USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=17 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 30 GLN : amide:sc= -2.1! K(o=-3!,f=1.7) USER MOD Set 1.2: A 94 TYR OH : rot -112:sc= -0.948! USER MOD Set 2.1: A 73 THR OG1 : rot 83:sc= -0.707 USER MOD Set 2.2: A 92 HIS : no HD1:sc= -4.23! C(o=-4.9!,f=-4.9!) USER MOD Set 3.1: A 63 ASN : amide:sc= -5.33 K(o=-7.2,f=-8.7!) USER MOD Set 3.2: A 65 LYS NZ :NH3+ 143:sc= -1.92 (180deg=-0.00349) USER MOD Set 4.1: A 19 GLN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Set 4.2: A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.235 X(o=-0.23,f=-0.13) USER MOD Single : A 27 MET CE :methyl -177:sc= -0.361 (180deg=-0.418) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -115:sc= -0.343 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot -150:sc= -0.963 USER MOD Single : A 46 GLN : amide:sc= 0.184 K(o=0.18,f=-0.8) USER MOD Single : A 47 LYS NZ :NH3+ 155:sc= -0.397 (180deg=-0.947) USER MOD Single : A 54 ASN : amide:sc= -2.39 K(o=-2.4,f=-4.2) USER MOD Single : A 56 THR OG1 : rot 72:sc= 0.917 USER MOD Single : A 58 GLN : amide:sc= -1.99! C(o=-2!,f=-6.3!) USER MOD Single : A 67 GLN : amide:sc= -2.23! X(o=-2.2!,f=-2.3) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00213 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -9.41! C(o=-9.4!,f=-7.1!) USER MOD Single : A 81 TYR OH : rot -112:sc= 0.0427 USER MOD Single : A 82 ASN : amide:sc= -9.48! C(o=-9.5!,f=-16!) 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= -1.44 K(o=-1.4,f=-0.31) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= -7.99! C(o=-8!,f=-6.1!) USER MOD Single : A 102 ASN : amide:sc= -2.84! C(o=-2.8!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 128 N VAL A 13 -2.411 4.951 -17.278 1.00 0.00 N ATOM 129 CA VAL A 13 -2.325 4.540 -15.881 1.00 0.00 C ATOM 130 C VAL A 13 -3.535 5.024 -15.091 1.00 0.00 C ATOM 131 O VAL A 13 -4.181 4.246 -14.390 1.00 0.00 O ATOM 132 CB VAL A 13 -1.043 5.077 -15.217 1.00 0.00 C ATOM 133 CG1 VAL A 13 -1.006 4.698 -13.744 1.00 0.00 C ATOM 134 CG2 VAL A 13 0.190 4.559 -15.941 1.00 0.00 C ATOM 0 HA VAL A 13 -2.301 3.450 -15.872 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.046 6.165 -15.288 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.093 5.086 -13.291 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.872 5.124 -13.237 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.026 3.613 -13.647 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.086 4.949 -15.458 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.203 3.470 -15.904 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.166 4.887 -16.980 1.00 0.00 H new ATOM 144 N GLU A 14 -3.836 6.313 -15.209 1.00 0.00 N ATOM 145 CA GLU A 14 -4.970 6.900 -14.505 1.00 0.00 C ATOM 146 C GLU A 14 -6.214 6.028 -14.654 1.00 0.00 C ATOM 147 O GLU A 14 -6.882 5.708 -13.672 1.00 0.00 O ATOM 148 CB GLU A 14 -5.254 8.307 -15.033 1.00 0.00 C ATOM 149 CG GLU A 14 -4.044 9.226 -15.000 1.00 0.00 C ATOM 150 CD GLU A 14 -3.228 9.161 -16.277 1.00 0.00 C ATOM 151 OE1 GLU A 14 -3.390 8.182 -17.035 1.00 0.00 O ATOM 152 OE2 GLU A 14 -2.428 10.089 -16.517 1.00 0.00 O ATOM 0 H GLU A 14 -3.311 6.971 -15.785 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.715 6.962 -13.447 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.617 8.235 -16.058 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.054 8.753 -14.442 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.375 10.251 -14.837 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.411 8.957 -14.154 1.00 0.00 H new ATOM 159 N GLY A 15 -6.518 5.649 -15.891 1.00 0.00 N ATOM 160 CA GLY A 15 -7.681 4.819 -16.148 1.00 0.00 C ATOM 161 C GLY A 15 -7.873 3.748 -15.092 1.00 0.00 C ATOM 162 O GLY A 15 -8.982 3.548 -14.596 1.00 0.00 O ATOM 0 H GLY A 15 -5.980 5.902 -16.720 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.570 5.448 -16.189 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.578 4.347 -17.125 1.00 0.00 H new ATOM 166 N ALA A 16 -6.791 3.057 -14.747 1.00 0.00 N ATOM 167 CA ALA A 16 -6.846 2.002 -13.744 1.00 0.00 C ATOM 168 C ALA A 16 -7.730 2.407 -12.569 1.00 0.00 C ATOM 169 O ALA A 16 -8.731 1.753 -12.278 1.00 0.00 O ATOM 170 CB ALA A 16 -5.445 1.661 -13.260 1.00 0.00 C ATOM 0 H ALA A 16 -5.866 3.210 -15.148 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.284 1.117 -14.206 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.501 0.871 -12.511 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.842 1.321 -14.102 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.986 2.547 -12.820 1.00 0.00 H new ATOM 176 N ALA A 17 -7.352 3.489 -11.896 1.00 0.00 N ATOM 177 CA ALA A 17 -8.111 3.982 -10.753 1.00 0.00 C ATOM 178 C ALA A 17 -9.605 3.742 -10.942 1.00 0.00 C ATOM 179 O ALA A 17 -10.332 3.499 -9.978 1.00 0.00 O ATOM 180 CB ALA A 17 -7.836 5.462 -10.535 1.00 0.00 C ATOM 0 H ALA A 17 -6.525 4.041 -12.123 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.789 3.430 -9.870 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.409 5.816 -9.678 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.773 5.611 -10.346 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.128 6.021 -11.424 1.00 0.00 H new ATOM 186 N PHE A 18 -10.058 3.812 -12.189 1.00 0.00 N ATOM 187 CA PHE A 18 -11.467 3.604 -12.504 1.00 0.00 C ATOM 188 C PHE A 18 -12.038 2.441 -11.698 1.00 0.00 C ATOM 189 O PHE A 18 -13.016 2.600 -10.969 1.00 0.00 O ATOM 190 CB PHE A 18 -11.643 3.337 -14.000 1.00 0.00 C ATOM 191 CG PHE A 18 -13.020 2.862 -14.367 1.00 0.00 C ATOM 192 CD1 PHE A 18 -14.056 3.766 -14.536 1.00 0.00 C ATOM 193 CD2 PHE A 18 -13.278 1.512 -14.542 1.00 0.00 C ATOM 194 CE1 PHE A 18 -15.325 3.331 -14.872 1.00 0.00 C ATOM 195 CE2 PHE A 18 -14.544 1.072 -14.878 1.00 0.00 C ATOM 196 CZ PHE A 18 -15.568 1.983 -15.045 1.00 0.00 C ATOM 0 H PHE A 18 -9.470 4.011 -12.998 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.011 4.510 -12.237 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -11.424 4.251 -14.552 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -10.914 2.591 -14.316 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -13.871 4.822 -14.404 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -12.480 0.795 -14.414 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -16.125 4.045 -14.999 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -14.732 0.017 -15.010 1.00 0.00 H new ATOM 0 HZ PHE A 18 -16.558 1.642 -15.311 1.00 0.00 H new ATOM 206 N GLN A 19 -11.419 1.272 -11.836 1.00 0.00 N ATOM 207 CA GLN A 19 -11.867 0.082 -11.122 1.00 0.00 C ATOM 208 C GLN A 19 -12.411 0.447 -9.745 1.00 0.00 C ATOM 209 O GLN A 19 -13.360 -0.168 -9.259 1.00 0.00 O ATOM 210 CB GLN A 19 -10.717 -0.916 -10.982 1.00 0.00 C ATOM 211 CG GLN A 19 -9.581 -0.417 -10.103 1.00 0.00 C ATOM 212 CD GLN A 19 -8.703 -1.542 -9.590 1.00 0.00 C ATOM 213 OE1 GLN A 19 -8.020 -2.214 -10.364 1.00 0.00 O ATOM 214 NE2 GLN A 19 -8.716 -1.752 -8.279 1.00 0.00 N ATOM 0 H GLN A 19 -10.607 1.124 -12.435 1.00 0.00 H new ATOM 0 HA GLN A 19 -12.669 -0.378 -11.699 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.104 -1.847 -10.568 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.325 -1.146 -11.972 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.970 0.286 -10.669 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.995 0.131 -9.256 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.297 -1.171 -7.675 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.145 -2.495 -7.876 1.00 0.00 H new ATOM 223 N SER A 20 -11.802 1.449 -9.120 1.00 0.00 N ATOM 224 CA SER A 20 -12.223 1.892 -7.796 1.00 0.00 C ATOM 225 C SER A 20 -12.794 3.306 -7.852 1.00 0.00 C ATOM 226 O SER A 20 -12.332 4.144 -8.626 1.00 0.00 O ATOM 227 CB SER A 20 -11.044 1.845 -6.821 1.00 0.00 C ATOM 228 OG SER A 20 -10.775 0.516 -6.410 1.00 0.00 O ATOM 0 H SER A 20 -11.016 1.969 -9.509 1.00 0.00 H new ATOM 0 HA SER A 20 -13.004 1.217 -7.445 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.159 2.269 -7.295 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.264 2.461 -5.949 1.00 0.00 H new ATOM 0 HG SER A 20 -10.017 0.513 -5.789 1.00 0.00 H new ATOM 234 N ARG A 21 -13.804 3.562 -7.027 1.00 0.00 N ATOM 235 CA ARG A 21 -14.441 4.873 -6.983 1.00 0.00 C ATOM 236 C ARG A 21 -13.589 5.865 -6.196 1.00 0.00 C ATOM 237 O ARG A 21 -14.092 6.581 -5.329 1.00 0.00 O ATOM 238 CB ARG A 21 -15.831 4.767 -6.354 1.00 0.00 C ATOM 239 CG ARG A 21 -16.869 4.142 -7.272 1.00 0.00 C ATOM 240 CD ARG A 21 -17.411 5.154 -8.270 1.00 0.00 C ATOM 241 NE ARG A 21 -18.766 4.823 -8.703 1.00 0.00 N ATOM 242 CZ ARG A 21 -19.849 5.054 -7.970 1.00 0.00 C ATOM 243 NH1 ARG A 21 -19.737 5.613 -6.773 1.00 0.00 N ATOM 244 NH2 ARG A 21 -21.048 4.724 -8.433 1.00 0.00 N ATOM 0 H ARG A 21 -14.199 2.879 -6.380 1.00 0.00 H new ATOM 0 HA ARG A 21 -14.539 5.236 -8.006 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.763 4.176 -5.441 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -16.167 5.763 -6.065 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -16.425 3.303 -7.808 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -17.689 3.741 -6.676 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -17.407 6.146 -7.819 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.753 5.196 -9.138 1.00 0.00 H new ATOM 0 HE ARG A 21 -18.887 4.391 -9.619 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -18.817 5.867 -6.413 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -20.571 5.789 -6.212 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -21.138 4.292 -9.353 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -21.879 4.902 -7.869 1.00 0.00 H new ATOM 258 N LEU A 22 -12.297 5.902 -6.503 1.00 0.00 N ATOM 259 CA LEU A 22 -11.375 6.806 -5.825 1.00 0.00 C ATOM 260 C LEU A 22 -10.565 7.614 -6.833 1.00 0.00 C ATOM 261 O LEU A 22 -10.189 7.126 -7.899 1.00 0.00 O ATOM 262 CB LEU A 22 -10.434 6.016 -4.913 1.00 0.00 C ATOM 263 CG LEU A 22 -9.344 5.205 -5.615 1.00 0.00 C ATOM 264 CD1 LEU A 22 -8.089 6.044 -5.799 1.00 0.00 C ATOM 265 CD2 LEU A 22 -9.031 3.940 -4.829 1.00 0.00 C ATOM 0 H LEU A 22 -11.864 5.316 -7.217 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.961 7.498 -5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.955 6.714 -4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -11.033 5.335 -4.308 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.711 4.916 -6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.325 5.450 -6.300 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.322 6.920 -6.404 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.719 6.364 -4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.253 3.375 -5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.685 4.208 -3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.930 3.329 -4.749 1.00 0.00 H new ATOM 277 N PRO A 23 -10.287 8.881 -6.490 1.00 0.00 N ATOM 278 CA PRO A 23 -9.515 9.783 -7.350 1.00 0.00 C ATOM 279 C PRO A 23 -8.047 9.382 -7.443 1.00 0.00 C ATOM 280 O PRO A 23 -7.491 8.806 -6.507 1.00 0.00 O ATOM 281 CB PRO A 23 -9.656 11.140 -6.657 1.00 0.00 C ATOM 282 CG PRO A 23 -9.917 10.811 -5.228 1.00 0.00 C ATOM 283 CD PRO A 23 -10.703 9.529 -5.235 1.00 0.00 C ATOM 0 HA PRO A 23 -9.877 9.774 -8.378 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.750 11.736 -6.767 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.473 11.720 -7.085 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -8.983 10.693 -4.678 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.476 11.609 -4.740 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.471 8.911 -4.368 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.777 9.716 -5.216 1.00 0.00 H new ATOM 291 N HIS A 24 -7.424 9.691 -8.575 1.00 0.00 N ATOM 292 CA HIS A 24 -6.019 9.363 -8.789 1.00 0.00 C ATOM 293 C HIS A 24 -5.129 10.564 -8.483 1.00 0.00 C ATOM 294 O HIS A 24 -3.927 10.417 -8.258 1.00 0.00 O ATOM 295 CB HIS A 24 -5.794 8.901 -10.229 1.00 0.00 C ATOM 296 CG HIS A 24 -5.446 10.014 -11.168 1.00 0.00 C ATOM 297 ND1 HIS A 24 -4.149 10.323 -11.521 1.00 0.00 N ATOM 298 CD2 HIS A 24 -6.233 10.894 -11.830 1.00 0.00 C ATOM 299 CE1 HIS A 24 -4.154 11.345 -12.358 1.00 0.00 C ATOM 300 NE2 HIS A 24 -5.407 11.710 -12.562 1.00 0.00 N ATOM 0 H HIS A 24 -7.870 10.168 -9.359 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.753 8.553 -8.110 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -4.994 8.161 -10.243 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.695 8.403 -10.587 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -7.311 10.945 -11.790 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -3.282 11.804 -12.800 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -5.711 12.474 -13.165 1.00 0.00 H new ATOM 309 N ASP A 25 -5.726 11.751 -8.477 1.00 0.00 N ATOM 310 CA ASP A 25 -4.987 12.977 -8.199 1.00 0.00 C ATOM 311 C ASP A 25 -4.801 13.170 -6.697 1.00 0.00 C ATOM 312 O ASP A 25 -3.807 13.744 -6.254 1.00 0.00 O ATOM 313 CB ASP A 25 -5.715 14.183 -8.795 1.00 0.00 C ATOM 314 CG ASP A 25 -4.877 15.445 -8.750 1.00 0.00 C ATOM 315 OD1 ASP A 25 -4.407 15.808 -7.651 1.00 0.00 O ATOM 316 OD2 ASP A 25 -4.689 16.070 -9.815 1.00 0.00 O ATOM 0 H ASP A 25 -6.719 11.890 -8.661 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.003 12.892 -8.661 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.985 13.966 -9.829 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.645 14.348 -8.250 1.00 0.00 H new ATOM 321 N ARG A 26 -5.766 12.688 -5.920 1.00 0.00 N ATOM 322 CA ARG A 26 -5.709 12.810 -4.468 1.00 0.00 C ATOM 323 C ARG A 26 -5.880 11.448 -3.801 1.00 0.00 C ATOM 324 O ARG A 26 -6.234 10.467 -4.454 1.00 0.00 O ATOM 325 CB ARG A 26 -6.792 13.771 -3.973 1.00 0.00 C ATOM 326 CG ARG A 26 -8.207 13.274 -4.219 1.00 0.00 C ATOM 327 CD ARG A 26 -9.211 14.416 -4.192 1.00 0.00 C ATOM 328 NE ARG A 26 -9.195 15.188 -5.431 1.00 0.00 N ATOM 329 CZ ARG A 26 -10.226 15.907 -5.862 1.00 0.00 C ATOM 330 NH1 ARG A 26 -11.348 15.951 -5.158 1.00 0.00 N ATOM 331 NH2 ARG A 26 -10.135 16.584 -7.000 1.00 0.00 N ATOM 0 H ARG A 26 -6.596 12.210 -6.271 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.730 13.207 -4.200 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.656 13.939 -2.905 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.664 14.735 -4.466 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.254 12.769 -5.184 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.472 12.537 -3.461 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.211 14.015 -4.027 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.989 15.074 -3.352 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.346 15.175 -5.997 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.422 15.432 -4.283 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.138 16.504 -5.491 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.273 16.553 -7.545 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.927 17.136 -7.330 1.00 0.00 H new ATOM 345 N MET A 27 -5.626 11.398 -2.498 1.00 0.00 N ATOM 346 CA MET A 27 -5.752 10.156 -1.743 1.00 0.00 C ATOM 347 C MET A 27 -7.078 10.111 -0.989 1.00 0.00 C ATOM 348 O MET A 27 -7.752 11.130 -0.836 1.00 0.00 O ATOM 349 CB MET A 27 -4.588 10.011 -0.761 1.00 0.00 C ATOM 350 CG MET A 27 -3.222 10.154 -1.412 1.00 0.00 C ATOM 351 SD MET A 27 -1.924 10.547 -0.223 1.00 0.00 S ATOM 352 CE MET A 27 -2.010 9.120 0.855 1.00 0.00 C ATOM 0 H MET A 27 -5.332 12.202 -1.943 1.00 0.00 H new ATOM 0 HA MET A 27 -5.727 9.326 -2.449 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.688 10.762 0.022 1.00 0.00 H new ATOM 0 HB3 MET A 27 -4.651 9.036 -0.277 1.00 0.00 H new ATOM 0 HG2 MET A 27 -2.970 9.226 -1.926 1.00 0.00 H new ATOM 0 HG3 MET A 27 -3.265 10.937 -2.169 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.302 9.240 1.675 1.00 0.00 H new ATOM 0 HE2 MET A 27 -3.019 9.028 1.257 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.761 8.222 0.290 1.00 0.00 H new ATOM 362 N THR A 28 -7.446 8.923 -0.519 1.00 0.00 N ATOM 363 CA THR A 28 -8.691 8.745 0.217 1.00 0.00 C ATOM 364 C THR A 28 -8.422 8.417 1.681 1.00 0.00 C ATOM 365 O THR A 28 -7.274 8.231 2.085 1.00 0.00 O ATOM 366 CB THR A 28 -9.553 7.626 -0.398 1.00 0.00 C ATOM 367 OG1 THR A 28 -8.774 6.433 -0.545 1.00 0.00 O ATOM 368 CG2 THR A 28 -10.102 8.049 -1.752 1.00 0.00 C ATOM 0 H THR A 28 -6.899 8.070 -0.635 1.00 0.00 H new ATOM 0 HA THR A 28 -9.234 9.688 0.152 1.00 0.00 H new ATOM 0 HB THR A 28 -10.391 7.432 0.272 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.329 5.726 -0.935 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.707 7.243 -2.167 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.717 8.941 -1.633 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.275 8.267 -2.428 1.00 0.00 H new ATOM 376 N SER A 29 -9.488 8.346 2.473 1.00 0.00 N ATOM 377 CA SER A 29 -9.365 8.043 3.894 1.00 0.00 C ATOM 378 C SER A 29 -8.462 6.833 4.115 1.00 0.00 C ATOM 379 O SER A 29 -7.668 6.803 5.055 1.00 0.00 O ATOM 380 CB SER A 29 -10.745 7.781 4.501 1.00 0.00 C ATOM 381 OG SER A 29 -10.696 7.828 5.917 1.00 0.00 O ATOM 0 H SER A 29 -10.446 8.494 2.155 1.00 0.00 H new ATOM 0 HA SER A 29 -8.916 8.905 4.387 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.454 8.523 4.134 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.108 6.805 4.179 1.00 0.00 H new ATOM 0 HG SER A 29 -11.590 7.659 6.281 1.00 0.00 H new ATOM 387 N GLN A 30 -8.591 5.839 3.243 1.00 0.00 N ATOM 388 CA GLN A 30 -7.787 4.626 3.343 1.00 0.00 C ATOM 389 C GLN A 30 -6.310 4.931 3.112 1.00 0.00 C ATOM 390 O GLN A 30 -5.501 4.863 4.037 1.00 0.00 O ATOM 391 CB GLN A 30 -8.269 3.584 2.332 1.00 0.00 C ATOM 392 CG GLN A 30 -9.355 2.669 2.873 1.00 0.00 C ATOM 393 CD GLN A 30 -9.717 1.559 1.907 1.00 0.00 C ATOM 394 OE1 GLN A 30 -10.889 1.351 1.592 1.00 0.00 O ATOM 395 NE2 GLN A 30 -8.709 0.837 1.429 1.00 0.00 N ATOM 0 H GLN A 30 -9.244 5.849 2.460 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.903 4.225 4.350 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.645 4.096 1.446 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.420 2.978 2.014 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.021 2.232 3.814 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.245 3.258 3.093 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.752 1.043 1.717 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.892 0.076 0.774 1.00 0.00 H new ATOM 404 N GLU A 31 -5.967 5.267 1.873 1.00 0.00 N ATOM 405 CA GLU A 31 -4.587 5.581 1.521 1.00 0.00 C ATOM 406 C GLU A 31 -3.974 6.546 2.532 1.00 0.00 C ATOM 407 O GLU A 31 -2.820 6.393 2.931 1.00 0.00 O ATOM 408 CB GLU A 31 -4.520 6.186 0.117 1.00 0.00 C ATOM 409 CG GLU A 31 -4.775 5.179 -0.992 1.00 0.00 C ATOM 410 CD GLU A 31 -5.884 4.203 -0.651 1.00 0.00 C ATOM 411 OE1 GLU A 31 -5.686 3.379 0.267 1.00 0.00 O ATOM 412 OE2 GLU A 31 -6.948 4.262 -1.301 1.00 0.00 O ATOM 0 H GLU A 31 -6.625 5.329 1.096 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.015 4.653 1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.252 6.990 0.042 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.537 6.635 -0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.033 5.711 -1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.858 4.625 -1.193 1.00 0.00 H new ATOM 419 N ALA A 32 -4.756 7.540 2.942 1.00 0.00 N ATOM 420 CA ALA A 32 -4.292 8.529 3.907 1.00 0.00 C ATOM 421 C ALA A 32 -3.978 7.880 5.250 1.00 0.00 C ATOM 422 O ALA A 32 -2.989 8.220 5.899 1.00 0.00 O ATOM 423 CB ALA A 32 -5.331 9.626 4.079 1.00 0.00 C ATOM 0 H ALA A 32 -5.714 7.681 2.621 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.373 8.971 3.523 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.971 10.358 4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.504 10.117 3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.264 9.191 4.437 1.00 0.00 H new ATOM 429 N ALA A 33 -4.826 6.943 5.663 1.00 0.00 N ATOM 430 CA ALA A 33 -4.638 6.246 6.929 1.00 0.00 C ATOM 431 C ALA A 33 -3.445 5.299 6.861 1.00 0.00 C ATOM 432 O ALA A 33 -2.665 5.199 7.809 1.00 0.00 O ATOM 433 CB ALA A 33 -5.900 5.483 7.303 1.00 0.00 C ATOM 0 H ALA A 33 -5.650 6.649 5.139 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.435 6.990 7.699 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.746 4.967 8.251 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.732 6.181 7.401 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.128 4.754 6.526 1.00 0.00 H new ATOM 439 N CYS A 34 -3.309 4.605 5.737 1.00 0.00 N ATOM 440 CA CYS A 34 -2.210 3.664 5.547 1.00 0.00 C ATOM 441 C CYS A 34 -0.886 4.401 5.381 1.00 0.00 C ATOM 442 O CYS A 34 0.144 3.974 5.904 1.00 0.00 O ATOM 443 CB CYS A 34 -2.473 2.781 4.326 1.00 0.00 C ATOM 444 SG CYS A 34 -1.460 1.285 4.265 1.00 0.00 S ATOM 0 H CYS A 34 -3.946 4.676 4.943 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.145 3.035 6.435 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.525 2.495 4.317 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.294 3.365 3.423 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.665 1.341 3.238 1.00 0.00 H new ATOM 450 N PHE A 35 -0.919 5.510 4.649 1.00 0.00 N ATOM 451 CA PHE A 35 0.280 6.305 4.412 1.00 0.00 C ATOM 452 C PHE A 35 0.084 7.740 4.892 1.00 0.00 C ATOM 453 O PHE A 35 -0.372 8.612 4.152 1.00 0.00 O ATOM 454 CB PHE A 35 0.637 6.297 2.924 1.00 0.00 C ATOM 455 CG PHE A 35 0.723 4.918 2.336 1.00 0.00 C ATOM 456 CD1 PHE A 35 -0.427 4.212 2.023 1.00 0.00 C ATOM 457 CD2 PHE A 35 1.953 4.328 2.095 1.00 0.00 C ATOM 458 CE1 PHE A 35 -0.352 2.942 1.482 1.00 0.00 C ATOM 459 CE2 PHE A 35 2.035 3.059 1.554 1.00 0.00 C ATOM 460 CZ PHE A 35 0.881 2.365 1.246 1.00 0.00 C ATOM 0 H PHE A 35 -1.763 5.878 4.210 1.00 0.00 H new ATOM 0 HA PHE A 35 1.099 5.860 4.977 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.110 6.871 2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.592 6.803 2.785 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.393 4.659 2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.859 4.866 2.333 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.256 2.401 1.244 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.000 2.610 1.372 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.942 1.374 0.822 1.00 0.00 H new ATOM 470 N PRO A 36 0.436 7.993 6.161 1.00 0.00 N ATOM 471 CA PRO A 36 0.309 9.320 6.769 1.00 0.00 C ATOM 472 C PRO A 36 1.304 10.321 6.192 1.00 0.00 C ATOM 473 O PRO A 36 0.948 11.459 5.887 1.00 0.00 O ATOM 474 CB PRO A 36 0.607 9.063 8.249 1.00 0.00 C ATOM 475 CG PRO A 36 1.457 7.840 8.257 1.00 0.00 C ATOM 476 CD PRO A 36 0.987 7.001 7.101 1.00 0.00 C ATOM 0 HA PRO A 36 -0.672 9.758 6.587 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.126 9.908 8.701 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.311 8.911 8.817 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.511 8.097 8.150 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.355 7.300 9.198 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.806 6.436 6.655 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.232 6.278 7.410 1.00 0.00 H new ATOM 484 N ASP A 37 2.551 9.889 6.043 1.00 0.00 N ATOM 485 CA ASP A 37 3.598 10.746 5.499 1.00 0.00 C ATOM 486 C ASP A 37 3.221 11.251 4.110 1.00 0.00 C ATOM 487 O ASP A 37 3.438 12.418 3.783 1.00 0.00 O ATOM 488 CB ASP A 37 4.926 9.990 5.438 1.00 0.00 C ATOM 489 CG ASP A 37 5.505 9.724 6.814 1.00 0.00 C ATOM 490 OD1 ASP A 37 5.566 10.671 7.625 1.00 0.00 O ATOM 491 OD2 ASP A 37 5.898 8.568 7.079 1.00 0.00 O ATOM 0 H ASP A 37 2.862 8.950 6.291 1.00 0.00 H new ATOM 0 HA ASP A 37 3.709 11.606 6.160 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.778 9.042 4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.642 10.566 4.851 1.00 0.00 H new ATOM 496 N ILE A 38 2.656 10.364 3.297 1.00 0.00 N ATOM 497 CA ILE A 38 2.249 10.719 1.944 1.00 0.00 C ATOM 498 C ILE A 38 1.153 11.779 1.960 1.00 0.00 C ATOM 499 O ILE A 38 1.290 12.838 1.346 1.00 0.00 O ATOM 500 CB ILE A 38 1.747 9.489 1.165 1.00 0.00 C ATOM 501 CG1 ILE A 38 2.844 8.425 1.087 1.00 0.00 C ATOM 502 CG2 ILE A 38 1.293 9.893 -0.229 1.00 0.00 C ATOM 503 CD1 ILE A 38 4.165 8.956 0.574 1.00 0.00 C ATOM 0 H ILE A 38 2.470 9.394 3.553 1.00 0.00 H new ATOM 0 HA ILE A 38 3.131 11.119 1.444 1.00 0.00 H new ATOM 0 HB ILE A 38 0.893 9.066 1.695 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.994 7.996 2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.509 7.617 0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.941 9.012 -0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.483 10.619 -0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.129 10.338 -0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.896 8.148 0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.030 9.359 -0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.522 9.744 1.237 1.00 0.00 H new ATOM 515 N ILE A 39 0.066 11.487 2.666 1.00 0.00 N ATOM 516 CA ILE A 39 -1.053 12.416 2.765 1.00 0.00 C ATOM 517 C ILE A 39 -0.616 13.739 3.386 1.00 0.00 C ATOM 518 O ILE A 39 -1.056 14.809 2.966 1.00 0.00 O ATOM 519 CB ILE A 39 -2.204 11.825 3.600 1.00 0.00 C ATOM 520 CG1 ILE A 39 -3.390 12.790 3.628 1.00 0.00 C ATOM 521 CG2 ILE A 39 -1.730 11.517 5.012 1.00 0.00 C ATOM 522 CD1 ILE A 39 -4.191 12.802 2.345 1.00 0.00 C ATOM 0 H ILE A 39 -0.064 10.614 3.178 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.406 12.593 1.749 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.529 10.894 3.136 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.048 12.521 4.455 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.024 13.797 3.827 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.555 11.100 5.590 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.914 10.796 4.973 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.381 12.434 5.487 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.016 13.509 2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.548 13.101 1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.588 11.805 2.154 1.00 0.00 H new ATOM 534 N SER A 40 0.253 13.657 4.389 1.00 0.00 N ATOM 535 CA SER A 40 0.748 14.847 5.070 1.00 0.00 C ATOM 536 C SER A 40 2.009 15.375 4.393 1.00 0.00 C ATOM 537 O SER A 40 2.930 15.851 5.055 1.00 0.00 O ATOM 538 CB SER A 40 1.037 14.536 6.540 1.00 0.00 C ATOM 539 OG SER A 40 -0.141 14.134 7.217 1.00 0.00 O ATOM 0 H SER A 40 0.628 12.779 4.748 1.00 0.00 H new ATOM 0 HA SER A 40 -0.023 15.615 5.013 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.786 13.747 6.608 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.457 15.417 7.026 1.00 0.00 H new ATOM 0 HG SER A 40 0.070 13.939 8.154 1.00 0.00 H new ATOM 545 N GLY A 41 2.043 15.287 3.067 1.00 0.00 N ATOM 546 CA GLY A 41 3.195 15.760 2.320 1.00 0.00 C ATOM 547 C GLY A 41 2.809 16.682 1.181 1.00 0.00 C ATOM 548 O GLY A 41 1.638 17.013 0.991 1.00 0.00 O ATOM 0 H GLY A 41 1.293 14.897 2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.871 16.285 2.995 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.742 14.905 1.922 1.00 0.00 H new ATOM 552 N PRO A 42 3.810 17.115 0.400 1.00 0.00 N ATOM 553 CA PRO A 42 3.594 18.012 -0.739 1.00 0.00 C ATOM 554 C PRO A 42 2.864 17.325 -1.888 1.00 0.00 C ATOM 555 O PRO A 42 3.016 16.122 -2.100 1.00 0.00 O ATOM 556 CB PRO A 42 5.014 18.396 -1.162 1.00 0.00 C ATOM 557 CG PRO A 42 5.867 17.267 -0.696 1.00 0.00 C ATOM 558 CD PRO A 42 5.229 16.761 0.569 1.00 0.00 C ATOM 0 HA PRO A 42 2.968 18.864 -0.474 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.084 18.525 -2.242 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.321 19.338 -0.708 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.919 16.480 -1.449 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.889 17.600 -0.512 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.364 15.686 0.685 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.659 17.233 1.453 1.00 0.00 H new ATOM 566 N GLN A 43 2.071 18.096 -2.625 1.00 0.00 N ATOM 567 CA GLN A 43 1.317 17.560 -3.752 1.00 0.00 C ATOM 568 C GLN A 43 2.133 16.514 -4.504 1.00 0.00 C ATOM 569 O GLN A 43 1.639 15.427 -4.802 1.00 0.00 O ATOM 570 CB GLN A 43 0.911 18.687 -4.703 1.00 0.00 C ATOM 571 CG GLN A 43 0.104 18.212 -5.900 1.00 0.00 C ATOM 572 CD GLN A 43 -0.007 19.265 -6.985 1.00 0.00 C ATOM 573 OE1 GLN A 43 0.969 19.575 -7.668 1.00 0.00 O ATOM 574 NE2 GLN A 43 -1.201 19.822 -7.149 1.00 0.00 N ATOM 0 H GLN A 43 1.934 19.094 -2.462 1.00 0.00 H new ATOM 0 HA GLN A 43 0.419 17.082 -3.362 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.327 19.424 -4.151 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.809 19.192 -5.058 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.568 17.317 -6.314 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.896 17.929 -5.570 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.983 19.535 -6.560 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -1.336 20.537 -7.864 1.00 0.00 H new ATOM 583 N GLN A 44 3.382 16.850 -4.806 1.00 0.00 N ATOM 584 CA GLN A 44 4.265 15.939 -5.525 1.00 0.00 C ATOM 585 C GLN A 44 4.294 14.568 -4.856 1.00 0.00 C ATOM 586 O GLN A 44 3.969 13.555 -5.476 1.00 0.00 O ATOM 587 CB GLN A 44 5.681 16.515 -5.595 1.00 0.00 C ATOM 588 CG GLN A 44 6.619 15.718 -6.486 1.00 0.00 C ATOM 589 CD GLN A 44 8.069 16.128 -6.321 1.00 0.00 C ATOM 590 OE1 GLN A 44 8.538 17.066 -6.965 1.00 0.00 O ATOM 591 NE2 GLN A 44 8.788 15.424 -5.454 1.00 0.00 N ATOM 0 H GLN A 44 3.806 17.746 -4.564 1.00 0.00 H new ATOM 0 HA GLN A 44 3.878 15.822 -6.537 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.629 17.540 -5.961 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.097 16.557 -4.589 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.517 14.657 -6.258 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.324 15.850 -7.527 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.358 14.654 -4.941 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.770 15.653 -5.301 1.00 0.00 H new ATOM 600 N THR A 45 4.687 14.543 -3.586 1.00 0.00 N ATOM 601 CA THR A 45 4.760 13.298 -2.833 1.00 0.00 C ATOM 602 C THR A 45 3.495 12.468 -3.018 1.00 0.00 C ATOM 603 O THR A 45 3.559 11.305 -3.416 1.00 0.00 O ATOM 604 CB THR A 45 4.972 13.561 -1.330 1.00 0.00 C ATOM 605 OG1 THR A 45 6.205 14.259 -1.123 1.00 0.00 O ATOM 606 CG2 THR A 45 4.984 12.257 -0.548 1.00 0.00 C ATOM 0 H THR A 45 4.960 15.372 -3.058 1.00 0.00 H new ATOM 0 HA THR A 45 5.615 12.744 -3.222 1.00 0.00 H new ATOM 0 HB THR A 45 4.144 14.173 -0.971 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.573 14.020 -0.247 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.135 12.469 0.510 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.032 11.743 -0.683 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.793 11.623 -0.910 1.00 0.00 H new ATOM 614 N GLN A 46 2.348 13.073 -2.729 1.00 0.00 N ATOM 615 CA GLN A 46 1.068 12.388 -2.865 1.00 0.00 C ATOM 616 C GLN A 46 0.942 11.737 -4.238 1.00 0.00 C ATOM 617 O GLN A 46 0.592 10.562 -4.350 1.00 0.00 O ATOM 618 CB GLN A 46 -0.085 13.369 -2.645 1.00 0.00 C ATOM 619 CG GLN A 46 -0.162 13.909 -1.226 1.00 0.00 C ATOM 620 CD GLN A 46 -1.283 14.913 -1.043 1.00 0.00 C ATOM 621 OE1 GLN A 46 -1.696 15.579 -1.993 1.00 0.00 O ATOM 622 NE2 GLN A 46 -1.781 15.029 0.182 1.00 0.00 N ATOM 0 H GLN A 46 2.279 14.036 -2.399 1.00 0.00 H new ATOM 0 HA GLN A 46 1.021 11.606 -2.107 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.022 14.204 -3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.025 12.873 -2.887 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.306 13.080 -0.533 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.787 14.379 -0.968 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.409 14.457 0.940 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.536 15.690 0.365 1.00 0.00 H new ATOM 631 N LYS A 47 1.229 12.508 -5.282 1.00 0.00 N ATOM 632 CA LYS A 47 1.149 12.007 -6.648 1.00 0.00 C ATOM 633 C LYS A 47 2.084 10.819 -6.848 1.00 0.00 C ATOM 634 O LYS A 47 1.692 9.794 -7.406 1.00 0.00 O ATOM 635 CB LYS A 47 1.499 13.117 -7.642 1.00 0.00 C ATOM 636 CG LYS A 47 0.478 14.241 -7.683 1.00 0.00 C ATOM 637 CD LYS A 47 0.719 15.171 -8.860 1.00 0.00 C ATOM 638 CE LYS A 47 1.902 16.094 -8.608 1.00 0.00 C ATOM 639 NZ LYS A 47 3.182 15.496 -9.077 1.00 0.00 N ATOM 0 H LYS A 47 1.519 13.483 -5.207 1.00 0.00 H new ATOM 0 HA LYS A 47 0.126 11.676 -6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.473 13.532 -7.383 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.592 12.685 -8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.525 13.820 -7.750 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.524 14.809 -6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.901 14.582 -9.759 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.175 15.766 -9.044 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.737 17.043 -9.117 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.972 16.312 -7.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.863 16.254 -9.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.570 14.879 -8.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.009 14.937 -9.937 1.00 0.00 H new ATOM 653 N VAL A 48 3.323 10.962 -6.387 1.00 0.00 N ATOM 654 CA VAL A 48 4.313 9.899 -6.513 1.00 0.00 C ATOM 655 C VAL A 48 3.764 8.573 -6.000 1.00 0.00 C ATOM 656 O VAL A 48 4.004 7.519 -6.590 1.00 0.00 O ATOM 657 CB VAL A 48 5.603 10.240 -5.743 1.00 0.00 C ATOM 658 CG1 VAL A 48 6.611 9.107 -5.861 1.00 0.00 C ATOM 659 CG2 VAL A 48 6.196 11.547 -6.250 1.00 0.00 C ATOM 0 H VAL A 48 3.665 11.804 -5.923 1.00 0.00 H new ATOM 0 HA VAL A 48 4.545 9.807 -7.574 1.00 0.00 H new ATOM 0 HB VAL A 48 5.354 10.365 -4.689 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.516 9.366 -5.311 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.183 8.194 -5.446 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.858 8.948 -6.911 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.107 11.773 -5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.431 11.453 -7.310 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.476 12.353 -6.108 1.00 0.00 H new ATOM 669 N PHE A 49 3.025 8.632 -4.897 1.00 0.00 N ATOM 670 CA PHE A 49 2.441 7.435 -4.303 1.00 0.00 C ATOM 671 C PHE A 49 1.182 7.013 -5.055 1.00 0.00 C ATOM 672 O PHE A 49 0.999 5.837 -5.373 1.00 0.00 O ATOM 673 CB PHE A 49 2.110 7.680 -2.830 1.00 0.00 C ATOM 674 CG PHE A 49 0.995 6.816 -2.314 1.00 0.00 C ATOM 675 CD1 PHE A 49 -0.328 7.165 -2.534 1.00 0.00 C ATOM 676 CD2 PHE A 49 1.270 5.656 -1.608 1.00 0.00 C ATOM 677 CE1 PHE A 49 -1.356 6.372 -2.061 1.00 0.00 C ATOM 678 CE2 PHE A 49 0.245 4.859 -1.133 1.00 0.00 C ATOM 679 CZ PHE A 49 -1.069 5.218 -1.358 1.00 0.00 C ATOM 0 H PHE A 49 2.816 9.496 -4.396 1.00 0.00 H new ATOM 0 HA PHE A 49 3.173 6.631 -4.375 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.003 7.503 -2.231 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.839 8.727 -2.696 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.558 8.067 -3.081 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.296 5.371 -1.427 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.383 6.654 -2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.472 3.956 -0.586 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.871 4.598 -0.985 1.00 0.00 H new ATOM 689 N LEU A 50 0.316 7.981 -5.337 1.00 0.00 N ATOM 690 CA LEU A 50 -0.927 7.712 -6.051 1.00 0.00 C ATOM 691 C LEU A 50 -0.646 7.118 -7.428 1.00 0.00 C ATOM 692 O LEU A 50 -1.537 6.559 -8.068 1.00 0.00 O ATOM 693 CB LEU A 50 -1.744 8.997 -6.194 1.00 0.00 C ATOM 694 CG LEU A 50 -2.485 9.464 -4.941 1.00 0.00 C ATOM 695 CD1 LEU A 50 -2.964 10.898 -5.107 1.00 0.00 C ATOM 696 CD2 LEU A 50 -3.657 8.540 -4.639 1.00 0.00 C ATOM 0 H LEU A 50 0.452 8.959 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.500 6.987 -5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.075 9.795 -6.515 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.474 8.853 -6.991 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.794 9.429 -4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.489 11.213 -4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.107 11.551 -5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.639 10.960 -5.960 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.173 8.887 -3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.349 8.543 -5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.289 7.527 -4.475 1.00 0.00 H new ATOM 708 N PHE A 51 0.599 7.242 -7.877 1.00 0.00 N ATOM 709 CA PHE A 51 0.998 6.716 -9.178 1.00 0.00 C ATOM 710 C PHE A 51 1.594 5.318 -9.040 1.00 0.00 C ATOM 711 O PHE A 51 1.389 4.458 -9.897 1.00 0.00 O ATOM 712 CB PHE A 51 2.011 7.652 -9.840 1.00 0.00 C ATOM 713 CG PHE A 51 2.599 7.098 -11.107 1.00 0.00 C ATOM 714 CD1 PHE A 51 3.470 6.021 -11.069 1.00 0.00 C ATOM 715 CD2 PHE A 51 2.282 7.656 -12.335 1.00 0.00 C ATOM 716 CE1 PHE A 51 4.013 5.509 -12.232 1.00 0.00 C ATOM 717 CE2 PHE A 51 2.821 7.148 -13.502 1.00 0.00 C ATOM 718 CZ PHE A 51 3.688 6.074 -13.450 1.00 0.00 C ATOM 0 H PHE A 51 1.348 7.702 -7.360 1.00 0.00 H new ATOM 0 HA PHE A 51 0.109 6.652 -9.805 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.526 8.603 -10.059 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.816 7.860 -9.135 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.728 5.576 -10.119 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.606 8.497 -12.381 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.690 4.669 -12.189 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.565 7.590 -14.453 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.111 5.676 -14.361 1.00 0.00 H new ATOM 728 N ILE A 52 2.331 5.100 -7.957 1.00 0.00 N ATOM 729 CA ILE A 52 2.957 3.808 -7.706 1.00 0.00 C ATOM 730 C ILE A 52 1.908 2.715 -7.529 1.00 0.00 C ATOM 731 O ILE A 52 2.074 1.596 -8.015 1.00 0.00 O ATOM 732 CB ILE A 52 3.855 3.850 -6.456 1.00 0.00 C ATOM 733 CG1 ILE A 52 5.087 4.718 -6.716 1.00 0.00 C ATOM 734 CG2 ILE A 52 4.268 2.442 -6.053 1.00 0.00 C ATOM 735 CD1 ILE A 52 5.674 5.326 -5.461 1.00 0.00 C ATOM 0 H ILE A 52 2.510 5.802 -7.239 1.00 0.00 H new ATOM 0 HA ILE A 52 3.572 3.581 -8.577 1.00 0.00 H new ATOM 0 HB ILE A 52 3.290 4.291 -5.635 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.849 4.114 -7.208 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.819 5.518 -7.406 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.902 2.488 -5.168 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.379 1.851 -5.832 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.819 1.976 -6.870 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.544 5.928 -5.721 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.927 5.957 -4.979 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.974 4.531 -4.778 1.00 0.00 H new ATOM 747 N ARG A 53 0.828 3.048 -6.830 1.00 0.00 N ATOM 748 CA ARG A 53 -0.249 2.095 -6.588 1.00 0.00 C ATOM 749 C ARG A 53 -1.041 1.834 -7.866 1.00 0.00 C ATOM 750 O ARG A 53 -1.567 0.741 -8.070 1.00 0.00 O ATOM 751 CB ARG A 53 -1.183 2.615 -5.493 1.00 0.00 C ATOM 752 CG ARG A 53 -2.020 3.808 -5.923 1.00 0.00 C ATOM 753 CD ARG A 53 -3.370 3.823 -5.223 1.00 0.00 C ATOM 754 NE ARG A 53 -4.045 5.111 -5.361 1.00 0.00 N ATOM 755 CZ ARG A 53 -4.794 5.439 -6.407 1.00 0.00 C ATOM 756 NH1 ARG A 53 -4.965 4.578 -7.401 1.00 0.00 N ATOM 757 NH2 ARG A 53 -5.376 6.630 -6.461 1.00 0.00 N ATOM 0 H ARG A 53 0.675 3.970 -6.421 1.00 0.00 H new ATOM 0 HA ARG A 53 0.197 1.156 -6.259 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.847 1.809 -5.181 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.589 2.893 -4.622 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.483 4.730 -5.700 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.169 3.779 -7.002 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.001 3.037 -5.637 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.232 3.598 -4.165 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.935 5.796 -4.613 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.521 3.661 -7.363 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.541 4.833 -8.203 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.248 7.295 -5.698 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.951 6.881 -7.265 1.00 0.00 H new ATOM 771 N ASN A 54 -1.123 2.847 -8.722 1.00 0.00 N ATOM 772 CA ASN A 54 -1.852 2.728 -9.980 1.00 0.00 C ATOM 773 C ASN A 54 -1.129 1.790 -10.941 1.00 0.00 C ATOM 774 O ASN A 54 -1.743 0.909 -11.543 1.00 0.00 O ATOM 775 CB ASN A 54 -2.024 4.105 -10.626 1.00 0.00 C ATOM 776 CG ASN A 54 -3.298 4.797 -10.182 1.00 0.00 C ATOM 777 OD1 ASN A 54 -4.346 4.165 -10.045 1.00 0.00 O ATOM 778 ND2 ASN A 54 -3.214 6.102 -9.954 1.00 0.00 N ATOM 0 H ASN A 54 -0.694 3.759 -8.568 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.835 2.310 -9.763 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.168 4.731 -10.375 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.032 3.996 -11.711 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.039 6.621 -9.653 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.325 6.586 -10.080 1.00 0.00 H new ATOM 785 N ARG A 55 0.178 1.984 -11.078 1.00 0.00 N ATOM 786 CA ARG A 55 0.985 1.156 -11.966 1.00 0.00 C ATOM 787 C ARG A 55 0.991 -0.296 -11.498 1.00 0.00 C ATOM 788 O ARG A 55 1.025 -1.222 -12.310 1.00 0.00 O ATOM 789 CB ARG A 55 2.418 1.688 -12.033 1.00 0.00 C ATOM 790 CG ARG A 55 3.192 1.202 -13.247 1.00 0.00 C ATOM 791 CD ARG A 55 2.615 1.765 -14.537 1.00 0.00 C ATOM 792 NE ARG A 55 3.607 1.803 -15.609 1.00 0.00 N ATOM 793 CZ ARG A 55 3.294 1.808 -16.900 1.00 0.00 C ATOM 794 NH1 ARG A 55 2.024 1.776 -17.277 1.00 0.00 N ATOM 795 NH2 ARG A 55 4.253 1.844 -17.816 1.00 0.00 N ATOM 0 H ARG A 55 0.701 2.708 -10.585 1.00 0.00 H new ATOM 0 HA ARG A 55 0.543 1.197 -12.962 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.392 2.778 -12.042 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.950 1.389 -11.130 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.237 1.497 -13.155 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.170 0.113 -13.282 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.766 1.157 -14.850 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.237 2.771 -14.356 1.00 0.00 H new ATOM 0 HE ARG A 55 4.594 1.827 -15.352 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.284 1.747 -16.575 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.786 1.780 -18.269 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.232 1.868 -17.529 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.012 1.848 -18.807 1.00 0.00 H new ATOM 809 N THR A 56 0.960 -0.489 -10.183 1.00 0.00 N ATOM 810 CA THR A 56 0.964 -1.828 -9.606 1.00 0.00 C ATOM 811 C THR A 56 -0.269 -2.615 -10.037 1.00 0.00 C ATOM 812 O THR A 56 -0.206 -3.831 -10.226 1.00 0.00 O ATOM 813 CB THR A 56 1.015 -1.776 -8.068 1.00 0.00 C ATOM 814 OG1 THR A 56 2.222 -1.137 -7.639 1.00 0.00 O ATOM 815 CG2 THR A 56 0.938 -3.176 -7.477 1.00 0.00 C ATOM 0 H THR A 56 0.932 0.265 -9.497 1.00 0.00 H new ATOM 0 HA THR A 56 1.859 -2.329 -9.975 1.00 0.00 H new ATOM 0 HB THR A 56 0.157 -1.203 -7.717 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.168 -0.177 -7.826 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.976 -3.114 -6.389 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.004 -3.649 -7.781 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.779 -3.769 -7.836 1.00 0.00 H new ATOM 823 N LEU A 57 -1.388 -1.916 -10.191 1.00 0.00 N ATOM 824 CA LEU A 57 -2.636 -2.551 -10.600 1.00 0.00 C ATOM 825 C LEU A 57 -2.701 -2.696 -12.117 1.00 0.00 C ATOM 826 O LEU A 57 -3.159 -3.715 -12.633 1.00 0.00 O ATOM 827 CB LEU A 57 -3.832 -1.737 -10.103 1.00 0.00 C ATOM 828 CG LEU A 57 -4.263 -1.992 -8.658 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.119 -0.844 -8.146 1.00 0.00 C ATOM 830 CD2 LEU A 57 -5.016 -3.310 -8.551 1.00 0.00 C ATOM 0 H LEU A 57 -1.457 -0.910 -10.039 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.671 -3.546 -10.156 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.595 -0.678 -10.209 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.681 -1.940 -10.756 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.369 -2.056 -8.038 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.416 -1.043 -7.116 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.546 0.083 -8.186 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.009 -0.748 -8.768 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.315 -3.475 -7.516 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.903 -3.275 -9.184 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.370 -4.125 -8.877 1.00 0.00 H new ATOM 842 N GLN A 58 -2.237 -1.671 -12.825 1.00 0.00 N ATOM 843 CA GLN A 58 -2.241 -1.686 -14.283 1.00 0.00 C ATOM 844 C GLN A 58 -1.577 -2.951 -14.816 1.00 0.00 C ATOM 845 O GLN A 58 -2.202 -3.743 -15.522 1.00 0.00 O ATOM 846 CB GLN A 58 -1.524 -0.450 -14.829 1.00 0.00 C ATOM 847 CG GLN A 58 -2.428 0.764 -14.970 1.00 0.00 C ATOM 848 CD GLN A 58 -3.327 0.684 -16.188 1.00 0.00 C ATOM 849 OE1 GLN A 58 -4.553 0.697 -16.071 1.00 0.00 O ATOM 850 NE2 GLN A 58 -2.721 0.602 -17.367 1.00 0.00 N ATOM 0 H GLN A 58 -1.854 -0.820 -12.413 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.278 -1.673 -14.619 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.694 -0.200 -14.168 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.096 -0.689 -15.802 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.043 0.860 -14.075 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.815 1.663 -15.034 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.702 0.594 -17.417 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.274 0.547 -18.222 1.00 0.00 H new ATOM 859 N LEU A 59 -0.306 -3.135 -14.475 1.00 0.00 N ATOM 860 CA LEU A 59 0.444 -4.304 -14.919 1.00 0.00 C ATOM 861 C LEU A 59 -0.269 -5.593 -14.522 1.00 0.00 C ATOM 862 O LEU A 59 -0.243 -6.580 -15.256 1.00 0.00 O ATOM 863 CB LEU A 59 1.855 -4.285 -14.328 1.00 0.00 C ATOM 864 CG LEU A 59 2.631 -2.977 -14.486 1.00 0.00 C ATOM 865 CD1 LEU A 59 3.664 -2.832 -13.379 1.00 0.00 C ATOM 866 CD2 LEU A 59 3.298 -2.914 -15.852 1.00 0.00 C ATOM 0 H LEU A 59 0.227 -2.489 -13.892 1.00 0.00 H new ATOM 0 HA LEU A 59 0.512 -4.269 -16.006 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.785 -4.517 -13.265 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.432 -5.085 -14.792 1.00 0.00 H new ATOM 0 HG LEU A 59 1.927 -2.148 -14.409 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.206 -1.895 -13.508 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.162 -2.831 -12.411 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.364 -3.666 -13.423 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.846 -1.976 -15.947 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.989 -3.750 -15.958 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.538 -2.970 -16.631 1.00 0.00 H new ATOM 878 N TRP A 60 -0.906 -5.574 -13.357 1.00 0.00 N ATOM 879 CA TRP A 60 -1.628 -6.741 -12.862 1.00 0.00 C ATOM 880 C TRP A 60 -2.907 -6.968 -13.661 1.00 0.00 C ATOM 881 O TRP A 60 -3.322 -8.107 -13.877 1.00 0.00 O ATOM 882 CB TRP A 60 -1.962 -6.569 -11.379 1.00 0.00 C ATOM 883 CG TRP A 60 -3.194 -7.311 -10.958 1.00 0.00 C ATOM 884 CD1 TRP A 60 -4.473 -6.831 -10.937 1.00 0.00 C ATOM 885 CD2 TRP A 60 -3.264 -8.664 -10.495 1.00 0.00 C ATOM 886 NE1 TRP A 60 -5.333 -7.805 -10.489 1.00 0.00 N ATOM 887 CE2 TRP A 60 -4.616 -8.938 -10.212 1.00 0.00 C ATOM 888 CE3 TRP A 60 -2.316 -9.671 -10.294 1.00 0.00 C ATOM 889 CZ2 TRP A 60 -5.040 -10.177 -9.738 1.00 0.00 C ATOM 890 CZ3 TRP A 60 -2.738 -10.899 -9.823 1.00 0.00 C ATOM 891 CH2 TRP A 60 -4.091 -11.144 -9.550 1.00 0.00 C ATOM 0 H TRP A 60 -0.938 -4.764 -12.738 1.00 0.00 H new ATOM 0 HA TRP A 60 -0.986 -7.613 -12.983 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.118 -6.913 -10.781 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.094 -5.509 -11.164 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.765 -5.833 -11.229 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.342 -7.701 -10.380 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.272 -9.492 -10.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.082 -10.368 -9.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -2.013 -11.684 -9.662 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.390 -12.115 -9.184 1.00 0.00 H new ATOM 902 N LEU A 61 -3.529 -5.877 -14.096 1.00 0.00 N ATOM 903 CA LEU A 61 -4.762 -5.958 -14.872 1.00 0.00 C ATOM 904 C LEU A 61 -4.488 -6.488 -16.276 1.00 0.00 C ATOM 905 O LEU A 61 -5.352 -7.110 -16.894 1.00 0.00 O ATOM 906 CB LEU A 61 -5.427 -4.583 -14.954 1.00 0.00 C ATOM 907 CG LEU A 61 -6.382 -4.230 -13.814 1.00 0.00 C ATOM 908 CD1 LEU A 61 -6.767 -2.760 -13.876 1.00 0.00 C ATOM 909 CD2 LEU A 61 -7.622 -5.111 -13.865 1.00 0.00 C ATOM 0 H LEU A 61 -3.200 -4.927 -13.925 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.435 -6.651 -14.367 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.645 -3.825 -14.994 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.977 -4.523 -15.893 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.871 -4.411 -12.868 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.447 -2.527 -13.057 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.871 -2.145 -13.790 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.259 -2.553 -14.826 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.291 -4.846 -13.046 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.135 -4.962 -14.815 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.329 -6.157 -13.770 1.00 0.00 H new ATOM 921 N ASP A 62 -3.281 -6.240 -16.771 1.00 0.00 N ATOM 922 CA ASP A 62 -2.892 -6.695 -18.101 1.00 0.00 C ATOM 923 C ASP A 62 -2.325 -8.110 -18.047 1.00 0.00 C ATOM 924 O ASP A 62 -2.468 -8.883 -18.993 1.00 0.00 O ATOM 925 CB ASP A 62 -1.861 -5.742 -18.708 1.00 0.00 C ATOM 926 CG ASP A 62 -1.916 -5.719 -20.223 1.00 0.00 C ATOM 927 OD1 ASP A 62 -2.882 -5.151 -20.773 1.00 0.00 O ATOM 928 OD2 ASP A 62 -0.992 -6.270 -20.859 1.00 0.00 O ATOM 0 H ASP A 62 -2.555 -5.726 -16.272 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.782 -6.703 -18.730 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.031 -4.736 -18.326 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.862 -6.040 -18.388 1.00 0.00 H new ATOM 933 N ASN A 63 -1.681 -8.442 -16.932 1.00 0.00 N ATOM 934 CA ASN A 63 -1.091 -9.764 -16.755 1.00 0.00 C ATOM 935 C ASN A 63 -1.476 -10.355 -15.402 1.00 0.00 C ATOM 936 O ASN A 63 -0.630 -10.805 -14.630 1.00 0.00 O ATOM 937 CB ASN A 63 0.432 -9.686 -16.875 1.00 0.00 C ATOM 938 CG ASN A 63 1.029 -10.936 -17.491 1.00 0.00 C ATOM 939 OD1 ASN A 63 1.626 -10.888 -18.567 1.00 0.00 O ATOM 940 ND2 ASN A 63 0.869 -12.065 -16.810 1.00 0.00 N ATOM 0 H ASN A 63 -1.555 -7.814 -16.138 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.478 -10.415 -17.539 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.702 -8.821 -17.481 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.864 -9.530 -15.886 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.248 -12.939 -17.175 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.367 -12.058 -15.922 1.00 0.00 H new ATOM 947 N PRO A 64 -2.785 -10.354 -15.107 1.00 0.00 N ATOM 948 CA PRO A 64 -3.312 -10.888 -13.848 1.00 0.00 C ATOM 949 C PRO A 64 -3.194 -12.406 -13.767 1.00 0.00 C ATOM 950 O PRO A 64 -3.632 -13.022 -12.795 1.00 0.00 O ATOM 951 CB PRO A 64 -4.784 -10.467 -13.873 1.00 0.00 C ATOM 952 CG PRO A 64 -5.110 -10.318 -15.319 1.00 0.00 C ATOM 953 CD PRO A 64 -3.850 -9.834 -15.981 1.00 0.00 C ATOM 0 HA PRO A 64 -2.762 -10.514 -12.985 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.418 -11.216 -13.399 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.938 -9.532 -13.334 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.435 -11.267 -15.745 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.924 -9.608 -15.464 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.758 -10.216 -16.998 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.822 -8.746 -16.045 1.00 0.00 H new ATOM 961 N LYS A 65 -2.599 -13.004 -14.793 1.00 0.00 N ATOM 962 CA LYS A 65 -2.421 -14.451 -14.838 1.00 0.00 C ATOM 963 C LYS A 65 -1.173 -14.869 -14.067 1.00 0.00 C ATOM 964 O LYS A 65 -0.845 -16.054 -13.996 1.00 0.00 O ATOM 965 CB LYS A 65 -2.322 -14.929 -16.288 1.00 0.00 C ATOM 966 CG LYS A 65 -1.208 -14.260 -17.074 1.00 0.00 C ATOM 967 CD LYS A 65 -0.650 -15.182 -18.146 1.00 0.00 C ATOM 968 CE LYS A 65 0.730 -14.735 -18.603 1.00 0.00 C ATOM 969 NZ LYS A 65 0.692 -13.395 -19.251 1.00 0.00 N ATOM 0 H LYS A 65 -2.231 -12.509 -15.605 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.289 -14.914 -14.369 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.164 -16.007 -16.296 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.272 -14.742 -16.789 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.585 -13.348 -17.537 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.408 -13.965 -16.394 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.594 -16.200 -17.759 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.328 -15.202 -18.999 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.404 -14.706 -17.747 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.135 -15.466 -19.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.547 -12.861 -18.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.652 -13.510 -20.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.149 -12.877 -18.927 1.00 0.00 H new ATOM 983 N ILE A 66 -0.483 -13.891 -13.492 1.00 0.00 N ATOM 984 CA ILE A 66 0.727 -14.159 -12.725 1.00 0.00 C ATOM 985 C ILE A 66 0.806 -13.266 -11.491 1.00 0.00 C ATOM 986 O ILE A 66 0.307 -12.141 -11.496 1.00 0.00 O ATOM 987 CB ILE A 66 1.993 -13.950 -13.578 1.00 0.00 C ATOM 988 CG1 ILE A 66 2.241 -12.457 -13.803 1.00 0.00 C ATOM 989 CG2 ILE A 66 1.861 -14.677 -14.908 1.00 0.00 C ATOM 990 CD1 ILE A 66 3.529 -12.164 -14.540 1.00 0.00 C ATOM 0 H ILE A 66 -0.741 -12.905 -13.542 1.00 0.00 H new ATOM 0 HA ILE A 66 0.677 -15.202 -12.413 1.00 0.00 H new ATOM 0 HB ILE A 66 2.847 -14.365 -13.043 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.406 -12.039 -14.366 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.260 -11.950 -12.838 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.763 -14.520 -15.500 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.726 -15.744 -14.728 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.999 -14.289 -15.451 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.640 -11.087 -14.664 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.372 -12.552 -13.968 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.505 -12.642 -15.519 1.00 0.00 H new ATOM 1002 N GLN A 67 1.437 -13.774 -10.438 1.00 0.00 N ATOM 1003 CA GLN A 67 1.582 -13.021 -9.198 1.00 0.00 C ATOM 1004 C GLN A 67 2.545 -11.853 -9.380 1.00 0.00 C ATOM 1005 O GLN A 67 3.636 -12.014 -9.929 1.00 0.00 O ATOM 1006 CB GLN A 67 2.077 -13.936 -8.076 1.00 0.00 C ATOM 1007 CG GLN A 67 3.581 -14.152 -8.087 1.00 0.00 C ATOM 1008 CD GLN A 67 4.067 -14.813 -9.361 1.00 0.00 C ATOM 1009 OE1 GLN A 67 3.696 -15.947 -9.667 1.00 0.00 O ATOM 1010 NE2 GLN A 67 4.902 -14.106 -10.114 1.00 0.00 N ATOM 0 H GLN A 67 1.856 -14.704 -10.418 1.00 0.00 H new ATOM 0 HA GLN A 67 0.604 -12.623 -8.928 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.786 -13.510 -7.116 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.579 -14.902 -8.160 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.083 -13.192 -7.966 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.862 -14.768 -7.233 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.183 -13.170 -9.823 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.262 -14.499 -10.984 1.00 0.00 H new ATOM 1019 N LEU A 68 2.136 -10.678 -8.916 1.00 0.00 N ATOM 1020 CA LEU A 68 2.963 -9.481 -9.027 1.00 0.00 C ATOM 1021 C LEU A 68 3.828 -9.299 -7.784 1.00 0.00 C ATOM 1022 O LEU A 68 3.357 -8.826 -6.749 1.00 0.00 O ATOM 1023 CB LEU A 68 2.083 -8.247 -9.235 1.00 0.00 C ATOM 1024 CG LEU A 68 2.780 -7.017 -9.818 1.00 0.00 C ATOM 1025 CD1 LEU A 68 3.325 -7.319 -11.205 1.00 0.00 C ATOM 1026 CD2 LEU A 68 1.823 -5.834 -9.864 1.00 0.00 C ATOM 0 H LEU A 68 1.236 -10.528 -8.459 1.00 0.00 H new ATOM 0 HA LEU A 68 3.619 -9.602 -9.889 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.259 -8.520 -9.894 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.645 -7.971 -8.275 1.00 0.00 H new ATOM 0 HG LEU A 68 3.617 -6.757 -9.171 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.817 -6.432 -11.604 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.044 -8.136 -11.144 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.505 -7.606 -11.864 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.336 -4.967 -10.282 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.965 -6.084 -10.488 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.482 -5.602 -8.855 1.00 0.00 H new ATOM 1038 N THR A 69 5.098 -9.676 -7.893 1.00 0.00 N ATOM 1039 CA THR A 69 6.030 -9.554 -6.779 1.00 0.00 C ATOM 1040 C THR A 69 6.481 -8.110 -6.596 1.00 0.00 C ATOM 1041 O THR A 69 6.268 -7.267 -7.467 1.00 0.00 O ATOM 1042 CB THR A 69 7.270 -10.445 -6.984 1.00 0.00 C ATOM 1043 OG1 THR A 69 8.038 -9.968 -8.094 1.00 0.00 O ATOM 1044 CG2 THR A 69 6.863 -11.891 -7.226 1.00 0.00 C ATOM 0 H THR A 69 5.505 -10.069 -8.742 1.00 0.00 H new ATOM 0 HA THR A 69 5.499 -9.882 -5.885 1.00 0.00 H new ATOM 0 HB THR A 69 7.875 -10.401 -6.079 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.825 -10.539 -8.216 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.755 -12.501 -7.368 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.304 -12.260 -6.366 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.238 -11.949 -8.117 1.00 0.00 H new ATOM 1052 N PHE A 70 7.107 -7.830 -5.457 1.00 0.00 N ATOM 1053 CA PHE A 70 7.588 -6.487 -5.159 1.00 0.00 C ATOM 1054 C PHE A 70 8.648 -6.052 -6.168 1.00 0.00 C ATOM 1055 O PHE A 70 8.630 -4.922 -6.653 1.00 0.00 O ATOM 1056 CB PHE A 70 8.164 -6.431 -3.742 1.00 0.00 C ATOM 1057 CG PHE A 70 9.074 -5.259 -3.511 1.00 0.00 C ATOM 1058 CD1 PHE A 70 8.555 -4.011 -3.204 1.00 0.00 C ATOM 1059 CD2 PHE A 70 10.449 -5.405 -3.600 1.00 0.00 C ATOM 1060 CE1 PHE A 70 9.391 -2.931 -2.992 1.00 0.00 C ATOM 1061 CE2 PHE A 70 11.290 -4.328 -3.388 1.00 0.00 C ATOM 1062 CZ PHE A 70 10.760 -3.090 -3.083 1.00 0.00 C ATOM 0 H PHE A 70 7.293 -8.516 -4.726 1.00 0.00 H new ATOM 0 HA PHE A 70 6.743 -5.802 -5.228 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.343 -6.390 -3.026 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.713 -7.352 -3.545 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.485 -3.881 -3.130 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.869 -6.371 -3.838 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.974 -1.963 -2.755 1.00 0.00 H new ATOM 0 HE2 PHE A 70 12.360 -4.455 -3.461 1.00 0.00 H new ATOM 0 HZ PHE A 70 11.415 -2.248 -2.916 1.00 0.00 H new ATOM 1072 N GLU A 71 9.569 -6.959 -6.477 1.00 0.00 N ATOM 1073 CA GLU A 71 10.637 -6.669 -7.427 1.00 0.00 C ATOM 1074 C GLU A 71 10.065 -6.234 -8.773 1.00 0.00 C ATOM 1075 O GLU A 71 10.310 -5.119 -9.232 1.00 0.00 O ATOM 1076 CB GLU A 71 11.531 -7.897 -7.613 1.00 0.00 C ATOM 1077 CG GLU A 71 12.644 -8.001 -6.584 1.00 0.00 C ATOM 1078 CD GLU A 71 13.880 -7.217 -6.979 1.00 0.00 C ATOM 1079 OE1 GLU A 71 14.185 -7.162 -8.190 1.00 0.00 O ATOM 1080 OE2 GLU A 71 14.543 -6.659 -6.080 1.00 0.00 O ATOM 0 H GLU A 71 9.597 -7.900 -6.084 1.00 0.00 H new ATOM 0 HA GLU A 71 11.234 -5.851 -7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.915 -8.795 -7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.971 -7.868 -8.610 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.280 -7.638 -5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.911 -9.049 -6.448 1.00 0.00 H new ATOM 1087 N ALA A 72 9.301 -7.123 -9.400 1.00 0.00 N ATOM 1088 CA ALA A 72 8.693 -6.832 -10.692 1.00 0.00 C ATOM 1089 C ALA A 72 8.091 -5.431 -10.712 1.00 0.00 C ATOM 1090 O ALA A 72 8.479 -4.588 -11.521 1.00 0.00 O ATOM 1091 CB ALA A 72 7.630 -7.869 -11.021 1.00 0.00 C ATOM 0 H ALA A 72 9.089 -8.051 -9.034 1.00 0.00 H new ATOM 0 HA ALA A 72 9.474 -6.875 -11.451 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.184 -7.639 -11.989 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.086 -8.858 -11.057 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.857 -7.854 -10.253 1.00 0.00 H new ATOM 1097 N THR A 73 7.140 -5.187 -9.815 1.00 0.00 N ATOM 1098 CA THR A 73 6.483 -3.889 -9.731 1.00 0.00 C ATOM 1099 C THR A 73 7.503 -2.757 -9.716 1.00 0.00 C ATOM 1100 O THR A 73 7.321 -1.734 -10.379 1.00 0.00 O ATOM 1101 CB THR A 73 5.601 -3.786 -8.472 1.00 0.00 C ATOM 1102 OG1 THR A 73 4.662 -4.867 -8.442 1.00 0.00 O ATOM 1103 CG2 THR A 73 4.856 -2.460 -8.440 1.00 0.00 C ATOM 0 H THR A 73 6.808 -5.872 -9.136 1.00 0.00 H new ATOM 0 HA THR A 73 5.853 -3.796 -10.616 1.00 0.00 H new ATOM 0 HB THR A 73 6.248 -3.842 -7.597 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.095 -5.666 -8.076 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.240 -2.410 -7.542 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.574 -1.640 -8.434 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.220 -2.379 -9.321 1.00 0.00 H new ATOM 1111 N LEU A 74 8.578 -2.944 -8.958 1.00 0.00 N ATOM 1112 CA LEU A 74 9.629 -1.937 -8.858 1.00 0.00 C ATOM 1113 C LEU A 74 10.342 -1.760 -10.194 1.00 0.00 C ATOM 1114 O LEU A 74 10.485 -0.642 -10.688 1.00 0.00 O ATOM 1115 CB LEU A 74 10.637 -2.331 -7.777 1.00 0.00 C ATOM 1116 CG LEU A 74 11.980 -1.600 -7.814 1.00 0.00 C ATOM 1117 CD1 LEU A 74 11.861 -0.230 -7.165 1.00 0.00 C ATOM 1118 CD2 LEU A 74 13.056 -2.428 -7.126 1.00 0.00 C ATOM 0 H LEU A 74 8.745 -3.784 -8.404 1.00 0.00 H new ATOM 0 HA LEU A 74 9.166 -0.988 -8.586 1.00 0.00 H new ATOM 0 HB2 LEU A 74 10.180 -2.160 -6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.826 -3.401 -7.857 1.00 0.00 H new ATOM 0 HG LEU A 74 12.268 -1.460 -8.856 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.826 0.275 -7.201 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.121 0.364 -7.702 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.550 -0.345 -6.127 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.005 -1.893 -7.162 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.775 -2.599 -6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.160 -3.386 -7.636 1.00 0.00 H new ATOM 1130 N GLN A 75 10.785 -2.871 -10.774 1.00 0.00 N ATOM 1131 CA GLN A 75 11.482 -2.837 -12.055 1.00 0.00 C ATOM 1132 C GLN A 75 10.659 -2.097 -13.103 1.00 0.00 C ATOM 1133 O GLN A 75 11.175 -1.236 -13.816 1.00 0.00 O ATOM 1134 CB GLN A 75 11.780 -4.259 -12.534 1.00 0.00 C ATOM 1135 CG GLN A 75 12.830 -4.975 -11.699 1.00 0.00 C ATOM 1136 CD GLN A 75 13.532 -6.079 -12.465 1.00 0.00 C ATOM 1137 OE1 GLN A 75 13.058 -7.214 -12.514 1.00 0.00 O ATOM 1138 NE2 GLN A 75 14.668 -5.750 -13.069 1.00 0.00 N ATOM 0 H GLN A 75 10.674 -3.804 -10.378 1.00 0.00 H new ATOM 0 HA GLN A 75 12.422 -2.303 -11.915 1.00 0.00 H new ATOM 0 HB2 GLN A 75 10.858 -4.840 -12.518 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.116 -4.222 -13.570 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.569 -4.252 -11.353 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.357 -5.397 -10.812 1.00 0.00 H new ATOM 0 HE21 GLN A 75 15.024 -4.796 -13.002 1.00 0.00 H new ATOM 0 HE22 GLN A 75 15.185 -6.451 -13.600 1.00 0.00 H new ATOM 1147 N GLN A 76 9.377 -2.437 -13.192 1.00 0.00 N ATOM 1148 CA GLN A 76 8.484 -1.805 -14.154 1.00 0.00 C ATOM 1149 C GLN A 76 8.282 -0.330 -13.822 1.00 0.00 C ATOM 1150 O GLN A 76 8.173 0.510 -14.717 1.00 0.00 O ATOM 1151 CB GLN A 76 7.134 -2.524 -14.178 1.00 0.00 C ATOM 1152 CG GLN A 76 7.232 -3.991 -14.565 1.00 0.00 C ATOM 1153 CD GLN A 76 6.038 -4.799 -14.098 1.00 0.00 C ATOM 1154 OE1 GLN A 76 5.216 -5.236 -14.904 1.00 0.00 O ATOM 1155 NE2 GLN A 76 5.936 -5.003 -12.790 1.00 0.00 N ATOM 0 H GLN A 76 8.934 -3.147 -12.609 1.00 0.00 H new ATOM 0 HA GLN A 76 8.944 -1.877 -15.140 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.673 -2.447 -13.193 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.473 -2.015 -14.880 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.319 -4.072 -15.648 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.142 -4.415 -14.140 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.640 -4.622 -12.158 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.153 -5.540 -12.417 1.00 0.00 H new ATOM 1164 N LEU A 77 8.232 -0.021 -12.531 1.00 0.00 N ATOM 1165 CA LEU A 77 8.043 1.353 -12.080 1.00 0.00 C ATOM 1166 C LEU A 77 9.090 2.277 -12.694 1.00 0.00 C ATOM 1167 O LEU A 77 10.126 1.821 -13.176 1.00 0.00 O ATOM 1168 CB LEU A 77 8.115 1.425 -10.554 1.00 0.00 C ATOM 1169 CG LEU A 77 6.780 1.324 -9.814 1.00 0.00 C ATOM 1170 CD1 LEU A 77 6.999 0.872 -8.378 1.00 0.00 C ATOM 1171 CD2 LEU A 77 6.049 2.659 -9.849 1.00 0.00 C ATOM 0 H LEU A 77 8.320 -0.704 -11.778 1.00 0.00 H new ATOM 0 HA LEU A 77 7.057 1.684 -12.407 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.764 0.623 -10.203 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.591 2.365 -10.277 1.00 0.00 H new ATOM 0 HG LEU A 77 6.162 0.580 -10.317 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.039 0.806 -7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.480 -0.106 -8.374 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.635 1.592 -7.863 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.101 2.569 -9.318 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.662 3.422 -9.370 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.859 2.943 -10.884 1.00 0.00 H new ATOM 1183 N GLU A 78 8.813 3.577 -12.669 1.00 0.00 N ATOM 1184 CA GLU A 78 9.732 4.564 -13.222 1.00 0.00 C ATOM 1185 C GLU A 78 9.980 5.694 -12.227 1.00 0.00 C ATOM 1186 O GLU A 78 9.050 6.386 -11.813 1.00 0.00 O ATOM 1187 CB GLU A 78 9.179 5.133 -14.530 1.00 0.00 C ATOM 1188 CG GLU A 78 7.822 5.799 -14.378 1.00 0.00 C ATOM 1189 CD GLU A 78 7.307 6.379 -15.681 1.00 0.00 C ATOM 1190 OE1 GLU A 78 7.446 5.707 -16.725 1.00 0.00 O ATOM 1191 OE2 GLU A 78 6.766 7.504 -15.658 1.00 0.00 O ATOM 0 H GLU A 78 7.960 3.971 -12.272 1.00 0.00 H new ATOM 0 HA GLU A 78 10.680 4.066 -13.424 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.888 5.859 -14.929 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.100 4.329 -15.262 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.104 5.071 -14.000 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.892 6.593 -13.634 1.00 0.00 H new ATOM 1198 N ALA A 79 11.241 5.875 -11.847 1.00 0.00 N ATOM 1199 CA ALA A 79 11.611 6.921 -10.903 1.00 0.00 C ATOM 1200 C ALA A 79 10.921 8.237 -11.242 1.00 0.00 C ATOM 1201 O ALA A 79 10.568 8.503 -12.392 1.00 0.00 O ATOM 1202 CB ALA A 79 13.122 7.105 -10.885 1.00 0.00 C ATOM 0 H ALA A 79 12.023 5.310 -12.179 1.00 0.00 H new ATOM 0 HA ALA A 79 11.281 6.613 -9.911 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.385 7.890 -10.175 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.599 6.171 -10.586 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.466 7.386 -11.880 1.00 0.00 H new ATOM 1208 N PRO A 80 10.721 9.083 -10.220 1.00 0.00 N ATOM 1209 CA PRO A 80 11.136 8.777 -8.848 1.00 0.00 C ATOM 1210 C PRO A 80 10.297 7.668 -8.222 1.00 0.00 C ATOM 1211 O PRO A 80 10.539 7.260 -7.086 1.00 0.00 O ATOM 1212 CB PRO A 80 10.912 10.098 -8.107 1.00 0.00 C ATOM 1213 CG PRO A 80 9.856 10.798 -8.891 1.00 0.00 C ATOM 1214 CD PRO A 80 10.074 10.401 -10.325 1.00 0.00 C ATOM 0 HA PRO A 80 12.163 8.416 -8.804 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.593 9.926 -7.079 1.00 0.00 H new ATOM 0 HB3 PRO A 80 11.828 10.687 -8.062 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.861 10.508 -8.552 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.931 11.879 -8.769 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.134 10.344 -10.874 1.00 0.00 H new ATOM 0 HD3 PRO A 80 10.706 11.118 -10.849 1.00 0.00 H new ATOM 1222 N TYR A 81 9.313 7.183 -8.970 1.00 0.00 N ATOM 1223 CA TYR A 81 8.437 6.122 -8.488 1.00 0.00 C ATOM 1224 C TYR A 81 9.250 4.941 -7.965 1.00 0.00 C ATOM 1225 O TYR A 81 8.994 4.432 -6.874 1.00 0.00 O ATOM 1226 CB TYR A 81 7.502 5.656 -9.605 1.00 0.00 C ATOM 1227 CG TYR A 81 6.816 6.790 -10.332 1.00 0.00 C ATOM 1228 CD1 TYR A 81 6.511 7.977 -9.678 1.00 0.00 C ATOM 1229 CD2 TYR A 81 6.470 6.674 -11.673 1.00 0.00 C ATOM 1230 CE1 TYR A 81 5.883 9.016 -10.338 1.00 0.00 C ATOM 1231 CE2 TYR A 81 5.844 7.708 -12.341 1.00 0.00 C ATOM 1232 CZ TYR A 81 5.552 8.877 -11.669 1.00 0.00 C ATOM 1233 OH TYR A 81 4.927 9.908 -12.331 1.00 0.00 O ATOM 0 H TYR A 81 9.102 7.508 -9.913 1.00 0.00 H new ATOM 0 HA TYR A 81 7.841 6.522 -7.668 1.00 0.00 H new ATOM 0 HB2 TYR A 81 8.073 5.067 -10.323 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.745 4.996 -9.182 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.769 8.090 -8.635 1.00 0.00 H new ATOM 0 HD2 TYR A 81 6.695 5.759 -12.202 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.653 9.932 -9.814 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.584 7.602 -13.384 1.00 0.00 H new ATOM 0 HH TYR A 81 4.009 9.646 -12.553 1.00 0.00 H new ATOM 1243 N ASN A 82 10.232 4.512 -8.751 1.00 0.00 N ATOM 1244 CA ASN A 82 11.083 3.391 -8.368 1.00 0.00 C ATOM 1245 C ASN A 82 12.190 3.848 -7.423 1.00 0.00 C ATOM 1246 O ASN A 82 12.707 3.061 -6.629 1.00 0.00 O ATOM 1247 CB ASN A 82 11.694 2.740 -9.611 1.00 0.00 C ATOM 1248 CG ASN A 82 12.690 3.647 -10.308 1.00 0.00 C ATOM 1249 OD1 ASN A 82 13.437 4.381 -9.661 1.00 0.00 O ATOM 1250 ND2 ASN A 82 12.704 3.600 -11.635 1.00 0.00 N ATOM 0 H ASN A 82 10.458 4.923 -9.657 1.00 0.00 H new ATOM 0 HA ASN A 82 10.466 2.658 -7.849 1.00 0.00 H new ATOM 0 HB2 ASN A 82 12.190 1.812 -9.325 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.898 2.475 -10.307 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.352 4.188 -12.159 1.00 0.00 H new ATOM 0 HD22 ASN A 82 12.067 2.976 -12.130 1.00 0.00 H new ATOM 1257 N SER A 83 12.549 5.124 -7.514 1.00 0.00 N ATOM 1258 CA SER A 83 13.597 5.686 -6.669 1.00 0.00 C ATOM 1259 C SER A 83 13.343 5.362 -5.200 1.00 0.00 C ATOM 1260 O SER A 83 14.250 4.948 -4.478 1.00 0.00 O ATOM 1261 CB SER A 83 13.681 7.201 -6.862 1.00 0.00 C ATOM 1262 OG SER A 83 14.596 7.534 -7.892 1.00 0.00 O ATOM 0 H SER A 83 12.130 5.789 -8.164 1.00 0.00 H new ATOM 0 HA SER A 83 14.546 5.237 -6.963 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.694 7.595 -7.106 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.991 7.673 -5.930 1.00 0.00 H new ATOM 0 HG SER A 83 14.630 8.508 -7.997 1.00 0.00 H new ATOM 1268 N ASP A 84 12.102 5.555 -4.765 1.00 0.00 N ATOM 1269 CA ASP A 84 11.726 5.283 -3.383 1.00 0.00 C ATOM 1270 C ASP A 84 11.178 3.867 -3.237 1.00 0.00 C ATOM 1271 O ASP A 84 9.970 3.643 -3.332 1.00 0.00 O ATOM 1272 CB ASP A 84 10.686 6.297 -2.906 1.00 0.00 C ATOM 1273 CG ASP A 84 11.317 7.577 -2.394 1.00 0.00 C ATOM 1274 OD1 ASP A 84 12.405 7.500 -1.787 1.00 0.00 O ATOM 1275 OD2 ASP A 84 10.722 8.656 -2.600 1.00 0.00 O ATOM 0 H ASP A 84 11.340 5.899 -5.350 1.00 0.00 H new ATOM 0 HA ASP A 84 12.620 5.373 -2.765 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.009 6.532 -3.727 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.084 5.850 -2.115 1.00 0.00 H new ATOM 1280 N THR A 85 12.073 2.911 -3.007 1.00 0.00 N ATOM 1281 CA THR A 85 11.680 1.517 -2.851 1.00 0.00 C ATOM 1282 C THR A 85 10.744 1.340 -1.661 1.00 0.00 C ATOM 1283 O THR A 85 9.705 0.688 -1.767 1.00 0.00 O ATOM 1284 CB THR A 85 12.907 0.605 -2.664 1.00 0.00 C ATOM 1285 OG1 THR A 85 13.740 1.113 -1.616 1.00 0.00 O ATOM 1286 CG2 THR A 85 13.709 0.505 -3.953 1.00 0.00 C ATOM 0 H THR A 85 13.076 3.078 -2.925 1.00 0.00 H new ATOM 0 HA THR A 85 11.160 1.231 -3.765 1.00 0.00 H new ATOM 0 HB THR A 85 12.554 -0.391 -2.396 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.517 0.527 -1.502 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.570 -0.144 -3.796 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.081 0.090 -4.741 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.051 1.497 -4.246 1.00 0.00 H new ATOM 1294 N VAL A 86 11.117 1.924 -0.527 1.00 0.00 N ATOM 1295 CA VAL A 86 10.309 1.832 0.683 1.00 0.00 C ATOM 1296 C VAL A 86 8.834 2.063 0.377 1.00 0.00 C ATOM 1297 O VAL A 86 7.966 1.340 0.868 1.00 0.00 O ATOM 1298 CB VAL A 86 10.768 2.851 1.743 1.00 0.00 C ATOM 1299 CG1 VAL A 86 10.256 4.243 1.404 1.00 0.00 C ATOM 1300 CG2 VAL A 86 10.303 2.425 3.127 1.00 0.00 C ATOM 0 H VAL A 86 11.974 2.466 -0.421 1.00 0.00 H new ATOM 0 HA VAL A 86 10.442 0.824 1.077 1.00 0.00 H new ATOM 0 HB VAL A 86 11.858 2.882 1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.590 4.949 2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.644 4.546 0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.166 4.232 1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.636 3.156 3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.215 2.364 3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.725 1.449 3.368 1.00 0.00 H new ATOM 1310 N LEU A 87 8.555 3.076 -0.437 1.00 0.00 N ATOM 1311 CA LEU A 87 7.183 3.403 -0.809 1.00 0.00 C ATOM 1312 C LEU A 87 6.570 2.293 -1.657 1.00 0.00 C ATOM 1313 O LEU A 87 5.417 1.910 -1.457 1.00 0.00 O ATOM 1314 CB LEU A 87 7.144 4.726 -1.576 1.00 0.00 C ATOM 1315 CG LEU A 87 5.797 5.449 -1.599 1.00 0.00 C ATOM 1316 CD1 LEU A 87 5.311 5.717 -0.183 1.00 0.00 C ATOM 1317 CD2 LEU A 87 5.901 6.748 -2.384 1.00 0.00 C ATOM 0 H LEU A 87 9.261 3.685 -0.852 1.00 0.00 H new ATOM 0 HA LEU A 87 6.598 3.502 0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.886 5.396 -1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.449 4.536 -2.605 1.00 0.00 H new ATOM 0 HG LEU A 87 5.070 4.806 -2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.351 6.232 -0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.196 4.772 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.037 6.340 0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.933 7.248 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.642 7.397 -1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.203 6.531 -3.409 1.00 0.00 H new ATOM 1329 N VAL A 88 7.349 1.778 -2.603 1.00 0.00 N ATOM 1330 CA VAL A 88 6.884 0.709 -3.478 1.00 0.00 C ATOM 1331 C VAL A 88 6.547 -0.547 -2.682 1.00 0.00 C ATOM 1332 O VAL A 88 5.572 -1.239 -2.977 1.00 0.00 O ATOM 1333 CB VAL A 88 7.938 0.360 -4.546 1.00 0.00 C ATOM 1334 CG1 VAL A 88 7.477 -0.822 -5.385 1.00 0.00 C ATOM 1335 CG2 VAL A 88 8.227 1.567 -5.425 1.00 0.00 C ATOM 0 H VAL A 88 8.305 2.084 -2.783 1.00 0.00 H new ATOM 0 HA VAL A 88 5.984 1.074 -3.972 1.00 0.00 H new ATOM 0 HB VAL A 88 8.862 0.078 -4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.234 -1.054 -6.134 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.326 -1.688 -4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.540 -0.572 -5.882 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.974 1.302 -6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.310 1.882 -5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.605 2.383 -4.809 1.00 0.00 H new ATOM 1345 N HIS A 89 7.360 -0.835 -1.671 1.00 0.00 N ATOM 1346 CA HIS A 89 7.148 -2.008 -0.830 1.00 0.00 C ATOM 1347 C HIS A 89 5.891 -1.846 0.021 1.00 0.00 C ATOM 1348 O HIS A 89 5.160 -2.809 0.253 1.00 0.00 O ATOM 1349 CB HIS A 89 8.361 -2.242 0.071 1.00 0.00 C ATOM 1350 CG HIS A 89 8.193 -3.393 1.014 1.00 0.00 C ATOM 1351 ND1 HIS A 89 8.965 -4.534 0.953 1.00 0.00 N ATOM 1352 CD2 HIS A 89 7.337 -3.574 2.047 1.00 0.00 C ATOM 1353 CE1 HIS A 89 8.589 -5.368 1.906 1.00 0.00 C ATOM 1354 NE2 HIS A 89 7.603 -4.809 2.585 1.00 0.00 N ATOM 0 H HIS A 89 8.171 -0.273 -1.414 1.00 0.00 H new ATOM 0 HA HIS A 89 7.016 -2.872 -1.481 1.00 0.00 H new ATOM 0 HB2 HIS A 89 9.238 -2.419 -0.552 1.00 0.00 H new ATOM 0 HB3 HIS A 89 8.556 -1.337 0.646 1.00 0.00 H new ATOM 0 HD2 HIS A 89 6.585 -2.877 2.385 1.00 0.00 H new ATOM 0 HE1 HIS A 89 9.015 -6.342 2.098 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.118 -5.227 3.379 1.00 0.00 H new ATOM 1363 N ARG A 90 5.648 -0.624 0.482 1.00 0.00 N ATOM 1364 CA ARG A 90 4.482 -0.338 1.309 1.00 0.00 C ATOM 1365 C ARG A 90 3.212 -0.304 0.463 1.00 0.00 C ATOM 1366 O ARG A 90 2.174 -0.833 0.861 1.00 0.00 O ATOM 1367 CB ARG A 90 4.660 0.997 2.035 1.00 0.00 C ATOM 1368 CG ARG A 90 5.835 1.014 2.998 1.00 0.00 C ATOM 1369 CD ARG A 90 6.294 2.434 3.291 1.00 0.00 C ATOM 1370 NE ARG A 90 6.953 2.539 4.591 1.00 0.00 N ATOM 1371 CZ ARG A 90 6.315 2.418 5.750 1.00 0.00 C ATOM 1372 NH1 ARG A 90 5.010 2.188 5.771 1.00 0.00 N ATOM 1373 NH2 ARG A 90 6.984 2.526 6.891 1.00 0.00 N ATOM 0 H ARG A 90 6.243 0.184 0.297 1.00 0.00 H new ATOM 0 HA ARG A 90 4.386 -1.135 2.047 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.795 1.787 1.297 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.747 1.227 2.585 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.551 0.523 3.929 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.662 0.443 2.575 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.979 2.762 2.510 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.436 3.105 3.264 1.00 0.00 H new ATOM 0 HE ARG A 90 7.958 2.715 4.610 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.493 2.103 4.896 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.523 2.096 6.662 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.989 2.702 6.878 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.494 2.433 7.781 1.00 0.00 H new ATOM 1387 N VAL A 91 3.302 0.323 -0.706 1.00 0.00 N ATOM 1388 CA VAL A 91 2.161 0.426 -1.608 1.00 0.00 C ATOM 1389 C VAL A 91 1.690 -0.953 -2.058 1.00 0.00 C ATOM 1390 O VAL A 91 0.534 -1.323 -1.853 1.00 0.00 O ATOM 1391 CB VAL A 91 2.502 1.270 -2.850 1.00 0.00 C ATOM 1392 CG1 VAL A 91 1.355 1.239 -3.849 1.00 0.00 C ATOM 1393 CG2 VAL A 91 2.831 2.700 -2.448 1.00 0.00 C ATOM 0 H VAL A 91 4.153 0.767 -1.050 1.00 0.00 H new ATOM 0 HA VAL A 91 1.362 0.917 -1.053 1.00 0.00 H new ATOM 0 HB VAL A 91 3.381 0.840 -3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.615 1.841 -4.720 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.171 0.211 -4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.456 1.643 -3.383 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.070 3.282 -3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.972 3.143 -1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.687 2.701 -1.774 1.00 0.00 H new ATOM 1403 N HIS A 92 2.594 -1.710 -2.671 1.00 0.00 N ATOM 1404 CA HIS A 92 2.272 -3.050 -3.150 1.00 0.00 C ATOM 1405 C HIS A 92 1.665 -3.894 -2.033 1.00 0.00 C ATOM 1406 O HIS A 92 0.890 -4.815 -2.289 1.00 0.00 O ATOM 1407 CB HIS A 92 3.524 -3.733 -3.699 1.00 0.00 C ATOM 1408 CG HIS A 92 3.231 -4.959 -4.508 1.00 0.00 C ATOM 1409 ND1 HIS A 92 2.896 -6.171 -3.942 1.00 0.00 N ATOM 1410 CD2 HIS A 92 3.223 -5.156 -5.847 1.00 0.00 C ATOM 1411 CE1 HIS A 92 2.696 -7.061 -4.898 1.00 0.00 C ATOM 1412 NE2 HIS A 92 2.888 -6.470 -6.064 1.00 0.00 N ATOM 0 H HIS A 92 3.555 -1.419 -2.848 1.00 0.00 H new ATOM 0 HA HIS A 92 1.538 -2.957 -3.951 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.074 -3.023 -4.317 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.175 -4.003 -2.867 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.440 -4.417 -6.604 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.422 -8.095 -4.751 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.801 -6.917 -6.977 1.00 0.00 H new ATOM 1421 N SER A 93 2.025 -3.574 -0.794 1.00 0.00 N ATOM 1422 CA SER A 93 1.520 -4.306 0.362 1.00 0.00 C ATOM 1423 C SER A 93 0.043 -4.004 0.594 1.00 0.00 C ATOM 1424 O SER A 93 -0.808 -4.886 0.480 1.00 0.00 O ATOM 1425 CB SER A 93 2.328 -3.949 1.611 1.00 0.00 C ATOM 1426 OG SER A 93 2.108 -4.891 2.647 1.00 0.00 O ATOM 0 H SER A 93 2.664 -2.813 -0.565 1.00 0.00 H new ATOM 0 HA SER A 93 1.627 -5.372 0.161 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.389 -3.916 1.364 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.050 -2.953 1.956 1.00 0.00 H new ATOM 0 HG SER A 93 2.637 -4.642 3.434 1.00 0.00 H new ATOM 1432 N TYR A 94 -0.253 -2.750 0.919 1.00 0.00 N ATOM 1433 CA TYR A 94 -1.627 -2.330 1.170 1.00 0.00 C ATOM 1434 C TYR A 94 -2.570 -2.891 0.110 1.00 0.00 C ATOM 1435 O TYR A 94 -3.704 -3.268 0.407 1.00 0.00 O ATOM 1436 CB TYR A 94 -1.719 -0.803 1.194 1.00 0.00 C ATOM 1437 CG TYR A 94 -3.085 -0.273 0.823 1.00 0.00 C ATOM 1438 CD1 TYR A 94 -3.420 -0.025 -0.502 1.00 0.00 C ATOM 1439 CD2 TYR A 94 -4.042 -0.021 1.799 1.00 0.00 C ATOM 1440 CE1 TYR A 94 -4.667 0.460 -0.845 1.00 0.00 C ATOM 1441 CE2 TYR A 94 -5.293 0.463 1.465 1.00 0.00 C ATOM 1442 CZ TYR A 94 -5.600 0.702 0.142 1.00 0.00 C ATOM 1443 OH TYR A 94 -6.844 1.184 -0.196 1.00 0.00 O ATOM 0 H TYR A 94 0.440 -2.007 1.015 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.928 -2.721 2.142 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.459 -0.447 2.191 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.980 -0.392 0.506 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.693 -0.215 -1.278 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.804 -0.207 2.836 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.910 0.649 -1.880 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.026 0.653 2.236 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.943 2.099 0.141 1.00 0.00 H new ATOM 1453 N LEU A 95 -2.093 -2.943 -1.129 1.00 0.00 N ATOM 1454 CA LEU A 95 -2.892 -3.458 -2.236 1.00 0.00 C ATOM 1455 C LEU A 95 -3.071 -4.968 -2.121 1.00 0.00 C ATOM 1456 O LEU A 95 -4.193 -5.463 -2.017 1.00 0.00 O ATOM 1457 CB LEU A 95 -2.233 -3.111 -3.572 1.00 0.00 C ATOM 1458 CG LEU A 95 -2.171 -1.624 -3.924 1.00 0.00 C ATOM 1459 CD1 LEU A 95 -1.019 -1.349 -4.878 1.00 0.00 C ATOM 1460 CD2 LEU A 95 -3.489 -1.164 -4.529 1.00 0.00 C ATOM 0 H LEU A 95 -1.157 -2.635 -1.392 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.875 -2.989 -2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.217 -3.505 -3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.771 -3.629 -4.365 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.999 -1.060 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.991 -0.286 -5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.080 -1.640 -4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.160 -1.923 -5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.427 -0.104 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.692 -1.734 -5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.294 -1.324 -3.812 1.00 0.00 H new ATOM 1472 N GLU A 96 -1.958 -5.694 -2.139 1.00 0.00 N ATOM 1473 CA GLU A 96 -1.993 -7.148 -2.036 1.00 0.00 C ATOM 1474 C GLU A 96 -2.611 -7.585 -0.711 1.00 0.00 C ATOM 1475 O GLU A 96 -3.635 -8.268 -0.686 1.00 0.00 O ATOM 1476 CB GLU A 96 -0.582 -7.725 -2.167 1.00 0.00 C ATOM 1477 CG GLU A 96 -0.529 -9.239 -2.042 1.00 0.00 C ATOM 1478 CD GLU A 96 0.887 -9.779 -2.088 1.00 0.00 C ATOM 1479 OE1 GLU A 96 1.600 -9.663 -1.069 1.00 0.00 O ATOM 1480 OE2 GLU A 96 1.283 -10.318 -3.143 1.00 0.00 O ATOM 0 H GLU A 96 -1.021 -5.299 -2.224 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.611 -7.529 -2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.168 -7.434 -3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.055 -7.283 -1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.998 -9.539 -1.105 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.111 -9.687 -2.847 1.00 0.00 H new ATOM 1487 N ARG A 97 -1.981 -7.186 0.390 1.00 0.00 N ATOM 1488 CA ARG A 97 -2.468 -7.537 1.718 1.00 0.00 C ATOM 1489 C ARG A 97 -3.986 -7.402 1.795 1.00 0.00 C ATOM 1490 O ARG A 97 -4.677 -8.308 2.262 1.00 0.00 O ATOM 1491 CB ARG A 97 -1.812 -6.646 2.776 1.00 0.00 C ATOM 1492 CG ARG A 97 -0.460 -7.155 3.247 1.00 0.00 C ATOM 1493 CD ARG A 97 -0.608 -8.311 4.224 1.00 0.00 C ATOM 1494 NE ARG A 97 -1.158 -7.877 5.505 1.00 0.00 N ATOM 1495 CZ ARG A 97 -0.426 -7.343 6.477 1.00 0.00 C ATOM 1496 NH1 ARG A 97 0.880 -7.179 6.313 1.00 0.00 N ATOM 1497 NH2 ARG A 97 -0.999 -6.973 7.615 1.00 0.00 N ATOM 0 H ARG A 97 -1.133 -6.620 0.388 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.203 -8.576 1.912 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -1.691 -5.642 2.369 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -2.479 -6.564 3.634 1.00 0.00 H new ATOM 0 HG2 ARG A 97 0.128 -7.477 2.388 1.00 0.00 H new ATOM 0 HG3 ARG A 97 0.090 -6.343 3.723 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -1.257 -9.072 3.790 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.365 -8.776 4.386 1.00 0.00 H new ATOM 0 HE ARG A 97 -2.159 -7.990 5.662 1.00 0.00 H new ATOM 0 HH11 ARG A 97 1.324 -7.463 5.440 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.440 -6.769 7.060 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -2.003 -7.098 7.745 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -0.436 -6.563 8.360 1.00 0.00 H new ATOM 1511 N HIS A 98 -4.498 -6.266 1.333 1.00 0.00 N ATOM 1512 CA HIS A 98 -5.934 -6.013 1.349 1.00 0.00 C ATOM 1513 C HIS A 98 -6.671 -7.005 0.453 1.00 0.00 C ATOM 1514 O HIS A 98 -7.764 -7.461 0.783 1.00 0.00 O ATOM 1515 CB HIS A 98 -6.227 -4.583 0.894 1.00 0.00 C ATOM 1516 CG HIS A 98 -5.912 -3.548 1.930 1.00 0.00 C ATOM 1517 ND1 HIS A 98 -6.738 -2.477 2.199 1.00 0.00 N ATOM 1518 CD2 HIS A 98 -4.856 -3.427 2.768 1.00 0.00 C ATOM 1519 CE1 HIS A 98 -6.202 -1.740 3.155 1.00 0.00 C ATOM 1520 NE2 HIS A 98 -5.060 -2.295 3.519 1.00 0.00 N ATOM 0 H HIS A 98 -3.940 -5.506 0.943 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.288 -6.141 2.372 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.650 -4.372 -0.006 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.280 -4.505 0.623 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.011 -4.096 2.834 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -6.626 -0.837 3.569 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -4.432 -1.941 4.240 1.00 0.00 H new ATOM 1529 N GLY A 99 -6.063 -7.333 -0.683 1.00 0.00 N ATOM 1530 CA GLY A 99 -6.676 -8.268 -1.609 1.00 0.00 C ATOM 1531 C GLY A 99 -7.096 -7.607 -2.906 1.00 0.00 C ATOM 1532 O GLY A 99 -8.151 -7.923 -3.459 1.00 0.00 O ATOM 0 H GLY A 99 -5.157 -6.968 -0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.974 -9.073 -1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.547 -8.723 -1.138 1.00 0.00 H new ATOM 1536 N LEU A 100 -6.272 -6.686 -3.393 1.00 0.00 N ATOM 1537 CA LEU A 100 -6.565 -5.977 -4.634 1.00 0.00 C ATOM 1538 C LEU A 100 -5.698 -6.497 -5.776 1.00 0.00 C ATOM 1539 O LEU A 100 -5.981 -6.244 -6.948 1.00 0.00 O ATOM 1540 CB LEU A 100 -6.340 -4.475 -4.451 1.00 0.00 C ATOM 1541 CG LEU A 100 -6.740 -3.896 -3.094 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -7.087 -2.421 -3.224 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -7.911 -4.672 -2.508 1.00 0.00 C ATOM 0 H LEU A 100 -5.396 -6.413 -2.948 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.610 -6.154 -4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.284 -4.264 -4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.896 -3.948 -5.226 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.892 -3.990 -2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.369 -2.026 -2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.221 -1.875 -3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.919 -2.303 -3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.183 -4.246 -1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.763 -4.610 -3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.627 -5.716 -2.377 1.00 0.00 H new ATOM 1555 N ILE A 101 -4.645 -7.228 -5.427 1.00 0.00 N ATOM 1556 CA ILE A 101 -3.740 -7.787 -6.423 1.00 0.00 C ATOM 1557 C ILE A 101 -3.273 -9.182 -6.021 1.00 0.00 C ATOM 1558 O ILE A 101 -3.047 -9.456 -4.844 1.00 0.00 O ATOM 1559 CB ILE A 101 -2.508 -6.887 -6.633 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -1.748 -6.710 -5.317 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -2.928 -5.536 -7.193 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -0.278 -6.406 -5.504 1.00 0.00 C ATOM 0 H ILE A 101 -4.398 -7.447 -4.462 1.00 0.00 H new ATOM 0 HA ILE A 101 -4.299 -7.848 -7.357 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.845 -7.367 -7.353 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.208 -5.903 -4.747 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.850 -7.618 -4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.046 -4.911 -7.336 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.430 -5.679 -8.150 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.609 -5.049 -6.495 1.00 0.00 H new ATOM 0 HD11 ILE A 101 0.197 -6.293 -4.529 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.196 -7.224 -6.047 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.167 -5.482 -6.071 1.00 0.00 H new ATOM 1574 N ASN A 102 -3.130 -10.060 -7.009 1.00 0.00 N ATOM 1575 CA ASN A 102 -2.688 -11.427 -6.758 1.00 0.00 C ATOM 1576 C ASN A 102 -3.724 -12.191 -5.939 1.00 0.00 C ATOM 1577 O ASN A 102 -3.413 -12.743 -4.884 1.00 0.00 O ATOM 1578 CB ASN A 102 -1.344 -11.425 -6.027 1.00 0.00 C ATOM 1579 CG ASN A 102 -0.287 -10.625 -6.763 1.00 0.00 C ATOM 1580 OD1 ASN A 102 -0.587 -9.913 -7.721 1.00 0.00 O ATOM 1581 ND2 ASN A 102 0.959 -10.740 -6.317 1.00 0.00 N ATOM 0 H ASN A 102 -3.314 -9.849 -7.990 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.570 -11.927 -7.719 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.478 -11.012 -5.027 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -0.999 -12.452 -5.904 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.713 -10.226 -6.772 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.162 -11.342 -5.519 1.00 0.00 H new ATOM 1588 N PHE A 103 -4.957 -12.220 -6.434 1.00 0.00 N ATOM 1589 CA PHE A 103 -6.040 -12.917 -5.749 1.00 0.00 C ATOM 1590 C PHE A 103 -6.641 -13.999 -6.641 1.00 0.00 C ATOM 1591 O PHE A 103 -7.844 -14.255 -6.600 1.00 0.00 O ATOM 1592 CB PHE A 103 -7.126 -11.925 -5.327 1.00 0.00 C ATOM 1593 CG PHE A 103 -7.494 -10.945 -6.404 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -7.911 -11.388 -7.649 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -7.421 -9.581 -6.172 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -8.251 -10.488 -8.642 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -7.760 -8.677 -7.161 1.00 0.00 C ATOM 1598 CZ PHE A 103 -8.174 -9.131 -8.398 1.00 0.00 C ATOM 0 H PHE A 103 -5.231 -11.769 -7.307 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.627 -13.393 -4.860 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -8.017 -12.478 -5.031 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.785 -11.377 -4.449 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.971 -12.448 -7.846 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.096 -9.220 -5.208 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.576 -10.846 -9.608 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.701 -7.616 -6.967 1.00 0.00 H new ATOM 0 HZ PHE A 103 -8.437 -8.426 -9.173 1.00 0.00 H new ATOM 1608 N GLY A 104 -5.794 -14.630 -7.449 1.00 0.00 N ATOM 1609 CA GLY A 104 -6.260 -15.676 -8.340 1.00 0.00 C ATOM 1610 C GLY A 104 -5.139 -16.586 -8.801 1.00 0.00 C ATOM 1611 O GLY A 104 -5.167 -17.791 -8.551 1.00 0.00 O ATOM 0 H GLY A 104 -4.794 -14.435 -7.502 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.020 -16.270 -7.832 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.737 -15.223 -9.209 1.00 0.00 H new ATOM 1615 N ILE A 105 -4.151 -16.010 -9.478 1.00 0.00 N ATOM 1616 CA ILE A 105 -3.017 -16.778 -9.975 1.00 0.00 C ATOM 1617 C ILE A 105 -2.597 -17.848 -8.974 1.00 0.00 C ATOM 1618 O ILE A 105 -2.024 -18.872 -9.349 1.00 0.00 O ATOM 1619 CB ILE A 105 -1.810 -15.869 -10.275 1.00 0.00 C ATOM 1620 CG1 ILE A 105 -1.064 -15.532 -8.982 1.00 0.00 C ATOM 1621 CG2 ILE A 105 -2.265 -14.598 -10.977 1.00 0.00 C ATOM 1622 CD1 ILE A 105 -1.913 -14.797 -7.969 1.00 0.00 C ATOM 0 H ILE A 105 -4.113 -15.014 -9.695 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.340 -17.256 -10.900 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.128 -16.402 -10.938 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.695 -16.455 -8.534 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.192 -14.924 -9.223 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.401 -13.966 -11.182 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.756 -14.856 -11.915 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.964 -14.060 -10.337 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.320 -14.591 -7.078 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.261 -13.858 -8.399 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.771 -15.412 -7.699 1.00 0.00 H new