -0.180 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.034 -4.683 2.250 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.457 -4.677 1.228 1.00 0.00 H new ATOM 0 HG SER A 93 3.637 -2.610 1.628 1.00 0.00 H new ATOM 1432 N TYR A 94 -0.127 -2.905 0.957 1.00 0.00 N ATOM 1433 CA TYR A 94 -1.480 -2.517 1.334 1.00 0.00 C ATOM 1434 C TYR A 94 -2.487 -2.950 0.273 1.00 0.00 C ATOM 1435 O TYR A 94 -3.638 -3.262 0.583 1.00 0.00 O ATOM 1436 CB TYR A 94 -1.560 -1.003 1.540 1.00 0.00 C ATOM 1437 CG TYR A 94 -2.925 -0.423 1.247 1.00 0.00 C ATOM 1438 CD1 TYR A 94 -3.315 -0.134 -0.055 1.00 0.00 C ATOM 1439 CD2 TYR A 94 -3.827 -0.166 2.273 1.00 0.00 C ATOM 1440 CE1 TYR A 94 -4.561 0.397 -0.326 1.00 0.00 C ATOM 1441 CE2 TYR A 94 -5.076 0.363 2.010 1.00 0.00 C ATOM 1442 CZ TYR A 94 -5.438 0.643 0.709 1.00 0.00 C ATOM 1443 OH TYR A 94 -6.681 1.170 0.443 1.00 0.00 O ATOM 0 H TYR A 94 0.569 -2.167 1.065 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.727 -3.019 2.270 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.289 -0.770 2.570 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.823 -0.518 0.899 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.632 -0.328 -0.869 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.547 -0.384 3.293 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.847 0.618 -1.344 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.765 0.556 2.819 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.320 0.857 1.116 1.00 0.00 H new ATOM 1453 N LEU A 95 -2.046 -2.969 -0.980 1.00 0.00 N ATOM 1454 CA LEU A 95 -2.907 -3.365 -2.088 1.00 0.00 C ATOM 1455 C LEU A 95 -3.161 -4.869 -2.070 1.00 0.00 C ATOM 1456 O LEU A 95 -4.278 -5.315 -1.810 1.00 0.00 O ATOM 1457 CB LEU A 95 -2.275 -2.960 -3.421 1.00 0.00 C ATOM 1458 CG LEU A 95 -2.038 -1.463 -3.624 1.00 0.00 C ATOM 1459 CD1 LEU A 95 -0.947 -1.231 -4.658 1.00 0.00 C ATOM 1460 CD2 LEU A 95 -3.327 -0.771 -4.041 1.00 0.00 C ATOM 0 H LEU A 95 -1.097 -2.715 -1.254 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.862 -2.852 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.319 -3.475 -3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.915 -3.319 -4.227 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.709 -1.035 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.792 -0.160 -4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.020 -1.693 -4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.246 -1.674 -5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.140 0.294 -4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.686 -1.202 -4.976 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.081 -0.908 -3.266 1.00 0.00 H new ATOM 1472 N GLU A 96 -2.117 -5.644 -2.344 1.00 0.00 N ATOM 1473 CA GLU A 96 -2.228 -7.098 -2.357 1.00 0.00 C ATOM 1474 C GLU A 96 -2.894 -7.604 -1.081 1.00 0.00 C ATOM 1475 O GLU A 96 -3.852 -8.376 -1.132 1.00 0.00 O ATOM 1476 CB GLU A 96 -0.846 -7.736 -2.512 1.00 0.00 C ATOM 1477 CG GLU A 96 -0.875 -9.255 -2.528 1.00 0.00 C ATOM 1478 CD GLU A 96 -0.818 -9.855 -1.137 1.00 0.00 C ATOM 1479 OE1 GLU A 96 -1.876 -9.933 -0.479 1.00 0.00 O ATOM 1480 OE2 GLU A 96 0.287 -10.247 -0.706 1.00 0.00 O ATOM 0 H GLU A 96 -1.185 -5.290 -2.560 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.848 -7.382 -3.207 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.392 -7.380 -3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.207 -7.402 -1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.783 -9.592 -3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.033 -9.624 -3.114 1.00 0.00 H new ATOM 1487 N ARG A 97 -2.379 -7.164 0.063 1.00 0.00 N ATOM 1488 CA ARG A 97 -2.922 -7.574 1.352 1.00 0.00 C ATOM 1489 C ARG A 97 -4.419 -7.287 1.428 1.00 0.00 C ATOM 1490 O ARG A 97 -5.185 -8.075 1.984 1.00 0.00 O ATOM 1491 CB ARG A 97 -2.196 -6.850 2.488 1.00 0.00 C ATOM 1492 CG ARG A 97 -0.861 -7.478 2.855 1.00 0.00 C ATOM 1493 CD ARG A 97 -1.041 -8.656 3.800 1.00 0.00 C ATOM 1494 NE ARG A 97 0.232 -9.117 4.348 1.00 0.00 N ATOM 1495 CZ ARG A 97 1.114 -9.831 3.657 1.00 0.00 C ATOM 1496 NH1 ARG A 97 0.863 -10.162 2.398 1.00 0.00 N ATOM 1497 NH2 ARG A 97 2.250 -10.213 4.225 1.00 0.00 N ATOM 0 H ARG A 97 -1.587 -6.524 0.123 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.769 -8.648 1.457 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.033 -5.812 2.200 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -2.837 -6.839 3.369 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.353 -7.811 1.950 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.222 -6.729 3.323 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -1.704 -8.368 4.616 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -1.526 -9.476 3.269 1.00 0.00 H new ATOM 0 HE ARG A 97 0.456 -8.878 5.314 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.009 -9.868 1.958 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.542 -10.710 1.870 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.447 -9.959 5.193 1.00 0.00 H new ATOM 0 HH22 ARG A 97 2.927 -10.761 3.694 1.00 0.00 H new ATOM 1511 N HIS A 98 -4.829 -6.154 0.865 1.00 0.00 N ATOM 1512 CA HIS A 98 -6.234 -5.764 0.869 1.00 0.00 C ATOM 1513 C HIS A 98 -6.996 -6.467 -0.251 1.00 0.00 C ATOM 1514 O HIS A 98 -8.114 -6.082 -0.590 1.00 0.00 O ATOM 1515 CB HIS A 98 -6.364 -4.248 0.717 1.00 0.00 C ATOM 1516 CG HIS A 98 -6.074 -3.493 1.977 1.00 0.00 C ATOM 1517 ND1 HIS A 98 -6.668 -2.287 2.285 1.00 0.00 N ATOM 1518 CD2 HIS A 98 -5.249 -3.779 3.011 1.00 0.00 C ATOM 1519 CE1 HIS A 98 -6.219 -1.863 3.453 1.00 0.00 C ATOM 1520 NE2 HIS A 98 -5.357 -2.751 3.915 1.00 0.00 N ATOM 0 H HIS A 98 -4.208 -5.491 0.401 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.667 -6.065 1.823 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.683 -3.910 -0.064 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.374 -4.010 0.385 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.622 -4.653 3.107 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -6.508 -0.946 3.946 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -4.853 -2.684 4.800 1.00 0.00 H new ATOM 1529 N GLY A 99 -6.382 -7.499 -0.821 1.00 0.00 N ATOM 1530 CA GLY A 99 -7.016 -8.238 -1.897 1.00 0.00 C ATOM 1531 C GLY A 99 -7.278 -7.376 -3.117 1.00 0.00 C ATOM 1532 O GLY A 99 -8.318 -7.503 -3.764 1.00 0.00 O ATOM 0 H GLY A 99 -5.456 -7.837 -0.557 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.382 -9.078 -2.179 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.958 -8.655 -1.541 1.00 0.00 H new ATOM 1536 N LEU A 100 -6.334 -6.496 -3.431 1.00 0.00 N ATOM 1537 CA LEU A 100 -6.468 -5.608 -4.581 1.00 0.00 C ATOM 1538 C LEU A 100 -5.666 -6.131 -5.768 1.00 0.00 C ATOM 1539 O LEU A 100 -5.934 -5.773 -6.916 1.00 0.00 O ATOM 1540 CB LEU A 100 -6.002 -4.197 -4.217 1.00 0.00 C ATOM 1541 CG LEU A 100 -6.752 -3.517 -3.072 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -6.751 -2.007 -3.255 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -8.177 -4.043 -2.980 1.00 0.00 C ATOM 0 H LEU A 100 -5.468 -6.378 -2.906 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.520 -5.575 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.945 -4.241 -3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.086 -3.568 -5.104 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.239 -3.750 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.290 -1.540 -2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.724 -1.643 -3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.239 -1.754 -4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.695 -3.547 -2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.700 -3.841 -3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.157 -5.118 -2.800 1.00 0.00 H new ATOM 1555 N ILE A 101 -4.685 -6.980 -5.485 1.00 0.00 N ATOM 1556 CA ILE A 101 -3.847 -7.554 -6.531 1.00 0.00 C ATOM 1557 C ILE A 101 -3.378 -8.955 -6.152 1.00 0.00 C ATOM 1558 O ILE A 101 -3.169 -9.254 -4.977 1.00 0.00 O ATOM 1559 CB ILE A 101 -2.617 -6.672 -6.815 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -1.799 -6.473 -5.537 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -3.048 -5.331 -7.389 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -0.400 -5.958 -5.789 1.00 0.00 C ATOM 0 H ILE A 101 -4.450 -7.286 -4.541 1.00 0.00 H new ATOM 0 HA ILE A 101 -4.459 -7.609 -7.431 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.990 -7.175 -7.551 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.323 -5.774 -4.885 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.738 -7.421 -5.003 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.167 -4.719 -7.584 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.592 -5.492 -8.320 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.694 -4.820 -6.675 1.00 0.00 H new ATOM 0 HD11 ILE A 101 0.121 -5.841 -4.839 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.142 -6.667 -6.415 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.453 -4.994 -6.295 1.00 0.00 H new ATOM 1574 N ASN A 102 -3.212 -9.810 -7.156 1.00 0.00 N ATOM 1575 CA ASN A 102 -2.765 -11.179 -6.929 1.00 0.00 C ATOM 1576 C ASN A 102 -3.778 -11.949 -6.086 1.00 0.00 C ATOM 1577 O ASN A 102 -3.431 -12.535 -5.061 1.00 0.00 O ATOM 1578 CB ASN A 102 -1.401 -11.184 -6.236 1.00 0.00 C ATOM 1579 CG ASN A 102 -0.353 -10.415 -7.017 1.00 0.00 C ATOM 1580 OD1 ASN A 102 -0.672 -9.700 -7.968 1.00 0.00 O ATOM 1581 ND2 ASN A 102 0.905 -10.557 -6.619 1.00 0.00 N ATOM 0 H ASN A 102 -3.380 -9.579 -8.135 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.675 -11.671 -7.898 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.500 -10.750 -5.241 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.068 -12.213 -6.102 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.653 -10.063 -7.106 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.124 -11.160 -5.826 1.00 0.00 H new ATOM 1588 N PHE A 103 -5.032 -11.942 -6.527 1.00 0.00 N ATOM 1589 CA PHE A 103 -6.096 -12.639 -5.814 1.00 0.00 C ATOM 1590 C PHE A 103 -6.743 -13.698 -6.702 1.00 0.00 C ATOM 1591 O PHE A 103 -7.950 -13.928 -6.634 1.00 0.00 O ATOM 1592 CB PHE A 103 -7.154 -11.644 -5.334 1.00 0.00 C ATOM 1593 CG PHE A 103 -7.533 -10.625 -6.371 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -8.031 -11.022 -7.601 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -7.390 -9.271 -6.115 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -8.380 -10.087 -8.558 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -7.738 -8.332 -7.067 1.00 0.00 C ATOM 1598 CZ PHE A 103 -8.233 -8.740 -8.290 1.00 0.00 C ATOM 0 H PHE A 103 -5.336 -11.462 -7.374 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.655 -13.135 -4.949 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -8.046 -12.192 -5.032 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.781 -11.129 -4.449 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.148 -12.074 -7.815 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.002 -8.946 -5.161 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.767 -10.409 -9.513 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.623 -7.279 -6.855 1.00 0.00 H new ATOM 0 HZ PHE A 103 -8.505 -8.007 -9.035 1.00 0.00 H new ATOM 1608 N GLY A 104 -5.930 -14.340 -7.536 1.00 0.00 N ATOM 1609 CA GLY A 104 -6.440 -15.366 -8.426 1.00 0.00 C ATOM 1610 C GLY A 104 -5.402 -16.423 -8.748 1.00 0.00 C ATOM 1611 O GLY A 104 -5.615 -17.608 -8.493 1.00 0.00 O ATOM 0 H GLY A 104 -4.927 -14.168 -7.611 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.308 -15.841 -7.968 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.781 -14.903 -9.352 1.00 0.00 H new ATOM 1615 N ILE A 105 -4.278 -15.993 -9.311 1.00 0.00 N ATOM 1616 CA ILE A 105 -3.204 -16.912 -9.669 1.00 0.00 C ATOM 1617 C ILE A 105 -2.899 -17.872 -8.525 1.00 0.00 C ATOM 1618 O ILE A 105 -2.546 -19.031 -8.750 1.00 0.00 O ATOM 1619 CB ILE A 105 -1.917 -16.154 -10.045 1.00 0.00 C ATOM 1620 CG1 ILE A 105 -1.284 -15.530 -8.800 1.00 0.00 C ATOM 1621 CG2 ILE A 105 -2.217 -15.085 -11.086 1.00 0.00 C ATOM 1622 CD1 ILE A 105 -2.063 -14.355 -8.251 1.00 0.00 C ATOM 0 H ILE A 105 -4.087 -15.015 -9.529 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.548 -17.479 -10.534 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.208 -16.862 -10.474 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -1.197 -16.292 -8.025 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.272 -15.204 -9.041 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.298 -14.558 -11.342 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.627 -15.553 -11.981 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.941 -14.377 -10.682 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.556 -13.963 -7.369 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.128 -13.575 -9.010 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.067 -14.680 -7.978 1.00 0.00 H new