USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=15 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 93:sc= -0.571 USER MOD Set 1.2: A 92 HIS : no HD1:sc= -2.25! C(o=-2.8!,f=-4.5!) USER MOD Set 2.1: A 24 HIS : no HD1:sc= -4.6! C(o=-6!,f=-12!) USER MOD Set 2.2: A 54 ASN : amide:sc= -1.4! X(o=-6!,f=-6.2) USER MOD Set 3.1: A 43 GLN : amide:sc= -0.557 X(o=-0.55,f=-0.37) USER MOD Set 3.2: A 46 GLN : amide:sc= 0.00373 X(o=-0.55,f=-0.49) USER MOD Set 4.1: A 19 GLN : amide:sc= -2.56! C(o=-1.4!,f=-5.6!) USER MOD Set 4.2: A 20 SER OG : rot 75:sc= 1.12 USER MOD Single : A 27 MET CE :methyl 179:sc= -0.522 (180deg=-0.522) USER MOD Single : A 28 THR OG1 : rot -82:sc= 1.25 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -3.06 K(o=-3.1,f=-1.3) USER MOD Single : A 34 CYS SG : rot 150:sc= -0.0181 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.159 K(o=-0.16,f=-2.3!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 94:sc= 0.61 USER MOD Single : A 58 GLN : amide:sc=-0.00128 X(o=-0.0013,f=-0.043) USER MOD Single : A 63 ASN : amide:sc= -4.56 X(o=-4.6,f=-4.9!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -1.82! 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 X(o=0,f=-0.028) USER MOD Single : A 76 GLN : amide:sc= -7.11! C(o=-7.1!,f=-5.1!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -7.06! C(o=-7.1!,f=-5.9!) 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= -0.0645 K(o=-0.064,f=-0.64) USER MOD Single : A 93 SER OG : rot -88:sc= -2.6 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= -3.05! K(o=-3.1!,f=-1.2) USER MOD Single : A 102 ASN : amide:sc= -3.95! C(o=-4!,f=-7.2!) USER MOD ----------------------------------------------------------------- ATOM 128 N VAL A 13 -2.998 4.727 -17.266 1.00 0.00 N ATOM 129 CA VAL A 13 -2.627 4.488 -15.876 1.00 0.00 C ATOM 130 C VAL A 13 -3.772 4.842 -14.933 1.00 0.00 C ATOM 131 O VAL A 13 -4.249 3.997 -14.176 1.00 0.00 O ATOM 132 CB VAL A 13 -1.380 5.301 -15.480 1.00 0.00 C ATOM 133 CG1 VAL A 13 -1.051 5.091 -14.010 1.00 0.00 C ATOM 134 CG2 VAL A 13 -0.197 4.923 -16.359 1.00 0.00 C ATOM 0 HA VAL A 13 -2.402 3.425 -15.787 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.593 6.359 -15.632 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.167 5.673 -13.748 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.893 5.415 -13.399 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.856 4.034 -13.828 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.675 5.507 -16.066 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.020 3.861 -16.240 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.438 5.130 -17.402 1.00 0.00 H new ATOM 144 N GLU A 14 -4.207 6.097 -14.985 1.00 0.00 N ATOM 145 CA GLU A 14 -5.296 6.563 -14.135 1.00 0.00 C ATOM 146 C GLU A 14 -6.495 5.622 -14.221 1.00 0.00 C ATOM 147 O GLU A 14 -7.035 5.192 -13.203 1.00 0.00 O ATOM 148 CB GLU A 14 -5.716 7.979 -14.535 1.00 0.00 C ATOM 149 CG GLU A 14 -4.743 9.053 -14.079 1.00 0.00 C ATOM 150 CD GLU A 14 -5.339 10.446 -14.146 1.00 0.00 C ATOM 151 OE1 GLU A 14 -6.524 10.602 -13.780 1.00 0.00 O ATOM 152 OE2 GLU A 14 -4.623 11.379 -14.563 1.00 0.00 O ATOM 0 H GLU A 14 -3.822 6.809 -15.606 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.938 6.575 -13.105 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.815 8.027 -15.619 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.700 8.190 -14.115 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.431 8.844 -13.056 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.848 9.014 -14.700 1.00 0.00 H new ATOM 159 N GLY A 15 -6.905 5.307 -15.446 1.00 0.00 N ATOM 160 CA GLY A 15 -8.037 4.420 -15.644 1.00 0.00 C ATOM 161 C GLY A 15 -8.084 3.303 -14.621 1.00 0.00 C ATOM 162 O GLY A 15 -9.154 2.952 -14.124 1.00 0.00 O ATOM 0 H GLY A 15 -6.474 5.650 -16.304 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.960 4.997 -15.590 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.987 3.990 -16.645 1.00 0.00 H new ATOM 166 N ALA A 16 -6.921 2.742 -14.305 1.00 0.00 N ATOM 167 CA ALA A 16 -6.834 1.658 -13.334 1.00 0.00 C ATOM 168 C ALA A 16 -7.670 1.963 -12.096 1.00 0.00 C ATOM 169 O ALA A 16 -8.495 1.151 -11.677 1.00 0.00 O ATOM 170 CB ALA A 16 -5.383 1.411 -12.947 1.00 0.00 C ATOM 0 H ALA A 16 -6.026 3.020 -14.707 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.233 0.755 -13.796 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.333 0.599 -12.221 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.811 1.140 -13.834 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.964 2.316 -12.508 1.00 0.00 H new ATOM 176 N ALA A 17 -7.449 3.137 -11.513 1.00 0.00 N ATOM 177 CA ALA A 17 -8.183 3.549 -10.323 1.00 0.00 C ATOM 178 C ALA A 17 -9.658 3.176 -10.431 1.00 0.00 C ATOM 179 O ALA A 17 -10.286 2.795 -9.443 1.00 0.00 O ATOM 180 CB ALA A 17 -8.030 5.046 -10.100 1.00 0.00 C ATOM 0 H ALA A 17 -6.768 3.819 -11.846 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.763 3.021 -9.467 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.583 5.339 -9.208 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.975 5.288 -9.969 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.421 5.584 -10.963 1.00 0.00 H new ATOM 186 N PHE A 18 -10.205 3.290 -11.636 1.00 0.00 N ATOM 187 CA PHE A 18 -11.608 2.967 -11.873 1.00 0.00 C ATOM 188 C PHE A 18 -12.042 1.777 -11.023 1.00 0.00 C ATOM 189 O PHE A 18 -13.205 1.671 -10.634 1.00 0.00 O ATOM 190 CB PHE A 18 -11.840 2.662 -13.354 1.00 0.00 C ATOM 191 CG PHE A 18 -13.185 2.058 -13.638 1.00 0.00 C ATOM 192 CD1 PHE A 18 -14.347 2.722 -13.280 1.00 0.00 C ATOM 193 CD2 PHE A 18 -13.288 0.825 -14.263 1.00 0.00 C ATOM 194 CE1 PHE A 18 -15.586 2.167 -13.540 1.00 0.00 C ATOM 195 CE2 PHE A 18 -14.524 0.266 -14.525 1.00 0.00 C ATOM 196 CZ PHE A 18 -15.675 0.938 -14.164 1.00 0.00 C ATOM 0 H PHE A 18 -9.699 3.604 -12.464 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.208 3.832 -11.589 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -11.736 3.583 -13.927 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -11.064 1.981 -13.702 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -14.284 3.684 -12.793 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -12.391 0.295 -14.549 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -16.484 2.694 -13.255 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -14.590 -0.696 -15.012 1.00 0.00 H new ATOM 0 HZ PHE A 18 -16.642 0.504 -14.369 1.00 0.00 H new ATOM 206 N GLN A 19 -11.099 0.884 -10.739 1.00 0.00 N ATOM 207 CA GLN A 19 -11.385 -0.299 -9.937 1.00 0.00 C ATOM 208 C GLN A 19 -11.291 0.017 -8.448 1.00 0.00 C ATOM 209 O GLN A 19 -10.921 -0.838 -7.643 1.00 0.00 O ATOM 210 CB GLN A 19 -10.417 -1.429 -10.292 1.00 0.00 C ATOM 211 CG GLN A 19 -8.981 -1.152 -9.877 1.00 0.00 C ATOM 212 CD GLN A 19 -8.665 -1.671 -8.488 1.00 0.00 C ATOM 213 OE1 GLN A 19 -8.217 -0.921 -7.620 1.00 0.00 O ATOM 214 NE2 GLN A 19 -8.898 -2.960 -8.270 1.00 0.00 N ATOM 0 H GLN A 19 -10.131 0.958 -11.052 1.00 0.00 H new ATOM 0 HA GLN A 19 -12.403 -0.619 -10.159 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.754 -2.349 -9.814 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.449 -1.599 -11.368 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.304 -1.613 -10.596 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.798 -0.078 -9.910 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.270 -3.545 -9.018 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.705 -3.365 -7.354 1.00 0.00 H new ATOM 223 N SER A 20 -11.627 1.252 -8.088 1.00 0.00 N ATOM 224 CA SER A 20 -11.576 1.683 -6.695 1.00 0.00 C ATOM 225 C SER A 20 -12.513 2.863 -6.457 1.00 0.00 C ATOM 226 O SER A 20 -12.658 3.736 -7.312 1.00 0.00 O ATOM 227 CB SER A 20 -10.146 2.067 -6.310 1.00 0.00 C ATOM 228 OG SER A 20 -9.357 0.915 -6.067 1.00 0.00 O ATOM 0 H SER A 20 -11.937 1.971 -8.741 1.00 0.00 H new ATOM 0 HA SER A 20 -11.902 0.851 -6.071 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.697 2.657 -7.109 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.162 2.695 -5.419 1.00 0.00 H new ATOM 0 HG SER A 20 -9.126 0.491 -6.920 1.00 0.00 H new ATOM 234 N ARG A 21 -13.147 2.881 -5.289 1.00 0.00 N ATOM 235 CA ARG A 21 -14.071 3.952 -4.938 1.00 0.00 C ATOM 236 C ARG A 21 -13.320 5.154 -4.373 1.00 0.00 C ATOM 237 O ARG A 21 -13.871 5.933 -3.593 1.00 0.00 O ATOM 238 CB ARG A 21 -15.099 3.454 -3.919 1.00 0.00 C ATOM 239 CG ARG A 21 -14.477 2.915 -2.641 1.00 0.00 C ATOM 240 CD ARG A 21 -14.328 4.006 -1.592 1.00 0.00 C ATOM 241 NE ARG A 21 -14.105 3.455 -0.258 1.00 0.00 N ATOM 242 CZ ARG A 21 -12.913 3.074 0.190 1.00 0.00 C ATOM 243 NH1 ARG A 21 -11.843 3.185 -0.585 1.00 0.00 N ATOM 244 NH2 ARG A 21 -12.790 2.582 1.416 1.00 0.00 N ATOM 0 H ARG A 21 -13.037 2.166 -4.570 1.00 0.00 H new ATOM 0 HA ARG A 21 -14.590 4.263 -5.845 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.775 4.272 -3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.703 2.671 -4.378 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.096 2.110 -2.245 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.500 2.486 -2.863 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.495 4.655 -1.860 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.225 4.626 -1.583 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.908 3.357 0.364 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.933 3.564 -1.528 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.930 2.892 -0.238 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.611 2.496 2.016 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.875 2.290 1.759 1.00 0.00 H new ATOM 258 N LEU A 22 -12.061 5.298 -4.770 1.00 0.00 N ATOM 259 CA LEU A 22 -11.234 6.406 -4.303 1.00 0.00 C ATOM 260 C LEU A 22 -10.611 7.154 -5.477 1.00 0.00 C ATOM 261 O LEU A 22 -10.272 6.570 -6.507 1.00 0.00 O ATOM 262 CB LEU A 22 -10.135 5.890 -3.372 1.00 0.00 C ATOM 263 CG LEU A 22 -9.085 4.980 -4.012 1.00 0.00 C ATOM 264 CD1 LEU A 22 -7.901 5.797 -4.505 1.00 0.00 C ATOM 265 CD2 LEU A 22 -8.628 3.917 -3.025 1.00 0.00 C ATOM 0 H LEU A 22 -11.590 4.662 -5.414 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.873 7.097 -3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.625 6.748 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.606 5.347 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.538 4.481 -4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.164 5.133 -4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.241 6.520 -5.246 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.448 6.324 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.881 3.279 -3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.193 4.397 -2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.482 3.312 -2.721 1.00 0.00 H new ATOM 277 N PRO A 23 -10.455 8.477 -5.321 1.00 0.00 N ATOM 278 CA PRO A 23 -9.870 9.333 -6.357 1.00 0.00 C ATOM 279 C PRO A 23 -8.378 9.080 -6.544 1.00 0.00 C ATOM 280 O PRO A 23 -7.674 8.733 -5.596 1.00 0.00 O ATOM 281 CB PRO A 23 -10.110 10.748 -5.826 1.00 0.00 C ATOM 282 CG PRO A 23 -10.209 10.586 -4.348 1.00 0.00 C ATOM 283 CD PRO A 23 -10.837 9.239 -4.120 1.00 0.00 C ATOM 0 HA PRO A 23 -10.314 9.149 -7.335 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -9.293 11.417 -6.097 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.023 11.176 -6.239 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -9.225 10.642 -3.883 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.815 11.378 -3.908 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.462 8.770 -3.210 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.920 9.312 -4.018 1.00 0.00 H new ATOM 291 N HIS A 24 -7.902 9.255 -7.773 1.00 0.00 N ATOM 292 CA HIS A 24 -6.492 9.046 -8.084 1.00 0.00 C ATOM 293 C HIS A 24 -5.726 10.365 -8.043 1.00 0.00 C ATOM 294 O HIS A 24 -4.497 10.378 -7.985 1.00 0.00 O ATOM 295 CB HIS A 24 -6.342 8.398 -9.460 1.00 0.00 C ATOM 296 CG HIS A 24 -5.041 8.712 -10.132 1.00 0.00 C ATOM 297 ND1 HIS A 24 -3.999 7.813 -10.213 1.00 0.00 N ATOM 298 CD2 HIS A 24 -4.617 9.835 -10.758 1.00 0.00 C ATOM 299 CE1 HIS A 24 -2.989 8.369 -10.858 1.00 0.00 C ATOM 300 NE2 HIS A 24 -3.339 9.596 -11.200 1.00 0.00 N ATOM 0 H HIS A 24 -8.472 9.541 -8.569 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.074 8.379 -7.330 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.436 7.317 -9.355 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.161 8.729 -10.099 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.179 10.748 -10.886 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.039 7.900 -11.070 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -2.755 10.259 -11.710 1.00 0.00 H new ATOM 309 N ASP A 25 -6.461 11.471 -8.075 1.00 0.00 N ATOM 310 CA ASP A 25 -5.851 12.796 -8.042 1.00 0.00 C ATOM 311 C ASP A 25 -5.564 13.226 -6.607 1.00 0.00 C ATOM 312 O ASP A 25 -4.659 14.022 -6.356 1.00 0.00 O ATOM 313 CB ASP A 25 -6.763 13.818 -8.722 1.00 0.00 C ATOM 314 CG ASP A 25 -7.367 13.290 -10.008 1.00 0.00 C ATOM 315 OD1 ASP A 25 -6.601 12.804 -10.867 1.00 0.00 O ATOM 316 OD2 ASP A 25 -8.604 13.364 -10.156 1.00 0.00 O ATOM 0 H ASP A 25 -7.480 11.477 -8.124 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.906 12.748 -8.583 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.563 14.099 -8.037 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.194 14.723 -8.936 1.00 0.00 H new ATOM 321 N ARG A 26 -6.341 12.695 -5.669 1.00 0.00 N ATOM 322 CA ARG A 26 -6.172 13.026 -4.259 1.00 0.00 C ATOM 323 C ARG A 26 -6.186 11.765 -3.399 1.00 0.00 C ATOM 324 O ARG A 26 -6.455 10.670 -3.891 1.00 0.00 O ATOM 325 CB ARG A 26 -7.276 13.980 -3.801 1.00 0.00 C ATOM 326 CG ARG A 26 -8.659 13.349 -3.785 1.00 0.00 C ATOM 327 CD ARG A 26 -9.029 12.855 -2.396 1.00 0.00 C ATOM 328 NE ARG A 26 -10.468 12.929 -2.153 1.00 0.00 N ATOM 329 CZ ARG A 26 -11.008 12.961 -0.940 1.00 0.00 C ATOM 330 NH1 ARG A 26 -10.233 12.926 0.135 1.00 0.00 N ATOM 331 NH2 ARG A 26 -12.326 13.028 -0.801 1.00 0.00 N ATOM 0 H ARG A 26 -7.094 12.034 -5.860 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.206 13.516 -4.140 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -7.040 14.342 -2.800 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -7.290 14.849 -4.459 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.397 14.078 -4.122 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.689 12.517 -4.488 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.694 11.825 -2.277 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.504 13.450 -1.648 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.092 12.958 -2.959 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.220 12.874 0.032 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.650 12.951 1.065 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.925 13.055 -1.626 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.740 13.053 0.131 1.00 0.00 H new ATOM 345 N MET A 27 -5.893 11.929 -2.113 1.00 0.00 N ATOM 346 CA MET A 27 -5.873 10.805 -1.185 1.00 0.00 C ATOM 347 C MET A 27 -7.161 10.749 -0.371 1.00 0.00 C ATOM 348 O MET A 27 -7.880 11.742 -0.256 1.00 0.00 O ATOM 349 CB MET A 27 -4.668 10.910 -0.249 1.00 0.00 C ATOM 350 CG MET A 27 -3.344 10.591 -0.924 1.00 0.00 C ATOM 351 SD MET A 27 -2.874 8.859 -0.747 1.00 0.00 S ATOM 352 CE MET A 27 -2.304 8.835 0.950 1.00 0.00 C ATOM 0 H MET A 27 -5.666 12.829 -1.690 1.00 0.00 H new ATOM 0 HA MET A 27 -5.792 9.887 -1.767 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.624 11.919 0.161 1.00 0.00 H new ATOM 0 HB3 MET A 27 -4.811 10.231 0.591 1.00 0.00 H new ATOM 0 HG2 MET A 27 -3.412 10.839 -1.983 1.00 0.00 H new ATOM 0 HG3 MET A 27 -2.563 11.221 -0.499 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.995 7.824 1.216 1.00 0.00 H new ATOM 0 HE2 MET A 27 -1.458 9.514 1.059 1.00 0.00 H new ATOM 0 HE3 MET A 27 -3.112 9.153 1.610 1.00 0.00 H new ATOM 362 N THR A 28 -7.449 9.580 0.194 1.00 0.00 N ATOM 363 CA THR A 28 -8.651 9.394 0.996 1.00 0.00 C ATOM 364 C THR A 28 -8.301 9.059 2.442 1.00 0.00 C ATOM 365 O THR A 28 -7.136 8.842 2.774 1.00 0.00 O ATOM 366 CB THR A 28 -9.542 8.276 0.424 1.00 0.00 C ATOM 367 OG1 THR A 28 -8.750 7.119 0.133 1.00 0.00 O ATOM 368 CG2 THR A 28 -10.250 8.742 -0.840 1.00 0.00 C ATOM 0 H THR A 28 -6.865 8.748 0.110 1.00 0.00 H new ATOM 0 HA THR A 28 -9.199 10.336 0.966 1.00 0.00 H new ATOM 0 HB THR A 28 -10.294 8.023 1.171 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.317 7.230 -0.739 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.874 7.936 -1.226 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.874 9.605 -0.610 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.510 9.019 -1.590 1.00 0.00 H new ATOM 376 N SER A 29 -9.317 9.018 3.298 1.00 0.00 N ATOM 377 CA SER A 29 -9.116 8.712 4.709 1.00 0.00 C ATOM 378 C SER A 29 -8.356 7.400 4.878 1.00 0.00 C ATOM 379 O SER A 29 -7.548 7.252 5.794 1.00 0.00 O ATOM 380 CB SER A 29 -10.462 8.632 5.432 1.00 0.00 C ATOM 381 OG SER A 29 -10.913 9.919 5.815 1.00 0.00 O ATOM 0 H SER A 29 -10.288 9.193 3.039 1.00 0.00 H new ATOM 0 HA SER A 29 -8.523 9.514 5.148 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.200 8.163 4.781 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.367 7.999 6.314 1.00 0.00 H new ATOM 0 HG SER A 29 -11.776 9.840 6.273 1.00 0.00 H new ATOM 387 N GLN A 30 -8.622 6.451 3.986 1.00 0.00 N ATOM 388 CA GLN A 30 -7.964 5.150 4.036 1.00 0.00 C ATOM 389 C GLN A 30 -6.482 5.277 3.700 1.00 0.00 C ATOM 390 O GLN A 30 -5.621 4.993 4.532 1.00 0.00 O ATOM 391 CB GLN A 30 -8.638 4.177 3.068 1.00 0.00 C ATOM 392 CG GLN A 30 -8.572 2.727 3.519 1.00 0.00 C ATOM 393 CD GLN A 30 -7.241 2.373 4.153 1.00 0.00 C ATOM 394 OE1 GLN A 30 -7.173 2.045 5.338 1.00 0.00 O ATOM 395 NE2 GLN A 30 -6.174 2.437 3.365 1.00 0.00 N ATOM 0 H GLN A 30 -9.288 6.558 3.221 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.055 4.763 5.051 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.683 4.464 2.946 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.167 4.266 2.089 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.373 2.536 4.233 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.747 2.076 2.663 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.277 2.714 2.389 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.252 2.209 3.736 1.00 0.00 H new ATOM 404 N GLU A 31 -6.193 5.704 2.474 1.00 0.00 N ATOM 405 CA GLU A 31 -4.814 5.866 2.028 1.00 0.00 C ATOM 406 C GLU A 31 -4.025 6.733 3.005 1.00 0.00 C ATOM 407 O GLU A 31 -2.843 6.492 3.249 1.00 0.00 O ATOM 408 CB GLU A 31 -4.777 6.490 0.632 1.00 0.00 C ATOM 409 CG GLU A 31 -5.428 5.628 -0.437 1.00 0.00 C ATOM 410 CD GLU A 31 -5.847 6.427 -1.656 1.00 0.00 C ATOM 411 OE1 GLU A 31 -6.775 7.253 -1.532 1.00 0.00 O ATOM 412 OE2 GLU A 31 -5.247 6.227 -2.732 1.00 0.00 O ATOM 0 H GLU A 31 -6.894 5.944 1.773 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.353 4.879 1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.278 7.457 0.662 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.740 6.677 0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.732 4.846 -0.741 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.302 5.131 -0.015 1.00 0.00 H new ATOM 419 N ALA A 32 -4.688 7.742 3.561 1.00 0.00 N ATOM 420 CA ALA A 32 -4.050 8.644 4.512 1.00 0.00 C ATOM 421 C ALA A 32 -3.628 7.900 5.775 1.00 0.00 C ATOM 422 O ALA A 32 -2.582 8.187 6.356 1.00 0.00 O ATOM 423 CB ALA A 32 -4.985 9.792 4.860 1.00 0.00 C ATOM 0 H ALA A 32 -5.667 7.955 3.369 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.153 9.051 4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.495 10.457 5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.233 10.347 3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.898 9.396 5.304 1.00 0.00 H new ATOM 429 N ALA A 33 -4.451 6.945 6.196 1.00 0.00 N ATOM 430 CA ALA A 33 -4.162 6.160 7.390 1.00 0.00 C ATOM 431 C ALA A 33 -3.005 5.197 7.147 1.00 0.00 C ATOM 432 O ALA A 33 -2.137 5.026 8.004 1.00 0.00 O ATOM 433 CB ALA A 33 -5.402 5.397 7.832 1.00 0.00 C ATOM 0 H ALA A 33 -5.323 6.696 5.728 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.868 6.846 8.184 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.172 4.815 8.725 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.203 6.102 8.055 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.720 4.727 7.034 1.00 0.00 H new ATOM 439 N CYS A 34 -2.999 4.570 5.976 1.00 0.00 N ATOM 440 CA CYS A 34 -1.948 3.622 5.622 1.00 0.00 C ATOM 441 C CYS A 34 -0.649 4.350 5.290 1.00 0.00 C ATOM 442 O CYS A 34 0.441 3.869 5.600 1.00 0.00 O ATOM 443 CB CYS A 34 -2.385 2.765 4.433 1.00 0.00 C ATOM 444 SG CYS A 34 -1.670 1.105 4.417 1.00 0.00 S ATOM 0 H CYS A 34 -3.709 4.701 5.256 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.771 2.975 6.481 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.472 2.681 4.440 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.110 3.276 3.510 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.495 0.283 3.840 1.00 0.00 H new ATOM 450 N PHE A 35 -0.773 5.511 4.655 1.00 0.00 N ATOM 451 CA PHE A 35 0.391 6.304 4.278 1.00 0.00 C ATOM 452 C PHE A 35 0.282 7.724 4.824 1.00 0.00 C ATOM 453 O PHE A 35 -0.199 8.639 4.153 1.00 0.00 O ATOM 454 CB PHE A 35 0.538 6.340 2.755 1.00 0.00 C ATOM 455 CG PHE A 35 0.567 4.978 2.123 1.00 0.00 C ATOM 456 CD1 PHE A 35 -0.609 4.284 1.888 1.00 0.00 C ATOM 457 CD2 PHE A 35 1.770 4.392 1.763 1.00 0.00 C ATOM 458 CE1 PHE A 35 -0.585 3.030 1.308 1.00 0.00 C ATOM 459 CE2 PHE A 35 1.800 3.139 1.181 1.00 0.00 C ATOM 460 CZ PHE A 35 0.621 2.457 0.952 1.00 0.00 C ATOM 0 H PHE A 35 -1.668 5.923 4.391 1.00 0.00 H new ATOM 0 HA PHE A 35 1.275 5.835 4.710 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.289 6.911 2.332 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.455 6.870 2.499 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.555 4.728 2.161 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.695 4.921 1.939 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.508 2.498 1.133 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.744 2.693 0.905 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.642 1.478 0.496 1.00 0.00 H new ATOM 470 N PRO A 36 0.737 7.915 6.071 1.00 0.00 N ATOM 471 CA PRO A 36 0.701 9.222 6.735 1.00 0.00 C ATOM 472 C PRO A 36 1.684 10.212 6.120 1.00 0.00 C ATOM 473 O PRO A 36 1.356 11.381 5.916 1.00 0.00 O ATOM 474 CB PRO A 36 1.101 8.897 8.177 1.00 0.00 C ATOM 475 CG PRO A 36 1.907 7.648 8.075 1.00 0.00 C ATOM 476 CD PRO A 36 1.322 6.871 6.928 1.00 0.00 C ATOM 0 HA PRO A 36 -0.275 9.699 6.645 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.681 9.707 8.619 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.224 8.752 8.808 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.958 7.875 7.897 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.857 7.075 9.001 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.085 6.299 6.400 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.568 6.161 7.267 1.00 0.00 H new ATOM 484 N ASP A 37 2.889 9.737 5.827 1.00 0.00 N ATOM 485 CA ASP A 37 3.920 10.581 5.233 1.00 0.00 C ATOM 486 C ASP A 37 3.458 11.139 3.890 1.00 0.00 C ATOM 487 O ASP A 37 3.752 12.285 3.549 1.00 0.00 O ATOM 488 CB ASP A 37 5.216 9.790 5.052 1.00 0.00 C ATOM 489 CG ASP A 37 6.442 10.682 5.039 1.00 0.00 C ATOM 490 OD1 ASP A 37 6.384 11.779 5.634 1.00 0.00 O ATOM 491 OD2 ASP A 37 7.459 10.282 4.435 1.00 0.00 O ATOM 0 H ASP A 37 3.176 8.772 5.991 1.00 0.00 H new ATOM 0 HA ASP A 37 4.105 11.416 5.909 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.309 9.061 5.857 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.169 9.229 4.119 1.00 0.00 H new ATOM 496 N ILE A 38 2.736 10.320 3.132 1.00 0.00 N ATOM 497 CA ILE A 38 2.235 10.732 1.827 1.00 0.00 C ATOM 498 C ILE A 38 1.193 11.838 1.962 1.00 0.00 C ATOM 499 O ILE A 38 1.317 12.899 1.350 1.00 0.00 O ATOM 500 CB ILE A 38 1.613 9.547 1.063 1.00 0.00 C ATOM 501 CG1 ILE A 38 2.647 8.436 0.875 1.00 0.00 C ATOM 502 CG2 ILE A 38 1.073 10.009 -0.282 1.00 0.00 C ATOM 503 CD1 ILE A 38 3.898 8.889 0.155 1.00 0.00 C ATOM 0 H ILE A 38 2.485 9.368 3.399 1.00 0.00 H new ATOM 0 HA ILE A 38 3.090 11.108 1.265 1.00 0.00 H new ATOM 0 HB ILE A 38 0.783 9.151 1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.924 8.039 1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.192 7.618 0.316 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.637 9.161 -0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.309 10.771 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.886 10.427 -0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.586 8.049 0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.634 9.259 -0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.377 9.686 0.724 1.00 0.00 H new ATOM 515 N ILE A 39 0.168 11.582 2.767 1.00 0.00 N ATOM 516 CA ILE A 39 -0.894 12.557 2.985 1.00 0.00 C ATOM 517 C ILE A 39 -0.344 13.841 3.595 1.00 0.00 C ATOM 518 O ILE A 39 -0.816 14.937 3.291 1.00 0.00 O ATOM 519 CB ILE A 39 -1.994 11.995 3.905 1.00 0.00 C ATOM 520 CG1 ILE A 39 -3.136 13.004 4.045 1.00 0.00 C ATOM 521 CG2 ILE A 39 -1.417 11.647 5.269 1.00 0.00 C ATOM 522 CD1 ILE A 39 -3.943 13.182 2.778 1.00 0.00 C ATOM 0 H ILE A 39 0.050 10.708 3.279 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.326 12.777 2.009 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.392 11.084 3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.800 12.680 4.847 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.724 13.968 4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.207 11.251 5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.634 10.897 5.152 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.996 12.543 5.725 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.735 13.911 2.950 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.292 13.536 1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.385 12.228 2.491 1.00 0.00 H new ATOM 534 N SER A 40 0.659 13.699 4.456 1.00 0.00 N ATOM 535 CA SER A 40 1.273 14.849 5.111 1.00 0.00 C ATOM 536 C SER A 40 2.463 15.361 4.305 1.00 0.00 C ATOM 537 O SER A 40 3.458 15.816 4.868 1.00 0.00 O ATOM 538 CB SER A 40 1.722 14.477 6.525 1.00 0.00 C ATOM 539 OG SER A 40 1.717 15.610 7.376 1.00 0.00 O ATOM 0 H SER A 40 1.064 12.800 4.716 1.00 0.00 H new ATOM 0 HA SER A 40 0.528 15.643 5.171 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.061 13.711 6.930 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.724 14.048 6.491 1.00 0.00 H new ATOM 0 HG SER A 40 2.006 15.346 8.274 1.00 0.00 H new ATOM 545 N GLY A 41 2.353 15.282 2.983 1.00 0.00 N ATOM 546 CA GLY A 41 3.426 15.741 2.120 1.00 0.00 C ATOM 547 C GLY A 41 2.940 16.692 1.045 1.00 0.00 C ATOM 548 O GLY A 41 1.748 16.983 0.936 1.00 0.00 O ATOM 0 H GLY A 41 1.540 14.908 2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.186 16.238 2.723 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.904 14.881 1.651 1.00 0.00 H new ATOM 552 N PRO A 42 3.876 17.196 0.227 1.00 0.00 N ATOM 553 CA PRO A 42 3.560 18.129 -0.859 1.00 0.00 C ATOM 554 C PRO A 42 2.791 17.460 -1.992 1.00 0.00 C ATOM 555 O PRO A 42 2.939 16.262 -2.232 1.00 0.00 O ATOM 556 CB PRO A 42 4.938 18.587 -1.345 1.00 0.00 C ATOM 557 CG PRO A 42 5.858 17.475 -0.976 1.00 0.00 C ATOM 558 CD PRO A 42 5.315 16.893 0.299 1.00 0.00 C ATOM 0 HA PRO A 42 2.919 18.944 -0.523 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.940 18.762 -2.421 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.235 19.521 -0.869 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.896 16.722 -1.763 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.875 17.841 -0.836 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.497 15.820 0.360 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.777 17.346 1.176 1.00 0.00 H new ATOM 566 N GLN A 43 1.969 18.241 -2.686 1.00 0.00 N ATOM 567 CA GLN A 43 1.177 17.723 -3.794 1.00 0.00 C ATOM 568 C GLN A 43 1.985 16.731 -4.624 1.00 0.00 C ATOM 569 O GLN A 43 1.456 15.720 -5.087 1.00 0.00 O ATOM 570 CB GLN A 43 0.690 18.870 -4.681 1.00 0.00 C ATOM 571 CG GLN A 43 -0.392 18.460 -5.667 1.00 0.00 C ATOM 572 CD GLN A 43 -1.566 17.776 -4.994 1.00 0.00 C ATOM 573 OE1 GLN A 43 -2.539 18.424 -4.607 1.00 0.00 O ATOM 574 NE2 GLN A 43 -1.481 16.458 -4.851 1.00 0.00 N ATOM 0 H GLN A 43 1.835 19.235 -2.500 1.00 0.00 H new ATOM 0 HA GLN A 43 0.314 17.203 -3.378 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.308 19.671 -4.048 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.538 19.276 -5.233 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.747 19.343 -6.199 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.036 17.789 -6.412 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -0.656 15.961 -5.186 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -2.241 15.943 -4.406 1.00 0.00 H new ATOM 583 N GLN A 44 3.267 17.026 -4.807 1.00 0.00 N ATOM 584 CA GLN A 44 4.147 16.160 -5.583 1.00 0.00 C ATOM 585 C GLN A 44 4.172 14.750 -5.002 1.00 0.00 C ATOM 586 O GLN A 44 3.788 13.786 -5.666 1.00 0.00 O ATOM 587 CB GLN A 44 5.564 16.736 -5.616 1.00 0.00 C ATOM 588 CG GLN A 44 6.580 15.812 -6.269 1.00 0.00 C ATOM 589 CD GLN A 44 7.720 16.568 -6.922 1.00 0.00 C ATOM 590 OE1 GLN A 44 7.623 17.771 -7.167 1.00 0.00 O ATOM 591 NE2 GLN A 44 8.810 15.865 -7.209 1.00 0.00 N ATOM 0 H GLN A 44 3.720 17.858 -4.429 1.00 0.00 H new ATOM 0 HA GLN A 44 3.760 16.108 -6.601 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.550 17.684 -6.153 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.884 16.952 -4.597 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.983 15.132 -5.518 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.079 15.199 -7.018 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.848 14.870 -6.989 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.609 16.320 -7.650 1.00 0.00 H new ATOM 600 N THR A 45 4.627 14.635 -3.758 1.00 0.00 N ATOM 601 CA THR A 45 4.704 13.343 -3.089 1.00 0.00 C ATOM 602 C THR A 45 3.387 12.584 -3.206 1.00 0.00 C ATOM 603 O THR A 45 3.365 11.420 -3.605 1.00 0.00 O ATOM 604 CB THR A 45 5.060 13.502 -1.599 1.00 0.00 C ATOM 605 OG1 THR A 45 6.427 13.903 -1.462 1.00 0.00 O ATOM 606 CG2 THR A 45 4.830 12.201 -0.845 1.00 0.00 C ATOM 0 H THR A 45 4.948 15.422 -3.194 1.00 0.00 H new ATOM 0 HA THR A 45 5.492 12.777 -3.585 1.00 0.00 H new ATOM 0 HB THR A 45 4.412 14.269 -1.174 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.645 14.004 -0.512 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.088 12.338 0.205 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.782 11.914 -0.926 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.455 11.417 -1.273 1.00 0.00 H new ATOM 614 N GLN A 46 2.291 13.251 -2.857 1.00 0.00 N ATOM 615 CA GLN A 46 0.970 12.637 -2.924 1.00 0.00 C ATOM 616 C GLN A 46 0.757 11.949 -4.268 1.00 0.00 C ATOM 617 O GLN A 46 0.325 10.797 -4.327 1.00 0.00 O ATOM 618 CB GLN A 46 -0.116 13.690 -2.699 1.00 0.00 C ATOM 619 CG GLN A 46 -0.198 14.183 -1.264 1.00 0.00 C ATOM 620 CD GLN A 46 -1.346 15.148 -1.042 1.00 0.00 C ATOM 621 OE1 GLN A 46 -1.873 15.732 -1.990 1.00 0.00 O ATOM 622 NE2 GLN A 46 -1.741 15.321 0.214 1.00 0.00 N ATOM 0 H GLN A 46 2.292 14.216 -2.525 1.00 0.00 H new ATOM 0 HA GLN A 46 0.906 11.885 -2.138 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.072 14.539 -3.356 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.081 13.272 -2.986 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.312 13.329 -0.597 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.739 14.672 -0.998 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.276 14.817 0.969 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.509 15.958 0.424 1.00 0.00 H new ATOM 631 N LYS A 47 1.063 12.661 -5.347 1.00 0.00 N ATOM 632 CA LYS A 47 0.907 12.120 -6.692 1.00 0.00 C ATOM 633 C LYS A 47 1.844 10.937 -6.915 1.00 0.00 C ATOM 634 O LYS A 47 1.456 9.926 -7.501 1.00 0.00 O ATOM 635 CB LYS A 47 1.180 13.205 -7.736 1.00 0.00 C ATOM 636 CG LYS A 47 0.242 14.395 -7.636 1.00 0.00 C ATOM 637 CD LYS A 47 0.805 15.610 -8.353 1.00 0.00 C ATOM 638 CE LYS A 47 0.633 15.498 -9.860 1.00 0.00 C ATOM 639 NZ LYS A 47 -0.725 15.928 -10.297 1.00 0.00 N ATOM 0 H LYS A 47 1.421 13.616 -5.316 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.120 11.772 -6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.207 13.553 -7.626 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.095 12.769 -8.731 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.725 14.134 -8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.071 14.637 -6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.304 16.509 -7.995 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.863 15.717 -8.114 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.385 16.110 -10.358 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.805 14.467 -10.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.802 15.837 -11.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.442 15.328 -9.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.880 16.920 -10.024 1.00 0.00 H new ATOM 653 N VAL A 48 3.079 11.070 -6.442 1.00 0.00 N ATOM 654 CA VAL A 48 4.071 10.011 -6.588 1.00 0.00 C ATOM 655 C VAL A 48 3.530 8.678 -6.085 1.00 0.00 C ATOM 656 O VAL A 48 3.713 7.640 -6.722 1.00 0.00 O ATOM 657 CB VAL A 48 5.367 10.347 -5.826 1.00 0.00 C ATOM 658 CG1 VAL A 48 6.372 9.212 -5.954 1.00 0.00 C ATOM 659 CG2 VAL A 48 5.958 11.654 -6.332 1.00 0.00 C ATOM 0 H VAL A 48 3.416 11.900 -5.955 1.00 0.00 H new ATOM 0 HA VAL A 48 4.294 9.931 -7.652 1.00 0.00 H new ATOM 0 HB VAL A 48 5.126 10.468 -4.770 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.281 9.468 -5.409 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.945 8.299 -5.539 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.611 9.055 -7.006 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.873 11.876 -5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.185 11.563 -7.394 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.240 12.460 -6.182 1.00 0.00 H new ATOM 669 N PHE A 49 2.861 8.712 -4.937 1.00 0.00 N ATOM 670 CA PHE A 49 2.292 7.506 -4.347 1.00 0.00 C ATOM 671 C PHE A 49 1.048 7.062 -5.110 1.00 0.00 C ATOM 672 O PHE A 49 0.883 5.881 -5.418 1.00 0.00 O ATOM 673 CB PHE A 49 1.943 7.748 -2.877 1.00 0.00 C ATOM 674 CG PHE A 49 0.791 6.917 -2.390 1.00 0.00 C ATOM 675 CD1 PHE A 49 -0.516 7.312 -2.630 1.00 0.00 C ATOM 676 CD2 PHE A 49 1.014 5.741 -1.691 1.00 0.00 C ATOM 677 CE1 PHE A 49 -1.578 6.549 -2.183 1.00 0.00 C ATOM 678 CE2 PHE A 49 -0.045 4.974 -1.243 1.00 0.00 C ATOM 679 CZ PHE A 49 -1.343 5.379 -1.488 1.00 0.00 C ATOM 0 H PHE A 49 2.700 9.562 -4.397 1.00 0.00 H new ATOM 0 HA PHE A 49 3.038 6.714 -4.411 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.819 7.535 -2.264 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.705 8.802 -2.737 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.706 8.226 -3.172 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.026 5.420 -1.494 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.591 6.868 -2.377 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.142 4.058 -0.702 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.172 4.782 -1.137 1.00 0.00 H new ATOM 689 N LEU A 50 0.174 8.016 -5.412 1.00 0.00 N ATOM 690 CA LEU A 50 -1.056 7.724 -6.139 1.00 0.00 C ATOM 691 C LEU A 50 -0.751 7.110 -7.501 1.00 0.00 C ATOM 692 O LEU A 50 -1.631 6.540 -8.148 1.00 0.00 O ATOM 693 CB LEU A 50 -1.882 9.000 -6.315 1.00 0.00 C ATOM 694 CG LEU A 50 -2.482 9.593 -5.040 1.00 0.00 C ATOM 695 CD1 LEU A 50 -3.046 10.979 -5.309 1.00 0.00 C ATOM 696 CD2 LEU A 50 -3.561 8.676 -4.482 1.00 0.00 C ATOM 0 H LEU A 50 0.295 8.998 -5.165 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.631 7.003 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.250 9.756 -6.781 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.694 8.790 -7.011 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.689 9.684 -4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.469 11.385 -4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.249 11.634 -5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.825 10.914 -6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.977 9.114 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.352 8.553 -5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.127 7.703 -4.250 1.00 0.00 H new ATOM 708 N PHE A 51 0.501 7.228 -7.931 1.00 0.00 N ATOM 709 CA PHE A 51 0.922 6.683 -9.216 1.00 0.00 C ATOM 710 C PHE A 51 1.548 5.303 -9.043 1.00 0.00 C ATOM 711 O PHE A 51 1.414 4.436 -9.907 1.00 0.00 O ATOM 712 CB PHE A 51 1.920 7.627 -9.891 1.00 0.00 C ATOM 713 CG PHE A 51 2.515 7.068 -11.152 1.00 0.00 C ATOM 714 CD1 PHE A 51 3.525 6.121 -11.097 1.00 0.00 C ATOM 715 CD2 PHE A 51 2.065 7.490 -12.393 1.00 0.00 C ATOM 716 CE1 PHE A 51 4.074 5.604 -12.255 1.00 0.00 C ATOM 717 CE2 PHE A 51 2.610 6.976 -13.554 1.00 0.00 C ATOM 718 CZ PHE A 51 3.617 6.033 -13.485 1.00 0.00 C ATOM 0 H PHE A 51 1.241 7.696 -7.408 1.00 0.00 H new ATOM 0 HA PHE A 51 0.039 6.585 -9.848 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.420 8.568 -10.121 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.723 7.856 -9.190 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.888 5.783 -10.138 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.280 8.229 -12.453 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.860 4.865 -12.198 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.249 7.311 -14.515 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.046 5.632 -14.391 1.00 0.00 H new ATOM 728 N ILE A 52 2.232 5.107 -7.921 1.00 0.00 N ATOM 729 CA ILE A 52 2.878 3.832 -7.633 1.00 0.00 C ATOM 730 C ILE A 52 1.854 2.706 -7.538 1.00 0.00 C ATOM 731 O ILE A 52 2.071 1.611 -8.057 1.00 0.00 O ATOM 732 CB ILE A 52 3.683 3.892 -6.321 1.00 0.00 C ATOM 733 CG1 ILE A 52 4.879 4.833 -6.474 1.00 0.00 C ATOM 734 CG2 ILE A 52 4.145 2.499 -5.920 1.00 0.00 C ATOM 735 CD1 ILE A 52 5.380 5.391 -5.160 1.00 0.00 C ATOM 0 H ILE A 52 2.353 5.815 -7.196 1.00 0.00 H new ATOM 0 HA ILE A 52 3.560 3.630 -8.459 1.00 0.00 H new ATOM 0 HB ILE A 52 3.038 4.281 -5.533 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.691 4.298 -6.966 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.600 5.659 -7.128 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.713 2.557 -4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.277 1.855 -5.775 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.777 2.085 -6.706 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.229 6.050 -5.344 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.582 5.954 -4.676 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.691 4.572 -4.512 1.00 0.00 H new ATOM 747 N ARG A 53 0.738 2.983 -6.872 1.00 0.00 N ATOM 748 CA ARG A 53 -0.320 1.994 -6.709 1.00 0.00 C ATOM 749 C ARG A 53 -1.038 1.743 -8.031 1.00 0.00 C ATOM 750 O ARG A 53 -1.363 0.605 -8.366 1.00 0.00 O ATOM 751 CB ARG A 53 -1.323 2.459 -5.652 1.00 0.00 C ATOM 752 CG ARG A 53 -2.340 3.460 -6.175 1.00 0.00 C ATOM 753 CD ARG A 53 -3.488 3.652 -5.196 1.00 0.00 C ATOM 754 NE ARG A 53 -4.158 4.936 -5.383 1.00 0.00 N ATOM 755 CZ ARG A 53 -5.115 5.142 -6.281 1.00 0.00 C ATOM 756 NH1 ARG A 53 -5.514 4.152 -7.068 1.00 0.00 N ATOM 757 NH2 ARG A 53 -5.677 6.339 -6.391 1.00 0.00 N ATOM 0 H ARG A 53 0.543 3.885 -6.436 1.00 0.00 H new ATOM 0 HA ARG A 53 0.137 1.060 -6.381 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.851 1.591 -5.257 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.780 2.907 -4.820 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.850 4.417 -6.355 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.731 3.116 -7.133 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.210 2.845 -5.321 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.109 3.586 -4.176 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.876 5.718 -4.792 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.086 3.230 -6.985 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.249 4.313 -7.757 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.374 7.102 -5.786 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.412 6.496 -7.081 1.00 0.00 H new ATOM 771 N ASN A 54 -1.283 2.815 -8.779 1.00 0.00 N ATOM 772 CA ASN A 54 -1.963 2.711 -10.064 1.00 0.00 C ATOM 773 C ASN A 54 -1.163 1.848 -11.036 1.00 0.00 C ATOM 774 O ASN A 54 -1.682 0.883 -11.596 1.00 0.00 O ATOM 775 CB ASN A 54 -2.183 4.102 -10.662 1.00 0.00 C ATOM 776 CG ASN A 54 -3.506 4.711 -10.238 1.00 0.00 C ATOM 777 OD1 ASN A 54 -4.459 4.755 -11.016 1.00 0.00 O ATOM 778 ND2 ASN A 54 -3.569 5.184 -8.999 1.00 0.00 N ATOM 0 H ASN A 54 -1.020 3.765 -8.517 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.930 2.237 -9.897 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.369 4.759 -10.356 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.148 4.037 -11.749 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.433 5.605 -8.657 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.754 5.126 -8.389 1.00 0.00 H new ATOM 785 N ARG A 55 0.103 2.204 -11.229 1.00 0.00 N ATOM 786 CA ARG A 55 0.975 1.463 -12.132 1.00 0.00 C ATOM 787 C ARG A 55 1.026 -0.013 -11.750 1.00 0.00 C ATOM 788 O ARG A 55 0.811 -0.891 -12.586 1.00 0.00 O ATOM 789 CB ARG A 55 2.385 2.055 -12.114 1.00 0.00 C ATOM 790 CG ARG A 55 3.258 1.585 -13.266 1.00 0.00 C ATOM 791 CD ARG A 55 2.887 2.282 -14.566 1.00 0.00 C ATOM 792 NE ARG A 55 3.941 2.165 -15.570 1.00 0.00 N ATOM 793 CZ ARG A 55 4.093 3.016 -16.579 1.00 0.00 C ATOM 794 NH1 ARG A 55 3.263 4.041 -16.716 1.00 0.00 N ATOM 795 NH2 ARG A 55 5.076 2.842 -17.452 1.00 0.00 N ATOM 0 H ARG A 55 0.547 3.001 -10.772 1.00 0.00 H new ATOM 0 HA ARG A 55 0.567 1.545 -13.139 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.314 3.142 -12.143 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.868 1.793 -11.173 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.305 1.779 -13.033 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.153 0.507 -13.387 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.965 1.853 -14.957 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.690 3.336 -14.369 1.00 0.00 H new ATOM 0 HE ARG A 55 4.596 1.387 -15.492 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.506 4.177 -16.046 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.382 4.693 -17.491 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.716 2.054 -17.349 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.192 3.496 -18.226 1.00 0.00 H new ATOM 809 N THR A 56 1.314 -0.281 -10.480 1.00 0.00 N ATOM 810 CA THR A 56 1.395 -1.650 -9.986 1.00 0.00 C ATOM 811 C THR A 56 0.206 -2.477 -10.460 1.00 0.00 C ATOM 812 O THR A 56 0.356 -3.640 -10.837 1.00 0.00 O ATOM 813 CB THR A 56 1.453 -1.690 -8.447 1.00 0.00 C ATOM 814 OG1 THR A 56 2.633 -1.024 -7.984 1.00 0.00 O ATOM 815 CG2 THR A 56 1.443 -3.125 -7.943 1.00 0.00 C ATOM 0 H THR A 56 1.495 0.433 -9.774 1.00 0.00 H new ATOM 0 HA THR A 56 2.314 -2.077 -10.388 1.00 0.00 H new ATOM 0 HB THR A 56 0.572 -1.179 -8.058 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.422 -0.090 -7.778 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.485 -3.128 -6.854 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.530 -3.620 -8.273 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.308 -3.656 -8.341 1.00 0.00 H new ATOM 823 N LEU A 57 -0.976 -1.870 -10.441 1.00 0.00 N ATOM 824 CA LEU A 57 -2.193 -2.551 -10.870 1.00 0.00 C ATOM 825 C LEU A 57 -2.217 -2.720 -12.386 1.00 0.00 C ATOM 826 O LEU A 57 -2.566 -3.784 -12.895 1.00 0.00 O ATOM 827 CB LEU A 57 -3.426 -1.770 -10.413 1.00 0.00 C ATOM 828 CG LEU A 57 -3.814 -1.929 -8.942 1.00 0.00 C ATOM 829 CD1 LEU A 57 -4.652 -0.747 -8.481 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.566 -3.235 -8.727 1.00 0.00 C ATOM 0 H LEU A 57 -1.117 -0.908 -10.133 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.207 -3.540 -10.412 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.255 -0.712 -10.611 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.273 -2.076 -11.027 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.902 -1.956 -8.346 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.919 -0.877 -7.432 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.079 0.173 -8.598 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.560 -0.688 -9.082 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.834 -3.332 -7.675 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.471 -3.238 -9.334 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.932 -4.072 -9.018 1.00 0.00 H new ATOM 842 N GLN A 58 -1.840 -1.664 -13.099 1.00 0.00 N ATOM 843 CA GLN A 58 -1.817 -1.696 -14.557 1.00 0.00 C ATOM 844 C GLN A 58 -1.152 -2.972 -15.063 1.00 0.00 C ATOM 845 O GLN A 58 -1.731 -3.713 -15.859 1.00 0.00 O ATOM 846 CB GLN A 58 -1.081 -0.472 -15.104 1.00 0.00 C ATOM 847 CG GLN A 58 -1.987 0.725 -15.344 1.00 0.00 C ATOM 848 CD GLN A 58 -2.573 0.742 -16.742 1.00 0.00 C ATOM 849 OE1 GLN A 58 -1.843 0.765 -17.734 1.00 0.00 O ATOM 850 NE2 GLN A 58 -3.898 0.730 -16.829 1.00 0.00 N ATOM 0 H GLN A 58 -1.546 -0.776 -12.692 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.848 -1.680 -14.912 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.295 -0.188 -14.404 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.592 -0.741 -16.040 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.797 0.715 -14.615 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.422 1.642 -15.180 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.465 0.711 -15.981 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.349 0.740 -17.744 1.00 0.00 H new ATOM 859 N LEU A 59 0.066 -3.223 -14.596 1.00 0.00 N ATOM 860 CA LEU A 59 0.811 -4.410 -15.001 1.00 0.00 C ATOM 861 C LEU A 59 0.112 -5.680 -14.525 1.00 0.00 C ATOM 862 O LEU A 59 0.274 -6.748 -15.116 1.00 0.00 O ATOM 863 CB LEU A 59 2.234 -4.358 -14.444 1.00 0.00 C ATOM 864 CG LEU A 59 2.986 -3.042 -14.646 1.00 0.00 C ATOM 865 CD1 LEU A 59 3.976 -2.813 -13.514 1.00 0.00 C ATOM 866 CD2 LEU A 59 3.700 -3.037 -15.990 1.00 0.00 C ATOM 0 H LEU A 59 0.559 -2.621 -13.937 1.00 0.00 H new ATOM 0 HA LEU A 59 0.855 -4.428 -16.090 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.192 -4.569 -13.375 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.813 -5.158 -14.905 1.00 0.00 H new ATOM 0 HG LEU A 59 2.262 -2.227 -14.638 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.502 -1.872 -13.675 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.441 -2.772 -12.565 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.696 -3.631 -13.489 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.230 -2.093 -16.117 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.413 -3.861 -16.026 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.969 -3.153 -16.791 1.00 0.00 H new ATOM 878 N TRP A 60 -0.665 -5.556 -13.455 1.00 0.00 N ATOM 879 CA TRP A 60 -1.390 -6.693 -12.901 1.00 0.00 C ATOM 880 C TRP A 60 -2.590 -7.050 -13.770 1.00 0.00 C ATOM 881 O TRP A 60 -2.875 -8.226 -14.001 1.00 0.00 O ATOM 882 CB TRP A 60 -1.850 -6.386 -11.475 1.00 0.00 C ATOM 883 CG TRP A 60 -3.109 -7.101 -11.090 1.00 0.00 C ATOM 884 CD1 TRP A 60 -4.368 -6.573 -11.034 1.00 0.00 C ATOM 885 CD2 TRP A 60 -3.231 -8.475 -10.705 1.00 0.00 C ATOM 886 NE1 TRP A 60 -5.264 -7.536 -10.638 1.00 0.00 N ATOM 887 CE2 TRP A 60 -4.592 -8.712 -10.431 1.00 0.00 C ATOM 888 CE3 TRP A 60 -2.323 -9.528 -10.568 1.00 0.00 C ATOM 889 CZ2 TRP A 60 -5.064 -9.958 -10.026 1.00 0.00 C ATOM 890 CZ3 TRP A 60 -2.793 -10.764 -10.166 1.00 0.00 C ATOM 891 CH2 TRP A 60 -4.153 -10.971 -9.900 1.00 0.00 C ATOM 0 H TRP A 60 -0.809 -4.679 -12.954 1.00 0.00 H new ATOM 0 HA TRP A 60 -0.714 -7.547 -12.881 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.058 -6.660 -10.778 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.005 -5.312 -11.374 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.621 -5.549 -11.267 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.267 -7.398 -10.518 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.273 -9.379 -10.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.112 -10.119 -9.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -2.100 -11.585 -10.055 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.489 -11.949 -9.589 1.00 0.00 H new ATOM 902 N LEU A 61 -3.291 -6.028 -14.250 1.00 0.00 N ATOM 903 CA LEU A 61 -4.462 -6.234 -15.095 1.00 0.00 C ATOM 904 C LEU A 61 -4.054 -6.713 -16.485 1.00 0.00 C ATOM 905 O LEU A 61 -4.871 -7.252 -17.232 1.00 0.00 O ATOM 906 CB LEU A 61 -5.270 -4.940 -15.206 1.00 0.00 C ATOM 907 CG LEU A 61 -6.296 -4.692 -14.100 1.00 0.00 C ATOM 908 CD1 LEU A 61 -6.801 -3.258 -14.152 1.00 0.00 C ATOM 909 CD2 LEU A 61 -7.455 -5.672 -14.219 1.00 0.00 C ATOM 0 H LEU A 61 -3.069 -5.049 -14.068 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.081 -7.003 -14.633 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.574 -4.101 -15.223 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.791 -4.942 -16.163 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.810 -4.850 -13.137 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.530 -3.100 -13.358 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.964 -2.572 -14.018 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.271 -3.073 -15.118 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.176 -5.481 -13.424 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.940 -5.546 -15.187 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.080 -6.692 -14.132 1.00 0.00 H new ATOM 921 N ASP A 62 -2.785 -6.514 -16.824 1.00 0.00 N ATOM 922 CA ASP A 62 -2.266 -6.928 -18.122 1.00 0.00 C ATOM 923 C ASP A 62 -1.763 -8.367 -18.073 1.00 0.00 C ATOM 924 O ASP A 62 -1.947 -9.132 -19.019 1.00 0.00 O ATOM 925 CB ASP A 62 -1.139 -5.995 -18.566 1.00 0.00 C ATOM 926 CG ASP A 62 -0.598 -6.351 -19.938 1.00 0.00 C ATOM 927 OD1 ASP A 62 0.083 -7.391 -20.056 1.00 0.00 O ATOM 928 OD2 ASP A 62 -0.858 -5.590 -20.893 1.00 0.00 O ATOM 0 H ASP A 62 -2.097 -6.068 -16.217 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.080 -6.872 -18.845 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.505 -4.968 -18.578 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.329 -6.036 -17.838 1.00 0.00 H new ATOM 933 N ASN A 63 -1.127 -8.728 -16.963 1.00 0.00 N ATOM 934 CA ASN A 63 -0.596 -10.075 -16.791 1.00 0.00 C ATOM 935 C ASN A 63 -0.967 -10.636 -15.421 1.00 0.00 C ATOM 936 O ASN A 63 -0.115 -11.092 -14.658 1.00 0.00 O ATOM 937 CB ASN A 63 0.925 -10.071 -16.958 1.00 0.00 C ATOM 938 CG ASN A 63 1.446 -11.369 -17.545 1.00 0.00 C ATOM 939 OD1 ASN A 63 1.170 -11.696 -18.699 1.00 0.00 O ATOM 940 ND2 ASN A 63 2.204 -12.115 -16.750 1.00 0.00 N ATOM 0 H ASN A 63 -0.967 -8.107 -16.170 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.038 -10.713 -17.557 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.215 -9.242 -17.603 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.394 -9.900 -15.989 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.583 -12.999 -17.089 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.407 -11.804 -15.800 1.00 0.00 H new ATOM 947 N PRO A 64 -2.269 -10.601 -15.101 1.00 0.00 N ATOM 948 CA PRO A 64 -2.783 -11.102 -13.823 1.00 0.00 C ATOM 949 C PRO A 64 -2.697 -12.621 -13.719 1.00 0.00 C ATOM 950 O PRO A 64 -3.171 -13.215 -12.750 1.00 0.00 O ATOM 951 CB PRO A 64 -4.245 -10.648 -13.826 1.00 0.00 C ATOM 952 CG PRO A 64 -4.597 -10.515 -15.268 1.00 0.00 C ATOM 953 CD PRO A 64 -3.339 -10.071 -15.962 1.00 0.00 C ATOM 0 HA PRO A 64 -2.208 -10.726 -12.977 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.886 -11.375 -13.327 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.367 -9.701 -13.300 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.952 -11.463 -15.672 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.398 -9.789 -15.409 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.276 -10.471 -16.974 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.287 -8.985 -16.045 1.00 0.00 H new ATOM 961 N LYS A 65 -2.090 -13.245 -14.722 1.00 0.00 N ATOM 962 CA LYS A 65 -1.940 -14.695 -14.744 1.00 0.00 C ATOM 963 C LYS A 65 -0.722 -15.128 -13.934 1.00 0.00 C ATOM 964 O LYS A 65 -0.457 -16.321 -13.784 1.00 0.00 O ATOM 965 CB LYS A 65 -1.810 -15.193 -16.185 1.00 0.00 C ATOM 966 CG LYS A 65 -0.694 -14.520 -16.964 1.00 0.00 C ATOM 967 CD LYS A 65 -0.075 -15.464 -17.981 1.00 0.00 C ATOM 968 CE LYS A 65 0.508 -14.705 -19.163 1.00 0.00 C ATOM 969 NZ LYS A 65 1.339 -15.584 -20.031 1.00 0.00 N ATOM 0 H LYS A 65 -1.693 -12.768 -15.532 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.830 -15.134 -14.293 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.636 -16.269 -16.174 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.754 -15.028 -16.704 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.085 -13.640 -17.474 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.075 -14.173 -16.274 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.708 -16.053 -17.503 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.830 -16.166 -18.335 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.301 -14.273 -19.752 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.115 -13.876 -18.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.718 -15.030 -20.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.126 -15.976 -19.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.754 -16.361 -20.399 1.00 0.00 H new ATOM 983 N ILE A 66 0.014 -14.152 -13.412 1.00 0.00 N ATOM 984 CA ILE A 66 1.201 -14.433 -12.615 1.00 0.00 C ATOM 985 C ILE A 66 1.268 -13.529 -11.389 1.00 0.00 C ATOM 986 O ILE A 66 0.884 -12.361 -11.447 1.00 0.00 O ATOM 987 CB ILE A 66 2.489 -14.255 -13.441 1.00 0.00 C ATOM 988 CG1 ILE A 66 2.838 -12.771 -13.568 1.00 0.00 C ATOM 989 CG2 ILE A 66 2.327 -14.886 -14.816 1.00 0.00 C ATOM 990 CD1 ILE A 66 4.081 -12.511 -14.390 1.00 0.00 C ATOM 0 H ILE A 66 -0.191 -13.160 -13.527 1.00 0.00 H new ATOM 0 HA ILE A 66 1.126 -15.472 -12.293 1.00 0.00 H new ATOM 0 HB ILE A 66 3.307 -14.758 -12.925 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.997 -12.246 -14.020 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.977 -12.352 -12.571 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.245 -14.752 -15.388 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.120 -15.950 -14.706 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.500 -14.408 -15.341 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.268 -11.438 -14.438 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.934 -13.008 -13.927 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.938 -12.899 -15.398 1.00 0.00 H new ATOM 1002 N GLN A 67 1.758 -14.076 -10.282 1.00 0.00 N ATOM 1003 CA GLN A 67 1.876 -13.318 -9.043 1.00 0.00 C ATOM 1004 C GLN A 67 2.819 -12.132 -9.218 1.00 0.00 C ATOM 1005 O GLN A 67 3.965 -12.293 -9.639 1.00 0.00 O ATOM 1006 CB GLN A 67 2.377 -14.220 -7.913 1.00 0.00 C ATOM 1007 CG GLN A 67 3.884 -14.419 -7.917 1.00 0.00 C ATOM 1008 CD GLN A 67 4.381 -15.092 -9.181 1.00 0.00 C ATOM 1009 OE1 GLN A 67 4.032 -16.238 -9.467 1.00 0.00 O ATOM 1010 NE2 GLN A 67 5.200 -14.381 -9.947 1.00 0.00 N ATOM 0 H GLN A 67 2.080 -15.042 -10.218 1.00 0.00 H new ATOM 0 HA GLN A 67 0.888 -12.938 -8.784 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.078 -13.791 -6.957 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.890 -15.192 -7.992 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.375 -13.452 -7.808 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.169 -15.020 -7.054 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.463 -13.435 -9.672 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.566 -14.781 -10.811 1.00 0.00 H new ATOM 1019 N LEU A 68 2.330 -10.940 -8.893 1.00 0.00 N ATOM 1020 CA LEU A 68 3.129 -9.726 -9.014 1.00 0.00 C ATOM 1021 C LEU A 68 3.993 -9.516 -7.775 1.00 0.00 C ATOM 1022 O LEU A 68 3.510 -9.063 -6.737 1.00 0.00 O ATOM 1023 CB LEU A 68 2.221 -8.514 -9.228 1.00 0.00 C ATOM 1024 CG LEU A 68 2.890 -7.267 -9.808 1.00 0.00 C ATOM 1025 CD1 LEU A 68 3.527 -7.580 -11.153 1.00 0.00 C ATOM 1026 CD2 LEU A 68 1.883 -6.135 -9.942 1.00 0.00 C ATOM 0 H LEU A 68 1.384 -10.789 -8.544 1.00 0.00 H new ATOM 0 HA LEU A 68 3.786 -9.838 -9.877 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.408 -8.807 -9.892 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.771 -8.249 -8.271 1.00 0.00 H new ATOM 0 HG LEU A 68 3.676 -6.947 -9.123 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.998 -6.681 -11.550 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.279 -8.359 -11.027 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.761 -7.925 -11.847 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.377 -5.256 -10.356 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.075 -6.444 -10.605 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.475 -5.893 -8.961 1.00 0.00 H new ATOM 1038 N THR A 69 5.275 -9.848 -7.891 1.00 0.00 N ATOM 1039 CA THR A 69 6.207 -9.695 -6.781 1.00 0.00 C ATOM 1040 C THR A 69 6.603 -8.235 -6.592 1.00 0.00 C ATOM 1041 O THR A 69 6.322 -7.390 -7.443 1.00 0.00 O ATOM 1042 CB THR A 69 7.480 -10.536 -6.996 1.00 0.00 C ATOM 1043 OG1 THR A 69 8.219 -10.030 -8.112 1.00 0.00 O ATOM 1044 CG2 THR A 69 7.128 -11.997 -7.235 1.00 0.00 C ATOM 0 H THR A 69 5.691 -10.225 -8.743 1.00 0.00 H new ATOM 0 HA THR A 69 5.693 -10.048 -5.887 1.00 0.00 H new ATOM 0 HB THR A 69 8.091 -10.468 -6.096 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.027 -10.569 -8.241 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.042 -12.572 -7.384 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.591 -12.388 -6.371 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.499 -12.079 -8.121 1.00 0.00 H new ATOM 1052 N PHE A 70 7.258 -7.944 -5.473 1.00 0.00 N ATOM 1053 CA PHE A 70 7.693 -6.585 -5.173 1.00 0.00 C ATOM 1054 C PHE A 70 8.755 -6.122 -6.166 1.00 0.00 C ATOM 1055 O PHE A 70 8.721 -4.987 -6.642 1.00 0.00 O ATOM 1056 CB PHE A 70 8.243 -6.506 -3.747 1.00 0.00 C ATOM 1057 CG PHE A 70 9.113 -5.305 -3.506 1.00 0.00 C ATOM 1058 CD1 PHE A 70 8.563 -4.114 -3.061 1.00 0.00 C ATOM 1059 CD2 PHE A 70 10.479 -5.369 -3.723 1.00 0.00 C ATOM 1060 CE1 PHE A 70 9.362 -3.007 -2.839 1.00 0.00 C ATOM 1061 CE2 PHE A 70 11.283 -4.266 -3.502 1.00 0.00 C ATOM 1062 CZ PHE A 70 10.723 -3.084 -3.059 1.00 0.00 C ATOM 0 H PHE A 70 7.499 -8.631 -4.759 1.00 0.00 H new ATOM 0 HA PHE A 70 6.829 -5.926 -5.259 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.409 -6.488 -3.045 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.817 -7.409 -3.537 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.499 -4.049 -2.886 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.922 -6.291 -4.069 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.922 -2.083 -2.494 1.00 0.00 H new ATOM 0 HE2 PHE A 70 12.347 -4.329 -3.676 1.00 0.00 H new ATOM 0 HZ PHE A 70 11.349 -2.221 -2.885 1.00 0.00 H new ATOM 1072 N GLU A 71 9.697 -7.008 -6.472 1.00 0.00 N ATOM 1073 CA GLU A 71 10.769 -6.690 -7.407 1.00 0.00 C ATOM 1074 C GLU A 71 10.204 -6.251 -8.755 1.00 0.00 C ATOM 1075 O GLU A 71 10.372 -5.104 -9.167 1.00 0.00 O ATOM 1076 CB GLU A 71 11.688 -7.899 -7.596 1.00 0.00 C ATOM 1077 CG GLU A 71 12.622 -8.142 -6.423 1.00 0.00 C ATOM 1078 CD GLU A 71 12.011 -9.043 -5.367 1.00 0.00 C ATOM 1079 OE1 GLU A 71 10.768 -9.157 -5.333 1.00 0.00 O ATOM 1080 OE2 GLU A 71 12.776 -9.634 -4.576 1.00 0.00 O ATOM 0 H GLU A 71 9.739 -7.951 -6.086 1.00 0.00 H new ATOM 0 HA GLU A 71 11.347 -5.866 -6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.077 -8.788 -7.754 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.282 -7.756 -8.499 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.547 -8.590 -6.787 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.887 -7.186 -5.971 1.00 0.00 H new ATOM 1087 N ALA A 72 9.533 -7.174 -9.437 1.00 0.00 N ATOM 1088 CA ALA A 72 8.942 -6.884 -10.737 1.00 0.00 C ATOM 1089 C ALA A 72 8.305 -5.498 -10.754 1.00 0.00 C ATOM 1090 O ALA A 72 8.691 -4.635 -11.543 1.00 0.00 O ATOM 1091 CB ALA A 72 7.912 -7.944 -11.097 1.00 0.00 C ATOM 0 H ALA A 72 9.385 -8.129 -9.110 1.00 0.00 H new ATOM 0 HA ALA A 72 9.738 -6.899 -11.481 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.479 -7.715 -12.071 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.394 -8.921 -11.135 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.125 -7.957 -10.343 1.00 0.00 H new ATOM 1097 N THR A 73 7.327 -5.291 -9.878 1.00 0.00 N ATOM 1098 CA THR A 73 6.635 -4.011 -9.793 1.00 0.00 C ATOM 1099 C THR A 73 7.625 -2.853 -9.744 1.00 0.00 C ATOM 1100 O THR A 73 7.431 -1.829 -10.399 1.00 0.00 O ATOM 1101 CB THR A 73 5.724 -3.946 -8.552 1.00 0.00 C ATOM 1102 OG1 THR A 73 4.742 -4.986 -8.610 1.00 0.00 O ATOM 1103 CG2 THR A 73 5.034 -2.594 -8.458 1.00 0.00 C ATOM 0 H THR A 73 6.996 -5.994 -9.217 1.00 0.00 H new ATOM 0 HA THR A 73 6.022 -3.923 -10.690 1.00 0.00 H new ATOM 0 HB THR A 73 6.344 -4.082 -7.666 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.074 -5.776 -8.135 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.396 -2.572 -7.574 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.784 -1.807 -8.384 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.426 -2.433 -9.348 1.00 0.00 H new ATOM 1111 N LEU A 74 8.688 -3.023 -8.965 1.00 0.00 N ATOM 1112 CA LEU A 74 9.710 -1.991 -8.831 1.00 0.00 C ATOM 1113 C LEU A 74 10.456 -1.789 -10.146 1.00 0.00 C ATOM 1114 O LEU A 74 10.486 -0.685 -10.690 1.00 0.00 O ATOM 1115 CB LEU A 74 10.698 -2.364 -7.724 1.00 0.00 C ATOM 1116 CG LEU A 74 12.035 -1.623 -7.739 1.00 0.00 C ATOM 1117 CD1 LEU A 74 11.926 -0.309 -6.982 1.00 0.00 C ATOM 1118 CD2 LEU A 74 13.134 -2.493 -7.146 1.00 0.00 C ATOM 0 H LEU A 74 8.864 -3.865 -8.417 1.00 0.00 H new ATOM 0 HA LEU A 74 9.214 -1.056 -8.568 1.00 0.00 H new ATOM 0 HB2 LEU A 74 10.218 -2.187 -6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.898 -3.434 -7.788 1.00 0.00 H new ATOM 0 HG LEU A 74 12.294 -1.401 -8.774 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.887 0.204 -7.004 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.169 0.319 -7.451 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.644 -0.507 -5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.079 -1.949 -7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.882 -2.746 -6.116 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.230 -3.407 -7.732 1.00 0.00 H new ATOM 1130 N GLN A 75 11.053 -2.863 -10.653 1.00 0.00 N ATOM 1131 CA GLN A 75 11.797 -2.803 -11.906 1.00 0.00 C ATOM 1132 C GLN A 75 10.987 -2.094 -12.986 1.00 0.00 C ATOM 1133 O GLN A 75 11.502 -1.226 -13.691 1.00 0.00 O ATOM 1134 CB GLN A 75 12.167 -4.213 -12.371 1.00 0.00 C ATOM 1135 CG GLN A 75 13.157 -4.915 -11.456 1.00 0.00 C ATOM 1136 CD GLN A 75 14.598 -4.582 -11.788 1.00 0.00 C ATOM 1137 OE1 GLN A 75 15.088 -4.908 -12.870 1.00 0.00 O ATOM 1138 NE2 GLN A 75 15.285 -3.929 -10.859 1.00 0.00 N ATOM 0 H GLN A 75 11.036 -3.784 -10.216 1.00 0.00 H new ATOM 0 HA GLN A 75 12.710 -2.234 -11.731 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.260 -4.814 -12.440 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.589 -4.157 -13.374 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.952 -4.635 -10.423 1.00 0.00 H new ATOM 0 HG3 GLN A 75 13.011 -5.993 -11.529 1.00 0.00 H new ATOM 0 HE21 GLN A 75 14.839 -3.679 -9.977 1.00 0.00 H new ATOM 0 HE22 GLN A 75 16.259 -3.677 -11.028 1.00 0.00 H new ATOM 1147 N GLN A 76 9.719 -2.471 -13.111 1.00 0.00 N ATOM 1148 CA GLN A 76 8.838 -1.871 -14.107 1.00 0.00 C ATOM 1149 C GLN A 76 8.606 -0.394 -13.808 1.00 0.00 C ATOM 1150 O GLN A 76 8.525 0.429 -14.721 1.00 0.00 O ATOM 1151 CB GLN A 76 7.501 -2.612 -14.148 1.00 0.00 C ATOM 1152 CG GLN A 76 7.619 -4.055 -14.611 1.00 0.00 C ATOM 1153 CD GLN A 76 6.483 -4.924 -14.108 1.00 0.00 C ATOM 1154 OE1 GLN A 76 5.751 -5.526 -14.894 1.00 0.00 O ATOM 1155 NE2 GLN A 76 6.331 -4.995 -12.791 1.00 0.00 N ATOM 0 H GLN A 76 9.278 -3.189 -12.536 1.00 0.00 H new ATOM 0 HA GLN A 76 9.321 -1.954 -15.081 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.054 -2.594 -13.154 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.821 -2.080 -14.813 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.638 -4.083 -15.700 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.567 -4.467 -14.265 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.961 -4.479 -12.176 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.584 -5.565 -12.394 1.00 0.00 H new ATOM 1164 N LEU A 77 8.499 -0.064 -12.526 1.00 0.00 N ATOM 1165 CA LEU A 77 8.275 1.315 -12.107 1.00 0.00 C ATOM 1166 C LEU A 77 9.430 2.211 -12.542 1.00 0.00 C ATOM 1167 O LEU A 77 10.493 1.725 -12.928 1.00 0.00 O ATOM 1168 CB LEU A 77 8.104 1.386 -10.589 1.00 0.00 C ATOM 1169 CG LEU A 77 6.665 1.330 -10.072 1.00 0.00 C ATOM 1170 CD1 LEU A 77 6.632 0.814 -8.642 1.00 0.00 C ATOM 1171 CD2 LEU A 77 6.013 2.702 -10.161 1.00 0.00 C ATOM 0 H LEU A 77 8.564 -0.733 -11.758 1.00 0.00 H new ATOM 0 HA LEU A 77 7.363 1.671 -12.587 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.662 0.563 -10.142 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.560 2.310 -10.235 1.00 0.00 H new ATOM 0 HG LEU A 77 6.100 0.640 -10.699 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.601 0.781 -8.291 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.060 -0.188 -8.607 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.212 1.479 -8.002 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.990 2.644 -9.789 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.578 3.413 -9.558 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.003 3.034 -11.199 1.00 0.00 H new ATOM 1183 N GLU A 78 9.214 3.521 -12.475 1.00 0.00 N ATOM 1184 CA GLU A 78 10.239 4.484 -12.861 1.00 0.00 C ATOM 1185 C GLU A 78 10.329 5.619 -11.846 1.00 0.00 C ATOM 1186 O GLU A 78 9.343 6.304 -11.575 1.00 0.00 O ATOM 1187 CB GLU A 78 9.940 5.051 -14.251 1.00 0.00 C ATOM 1188 CG GLU A 78 8.584 5.731 -14.352 1.00 0.00 C ATOM 1189 CD GLU A 78 8.347 6.359 -15.711 1.00 0.00 C ATOM 1190 OE1 GLU A 78 9.337 6.614 -16.429 1.00 0.00 O ATOM 1191 OE2 GLU A 78 7.171 6.596 -16.057 1.00 0.00 O ATOM 0 H GLU A 78 8.340 3.939 -12.157 1.00 0.00 H new ATOM 0 HA GLU A 78 11.197 3.965 -12.886 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.717 5.768 -14.517 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.988 4.243 -14.982 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.800 5.001 -14.151 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.509 6.499 -13.583 1.00 0.00 H new ATOM 1198 N ALA A 79 11.519 5.811 -11.286 1.00 0.00 N ATOM 1199 CA ALA A 79 11.740 6.863 -10.302 1.00 0.00 C ATOM 1200 C ALA A 79 11.082 8.169 -10.736 1.00 0.00 C ATOM 1201 O ALA A 79 10.804 8.389 -11.915 1.00 0.00 O ATOM 1202 CB ALA A 79 13.230 7.071 -10.076 1.00 0.00 C ATOM 0 H ALA A 79 12.345 5.251 -11.497 1.00 0.00 H new ATOM 0 HA ALA A 79 11.282 6.550 -9.364 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.380 7.860 -9.339 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.676 6.145 -9.712 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.704 7.357 -11.015 1.00 0.00 H new ATOM 1208 N PRO A 80 10.825 9.056 -9.763 1.00 0.00 N ATOM 1209 CA PRO A 80 11.150 8.803 -8.356 1.00 0.00 C ATOM 1210 C PRO A 80 10.266 7.724 -7.741 1.00 0.00 C ATOM 1211 O PRO A 80 10.519 7.260 -6.629 1.00 0.00 O ATOM 1212 CB PRO A 80 10.891 10.154 -7.685 1.00 0.00 C ATOM 1213 CG PRO A 80 9.892 10.828 -8.561 1.00 0.00 C ATOM 1214 CD PRO A 80 10.196 10.372 -9.962 1.00 0.00 C ATOM 0 HA PRO A 80 12.170 8.438 -8.232 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.507 10.026 -6.673 1.00 0.00 H new ATOM 0 HB3 PRO A 80 11.807 10.739 -7.607 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.876 10.557 -8.274 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.969 11.912 -8.478 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.291 10.298 -10.566 1.00 0.00 H new ATOM 0 HD3 PRO A 80 10.865 11.064 -10.474 1.00 0.00 H new ATOM 1222 N TYR A 81 9.228 7.330 -8.471 1.00 0.00 N ATOM 1223 CA TYR A 81 8.305 6.306 -7.995 1.00 0.00 C ATOM 1224 C TYR A 81 9.062 5.125 -7.395 1.00 0.00 C ATOM 1225 O TYR A 81 8.897 4.800 -6.221 1.00 0.00 O ATOM 1226 CB TYR A 81 7.411 5.825 -9.139 1.00 0.00 C ATOM 1227 CG TYR A 81 6.835 6.948 -9.971 1.00 0.00 C ATOM 1228 CD1 TYR A 81 6.375 8.116 -9.374 1.00 0.00 C ATOM 1229 CD2 TYR A 81 6.751 6.843 -11.354 1.00 0.00 C ATOM 1230 CE1 TYR A 81 5.848 9.145 -10.131 1.00 0.00 C ATOM 1231 CE2 TYR A 81 6.226 7.867 -12.118 1.00 0.00 C ATOM 1232 CZ TYR A 81 5.776 9.016 -11.502 1.00 0.00 C ATOM 1233 OH TYR A 81 5.252 10.038 -12.260 1.00 0.00 O ATOM 0 H TYR A 81 9.005 7.704 -9.393 1.00 0.00 H new ATOM 0 HA TYR A 81 7.683 6.748 -7.217 1.00 0.00 H new ATOM 0 HB2 TYR A 81 7.987 5.164 -9.786 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.594 5.234 -8.726 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.430 8.221 -8.301 1.00 0.00 H new ATOM 0 HD2 TYR A 81 7.102 5.945 -11.840 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.494 10.046 -9.651 1.00 0.00 H new ATOM 0 HE2 TYR A 81 6.168 7.768 -13.192 1.00 0.00 H new ATOM 0 HH TYR A 81 5.275 9.788 -13.207 1.00 0.00 H new ATOM 1243 N ASN A 82 9.895 4.488 -8.212 1.00 0.00 N ATOM 1244 CA ASN A 82 10.679 3.343 -7.764 1.00 0.00 C ATOM 1245 C ASN A 82 11.814 3.787 -6.846 1.00 0.00 C ATOM 1246 O ASN A 82 12.171 3.085 -5.900 1.00 0.00 O ATOM 1247 CB ASN A 82 11.247 2.585 -8.966 1.00 0.00 C ATOM 1248 CG ASN A 82 12.610 3.102 -9.384 1.00 0.00 C ATOM 1249 OD1 ASN A 82 13.552 3.111 -8.591 1.00 0.00 O ATOM 1250 ND2 ASN A 82 12.721 3.535 -10.634 1.00 0.00 N ATOM 0 H ASN A 82 10.044 4.746 -9.188 1.00 0.00 H new ATOM 0 HA ASN A 82 10.020 2.680 -7.204 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.323 1.526 -8.721 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.556 2.670 -9.805 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.614 3.894 -10.972 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.913 3.509 -11.256 1.00 0.00 H new ATOM 1257 N SER A 83 12.376 4.957 -7.132 1.00 0.00 N ATOM 1258 CA SER A 83 13.473 5.493 -6.335 1.00 0.00 C ATOM 1259 C SER A 83 13.303 5.129 -4.863 1.00 0.00 C ATOM 1260 O SER A 83 14.237 4.651 -4.219 1.00 0.00 O ATOM 1261 CB SER A 83 13.549 7.013 -6.491 1.00 0.00 C ATOM 1262 OG SER A 83 14.700 7.535 -5.850 1.00 0.00 O ATOM 0 H SER A 83 12.090 5.552 -7.910 1.00 0.00 H new ATOM 0 HA SER A 83 14.402 5.051 -6.696 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.569 7.272 -7.549 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.655 7.470 -6.068 1.00 0.00 H new ATOM 0 HG SER A 83 14.726 8.508 -5.966 1.00 0.00 H new ATOM 1268 N ASP A 84 12.105 5.359 -4.338 1.00 0.00 N ATOM 1269 CA ASP A 84 11.810 5.055 -2.942 1.00 0.00 C ATOM 1270 C ASP A 84 11.259 3.639 -2.799 1.00 0.00 C ATOM 1271 O ASP A 84 10.046 3.429 -2.809 1.00 0.00 O ATOM 1272 CB ASP A 84 10.809 6.064 -2.378 1.00 0.00 C ATOM 1273 CG ASP A 84 11.355 7.479 -2.372 1.00 0.00 C ATOM 1274 OD1 ASP A 84 12.141 7.807 -1.459 1.00 0.00 O ATOM 1275 OD2 ASP A 84 10.996 8.258 -3.280 1.00 0.00 O ATOM 0 H ASP A 84 11.322 5.755 -4.858 1.00 0.00 H new ATOM 0 HA ASP A 84 12.740 5.123 -2.377 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.894 6.033 -2.969 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.541 5.777 -1.361 1.00 0.00 H new ATOM 1280 N THR A 85 12.159 2.670 -2.668 1.00 0.00 N ATOM 1281 CA THR A 85 11.764 1.274 -2.525 1.00 0.00 C ATOM 1282 C THR A 85 10.772 1.098 -1.382 1.00 0.00 C ATOM 1283 O THR A 85 9.767 0.401 -1.520 1.00 0.00 O ATOM 1284 CB THR A 85 12.984 0.367 -2.275 1.00 0.00 C ATOM 1285 OG1 THR A 85 13.809 0.929 -1.249 1.00 0.00 O ATOM 1286 CG2 THR A 85 13.798 0.193 -3.549 1.00 0.00 C ATOM 0 H THR A 85 13.167 2.826 -2.658 1.00 0.00 H new ATOM 0 HA THR A 85 11.290 0.982 -3.462 1.00 0.00 H new ATOM 0 HB THR A 85 12.624 -0.611 -1.956 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.581 0.346 -1.094 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.654 -0.451 -3.349 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.175 -0.261 -4.320 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.149 1.166 -3.893 1.00 0.00 H new ATOM 1294 N VAL A 86 11.059 1.735 -0.251 1.00 0.00 N ATOM 1295 CA VAL A 86 10.190 1.650 0.917 1.00 0.00 C ATOM 1296 C VAL A 86 8.739 1.932 0.544 1.00 0.00 C ATOM 1297 O VAL A 86 7.820 1.290 1.054 1.00 0.00 O ATOM 1298 CB VAL A 86 10.627 2.638 2.015 1.00 0.00 C ATOM 1299 CG1 VAL A 86 10.174 4.049 1.675 1.00 0.00 C ATOM 1300 CG2 VAL A 86 10.083 2.205 3.367 1.00 0.00 C ATOM 0 H VAL A 86 11.887 2.316 -0.119 1.00 0.00 H new ATOM 0 HA VAL A 86 10.273 0.633 1.300 1.00 0.00 H new ATOM 0 HB VAL A 86 11.716 2.636 2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.492 4.733 2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.617 4.355 0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.087 4.072 1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.401 2.914 4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.994 2.177 3.329 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.463 1.213 3.611 1.00 0.00 H new ATOM 1310 N LEU A 87 8.540 2.895 -0.350 1.00 0.00 N ATOM 1311 CA LEU A 87 7.199 3.262 -0.793 1.00 0.00 C ATOM 1312 C LEU A 87 6.593 2.164 -1.661 1.00 0.00 C ATOM 1313 O LEU A 87 5.449 1.757 -1.456 1.00 0.00 O ATOM 1314 CB LEU A 87 7.241 4.578 -1.570 1.00 0.00 C ATOM 1315 CG LEU A 87 5.943 5.387 -1.591 1.00 0.00 C ATOM 1316 CD1 LEU A 87 5.388 5.540 -0.183 1.00 0.00 C ATOM 1317 CD2 LEU A 87 6.174 6.750 -2.226 1.00 0.00 C ATOM 0 H LEU A 87 9.290 3.435 -0.782 1.00 0.00 H new ATOM 0 HA LEU A 87 6.572 3.388 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.028 5.202 -1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.527 4.360 -2.599 1.00 0.00 H new ATOM 0 HG LEU A 87 5.211 4.848 -2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.465 6.118 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.184 4.555 0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.117 6.057 0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.240 7.311 -2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.922 7.297 -1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.526 6.620 -3.249 1.00 0.00 H new ATOM 1329 N VAL A 88 7.368 1.686 -2.629 1.00 0.00 N ATOM 1330 CA VAL A 88 6.909 0.633 -3.526 1.00 0.00 C ATOM 1331 C VAL A 88 6.495 -0.611 -2.748 1.00 0.00 C ATOM 1332 O VAL A 88 5.629 -1.370 -3.183 1.00 0.00 O ATOM 1333 CB VAL A 88 7.999 0.248 -4.545 1.00 0.00 C ATOM 1334 CG1 VAL A 88 7.518 -0.882 -5.441 1.00 0.00 C ATOM 1335 CG2 VAL A 88 8.406 1.459 -5.371 1.00 0.00 C ATOM 0 H VAL A 88 8.317 2.012 -2.812 1.00 0.00 H new ATOM 0 HA VAL A 88 6.045 1.028 -4.061 1.00 0.00 H new ATOM 0 HB VAL A 88 8.875 -0.102 -3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.301 -1.140 -6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.281 -1.754 -4.831 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.626 -0.564 -5.981 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.177 1.170 -6.086 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.538 1.841 -5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.795 2.235 -4.712 1.00 0.00 H new ATOM 1345 N HIS A 89 7.120 -0.814 -1.592 1.00 0.00 N ATOM 1346 CA HIS A 89 6.816 -1.966 -0.750 1.00 0.00 C ATOM 1347 C HIS A 89 5.512 -1.752 0.013 1.00 0.00 C ATOM 1348 O HIS A 89 4.723 -2.681 0.185 1.00 0.00 O ATOM 1349 CB HIS A 89 7.959 -2.222 0.232 1.00 0.00 C ATOM 1350 CG HIS A 89 7.945 -3.599 0.821 1.00 0.00 C ATOM 1351 ND1 HIS A 89 6.946 -4.049 1.659 1.00 0.00 N ATOM 1352 CD2 HIS A 89 8.814 -4.628 0.688 1.00 0.00 C ATOM 1353 CE1 HIS A 89 7.203 -5.294 2.018 1.00 0.00 C ATOM 1354 NE2 HIS A 89 8.330 -5.670 1.441 1.00 0.00 N ATOM 0 H HIS A 89 7.840 -0.196 -1.217 1.00 0.00 H new ATOM 0 HA HIS A 89 6.700 -2.837 -1.396 1.00 0.00 H new ATOM 0 HB2 HIS A 89 8.909 -2.064 -0.279 1.00 0.00 H new ATOM 0 HB3 HIS A 89 7.905 -1.490 1.038 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.719 -4.630 0.099 1.00 0.00 H new ATOM 0 HE1 HIS A 89 6.595 -5.901 2.672 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.770 -6.585 1.539 1.00 0.00 H new ATOM 1363 N ARG A 90 5.294 -0.523 0.468 1.00 0.00 N ATOM 1364 CA ARG A 90 4.087 -0.188 1.215 1.00 0.00 C ATOM 1365 C ARG A 90 2.872 -0.141 0.292 1.00 0.00 C ATOM 1366 O ARG A 90 1.762 -0.494 0.690 1.00 0.00 O ATOM 1367 CB ARG A 90 4.256 1.157 1.922 1.00 0.00 C ATOM 1368 CG ARG A 90 5.303 1.139 3.023 1.00 0.00 C ATOM 1369 CD ARG A 90 5.751 2.546 3.389 1.00 0.00 C ATOM 1370 NE ARG A 90 4.944 3.115 4.464 1.00 0.00 N ATOM 1371 CZ ARG A 90 5.370 4.083 5.269 1.00 0.00 C ATOM 1372 NH1 ARG A 90 6.588 4.586 5.121 1.00 0.00 N ATOM 1373 NH2 ARG A 90 4.577 4.549 6.225 1.00 0.00 N ATOM 0 H ARG A 90 5.937 0.257 0.333 1.00 0.00 H new ATOM 0 HA ARG A 90 3.925 -0.965 1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.528 1.913 1.186 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.298 1.457 2.348 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.896 0.644 3.905 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.164 0.555 2.698 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.797 2.526 3.693 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.687 3.187 2.510 1.00 0.00 H new ATOM 0 HE ARG A 90 4.002 2.750 4.605 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.201 4.230 4.388 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.912 5.329 5.741 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.640 4.164 6.343 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.905 5.292 6.842 1.00 0.00 H new ATOM 1387 N VAL A 91 3.091 0.298 -0.944 1.00 0.00 N ATOM 1388 CA VAL A 91 2.016 0.391 -1.924 1.00 0.00 C ATOM 1389 C VAL A 91 1.588 -0.992 -2.404 1.00 0.00 C ATOM 1390 O VAL A 91 0.415 -1.355 -2.320 1.00 0.00 O ATOM 1391 CB VAL A 91 2.436 1.237 -3.140 1.00 0.00 C ATOM 1392 CG1 VAL A 91 1.363 1.194 -4.217 1.00 0.00 C ATOM 1393 CG2 VAL A 91 2.723 2.670 -2.718 1.00 0.00 C ATOM 0 H VAL A 91 4.004 0.595 -1.290 1.00 0.00 H new ATOM 0 HA VAL A 91 1.176 0.876 -1.427 1.00 0.00 H new ATOM 0 HB VAL A 91 3.351 0.815 -3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.678 1.798 -5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.212 0.164 -4.539 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.430 1.590 -3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.018 3.254 -3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.827 3.106 -2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.530 2.679 -1.985 1.00 0.00 H new ATOM 1403 N HIS A 92 2.549 -1.761 -2.907 1.00 0.00 N ATOM 1404 CA HIS A 92 2.272 -3.106 -3.400 1.00 0.00 C ATOM 1405 C HIS A 92 1.662 -3.972 -2.302 1.00 0.00 C ATOM 1406 O HIS A 92 0.968 -4.949 -2.582 1.00 0.00 O ATOM 1407 CB HIS A 92 3.555 -3.754 -3.923 1.00 0.00 C ATOM 1408 CG HIS A 92 3.324 -5.054 -4.629 1.00 0.00 C ATOM 1409 ND1 HIS A 92 3.110 -6.243 -3.965 1.00 0.00 N ATOM 1410 CD2 HIS A 92 3.272 -5.347 -5.949 1.00 0.00 C ATOM 1411 CE1 HIS A 92 2.939 -7.213 -4.846 1.00 0.00 C ATOM 1412 NE2 HIS A 92 3.031 -6.695 -6.058 1.00 0.00 N ATOM 0 H HIS A 92 3.525 -1.476 -2.984 1.00 0.00 H new ATOM 0 HA HIS A 92 1.554 -3.027 -4.217 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.050 -3.062 -4.605 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.235 -3.919 -3.088 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.397 -4.651 -6.765 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.755 -8.252 -4.615 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.938 -7.212 -6.932 1.00 0.00 H new ATOM 1421 N SER A 93 1.926 -3.607 -1.051 1.00 0.00 N ATOM 1422 CA SER A 93 1.407 -4.353 0.089 1.00 0.00 C ATOM 1423 C SER A 93 -0.063 -4.022 0.331 1.00 0.00 C ATOM 1424 O SER A 93 -0.927 -4.897 0.265 1.00 0.00 O ATOM 1425 CB SER A 93 2.225 -4.043 1.344 1.00 0.00 C ATOM 1426 OG SER A 93 2.573 -2.671 1.399 1.00 0.00 O ATOM 0 H SER A 93 2.496 -2.799 -0.802 1.00 0.00 H new ATOM 0 HA SER A 93 1.490 -5.416 -0.136 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.652 -4.312 2.231 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.129 -4.652 1.352 1.00 0.00 H new ATOM 0 HG SER A 93 3.413 -2.527 0.915 1.00 0.00 H new ATOM 1432 N TYR A 94 -0.338 -2.753 0.611 1.00 0.00 N ATOM 1433 CA TYR A 94 -1.702 -2.306 0.866 1.00 0.00 C ATOM 1434 C TYR A 94 -2.655 -2.826 -0.205 1.00 0.00 C ATOM 1435 O TYR A 94 -3.842 -3.034 0.050 1.00 0.00 O ATOM 1436 CB TYR A 94 -1.759 -0.778 0.916 1.00 0.00 C ATOM 1437 CG TYR A 94 -3.082 -0.206 0.460 1.00 0.00 C ATOM 1438 CD1 TYR A 94 -3.342 0.004 -0.889 1.00 0.00 C ATOM 1439 CD2 TYR A 94 -4.072 0.124 1.377 1.00 0.00 C ATOM 1440 CE1 TYR A 94 -4.549 0.528 -1.310 1.00 0.00 C ATOM 1441 CE2 TYR A 94 -5.282 0.646 0.965 1.00 0.00 C ATOM 1442 CZ TYR A 94 -5.516 0.847 -0.379 1.00 0.00 C ATOM 1443 OH TYR A 94 -6.720 1.367 -0.795 1.00 0.00 O ATOM 0 H TYR A 94 0.365 -2.016 0.667 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.014 -2.707 1.830 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.563 -0.449 1.936 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.963 -0.373 0.292 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.588 -0.247 -1.620 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.892 -0.030 2.431 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.735 0.687 -2.362 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.041 0.896 1.691 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.290 1.536 -0.016 1.00 0.00 H new ATOM 1453 N LEU A 95 -2.127 -3.035 -1.406 1.00 0.00 N ATOM 1454 CA LEU A 95 -2.930 -3.532 -2.519 1.00 0.00 C ATOM 1455 C LEU A 95 -3.248 -5.013 -2.341 1.00 0.00 C ATOM 1456 O LEU A 95 -4.406 -5.393 -2.174 1.00 0.00 O ATOM 1457 CB LEU A 95 -2.195 -3.312 -3.842 1.00 0.00 C ATOM 1458 CG LEU A 95 -2.024 -1.857 -4.281 1.00 0.00 C ATOM 1459 CD1 LEU A 95 -1.005 -1.754 -5.405 1.00 0.00 C ATOM 1460 CD2 LEU A 95 -3.360 -1.271 -4.714 1.00 0.00 C ATOM 0 H LEU A 95 -1.147 -2.868 -1.634 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.868 -2.977 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.207 -3.766 -3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.732 -3.846 -4.626 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.655 -1.282 -3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.897 -0.711 -5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.043 -2.134 -5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.343 -2.343 -6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.220 -0.235 -5.023 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.757 -1.848 -5.549 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.061 -1.309 -3.880 1.00 0.00 H new ATOM 1472 N GLU A 96 -2.211 -5.845 -2.377 1.00 0.00 N ATOM 1473 CA GLU A 96 -2.381 -7.284 -2.219 1.00 0.00 C ATOM 1474 C GLU A 96 -3.155 -7.604 -0.943 1.00 0.00 C ATOM 1475 O GLU A 96 -4.066 -8.431 -0.948 1.00 0.00 O ATOM 1476 CB GLU A 96 -1.019 -7.981 -2.190 1.00 0.00 C ATOM 1477 CG GLU A 96 -1.107 -9.480 -1.957 1.00 0.00 C ATOM 1478 CD GLU A 96 0.252 -10.118 -1.742 1.00 0.00 C ATOM 1479 OE1 GLU A 96 1.132 -9.944 -2.611 1.00 0.00 O ATOM 1480 OE2 GLU A 96 0.436 -10.790 -0.706 1.00 0.00 O ATOM 0 H GLU A 96 -1.245 -5.547 -2.514 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.952 -7.652 -3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.507 -7.798 -3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.409 -7.535 -1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.736 -9.672 -1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.593 -9.949 -2.813 1.00 0.00 H new ATOM 1487 N ARG A 97 -2.784 -6.942 0.148 1.00 0.00 N ATOM 1488 CA ARG A 97 -3.441 -7.156 1.432 1.00 0.00 C ATOM 1489 C ARG A 97 -4.954 -7.004 1.300 1.00 0.00 C ATOM 1490 O ARG A 97 -5.718 -7.820 1.818 1.00 0.00 O ATOM 1491 CB ARG A 97 -2.908 -6.169 2.473 1.00 0.00 C ATOM 1492 CG ARG A 97 -1.612 -6.618 3.129 1.00 0.00 C ATOM 1493 CD ARG A 97 -1.206 -5.682 4.257 1.00 0.00 C ATOM 1494 NE ARG A 97 -1.994 -5.907 5.466 1.00 0.00 N ATOM 1495 CZ ARG A 97 -1.743 -6.879 6.336 1.00 0.00 C ATOM 1496 NH1 ARG A 97 -0.731 -7.710 6.132 1.00 0.00 N ATOM 1497 NH2 ARG A 97 -2.505 -7.019 7.413 1.00 0.00 N ATOM 0 H ARG A 97 -2.032 -6.253 0.169 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.222 -8.172 1.759 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.748 -5.202 1.996 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.664 -6.023 3.244 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -1.731 -7.629 3.519 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.819 -6.656 2.382 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.149 -5.823 4.482 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -1.328 -4.649 3.932 1.00 0.00 H new ATOM 0 HE ARG A 97 -2.780 -5.284 5.652 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.143 -7.604 5.305 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.540 -8.456 6.802 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -3.284 -6.380 7.573 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -2.312 -7.765 8.081 1.00 0.00 H new ATOM 1511 N HIS A 98 -5.380 -5.955 0.605 1.00 0.00 N ATOM 1512 CA HIS A 98 -6.802 -5.696 0.405 1.00 0.00 C ATOM 1513 C HIS A 98 -7.353 -6.546 -0.735 1.00 0.00 C ATOM 1514 O HIS A 98 -8.449 -6.296 -1.235 1.00 0.00 O ATOM 1515 CB HIS A 98 -7.036 -4.214 0.111 1.00 0.00 C ATOM 1516 CG HIS A 98 -6.687 -3.314 1.256 1.00 0.00 C ATOM 1517 ND1 HIS A 98 -7.203 -2.043 1.398 1.00 0.00 N ATOM 1518 CD2 HIS A 98 -5.870 -3.507 2.317 1.00 0.00 C ATOM 1519 CE1 HIS A 98 -6.717 -1.493 2.497 1.00 0.00 C ATOM 1520 NE2 HIS A 98 -5.906 -2.362 3.073 1.00 0.00 N ATOM 0 H HIS A 98 -4.761 -5.270 0.171 1.00 0.00 H new ATOM 0 HA HIS A 98 -7.327 -5.964 1.322 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -6.446 -3.927 -0.759 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -8.083 -4.065 -0.151 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -5.296 -4.397 2.530 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -6.944 -0.502 2.862 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -5.390 -2.207 3.939 1.00 0.00 H new ATOM 1529 N GLY A 99 -6.585 -7.553 -1.142 1.00 0.00 N ATOM 1530 CA GLY A 99 -7.014 -8.424 -2.221 1.00 0.00 C ATOM 1531 C GLY A 99 -7.265 -7.669 -3.511 1.00 0.00 C ATOM 1532 O GLY A 99 -8.242 -7.932 -4.214 1.00 0.00 O ATOM 0 H GLY A 99 -5.674 -7.781 -0.744 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.254 -9.187 -2.392 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.925 -8.943 -1.924 1.00 0.00 H new ATOM 1536 N LEU A 100 -6.383 -6.726 -3.824 1.00 0.00 N ATOM 1537 CA LEU A 100 -6.514 -5.928 -5.038 1.00 0.00 C ATOM 1538 C LEU A 100 -5.606 -6.462 -6.141 1.00 0.00 C ATOM 1539 O LEU A 100 -5.770 -6.121 -7.313 1.00 0.00 O ATOM 1540 CB LEU A 100 -6.178 -4.464 -4.749 1.00 0.00 C ATOM 1541 CG LEU A 100 -7.069 -3.760 -3.725 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -7.117 -2.265 -3.997 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -8.471 -4.352 -3.742 1.00 0.00 C ATOM 0 H LEU A 100 -5.569 -6.495 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.547 -5.996 -5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.147 -4.411 -4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.227 -3.909 -5.686 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.642 -3.914 -2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.756 -1.781 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.111 -1.851 -3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.519 -2.089 -4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.091 -3.839 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.906 -4.229 -4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.421 -5.413 -3.497 1.00 0.00 H new ATOM 1555 N ILE A 101 -4.649 -7.301 -5.758 1.00 0.00 N ATOM 1556 CA ILE A 101 -3.717 -7.884 -6.715 1.00 0.00 C ATOM 1557 C ILE A 101 -3.225 -9.247 -6.242 1.00 0.00 C ATOM 1558 O ILE A 101 -3.049 -9.474 -5.046 1.00 0.00 O ATOM 1559 CB ILE A 101 -2.504 -6.966 -6.951 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -1.782 -6.689 -5.631 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -2.944 -5.664 -7.604 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -0.359 -6.208 -5.810 1.00 0.00 C ATOM 0 H ILE A 101 -4.499 -7.592 -4.792 1.00 0.00 H new ATOM 0 HA ILE A 101 -4.260 -8.002 -7.653 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.810 -7.471 -7.624 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.342 -5.941 -5.070 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.777 -7.599 -5.031 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.075 -5.026 -7.764 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.418 -5.879 -8.562 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.655 -5.153 -6.954 1.00 0.00 H new ATOM 0 HD11 ILE A 101 0.091 -6.032 -4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.216 -6.965 -6.343 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.358 -5.281 -6.383 1.00 0.00 H new ATOM 1574 N ASN A 102 -3.001 -10.152 -7.190 1.00 0.00 N ATOM 1575 CA ASN A 102 -2.527 -11.493 -6.870 1.00 0.00 C ATOM 1576 C ASN A 102 -3.559 -12.252 -6.040 1.00 0.00 C ATOM 1577 O ASN A 102 -3.254 -12.750 -4.956 1.00 0.00 O ATOM 1578 CB ASN A 102 -1.200 -11.420 -6.112 1.00 0.00 C ATOM 1579 CG ASN A 102 -0.120 -10.709 -6.904 1.00 0.00 C ATOM 1580 OD1 ASN A 102 -0.392 -10.102 -7.939 1.00 0.00 O ATOM 1581 ND2 ASN A 102 1.114 -10.782 -6.419 1.00 0.00 N ATOM 0 H ASN A 102 -3.140 -9.980 -8.186 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.374 -12.030 -7.806 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.353 -10.902 -5.166 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -0.866 -12.429 -5.872 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.882 -10.323 -6.909 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.293 -11.297 -5.557 1.00 0.00 H new ATOM 1588 N PHE A 103 -4.780 -12.336 -6.558 1.00 0.00 N ATOM 1589 CA PHE A 103 -5.857 -13.033 -5.865 1.00 0.00 C ATOM 1590 C PHE A 103 -6.420 -14.158 -6.728 1.00 0.00 C ATOM 1591 O PHE A 103 -7.627 -14.397 -6.747 1.00 0.00 O ATOM 1592 CB PHE A 103 -6.972 -12.053 -5.494 1.00 0.00 C ATOM 1593 CG PHE A 103 -7.310 -11.086 -6.592 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -7.851 -11.535 -7.786 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -7.086 -9.728 -6.431 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -8.164 -10.648 -8.799 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -7.398 -8.837 -7.440 1.00 0.00 C ATOM 1598 CZ PHE A 103 -7.936 -9.297 -8.626 1.00 0.00 C ATOM 0 H PHE A 103 -5.048 -11.930 -7.455 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.447 -13.468 -4.953 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -7.867 -12.616 -5.229 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.673 -11.494 -4.607 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.030 -12.591 -7.927 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.663 -9.362 -5.507 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.586 -11.011 -9.724 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.221 -7.781 -7.301 1.00 0.00 H new ATOM 0 HZ PHE A 103 -8.178 -8.602 -9.416 1.00 0.00 H new ATOM 1608 N GLY A 104 -5.536 -14.847 -7.444 1.00 0.00 N ATOM 1609 CA GLY A 104 -5.963 -15.938 -8.301 1.00 0.00 C ATOM 1610 C GLY A 104 -4.795 -16.725 -8.861 1.00 0.00 C ATOM 1611 O GLY A 104 -4.776 -17.954 -8.790 1.00 0.00 O ATOM 0 H GLY A 104 -4.532 -14.669 -7.446 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.611 -16.608 -7.736 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.556 -15.539 -9.124 1.00 0.00 H new ATOM 1615 N ILE A 105 -3.821 -16.017 -9.422 1.00 0.00 N ATOM 1616 CA ILE A 105 -2.645 -16.658 -9.998 1.00 0.00 C ATOM 1617 C ILE A 105 -2.254 -17.902 -9.207 1.00 0.00 C ATOM 1618 O ILE A 105 -1.778 -18.886 -9.772 1.00 0.00 O ATOM 1619 CB ILE A 105 -1.445 -15.695 -10.045 1.00 0.00 C ATOM 1620 CG1 ILE A 105 -0.896 -15.459 -8.637 1.00 0.00 C ATOM 1621 CG2 ILE A 105 -1.848 -14.377 -10.690 1.00 0.00 C ATOM 1622 CD1 ILE A 105 -1.814 -14.634 -7.761 1.00 0.00 C ATOM 0 H ILE A 105 -3.823 -14.999 -9.490 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.909 -16.946 -11.016 1.00 0.00 H new ATOM 0 HB ILE A 105 -0.659 -16.148 -10.649 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.719 -16.422 -8.158 1.00 0.00 H new ATOM 0 HG13 ILE A 105 0.069 -14.958 -8.711 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -0.989 -13.707 -10.716 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.196 -14.561 -11.707 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.649 -13.918 -10.110 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.361 -14.507 -6.778 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -1.971 -13.657 -8.217 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.772 -15.144 -7.656 1.00 0.00 H new