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 79:sc= -0.826 USER MOD Set 1.2: A 92 HIS : no HD1:sc= -3.49! C(o=-4.3!,f=-4.8!) USER MOD Set 2.1: A 24 HIS : no HD1:sc= -4.04 K(o=-6.3,f=-8.7!) USER MOD Set 2.2: A 54 ASN : amide:sc= -2.28 K(o=-6.3,f=-5.6) USER MOD Set 3.1: A 19 GLN : amide:sc= -0.775 X(o=-1.3,f=-1.5) USER MOD Set 3.2: A 20 SER OG : rot 80:sc= -0.529 USER MOD Single : A 27 MET CE :methyl -165:sc= -1.59 (180deg=-2.58) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.028) USER MOD Single : A 34 CYS SG : rot -150:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.127 K(o=-0.13,f=-1.9!) USER MOD Single : A 44 GLN : amide:sc= -0.855 K(o=-0.86,f=-4.8!) USER MOD Single : A 45 THR OG1 : rot -160:sc= -0.723 USER MOD Single : A 46 GLN : amide:sc= 0.0121 K(o=0.012,f=-0.76) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 64:sc= 0.956 USER MOD Single : A 58 GLN : amide:sc= -1.75 K(o=-1.7,f=-5.8!) USER MOD Single : A 63 ASN : amide:sc= -3.59! C(o=-3.6!,f=-4.8!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -1.74! K(o=-1.7!,f=-2.5) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00133 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -4.46! C(o=-4.5!,f=-3.2!) USER MOD Single : A 81 TYR OH : rot -109:sc= 0.707 USER MOD Single : A 82 ASN : amide:sc= -4.66! C(o=-4.7!,f=-5.6!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0325 USER MOD Single : A 89 HIS : no HD1:sc=-0.00876 X(o=-0.0088,f=-0.33) USER MOD Single : A 93 SER OG : rot 160:sc= -1.4 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= -6.9! C(o=-6.9!,f=-4.6!) USER MOD Single : A 102 ASN : amide:sc= -3.95! C(o=-4!,f=-7.8!) USER MOD ----------------------------------------------------------------- ATOM 128 N VAL A 13 -2.938 4.939 -17.331 1.00 0.00 N ATOM 129 CA VAL A 13 -2.796 4.644 -15.910 1.00 0.00 C ATOM 130 C VAL A 13 -4.096 4.909 -15.161 1.00 0.00 C ATOM 131 O VAL A 13 -4.660 4.009 -14.539 1.00 0.00 O ATOM 132 CB VAL A 13 -1.669 5.480 -15.274 1.00 0.00 C ATOM 133 CG1 VAL A 13 -1.578 5.204 -13.781 1.00 0.00 C ATOM 134 CG2 VAL A 13 -0.342 5.194 -15.959 1.00 0.00 C ATOM 0 HA VAL A 13 -2.544 3.587 -15.829 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.902 6.536 -15.411 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.777 5.803 -13.348 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.523 5.464 -13.305 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.369 4.147 -13.619 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.443 5.793 -15.497 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.100 4.136 -15.855 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.416 5.447 -17.017 1.00 0.00 H new ATOM 144 N GLU A 14 -4.568 6.150 -15.224 1.00 0.00 N ATOM 145 CA GLU A 14 -5.803 6.533 -14.550 1.00 0.00 C ATOM 146 C GLU A 14 -6.895 5.493 -14.783 1.00 0.00 C ATOM 147 O GLU A 14 -7.606 5.106 -13.857 1.00 0.00 O ATOM 148 CB GLU A 14 -6.275 7.903 -15.043 1.00 0.00 C ATOM 149 CG GLU A 14 -5.249 9.007 -14.846 1.00 0.00 C ATOM 150 CD GLU A 14 -5.460 10.174 -15.791 1.00 0.00 C ATOM 151 OE1 GLU A 14 -6.486 10.873 -15.651 1.00 0.00 O ATOM 152 OE2 GLU A 14 -4.600 10.388 -16.671 1.00 0.00 O ATOM 0 H GLU A 14 -4.114 6.907 -15.735 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.601 6.589 -13.480 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.522 7.833 -16.102 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.192 8.173 -14.519 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.298 9.364 -13.817 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.249 8.600 -14.995 1.00 0.00 H new ATOM 159 N GLY A 15 -7.021 5.045 -16.028 1.00 0.00 N ATOM 160 CA GLY A 15 -8.028 4.054 -16.361 1.00 0.00 C ATOM 161 C GLY A 15 -8.217 3.027 -15.263 1.00 0.00 C ATOM 162 O GLY A 15 -9.331 2.819 -14.783 1.00 0.00 O ATOM 0 H GLY A 15 -6.444 5.350 -16.812 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.977 4.555 -16.553 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.743 3.547 -17.283 1.00 0.00 H new ATOM 166 N ALA A 16 -7.125 2.382 -14.865 1.00 0.00 N ATOM 167 CA ALA A 16 -7.175 1.371 -13.816 1.00 0.00 C ATOM 168 C ALA A 16 -8.049 1.829 -12.653 1.00 0.00 C ATOM 169 O ALA A 16 -8.957 1.115 -12.228 1.00 0.00 O ATOM 170 CB ALA A 16 -5.771 1.047 -13.327 1.00 0.00 C ATOM 0 H ALA A 16 -6.195 2.542 -15.253 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.619 0.469 -14.237 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.824 0.291 -12.544 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.175 0.669 -14.157 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.307 1.949 -12.929 1.00 0.00 H new ATOM 176 N ALA A 17 -7.769 3.023 -12.143 1.00 0.00 N ATOM 177 CA ALA A 17 -8.531 3.576 -11.030 1.00 0.00 C ATOM 178 C ALA A 17 -10.009 3.221 -11.146 1.00 0.00 C ATOM 179 O ALA A 17 -10.679 2.970 -10.144 1.00 0.00 O ATOM 180 CB ALA A 17 -8.353 5.086 -10.968 1.00 0.00 C ATOM 0 H ALA A 17 -7.020 3.626 -12.483 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.150 3.137 -10.108 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.927 5.486 -10.132 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.298 5.323 -10.830 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.706 5.532 -11.898 1.00 0.00 H new ATOM 186 N PHE A 18 -10.513 3.201 -12.376 1.00 0.00 N ATOM 187 CA PHE A 18 -11.914 2.877 -12.623 1.00 0.00 C ATOM 188 C PHE A 18 -12.361 1.703 -11.757 1.00 0.00 C ATOM 189 O PHE A 18 -13.376 1.781 -11.065 1.00 0.00 O ATOM 190 CB PHE A 18 -12.130 2.547 -14.101 1.00 0.00 C ATOM 191 CG PHE A 18 -13.428 1.842 -14.374 1.00 0.00 C ATOM 192 CD1 PHE A 18 -14.601 2.560 -14.535 1.00 0.00 C ATOM 193 CD2 PHE A 18 -13.473 0.460 -14.471 1.00 0.00 C ATOM 194 CE1 PHE A 18 -15.797 1.913 -14.785 1.00 0.00 C ATOM 195 CE2 PHE A 18 -14.666 -0.192 -14.721 1.00 0.00 C ATOM 196 CZ PHE A 18 -15.829 0.536 -14.880 1.00 0.00 C ATOM 0 H PHE A 18 -9.973 3.405 -13.217 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.515 3.748 -12.361 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -12.098 3.470 -14.680 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -11.307 1.924 -14.450 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -14.581 3.638 -14.464 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -12.566 -0.114 -14.350 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -16.706 2.484 -14.906 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -14.689 -1.269 -14.792 1.00 0.00 H new ATOM 0 HZ PHE A 18 -16.762 0.029 -15.078 1.00 0.00 H new ATOM 206 N GLN A 19 -11.597 0.617 -11.803 1.00 0.00 N ATOM 207 CA GLN A 19 -11.916 -0.574 -11.024 1.00 0.00 C ATOM 208 C GLN A 19 -11.540 -0.382 -9.558 1.00 0.00 C ATOM 209 O GLN A 19 -12.201 -0.910 -8.664 1.00 0.00 O ATOM 210 CB GLN A 19 -11.188 -1.792 -11.594 1.00 0.00 C ATOM 211 CG GLN A 19 -9.724 -1.869 -11.192 1.00 0.00 C ATOM 212 CD GLN A 19 -9.515 -2.616 -9.889 1.00 0.00 C ATOM 213 OE1 GLN A 19 -10.144 -3.645 -9.642 1.00 0.00 O ATOM 214 NE2 GLN A 19 -8.626 -2.100 -9.047 1.00 0.00 N ATOM 0 H GLN A 19 -10.753 0.537 -12.371 1.00 0.00 H new ATOM 0 HA GLN A 19 -12.991 -0.741 -11.086 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.696 -2.697 -11.261 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.257 -1.770 -12.682 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.159 -2.362 -11.983 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.324 -0.860 -11.096 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.127 -1.245 -9.293 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.442 -2.559 -8.155 1.00 0.00 H new ATOM 223 N SER A 20 -10.475 0.376 -9.320 1.00 0.00 N ATOM 224 CA SER A 20 -10.008 0.634 -7.962 1.00 0.00 C ATOM 225 C SER A 20 -11.044 1.430 -7.174 1.00 0.00 C ATOM 226 O SER A 20 -11.069 1.391 -5.944 1.00 0.00 O ATOM 227 CB SER A 20 -8.680 1.392 -7.992 1.00 0.00 C ATOM 228 OG SER A 20 -7.733 0.729 -8.812 1.00 0.00 O ATOM 0 H SER A 20 -9.919 0.822 -10.049 1.00 0.00 H new ATOM 0 HA SER A 20 -9.859 -0.325 -7.467 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.843 2.403 -8.364 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.287 1.485 -6.979 1.00 0.00 H new ATOM 0 HG SER A 20 -7.912 0.938 -9.753 1.00 0.00 H new ATOM 234 N ARG A 21 -11.897 2.153 -7.893 1.00 0.00 N ATOM 235 CA ARG A 21 -12.934 2.960 -7.262 1.00 0.00 C ATOM 236 C ARG A 21 -12.326 3.949 -6.271 1.00 0.00 C ATOM 237 O ARG A 21 -12.782 4.063 -5.132 1.00 0.00 O ATOM 238 CB ARG A 21 -13.945 2.062 -6.547 1.00 0.00 C ATOM 239 CG ARG A 21 -14.732 1.163 -7.486 1.00 0.00 C ATOM 240 CD ARG A 21 -15.673 1.967 -8.369 1.00 0.00 C ATOM 241 NE ARG A 21 -16.771 2.554 -7.607 1.00 0.00 N ATOM 242 CZ ARG A 21 -17.894 1.906 -7.318 1.00 0.00 C ATOM 243 NH1 ARG A 21 -18.066 0.656 -7.725 1.00 0.00 N ATOM 244 NH2 ARG A 21 -18.848 2.509 -6.620 1.00 0.00 N ATOM 0 H ARG A 21 -11.890 2.196 -8.912 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.446 3.522 -8.043 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.418 1.443 -5.821 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.641 2.687 -5.987 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.042 0.595 -8.110 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.305 0.441 -6.905 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.114 2.759 -8.868 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.077 1.322 -9.149 1.00 0.00 H new ATOM 0 HE ARG A 21 -16.670 3.514 -7.278 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.335 0.189 -8.262 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.929 0.161 -7.501 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -18.719 3.471 -6.305 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -19.710 2.011 -6.398 1.00 0.00 H new ATOM 258 N LEU A 22 -11.296 4.662 -6.712 1.00 0.00 N ATOM 259 CA LEU A 22 -10.624 5.641 -5.864 1.00 0.00 C ATOM 260 C LEU A 22 -10.018 6.762 -6.703 1.00 0.00 C ATOM 261 O LEU A 22 -9.666 6.578 -7.868 1.00 0.00 O ATOM 262 CB LEU A 22 -9.533 4.963 -5.033 1.00 0.00 C ATOM 263 CG LEU A 22 -8.413 4.284 -5.822 1.00 0.00 C ATOM 264 CD1 LEU A 22 -7.522 5.323 -6.486 1.00 0.00 C ATOM 265 CD2 LEU A 22 -7.595 3.378 -4.914 1.00 0.00 C ATOM 0 H LEU A 22 -10.908 4.581 -7.652 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.366 6.074 -5.193 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.087 5.710 -4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.003 4.217 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.864 3.671 -6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.731 4.821 -7.043 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.117 5.930 -7.168 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.079 5.963 -5.723 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.802 2.903 -5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.154 3.969 -4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.242 2.612 -4.487 1.00 0.00 H new ATOM 277 N PRO A 23 -9.891 7.952 -6.097 1.00 0.00 N ATOM 278 CA PRO A 23 -9.325 9.126 -6.768 1.00 0.00 C ATOM 279 C PRO A 23 -7.827 8.984 -7.019 1.00 0.00 C ATOM 280 O PRO A 23 -7.088 8.495 -6.164 1.00 0.00 O ATOM 281 CB PRO A 23 -9.595 10.264 -5.781 1.00 0.00 C ATOM 282 CG PRO A 23 -9.691 9.598 -4.452 1.00 0.00 C ATOM 283 CD PRO A 23 -10.290 8.243 -4.709 1.00 0.00 C ATOM 0 HA PRO A 23 -9.765 9.284 -7.753 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.792 11.001 -5.797 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.517 10.791 -6.027 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -8.708 9.509 -3.989 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.314 10.177 -3.770 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.906 7.495 -4.015 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.374 8.255 -4.596 1.00 0.00 H new ATOM 291 N HIS A 24 -7.386 9.413 -8.197 1.00 0.00 N ATOM 292 CA HIS A 24 -5.975 9.334 -8.560 1.00 0.00 C ATOM 293 C HIS A 24 -5.264 10.650 -8.262 1.00 0.00 C ATOM 294 O HIS A 24 -4.043 10.751 -8.393 1.00 0.00 O ATOM 295 CB HIS A 24 -5.827 8.985 -10.041 1.00 0.00 C ATOM 296 CG HIS A 24 -4.567 9.510 -10.657 1.00 0.00 C ATOM 297 ND1 HIS A 24 -3.309 9.148 -10.222 1.00 0.00 N ATOM 298 CD2 HIS A 24 -4.375 10.373 -11.682 1.00 0.00 C ATOM 299 CE1 HIS A 24 -2.399 9.768 -10.952 1.00 0.00 C ATOM 300 NE2 HIS A 24 -3.020 10.517 -11.845 1.00 0.00 N ATOM 0 H HIS A 24 -7.985 9.819 -8.916 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.514 8.548 -7.961 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.853 7.901 -10.155 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.682 9.384 -10.587 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.145 10.858 -12.263 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.329 9.678 -10.838 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -2.566 11.107 -12.543 1.00 0.00 H new ATOM 309 N ASP A 25 -6.033 11.656 -7.862 1.00 0.00 N ATOM 310 CA ASP A 25 -5.476 12.966 -7.545 1.00 0.00 C ATOM 311 C ASP A 25 -5.226 13.103 -6.047 1.00 0.00 C ATOM 312 O ASP A 25 -4.402 13.910 -5.616 1.00 0.00 O ATOM 313 CB ASP A 25 -6.419 14.073 -8.020 1.00 0.00 C ATOM 314 CG ASP A 25 -7.690 14.145 -7.197 1.00 0.00 C ATOM 315 OD1 ASP A 25 -7.603 14.497 -6.002 1.00 0.00 O ATOM 316 OD2 ASP A 25 -8.771 13.847 -7.747 1.00 0.00 O ATOM 0 H ASP A 25 -7.045 11.590 -7.749 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.523 13.063 -8.064 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.903 15.032 -7.970 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.676 13.903 -9.066 1.00 0.00 H new ATOM 321 N ARG A 26 -5.943 12.309 -5.258 1.00 0.00 N ATOM 322 CA ARG A 26 -5.801 12.343 -3.807 1.00 0.00 C ATOM 323 C ARG A 26 -5.872 10.936 -3.221 1.00 0.00 C ATOM 324 O ARG A 26 -6.113 9.966 -3.938 1.00 0.00 O ATOM 325 CB ARG A 26 -6.889 13.221 -3.187 1.00 0.00 C ATOM 326 CG ARG A 26 -8.282 12.621 -3.280 1.00 0.00 C ATOM 327 CD ARG A 26 -9.359 13.683 -3.115 1.00 0.00 C ATOM 328 NE ARG A 26 -9.292 14.332 -1.808 1.00 0.00 N ATOM 329 CZ ARG A 26 -10.327 14.932 -1.232 1.00 0.00 C ATOM 330 NH1 ARG A 26 -11.503 14.966 -1.844 1.00 0.00 N ATOM 331 NH2 ARG A 26 -10.187 15.501 -0.041 1.00 0.00 N ATOM 0 H ARG A 26 -6.628 11.634 -5.599 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.825 12.767 -3.572 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.648 13.398 -2.139 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.887 14.192 -3.683 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.402 12.126 -4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.402 11.857 -2.512 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.251 14.433 -3.898 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.341 13.227 -3.243 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.401 14.324 -1.311 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.614 14.530 -2.760 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.296 15.428 -1.399 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.284 15.478 0.432 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.983 15.962 0.401 1.00 0.00 H new ATOM 345 N MET A 27 -5.660 10.834 -1.913 1.00 0.00 N ATOM 346 CA MET A 27 -5.701 9.546 -1.230 1.00 0.00 C ATOM 347 C MET A 27 -7.048 9.335 -0.547 1.00 0.00 C ATOM 348 O MET A 27 -7.789 10.289 -0.304 1.00 0.00 O ATOM 349 CB MET A 27 -4.573 9.454 -0.201 1.00 0.00 C ATOM 350 CG MET A 27 -3.191 9.681 -0.792 1.00 0.00 C ATOM 351 SD MET A 27 -2.003 10.276 0.428 1.00 0.00 S ATOM 352 CE MET A 27 -1.776 8.805 1.424 1.00 0.00 C ATOM 0 H MET A 27 -5.458 11.628 -1.305 1.00 0.00 H new ATOM 0 HA MET A 27 -5.566 8.763 -1.976 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.748 10.189 0.585 1.00 0.00 H new ATOM 0 HB3 MET A 27 -4.601 8.471 0.270 1.00 0.00 H new ATOM 0 HG2 MET A 27 -2.827 8.749 -1.223 1.00 0.00 H new ATOM 0 HG3 MET A 27 -3.262 10.402 -1.606 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.289 9.072 2.362 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.746 8.355 1.635 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.155 8.091 0.883 1.00 0.00 H new ATOM 362 N THR A 28 -7.360 8.081 -0.237 1.00 0.00 N ATOM 363 CA THR A 28 -8.618 7.745 0.417 1.00 0.00 C ATOM 364 C THR A 28 -8.438 7.626 1.926 1.00 0.00 C ATOM 365 O THR A 28 -7.352 7.302 2.408 1.00 0.00 O ATOM 366 CB THR A 28 -9.199 6.425 -0.125 1.00 0.00 C ATOM 367 OG1 THR A 28 -8.191 5.408 -0.119 1.00 0.00 O ATOM 368 CG2 THR A 28 -9.733 6.609 -1.537 1.00 0.00 C ATOM 0 H THR A 28 -6.758 7.280 -0.429 1.00 0.00 H new ATOM 0 HA THR A 28 -9.314 8.555 0.199 1.00 0.00 H new ATOM 0 HB THR A 28 -10.023 6.123 0.521 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.568 4.572 -0.463 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.138 5.664 -1.899 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.520 7.363 -1.533 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.924 6.932 -2.193 1.00 0.00 H new ATOM 376 N SER A 29 -9.509 7.889 2.668 1.00 0.00 N ATOM 377 CA SER A 29 -9.468 7.814 4.123 1.00 0.00 C ATOM 378 C SER A 29 -8.559 6.679 4.584 1.00 0.00 C ATOM 379 O SER A 29 -7.868 6.795 5.595 1.00 0.00 O ATOM 380 CB SER A 29 -10.877 7.613 4.685 1.00 0.00 C ATOM 381 OG SER A 29 -10.975 8.110 6.008 1.00 0.00 O ATOM 0 H SER A 29 -10.416 8.156 2.285 1.00 0.00 H new ATOM 0 HA SER A 29 -9.065 8.755 4.498 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.602 8.121 4.048 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.129 6.553 4.672 1.00 0.00 H new ATOM 0 HG SER A 29 -11.885 7.971 6.343 1.00 0.00 H new ATOM 387 N GLN A 30 -8.566 5.582 3.833 1.00 0.00 N ATOM 388 CA GLN A 30 -7.742 4.425 4.164 1.00 0.00 C ATOM 389 C GLN A 30 -6.278 4.684 3.825 1.00 0.00 C ATOM 390 O GLN A 30 -5.406 4.587 4.687 1.00 0.00 O ATOM 391 CB GLN A 30 -8.240 3.187 3.415 1.00 0.00 C ATOM 392 CG GLN A 30 -9.294 2.399 4.176 1.00 0.00 C ATOM 393 CD GLN A 30 -10.693 2.943 3.966 1.00 0.00 C ATOM 394 OE1 GLN A 30 -11.397 3.264 4.925 1.00 0.00 O ATOM 395 NE2 GLN A 30 -11.105 3.050 2.709 1.00 0.00 N ATOM 0 H GLN A 30 -9.132 5.470 2.992 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.822 4.249 5.237 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.652 3.495 2.454 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.393 2.535 3.204 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.262 1.357 3.859 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.057 2.416 5.240 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.489 2.772 1.945 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -12.038 3.410 2.507 1.00 0.00 H new ATOM 404 N GLU A 31 -6.017 5.015 2.564 1.00 0.00 N ATOM 405 CA GLU A 31 -4.657 5.287 2.112 1.00 0.00 C ATOM 406 C GLU A 31 -3.981 6.318 3.012 1.00 0.00 C ATOM 407 O GLU A 31 -2.816 6.168 3.378 1.00 0.00 O ATOM 408 CB GLU A 31 -4.667 5.784 0.665 1.00 0.00 C ATOM 409 CG GLU A 31 -5.136 4.740 -0.334 1.00 0.00 C ATOM 410 CD GLU A 31 -4.099 3.662 -0.582 1.00 0.00 C ATOM 411 OE1 GLU A 31 -3.718 2.971 0.386 1.00 0.00 O ATOM 412 OE2 GLU A 31 -3.668 3.510 -1.744 1.00 0.00 O ATOM 0 H GLU A 31 -6.728 5.101 1.838 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.090 4.357 2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.314 6.658 0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.662 6.108 0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.053 4.279 0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.379 5.229 -1.277 1.00 0.00 H new ATOM 419 N ALA A 32 -4.721 7.364 3.363 1.00 0.00 N ATOM 420 CA ALA A 32 -4.195 8.419 4.220 1.00 0.00 C ATOM 421 C ALA A 32 -3.731 7.857 5.560 1.00 0.00 C ATOM 422 O ALA A 32 -2.718 8.291 6.107 1.00 0.00 O ATOM 423 CB ALA A 32 -5.245 9.499 4.434 1.00 0.00 C ATOM 0 H ALA A 32 -5.687 7.504 3.067 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.332 8.861 3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.838 10.280 5.076 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.526 9.929 3.473 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.125 9.063 4.907 1.00 0.00 H new ATOM 429 N ALA A 33 -4.479 6.891 6.082 1.00 0.00 N ATOM 430 CA ALA A 33 -4.143 6.270 7.357 1.00 0.00 C ATOM 431 C ALA A 33 -2.916 5.374 7.225 1.00 0.00 C ATOM 432 O ALA A 33 -2.036 5.379 8.086 1.00 0.00 O ATOM 433 CB ALA A 33 -5.327 5.473 7.884 1.00 0.00 C ATOM 0 H ALA A 33 -5.322 6.521 5.642 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.907 7.062 8.068 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.062 5.015 8.837 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.179 6.138 8.026 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.590 4.695 7.168 1.00 0.00 H new ATOM 439 N CYS A 34 -2.866 4.604 6.143 1.00 0.00 N ATOM 440 CA CYS A 34 -1.747 3.701 5.899 1.00 0.00 C ATOM 441 C CYS A 34 -0.464 4.483 5.635 1.00 0.00 C ATOM 442 O CYS A 34 0.606 4.123 6.126 1.00 0.00 O ATOM 443 CB CYS A 34 -2.054 2.785 4.713 1.00 0.00 C ATOM 444 SG CYS A 34 -2.880 1.242 5.167 1.00 0.00 S ATOM 0 H CYS A 34 -3.587 4.587 5.422 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.602 3.092 6.791 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.681 3.325 4.003 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.122 2.548 4.200 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.552 0.309 4.323 1.00 0.00 H new ATOM 450 N PHE A 35 -0.580 5.553 4.855 1.00 0.00 N ATOM 451 CA PHE A 35 0.572 6.384 4.524 1.00 0.00 C ATOM 452 C PHE A 35 0.358 7.821 4.991 1.00 0.00 C ATOM 453 O PHE A 35 -0.123 8.677 4.248 1.00 0.00 O ATOM 454 CB PHE A 35 0.827 6.360 3.015 1.00 0.00 C ATOM 455 CG PHE A 35 0.802 4.978 2.425 1.00 0.00 C ATOM 456 CD1 PHE A 35 -0.392 4.287 2.298 1.00 0.00 C ATOM 457 CD2 PHE A 35 1.971 4.372 1.998 1.00 0.00 C ATOM 458 CE1 PHE A 35 -0.418 3.016 1.756 1.00 0.00 C ATOM 459 CE2 PHE A 35 1.952 3.101 1.455 1.00 0.00 C ATOM 460 CZ PHE A 35 0.755 2.423 1.333 1.00 0.00 C ATOM 0 H PHE A 35 -1.459 5.865 4.441 1.00 0.00 H new ATOM 0 HA PHE A 35 1.442 5.978 5.040 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.075 6.973 2.518 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.796 6.816 2.811 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.313 4.747 2.626 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.909 4.899 2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.355 2.487 1.663 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.871 2.639 1.127 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.736 1.431 0.907 1.00 0.00 H new ATOM 470 N PRO A 36 0.721 8.092 6.253 1.00 0.00 N ATOM 471 CA PRO A 36 0.579 9.424 6.849 1.00 0.00 C ATOM 472 C PRO A 36 1.550 10.435 6.249 1.00 0.00 C ATOM 473 O PRO A 36 1.188 11.585 5.999 1.00 0.00 O ATOM 474 CB PRO A 36 0.900 9.187 8.327 1.00 0.00 C ATOM 475 CG PRO A 36 1.771 7.978 8.337 1.00 0.00 C ATOM 476 CD PRO A 36 1.300 7.120 7.196 1.00 0.00 C ATOM 0 HA PRO A 36 -0.412 9.844 6.675 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.410 10.046 8.764 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.008 9.026 8.908 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.819 8.251 8.213 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.690 7.446 9.285 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.122 6.564 6.745 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.561 6.388 7.522 1.00 0.00 H new ATOM 484 N ASP A 37 2.783 9.998 6.018 1.00 0.00 N ATOM 485 CA ASP A 37 3.806 10.865 5.445 1.00 0.00 C ATOM 486 C ASP A 37 3.401 11.335 4.051 1.00 0.00 C ATOM 487 O ASP A 37 3.684 12.469 3.661 1.00 0.00 O ATOM 488 CB ASP A 37 5.147 10.134 5.380 1.00 0.00 C ATOM 489 CG ASP A 37 5.153 9.026 4.345 1.00 0.00 C ATOM 490 OD1 ASP A 37 4.601 7.943 4.633 1.00 0.00 O ATOM 491 OD2 ASP A 37 5.711 9.240 3.249 1.00 0.00 O ATOM 0 H ASP A 37 3.098 9.049 6.219 1.00 0.00 H new ATOM 0 HA ASP A 37 3.909 11.739 6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.936 10.849 5.147 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.376 9.714 6.359 1.00 0.00 H new ATOM 496 N ILE A 38 2.740 10.457 3.305 1.00 0.00 N ATOM 497 CA ILE A 38 2.297 10.782 1.955 1.00 0.00 C ATOM 498 C ILE A 38 1.161 11.799 1.979 1.00 0.00 C ATOM 499 O ILE A 38 1.236 12.845 1.333 1.00 0.00 O ATOM 500 CB ILE A 38 1.829 9.525 1.198 1.00 0.00 C ATOM 501 CG1 ILE A 38 2.969 8.510 1.097 1.00 0.00 C ATOM 502 CG2 ILE A 38 1.321 9.899 -0.187 1.00 0.00 C ATOM 503 CD1 ILE A 38 4.235 9.081 0.497 1.00 0.00 C ATOM 0 H ILE A 38 2.499 9.515 3.613 1.00 0.00 H new ATOM 0 HA ILE A 38 3.155 11.211 1.436 1.00 0.00 H new ATOM 0 HB ILE A 38 1.009 9.069 1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.190 8.124 2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.640 7.665 0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.994 9.000 -0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.483 10.589 -0.093 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.122 10.376 -0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.000 8.306 0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.030 9.441 -0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.589 9.908 1.113 1.00 0.00 H new ATOM 515 N ILE A 39 0.110 11.487 2.730 1.00 0.00 N ATOM 516 CA ILE A 39 -1.040 12.375 2.842 1.00 0.00 C ATOM 517 C ILE A 39 -0.656 13.692 3.507 1.00 0.00 C ATOM 518 O ILE A 39 -1.293 14.721 3.284 1.00 0.00 O ATOM 519 CB ILE A 39 -2.181 11.721 3.643 1.00 0.00 C ATOM 520 CG1 ILE A 39 -3.417 12.623 3.642 1.00 0.00 C ATOM 521 CG2 ILE A 39 -1.730 11.434 5.068 1.00 0.00 C ATOM 522 CD1 ILE A 39 -4.153 12.638 2.320 1.00 0.00 C ATOM 0 H ILE A 39 0.031 10.625 3.270 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.386 12.571 1.827 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.444 10.776 3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.099 12.292 4.425 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.115 13.640 3.892 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.547 10.972 5.622 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.875 10.758 5.050 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.444 12.367 5.554 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.018 13.298 2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.486 12.998 1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.486 11.629 2.078 1.00 0.00 H new ATOM 534 N SER A 40 0.392 13.652 4.325 1.00 0.00 N ATOM 535 CA SER A 40 0.861 14.841 5.025 1.00 0.00 C ATOM 536 C SER A 40 2.119 15.399 4.366 1.00 0.00 C ATOM 537 O SER A 40 2.997 15.939 5.037 1.00 0.00 O ATOM 538 CB SER A 40 1.141 14.517 6.494 1.00 0.00 C ATOM 539 OG SER A 40 -0.054 14.194 7.182 1.00 0.00 O ATOM 0 H SER A 40 0.932 12.808 4.519 1.00 0.00 H new ATOM 0 HA SER A 40 0.078 15.597 4.970 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.839 13.682 6.559 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.620 15.371 6.973 1.00 0.00 H new ATOM 0 HG SER A 40 0.152 13.989 8.118 1.00 0.00 H new ATOM 545 N GLY A 41 2.198 15.264 3.046 1.00 0.00 N ATOM 546 CA GLY A 41 3.351 15.758 2.317 1.00 0.00 C ATOM 547 C GLY A 41 2.966 16.692 1.187 1.00 0.00 C ATOM 548 O GLY A 41 1.794 17.013 0.990 1.00 0.00 O ATOM 0 H GLY A 41 1.484 14.821 2.468 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.016 16.280 3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.910 14.914 1.912 1.00 0.00 H new ATOM 552 N PRO A 42 3.970 17.147 0.422 1.00 0.00 N ATOM 553 CA PRO A 42 3.755 18.058 -0.706 1.00 0.00 C ATOM 554 C PRO A 42 3.044 17.379 -1.872 1.00 0.00 C ATOM 555 O PRO A 42 3.236 16.189 -2.119 1.00 0.00 O ATOM 556 CB PRO A 42 5.174 18.464 -1.109 1.00 0.00 C ATOM 557 CG PRO A 42 6.035 17.338 -0.651 1.00 0.00 C ATOM 558 CD PRO A 42 5.391 16.807 0.600 1.00 0.00 C ATOM 0 HA PRO A 42 3.117 18.899 -0.435 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.253 18.610 -2.186 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.466 19.403 -0.638 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.103 16.563 -1.414 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.051 17.679 -0.452 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.537 15.732 0.702 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.806 17.272 1.494 1.00 0.00 H new ATOM 566 N GLN A 43 2.223 18.144 -2.584 1.00 0.00 N ATOM 567 CA GLN A 43 1.483 17.614 -3.724 1.00 0.00 C ATOM 568 C GLN A 43 2.318 16.592 -4.487 1.00 0.00 C ATOM 569 O GLN A 43 1.860 15.483 -4.760 1.00 0.00 O ATOM 570 CB GLN A 43 1.065 18.750 -4.660 1.00 0.00 C ATOM 571 CG GLN A 43 0.081 18.321 -5.736 1.00 0.00 C ATOM 572 CD GLN A 43 -0.777 19.468 -6.233 1.00 0.00 C ATOM 573 OE1 GLN A 43 -0.654 20.599 -5.763 1.00 0.00 O ATOM 574 NE2 GLN A 43 -1.652 19.181 -7.190 1.00 0.00 N ATOM 0 H GLN A 43 2.053 19.131 -2.392 1.00 0.00 H new ATOM 0 HA GLN A 43 0.590 17.117 -3.346 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.619 19.550 -4.070 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.954 19.163 -5.136 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.630 17.893 -6.575 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.563 17.535 -5.342 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.720 18.229 -7.550 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -2.256 19.912 -7.565 1.00 0.00 H new ATOM 583 N GLN A 44 3.545 16.973 -4.829 1.00 0.00 N ATOM 584 CA GLN A 44 4.443 16.089 -5.562 1.00 0.00 C ATOM 585 C GLN A 44 4.498 14.710 -4.914 1.00 0.00 C ATOM 586 O GLN A 44 4.241 13.695 -5.564 1.00 0.00 O ATOM 587 CB GLN A 44 5.847 16.692 -5.626 1.00 0.00 C ATOM 588 CG GLN A 44 6.878 15.768 -6.253 1.00 0.00 C ATOM 589 CD GLN A 44 6.644 15.554 -7.736 1.00 0.00 C ATOM 590 OE1 GLN A 44 5.519 15.301 -8.168 1.00 0.00 O ATOM 591 NE2 GLN A 44 7.708 15.653 -8.524 1.00 0.00 N ATOM 0 H GLN A 44 3.939 17.888 -4.610 1.00 0.00 H new ATOM 0 HA GLN A 44 4.056 15.979 -6.575 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.809 17.620 -6.196 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.169 16.950 -4.617 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.874 16.185 -6.103 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.856 14.805 -5.743 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.622 15.864 -8.123 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.612 15.518 -9.530 1.00 0.00 H new ATOM 600 N THR A 45 4.834 14.678 -3.628 1.00 0.00 N ATOM 601 CA THR A 45 4.925 13.424 -2.892 1.00 0.00 C ATOM 602 C THR A 45 3.664 12.587 -3.075 1.00 0.00 C ATOM 603 O THR A 45 3.730 11.436 -3.507 1.00 0.00 O ATOM 604 CB THR A 45 5.150 13.670 -1.388 1.00 0.00 C ATOM 605 OG1 THR A 45 6.415 14.308 -1.180 1.00 0.00 O ATOM 606 CG2 THR A 45 5.103 12.362 -0.613 1.00 0.00 C ATOM 0 H THR A 45 5.048 15.508 -3.075 1.00 0.00 H new ATOM 0 HA THR A 45 5.780 12.882 -3.296 1.00 0.00 H new ATOM 0 HB THR A 45 4.352 14.318 -1.025 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.697 14.179 -0.250 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.264 12.561 0.446 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.129 11.893 -0.750 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.882 11.694 -0.980 1.00 0.00 H new ATOM 614 N GLN A 46 2.517 13.172 -2.745 1.00 0.00 N ATOM 615 CA GLN A 46 1.241 12.479 -2.874 1.00 0.00 C ATOM 616 C GLN A 46 1.111 11.828 -4.247 1.00 0.00 C ATOM 617 O GLN A 46 0.797 10.643 -4.358 1.00 0.00 O ATOM 618 CB GLN A 46 0.083 13.451 -2.645 1.00 0.00 C ATOM 619 CG GLN A 46 -0.034 13.931 -1.207 1.00 0.00 C ATOM 620 CD GLN A 46 -1.223 14.847 -0.993 1.00 0.00 C ATOM 621 OE1 GLN A 46 -1.941 15.181 -1.935 1.00 0.00 O ATOM 622 NE2 GLN A 46 -1.436 15.258 0.252 1.00 0.00 N ATOM 0 H GLN A 46 2.445 14.124 -2.386 1.00 0.00 H new ATOM 0 HA GLN A 46 1.204 11.696 -2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.210 14.314 -3.298 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.850 12.967 -2.934 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.121 13.069 -0.546 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.879 14.456 -0.928 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.815 14.956 1.002 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.221 15.876 0.458 1.00 0.00 H new ATOM 631 N LYS A 47 1.354 12.612 -5.292 1.00 0.00 N ATOM 632 CA LYS A 47 1.266 12.113 -6.660 1.00 0.00 C ATOM 633 C LYS A 47 2.174 10.904 -6.858 1.00 0.00 C ATOM 634 O LYS A 47 1.750 9.878 -7.390 1.00 0.00 O ATOM 635 CB LYS A 47 1.643 13.216 -7.652 1.00 0.00 C ATOM 636 CG LYS A 47 0.715 14.417 -7.608 1.00 0.00 C ATOM 637 CD LYS A 47 0.793 15.229 -8.890 1.00 0.00 C ATOM 638 CE LYS A 47 1.918 16.252 -8.834 1.00 0.00 C ATOM 639 NZ LYS A 47 2.063 16.988 -10.121 1.00 0.00 N ATOM 0 H LYS A 47 1.613 13.596 -5.218 1.00 0.00 H new ATOM 0 HA LYS A 47 0.236 11.805 -6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.661 13.546 -7.445 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.641 12.802 -8.660 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.310 14.081 -7.451 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.976 15.049 -6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.949 14.560 -9.737 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.156 15.739 -9.058 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.724 16.962 -8.030 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.855 15.749 -8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.839 17.675 -10.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.273 16.314 -10.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.177 17.489 -10.336 1.00 0.00 H new ATOM 653 N VAL A 48 3.424 11.031 -6.425 1.00 0.00 N ATOM 654 CA VAL A 48 4.391 9.947 -6.552 1.00 0.00 C ATOM 655 C VAL A 48 3.812 8.632 -6.043 1.00 0.00 C ATOM 656 O VAL A 48 3.997 7.581 -6.657 1.00 0.00 O ATOM 657 CB VAL A 48 5.687 10.258 -5.781 1.00 0.00 C ATOM 658 CG1 VAL A 48 6.643 9.076 -5.845 1.00 0.00 C ATOM 659 CG2 VAL A 48 6.344 11.516 -6.328 1.00 0.00 C ATOM 0 H VAL A 48 3.791 11.874 -5.983 1.00 0.00 H new ATOM 0 HA VAL A 48 4.623 9.852 -7.613 1.00 0.00 H new ATOM 0 HB VAL A 48 5.434 10.434 -4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.553 9.314 -5.295 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.169 8.200 -5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.892 8.866 -6.885 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.258 11.720 -5.771 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.585 11.372 -7.381 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.660 12.358 -6.224 1.00 0.00 H new ATOM 669 N PHE A 49 3.110 8.697 -4.917 1.00 0.00 N ATOM 670 CA PHE A 49 2.504 7.511 -4.324 1.00 0.00 C ATOM 671 C PHE A 49 1.252 7.098 -5.092 1.00 0.00 C ATOM 672 O PHE A 49 1.020 5.913 -5.334 1.00 0.00 O ATOM 673 CB PHE A 49 2.154 7.770 -2.857 1.00 0.00 C ATOM 674 CG PHE A 49 0.997 6.949 -2.363 1.00 0.00 C ATOM 675 CD1 PHE A 49 -0.306 7.328 -2.641 1.00 0.00 C ATOM 676 CD2 PHE A 49 1.213 5.800 -1.620 1.00 0.00 C ATOM 677 CE1 PHE A 49 -1.373 6.575 -2.188 1.00 0.00 C ATOM 678 CE2 PHE A 49 0.150 5.043 -1.164 1.00 0.00 C ATOM 679 CZ PHE A 49 -1.145 5.432 -1.448 1.00 0.00 C ATOM 0 H PHE A 49 2.947 9.559 -4.397 1.00 0.00 H new ATOM 0 HA PHE A 49 3.228 6.698 -4.379 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.028 7.560 -2.241 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.920 8.827 -2.729 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.490 8.222 -3.218 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.223 5.492 -1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.384 6.881 -2.413 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.332 4.149 -0.586 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.977 4.843 -1.092 1.00 0.00 H new ATOM 689 N LEU A 50 0.447 8.084 -5.472 1.00 0.00 N ATOM 690 CA LEU A 50 -0.783 7.825 -6.212 1.00 0.00 C ATOM 691 C LEU A 50 -0.480 7.207 -7.573 1.00 0.00 C ATOM 692 O LEU A 50 -1.368 6.670 -8.235 1.00 0.00 O ATOM 693 CB LEU A 50 -1.575 9.121 -6.393 1.00 0.00 C ATOM 694 CG LEU A 50 -2.131 9.752 -5.116 1.00 0.00 C ATOM 695 CD1 LEU A 50 -2.788 11.089 -5.423 1.00 0.00 C ATOM 696 CD2 LEU A 50 -3.121 8.811 -4.444 1.00 0.00 C ATOM 0 H LEU A 50 0.624 9.070 -5.280 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.381 7.118 -5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.932 9.851 -6.885 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.407 8.923 -7.069 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.303 9.927 -4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.178 11.523 -4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.052 11.764 -5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.606 10.939 -6.128 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.507 9.276 -3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.947 8.605 -5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.620 7.878 -4.188 1.00 0.00 H new ATOM 708 N PHE A 51 0.782 7.285 -7.985 1.00 0.00 N ATOM 709 CA PHE A 51 1.203 6.732 -9.267 1.00 0.00 C ATOM 710 C PHE A 51 1.745 5.315 -9.096 1.00 0.00 C ATOM 711 O PHE A 51 1.597 4.473 -9.982 1.00 0.00 O ATOM 712 CB PHE A 51 2.270 7.624 -9.905 1.00 0.00 C ATOM 713 CG PHE A 51 2.802 7.087 -11.203 1.00 0.00 C ATOM 714 CD1 PHE A 51 3.561 5.929 -11.230 1.00 0.00 C ATOM 715 CD2 PHE A 51 2.543 7.742 -12.397 1.00 0.00 C ATOM 716 CE1 PHE A 51 4.052 5.432 -12.423 1.00 0.00 C ATOM 717 CE2 PHE A 51 3.031 7.250 -13.592 1.00 0.00 C ATOM 718 CZ PHE A 51 3.787 6.094 -13.606 1.00 0.00 C ATOM 0 H PHE A 51 1.530 7.726 -7.450 1.00 0.00 H new ATOM 0 HA PHE A 51 0.332 6.693 -9.922 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.849 8.615 -10.076 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.097 7.745 -9.205 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.772 5.408 -10.308 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.953 8.647 -12.393 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.642 4.527 -12.430 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.821 7.769 -14.515 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.170 5.709 -14.539 1.00 0.00 H new ATOM 728 N ILE A 52 2.372 5.062 -7.953 1.00 0.00 N ATOM 729 CA ILE A 52 2.935 3.748 -7.666 1.00 0.00 C ATOM 730 C ILE A 52 1.838 2.699 -7.523 1.00 0.00 C ATOM 731 O ILE A 52 1.978 1.571 -7.995 1.00 0.00 O ATOM 732 CB ILE A 52 3.783 3.768 -6.380 1.00 0.00 C ATOM 733 CG1 ILE A 52 5.016 4.652 -6.569 1.00 0.00 C ATOM 734 CG2 ILE A 52 4.192 2.354 -5.994 1.00 0.00 C ATOM 735 CD1 ILE A 52 5.547 5.234 -5.278 1.00 0.00 C ATOM 0 H ILE A 52 2.503 5.749 -7.210 1.00 0.00 H new ATOM 0 HA ILE A 52 3.575 3.487 -8.509 1.00 0.00 H new ATOM 0 HB ILE A 52 3.182 4.185 -5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.803 4.067 -7.045 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.768 5.466 -7.250 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.791 2.384 -5.084 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.300 1.751 -5.822 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.779 1.912 -6.799 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.421 5.850 -5.489 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.776 5.847 -4.811 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.827 4.426 -4.602 1.00 0.00 H new ATOM 747 N ARG A 53 0.745 3.080 -6.869 1.00 0.00 N ATOM 748 CA ARG A 53 -0.377 2.172 -6.664 1.00 0.00 C ATOM 749 C ARG A 53 -1.165 1.981 -7.957 1.00 0.00 C ATOM 750 O ARG A 53 -1.731 0.916 -8.199 1.00 0.00 O ATOM 751 CB ARG A 53 -1.299 2.706 -5.567 1.00 0.00 C ATOM 752 CG ARG A 53 -2.033 3.980 -5.954 1.00 0.00 C ATOM 753 CD ARG A 53 -3.381 4.080 -5.259 1.00 0.00 C ATOM 754 NE ARG A 53 -3.928 5.433 -5.316 1.00 0.00 N ATOM 755 CZ ARG A 53 -4.948 5.845 -4.572 1.00 0.00 C ATOM 756 NH1 ARG A 53 -5.529 5.014 -3.718 1.00 0.00 N ATOM 757 NH2 ARG A 53 -5.389 7.092 -4.681 1.00 0.00 N ATOM 0 H ARG A 53 0.613 4.010 -6.473 1.00 0.00 H new ATOM 0 HA ARG A 53 0.022 1.206 -6.355 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.030 1.938 -5.313 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.710 2.895 -4.669 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.423 4.845 -5.694 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.177 4.004 -7.034 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.081 3.386 -5.725 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.275 3.775 -4.218 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.503 6.098 -5.963 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.193 4.055 -3.631 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.312 5.334 -3.148 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.944 7.735 -5.337 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.172 7.408 -4.109 1.00 0.00 H new ATOM 771 N ASN A 54 -1.197 3.021 -8.784 1.00 0.00 N ATOM 772 CA ASN A 54 -1.916 2.968 -10.051 1.00 0.00 C ATOM 773 C ASN A 54 -1.180 2.090 -11.059 1.00 0.00 C ATOM 774 O ASN A 54 -1.778 1.223 -11.696 1.00 0.00 O ATOM 775 CB ASN A 54 -2.093 4.378 -10.620 1.00 0.00 C ATOM 776 CG ASN A 54 -3.158 5.168 -9.884 1.00 0.00 C ATOM 777 OD1 ASN A 54 -3.847 4.640 -9.011 1.00 0.00 O ATOM 778 ND2 ASN A 54 -3.297 6.442 -10.235 1.00 0.00 N ATOM 0 H ASN A 54 -0.733 3.910 -8.599 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.897 2.532 -9.865 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.144 4.912 -10.563 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.358 4.311 -11.675 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.997 7.024 -9.775 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.704 6.838 -10.964 1.00 0.00 H new ATOM 785 N ARG A 55 0.122 2.321 -11.197 1.00 0.00 N ATOM 786 CA ARG A 55 0.940 1.552 -12.126 1.00 0.00 C ATOM 787 C ARG A 55 0.927 0.070 -11.765 1.00 0.00 C ATOM 788 O ARG A 55 0.750 -0.790 -12.628 1.00 0.00 O ATOM 789 CB ARG A 55 2.378 2.075 -12.126 1.00 0.00 C ATOM 790 CG ARG A 55 3.152 1.728 -13.388 1.00 0.00 C ATOM 791 CD ARG A 55 2.571 2.425 -14.608 1.00 0.00 C ATOM 792 NE ARG A 55 3.576 2.640 -15.645 1.00 0.00 N ATOM 793 CZ ARG A 55 3.909 1.723 -16.547 1.00 0.00 C ATOM 794 NH1 ARG A 55 3.320 0.536 -16.539 1.00 0.00 N ATOM 795 NH2 ARG A 55 4.833 1.994 -17.460 1.00 0.00 N ATOM 0 H ARG A 55 0.632 3.035 -10.677 1.00 0.00 H new ATOM 0 HA ARG A 55 0.518 1.669 -13.124 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.362 3.158 -12.006 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.904 1.667 -11.263 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.196 2.016 -13.266 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.135 0.649 -13.542 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.755 1.827 -15.013 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.147 3.384 -14.310 1.00 0.00 H new ATOM 0 HE ARG A 55 4.048 3.543 -15.679 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.609 0.324 -15.839 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.578 -0.166 -17.233 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.288 2.907 -17.470 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.088 1.290 -18.152 1.00 0.00 H new ATOM 809 N THR A 56 1.115 -0.223 -10.481 1.00 0.00 N ATOM 810 CA THR A 56 1.126 -1.600 -10.005 1.00 0.00 C ATOM 811 C THR A 56 -0.086 -2.369 -10.519 1.00 0.00 C ATOM 812 O THR A 56 0.033 -3.514 -10.958 1.00 0.00 O ATOM 813 CB THR A 56 1.144 -1.662 -8.466 1.00 0.00 C ATOM 814 OG1 THR A 56 2.337 -1.048 -7.965 1.00 0.00 O ATOM 815 CG2 THR A 56 1.068 -3.102 -7.982 1.00 0.00 C ATOM 0 H THR A 56 1.262 0.476 -9.753 1.00 0.00 H new ATOM 0 HA THR A 56 2.036 -2.061 -10.391 1.00 0.00 H new ATOM 0 HB THR A 56 0.274 -1.123 -8.092 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.338 -0.096 -8.199 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.082 -3.121 -6.892 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.145 -3.558 -8.341 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.922 -3.660 -8.366 1.00 0.00 H new ATOM 823 N LEU A 57 -1.251 -1.735 -10.462 1.00 0.00 N ATOM 824 CA LEU A 57 -2.486 -2.360 -10.923 1.00 0.00 C ATOM 825 C LEU A 57 -2.477 -2.531 -12.438 1.00 0.00 C ATOM 826 O LEU A 57 -2.861 -3.579 -12.956 1.00 0.00 O ATOM 827 CB LEU A 57 -3.694 -1.521 -10.500 1.00 0.00 C ATOM 828 CG LEU A 57 -4.131 -1.662 -9.041 1.00 0.00 C ATOM 829 CD1 LEU A 57 -4.857 -0.409 -8.578 1.00 0.00 C ATOM 830 CD2 LEU A 57 -5.015 -2.888 -8.866 1.00 0.00 C ATOM 0 H LEU A 57 -1.367 -0.788 -10.101 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.558 -3.347 -10.465 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.467 -0.472 -10.691 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.537 -1.786 -11.138 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.241 -1.789 -8.425 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.160 -0.528 -7.538 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.192 0.450 -8.666 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.740 -0.250 -9.197 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.317 -2.973 -7.822 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.901 -2.790 -9.493 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.461 -3.780 -9.157 1.00 0.00 H new ATOM 842 N GLN A 58 -2.035 -1.494 -13.143 1.00 0.00 N ATOM 843 CA GLN A 58 -1.975 -1.531 -14.600 1.00 0.00 C ATOM 844 C GLN A 58 -1.284 -2.802 -15.084 1.00 0.00 C ATOM 845 O GLN A 58 -1.827 -3.542 -15.904 1.00 0.00 O ATOM 846 CB GLN A 58 -1.238 -0.301 -15.132 1.00 0.00 C ATOM 847 CG GLN A 58 -2.148 0.888 -15.392 1.00 0.00 C ATOM 848 CD GLN A 58 -3.221 0.588 -16.421 1.00 0.00 C ATOM 849 OE1 GLN A 58 -4.315 0.137 -16.080 1.00 0.00 O ATOM 850 NE2 GLN A 58 -2.912 0.837 -17.688 1.00 0.00 N ATOM 0 H GLN A 58 -1.714 -0.619 -12.729 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.996 -1.527 -14.981 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.470 -0.010 -14.416 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.727 -0.566 -16.058 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.621 1.190 -14.457 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.548 1.732 -15.733 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.993 1.211 -17.925 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.594 0.655 -18.425 1.00 0.00 H new ATOM 859 N LEU A 59 -0.083 -3.048 -14.571 1.00 0.00 N ATOM 860 CA LEU A 59 0.683 -4.229 -14.952 1.00 0.00 C ATOM 861 C LEU A 59 -0.045 -5.506 -14.543 1.00 0.00 C ATOM 862 O LEU A 59 -0.016 -6.506 -15.261 1.00 0.00 O ATOM 863 CB LEU A 59 2.070 -4.192 -14.307 1.00 0.00 C ATOM 864 CG LEU A 59 2.889 -2.923 -14.551 1.00 0.00 C ATOM 865 CD1 LEU A 59 3.927 -2.739 -13.454 1.00 0.00 C ATOM 866 CD2 LEU A 59 3.557 -2.975 -15.917 1.00 0.00 C ATOM 0 H LEU A 59 0.381 -2.446 -13.891 1.00 0.00 H new ATOM 0 HA LEU A 59 0.792 -4.226 -16.036 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.952 -4.324 -13.231 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.642 -5.045 -14.672 1.00 0.00 H new ATOM 0 HG LEU A 59 2.214 -2.067 -14.531 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.500 -1.832 -13.644 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.426 -2.657 -12.489 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.599 -3.597 -13.442 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.135 -2.065 -16.074 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.220 -3.839 -15.965 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.795 -3.059 -16.692 1.00 0.00 H new ATOM 878 N TRP A 60 -0.699 -5.463 -13.388 1.00 0.00 N ATOM 879 CA TRP A 60 -1.437 -6.616 -12.885 1.00 0.00 C ATOM 880 C TRP A 60 -2.626 -6.936 -13.785 1.00 0.00 C ATOM 881 O TRP A 60 -2.944 -8.103 -14.019 1.00 0.00 O ATOM 882 CB TRP A 60 -1.919 -6.356 -11.457 1.00 0.00 C ATOM 883 CG TRP A 60 -3.187 -7.078 -11.117 1.00 0.00 C ATOM 884 CD1 TRP A 60 -4.458 -6.583 -11.190 1.00 0.00 C ATOM 885 CD2 TRP A 60 -3.307 -8.426 -10.648 1.00 0.00 C ATOM 886 NE1 TRP A 60 -5.360 -7.541 -10.795 1.00 0.00 N ATOM 887 CE2 TRP A 60 -4.679 -8.681 -10.459 1.00 0.00 C ATOM 888 CE3 TRP A 60 -2.388 -9.442 -10.372 1.00 0.00 C ATOM 889 CZ2 TRP A 60 -5.151 -9.910 -10.005 1.00 0.00 C ATOM 890 CZ3 TRP A 60 -2.859 -10.661 -9.922 1.00 0.00 C ATOM 891 CH2 TRP A 60 -4.230 -10.887 -9.743 1.00 0.00 C ATOM 0 H TRP A 60 -0.733 -4.643 -12.782 1.00 0.00 H new ATOM 0 HA TRP A 60 -0.764 -7.474 -12.884 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.139 -6.657 -10.758 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.072 -5.285 -11.322 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.716 -5.585 -11.511 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.372 -7.423 -10.758 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.329 -9.278 -10.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.207 -10.086 -9.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -2.158 -11.453 -9.705 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.566 -11.851 -9.391 1.00 0.00 H new ATOM 902 N LEU A 61 -3.279 -5.895 -14.288 1.00 0.00 N ATOM 903 CA LEU A 61 -4.433 -6.066 -15.164 1.00 0.00 C ATOM 904 C LEU A 61 -4.011 -6.627 -16.518 1.00 0.00 C ATOM 905 O LEU A 61 -4.824 -7.196 -17.246 1.00 0.00 O ATOM 906 CB LEU A 61 -5.155 -4.731 -15.355 1.00 0.00 C ATOM 907 CG LEU A 61 -6.225 -4.392 -14.316 1.00 0.00 C ATOM 908 CD1 LEU A 61 -6.647 -2.936 -14.440 1.00 0.00 C ATOM 909 CD2 LEU A 61 -7.427 -5.312 -14.469 1.00 0.00 C ATOM 0 H LEU A 61 -3.029 -4.923 -14.105 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.113 -6.776 -14.693 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.411 -3.935 -15.354 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.621 -4.730 -16.340 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.801 -4.543 -13.323 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.409 -2.713 -13.693 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.782 -2.292 -14.280 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.053 -2.758 -15.436 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.178 -5.056 -13.722 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.852 -5.193 -15.466 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.113 -6.347 -14.329 1.00 0.00 H new ATOM 921 N ASP A 62 -2.735 -6.463 -16.848 1.00 0.00 N ATOM 922 CA ASP A 62 -2.203 -6.957 -18.114 1.00 0.00 C ATOM 923 C ASP A 62 -1.781 -8.417 -17.993 1.00 0.00 C ATOM 924 O ASP A 62 -1.962 -9.204 -18.921 1.00 0.00 O ATOM 925 CB ASP A 62 -1.014 -6.104 -18.559 1.00 0.00 C ATOM 926 CG ASP A 62 -0.570 -6.423 -19.973 1.00 0.00 C ATOM 927 OD1 ASP A 62 -1.422 -6.382 -20.885 1.00 0.00 O ATOM 928 OD2 ASP A 62 0.629 -6.713 -20.168 1.00 0.00 O ATOM 0 H ASP A 62 -2.050 -5.992 -16.257 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.991 -6.887 -18.864 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.283 -5.050 -18.495 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.180 -6.263 -17.875 1.00 0.00 H new ATOM 933 N ASN A 63 -1.216 -8.772 -16.843 1.00 0.00 N ATOM 934 CA ASN A 63 -0.766 -10.138 -16.602 1.00 0.00 C ATOM 935 C ASN A 63 -1.217 -10.625 -15.228 1.00 0.00 C ATOM 936 O ASN A 63 -0.417 -11.077 -14.409 1.00 0.00 O ATOM 937 CB ASN A 63 0.757 -10.222 -16.711 1.00 0.00 C ATOM 938 CG ASN A 63 1.455 -9.722 -15.461 1.00 0.00 C ATOM 939 OD1 ASN A 63 0.948 -8.842 -14.764 1.00 0.00 O ATOM 940 ND2 ASN A 63 2.623 -10.281 -15.170 1.00 0.00 N ATOM 0 H ASN A 63 -1.059 -8.133 -16.064 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.213 -10.781 -17.360 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.049 -11.256 -16.898 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.090 -9.637 -17.568 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.138 -9.985 -14.341 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.006 -11.007 -15.776 1.00 0.00 H new ATOM 947 N PRO A 64 -2.530 -10.531 -14.969 1.00 0.00 N ATOM 948 CA PRO A 64 -3.118 -10.958 -13.695 1.00 0.00 C ATOM 949 C PRO A 64 -3.092 -12.473 -13.524 1.00 0.00 C ATOM 950 O PRO A 64 -3.605 -13.006 -12.540 1.00 0.00 O ATOM 951 CB PRO A 64 -4.560 -10.454 -13.784 1.00 0.00 C ATOM 952 CG PRO A 64 -4.844 -10.372 -15.244 1.00 0.00 C ATOM 953 CD PRO A 64 -3.542 -10.002 -15.899 1.00 0.00 C ATOM 0 HA PRO A 64 -2.567 -10.566 -12.840 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.249 -11.135 -13.285 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.670 -9.481 -13.304 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.215 -11.324 -15.623 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.611 -9.626 -15.451 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.450 -10.448 -16.889 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.448 -8.923 -16.025 1.00 0.00 H new ATOM 961 N LYS A 65 -2.491 -13.163 -14.488 1.00 0.00 N ATOM 962 CA LYS A 65 -2.396 -14.617 -14.443 1.00 0.00 C ATOM 963 C LYS A 65 -1.252 -15.060 -13.537 1.00 0.00 C ATOM 964 O LYS A 65 -1.063 -16.254 -13.299 1.00 0.00 O ATOM 965 CB LYS A 65 -2.192 -15.179 -15.852 1.00 0.00 C ATOM 966 CG LYS A 65 -1.068 -14.503 -16.619 1.00 0.00 C ATOM 967 CD LYS A 65 -0.407 -15.460 -17.597 1.00 0.00 C ATOM 968 CE LYS A 65 0.956 -14.950 -18.040 1.00 0.00 C ATOM 969 NZ LYS A 65 1.861 -16.062 -18.441 1.00 0.00 N ATOM 0 H LYS A 65 -2.062 -12.738 -15.310 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.330 -15.005 -14.035 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.982 -16.246 -15.782 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.120 -15.073 -16.414 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.462 -13.642 -17.160 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.323 -14.126 -15.918 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.297 -16.439 -17.131 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.048 -15.592 -18.468 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.832 -14.263 -18.877 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.413 -14.384 -17.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.779 -15.673 -18.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.000 -16.704 -17.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.437 -16.587 -19.232 1.00 0.00 H new ATOM 983 N ILE A 66 -0.494 -14.093 -13.032 1.00 0.00 N ATOM 984 CA ILE A 66 0.629 -14.384 -12.150 1.00 0.00 C ATOM 985 C ILE A 66 0.683 -13.401 -10.986 1.00 0.00 C ATOM 986 O ILE A 66 0.203 -12.272 -11.092 1.00 0.00 O ATOM 987 CB ILE A 66 1.968 -14.338 -12.909 1.00 0.00 C ATOM 988 CG1 ILE A 66 2.347 -12.891 -13.232 1.00 0.00 C ATOM 989 CG2 ILE A 66 1.883 -15.166 -14.183 1.00 0.00 C ATOM 990 CD1 ILE A 66 3.773 -12.733 -13.709 1.00 0.00 C ATOM 0 H ILE A 66 -0.637 -13.101 -13.219 1.00 0.00 H new ATOM 0 HA ILE A 66 0.474 -15.392 -11.764 1.00 0.00 H new ATOM 0 HB ILE A 66 2.744 -14.764 -12.273 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.672 -12.509 -13.998 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.200 -12.278 -12.343 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.837 -15.124 -14.709 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.654 -16.201 -13.930 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.097 -14.767 -14.825 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.972 -11.682 -13.919 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.456 -13.084 -12.936 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.920 -13.319 -14.616 1.00 0.00 H new ATOM 1002 N GLN A 67 1.273 -13.836 -9.877 1.00 0.00 N ATOM 1003 CA GLN A 67 1.391 -12.993 -8.694 1.00 0.00 C ATOM 1004 C GLN A 67 2.396 -11.869 -8.924 1.00 0.00 C ATOM 1005 O GLN A 67 3.540 -12.114 -9.309 1.00 0.00 O ATOM 1006 CB GLN A 67 1.812 -13.830 -7.485 1.00 0.00 C ATOM 1007 CG GLN A 67 3.299 -14.145 -7.452 1.00 0.00 C ATOM 1008 CD GLN A 67 3.753 -14.948 -8.655 1.00 0.00 C ATOM 1009 OE1 GLN A 67 3.379 -16.110 -8.817 1.00 0.00 O ATOM 1010 NE2 GLN A 67 4.563 -14.331 -9.507 1.00 0.00 N ATOM 0 H GLN A 67 1.676 -14.767 -9.774 1.00 0.00 H new ATOM 0 HA GLN A 67 0.415 -12.549 -8.497 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.541 -13.298 -6.573 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.251 -14.765 -7.487 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.863 -13.213 -7.408 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.529 -14.700 -6.542 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.848 -13.367 -9.333 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.901 -14.821 -10.335 1.00 0.00 H new ATOM 1019 N LEU A 68 1.962 -10.636 -8.687 1.00 0.00 N ATOM 1020 CA LEU A 68 2.823 -9.473 -8.869 1.00 0.00 C ATOM 1021 C LEU A 68 3.718 -9.262 -7.652 1.00 0.00 C ATOM 1022 O LEU A 68 3.282 -8.725 -6.633 1.00 0.00 O ATOM 1023 CB LEU A 68 1.979 -8.222 -9.119 1.00 0.00 C ATOM 1024 CG LEU A 68 2.726 -7.009 -9.674 1.00 0.00 C ATOM 1025 CD1 LEU A 68 3.304 -7.319 -11.046 1.00 0.00 C ATOM 1026 CD2 LEU A 68 1.803 -5.801 -9.743 1.00 0.00 C ATOM 0 H LEU A 68 1.018 -10.416 -8.368 1.00 0.00 H new ATOM 0 HA LEU A 68 3.458 -9.654 -9.736 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.179 -8.480 -9.813 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.505 -7.934 -8.180 1.00 0.00 H new ATOM 0 HG LEU A 68 3.550 -6.774 -9.000 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.832 -6.444 -11.425 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.998 -8.156 -10.968 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.497 -7.580 -11.730 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.351 -4.947 -10.140 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.958 -6.025 -10.395 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.438 -5.565 -8.744 1.00 0.00 H new ATOM 1038 N THR A 69 4.972 -9.687 -7.765 1.00 0.00 N ATOM 1039 CA THR A 69 5.929 -9.543 -6.674 1.00 0.00 C ATOM 1040 C THR A 69 6.390 -8.097 -6.533 1.00 0.00 C ATOM 1041 O THR A 69 6.224 -7.290 -7.449 1.00 0.00 O ATOM 1042 CB THR A 69 7.160 -10.445 -6.885 1.00 0.00 C ATOM 1043 OG1 THR A 69 7.903 -10.000 -8.025 1.00 0.00 O ATOM 1044 CG2 THR A 69 6.743 -11.894 -7.080 1.00 0.00 C ATOM 0 H THR A 69 5.349 -10.134 -8.601 1.00 0.00 H new ATOM 0 HA THR A 69 5.416 -9.847 -5.762 1.00 0.00 H new ATOM 0 HB THR A 69 7.786 -10.381 -5.995 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.685 -10.577 -8.152 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.629 -12.511 -7.227 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.203 -12.239 -6.198 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.097 -11.972 -7.955 1.00 0.00 H new ATOM 1052 N PHE A 70 6.969 -7.775 -5.382 1.00 0.00 N ATOM 1053 CA PHE A 70 7.455 -6.425 -5.121 1.00 0.00 C ATOM 1054 C PHE A 70 8.553 -6.042 -6.108 1.00 0.00 C ATOM 1055 O PHE A 70 8.582 -4.921 -6.616 1.00 0.00 O ATOM 1056 CB PHE A 70 7.980 -6.317 -3.688 1.00 0.00 C ATOM 1057 CG PHE A 70 8.976 -5.209 -3.497 1.00 0.00 C ATOM 1058 CD1 PHE A 70 8.556 -3.931 -3.166 1.00 0.00 C ATOM 1059 CD2 PHE A 70 10.333 -5.446 -3.649 1.00 0.00 C ATOM 1060 CE1 PHE A 70 9.471 -2.910 -2.991 1.00 0.00 C ATOM 1061 CE2 PHE A 70 11.253 -4.429 -3.474 1.00 0.00 C ATOM 1062 CZ PHE A 70 10.821 -3.160 -3.144 1.00 0.00 C ATOM 0 H PHE A 70 7.113 -8.431 -4.614 1.00 0.00 H new ATOM 0 HA PHE A 70 6.621 -5.735 -5.247 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.139 -6.160 -3.012 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.442 -7.263 -3.407 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.502 -3.730 -3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.676 -6.437 -3.907 1.00 0.00 H new ATOM 0 HE1 PHE A 70 9.131 -1.917 -2.735 1.00 0.00 H new ATOM 0 HE2 PHE A 70 12.308 -4.627 -3.595 1.00 0.00 H new ATOM 0 HZ PHE A 70 11.537 -2.364 -3.006 1.00 0.00 H new ATOM 1072 N GLU A 71 9.455 -6.982 -6.375 1.00 0.00 N ATOM 1073 CA GLU A 71 10.557 -6.742 -7.300 1.00 0.00 C ATOM 1074 C GLU A 71 10.035 -6.322 -8.671 1.00 0.00 C ATOM 1075 O GLU A 71 10.284 -5.207 -9.127 1.00 0.00 O ATOM 1076 CB GLU A 71 11.422 -7.997 -7.433 1.00 0.00 C ATOM 1077 CG GLU A 71 12.535 -8.082 -6.402 1.00 0.00 C ATOM 1078 CD GLU A 71 13.460 -9.260 -6.637 1.00 0.00 C ATOM 1079 OE1 GLU A 71 12.965 -10.406 -6.660 1.00 0.00 O ATOM 1080 OE2 GLU A 71 14.678 -9.036 -6.798 1.00 0.00 O ATOM 0 H GLU A 71 9.444 -7.916 -5.964 1.00 0.00 H new ATOM 0 HA GLU A 71 11.165 -5.931 -6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.786 -8.878 -7.342 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.860 -8.022 -8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.115 -7.160 -6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.098 -8.161 -5.407 1.00 0.00 H new ATOM 1087 N ALA A 72 9.309 -7.225 -9.322 1.00 0.00 N ATOM 1088 CA ALA A 72 8.750 -6.949 -10.640 1.00 0.00 C ATOM 1089 C ALA A 72 8.153 -5.547 -10.701 1.00 0.00 C ATOM 1090 O ALA A 72 8.538 -4.733 -11.541 1.00 0.00 O ATOM 1091 CB ALA A 72 7.698 -7.989 -10.995 1.00 0.00 C ATOM 0 H ALA A 72 9.094 -8.153 -8.958 1.00 0.00 H new ATOM 0 HA ALA A 72 9.559 -7.003 -11.369 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.289 -7.771 -11.982 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.153 -8.979 -11.002 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.897 -7.963 -10.256 1.00 0.00 H new ATOM 1097 N THR A 73 7.211 -5.271 -9.805 1.00 0.00 N ATOM 1098 CA THR A 73 6.559 -3.968 -9.758 1.00 0.00 C ATOM 1099 C THR A 73 7.585 -2.841 -9.743 1.00 0.00 C ATOM 1100 O THR A 73 7.421 -1.829 -10.425 1.00 0.00 O ATOM 1101 CB THR A 73 5.652 -3.838 -8.520 1.00 0.00 C ATOM 1102 OG1 THR A 73 4.699 -4.907 -8.497 1.00 0.00 O ATOM 1103 CG2 THR A 73 4.923 -2.503 -8.521 1.00 0.00 C ATOM 0 H THR A 73 6.882 -5.933 -9.102 1.00 0.00 H new ATOM 0 HA THR A 73 5.948 -3.887 -10.657 1.00 0.00 H new ATOM 0 HB THR A 73 6.279 -3.891 -7.630 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.130 -5.722 -8.165 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.289 -2.434 -7.637 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.650 -1.691 -8.510 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.307 -2.426 -9.417 1.00 0.00 H new ATOM 1111 N LEU A 74 8.644 -3.022 -8.961 1.00 0.00 N ATOM 1112 CA LEU A 74 9.698 -2.019 -8.857 1.00 0.00 C ATOM 1113 C LEU A 74 10.433 -1.862 -10.185 1.00 0.00 C ATOM 1114 O LEU A 74 10.547 -0.757 -10.715 1.00 0.00 O ATOM 1115 CB LEU A 74 10.688 -2.403 -7.756 1.00 0.00 C ATOM 1116 CG LEU A 74 12.092 -1.811 -7.879 1.00 0.00 C ATOM 1117 CD1 LEU A 74 12.097 -0.354 -7.440 1.00 0.00 C ATOM 1118 CD2 LEU A 74 13.086 -2.620 -7.059 1.00 0.00 C ATOM 0 H LEU A 74 8.795 -3.854 -8.390 1.00 0.00 H new ATOM 0 HA LEU A 74 9.234 -1.065 -8.604 1.00 0.00 H new ATOM 0 HB2 LEU A 74 10.270 -2.098 -6.797 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.774 -3.489 -7.735 1.00 0.00 H new ATOM 0 HG LEU A 74 12.394 -1.855 -8.925 1.00 0.00 H new ATOM 0 HD11 LEU A 74 13.105 0.051 -7.534 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.416 0.218 -8.070 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.774 -0.286 -6.401 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.080 -2.184 -7.159 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.788 -2.608 -6.011 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.103 -3.649 -7.420 1.00 0.00 H new ATOM 1130 N GLN A 75 10.928 -2.975 -10.717 1.00 0.00 N ATOM 1131 CA GLN A 75 11.650 -2.961 -11.983 1.00 0.00 C ATOM 1132 C GLN A 75 10.844 -2.244 -13.061 1.00 0.00 C ATOM 1133 O GLN A 75 11.352 -1.349 -13.736 1.00 0.00 O ATOM 1134 CB GLN A 75 11.966 -4.389 -12.431 1.00 0.00 C ATOM 1135 CG GLN A 75 12.959 -5.103 -11.528 1.00 0.00 C ATOM 1136 CD GLN A 75 13.707 -6.210 -12.245 1.00 0.00 C ATOM 1137 OE1 GLN A 75 13.423 -7.393 -12.054 1.00 0.00 O ATOM 1138 NE2 GLN A 75 14.670 -5.831 -13.077 1.00 0.00 N ATOM 0 H GLN A 75 10.842 -3.898 -10.291 1.00 0.00 H new ATOM 0 HA GLN A 75 12.584 -2.420 -11.833 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.040 -4.964 -12.466 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.363 -4.363 -13.446 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.675 -4.380 -11.137 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.430 -5.522 -10.672 1.00 0.00 H new ATOM 0 HE21 GLN A 75 14.872 -4.839 -13.205 1.00 0.00 H new ATOM 0 HE22 GLN A 75 15.208 -6.531 -13.588 1.00 0.00 H new ATOM 1147 N GLN A 76 9.586 -2.644 -13.217 1.00 0.00 N ATOM 1148 CA GLN A 76 8.711 -2.040 -14.214 1.00 0.00 C ATOM 1149 C GLN A 76 8.473 -0.565 -13.908 1.00 0.00 C ATOM 1150 O GLN A 76 8.475 0.276 -14.808 1.00 0.00 O ATOM 1151 CB GLN A 76 7.375 -2.783 -14.269 1.00 0.00 C ATOM 1152 CG GLN A 76 7.509 -4.248 -14.655 1.00 0.00 C ATOM 1153 CD GLN A 76 6.328 -5.082 -14.200 1.00 0.00 C ATOM 1154 OE1 GLN A 76 5.587 -5.627 -15.018 1.00 0.00 O ATOM 1155 NE2 GLN A 76 6.146 -5.186 -12.888 1.00 0.00 N ATOM 0 H GLN A 76 9.150 -3.383 -12.666 1.00 0.00 H new ATOM 0 HA GLN A 76 9.202 -2.117 -15.184 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.891 -2.715 -13.295 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.721 -2.285 -14.985 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.609 -4.327 -15.738 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.423 -4.652 -14.220 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.785 -4.717 -12.246 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.367 -5.735 -12.523 1.00 0.00 H new ATOM 1164 N LEU A 77 8.267 -0.257 -12.632 1.00 0.00 N ATOM 1165 CA LEU A 77 8.026 1.118 -12.206 1.00 0.00 C ATOM 1166 C LEU A 77 9.138 2.041 -12.693 1.00 0.00 C ATOM 1167 O LEU A 77 10.228 1.586 -13.040 1.00 0.00 O ATOM 1168 CB LEU A 77 7.920 1.189 -10.682 1.00 0.00 C ATOM 1169 CG LEU A 77 6.509 1.086 -10.101 1.00 0.00 C ATOM 1170 CD1 LEU A 77 6.556 0.559 -8.676 1.00 0.00 C ATOM 1171 CD2 LEU A 77 5.813 2.438 -10.149 1.00 0.00 C ATOM 0 H LEU A 77 8.262 -0.940 -11.875 1.00 0.00 H new ATOM 0 HA LEU A 77 7.085 1.449 -12.645 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.525 0.388 -10.258 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.360 2.130 -10.351 1.00 0.00 H new ATOM 0 HG LEU A 77 5.937 0.384 -10.707 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.543 0.492 -8.279 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.014 -0.430 -8.669 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.145 1.236 -8.057 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.810 2.346 -9.732 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.383 3.162 -9.567 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.746 2.776 -11.183 1.00 0.00 H new ATOM 1183 N GLU A 78 8.855 3.340 -12.715 1.00 0.00 N ATOM 1184 CA GLU A 78 9.833 4.327 -13.159 1.00 0.00 C ATOM 1185 C GLU A 78 9.944 5.472 -12.157 1.00 0.00 C ATOM 1186 O GLU A 78 8.956 6.139 -11.849 1.00 0.00 O ATOM 1187 CB GLU A 78 9.449 4.874 -14.535 1.00 0.00 C ATOM 1188 CG GLU A 78 8.073 5.518 -14.572 1.00 0.00 C ATOM 1189 CD GLU A 78 7.748 6.122 -15.924 1.00 0.00 C ATOM 1190 OE1 GLU A 78 8.690 6.530 -16.635 1.00 0.00 O ATOM 1191 OE2 GLU A 78 6.550 6.186 -16.272 1.00 0.00 O ATOM 0 H GLU A 78 7.958 3.733 -12.431 1.00 0.00 H new ATOM 0 HA GLU A 78 10.803 3.834 -13.229 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.193 5.608 -14.845 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.480 4.062 -15.261 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.320 4.771 -14.321 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.019 6.294 -13.809 1.00 0.00 H new ATOM 1198 N ALA A 79 11.152 5.693 -11.650 1.00 0.00 N ATOM 1199 CA ALA A 79 11.393 6.757 -10.684 1.00 0.00 C ATOM 1200 C ALA A 79 10.722 8.055 -11.119 1.00 0.00 C ATOM 1201 O ALA A 79 10.420 8.263 -12.294 1.00 0.00 O ATOM 1202 CB ALA A 79 12.888 6.971 -10.496 1.00 0.00 C ATOM 0 H ALA A 79 11.980 5.149 -11.893 1.00 0.00 H new ATOM 0 HA ALA A 79 10.958 6.455 -9.731 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.053 7.769 -9.772 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.344 6.050 -10.132 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.339 7.247 -11.449 1.00 0.00 H new ATOM 1208 N PRO A 80 10.480 8.951 -10.150 1.00 0.00 N ATOM 1209 CA PRO A 80 10.834 8.714 -8.747 1.00 0.00 C ATOM 1210 C PRO A 80 9.966 7.637 -8.104 1.00 0.00 C ATOM 1211 O PRO A 80 10.239 7.190 -6.989 1.00 0.00 O ATOM 1212 CB PRO A 80 10.583 10.070 -8.084 1.00 0.00 C ATOM 1213 CG PRO A 80 9.564 10.731 -8.947 1.00 0.00 C ATOM 1214 CD PRO A 80 9.843 10.263 -10.348 1.00 0.00 C ATOM 0 HA PRO A 80 11.858 8.355 -8.640 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.220 9.950 -7.063 1.00 0.00 H new ATOM 0 HB3 PRO A 80 11.498 10.660 -8.030 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.555 10.459 -8.638 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.637 11.816 -8.876 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.927 10.181 -10.934 1.00 0.00 H new ATOM 0 HD3 PRO A 80 10.500 10.952 -10.878 1.00 0.00 H new ATOM 1222 N TYR A 81 8.921 7.225 -8.812 1.00 0.00 N ATOM 1223 CA TYR A 81 8.012 6.203 -8.309 1.00 0.00 C ATOM 1224 C TYR A 81 8.785 5.054 -7.668 1.00 0.00 C ATOM 1225 O TYR A 81 8.653 4.795 -6.473 1.00 0.00 O ATOM 1226 CB TYR A 81 7.133 5.670 -9.442 1.00 0.00 C ATOM 1227 CG TYR A 81 6.534 6.757 -10.306 1.00 0.00 C ATOM 1228 CD1 TYR A 81 6.064 7.938 -9.744 1.00 0.00 C ATOM 1229 CD2 TYR A 81 6.436 6.603 -11.683 1.00 0.00 C ATOM 1230 CE1 TYR A 81 5.516 8.934 -10.529 1.00 0.00 C ATOM 1231 CE2 TYR A 81 5.890 7.594 -12.476 1.00 0.00 C ATOM 1232 CZ TYR A 81 5.432 8.757 -11.895 1.00 0.00 C ATOM 1233 OH TYR A 81 4.886 9.746 -12.681 1.00 0.00 O ATOM 0 H TYR A 81 8.682 7.583 -9.737 1.00 0.00 H new ATOM 0 HA TYR A 81 7.378 6.660 -7.549 1.00 0.00 H new ATOM 0 HB2 TYR A 81 7.727 5.005 -10.069 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.328 5.072 -9.015 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.128 8.080 -8.675 1.00 0.00 H new ATOM 0 HD2 TYR A 81 6.793 5.693 -12.142 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.155 9.846 -10.076 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.822 7.458 -13.545 1.00 0.00 H new ATOM 0 HH TYR A 81 4.013 9.452 -13.017 1.00 0.00 H new ATOM 1243 N ASN A 82 9.592 4.371 -8.473 1.00 0.00 N ATOM 1244 CA ASN A 82 10.387 3.250 -7.985 1.00 0.00 C ATOM 1245 C ASN A 82 11.528 3.738 -7.097 1.00 0.00 C ATOM 1246 O ASN A 82 11.895 3.080 -6.124 1.00 0.00 O ATOM 1247 CB ASN A 82 10.948 2.446 -9.160 1.00 0.00 C ATOM 1248 CG ASN A 82 12.313 2.940 -9.599 1.00 0.00 C ATOM 1249 OD1 ASN A 82 13.260 2.961 -8.812 1.00 0.00 O ATOM 1250 ND2 ASN A 82 12.420 3.341 -10.860 1.00 0.00 N ATOM 0 H ASN A 82 9.713 4.574 -9.465 1.00 0.00 H new ATOM 0 HA ASN A 82 9.737 2.607 -7.391 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.018 1.396 -8.877 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.256 2.504 -10.000 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.314 3.684 -11.212 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.608 3.306 -11.477 1.00 0.00 H new ATOM 1257 N SER A 83 12.083 4.896 -7.440 1.00 0.00 N ATOM 1258 CA SER A 83 13.185 5.471 -6.676 1.00 0.00 C ATOM 1259 C SER A 83 13.022 5.182 -5.187 1.00 0.00 C ATOM 1260 O SER A 83 13.951 4.714 -4.529 1.00 0.00 O ATOM 1261 CB SER A 83 13.261 6.981 -6.909 1.00 0.00 C ATOM 1262 OG SER A 83 14.436 7.527 -6.336 1.00 0.00 O ATOM 0 H SER A 83 11.788 5.454 -8.241 1.00 0.00 H new ATOM 0 HA SER A 83 14.112 5.011 -7.018 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.244 7.188 -7.979 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.384 7.463 -6.477 1.00 0.00 H new ATOM 0 HG SER A 83 14.462 8.493 -6.500 1.00 0.00 H new ATOM 1268 N ASP A 84 11.835 5.465 -4.662 1.00 0.00 N ATOM 1269 CA ASP A 84 11.548 5.236 -3.251 1.00 0.00 C ATOM 1270 C ASP A 84 11.040 3.816 -3.024 1.00 0.00 C ATOM 1271 O ASP A 84 9.833 3.573 -2.996 1.00 0.00 O ATOM 1272 CB ASP A 84 10.516 6.247 -2.747 1.00 0.00 C ATOM 1273 CG ASP A 84 10.697 6.576 -1.279 1.00 0.00 C ATOM 1274 OD1 ASP A 84 11.546 5.932 -0.627 1.00 0.00 O ATOM 1275 OD2 ASP A 84 9.990 7.477 -0.780 1.00 0.00 O ATOM 0 H ASP A 84 11.056 5.854 -5.193 1.00 0.00 H new ATOM 0 HA ASP A 84 12.474 5.365 -2.692 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.592 7.163 -3.334 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.514 5.849 -2.906 1.00 0.00 H new ATOM 1280 N THR A 85 11.969 2.879 -2.862 1.00 0.00 N ATOM 1281 CA THR A 85 11.616 1.483 -2.639 1.00 0.00 C ATOM 1282 C THR A 85 10.660 1.338 -1.460 1.00 0.00 C ATOM 1283 O THR A 85 9.588 0.747 -1.586 1.00 0.00 O ATOM 1284 CB THR A 85 12.866 0.621 -2.380 1.00 0.00 C ATOM 1285 OG1 THR A 85 13.669 1.218 -1.356 1.00 0.00 O ATOM 1286 CG2 THR A 85 13.689 0.467 -3.650 1.00 0.00 C ATOM 0 H THR A 85 12.972 3.062 -2.881 1.00 0.00 H new ATOM 0 HA THR A 85 11.124 1.134 -3.547 1.00 0.00 H new ATOM 0 HB THR A 85 12.538 -0.367 -2.055 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.461 0.663 -1.196 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.567 -0.145 -3.443 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.085 -0.014 -4.419 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.006 1.450 -3.999 1.00 0.00 H new ATOM 1294 N VAL A 86 11.056 1.882 -0.314 1.00 0.00 N ATOM 1295 CA VAL A 86 10.234 1.816 0.888 1.00 0.00 C ATOM 1296 C VAL A 86 8.763 2.047 0.561 1.00 0.00 C ATOM 1297 O VAL A 86 7.884 1.352 1.073 1.00 0.00 O ATOM 1298 CB VAL A 86 10.684 2.852 1.935 1.00 0.00 C ATOM 1299 CG1 VAL A 86 10.175 4.237 1.569 1.00 0.00 C ATOM 1300 CG2 VAL A 86 10.208 2.449 3.322 1.00 0.00 C ATOM 0 H VAL A 86 11.941 2.374 -0.193 1.00 0.00 H new ATOM 0 HA VAL A 86 10.359 0.815 1.302 1.00 0.00 H new ATOM 0 HB VAL A 86 11.774 2.883 1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.503 4.955 2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.571 4.524 0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.086 4.226 1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.535 3.192 4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.120 2.388 3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.628 1.477 3.583 1.00 0.00 H new ATOM 1310 N LEU A 87 8.500 3.028 -0.295 1.00 0.00 N ATOM 1311 CA LEU A 87 7.134 3.352 -0.692 1.00 0.00 C ATOM 1312 C LEU A 87 6.536 2.237 -1.543 1.00 0.00 C ATOM 1313 O LEU A 87 5.411 1.796 -1.306 1.00 0.00 O ATOM 1314 CB LEU A 87 7.107 4.671 -1.467 1.00 0.00 C ATOM 1315 CG LEU A 87 5.771 5.416 -1.477 1.00 0.00 C ATOM 1316 CD1 LEU A 87 5.275 5.642 -0.058 1.00 0.00 C ATOM 1317 CD2 LEU A 87 5.904 6.740 -2.215 1.00 0.00 C ATOM 0 H LEU A 87 9.215 3.613 -0.728 1.00 0.00 H new ATOM 0 HA LEU A 87 6.534 3.456 0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.866 5.332 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.396 4.469 -2.499 1.00 0.00 H new ATOM 0 HG LEU A 87 5.039 4.802 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.324 6.173 -0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.140 4.681 0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.006 6.234 0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.944 7.256 -2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.651 7.360 -1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.213 6.554 -3.244 1.00 0.00 H new ATOM 1329 N VAL A 88 7.296 1.783 -2.534 1.00 0.00 N ATOM 1330 CA VAL A 88 6.842 0.716 -3.419 1.00 0.00 C ATOM 1331 C VAL A 88 6.552 -0.560 -2.637 1.00 0.00 C ATOM 1332 O VAL A 88 5.767 -1.403 -3.073 1.00 0.00 O ATOM 1333 CB VAL A 88 7.885 0.410 -4.510 1.00 0.00 C ATOM 1334 CG1 VAL A 88 7.411 -0.731 -5.397 1.00 0.00 C ATOM 1335 CG2 VAL A 88 8.173 1.655 -5.336 1.00 0.00 C ATOM 0 H VAL A 88 8.229 2.137 -2.745 1.00 0.00 H new ATOM 0 HA VAL A 88 5.924 1.066 -3.892 1.00 0.00 H new ATOM 0 HB VAL A 88 8.812 0.101 -4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.161 -0.933 -6.162 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.261 -1.625 -4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.471 -0.454 -5.875 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.912 1.420 -6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.254 1.997 -5.811 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.560 2.441 -4.687 1.00 0.00 H new ATOM 1345 N HIS A 89 7.189 -0.695 -1.478 1.00 0.00 N ATOM 1346 CA HIS A 89 6.997 -1.869 -0.633 1.00 0.00 C ATOM 1347 C HIS A 89 5.739 -1.727 0.217 1.00 0.00 C ATOM 1348 O HIS A 89 5.018 -2.699 0.443 1.00 0.00 O ATOM 1349 CB HIS A 89 8.215 -2.079 0.268 1.00 0.00 C ATOM 1350 CG HIS A 89 8.334 -3.474 0.798 1.00 0.00 C ATOM 1351 ND1 HIS A 89 7.456 -4.008 1.717 1.00 0.00 N ATOM 1352 CD2 HIS A 89 9.236 -4.448 0.532 1.00 0.00 C ATOM 1353 CE1 HIS A 89 7.812 -5.249 1.995 1.00 0.00 C ATOM 1354 NE2 HIS A 89 8.889 -5.541 1.288 1.00 0.00 N ATOM 0 H HIS A 89 7.842 -0.007 -1.103 1.00 0.00 H new ATOM 0 HA HIS A 89 6.879 -2.737 -1.281 1.00 0.00 H new ATOM 0 HB2 HIS A 89 9.117 -1.834 -0.292 1.00 0.00 H new ATOM 0 HB3 HIS A 89 8.161 -1.384 1.106 1.00 0.00 H new ATOM 0 HD2 HIS A 89 10.072 -4.379 -0.148 1.00 0.00 H new ATOM 0 HE1 HIS A 89 7.309 -5.912 2.683 1.00 0.00 H new ATOM 0 HE2 HIS A 89 9.383 -6.433 1.301 1.00 0.00 H new ATOM 1363 N ARG A 90 5.482 -0.510 0.687 1.00 0.00 N ATOM 1364 CA ARG A 90 4.312 -0.242 1.514 1.00 0.00 C ATOM 1365 C ARG A 90 3.060 -0.096 0.654 1.00 0.00 C ATOM 1366 O ARG A 90 1.950 -0.392 1.098 1.00 0.00 O ATOM 1367 CB ARG A 90 4.526 1.026 2.342 1.00 0.00 C ATOM 1368 CG ARG A 90 5.607 0.887 3.401 1.00 0.00 C ATOM 1369 CD ARG A 90 6.273 2.222 3.696 1.00 0.00 C ATOM 1370 NE ARG A 90 7.074 2.176 4.916 1.00 0.00 N ATOM 1371 CZ ARG A 90 6.573 2.369 6.132 1.00 0.00 C ATOM 1372 NH1 ARG A 90 5.281 2.619 6.288 1.00 0.00 N ATOM 1373 NH2 ARG A 90 7.366 2.311 7.194 1.00 0.00 N ATOM 0 H ARG A 90 6.068 0.305 0.509 1.00 0.00 H new ATOM 0 HA ARG A 90 4.173 -1.088 2.187 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.788 1.846 1.674 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.588 1.296 2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.172 0.486 4.316 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.357 0.171 3.065 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.908 2.504 2.856 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.510 2.994 3.792 1.00 0.00 H new ATOM 0 HE ARG A 90 8.072 1.985 4.830 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.668 2.664 5.474 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.899 2.767 7.222 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.361 2.118 7.078 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.981 2.459 8.127 1.00 0.00 H new ATOM 1387 N VAL A 91 3.246 0.364 -0.580 1.00 0.00 N ATOM 1388 CA VAL A 91 2.132 0.550 -1.502 1.00 0.00 C ATOM 1389 C VAL A 91 1.665 -0.784 -2.075 1.00 0.00 C ATOM 1390 O VAL A 91 0.489 -1.136 -1.978 1.00 0.00 O ATOM 1391 CB VAL A 91 2.515 1.488 -2.662 1.00 0.00 C ATOM 1392 CG1 VAL A 91 1.363 1.617 -3.648 1.00 0.00 C ATOM 1393 CG2 VAL A 91 2.927 2.852 -2.130 1.00 0.00 C ATOM 0 H VAL A 91 4.157 0.614 -0.964 1.00 0.00 H new ATOM 0 HA VAL A 91 1.320 1.002 -0.932 1.00 0.00 H new ATOM 0 HB VAL A 91 3.366 1.057 -3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.652 2.284 -4.460 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.119 0.635 -4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.491 2.025 -3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.194 3.502 -2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.097 3.293 -1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.785 2.740 -1.467 1.00 0.00 H new ATOM 1403 N HIS A 92 2.594 -1.524 -2.672 1.00 0.00 N ATOM 1404 CA HIS A 92 2.278 -2.820 -3.260 1.00 0.00 C ATOM 1405 C HIS A 92 1.605 -3.731 -2.237 1.00 0.00 C ATOM 1406 O HIS A 92 0.819 -4.608 -2.595 1.00 0.00 O ATOM 1407 CB HIS A 92 3.547 -3.485 -3.794 1.00 0.00 C ATOM 1408 CG HIS A 92 3.285 -4.740 -4.569 1.00 0.00 C ATOM 1409 ND1 HIS A 92 2.969 -5.941 -3.971 1.00 0.00 N ATOM 1410 CD2 HIS A 92 3.293 -4.975 -5.902 1.00 0.00 C ATOM 1411 CE1 HIS A 92 2.795 -6.862 -4.902 1.00 0.00 C ATOM 1412 NE2 HIS A 92 2.986 -6.301 -6.083 1.00 0.00 N ATOM 0 H HIS A 92 3.572 -1.248 -2.761 1.00 0.00 H new ATOM 0 HA HIS A 92 1.587 -2.657 -4.087 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.077 -2.778 -4.432 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.206 -3.715 -2.957 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.502 -4.254 -6.678 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.540 -7.897 -4.728 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.917 -6.776 -6.983 1.00 0.00 H new ATOM 1421 N SER A 93 1.919 -3.516 -0.964 1.00 0.00 N ATOM 1422 CA SER A 93 1.348 -4.320 0.110 1.00 0.00 C ATOM 1423 C SER A 93 -0.119 -3.963 0.335 1.00 0.00 C ATOM 1424 O SER A 93 -1.009 -4.787 0.126 1.00 0.00 O ATOM 1425 CB SER A 93 2.138 -4.117 1.404 1.00 0.00 C ATOM 1426 OG SER A 93 2.372 -2.741 1.648 1.00 0.00 O ATOM 0 H SER A 93 2.566 -2.792 -0.651 1.00 0.00 H new ATOM 0 HA SER A 93 1.408 -5.368 -0.183 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.589 -4.550 2.240 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.089 -4.645 1.340 1.00 0.00 H new ATOM 0 HG SER A 93 2.580 -2.608 2.596 1.00 0.00 H new ATOM 1432 N TYR A 94 -0.361 -2.730 0.764 1.00 0.00 N ATOM 1433 CA TYR A 94 -1.718 -2.263 1.020 1.00 0.00 C ATOM 1434 C TYR A 94 -2.673 -2.734 -0.073 1.00 0.00 C ATOM 1435 O TYR A 94 -3.837 -3.038 0.191 1.00 0.00 O ATOM 1436 CB TYR A 94 -1.746 -0.736 1.113 1.00 0.00 C ATOM 1437 CG TYR A 94 -3.063 -0.128 0.688 1.00 0.00 C ATOM 1438 CD1 TYR A 94 -3.389 0.005 -0.656 1.00 0.00 C ATOM 1439 CD2 TYR A 94 -3.983 0.315 1.632 1.00 0.00 C ATOM 1440 CE1 TYR A 94 -4.591 0.561 -1.048 1.00 0.00 C ATOM 1441 CE2 TYR A 94 -5.188 0.871 1.249 1.00 0.00 C ATOM 1442 CZ TYR A 94 -5.487 0.992 -0.092 1.00 0.00 C ATOM 1443 OH TYR A 94 -6.686 1.546 -0.479 1.00 0.00 O ATOM 0 H TYR A 94 0.365 -2.036 0.942 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.046 -2.685 1.970 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.533 -0.439 2.140 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.949 -0.328 0.491 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.690 -0.332 -1.407 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.751 0.223 2.683 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.828 0.658 -2.097 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.892 1.209 1.995 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.202 1.797 0.315 1.00 0.00 H new ATOM 1453 N LEU A 95 -2.171 -2.794 -1.301 1.00 0.00 N ATOM 1454 CA LEU A 95 -2.977 -3.229 -2.437 1.00 0.00 C ATOM 1455 C LEU A 95 -3.264 -4.725 -2.359 1.00 0.00 C ATOM 1456 O LEU A 95 -4.419 -5.148 -2.408 1.00 0.00 O ATOM 1457 CB LEU A 95 -2.262 -2.903 -3.750 1.00 0.00 C ATOM 1458 CG LEU A 95 -2.103 -1.418 -4.076 1.00 0.00 C ATOM 1459 CD1 LEU A 95 -1.056 -1.220 -5.162 1.00 0.00 C ATOM 1460 CD2 LEU A 95 -3.435 -0.819 -4.502 1.00 0.00 C ATOM 0 H LEU A 95 -1.210 -2.547 -1.536 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.926 -2.693 -2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.271 -3.357 -3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.808 -3.377 -4.565 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.767 -0.902 -3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.956 -0.157 -5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.098 -1.612 -4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.363 -1.749 -6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.302 0.239 -4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.801 -1.338 -5.388 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.158 -0.928 -3.694 1.00 0.00 H new ATOM 1472 N GLU A 96 -2.206 -5.520 -2.235 1.00 0.00 N ATOM 1473 CA GLU A 96 -2.346 -6.969 -2.148 1.00 0.00 C ATOM 1474 C GLU A 96 -3.067 -7.370 -0.864 1.00 0.00 C ATOM 1475 O GLU A 96 -4.110 -8.022 -0.903 1.00 0.00 O ATOM 1476 CB GLU A 96 -0.973 -7.641 -2.207 1.00 0.00 C ATOM 1477 CG GLU A 96 -1.034 -9.158 -2.143 1.00 0.00 C ATOM 1478 CD GLU A 96 0.280 -9.777 -1.708 1.00 0.00 C ATOM 1479 OE1 GLU A 96 1.340 -9.294 -2.157 1.00 0.00 O ATOM 1480 OE2 GLU A 96 0.248 -10.744 -0.919 1.00 0.00 O ATOM 0 H GLU A 96 -1.243 -5.186 -2.193 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.942 -7.302 -2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.472 -7.345 -3.129 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.363 -7.275 -1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.820 -9.457 -1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.308 -9.548 -3.123 1.00 0.00 H new ATOM 1487 N ARG A 97 -2.501 -6.976 0.272 1.00 0.00 N ATOM 1488 CA ARG A 97 -3.088 -7.296 1.568 1.00 0.00 C ATOM 1489 C ARG A 97 -4.603 -7.117 1.538 1.00 0.00 C ATOM 1490 O ARG A 97 -5.351 -8.000 1.958 1.00 0.00 O ATOM 1491 CB ARG A 97 -2.481 -6.412 2.659 1.00 0.00 C ATOM 1492 CG ARG A 97 -1.025 -6.729 2.960 1.00 0.00 C ATOM 1493 CD ARG A 97 -0.650 -6.333 4.379 1.00 0.00 C ATOM 1494 NE ARG A 97 0.702 -6.760 4.728 1.00 0.00 N ATOM 1495 CZ ARG A 97 1.108 -6.967 5.976 1.00 0.00 C ATOM 1496 NH1 ARG A 97 0.271 -6.787 6.988 1.00 0.00 N ATOM 1497 NH2 ARG A 97 2.355 -7.355 6.213 1.00 0.00 N ATOM 0 H ARG A 97 -1.638 -6.435 0.321 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.867 -8.340 1.791 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.562 -5.368 2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.065 -6.524 3.573 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.847 -7.795 2.820 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.383 -6.203 2.253 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.727 -5.251 4.486 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -1.361 -6.774 5.078 1.00 0.00 H new ATOM 0 HE ARG A 97 1.371 -6.907 3.972 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.688 -6.489 6.810 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.586 -6.947 7.945 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.002 -7.494 5.437 1.00 0.00 H new ATOM 0 HH22 ARG A 97 2.666 -7.514 7.171 1.00 0.00 H new ATOM 1511 N HIS A 98 -5.048 -5.968 1.039 1.00 0.00 N ATOM 1512 CA HIS A 98 -6.474 -5.673 0.954 1.00 0.00 C ATOM 1513 C HIS A 98 -7.180 -6.662 0.031 1.00 0.00 C ATOM 1514 O HIS A 98 -8.253 -7.170 0.353 1.00 0.00 O ATOM 1515 CB HIS A 98 -6.692 -4.245 0.454 1.00 0.00 C ATOM 1516 CG HIS A 98 -6.362 -3.197 1.471 1.00 0.00 C ATOM 1517 ND1 HIS A 98 -7.048 -2.005 1.573 1.00 0.00 N ATOM 1518 CD2 HIS A 98 -5.413 -3.167 2.436 1.00 0.00 C ATOM 1519 CE1 HIS A 98 -6.535 -1.287 2.556 1.00 0.00 C ATOM 1520 NE2 HIS A 98 -5.541 -1.970 3.096 1.00 0.00 N ATOM 0 H HIS A 98 -4.442 -5.227 0.688 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.900 -5.769 1.953 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -6.081 -4.083 -0.434 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.733 -4.130 0.151 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.690 -3.941 2.647 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -6.871 -0.308 2.866 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -4.963 -1.658 3.876 1.00 0.00 H new ATOM 1529 N GLY A 99 -6.569 -6.930 -1.119 1.00 0.00 N ATOM 1530 CA GLY A 99 -7.153 -7.856 -2.071 1.00 0.00 C ATOM 1531 C GLY A 99 -7.466 -7.200 -3.401 1.00 0.00 C ATOM 1532 O GLY A 99 -8.450 -7.545 -4.057 1.00 0.00 O ATOM 0 H GLY A 99 -5.680 -6.522 -1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.467 -8.687 -2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.068 -8.274 -1.652 1.00 0.00 H new ATOM 1536 N LEU A 100 -6.629 -6.249 -3.801 1.00 0.00 N ATOM 1537 CA LEU A 100 -6.821 -5.541 -5.062 1.00 0.00 C ATOM 1538 C LEU A 100 -5.919 -6.112 -6.151 1.00 0.00 C ATOM 1539 O LEU A 100 -6.145 -5.884 -7.340 1.00 0.00 O ATOM 1540 CB LEU A 100 -6.537 -4.049 -4.880 1.00 0.00 C ATOM 1541 CG LEU A 100 -7.039 -3.424 -3.577 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -7.332 -1.945 -3.772 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -8.277 -4.154 -3.077 1.00 0.00 C ATOM 0 H LEU A 100 -5.811 -5.950 -3.270 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.858 -5.673 -5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.460 -3.894 -4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.985 -3.510 -5.715 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.256 -3.522 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.688 -1.518 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.422 -1.432 -4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.097 -1.824 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.620 -3.696 -2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.065 -4.089 -3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.034 -5.201 -2.896 1.00 0.00 H new ATOM 1555 N ILE A 101 -4.900 -6.857 -5.738 1.00 0.00 N ATOM 1556 CA ILE A 101 -3.966 -7.464 -6.678 1.00 0.00 C ATOM 1557 C ILE A 101 -3.538 -8.851 -6.211 1.00 0.00 C ATOM 1558 O ILE A 101 -3.380 -9.092 -5.015 1.00 0.00 O ATOM 1559 CB ILE A 101 -2.713 -6.590 -6.871 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -1.977 -6.415 -5.541 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -3.096 -5.237 -7.453 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -0.528 -6.012 -5.702 1.00 0.00 C ATOM 0 H ILE A 101 -4.700 -7.055 -4.758 1.00 0.00 H new ATOM 0 HA ILE A 101 -4.489 -7.550 -7.630 1.00 0.00 H new ATOM 0 HB ILE A 101 -2.044 -7.089 -7.572 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.492 -5.660 -4.946 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.026 -7.349 -4.982 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.200 -4.630 -7.584 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.581 -5.380 -8.418 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.782 -4.730 -6.774 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -0.069 -5.906 -4.719 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.002 -6.777 -6.270 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.471 -5.062 -6.233 1.00 0.00 H new ATOM 1574 N ASN A 102 -3.351 -9.759 -7.163 1.00 0.00 N ATOM 1575 CA ASN A 102 -2.939 -11.122 -6.849 1.00 0.00 C ATOM 1576 C ASN A 102 -4.035 -11.859 -6.085 1.00 0.00 C ATOM 1577 O ASN A 102 -3.797 -12.402 -5.006 1.00 0.00 O ATOM 1578 CB ASN A 102 -1.648 -11.110 -6.027 1.00 0.00 C ATOM 1579 CG ASN A 102 -0.549 -10.301 -6.687 1.00 0.00 C ATOM 1580 OD1 ASN A 102 -0.809 -9.487 -7.573 1.00 0.00 O ATOM 1581 ND2 ASN A 102 0.688 -10.523 -6.258 1.00 0.00 N ATOM 0 H ASN A 102 -3.478 -9.576 -8.158 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.759 -11.646 -7.788 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.854 -10.699 -5.039 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.304 -12.134 -5.881 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.469 -10.009 -6.666 1.00 0.00 H new ATOM 0 HD22 ASN A 102 0.857 -11.207 -5.521 1.00 0.00 H new ATOM 1588 N PHE A 103 -5.236 -11.874 -6.653 1.00 0.00 N ATOM 1589 CA PHE A 103 -6.370 -12.544 -6.026 1.00 0.00 C ATOM 1590 C PHE A 103 -6.942 -13.620 -6.945 1.00 0.00 C ATOM 1591 O PHE A 103 -8.103 -14.005 -6.820 1.00 0.00 O ATOM 1592 CB PHE A 103 -7.458 -11.528 -5.672 1.00 0.00 C ATOM 1593 CG PHE A 103 -7.767 -10.569 -6.786 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -8.147 -11.036 -8.034 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -7.679 -9.201 -6.584 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -8.433 -10.156 -9.061 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -7.964 -8.317 -7.607 1.00 0.00 C ATOM 1598 CZ PHE A 103 -8.341 -8.794 -8.847 1.00 0.00 C ATOM 0 H PHE A 103 -5.450 -11.430 -7.546 1.00 0.00 H new ATOM 0 HA PHE A 103 -6.018 -13.022 -5.112 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -8.368 -12.062 -5.400 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -7.145 -10.964 -4.794 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.221 -12.100 -8.206 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.385 -8.822 -5.617 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.728 -10.533 -10.029 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.892 -7.253 -7.437 1.00 0.00 H new ATOM 0 HZ PHE A 103 -8.563 -8.104 -9.648 1.00 0.00 H new ATOM 1608 N GLY A 104 -6.116 -14.100 -7.870 1.00 0.00 N ATOM 1609 CA GLY A 104 -6.557 -15.126 -8.797 1.00 0.00 C ATOM 1610 C GLY A 104 -5.418 -15.688 -9.625 1.00 0.00 C ATOM 1611 O GLY A 104 -5.525 -15.799 -10.846 1.00 0.00 O ATOM 0 H GLY A 104 -5.150 -13.797 -7.994 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.031 -15.935 -8.241 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -7.314 -14.710 -9.461 1.00 0.00 H new ATOM 1615 N ILE A 105 -4.324 -16.042 -8.959 1.00 0.00 N ATOM 1616 CA ILE A 105 -3.161 -16.595 -9.641 1.00 0.00 C ATOM 1617 C ILE A 105 -2.657 -17.851 -8.938 1.00 0.00 C ATOM 1618 O ILE A 105 -2.218 -18.802 -9.584 1.00 0.00 O ATOM 1619 CB ILE A 105 -2.014 -15.569 -9.719 1.00 0.00 C ATOM 1620 CG1 ILE A 105 -1.528 -15.207 -8.314 1.00 0.00 C ATOM 1621 CG2 ILE A 105 -2.467 -14.324 -10.466 1.00 0.00 C ATOM 1622 CD1 ILE A 105 -2.543 -14.429 -7.506 1.00 0.00 C ATOM 0 H ILE A 105 -4.219 -15.956 -7.948 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.479 -16.850 -10.652 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.184 -16.015 -10.266 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -1.274 -16.122 -7.779 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.613 -14.620 -8.395 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.646 -13.609 -10.513 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.769 -14.596 -11.477 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.311 -13.874 -9.944 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.131 -14.207 -6.522 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.779 -13.497 -8.019 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.451 -15.022 -7.394 1.00 0.00 H new