USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 888 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 121 SER OG : rot 63:sc= 0.716 USER MOD Set 1.2: A 125 GLN : amide:sc= -1.01 K(o=-0.3,f=-1.7!) USER MOD Set 2.1: A 23 ASN : amide:sc= 0.103 K(o=0.3,f=-0.28) USER MOD Set 2.2: A 92 SER OG : rot 131:sc= 0.2 USER MOD Set 3.1: A 29 SER OG : rot 166:sc= 1.25 USER MOD Set 3.2: A 143 SER OG : rot 148:sc= 1.25 USER MOD Set 4.1: A 14 SER OG : rot -80:sc= -1.18! USER MOD Set 4.2: A 104 ASN : amide:sc= -0.515 K(o=-1.7,f=-3) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.435 K(o=0.44,f=-4.1!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.062 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 45:sc= 0.338 USER MOD Single : A 40 SER OG : rot -100:sc= -0.08 USER MOD Single : A 41 GLN : amide:sc= -0.837 K(o=-0.84,f=-2.4!) USER MOD Single : A 42 GLN : amide:sc= -0.0261 K(o=-0.026,f=-0.81) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 53 GLN : amide:sc= -1.9! C(o=-1.9!,f=-4.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.313 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.35) USER MOD Single : A 65 ASN : amide:sc= -6.85! C(o=-6.8!,f=-14!) USER MOD Single : A 72 GLN : amide:sc= 0.493 K(o=0.49,f=-4.7!) USER MOD Single : A 75 SER OG : rot -57:sc= 1.23 USER MOD Single : A 86 TYR OH : rot 130:sc= -0.926 USER MOD Single : A 88 GLN : amide:sc= -1.64! C(o=-1.6!,f=-5.6!) USER MOD Single : A 91 SER OG : rot 102:sc= 1.19 USER MOD Single : A 96 ASN : amide:sc= -0.967 K(o=-0.97,f=-3.8!) USER MOD Single : A 101 ASN : amide:sc= -0.348 K(o=-0.35,f=-4.9!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 72:sc= 1.21 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -74:sc= 0.576 USER MOD Single : A 118 ASN : amide:sc= 0.987 K(o=0.99,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 130 ASN : amide:sc= -1.42! C(o=-1.4!,f=-3.8!) USER MOD Single : A 133 SER OG : rot 180:sc= -0.216 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 137 GLN : amide:sc= -1.56! K(o=-1.6!,f=-0.086) USER MOD Single : A 138 SER OG : rot 85:sc= 0.197 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0.0744 USER MOD Single : A 144 SER OG : rot -83:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 123 N GLY A 12 -2.038 -5.801 -13.392 1.00 0.00 N ATOM 124 CA GLY A 12 -1.863 -6.931 -14.280 1.00 0.00 C ATOM 125 C GLY A 12 -0.449 -7.026 -14.803 1.00 0.00 C ATOM 126 O GLY A 12 0.271 -7.966 -14.489 1.00 0.00 O ATOM 0 HA2 GLY A 12 -2.117 -7.850 -13.752 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.554 -6.844 -15.118 1.00 0.00 H new ATOM 130 N ALA A 13 -0.043 -6.041 -15.589 1.00 0.00 N ATOM 131 CA ALA A 13 1.307 -6.014 -16.155 1.00 0.00 C ATOM 132 C ALA A 13 2.346 -5.813 -15.061 1.00 0.00 C ATOM 133 O ALA A 13 3.474 -6.307 -15.153 1.00 0.00 O ATOM 134 CB ALA A 13 1.417 -4.913 -17.202 1.00 0.00 C ATOM 0 H ALA A 13 -0.626 -5.247 -15.853 1.00 0.00 H new ATOM 0 HA ALA A 13 1.499 -6.974 -16.635 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.426 -4.903 -17.615 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.699 -5.098 -18.001 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.205 -3.949 -16.740 1.00 0.00 H new ATOM 140 N SER A 14 1.960 -5.090 -14.027 1.00 0.00 N ATOM 141 CA SER A 14 2.825 -4.826 -12.903 1.00 0.00 C ATOM 142 C SER A 14 3.122 -6.110 -12.121 1.00 0.00 C ATOM 143 O SER A 14 4.127 -6.193 -11.426 1.00 0.00 O ATOM 144 CB SER A 14 2.163 -3.808 -11.988 1.00 0.00 C ATOM 145 OG SER A 14 1.494 -2.817 -12.745 1.00 0.00 O ATOM 0 H SER A 14 1.034 -4.670 -13.947 1.00 0.00 H new ATOM 0 HA SER A 14 3.770 -4.431 -13.277 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.454 -4.310 -11.329 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.914 -3.341 -11.351 1.00 0.00 H new ATOM 0 HG SER A 14 2.143 -2.157 -13.067 1.00 0.00 H new ATOM 151 N ALA A 15 2.251 -7.121 -12.272 1.00 0.00 N ATOM 152 CA ALA A 15 2.381 -8.391 -11.539 1.00 0.00 C ATOM 153 C ALA A 15 3.703 -9.099 -11.839 1.00 0.00 C ATOM 154 O ALA A 15 4.128 -9.978 -11.093 1.00 0.00 O ATOM 155 CB ALA A 15 1.210 -9.310 -11.847 1.00 0.00 C ATOM 0 H ALA A 15 1.446 -7.083 -12.898 1.00 0.00 H new ATOM 0 HA ALA A 15 2.374 -8.148 -10.476 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.325 -10.243 -11.296 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.280 -8.826 -11.551 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.185 -9.521 -12.916 1.00 0.00 H new ATOM 161 N GLY A 16 4.337 -8.724 -12.927 1.00 0.00 N ATOM 162 CA GLY A 16 5.603 -9.317 -13.266 1.00 0.00 C ATOM 163 C GLY A 16 6.772 -8.587 -12.627 1.00 0.00 C ATOM 164 O GLY A 16 7.686 -9.207 -12.081 1.00 0.00 O ATOM 0 H GLY A 16 3.999 -8.020 -13.583 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.610 -10.359 -12.947 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.724 -9.314 -14.349 1.00 0.00 H new ATOM 168 N LEU A 17 6.724 -7.267 -12.671 1.00 0.00 N ATOM 169 CA LEU A 17 7.817 -6.426 -12.179 1.00 0.00 C ATOM 170 C LEU A 17 7.761 -6.169 -10.670 1.00 0.00 C ATOM 171 O LEU A 17 8.772 -5.834 -10.072 1.00 0.00 O ATOM 172 CB LEU A 17 7.841 -5.098 -12.949 1.00 0.00 C ATOM 173 CG LEU A 17 6.529 -4.292 -12.934 1.00 0.00 C ATOM 174 CD1 LEU A 17 6.464 -3.349 -11.744 1.00 0.00 C ATOM 175 CD2 LEU A 17 6.342 -3.536 -14.233 1.00 0.00 C ATOM 0 H LEU A 17 5.933 -6.744 -13.046 1.00 0.00 H new ATOM 0 HA LEU A 17 8.740 -6.978 -12.357 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.634 -4.474 -12.536 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.106 -5.305 -13.986 1.00 0.00 H new ATOM 0 HG LEU A 17 5.710 -5.004 -12.833 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.524 -2.798 -11.768 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.524 -3.924 -10.820 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.297 -2.648 -11.790 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.408 -2.975 -14.196 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.174 -2.846 -14.376 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.309 -4.242 -15.063 1.00 0.00 H new ATOM 187 N ILE A 18 6.577 -6.315 -10.066 1.00 0.00 N ATOM 188 CA ILE A 18 6.375 -6.029 -8.623 1.00 0.00 C ATOM 189 C ILE A 18 7.455 -6.623 -7.725 1.00 0.00 C ATOM 190 O ILE A 18 7.989 -5.939 -6.852 1.00 0.00 O ATOM 191 CB ILE A 18 5.005 -6.524 -8.118 1.00 0.00 C ATOM 192 CG1 ILE A 18 4.713 -7.934 -8.648 1.00 0.00 C ATOM 193 CG2 ILE A 18 3.904 -5.547 -8.492 1.00 0.00 C ATOM 194 CD1 ILE A 18 3.435 -8.536 -8.113 1.00 0.00 C ATOM 0 H ILE A 18 5.735 -6.630 -10.548 1.00 0.00 H new ATOM 0 HA ILE A 18 6.428 -4.942 -8.556 1.00 0.00 H new ATOM 0 HB ILE A 18 5.037 -6.578 -7.030 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.659 -7.899 -9.736 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.546 -8.588 -8.391 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.947 -5.919 -8.125 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.112 -4.575 -8.044 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.861 -5.445 -9.576 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.298 -9.532 -8.533 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.492 -8.605 -7.027 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.591 -7.905 -8.392 1.00 0.00 H new ATOM 206 N SER A 19 7.771 -7.875 -7.940 1.00 0.00 N ATOM 207 CA SER A 19 8.733 -8.571 -7.119 1.00 0.00 C ATOM 208 C SER A 19 10.169 -8.111 -7.411 1.00 0.00 C ATOM 209 O SER A 19 11.063 -8.319 -6.608 1.00 0.00 O ATOM 210 CB SER A 19 8.589 -10.065 -7.336 1.00 0.00 C ATOM 211 OG SER A 19 7.225 -10.462 -7.234 1.00 0.00 O ATOM 0 H SER A 19 7.370 -8.441 -8.688 1.00 0.00 H new ATOM 0 HA SER A 19 8.532 -8.335 -6.074 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.978 -10.333 -8.318 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.185 -10.603 -6.599 1.00 0.00 H new ATOM 0 HG SER A 19 7.154 -11.429 -7.379 1.00 0.00 H new ATOM 217 N ARG A 20 10.374 -7.509 -8.575 1.00 0.00 N ATOM 218 CA ARG A 20 11.687 -7.015 -8.978 1.00 0.00 C ATOM 219 C ARG A 20 11.944 -5.611 -8.455 1.00 0.00 C ATOM 220 O ARG A 20 13.080 -5.259 -8.151 1.00 0.00 O ATOM 221 CB ARG A 20 11.800 -7.009 -10.493 1.00 0.00 C ATOM 222 CG ARG A 20 11.967 -8.372 -11.107 1.00 0.00 C ATOM 223 CD ARG A 20 12.203 -8.260 -12.600 1.00 0.00 C ATOM 224 NE ARG A 20 10.961 -8.313 -13.361 1.00 0.00 N ATOM 225 CZ ARG A 20 10.659 -7.500 -14.371 1.00 0.00 C ATOM 226 NH1 ARG A 20 11.480 -6.510 -14.709 1.00 0.00 N ATOM 227 NH2 ARG A 20 9.533 -7.677 -15.043 1.00 0.00 N ATOM 0 H ARG A 20 9.640 -7.349 -9.265 1.00 0.00 H new ATOM 0 HA ARG A 20 12.433 -7.685 -8.549 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.908 -6.542 -10.910 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.648 -6.388 -10.780 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.806 -8.887 -10.639 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.078 -8.973 -10.918 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.719 -7.324 -12.815 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.860 -9.068 -12.924 1.00 0.00 H new ATOM 0 HE ARG A 20 10.276 -9.022 -13.102 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.349 -6.369 -14.193 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.241 -5.892 -15.484 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.900 -8.434 -14.787 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.298 -7.056 -15.817 1.00 0.00 H new ATOM 241 N VAL A 21 10.878 -4.812 -8.370 1.00 0.00 N ATOM 242 CA VAL A 21 10.956 -3.413 -7.917 1.00 0.00 C ATOM 243 C VAL A 21 11.736 -3.293 -6.582 1.00 0.00 C ATOM 244 O VAL A 21 11.989 -4.289 -5.929 1.00 0.00 O ATOM 245 CB VAL A 21 9.520 -2.805 -7.782 1.00 0.00 C ATOM 246 CG1 VAL A 21 9.546 -1.352 -7.325 1.00 0.00 C ATOM 247 CG2 VAL A 21 8.771 -2.919 -9.100 1.00 0.00 C ATOM 0 H VAL A 21 9.934 -5.113 -8.612 1.00 0.00 H new ATOM 0 HA VAL A 21 11.505 -2.844 -8.668 1.00 0.00 H new ATOM 0 HB VAL A 21 9.001 -3.381 -7.015 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.526 -0.977 -7.247 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.033 -1.285 -6.352 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.098 -0.753 -8.049 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.774 -2.492 -8.990 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.314 -2.378 -9.875 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.687 -3.969 -9.381 1.00 0.00 H new ATOM 257 N ALA A 22 12.082 -2.050 -6.199 1.00 0.00 N ATOM 258 CA ALA A 22 12.888 -1.724 -5.001 1.00 0.00 C ATOM 259 C ALA A 22 12.614 -2.621 -3.777 1.00 0.00 C ATOM 260 O ALA A 22 13.503 -2.821 -2.956 1.00 0.00 O ATOM 261 CB ALA A 22 12.690 -0.262 -4.628 1.00 0.00 C ATOM 0 H ALA A 22 11.803 -1.222 -6.725 1.00 0.00 H new ATOM 0 HA ALA A 22 13.924 -1.917 -5.280 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.286 -0.028 -3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.006 0.371 -5.457 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.637 -0.081 -4.413 1.00 0.00 H new ATOM 267 N ASN A 23 11.397 -3.150 -3.656 1.00 0.00 N ATOM 268 CA ASN A 23 11.064 -4.051 -2.549 1.00 0.00 C ATOM 269 C ASN A 23 11.950 -5.307 -2.561 1.00 0.00 C ATOM 270 O ASN A 23 12.225 -5.886 -1.515 1.00 0.00 O ATOM 271 CB ASN A 23 9.575 -4.438 -2.567 1.00 0.00 C ATOM 272 CG ASN A 23 8.694 -3.404 -1.880 1.00 0.00 C ATOM 273 OD1 ASN A 23 8.512 -3.437 -0.665 1.00 0.00 O ATOM 274 ND2 ASN A 23 8.122 -2.499 -2.654 1.00 0.00 N ATOM 0 H ASN A 23 10.630 -2.973 -4.304 1.00 0.00 H new ATOM 0 HA ASN A 23 11.260 -3.509 -1.624 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.248 -4.561 -3.599 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.448 -5.403 -2.075 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.505 -1.796 -2.247 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.297 -2.503 -3.659 1.00 0.00 H new ATOM 281 N ALA A 24 12.401 -5.710 -3.751 1.00 0.00 N ATOM 282 CA ALA A 24 13.295 -6.859 -3.897 1.00 0.00 C ATOM 283 C ALA A 24 14.608 -6.583 -3.190 1.00 0.00 C ATOM 284 O ALA A 24 15.136 -7.431 -2.463 1.00 0.00 O ATOM 285 CB ALA A 24 13.558 -7.141 -5.365 1.00 0.00 C ATOM 0 H ALA A 24 12.160 -5.254 -4.631 1.00 0.00 H new ATOM 0 HA ALA A 24 12.818 -7.731 -3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 24 14.225 -7.998 -5.457 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.616 -7.358 -5.868 1.00 0.00 H new ATOM 0 HB3 ALA A 24 14.023 -6.269 -5.825 1.00 0.00 H new ATOM 291 N LEU A 25 15.123 -5.381 -3.407 1.00 0.00 N ATOM 292 CA LEU A 25 16.361 -4.945 -2.791 1.00 0.00 C ATOM 293 C LEU A 25 16.140 -4.660 -1.321 1.00 0.00 C ATOM 294 O LEU A 25 16.992 -4.959 -0.498 1.00 0.00 O ATOM 295 CB LEU A 25 16.921 -3.700 -3.499 1.00 0.00 C ATOM 296 CG LEU A 25 17.701 -3.943 -4.808 1.00 0.00 C ATOM 297 CD1 LEU A 25 18.971 -4.735 -4.540 1.00 0.00 C ATOM 298 CD2 LEU A 25 16.836 -4.651 -5.849 1.00 0.00 C ATOM 0 H LEU A 25 14.693 -4.684 -4.015 1.00 0.00 H new ATOM 0 HA LEU A 25 17.092 -5.747 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.090 -3.029 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 25 17.578 -3.178 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 25 17.979 -2.970 -5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 25 19.505 -4.895 -5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.607 -4.180 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 25 18.713 -5.699 -4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.416 -4.807 -6.759 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.510 -5.614 -5.457 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.964 -4.038 -6.075 1.00 0.00 H new ATOM 310 N ALA A 26 14.973 -4.079 -1.002 1.00 0.00 N ATOM 311 CA ALA A 26 14.604 -3.794 0.381 1.00 0.00 C ATOM 312 C ALA A 26 14.624 -5.082 1.183 1.00 0.00 C ATOM 313 O ALA A 26 15.053 -5.101 2.338 1.00 0.00 O ATOM 314 CB ALA A 26 13.222 -3.138 0.444 1.00 0.00 C ATOM 0 H ALA A 26 14.272 -3.800 -1.689 1.00 0.00 H new ATOM 0 HA ALA A 26 15.325 -3.097 0.809 1.00 0.00 H new ATOM 0 HB1 ALA A 26 12.964 -2.933 1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 26 13.237 -2.204 -0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.480 -3.810 0.012 1.00 0.00 H new ATOM 320 N ASN A 27 14.114 -6.154 0.551 1.00 0.00 N ATOM 321 CA ASN A 27 14.149 -7.520 1.091 1.00 0.00 C ATOM 322 C ASN A 27 13.536 -7.611 2.493 1.00 0.00 C ATOM 323 O ASN A 27 13.740 -8.593 3.221 1.00 0.00 O ATOM 324 CB ASN A 27 15.589 -8.030 1.080 1.00 0.00 C ATOM 325 CG ASN A 27 15.676 -9.512 0.805 1.00 0.00 C ATOM 326 OD1 ASN A 27 15.753 -10.332 1.722 1.00 0.00 O ATOM 327 ND2 ASN A 27 15.645 -9.870 -0.466 1.00 0.00 N ATOM 0 H ASN A 27 13.661 -6.093 -0.361 1.00 0.00 H new ATOM 0 HA ASN A 27 13.535 -8.155 0.452 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.157 -7.489 0.323 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.055 -7.814 2.042 1.00 0.00 H new ATOM 0 HD21 ASN A 27 15.685 -10.857 -0.719 1.00 0.00 H new ATOM 0 HD22 ASN A 27 15.581 -9.159 -1.195 1.00 0.00 H new ATOM 334 N THR A 28 12.765 -6.601 2.846 1.00 0.00 N ATOM 335 CA THR A 28 12.141 -6.517 4.140 1.00 0.00 C ATOM 336 C THR A 28 10.908 -7.438 4.205 1.00 0.00 C ATOM 337 O THR A 28 10.428 -7.927 3.180 1.00 0.00 O ATOM 338 CB THR A 28 11.735 -5.048 4.427 1.00 0.00 C ATOM 339 OG1 THR A 28 12.818 -4.179 4.057 1.00 0.00 O ATOM 340 CG2 THR A 28 11.417 -4.831 5.905 1.00 0.00 C ATOM 0 H THR A 28 12.556 -5.812 2.234 1.00 0.00 H new ATOM 0 HA THR A 28 12.851 -6.846 4.899 1.00 0.00 H new ATOM 0 HB THR A 28 10.840 -4.826 3.845 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.566 -3.249 4.235 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.137 -3.790 6.068 1.00 0.00 H new ATOM 0 HG22 THR A 28 10.591 -5.479 6.199 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.296 -5.068 6.505 1.00 0.00 H new ATOM 348 N SER A 29 10.411 -7.670 5.406 1.00 0.00 N ATOM 349 CA SER A 29 9.254 -8.522 5.628 1.00 0.00 C ATOM 350 C SER A 29 7.995 -7.987 4.918 1.00 0.00 C ATOM 351 O SER A 29 7.038 -8.732 4.713 1.00 0.00 O ATOM 352 CB SER A 29 8.995 -8.613 7.120 1.00 0.00 C ATOM 353 OG SER A 29 10.173 -8.964 7.817 1.00 0.00 O ATOM 0 H SER A 29 10.800 -7.271 6.260 1.00 0.00 H new ATOM 0 HA SER A 29 9.470 -9.506 5.211 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.622 -7.657 7.487 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.219 -9.354 7.314 1.00 0.00 H new ATOM 0 HG SER A 29 10.046 -8.804 8.775 1.00 0.00 H new ATOM 359 N THR A 30 8.036 -6.709 4.528 1.00 0.00 N ATOM 360 CA THR A 30 6.907 -6.002 3.904 1.00 0.00 C ATOM 361 C THR A 30 6.313 -6.736 2.698 1.00 0.00 C ATOM 362 O THR A 30 5.113 -6.673 2.458 1.00 0.00 O ATOM 363 CB THR A 30 7.342 -4.597 3.463 1.00 0.00 C ATOM 364 OG1 THR A 30 8.601 -4.680 2.773 1.00 0.00 O ATOM 365 CG2 THR A 30 7.486 -3.681 4.659 1.00 0.00 C ATOM 0 H THR A 30 8.866 -6.126 4.637 1.00 0.00 H new ATOM 0 HA THR A 30 6.130 -5.949 4.666 1.00 0.00 H new ATOM 0 HB THR A 30 6.579 -4.189 2.800 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.878 -3.784 2.490 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.795 -2.691 4.324 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.530 -3.607 5.178 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.237 -4.085 5.338 1.00 0.00 H new ATOM 373 N LEU A 31 7.150 -7.411 1.946 1.00 0.00 N ATOM 374 CA LEU A 31 6.689 -8.125 0.760 1.00 0.00 C ATOM 375 C LEU A 31 6.710 -9.633 0.977 1.00 0.00 C ATOM 376 O LEU A 31 6.011 -10.380 0.292 1.00 0.00 O ATOM 377 CB LEU A 31 7.537 -7.761 -0.480 1.00 0.00 C ATOM 378 CG LEU A 31 9.038 -8.101 -0.419 1.00 0.00 C ATOM 379 CD1 LEU A 31 9.585 -8.329 -1.821 1.00 0.00 C ATOM 380 CD2 LEU A 31 9.822 -6.985 0.268 1.00 0.00 C ATOM 0 H LEU A 31 8.151 -7.486 2.126 1.00 0.00 H new ATOM 0 HA LEU A 31 5.660 -7.815 0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.109 -8.268 -1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.438 -6.690 -0.657 1.00 0.00 H new ATOM 0 HG LEU A 31 9.154 -9.015 0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.647 -8.568 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.052 -9.156 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.449 -7.426 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.879 -7.249 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.696 -6.056 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.451 -6.853 1.284 1.00 0.00 H new ATOM 392 N ARG A 32 7.508 -10.073 1.935 1.00 0.00 N ATOM 393 CA ARG A 32 7.693 -11.496 2.181 1.00 0.00 C ATOM 394 C ARG A 32 6.547 -12.119 2.991 1.00 0.00 C ATOM 395 O ARG A 32 6.089 -13.218 2.675 1.00 0.00 O ATOM 396 CB ARG A 32 9.038 -11.741 2.863 1.00 0.00 C ATOM 397 CG ARG A 32 9.372 -13.211 3.067 1.00 0.00 C ATOM 398 CD ARG A 32 10.826 -13.390 3.456 1.00 0.00 C ATOM 399 NE ARG A 32 11.728 -12.947 2.391 1.00 0.00 N ATOM 400 CZ ARG A 32 12.643 -11.982 2.517 1.00 0.00 C ATOM 401 NH1 ARG A 32 12.756 -11.299 3.657 1.00 0.00 N ATOM 402 NH2 ARG A 32 13.430 -11.688 1.496 1.00 0.00 N ATOM 0 H ARG A 32 8.040 -9.465 2.557 1.00 0.00 H new ATOM 0 HA ARG A 32 7.685 -11.992 1.210 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.825 -11.280 2.266 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.038 -11.241 3.832 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.730 -13.629 3.843 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.166 -13.765 2.151 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.032 -12.826 4.366 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.016 -14.439 3.682 1.00 0.00 H new ATOM 0 HE ARG A 32 11.652 -13.410 1.485 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.141 -11.512 4.442 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.458 -10.564 3.744 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.337 -12.197 0.617 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.130 -10.952 1.587 1.00 0.00 H new ATOM 416 N THR A 33 6.085 -11.428 4.030 1.00 0.00 N ATOM 417 CA THR A 33 5.023 -11.976 4.869 1.00 0.00 C ATOM 418 C THR A 33 4.269 -10.880 5.643 1.00 0.00 C ATOM 419 O THR A 33 3.042 -10.824 5.604 1.00 0.00 O ATOM 420 CB THR A 33 5.563 -13.078 5.840 1.00 0.00 C ATOM 421 OG1 THR A 33 4.516 -13.555 6.692 1.00 0.00 O ATOM 422 CG2 THR A 33 6.720 -12.561 6.690 1.00 0.00 C ATOM 0 H THR A 33 6.421 -10.506 4.308 1.00 0.00 H new ATOM 0 HA THR A 33 4.307 -12.447 4.195 1.00 0.00 H new ATOM 0 HB THR A 33 5.931 -13.899 5.225 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.871 -14.244 7.291 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.068 -13.354 7.352 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.536 -12.246 6.040 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.383 -11.713 7.286 1.00 0.00 H new ATOM 430 N VAL A 34 4.998 -10.009 6.326 1.00 0.00 N ATOM 431 CA VAL A 34 4.373 -8.921 7.067 1.00 0.00 C ATOM 432 C VAL A 34 3.810 -7.909 6.091 1.00 0.00 C ATOM 433 O VAL A 34 4.501 -7.492 5.171 1.00 0.00 O ATOM 434 CB VAL A 34 5.378 -8.220 8.011 1.00 0.00 C ATOM 435 CG1 VAL A 34 4.718 -7.063 8.747 1.00 0.00 C ATOM 436 CG2 VAL A 34 5.969 -9.214 9.000 1.00 0.00 C ATOM 0 H VAL A 34 6.016 -10.033 6.383 1.00 0.00 H new ATOM 0 HA VAL A 34 3.576 -9.344 7.679 1.00 0.00 H new ATOM 0 HB VAL A 34 6.187 -7.817 7.402 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.446 -6.587 9.404 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.351 -6.334 8.024 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.884 -7.438 9.340 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.673 -8.701 9.655 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.170 -9.651 9.598 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.488 -10.003 8.456 1.00 0.00 H new ATOM 446 N LEU A 35 2.551 -7.539 6.286 1.00 0.00 N ATOM 447 CA LEU A 35 1.870 -6.601 5.394 1.00 0.00 C ATOM 448 C LEU A 35 2.694 -5.341 5.162 1.00 0.00 C ATOM 449 O LEU A 35 3.330 -4.816 6.085 1.00 0.00 O ATOM 450 CB LEU A 35 0.466 -6.232 5.907 1.00 0.00 C ATOM 451 CG LEU A 35 0.391 -5.506 7.258 1.00 0.00 C ATOM 452 CD1 LEU A 35 -0.878 -4.675 7.336 1.00 0.00 C ATOM 453 CD2 LEU A 35 0.433 -6.500 8.414 1.00 0.00 C ATOM 0 H LEU A 35 1.975 -7.875 7.058 1.00 0.00 H new ATOM 0 HA LEU A 35 1.756 -7.115 4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.016 -5.605 5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.120 -7.148 5.981 1.00 0.00 H new ATOM 0 HG LEU A 35 1.256 -4.848 7.338 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.920 -4.165 8.298 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.880 -3.937 6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.746 -5.326 7.232 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.378 -5.961 9.360 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.412 -7.184 8.337 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.363 -7.067 8.373 1.00 0.00 H new ATOM 465 N ARG A 36 2.682 -4.875 3.924 1.00 0.00 N ATOM 466 CA ARG A 36 3.442 -3.700 3.532 1.00 0.00 C ATOM 467 C ARG A 36 3.009 -2.460 4.305 1.00 0.00 C ATOM 468 O ARG A 36 1.896 -2.390 4.844 1.00 0.00 O ATOM 469 CB ARG A 36 3.302 -3.433 2.031 1.00 0.00 C ATOM 470 CG ARG A 36 1.893 -3.053 1.607 1.00 0.00 C ATOM 471 CD ARG A 36 1.888 -2.388 0.246 1.00 0.00 C ATOM 472 NE ARG A 36 0.548 -1.946 -0.146 1.00 0.00 N ATOM 473 CZ ARG A 36 0.061 -0.718 0.080 1.00 0.00 C ATOM 474 NH1 ARG A 36 0.794 0.184 0.724 1.00 0.00 N ATOM 475 NH2 ARG A 36 -1.162 -0.397 -0.341 1.00 0.00 N ATOM 0 H ARG A 36 2.148 -5.299 3.165 1.00 0.00 H new ATOM 0 HA ARG A 36 4.485 -3.908 3.768 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.985 -2.632 1.748 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.609 -4.323 1.482 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.266 -3.944 1.581 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.458 -2.379 2.345 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.562 -1.532 0.259 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.272 -3.085 -0.499 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.054 -2.617 -0.623 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.731 -0.057 1.048 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.420 1.118 0.894 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.728 -1.086 -0.836 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.532 0.538 -0.168 1.00 0.00 H new ATOM 489 N THR A 37 3.881 -1.481 4.330 1.00 0.00 N ATOM 490 CA THR A 37 3.629 -0.252 5.018 1.00 0.00 C ATOM 491 C THR A 37 2.696 0.641 4.217 1.00 0.00 C ATOM 492 O THR A 37 2.750 0.669 2.977 1.00 0.00 O ATOM 493 CB THR A 37 4.941 0.477 5.311 1.00 0.00 C ATOM 494 OG1 THR A 37 5.843 0.302 4.210 1.00 0.00 O ATOM 495 CG2 THR A 37 5.575 -0.062 6.581 1.00 0.00 C ATOM 0 H THR A 37 4.790 -1.522 3.868 1.00 0.00 H new ATOM 0 HA THR A 37 3.142 -0.490 5.964 1.00 0.00 H new ATOM 0 HB THR A 37 4.731 1.538 5.448 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.362 0.441 3.368 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.508 0.467 6.775 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.893 0.085 7.419 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.780 -1.126 6.462 1.00 0.00 H new ATOM 503 N GLY A 38 1.818 1.338 4.921 1.00 0.00 N ATOM 504 CA GLY A 38 0.880 2.212 4.271 1.00 0.00 C ATOM 505 C GLY A 38 -0.152 1.436 3.493 1.00 0.00 C ATOM 506 O GLY A 38 -0.602 1.881 2.429 1.00 0.00 O ATOM 0 H GLY A 38 1.743 1.310 5.938 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.384 2.833 5.016 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.413 2.885 3.599 1.00 0.00 H new ATOM 510 N VAL A 39 -0.495 0.250 4.000 1.00 0.00 N ATOM 511 CA VAL A 39 -1.473 -0.607 3.357 1.00 0.00 C ATOM 512 C VAL A 39 -2.802 0.136 3.158 1.00 0.00 C ATOM 513 O VAL A 39 -3.175 1.003 3.951 1.00 0.00 O ATOM 514 CB VAL A 39 -1.688 -1.928 4.146 1.00 0.00 C ATOM 515 CG1 VAL A 39 -2.495 -1.706 5.418 1.00 0.00 C ATOM 516 CG2 VAL A 39 -2.321 -2.992 3.263 1.00 0.00 C ATOM 0 H VAL A 39 -0.103 -0.134 4.860 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.079 -0.875 2.376 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.706 -2.288 4.454 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.622 -2.655 5.939 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.968 -1.005 6.065 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.473 -1.299 5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.461 -3.907 3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.287 -2.638 2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.669 -3.194 2.413 1.00 0.00 H new ATOM 526 N SER A 40 -3.494 -0.203 2.095 1.00 0.00 N ATOM 527 CA SER A 40 -4.706 0.490 1.725 1.00 0.00 C ATOM 528 C SER A 40 -5.948 -0.347 2.003 1.00 0.00 C ATOM 529 O SER A 40 -5.869 -1.575 2.138 1.00 0.00 O ATOM 530 CB SER A 40 -4.632 0.850 0.252 1.00 0.00 C ATOM 531 OG SER A 40 -3.386 1.465 -0.044 1.00 0.00 O ATOM 0 H SER A 40 -3.235 -0.963 1.466 1.00 0.00 H new ATOM 0 HA SER A 40 -4.789 1.392 2.331 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.756 -0.047 -0.355 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.448 1.525 -0.006 1.00 0.00 H new ATOM 0 HG SER A 40 -3.503 2.437 -0.086 1.00 0.00 H new ATOM 537 N GLN A 41 -7.103 0.325 2.054 1.00 0.00 N ATOM 538 CA GLN A 41 -8.382 -0.334 2.323 1.00 0.00 C ATOM 539 C GLN A 41 -8.771 -1.280 1.197 1.00 0.00 C ATOM 540 O GLN A 41 -9.669 -2.080 1.347 1.00 0.00 O ATOM 541 CB GLN A 41 -9.502 0.690 2.522 1.00 0.00 C ATOM 542 CG GLN A 41 -9.839 1.480 1.265 1.00 0.00 C ATOM 543 CD GLN A 41 -11.167 2.203 1.359 1.00 0.00 C ATOM 544 OE1 GLN A 41 -11.594 2.618 2.432 1.00 0.00 O ATOM 545 NE2 GLN A 41 -11.836 2.340 0.233 1.00 0.00 N ATOM 0 H GLN A 41 -7.176 1.332 1.911 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.251 -0.908 3.240 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.398 0.173 2.867 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.211 1.385 3.310 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.049 2.206 1.076 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.860 0.803 0.411 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.446 1.981 -0.639 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.744 2.805 0.232 1.00 0.00 H new ATOM 554 N GLN A 42 -8.097 -1.167 0.067 1.00 0.00 N ATOM 555 CA GLN A 42 -8.377 -2.025 -1.076 1.00 0.00 C ATOM 556 C GLN A 42 -8.286 -3.495 -0.685 1.00 0.00 C ATOM 557 O GLN A 42 -9.129 -4.300 -1.068 1.00 0.00 O ATOM 558 CB GLN A 42 -7.409 -1.716 -2.218 1.00 0.00 C ATOM 559 CG GLN A 42 -7.558 -0.309 -2.766 1.00 0.00 C ATOM 560 CD GLN A 42 -8.852 -0.114 -3.536 1.00 0.00 C ATOM 561 OE1 GLN A 42 -9.364 -1.042 -4.168 1.00 0.00 O ATOM 562 NE2 GLN A 42 -9.386 1.088 -3.493 1.00 0.00 N ATOM 0 H GLN A 42 -7.350 -0.489 -0.086 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.394 -1.826 -1.414 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.387 -1.855 -1.866 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.569 -2.432 -3.025 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.520 0.403 -1.942 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.714 -0.087 -3.419 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.932 1.829 -2.959 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.254 1.279 -3.994 1.00 0.00 H new ATOM 571 N ILE A 43 -7.259 -3.837 0.075 1.00 0.00 N ATOM 572 CA ILE A 43 -7.064 -5.209 0.517 1.00 0.00 C ATOM 573 C ILE A 43 -7.829 -5.523 1.821 1.00 0.00 C ATOM 574 O ILE A 43 -8.340 -6.627 2.000 1.00 0.00 O ATOM 575 CB ILE A 43 -5.544 -5.555 0.670 1.00 0.00 C ATOM 576 CG1 ILE A 43 -4.859 -4.681 1.729 1.00 0.00 C ATOM 577 CG2 ILE A 43 -4.834 -5.406 -0.663 1.00 0.00 C ATOM 578 CD1 ILE A 43 -4.943 -5.238 3.140 1.00 0.00 C ATOM 0 H ILE A 43 -6.546 -3.183 0.399 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.481 -5.844 -0.264 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.479 -6.591 1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.810 -4.558 1.460 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.311 -3.689 1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.778 -5.649 -0.542 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.281 -6.083 -1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.931 -4.379 -1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.435 -4.562 3.829 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.989 -5.335 3.431 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.465 -6.217 3.174 1.00 0.00 H new ATOM 590 N ALA A 44 -7.895 -4.541 2.721 1.00 0.00 N ATOM 591 CA ALA A 44 -8.490 -4.737 4.046 1.00 0.00 C ATOM 592 C ALA A 44 -10.003 -4.591 4.041 1.00 0.00 C ATOM 593 O ALA A 44 -10.705 -5.338 4.730 1.00 0.00 O ATOM 594 CB ALA A 44 -7.874 -3.769 5.046 1.00 0.00 C ATOM 0 H ALA A 44 -7.543 -3.598 2.557 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.271 -5.763 4.343 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.324 -3.924 6.027 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.800 -3.944 5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.057 -2.745 4.721 1.00 0.00 H new ATOM 600 N SER A 45 -10.486 -3.612 3.280 1.00 0.00 N ATOM 601 CA SER A 45 -11.921 -3.262 3.190 1.00 0.00 C ATOM 602 C SER A 45 -12.368 -2.455 4.382 1.00 0.00 C ATOM 603 O SER A 45 -13.409 -1.794 4.346 1.00 0.00 O ATOM 604 CB SER A 45 -12.808 -4.490 2.995 1.00 0.00 C ATOM 605 OG SER A 45 -12.352 -5.283 1.909 1.00 0.00 O ATOM 0 H SER A 45 -9.891 -3.024 2.696 1.00 0.00 H new ATOM 0 HA SER A 45 -12.034 -2.642 2.301 1.00 0.00 H new ATOM 0 HB2 SER A 45 -12.814 -5.086 3.907 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.836 -4.175 2.813 1.00 0.00 H new ATOM 0 HG SER A 45 -12.936 -6.064 1.806 1.00 0.00 H new ATOM 611 N SER A 46 -11.592 -2.511 5.431 1.00 0.00 N ATOM 612 CA SER A 46 -11.886 -1.811 6.609 1.00 0.00 C ATOM 613 C SER A 46 -11.560 -0.324 6.451 1.00 0.00 C ATOM 614 O SER A 46 -11.380 0.194 5.351 1.00 0.00 O ATOM 615 CB SER A 46 -11.085 -2.420 7.762 1.00 0.00 C ATOM 616 OG SER A 46 -11.198 -3.833 7.763 1.00 0.00 O ATOM 0 H SER A 46 -10.731 -3.057 5.471 1.00 0.00 H new ATOM 0 HA SER A 46 -12.951 -1.894 6.823 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.037 -2.135 7.673 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.444 -2.021 8.711 1.00 0.00 H new ATOM 0 HG SER A 46 -10.677 -4.202 8.507 1.00 0.00 H new ATOM 622 N VAL A 47 -11.458 0.305 7.561 1.00 0.00 N ATOM 623 CA VAL A 47 -11.226 1.744 7.673 1.00 0.00 C ATOM 624 C VAL A 47 -9.784 2.132 7.344 1.00 0.00 C ATOM 625 O VAL A 47 -9.497 3.294 7.051 1.00 0.00 O ATOM 626 CB VAL A 47 -11.579 2.246 9.091 1.00 0.00 C ATOM 627 CG1 VAL A 47 -13.057 2.026 9.369 1.00 0.00 C ATOM 628 CG2 VAL A 47 -10.726 1.545 10.147 1.00 0.00 C ATOM 0 H VAL A 47 -11.533 -0.161 8.465 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.877 2.219 6.940 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.366 3.314 9.141 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.296 2.383 10.371 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.650 2.574 8.637 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -13.286 0.963 9.299 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.994 1.916 11.136 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.902 0.470 10.103 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.672 1.748 9.957 1.00 0.00 H new ATOM 638 N VAL A 48 -8.885 1.167 7.427 1.00 0.00 N ATOM 639 CA VAL A 48 -7.464 1.409 7.200 1.00 0.00 C ATOM 640 C VAL A 48 -7.174 1.725 5.725 1.00 0.00 C ATOM 641 O VAL A 48 -6.860 0.835 4.943 1.00 0.00 O ATOM 642 CB VAL A 48 -6.617 0.193 7.627 1.00 0.00 C ATOM 643 CG1 VAL A 48 -5.139 0.554 7.702 1.00 0.00 C ATOM 644 CG2 VAL A 48 -7.114 -0.368 8.945 1.00 0.00 C ATOM 0 H VAL A 48 -9.113 0.199 7.652 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.192 2.272 7.808 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.727 -0.582 6.868 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.565 -0.322 8.005 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.797 0.891 6.724 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.996 1.352 8.431 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.503 -1.225 9.229 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.044 0.399 9.716 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.152 -0.682 8.838 1.00 0.00 H new ATOM 654 N GLN A 49 -7.329 2.985 5.353 1.00 0.00 N ATOM 655 CA GLN A 49 -7.072 3.424 3.984 1.00 0.00 C ATOM 656 C GLN A 49 -5.592 3.712 3.748 1.00 0.00 C ATOM 657 O GLN A 49 -5.033 3.345 2.718 1.00 0.00 O ATOM 658 CB GLN A 49 -7.888 4.668 3.660 1.00 0.00 C ATOM 659 CG GLN A 49 -9.387 4.462 3.750 1.00 0.00 C ATOM 660 CD GLN A 49 -10.164 5.663 3.258 1.00 0.00 C ATOM 661 OE1 GLN A 49 -9.698 6.405 2.395 1.00 0.00 O ATOM 662 NE2 GLN A 49 -11.355 5.852 3.786 1.00 0.00 N ATOM 0 H GLN A 49 -7.633 3.729 5.981 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.370 2.609 3.325 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.600 5.467 4.343 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.637 5.003 2.653 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -9.667 3.587 3.164 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.661 4.254 4.784 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.704 5.212 4.500 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.929 6.638 3.481 1.00 0.00 H new ATOM 671 N ARG A 50 -4.978 4.393 4.699 1.00 0.00 N ATOM 672 CA ARG A 50 -3.573 4.784 4.590 1.00 0.00 C ATOM 673 C ARG A 50 -2.807 4.450 5.865 1.00 0.00 C ATOM 674 O ARG A 50 -1.583 4.530 5.893 1.00 0.00 O ATOM 675 CB ARG A 50 -3.489 6.305 4.300 1.00 0.00 C ATOM 676 CG ARG A 50 -2.099 6.929 4.447 1.00 0.00 C ATOM 677 CD ARG A 50 -2.108 8.404 4.066 1.00 0.00 C ATOM 678 NE ARG A 50 -0.956 9.137 4.590 1.00 0.00 N ATOM 679 CZ ARG A 50 -0.630 10.389 4.228 1.00 0.00 C ATOM 680 NH1 ARG A 50 -1.319 11.017 3.278 1.00 0.00 N ATOM 681 NH2 ARG A 50 0.388 11.005 4.807 1.00 0.00 N ATOM 0 H ARG A 50 -5.429 4.691 5.564 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.117 4.226 3.773 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.842 6.483 3.284 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.174 6.823 4.971 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.757 6.820 5.476 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.390 6.393 3.816 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.125 8.493 2.980 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.024 8.864 4.437 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.362 8.668 5.274 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.100 10.548 2.820 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.066 11.968 3.008 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.927 10.529 5.530 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.633 11.956 4.530 1.00 0.00 H new ATOM 695 N ALA A 51 -3.543 4.071 6.916 1.00 0.00 N ATOM 696 CA ALA A 51 -2.974 3.822 8.258 1.00 0.00 C ATOM 697 C ALA A 51 -2.603 5.144 8.942 1.00 0.00 C ATOM 698 O ALA A 51 -2.752 5.289 10.147 1.00 0.00 O ATOM 699 CB ALA A 51 -1.779 2.861 8.214 1.00 0.00 C ATOM 0 H ALA A 51 -4.551 3.926 6.866 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.745 3.332 8.853 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.396 2.710 9.223 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.097 1.904 7.799 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.994 3.285 7.588 1.00 0.00 H new ATOM 705 N ALA A 52 -2.113 6.103 8.160 1.00 0.00 N ATOM 706 CA ALA A 52 -1.802 7.426 8.677 1.00 0.00 C ATOM 707 C ALA A 52 -3.065 8.253 8.784 1.00 0.00 C ATOM 708 O ALA A 52 -3.998 8.087 7.993 1.00 0.00 O ATOM 709 CB ALA A 52 -0.786 8.132 7.806 1.00 0.00 C ATOM 0 H ALA A 52 -1.924 5.985 7.165 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.367 7.307 9.669 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.575 9.118 8.219 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.134 7.548 7.773 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.184 8.239 6.797 1.00 0.00 H new ATOM 715 N GLN A 53 -3.062 9.164 9.724 1.00 0.00 N ATOM 716 CA GLN A 53 -4.222 9.982 10.060 1.00 0.00 C ATOM 717 C GLN A 53 -4.779 10.765 8.863 1.00 0.00 C ATOM 718 O GLN A 53 -5.976 10.941 8.758 1.00 0.00 O ATOM 719 CB GLN A 53 -3.879 10.954 11.206 1.00 0.00 C ATOM 720 CG GLN A 53 -3.373 10.277 12.486 1.00 0.00 C ATOM 721 CD GLN A 53 -1.980 9.681 12.340 1.00 0.00 C ATOM 722 OE1 GLN A 53 -1.140 10.197 11.603 1.00 0.00 O ATOM 723 NE2 GLN A 53 -1.742 8.577 13.009 1.00 0.00 N ATOM 0 H GLN A 53 -2.242 9.369 10.294 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.003 9.291 10.378 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.120 11.654 10.856 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.766 11.539 11.446 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.366 11.006 13.296 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.070 9.489 12.772 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.464 8.179 13.610 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.835 8.117 12.928 1.00 0.00 H new ATOM 732 N SER A 54 -3.912 11.204 7.964 1.00 0.00 N ATOM 733 CA SER A 54 -4.331 12.035 6.831 1.00 0.00 C ATOM 734 C SER A 54 -5.460 11.396 5.993 1.00 0.00 C ATOM 735 O SER A 54 -6.603 11.851 6.028 1.00 0.00 O ATOM 736 CB SER A 54 -3.130 12.356 5.943 1.00 0.00 C ATOM 737 OG SER A 54 -2.083 12.935 6.699 1.00 0.00 O ATOM 0 H SER A 54 -2.913 11.002 7.991 1.00 0.00 H new ATOM 0 HA SER A 54 -4.738 12.955 7.250 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.775 11.445 5.461 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.432 13.039 5.149 1.00 0.00 H new ATOM 0 HG SER A 54 -1.324 13.131 6.111 1.00 0.00 H new ATOM 743 N LEU A 55 -5.137 10.344 5.258 1.00 0.00 N ATOM 744 CA LEU A 55 -6.108 9.717 4.356 1.00 0.00 C ATOM 745 C LEU A 55 -6.975 8.674 5.068 1.00 0.00 C ATOM 746 O LEU A 55 -8.092 8.396 4.645 1.00 0.00 O ATOM 747 CB LEU A 55 -5.381 9.081 3.166 1.00 0.00 C ATOM 748 CG LEU A 55 -6.262 8.445 2.087 1.00 0.00 C ATOM 749 CD1 LEU A 55 -7.126 9.498 1.404 1.00 0.00 C ATOM 750 CD2 LEU A 55 -5.400 7.710 1.067 1.00 0.00 C ATOM 0 H LEU A 55 -4.217 9.903 5.263 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.777 10.500 4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.764 9.846 2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.705 8.317 3.548 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.925 7.723 2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.743 9.023 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.767 9.978 2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.486 10.247 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.039 7.263 0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.713 8.414 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.831 6.927 1.568 1.00 0.00 H new ATOM 762 N ALA A 56 -6.463 8.108 6.149 1.00 0.00 N ATOM 763 CA ALA A 56 -7.181 7.056 6.852 1.00 0.00 C ATOM 764 C ALA A 56 -8.260 7.592 7.769 1.00 0.00 C ATOM 765 O ALA A 56 -9.136 6.836 8.183 1.00 0.00 O ATOM 766 CB ALA A 56 -6.239 6.153 7.620 1.00 0.00 C ATOM 0 H ALA A 56 -5.561 8.356 6.556 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.675 6.466 6.080 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.812 5.380 8.132 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.537 5.686 6.928 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.688 6.742 8.354 1.00 0.00 H new ATOM 772 N SER A 57 -8.181 8.878 8.126 1.00 0.00 N ATOM 773 CA SER A 57 -9.158 9.467 9.031 1.00 0.00 C ATOM 774 C SER A 57 -10.546 9.510 8.402 1.00 0.00 C ATOM 775 O SER A 57 -10.982 10.527 7.868 1.00 0.00 O ATOM 776 CB SER A 57 -8.741 10.860 9.495 1.00 0.00 C ATOM 777 OG SER A 57 -9.478 11.249 10.643 1.00 0.00 O ATOM 0 H SER A 57 -7.457 9.520 7.803 1.00 0.00 H new ATOM 0 HA SER A 57 -9.198 8.822 9.909 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.675 10.869 9.721 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.903 11.579 8.692 1.00 0.00 H new ATOM 0 HG SER A 57 -9.195 12.144 10.926 1.00 0.00 H new ATOM 783 N THR A 58 -11.201 8.382 8.439 1.00 0.00 N ATOM 784 CA THR A 58 -12.535 8.241 7.943 1.00 0.00 C ATOM 785 C THR A 58 -13.508 8.265 9.118 1.00 0.00 C ATOM 786 O THR A 58 -14.659 8.672 8.988 1.00 0.00 O ATOM 787 CB THR A 58 -12.668 6.915 7.150 1.00 0.00 C ATOM 788 OG1 THR A 58 -14.005 6.748 6.664 1.00 0.00 O ATOM 789 CG2 THR A 58 -12.281 5.721 8.019 1.00 0.00 C ATOM 0 H THR A 58 -10.812 7.521 8.823 1.00 0.00 H new ATOM 0 HA THR A 58 -12.768 9.065 7.269 1.00 0.00 H new ATOM 0 HB THR A 58 -11.987 6.965 6.300 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.069 5.907 6.165 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.382 4.802 7.441 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.248 5.830 8.348 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.936 5.677 8.889 1.00 0.00 H new ATOM 797 N LEU A 59 -13.019 7.821 10.267 1.00 0.00 N ATOM 798 CA LEU A 59 -13.789 7.809 11.497 1.00 0.00 C ATOM 799 C LEU A 59 -13.069 8.615 12.571 1.00 0.00 C ATOM 800 O LEU A 59 -13.336 8.463 13.764 1.00 0.00 O ATOM 801 CB LEU A 59 -14.003 6.369 11.977 1.00 0.00 C ATOM 802 CG LEU A 59 -14.908 5.498 11.104 1.00 0.00 C ATOM 803 CD1 LEU A 59 -14.970 4.088 11.654 1.00 0.00 C ATOM 804 CD2 LEU A 59 -16.305 6.096 11.013 1.00 0.00 C ATOM 0 H LEU A 59 -12.072 7.458 10.370 1.00 0.00 H new ATOM 0 HA LEU A 59 -14.762 8.262 11.305 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.030 5.884 12.053 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.423 6.401 12.982 1.00 0.00 H new ATOM 0 HG LEU A 59 -14.486 5.462 10.100 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -15.618 3.479 11.023 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -13.968 3.658 11.667 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -15.369 4.110 12.668 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -16.933 5.461 10.388 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.738 6.163 12.011 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.246 7.092 10.575 1.00 0.00 H new ATOM 816 N GLY A 60 -12.154 9.472 12.139 1.00 0.00 N ATOM 817 CA GLY A 60 -11.386 10.253 13.079 1.00 0.00 C ATOM 818 C GLY A 60 -10.204 9.482 13.613 1.00 0.00 C ATOM 819 O GLY A 60 -10.167 9.133 14.794 1.00 0.00 O ATOM 0 H GLY A 60 -11.933 9.638 11.157 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -11.037 11.165 12.594 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.026 10.557 13.907 1.00 0.00 H new ATOM 823 N VAL A 61 -9.231 9.224 12.750 1.00 0.00 N ATOM 824 CA VAL A 61 -8.072 8.428 13.128 1.00 0.00 C ATOM 825 C VAL A 61 -6.984 9.303 13.713 1.00 0.00 C ATOM 826 O VAL A 61 -6.484 10.215 13.055 1.00 0.00 O ATOM 827 CB VAL A 61 -7.491 7.633 11.925 1.00 0.00 C ATOM 828 CG1 VAL A 61 -6.280 6.819 12.350 1.00 0.00 C ATOM 829 CG2 VAL A 61 -8.542 6.727 11.315 1.00 0.00 C ATOM 0 H VAL A 61 -9.221 9.554 11.785 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.416 7.716 13.879 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.178 8.354 11.170 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.890 6.271 11.492 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.509 7.487 12.734 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.571 6.114 13.129 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.110 6.182 10.476 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.892 6.019 12.066 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.381 7.328 10.964 1.00 0.00 H new ATOM 839 N ASP A 62 -6.636 9.009 14.953 1.00 0.00 N ATOM 840 CA ASP A 62 -5.602 9.726 15.695 1.00 0.00 C ATOM 841 C ASP A 62 -5.491 9.150 17.094 1.00 0.00 C ATOM 842 O ASP A 62 -6.220 9.551 18.002 1.00 0.00 O ATOM 843 CB ASP A 62 -5.893 11.234 15.780 1.00 0.00 C ATOM 844 CG ASP A 62 -4.788 11.993 16.493 1.00 0.00 C ATOM 845 OD1 ASP A 62 -3.726 12.213 15.881 1.00 0.00 O ATOM 846 OD2 ASP A 62 -4.976 12.370 17.669 1.00 0.00 O ATOM 0 H ASP A 62 -7.068 8.254 15.486 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.661 9.601 15.159 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.016 11.636 14.774 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.836 11.391 16.304 1.00 0.00 H new ATOM 851 N GLY A 63 -4.626 8.166 17.249 1.00 0.00 N ATOM 852 CA GLY A 63 -4.418 7.541 18.541 1.00 0.00 C ATOM 853 C GLY A 63 -5.514 6.554 18.905 1.00 0.00 C ATOM 854 O GLY A 63 -5.239 5.374 19.137 1.00 0.00 O ATOM 0 H GLY A 63 -4.056 7.782 16.496 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.458 7.025 18.539 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.363 8.314 19.308 1.00 0.00 H new ATOM 858 N ASN A 64 -6.751 7.043 18.928 1.00 0.00 N ATOM 859 CA ASN A 64 -7.923 6.250 19.317 1.00 0.00 C ATOM 860 C ASN A 64 -8.052 4.987 18.469 1.00 0.00 C ATOM 861 O ASN A 64 -7.661 3.901 18.892 1.00 0.00 O ATOM 862 CB ASN A 64 -9.209 7.093 19.199 1.00 0.00 C ATOM 863 CG ASN A 64 -9.109 8.434 19.904 1.00 0.00 C ATOM 864 OD1 ASN A 64 -8.405 8.579 20.902 1.00 0.00 O ATOM 865 ND2 ASN A 64 -9.807 9.422 19.385 1.00 0.00 N ATOM 0 H ASN A 64 -6.974 8.006 18.676 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.784 5.949 20.355 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.432 7.259 18.145 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.044 6.531 19.617 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.776 10.348 19.812 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.379 9.262 18.556 1.00 0.00 H new ATOM 872 N ASN A 65 -8.590 5.132 17.267 1.00 0.00 N ATOM 873 CA ASN A 65 -8.763 3.998 16.365 1.00 0.00 C ATOM 874 C ASN A 65 -7.509 3.779 15.527 1.00 0.00 C ATOM 875 O ASN A 65 -7.559 3.179 14.457 1.00 0.00 O ATOM 876 CB ASN A 65 -9.999 4.171 15.467 1.00 0.00 C ATOM 877 CG ASN A 65 -9.888 5.332 14.510 1.00 0.00 C ATOM 878 OD1 ASN A 65 -9.266 6.347 14.815 1.00 0.00 O ATOM 879 ND2 ASN A 65 -10.486 5.188 13.341 1.00 0.00 N ATOM 0 H ASN A 65 -8.915 6.023 16.892 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.926 3.112 16.978 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.156 3.255 14.898 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.879 4.311 16.095 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.442 5.937 12.650 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.992 4.328 13.129 1.00 0.00 H new ATOM 886 N LEU A 66 -6.399 4.292 16.016 1.00 0.00 N ATOM 887 CA LEU A 66 -5.119 4.116 15.367 1.00 0.00 C ATOM 888 C LEU A 66 -4.452 2.840 15.881 1.00 0.00 C ATOM 889 O LEU A 66 -4.397 1.839 15.189 1.00 0.00 O ATOM 890 CB LEU A 66 -4.244 5.355 15.613 1.00 0.00 C ATOM 891 CG LEU A 66 -2.954 5.496 14.790 1.00 0.00 C ATOM 892 CD1 LEU A 66 -1.884 4.514 15.227 1.00 0.00 C ATOM 893 CD2 LEU A 66 -3.241 5.360 13.308 1.00 0.00 C ATOM 0 H LEU A 66 -6.360 4.842 16.874 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.256 4.010 14.291 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.856 6.239 15.431 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.971 5.368 16.668 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.564 6.497 14.976 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.992 4.652 14.616 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.637 4.687 16.274 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.253 3.496 15.105 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.312 5.463 12.747 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.677 4.381 13.110 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.940 6.138 13.000 1.00 0.00 H new ATOM 905 N ALA A 67 -3.967 2.885 17.127 1.00 0.00 N ATOM 906 CA ALA A 67 -3.319 1.720 17.739 1.00 0.00 C ATOM 907 C ALA A 67 -4.342 0.642 18.061 1.00 0.00 C ATOM 908 O ALA A 67 -3.994 -0.476 18.455 1.00 0.00 O ATOM 909 CB ALA A 67 -2.556 2.119 18.993 1.00 0.00 C ATOM 0 H ALA A 67 -4.010 3.709 17.727 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.607 1.316 17.020 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.085 1.238 19.428 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.790 2.850 18.736 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.246 2.555 19.715 1.00 0.00 H new ATOM 915 N ARG A 68 -5.598 0.993 17.899 1.00 0.00 N ATOM 916 CA ARG A 68 -6.704 0.083 18.115 1.00 0.00 C ATOM 917 C ARG A 68 -7.613 0.151 16.912 1.00 0.00 C ATOM 918 O ARG A 68 -7.432 1.006 16.081 1.00 0.00 O ATOM 919 CB ARG A 68 -7.488 0.466 19.369 1.00 0.00 C ATOM 920 CG ARG A 68 -6.666 0.477 20.643 1.00 0.00 C ATOM 921 CD ARG A 68 -7.532 0.799 21.843 1.00 0.00 C ATOM 922 NE ARG A 68 -6.762 0.856 23.081 1.00 0.00 N ATOM 923 CZ ARG A 68 -7.210 0.419 24.263 1.00 0.00 C ATOM 924 NH1 ARG A 68 -8.397 -0.164 24.350 1.00 0.00 N ATOM 925 NH2 ARG A 68 -6.466 0.553 25.350 1.00 0.00 N ATOM 0 H ARG A 68 -5.885 1.928 17.610 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.319 -0.928 18.252 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.923 1.455 19.223 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.317 -0.231 19.492 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.191 -0.494 20.782 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.867 1.213 20.558 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.030 1.755 21.683 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.313 0.045 21.938 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.824 1.254 23.043 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.971 -0.280 23.515 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.737 -0.497 25.252 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.547 0.991 25.288 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.812 0.218 26.249 1.00 0.00 H new ATOM 939 N PHE A 69 -8.586 -0.749 16.828 1.00 0.00 N ATOM 940 CA PHE A 69 -9.558 -0.782 15.715 1.00 0.00 C ATOM 941 C PHE A 69 -8.916 -1.125 14.365 1.00 0.00 C ATOM 942 O PHE A 69 -9.247 -2.138 13.774 1.00 0.00 O ATOM 943 CB PHE A 69 -10.340 0.534 15.614 1.00 0.00 C ATOM 944 CG PHE A 69 -11.297 0.759 16.749 1.00 0.00 C ATOM 945 CD1 PHE A 69 -10.868 1.327 17.938 1.00 0.00 C ATOM 946 CD2 PHE A 69 -12.628 0.405 16.622 1.00 0.00 C ATOM 947 CE1 PHE A 69 -11.751 1.535 18.978 1.00 0.00 C ATOM 948 CE2 PHE A 69 -13.514 0.611 17.657 1.00 0.00 C ATOM 949 CZ PHE A 69 -13.076 1.176 18.837 1.00 0.00 C ATOM 0 H PHE A 69 -8.733 -1.481 17.523 1.00 0.00 H new ATOM 0 HA PHE A 69 -10.253 -1.588 15.952 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.634 1.363 15.577 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.895 0.545 14.676 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.832 1.610 18.052 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -12.977 -0.038 15.701 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -11.406 1.978 19.900 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -14.551 0.330 17.545 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.769 1.337 19.649 1.00 0.00 H new ATOM 959 N ALA A 70 -7.999 -0.286 13.892 1.00 0.00 N ATOM 960 CA ALA A 70 -7.347 -0.501 12.604 1.00 0.00 C ATOM 961 C ALA A 70 -6.606 -1.837 12.585 1.00 0.00 C ATOM 962 O ALA A 70 -6.966 -2.750 11.831 1.00 0.00 O ATOM 963 CB ALA A 70 -6.391 0.647 12.312 1.00 0.00 C ATOM 0 H ALA A 70 -7.690 0.552 14.384 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.111 -0.532 11.827 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.907 0.482 11.349 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.946 1.584 12.283 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.634 0.698 13.095 1.00 0.00 H new ATOM 969 N VAL A 71 -5.599 -1.953 13.430 1.00 0.00 N ATOM 970 CA VAL A 71 -4.844 -3.189 13.572 1.00 0.00 C ATOM 971 C VAL A 71 -5.748 -4.333 14.018 1.00 0.00 C ATOM 972 O VAL A 71 -5.625 -5.447 13.529 1.00 0.00 O ATOM 973 CB VAL A 71 -3.655 -3.016 14.567 1.00 0.00 C ATOM 974 CG1 VAL A 71 -4.120 -2.386 15.876 1.00 0.00 C ATOM 975 CG2 VAL A 71 -2.962 -4.351 14.830 1.00 0.00 C ATOM 0 H VAL A 71 -5.280 -1.197 14.037 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.433 -3.436 12.593 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.933 -2.343 14.105 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.270 -2.278 16.550 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.551 -1.405 15.675 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.872 -3.024 16.340 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.137 -4.202 15.527 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.677 -5.054 15.259 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.577 -4.752 13.892 1.00 0.00 H new ATOM 985 N GLN A 72 -6.684 -4.039 14.908 1.00 0.00 N ATOM 986 CA GLN A 72 -7.592 -5.056 15.432 1.00 0.00 C ATOM 987 C GLN A 72 -8.471 -5.640 14.332 1.00 0.00 C ATOM 988 O GLN A 72 -8.754 -6.830 14.327 1.00 0.00 O ATOM 989 CB GLN A 72 -8.455 -4.484 16.552 1.00 0.00 C ATOM 990 CG GLN A 72 -7.668 -4.079 17.787 1.00 0.00 C ATOM 991 CD GLN A 72 -8.534 -3.417 18.835 1.00 0.00 C ATOM 992 OE1 GLN A 72 -9.530 -2.773 18.513 1.00 0.00 O ATOM 993 NE2 GLN A 72 -8.165 -3.565 20.085 1.00 0.00 N ATOM 0 H GLN A 72 -6.837 -3.104 15.285 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.982 -5.863 15.838 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.994 -3.615 16.175 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.203 -5.224 16.836 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.194 -4.961 18.217 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.869 -3.397 17.497 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.331 -4.108 20.310 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -8.712 -3.137 20.832 1.00 0.00 H new ATOM 1002 N ALA A 73 -8.887 -4.800 13.398 1.00 0.00 N ATOM 1003 CA ALA A 73 -9.729 -5.237 12.298 1.00 0.00 C ATOM 1004 C ALA A 73 -8.928 -6.028 11.277 1.00 0.00 C ATOM 1005 O ALA A 73 -9.334 -7.113 10.872 1.00 0.00 O ATOM 1006 CB ALA A 73 -10.401 -4.046 11.630 1.00 0.00 C ATOM 0 H ALA A 73 -8.653 -3.807 13.381 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.500 -5.890 12.708 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.027 -4.395 10.809 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.018 -3.520 12.359 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.640 -3.368 11.243 1.00 0.00 H new ATOM 1012 N VAL A 74 -7.782 -5.484 10.874 1.00 0.00 N ATOM 1013 CA VAL A 74 -6.933 -6.130 9.872 1.00 0.00 C ATOM 1014 C VAL A 74 -6.379 -7.459 10.378 1.00 0.00 C ATOM 1015 O VAL A 74 -6.367 -8.454 9.655 1.00 0.00 O ATOM 1016 CB VAL A 74 -5.763 -5.214 9.436 1.00 0.00 C ATOM 1017 CG1 VAL A 74 -4.875 -5.917 8.415 1.00 0.00 C ATOM 1018 CG2 VAL A 74 -6.298 -3.914 8.863 1.00 0.00 C ATOM 0 H VAL A 74 -7.419 -4.598 11.225 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.567 -6.321 9.006 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.159 -4.989 10.315 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.060 -5.254 8.124 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.464 -6.826 8.855 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.465 -6.175 7.536 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.465 -3.280 8.561 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.924 -4.129 7.997 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.890 -3.399 9.620 1.00 0.00 H new ATOM 1028 N SER A 75 -5.952 -7.481 11.630 1.00 0.00 N ATOM 1029 CA SER A 75 -5.383 -8.682 12.215 1.00 0.00 C ATOM 1030 C SER A 75 -6.475 -9.718 12.518 1.00 0.00 C ATOM 1031 O SER A 75 -6.186 -10.845 12.925 1.00 0.00 O ATOM 1032 CB SER A 75 -4.599 -8.328 13.487 1.00 0.00 C ATOM 1033 OG SER A 75 -5.462 -7.846 14.506 1.00 0.00 O ATOM 0 H SER A 75 -5.989 -6.680 12.260 1.00 0.00 H new ATOM 0 HA SER A 75 -4.697 -9.126 11.494 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.066 -9.209 13.845 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.848 -7.573 13.256 1.00 0.00 H new ATOM 0 HG SER A 75 -5.958 -7.068 14.174 1.00 0.00 H new ATOM 1039 N ARG A 76 -7.727 -9.328 12.305 1.00 0.00 N ATOM 1040 CA ARG A 76 -8.857 -10.200 12.547 1.00 0.00 C ATOM 1041 C ARG A 76 -9.322 -10.850 11.243 1.00 0.00 C ATOM 1042 O ARG A 76 -10.270 -11.639 11.225 1.00 0.00 O ATOM 1043 CB ARG A 76 -9.990 -9.411 13.196 1.00 0.00 C ATOM 1044 CG ARG A 76 -11.069 -10.271 13.818 1.00 0.00 C ATOM 1045 CD ARG A 76 -12.006 -9.433 14.657 1.00 0.00 C ATOM 1046 NE ARG A 76 -11.312 -8.779 15.773 1.00 0.00 N ATOM 1047 CZ ARG A 76 -11.826 -7.784 16.504 1.00 0.00 C ATOM 1048 NH1 ARG A 76 -13.038 -7.302 16.227 1.00 0.00 N ATOM 1049 NH2 ARG A 76 -11.123 -7.266 17.508 1.00 0.00 N ATOM 0 H ARG A 76 -7.980 -8.402 11.961 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.552 -10.995 13.227 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -9.571 -8.761 13.964 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.444 -8.765 12.445 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.631 -10.780 13.035 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.613 -11.044 14.436 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.475 -8.676 14.029 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.805 -10.064 15.047 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.374 -9.106 16.007 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -13.578 -7.692 15.454 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.425 -6.543 16.788 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.193 -7.628 17.719 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.514 -6.507 18.066 1.00 0.00 H new ATOM 1063 N LEU A 77 -8.647 -10.512 10.151 1.00 0.00 N ATOM 1064 CA LEU A 77 -8.949 -11.096 8.851 1.00 0.00 C ATOM 1065 C LEU A 77 -8.488 -12.552 8.806 1.00 0.00 C ATOM 1066 O LEU A 77 -7.466 -12.906 9.407 1.00 0.00 O ATOM 1067 CB LEU A 77 -8.279 -10.296 7.722 1.00 0.00 C ATOM 1068 CG LEU A 77 -9.155 -9.257 7.004 1.00 0.00 C ATOM 1069 CD1 LEU A 77 -9.660 -8.205 7.972 1.00 0.00 C ATOM 1070 CD2 LEU A 77 -8.381 -8.607 5.864 1.00 0.00 C ATOM 0 H LEU A 77 -7.885 -9.834 10.141 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.028 -11.060 8.704 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.411 -9.783 8.136 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.907 -11.001 6.978 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.020 -9.773 6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.277 -7.484 7.436 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.254 -8.683 8.751 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.812 -7.691 8.426 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.015 -7.874 5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.496 -8.111 6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.078 -9.371 5.148 1.00 0.00 H new ATOM 1171 N TYR A 86 -2.999 -10.980 0.172 1.00 0.00 N ATOM 1172 CA TYR A 86 -2.922 -9.601 0.617 1.00 0.00 C ATOM 1173 C TYR A 86 -2.066 -8.758 -0.329 1.00 0.00 C ATOM 1174 O TYR A 86 -1.711 -9.194 -1.425 1.00 0.00 O ATOM 1175 CB TYR A 86 -2.355 -9.538 2.043 1.00 0.00 C ATOM 1176 CG TYR A 86 -3.305 -10.038 3.103 1.00 0.00 C ATOM 1177 CD1 TYR A 86 -3.499 -11.397 3.308 1.00 0.00 C ATOM 1178 CD2 TYR A 86 -4.004 -9.147 3.901 1.00 0.00 C ATOM 1179 CE1 TYR A 86 -4.366 -11.853 4.278 1.00 0.00 C ATOM 1180 CE2 TYR A 86 -4.871 -9.593 4.873 1.00 0.00 C ATOM 1181 CZ TYR A 86 -5.049 -10.948 5.058 1.00 0.00 C ATOM 1182 OH TYR A 86 -5.915 -11.401 6.022 1.00 0.00 O ATOM 0 HA TYR A 86 -3.931 -9.189 0.613 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -1.438 -10.126 2.085 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -2.083 -8.507 2.270 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.962 -12.108 2.698 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.867 -8.085 3.758 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -4.508 -12.913 4.425 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.409 -8.886 5.487 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.719 -10.956 6.873 1.00 0.00 H new ATOM 1192 N ALA A 87 -1.721 -7.557 0.115 1.00 0.00 N ATOM 1193 CA ALA A 87 -0.926 -6.622 -0.674 1.00 0.00 C ATOM 1194 C ALA A 87 0.540 -7.046 -0.758 1.00 0.00 C ATOM 1195 O ALA A 87 1.384 -6.258 -1.159 1.00 0.00 O ATOM 1196 CB ALA A 87 -1.020 -5.235 -0.060 1.00 0.00 C ATOM 0 H ALA A 87 -1.984 -7.202 1.034 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.327 -6.616 -1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.426 -4.536 -0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.061 -4.910 -0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.641 -5.263 0.961 1.00 0.00 H new ATOM 1202 N GLN A 88 0.824 -8.292 -0.402 1.00 0.00 N ATOM 1203 CA GLN A 88 2.184 -8.803 -0.396 1.00 0.00 C ATOM 1204 C GLN A 88 2.704 -8.999 -1.805 1.00 0.00 C ATOM 1205 O GLN A 88 3.880 -8.752 -2.089 1.00 0.00 O ATOM 1206 CB GLN A 88 2.259 -10.115 0.377 1.00 0.00 C ATOM 1207 CG GLN A 88 1.733 -10.016 1.794 1.00 0.00 C ATOM 1208 CD GLN A 88 2.221 -8.775 2.503 1.00 0.00 C ATOM 1209 OE1 GLN A 88 1.555 -7.734 2.499 1.00 0.00 O ATOM 1210 NE2 GLN A 88 3.385 -8.865 3.087 1.00 0.00 N ATOM 0 H GLN A 88 0.121 -8.972 -0.111 1.00 0.00 H new ATOM 0 HA GLN A 88 2.814 -8.064 0.099 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.692 -10.876 -0.160 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.296 -10.451 0.406 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.643 -10.016 1.775 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.042 -10.898 2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.900 -9.745 3.065 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.780 -8.055 3.565 1.00 0.00 H new ATOM 1219 N ALA A 89 1.834 -9.441 -2.686 1.00 0.00 N ATOM 1220 CA ALA A 89 2.211 -9.634 -4.064 1.00 0.00 C ATOM 1221 C ALA A 89 2.487 -8.288 -4.715 1.00 0.00 C ATOM 1222 O ALA A 89 3.613 -7.994 -5.113 1.00 0.00 O ATOM 1223 CB ALA A 89 1.118 -10.382 -4.814 1.00 0.00 C ATOM 0 H ALA A 89 0.864 -9.672 -2.471 1.00 0.00 H new ATOM 0 HA ALA A 89 3.120 -10.235 -4.104 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.418 -10.520 -5.853 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.959 -11.356 -4.350 1.00 0.00 H new ATOM 0 HB3 ALA A 89 0.193 -9.807 -4.777 1.00 0.00 H new ATOM 1229 N PHE A 90 1.463 -7.455 -4.768 1.00 0.00 N ATOM 1230 CA PHE A 90 1.559 -6.143 -5.394 1.00 0.00 C ATOM 1231 C PHE A 90 2.133 -5.093 -4.445 1.00 0.00 C ATOM 1232 O PHE A 90 1.787 -3.917 -4.544 1.00 0.00 O ATOM 1233 CB PHE A 90 0.183 -5.701 -5.902 1.00 0.00 C ATOM 1234 CG PHE A 90 -0.369 -6.595 -6.970 1.00 0.00 C ATOM 1235 CD1 PHE A 90 0.001 -6.421 -8.292 1.00 0.00 C ATOM 1236 CD2 PHE A 90 -1.249 -7.618 -6.653 1.00 0.00 C ATOM 1237 CE1 PHE A 90 -0.496 -7.246 -9.278 1.00 0.00 C ATOM 1238 CE2 PHE A 90 -1.749 -8.449 -7.634 1.00 0.00 C ATOM 1239 CZ PHE A 90 -1.372 -8.262 -8.949 1.00 0.00 C ATOM 0 H PHE A 90 0.543 -7.665 -4.380 1.00 0.00 H new ATOM 0 HA PHE A 90 2.247 -6.231 -6.235 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.514 -5.673 -5.065 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.256 -4.685 -6.290 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.687 -5.629 -8.554 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.547 -7.766 -5.626 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.201 -7.098 -10.306 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.433 -9.243 -7.374 1.00 0.00 H new ATOM 0 HZ PHE A 90 -1.762 -8.910 -9.720 1.00 0.00 H new ATOM 1249 N SER A 91 3.030 -5.514 -3.553 1.00 0.00 N ATOM 1250 CA SER A 91 3.654 -4.603 -2.594 1.00 0.00 C ATOM 1251 C SER A 91 4.220 -3.372 -3.289 1.00 0.00 C ATOM 1252 O SER A 91 3.860 -2.248 -2.966 1.00 0.00 O ATOM 1253 CB SER A 91 4.767 -5.312 -1.816 1.00 0.00 C ATOM 1254 OG SER A 91 4.249 -6.344 -1.010 1.00 0.00 O ATOM 0 H SER A 91 3.341 -6.482 -3.475 1.00 0.00 H new ATOM 0 HA SER A 91 2.879 -4.283 -1.897 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.496 -5.724 -2.514 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.295 -4.590 -1.192 1.00 0.00 H new ATOM 0 HG SER A 91 4.403 -7.208 -1.446 1.00 0.00 H new ATOM 1260 N SER A 92 5.080 -3.601 -4.259 1.00 0.00 N ATOM 1261 CA SER A 92 5.729 -2.522 -4.984 1.00 0.00 C ATOM 1262 C SER A 92 4.745 -1.660 -5.778 1.00 0.00 C ATOM 1263 O SER A 92 4.922 -0.450 -5.870 1.00 0.00 O ATOM 1264 CB SER A 92 6.786 -3.087 -5.912 1.00 0.00 C ATOM 1265 OG SER A 92 7.758 -3.822 -5.192 1.00 0.00 O ATOM 0 H SER A 92 5.350 -4.535 -4.568 1.00 0.00 H new ATOM 0 HA SER A 92 6.191 -1.872 -4.240 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.315 -3.731 -6.655 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.269 -2.275 -6.455 1.00 0.00 H new ATOM 0 HG SER A 92 7.893 -4.693 -5.620 1.00 0.00 H new ATOM 1271 N ALA A 93 3.716 -2.283 -6.337 1.00 0.00 N ATOM 1272 CA ALA A 93 2.749 -1.563 -7.165 1.00 0.00 C ATOM 1273 C ALA A 93 1.861 -0.659 -6.327 1.00 0.00 C ATOM 1274 O ALA A 93 1.511 0.440 -6.742 1.00 0.00 O ATOM 1275 CB ALA A 93 1.897 -2.543 -7.965 1.00 0.00 C ATOM 0 H ALA A 93 3.527 -3.280 -6.235 1.00 0.00 H new ATOM 0 HA ALA A 93 3.310 -0.934 -7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.183 -1.990 -8.575 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.540 -3.141 -8.611 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.358 -3.199 -7.281 1.00 0.00 H new ATOM 1281 N LEU A 94 1.493 -1.131 -5.154 1.00 0.00 N ATOM 1282 CA LEU A 94 0.624 -0.376 -4.274 1.00 0.00 C ATOM 1283 C LEU A 94 1.414 0.620 -3.426 1.00 0.00 C ATOM 1284 O LEU A 94 0.861 1.603 -2.935 1.00 0.00 O ATOM 1285 CB LEU A 94 -0.164 -1.322 -3.376 1.00 0.00 C ATOM 1286 CG LEU A 94 -0.887 -2.470 -4.085 1.00 0.00 C ATOM 1287 CD1 LEU A 94 -1.670 -3.298 -3.090 1.00 0.00 C ATOM 1288 CD2 LEU A 94 -1.798 -1.944 -5.182 1.00 0.00 C ATOM 0 H LEU A 94 1.783 -2.037 -4.787 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.070 0.191 -4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.519 -1.748 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.902 -0.739 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.136 -3.109 -4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.178 -4.109 -3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.989 -3.714 -2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.408 -2.668 -2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.300 -2.780 -5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.543 -1.277 -4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.206 -1.398 -5.916 1.00 0.00 H new ATOM 1300 N PHE A 95 2.696 0.345 -3.236 1.00 0.00 N ATOM 1301 CA PHE A 95 3.551 1.212 -2.437 1.00 0.00 C ATOM 1302 C PHE A 95 4.118 2.352 -3.291 1.00 0.00 C ATOM 1303 O PHE A 95 4.068 3.510 -2.894 1.00 0.00 O ATOM 1304 CB PHE A 95 4.690 0.394 -1.788 1.00 0.00 C ATOM 1305 CG PHE A 95 5.497 1.143 -0.756 1.00 0.00 C ATOM 1306 CD1 PHE A 95 5.008 1.312 0.531 1.00 0.00 C ATOM 1307 CD2 PHE A 95 6.746 1.666 -1.067 1.00 0.00 C ATOM 1308 CE1 PHE A 95 5.743 1.991 1.486 1.00 0.00 C ATOM 1309 CE2 PHE A 95 7.483 2.346 -0.116 1.00 0.00 C ATOM 1310 CZ PHE A 95 6.980 2.510 1.160 1.00 0.00 C ATOM 0 H PHE A 95 3.168 -0.472 -3.624 1.00 0.00 H new ATOM 0 HA PHE A 95 2.949 1.653 -1.643 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.261 -0.492 -1.320 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.362 0.047 -2.573 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.041 0.908 0.791 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.145 1.540 -2.063 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.350 2.115 2.484 1.00 0.00 H new ATOM 0 HE2 PHE A 95 8.452 2.749 -0.370 1.00 0.00 H new ATOM 0 HZ PHE A 95 7.554 3.044 1.902 1.00 0.00 H new ATOM 1320 N ASN A 96 4.638 1.996 -4.474 1.00 0.00 N ATOM 1321 CA ASN A 96 5.252 2.957 -5.410 1.00 0.00 C ATOM 1322 C ASN A 96 6.252 3.883 -4.735 1.00 0.00 C ATOM 1323 O ASN A 96 5.945 5.027 -4.410 1.00 0.00 O ATOM 1324 CB ASN A 96 4.206 3.767 -6.185 1.00 0.00 C ATOM 1325 CG ASN A 96 3.594 2.986 -7.329 1.00 0.00 C ATOM 1326 OD1 ASN A 96 4.231 2.108 -7.908 1.00 0.00 O ATOM 1327 ND2 ASN A 96 2.368 3.312 -7.678 1.00 0.00 N ATOM 0 H ASN A 96 4.646 1.034 -4.812 1.00 0.00 H new ATOM 0 HA ASN A 96 5.804 2.349 -6.127 1.00 0.00 H new ATOM 0 HB2 ASN A 96 3.417 4.082 -5.502 1.00 0.00 H new ATOM 0 HB3 ASN A 96 4.670 4.673 -6.576 1.00 0.00 H new ATOM 0 HD21 ASN A 96 1.913 2.830 -8.454 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.872 4.046 -7.173 1.00 0.00 H new ATOM 1334 N ALA A 97 7.459 3.378 -4.539 1.00 0.00 N ATOM 1335 CA ALA A 97 8.524 4.150 -3.914 1.00 0.00 C ATOM 1336 C ALA A 97 9.063 5.221 -4.864 1.00 0.00 C ATOM 1337 O ALA A 97 9.771 6.136 -4.451 1.00 0.00 O ATOM 1338 CB ALA A 97 9.648 3.221 -3.480 1.00 0.00 C ATOM 0 H ALA A 97 7.728 2.431 -4.805 1.00 0.00 H new ATOM 0 HA ALA A 97 8.113 4.654 -3.039 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.442 3.804 -3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.263 2.494 -2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.045 2.699 -4.351 1.00 0.00 H new ATOM 1344 N GLY A 98 8.721 5.096 -6.141 1.00 0.00 N ATOM 1345 CA GLY A 98 9.206 6.034 -7.136 1.00 0.00 C ATOM 1346 C GLY A 98 10.501 5.570 -7.763 1.00 0.00 C ATOM 1347 O GLY A 98 11.081 6.257 -8.598 1.00 0.00 O ATOM 0 H GLY A 98 8.116 4.361 -6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.452 6.162 -7.913 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.356 7.009 -6.673 1.00 0.00 H new ATOM 1351 N VAL A 99 10.953 4.397 -7.349 1.00 0.00 N ATOM 1352 CA VAL A 99 12.190 3.816 -7.859 1.00 0.00 C ATOM 1353 C VAL A 99 11.901 2.923 -9.071 1.00 0.00 C ATOM 1354 O VAL A 99 12.800 2.573 -9.844 1.00 0.00 O ATOM 1355 CB VAL A 99 12.890 2.976 -6.761 1.00 0.00 C ATOM 1356 CG1 VAL A 99 14.230 2.451 -7.245 1.00 0.00 C ATOM 1357 CG2 VAL A 99 13.063 3.794 -5.489 1.00 0.00 C ATOM 0 H VAL A 99 10.478 3.822 -6.654 1.00 0.00 H new ATOM 0 HA VAL A 99 12.847 4.632 -8.160 1.00 0.00 H new ATOM 0 HB VAL A 99 12.254 2.119 -6.537 1.00 0.00 H new ATOM 0 HG11 VAL A 99 14.699 1.865 -6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 99 14.079 1.821 -8.122 1.00 0.00 H new ATOM 0 HG13 VAL A 99 14.876 3.289 -7.507 1.00 0.00 H new ATOM 0 HG21 VAL A 99 13.556 3.187 -4.730 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.671 4.673 -5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.086 4.109 -5.123 1.00 0.00 H new ATOM 1367 N LEU A 100 10.642 2.574 -9.236 1.00 0.00 N ATOM 1368 CA LEU A 100 10.228 1.706 -10.321 1.00 0.00 C ATOM 1369 C LEU A 100 9.971 2.498 -11.593 1.00 0.00 C ATOM 1370 O LEU A 100 10.096 3.723 -11.610 1.00 0.00 O ATOM 1371 CB LEU A 100 8.993 0.864 -9.939 1.00 0.00 C ATOM 1372 CG LEU A 100 7.669 1.608 -9.656 1.00 0.00 C ATOM 1373 CD1 LEU A 100 6.509 0.630 -9.710 1.00 0.00 C ATOM 1374 CD2 LEU A 100 7.695 2.297 -8.295 1.00 0.00 C ATOM 0 H LEU A 100 9.882 2.880 -8.628 1.00 0.00 H new ATOM 0 HA LEU A 100 11.050 1.016 -10.512 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.811 0.153 -10.745 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.246 0.283 -9.052 1.00 0.00 H new ATOM 0 HG LEU A 100 7.544 2.374 -10.421 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.577 1.159 -9.510 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.462 0.175 -10.699 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.653 -0.147 -8.960 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.748 2.810 -8.129 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.846 1.553 -7.513 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.510 3.021 -8.269 1.00 0.00 H new ATOM 1386 N ASN A 101 9.602 1.796 -12.648 1.00 0.00 N ATOM 1387 CA ASN A 101 9.383 2.412 -13.940 1.00 0.00 C ATOM 1388 C ASN A 101 8.066 3.182 -13.981 1.00 0.00 C ATOM 1389 O ASN A 101 6.996 2.641 -13.685 1.00 0.00 O ATOM 1390 CB ASN A 101 9.448 1.363 -15.072 1.00 0.00 C ATOM 1391 CG ASN A 101 8.427 0.234 -14.936 1.00 0.00 C ATOM 1392 OD1 ASN A 101 8.046 -0.156 -13.830 1.00 0.00 O ATOM 1393 ND2 ASN A 101 7.987 -0.297 -16.063 1.00 0.00 N ATOM 0 H ASN A 101 9.447 0.788 -12.633 1.00 0.00 H new ATOM 0 HA ASN A 101 10.186 3.132 -14.099 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.294 1.865 -16.027 1.00 0.00 H new ATOM 0 HB3 ASN A 101 10.449 0.932 -15.096 1.00 0.00 H new ATOM 0 HD21 ASN A 101 7.308 -1.058 -16.037 1.00 0.00 H new ATOM 0 HD22 ASN A 101 8.327 0.054 -16.959 1.00 0.00 H new ATOM 1400 N ALA A 102 8.154 4.450 -14.356 1.00 0.00 N ATOM 1401 CA ALA A 102 6.990 5.318 -14.428 1.00 0.00 C ATOM 1402 C ALA A 102 6.100 4.953 -15.611 1.00 0.00 C ATOM 1403 O ALA A 102 4.923 5.302 -15.639 1.00 0.00 O ATOM 1404 CB ALA A 102 7.420 6.774 -14.515 1.00 0.00 C ATOM 0 H ALA A 102 9.030 4.903 -14.617 1.00 0.00 H new ATOM 0 HA ALA A 102 6.409 5.177 -13.517 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.537 7.411 -14.568 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.003 7.035 -13.632 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.028 6.921 -15.408 1.00 0.00 H new ATOM 1410 N SER A 103 6.664 4.225 -16.571 1.00 0.00 N ATOM 1411 CA SER A 103 5.921 3.801 -17.747 1.00 0.00 C ATOM 1412 C SER A 103 4.825 2.848 -17.317 1.00 0.00 C ATOM 1413 O SER A 103 3.725 2.851 -17.858 1.00 0.00 O ATOM 1414 CB SER A 103 6.865 3.126 -18.756 1.00 0.00 C ATOM 1415 OG SER A 103 6.178 2.726 -19.933 1.00 0.00 O ATOM 0 H SER A 103 7.636 3.917 -16.554 1.00 0.00 H new ATOM 0 HA SER A 103 5.473 4.667 -18.234 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.668 3.814 -19.020 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.330 2.256 -18.293 1.00 0.00 H new ATOM 0 HG SER A 103 6.809 2.302 -20.552 1.00 0.00 H new ATOM 1421 N ASN A 104 5.139 2.061 -16.308 1.00 0.00 N ATOM 1422 CA ASN A 104 4.217 1.115 -15.725 1.00 0.00 C ATOM 1423 C ASN A 104 3.001 1.849 -15.159 1.00 0.00 C ATOM 1424 O ASN A 104 1.853 1.521 -15.476 1.00 0.00 O ATOM 1425 CB ASN A 104 4.960 0.341 -14.630 1.00 0.00 C ATOM 1426 CG ASN A 104 4.074 -0.459 -13.692 1.00 0.00 C ATOM 1427 OD1 ASN A 104 3.021 -0.958 -14.064 1.00 0.00 O ATOM 1428 ND2 ASN A 104 4.522 -0.591 -12.460 1.00 0.00 N ATOM 0 H ASN A 104 6.058 2.063 -15.865 1.00 0.00 H new ATOM 0 HA ASN A 104 3.854 0.417 -16.479 1.00 0.00 H new ATOM 0 HB2 ASN A 104 5.668 -0.339 -15.104 1.00 0.00 H new ATOM 0 HB3 ASN A 104 5.543 1.048 -14.039 1.00 0.00 H new ATOM 0 HD21 ASN A 104 3.985 -1.125 -11.777 1.00 0.00 H new ATOM 0 HD22 ASN A 104 5.406 -0.159 -12.190 1.00 0.00 H new ATOM 1435 N ILE A 105 3.260 2.869 -14.362 1.00 0.00 N ATOM 1436 CA ILE A 105 2.192 3.647 -13.752 1.00 0.00 C ATOM 1437 C ILE A 105 1.406 4.420 -14.815 1.00 0.00 C ATOM 1438 O ILE A 105 0.175 4.522 -14.743 1.00 0.00 O ATOM 1439 CB ILE A 105 2.725 4.618 -12.643 1.00 0.00 C ATOM 1440 CG1 ILE A 105 3.065 3.848 -11.352 1.00 0.00 C ATOM 1441 CG2 ILE A 105 1.718 5.723 -12.342 1.00 0.00 C ATOM 1442 CD1 ILE A 105 4.207 2.864 -11.489 1.00 0.00 C ATOM 0 H ILE A 105 4.201 3.180 -14.120 1.00 0.00 H new ATOM 0 HA ILE A 105 1.520 2.940 -13.266 1.00 0.00 H new ATOM 0 HB ILE A 105 3.636 5.079 -13.026 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.313 4.566 -10.571 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.177 3.310 -11.020 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.118 6.379 -11.569 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.531 6.301 -13.247 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.785 5.280 -11.995 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.377 2.368 -10.533 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.957 2.119 -12.245 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.111 3.395 -11.788 1.00 0.00 H new ATOM 1454 N ASP A 106 2.113 4.927 -15.810 1.00 0.00 N ATOM 1455 CA ASP A 106 1.487 5.674 -16.898 1.00 0.00 C ATOM 1456 C ASP A 106 0.614 4.761 -17.752 1.00 0.00 C ATOM 1457 O ASP A 106 -0.384 5.185 -18.307 1.00 0.00 O ATOM 1458 CB ASP A 106 2.556 6.335 -17.774 1.00 0.00 C ATOM 1459 CG ASP A 106 1.972 7.279 -18.812 1.00 0.00 C ATOM 1460 OD1 ASP A 106 1.519 6.809 -19.876 1.00 0.00 O ATOM 1461 OD2 ASP A 106 1.978 8.502 -18.572 1.00 0.00 O ATOM 0 H ASP A 106 3.126 4.837 -15.891 1.00 0.00 H new ATOM 0 HA ASP A 106 0.857 6.446 -16.458 1.00 0.00 H new ATOM 0 HB2 ASP A 106 3.249 6.886 -17.138 1.00 0.00 H new ATOM 0 HB3 ASP A 106 3.134 5.561 -18.279 1.00 0.00 H new ATOM 1466 N THR A 107 0.990 3.499 -17.839 1.00 0.00 N ATOM 1467 CA THR A 107 0.255 2.558 -18.661 1.00 0.00 C ATOM 1468 C THR A 107 -1.004 2.045 -17.960 1.00 0.00 C ATOM 1469 O THR A 107 -2.119 2.293 -18.418 1.00 0.00 O ATOM 1470 CB THR A 107 1.140 1.369 -19.089 1.00 0.00 C ATOM 1471 OG1 THR A 107 2.283 1.859 -19.806 1.00 0.00 O ATOM 1472 CG2 THR A 107 0.366 0.400 -19.977 1.00 0.00 C ATOM 0 H THR A 107 1.795 3.104 -17.353 1.00 0.00 H new ATOM 0 HA THR A 107 -0.052 3.103 -19.553 1.00 0.00 H new ATOM 0 HB THR A 107 1.458 0.837 -18.192 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.899 2.294 -19.181 1.00 0.00 H new ATOM 0 HG21 THR A 107 1.014 -0.428 -20.264 1.00 0.00 H new ATOM 0 HG22 THR A 107 -0.495 0.015 -19.431 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.025 0.920 -20.872 1.00 0.00 H new ATOM 1480 N LEU A 108 -0.836 1.354 -16.845 1.00 0.00 N ATOM 1481 CA LEU A 108 -1.992 0.775 -16.164 1.00 0.00 C ATOM 1482 C LEU A 108 -2.130 1.256 -14.730 1.00 0.00 C ATOM 1483 O LEU A 108 -3.191 1.112 -14.130 1.00 0.00 O ATOM 1484 CB LEU A 108 -1.997 -0.793 -16.245 1.00 0.00 C ATOM 1485 CG LEU A 108 -0.885 -1.603 -15.502 1.00 0.00 C ATOM 1486 CD1 LEU A 108 0.513 -1.198 -15.923 1.00 0.00 C ATOM 1487 CD2 LEU A 108 -1.047 -1.536 -13.984 1.00 0.00 C ATOM 0 H LEU A 108 0.064 1.180 -16.397 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.870 1.135 -16.701 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.960 -1.137 -15.867 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.952 -1.066 -17.299 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.017 -2.642 -15.803 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.244 -1.792 -15.376 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.635 -1.368 -16.993 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.667 -0.141 -15.704 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.254 -2.112 -13.508 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.988 -0.498 -13.657 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.015 -1.950 -13.703 1.00 0.00 H new ATOM 1499 N GLY A 109 -1.072 1.844 -14.194 1.00 0.00 N ATOM 1500 CA GLY A 109 -1.082 2.271 -12.804 1.00 0.00 C ATOM 1501 C GLY A 109 -2.223 3.216 -12.465 1.00 0.00 C ATOM 1502 O GLY A 109 -3.176 2.831 -11.789 1.00 0.00 O ATOM 0 H GLY A 109 -0.204 2.035 -14.694 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.147 1.392 -12.163 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.136 2.762 -12.577 1.00 0.00 H new ATOM 1506 N SER A 110 -2.136 4.442 -12.942 1.00 0.00 N ATOM 1507 CA SER A 110 -3.149 5.448 -12.649 1.00 0.00 C ATOM 1508 C SER A 110 -4.469 5.154 -13.369 1.00 0.00 C ATOM 1509 O SER A 110 -5.488 5.770 -13.082 1.00 0.00 O ATOM 1510 CB SER A 110 -2.632 6.833 -13.029 1.00 0.00 C ATOM 1511 OG SER A 110 -1.396 7.103 -12.386 1.00 0.00 O ATOM 0 H SER A 110 -1.374 4.770 -13.536 1.00 0.00 H new ATOM 0 HA SER A 110 -3.349 5.419 -11.578 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.506 6.895 -14.110 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.365 7.589 -12.749 1.00 0.00 H new ATOM 0 HG SER A 110 -1.081 7.994 -12.644 1.00 0.00 H new ATOM 1517 N ARG A 111 -4.441 4.199 -14.285 1.00 0.00 N ATOM 1518 CA ARG A 111 -5.624 3.849 -15.063 1.00 0.00 C ATOM 1519 C ARG A 111 -6.483 2.818 -14.335 1.00 0.00 C ATOM 1520 O ARG A 111 -7.672 3.032 -14.121 1.00 0.00 O ATOM 1521 CB ARG A 111 -5.235 3.327 -16.460 1.00 0.00 C ATOM 1522 CG ARG A 111 -4.775 4.408 -17.446 1.00 0.00 C ATOM 1523 CD ARG A 111 -3.538 5.142 -16.954 1.00 0.00 C ATOM 1524 NE ARG A 111 -3.032 6.109 -17.927 1.00 0.00 N ATOM 1525 CZ ARG A 111 -2.605 7.339 -17.616 1.00 0.00 C ATOM 1526 NH1 ARG A 111 -2.812 7.835 -16.400 1.00 0.00 N ATOM 1527 NH2 ARG A 111 -2.011 8.085 -18.537 1.00 0.00 N ATOM 0 H ARG A 111 -3.611 3.650 -14.510 1.00 0.00 H new ATOM 0 HA ARG A 111 -6.212 4.758 -15.185 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -4.437 2.593 -16.349 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -6.091 2.805 -16.888 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.564 3.950 -18.412 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -5.583 5.123 -17.602 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -3.773 5.658 -16.023 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -2.756 4.417 -16.728 1.00 0.00 H new ATOM 0 HE ARG A 111 -3.002 5.828 -18.907 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -3.299 7.278 -15.698 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -2.484 8.773 -16.169 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -1.880 7.722 -19.481 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -1.685 9.022 -18.302 1.00 0.00 H new ATOM 1541 N VAL A 112 -5.873 1.709 -13.950 1.00 0.00 N ATOM 1542 CA VAL A 112 -6.599 0.642 -13.277 1.00 0.00 C ATOM 1543 C VAL A 112 -6.724 0.923 -11.784 1.00 0.00 C ATOM 1544 O VAL A 112 -7.829 0.946 -11.240 1.00 0.00 O ATOM 1545 CB VAL A 112 -5.923 -0.731 -13.492 1.00 0.00 C ATOM 1546 CG1 VAL A 112 -6.755 -1.840 -12.864 1.00 0.00 C ATOM 1547 CG2 VAL A 112 -5.711 -0.994 -14.977 1.00 0.00 C ATOM 0 H VAL A 112 -4.880 1.523 -14.091 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.595 0.608 -13.718 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.949 -0.716 -13.004 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -6.264 -2.799 -13.025 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -6.854 -1.659 -11.794 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.744 -1.857 -13.322 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -5.234 -1.965 -15.110 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.674 -0.989 -15.488 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.073 -0.216 -15.397 1.00 0.00 H new ATOM 1557 N LEU A 113 -5.587 1.154 -11.124 1.00 0.00 N ATOM 1558 CA LEU A 113 -5.586 1.443 -9.692 1.00 0.00 C ATOM 1559 C LEU A 113 -6.339 2.740 -9.433 1.00 0.00 C ATOM 1560 O LEU A 113 -6.960 2.911 -8.384 1.00 0.00 O ATOM 1561 CB LEU A 113 -4.156 1.530 -9.124 1.00 0.00 C ATOM 1562 CG LEU A 113 -3.335 0.224 -9.090 1.00 0.00 C ATOM 1563 CD1 LEU A 113 -2.980 -0.245 -10.490 1.00 0.00 C ATOM 1564 CD2 LEU A 113 -2.072 0.413 -8.263 1.00 0.00 C ATOM 0 H LEU A 113 -4.663 1.146 -11.556 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.086 0.620 -9.181 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.602 2.263 -9.711 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.218 1.917 -8.107 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.953 -0.544 -8.625 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.402 -1.167 -10.429 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.894 -0.426 -11.056 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.389 0.521 -10.992 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.504 -0.517 -8.249 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.464 1.203 -8.703 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -2.342 0.689 -7.244 1.00 0.00 H new ATOM 1576 N SER A 114 -6.249 3.643 -10.417 1.00 0.00 N ATOM 1577 CA SER A 114 -6.971 4.926 -10.458 1.00 0.00 C ATOM 1578 C SER A 114 -7.088 5.644 -9.098 1.00 0.00 C ATOM 1579 O SER A 114 -6.189 6.395 -8.693 1.00 0.00 O ATOM 1580 CB SER A 114 -8.357 4.732 -11.103 1.00 0.00 C ATOM 1581 OG SER A 114 -9.075 3.673 -10.477 1.00 0.00 O ATOM 0 H SER A 114 -5.654 3.499 -11.233 1.00 0.00 H new ATOM 0 HA SER A 114 -6.364 5.591 -11.072 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.929 5.657 -11.027 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.239 4.517 -12.165 1.00 0.00 H new ATOM 0 HG SER A 114 -8.694 2.813 -10.751 1.00 0.00 H new ATOM 1587 N ALA A 115 -8.191 5.393 -8.401 1.00 0.00 N ATOM 1588 CA ALA A 115 -8.496 6.056 -7.137 1.00 0.00 C ATOM 1589 C ALA A 115 -7.472 5.745 -6.057 1.00 0.00 C ATOM 1590 O ALA A 115 -7.272 6.543 -5.144 1.00 0.00 O ATOM 1591 CB ALA A 115 -9.890 5.677 -6.671 1.00 0.00 C ATOM 0 H ALA A 115 -8.901 4.723 -8.697 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.454 7.130 -7.316 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.107 6.177 -5.727 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.620 5.983 -7.420 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.946 4.598 -6.530 1.00 0.00 H new ATOM 1597 N LEU A 116 -6.817 4.601 -6.163 1.00 0.00 N ATOM 1598 CA LEU A 116 -5.832 4.223 -5.173 1.00 0.00 C ATOM 1599 C LEU A 116 -4.614 5.121 -5.247 1.00 0.00 C ATOM 1600 O LEU A 116 -4.216 5.710 -4.249 1.00 0.00 O ATOM 1601 CB LEU A 116 -5.404 2.763 -5.326 1.00 0.00 C ATOM 1602 CG LEU A 116 -4.341 2.299 -4.324 1.00 0.00 C ATOM 1603 CD1 LEU A 116 -4.875 2.368 -2.906 1.00 0.00 C ATOM 1604 CD2 LEU A 116 -3.860 0.898 -4.645 1.00 0.00 C ATOM 0 H LEU A 116 -6.950 3.927 -6.917 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.304 4.341 -4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.284 2.128 -5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -5.021 2.615 -6.336 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.489 2.973 -4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.105 2.034 -2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.155 3.395 -2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.750 1.724 -2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.107 0.596 -3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.701 0.206 -4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.426 0.883 -5.645 1.00 0.00 H new ATOM 1616 N LEU A 117 -4.039 5.251 -6.441 1.00 0.00 N ATOM 1617 CA LEU A 117 -2.829 6.048 -6.616 1.00 0.00 C ATOM 1618 C LEU A 117 -3.053 7.503 -6.251 1.00 0.00 C ATOM 1619 O LEU A 117 -2.128 8.187 -5.824 1.00 0.00 O ATOM 1620 CB LEU A 117 -2.266 5.923 -8.030 1.00 0.00 C ATOM 1621 CG LEU A 117 -1.741 4.535 -8.413 1.00 0.00 C ATOM 1622 CD1 LEU A 117 -0.913 4.613 -9.680 1.00 0.00 C ATOM 1623 CD2 LEU A 117 -0.924 3.929 -7.277 1.00 0.00 C ATOM 0 H LEU A 117 -4.389 4.818 -7.295 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.088 5.644 -5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -3.045 6.205 -8.738 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.455 6.643 -8.144 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.598 3.887 -8.597 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.548 3.619 -9.938 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.529 4.996 -10.494 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -0.066 5.280 -9.521 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.563 2.944 -7.574 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.075 4.575 -7.055 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.550 3.834 -6.389 1.00 0.00 H new ATOM 1635 N ASN A 118 -4.289 7.965 -6.403 1.00 0.00 N ATOM 1636 CA ASN A 118 -4.646 9.330 -6.022 1.00 0.00 C ATOM 1637 C ASN A 118 -4.369 9.552 -4.545 1.00 0.00 C ATOM 1638 O ASN A 118 -3.941 10.625 -4.139 1.00 0.00 O ATOM 1639 CB ASN A 118 -6.119 9.619 -6.329 1.00 0.00 C ATOM 1640 CG ASN A 118 -6.347 10.096 -7.751 1.00 0.00 C ATOM 1641 OD1 ASN A 118 -6.333 11.294 -8.021 1.00 0.00 O ATOM 1642 ND2 ASN A 118 -6.561 9.173 -8.668 1.00 0.00 N ATOM 0 H ASN A 118 -5.060 7.418 -6.786 1.00 0.00 H new ATOM 0 HA ASN A 118 -4.034 10.016 -6.607 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -6.704 8.716 -6.157 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -6.487 10.374 -5.635 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -6.722 9.445 -9.638 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -6.566 8.187 -8.408 1.00 0.00 H new ATOM 1649 N GLY A 119 -4.616 8.524 -3.749 1.00 0.00 N ATOM 1650 CA GLY A 119 -4.347 8.600 -2.334 1.00 0.00 C ATOM 1651 C GLY A 119 -2.917 8.204 -2.005 1.00 0.00 C ATOM 1652 O GLY A 119 -2.310 8.745 -1.076 1.00 0.00 O ATOM 0 H GLY A 119 -5.001 7.633 -4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.532 9.616 -1.984 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -5.036 7.948 -1.798 1.00 0.00 H new ATOM 1656 N VAL A 120 -2.377 7.258 -2.777 1.00 0.00 N ATOM 1657 CA VAL A 120 -1.014 6.759 -2.570 1.00 0.00 C ATOM 1658 C VAL A 120 0.030 7.867 -2.722 1.00 0.00 C ATOM 1659 O VAL A 120 1.062 7.838 -2.046 1.00 0.00 O ATOM 1660 CB VAL A 120 -0.672 5.583 -3.533 1.00 0.00 C ATOM 1661 CG1 VAL A 120 0.781 5.147 -3.380 1.00 0.00 C ATOM 1662 CG2 VAL A 120 -1.593 4.405 -3.279 1.00 0.00 C ATOM 0 H VAL A 120 -2.867 6.819 -3.557 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.981 6.389 -1.545 1.00 0.00 H new ATOM 0 HB VAL A 120 -0.817 5.938 -4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.988 4.325 -4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 120 1.439 5.985 -3.610 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.956 4.818 -2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -1.341 3.592 -3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -1.475 4.066 -2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.627 4.709 -3.444 1.00 0.00 H new ATOM 1672 N SER A 121 -0.252 8.845 -3.590 1.00 0.00 N ATOM 1673 CA SER A 121 0.673 9.957 -3.838 1.00 0.00 C ATOM 1674 C SER A 121 1.176 10.588 -2.530 1.00 0.00 C ATOM 1675 O SER A 121 2.380 10.730 -2.326 1.00 0.00 O ATOM 1676 CB SER A 121 0.012 11.018 -4.718 1.00 0.00 C ATOM 1677 OG SER A 121 -0.379 10.471 -5.967 1.00 0.00 O ATOM 0 H SER A 121 -1.114 8.889 -4.133 1.00 0.00 H new ATOM 0 HA SER A 121 1.538 9.549 -4.361 1.00 0.00 H new ATOM 0 HB2 SER A 121 -0.860 11.427 -4.207 1.00 0.00 H new ATOM 0 HB3 SER A 121 0.704 11.844 -4.880 1.00 0.00 H new ATOM 0 HG SER A 121 -1.054 9.775 -5.823 1.00 0.00 H new ATOM 1683 N SER A 122 0.256 10.954 -1.651 1.00 0.00 N ATOM 1684 CA SER A 122 0.620 11.550 -0.376 1.00 0.00 C ATOM 1685 C SER A 122 0.959 10.475 0.657 1.00 0.00 C ATOM 1686 O SER A 122 1.650 10.735 1.638 1.00 0.00 O ATOM 1687 CB SER A 122 -0.512 12.448 0.142 1.00 0.00 C ATOM 1688 OG SER A 122 -1.729 11.719 0.285 1.00 0.00 O ATOM 0 H SER A 122 -0.748 10.849 -1.798 1.00 0.00 H new ATOM 0 HA SER A 122 1.508 12.162 -0.534 1.00 0.00 H new ATOM 0 HB2 SER A 122 -0.228 12.877 1.103 1.00 0.00 H new ATOM 0 HB3 SER A 122 -0.663 13.280 -0.546 1.00 0.00 H new ATOM 0 HG SER A 122 -2.431 12.316 0.618 1.00 0.00 H new ATOM 1694 N ALA A 123 0.470 9.267 0.423 1.00 0.00 N ATOM 1695 CA ALA A 123 0.653 8.179 1.360 1.00 0.00 C ATOM 1696 C ALA A 123 2.029 7.499 1.234 1.00 0.00 C ATOM 1697 O ALA A 123 3.011 7.946 1.829 1.00 0.00 O ATOM 1698 CB ALA A 123 -0.476 7.161 1.223 1.00 0.00 C ATOM 0 H ALA A 123 -0.059 9.019 -0.413 1.00 0.00 H new ATOM 0 HA ALA A 123 0.620 8.614 2.359 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -0.323 6.350 1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -1.430 7.647 1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.482 6.759 0.210 1.00 0.00 H new ATOM 1704 N ALA A 124 2.094 6.435 0.454 1.00 0.00 N ATOM 1705 CA ALA A 124 3.312 5.649 0.342 1.00 0.00 C ATOM 1706 C ALA A 124 4.300 6.263 -0.633 1.00 0.00 C ATOM 1707 O ALA A 124 5.514 6.201 -0.418 1.00 0.00 O ATOM 1708 CB ALA A 124 2.978 4.229 -0.067 1.00 0.00 C ATOM 0 H ALA A 124 1.317 6.094 -0.112 1.00 0.00 H new ATOM 0 HA ALA A 124 3.790 5.640 1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 124 3.897 3.648 -0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 124 2.328 3.778 0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.468 4.238 -1.030 1.00 0.00 H new ATOM 1714 N GLN A 125 3.779 6.866 -1.691 1.00 0.00 N ATOM 1715 CA GLN A 125 4.612 7.467 -2.722 1.00 0.00 C ATOM 1716 C GLN A 125 5.438 8.609 -2.144 1.00 0.00 C ATOM 1717 O GLN A 125 6.546 8.886 -2.607 1.00 0.00 O ATOM 1718 CB GLN A 125 3.741 7.981 -3.865 1.00 0.00 C ATOM 1719 CG GLN A 125 4.526 8.459 -5.070 1.00 0.00 C ATOM 1720 CD GLN A 125 3.651 9.133 -6.111 1.00 0.00 C ATOM 1721 OE1 GLN A 125 2.469 8.815 -6.254 1.00 0.00 O ATOM 1722 NE2 GLN A 125 4.223 10.070 -6.842 1.00 0.00 N ATOM 0 H GLN A 125 2.777 6.952 -1.859 1.00 0.00 H new ATOM 0 HA GLN A 125 5.291 6.706 -3.105 1.00 0.00 H new ATOM 0 HB2 GLN A 125 3.063 7.187 -4.177 1.00 0.00 H new ATOM 0 HB3 GLN A 125 3.124 8.801 -3.498 1.00 0.00 H new ATOM 0 HG2 GLN A 125 5.297 9.157 -4.743 1.00 0.00 H new ATOM 0 HG3 GLN A 125 5.037 7.611 -5.525 1.00 0.00 H new ATOM 0 HE21 GLN A 125 5.204 10.305 -6.693 1.00 0.00 H new ATOM 0 HE22 GLN A 125 3.684 10.560 -7.556 1.00 0.00 H new ATOM 1731 N GLY A 126 4.894 9.256 -1.125 1.00 0.00 N ATOM 1732 CA GLY A 126 5.574 10.358 -0.496 1.00 0.00 C ATOM 1733 C GLY A 126 6.772 9.916 0.313 1.00 0.00 C ATOM 1734 O GLY A 126 7.882 9.814 -0.214 1.00 0.00 O ATOM 0 H GLY A 126 3.984 9.031 -0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 126 5.897 11.065 -1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 126 4.877 10.887 0.153 1.00 0.00 H new ATOM 1738 N LEU A 127 6.556 9.642 1.585 1.00 0.00 N ATOM 1739 CA LEU A 127 7.649 9.256 2.467 1.00 0.00 C ATOM 1740 C LEU A 127 7.521 7.806 2.915 1.00 0.00 C ATOM 1741 O LEU A 127 8.435 7.253 3.533 1.00 0.00 O ATOM 1742 CB LEU A 127 7.690 10.178 3.688 1.00 0.00 C ATOM 1743 CG LEU A 127 7.811 11.677 3.388 1.00 0.00 C ATOM 1744 CD1 LEU A 127 7.804 12.482 4.678 1.00 0.00 C ATOM 1745 CD2 LEU A 127 9.076 11.965 2.586 1.00 0.00 C ATOM 0 H LEU A 127 5.640 9.678 2.032 1.00 0.00 H new ATOM 0 HA LEU A 127 8.579 9.353 1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 127 6.785 10.016 4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 127 8.532 9.883 4.315 1.00 0.00 H new ATOM 0 HG LEU A 127 6.950 11.976 2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 127 7.891 13.543 4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 127 6.872 12.303 5.214 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.645 12.178 5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 127 9.143 13.034 2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 127 9.949 11.648 3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 127 9.041 11.419 1.643 1.00 0.00 H new ATOM 1757 N GLY A 128 6.398 7.191 2.597 1.00 0.00 N ATOM 1758 CA GLY A 128 6.168 5.830 3.020 1.00 0.00 C ATOM 1759 C GLY A 128 5.529 5.785 4.387 1.00 0.00 C ATOM 1760 O GLY A 128 6.210 5.931 5.402 1.00 0.00 O ATOM 0 H GLY A 128 5.642 7.608 2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 128 5.526 5.326 2.298 1.00 0.00 H new ATOM 0 HA3 GLY A 128 7.113 5.287 3.039 1.00 0.00 H new ATOM 1764 N ILE A 129 4.221 5.611 4.414 1.00 0.00 N ATOM 1765 CA ILE A 129 3.472 5.600 5.657 1.00 0.00 C ATOM 1766 C ILE A 129 3.795 4.390 6.525 1.00 0.00 C ATOM 1767 O ILE A 129 3.945 3.276 6.030 1.00 0.00 O ATOM 1768 CB ILE A 129 1.956 5.636 5.392 1.00 0.00 C ATOM 1769 CG1 ILE A 129 1.587 6.869 4.570 1.00 0.00 C ATOM 1770 CG2 ILE A 129 1.180 5.602 6.695 1.00 0.00 C ATOM 1771 CD1 ILE A 129 2.187 8.155 5.093 1.00 0.00 C ATOM 0 H ILE A 129 3.650 5.474 3.580 1.00 0.00 H new ATOM 0 HA ILE A 129 3.774 6.498 6.197 1.00 0.00 H new ATOM 0 HB ILE A 129 1.686 4.749 4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 129 1.914 6.719 3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 129 0.502 6.968 4.549 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.111 5.628 6.483 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.420 4.688 7.238 1.00 0.00 H new ATOM 0 HG23 ILE A 129 1.451 6.466 7.302 1.00 0.00 H new ATOM 0 HD11 ILE A 129 1.880 8.985 4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 129 1.840 8.331 6.111 1.00 0.00 H new ATOM 0 HD13 ILE A 129 3.274 8.078 5.088 1.00 0.00 H new ATOM 1783 N ASN A 130 3.895 4.627 7.822 1.00 0.00 N ATOM 1784 CA ASN A 130 4.129 3.571 8.779 1.00 0.00 C ATOM 1785 C ASN A 130 2.786 3.035 9.259 1.00 0.00 C ATOM 1786 O ASN A 130 1.865 3.809 9.540 1.00 0.00 O ATOM 1787 CB ASN A 130 4.931 4.104 9.965 1.00 0.00 C ATOM 1788 CG ASN A 130 5.685 3.013 10.708 1.00 0.00 C ATOM 1789 OD1 ASN A 130 5.277 1.853 10.725 1.00 0.00 O ATOM 1790 ND2 ASN A 130 6.791 3.384 11.324 1.00 0.00 N ATOM 0 H ASN A 130 3.816 5.556 8.236 1.00 0.00 H new ATOM 0 HA ASN A 130 4.699 2.770 8.308 1.00 0.00 H new ATOM 0 HB2 ASN A 130 5.640 4.852 9.611 1.00 0.00 H new ATOM 0 HB3 ASN A 130 4.256 4.608 10.657 1.00 0.00 H new ATOM 0 HD21 ASN A 130 7.343 2.698 11.839 1.00 0.00 H new ATOM 0 HD22 ASN A 130 7.095 4.357 11.285 1.00 0.00 H new ATOM 1797 N VAL A 131 2.670 1.731 9.341 1.00 0.00 N ATOM 1798 CA VAL A 131 1.428 1.098 9.749 1.00 0.00 C ATOM 1799 C VAL A 131 1.221 1.225 11.260 1.00 0.00 C ATOM 1800 O VAL A 131 2.185 1.212 12.031 1.00 0.00 O ATOM 1801 CB VAL A 131 1.403 -0.398 9.340 1.00 0.00 C ATOM 1802 CG1 VAL A 131 0.052 -1.031 9.627 1.00 0.00 C ATOM 1803 CG2 VAL A 131 1.755 -0.548 7.882 1.00 0.00 C ATOM 0 H VAL A 131 3.425 1.079 9.130 1.00 0.00 H new ATOM 0 HA VAL A 131 0.615 1.613 9.237 1.00 0.00 H new ATOM 0 HB VAL A 131 2.148 -0.920 9.940 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.070 -2.079 9.328 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -0.163 -0.961 10.693 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.722 -0.507 9.066 1.00 0.00 H new ATOM 0 HG21 VAL A 131 1.733 -1.603 7.609 1.00 0.00 H new ATOM 0 HG22 VAL A 131 1.033 -0.002 7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.754 -0.148 7.706 1.00 0.00 H new ATOM 1813 N ASP A 132 -0.039 1.355 11.665 1.00 0.00 N ATOM 1814 CA ASP A 132 -0.419 1.473 13.077 1.00 0.00 C ATOM 1815 C ASP A 132 -0.024 0.270 13.835 1.00 0.00 C ATOM 1816 O ASP A 132 0.377 0.332 15.005 1.00 0.00 O ATOM 1817 CB ASP A 132 -1.912 1.644 13.210 1.00 0.00 C ATOM 1818 CG ASP A 132 -2.684 0.634 12.382 1.00 0.00 C ATOM 1819 OD1 ASP A 132 -2.721 0.788 11.140 1.00 0.00 O ATOM 1820 OD2 ASP A 132 -3.219 -0.329 12.966 1.00 0.00 O ATOM 0 H ASP A 132 -0.832 1.382 11.023 1.00 0.00 H new ATOM 0 HA ASP A 132 0.097 2.345 13.479 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -2.195 1.543 14.258 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -2.189 2.652 12.900 1.00 0.00 H new ATOM 1825 N SER A 133 -0.164 -0.791 13.175 1.00 0.00 N ATOM 1826 CA SER A 133 0.133 -2.079 13.678 1.00 0.00 C ATOM 1827 C SER A 133 1.572 -2.148 14.096 1.00 0.00 C ATOM 1828 O SER A 133 2.486 -2.143 13.257 1.00 0.00 O ATOM 1829 CB SER A 133 -0.172 -3.146 12.624 1.00 0.00 C ATOM 1830 OG SER A 133 0.082 -4.450 13.124 1.00 0.00 O ATOM 0 H SER A 133 -0.507 -0.802 12.214 1.00 0.00 H new ATOM 0 HA SER A 133 -0.493 -2.270 14.550 1.00 0.00 H new ATOM 0 HB2 SER A 133 -1.215 -3.069 12.316 1.00 0.00 H new ATOM 0 HB3 SER A 133 0.436 -2.969 11.737 1.00 0.00 H new ATOM 0 HG SER A 133 -0.123 -5.112 12.431 1.00 0.00 H new ATOM 1836 N GLY A 134 1.774 -2.175 15.399 1.00 0.00 N ATOM 1837 CA GLY A 134 3.105 -2.313 15.943 1.00 0.00 C ATOM 1838 C GLY A 134 3.768 -3.572 15.448 1.00 0.00 C ATOM 1839 O GLY A 134 4.984 -3.703 15.490 1.00 0.00 O ATOM 0 H GLY A 134 1.033 -2.103 16.097 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.706 -1.448 15.663 1.00 0.00 H new ATOM 0 HA3 GLY A 134 3.056 -2.329 17.032 1.00 0.00 H new ATOM 1843 N SER A 135 2.954 -4.484 14.944 1.00 0.00 N ATOM 1844 CA SER A 135 3.448 -5.738 14.408 1.00 0.00 C ATOM 1845 C SER A 135 4.297 -5.482 13.165 1.00 0.00 C ATOM 1846 O SER A 135 5.318 -6.137 12.948 1.00 0.00 O ATOM 1847 CB SER A 135 2.281 -6.665 14.077 1.00 0.00 C ATOM 1848 OG SER A 135 1.450 -6.856 15.216 1.00 0.00 O ATOM 0 H SER A 135 1.941 -4.377 14.895 1.00 0.00 H new ATOM 0 HA SER A 135 4.072 -6.221 15.160 1.00 0.00 H new ATOM 0 HB2 SER A 135 1.695 -6.243 13.260 1.00 0.00 H new ATOM 0 HB3 SER A 135 2.661 -7.627 13.733 1.00 0.00 H new ATOM 0 HG SER A 135 0.707 -7.451 14.983 1.00 0.00 H new ATOM 1854 N VAL A 136 3.879 -4.509 12.365 1.00 0.00 N ATOM 1855 CA VAL A 136 4.602 -4.144 11.166 1.00 0.00 C ATOM 1856 C VAL A 136 5.807 -3.302 11.530 1.00 0.00 C ATOM 1857 O VAL A 136 6.930 -3.603 11.139 1.00 0.00 O ATOM 1858 CB VAL A 136 3.710 -3.336 10.195 1.00 0.00 C ATOM 1859 CG1 VAL A 136 4.454 -3.029 8.902 1.00 0.00 C ATOM 1860 CG2 VAL A 136 2.426 -4.085 9.908 1.00 0.00 C ATOM 0 H VAL A 136 3.037 -3.959 12.532 1.00 0.00 H new ATOM 0 HA VAL A 136 4.915 -5.065 10.674 1.00 0.00 H new ATOM 0 HB VAL A 136 3.458 -2.389 10.672 1.00 0.00 H new ATOM 0 HG11 VAL A 136 3.806 -2.460 8.235 1.00 0.00 H new ATOM 0 HG12 VAL A 136 5.347 -2.445 9.126 1.00 0.00 H new ATOM 0 HG13 VAL A 136 4.743 -3.962 8.418 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.810 -3.502 9.223 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.660 -5.048 9.455 1.00 0.00 H new ATOM 0 HG23 VAL A 136 1.882 -4.244 10.839 1.00 0.00 H new ATOM 1870 N GLN A 137 5.557 -2.273 12.323 1.00 0.00 N ATOM 1871 CA GLN A 137 6.576 -1.306 12.706 1.00 0.00 C ATOM 1872 C GLN A 137 7.757 -1.950 13.436 1.00 0.00 C ATOM 1873 O GLN A 137 8.910 -1.720 13.076 1.00 0.00 O ATOM 1874 CB GLN A 137 5.951 -0.221 13.563 1.00 0.00 C ATOM 1875 CG GLN A 137 6.853 0.972 13.809 1.00 0.00 C ATOM 1876 CD GLN A 137 6.125 2.131 14.468 1.00 0.00 C ATOM 1877 OE1 GLN A 137 6.718 2.904 15.217 1.00 0.00 O ATOM 1878 NE2 GLN A 137 4.841 2.273 14.182 1.00 0.00 N ATOM 0 H GLN A 137 4.638 -2.083 12.722 1.00 0.00 H new ATOM 0 HA GLN A 137 6.976 -0.871 11.790 1.00 0.00 H new ATOM 0 HB2 GLN A 137 5.035 0.123 13.083 1.00 0.00 H new ATOM 0 HB3 GLN A 137 5.666 -0.651 14.523 1.00 0.00 H new ATOM 0 HG2 GLN A 137 7.688 0.667 14.440 1.00 0.00 H new ATOM 0 HG3 GLN A 137 7.275 1.305 12.861 1.00 0.00 H new ATOM 0 HE21 GLN A 137 4.382 1.612 13.556 1.00 0.00 H new ATOM 0 HE22 GLN A 137 4.310 3.044 14.588 1.00 0.00 H new ATOM 1887 N SER A 138 7.477 -2.761 14.444 1.00 0.00 N ATOM 1888 CA SER A 138 8.536 -3.391 15.220 1.00 0.00 C ATOM 1889 C SER A 138 9.347 -4.381 14.381 1.00 0.00 C ATOM 1890 O SER A 138 10.534 -4.590 14.635 1.00 0.00 O ATOM 1891 CB SER A 138 7.963 -4.068 16.460 1.00 0.00 C ATOM 1892 OG SER A 138 7.302 -3.119 17.285 1.00 0.00 O ATOM 0 H SER A 138 6.531 -2.998 14.744 1.00 0.00 H new ATOM 0 HA SER A 138 9.220 -2.605 15.540 1.00 0.00 H new ATOM 0 HB2 SER A 138 7.264 -4.850 16.164 1.00 0.00 H new ATOM 0 HB3 SER A 138 8.763 -4.551 17.021 1.00 0.00 H new ATOM 0 HG SER A 138 6.382 -2.995 16.969 1.00 0.00 H new ATOM 1898 N ASP A 139 8.718 -4.974 13.375 1.00 0.00 N ATOM 1899 CA ASP A 139 9.418 -5.917 12.515 1.00 0.00 C ATOM 1900 C ASP A 139 10.267 -5.178 11.499 1.00 0.00 C ATOM 1901 O ASP A 139 11.475 -5.401 11.406 1.00 0.00 O ATOM 1902 CB ASP A 139 8.443 -6.845 11.789 1.00 0.00 C ATOM 1903 CG ASP A 139 9.166 -7.895 10.955 1.00 0.00 C ATOM 1904 OD1 ASP A 139 9.741 -7.539 9.909 1.00 0.00 O ATOM 1905 OD2 ASP A 139 9.157 -9.083 11.344 1.00 0.00 O ATOM 0 H ASP A 139 7.738 -4.822 13.137 1.00 0.00 H new ATOM 0 HA ASP A 139 10.060 -6.525 13.152 1.00 0.00 H new ATOM 0 HB2 ASP A 139 7.803 -7.340 12.519 1.00 0.00 H new ATOM 0 HB3 ASP A 139 7.793 -6.254 11.144 1.00 0.00 H new ATOM 1910 N ILE A 140 9.634 -4.282 10.743 1.00 0.00 N ATOM 1911 CA ILE A 140 10.329 -3.540 9.703 1.00 0.00 C ATOM 1912 C ILE A 140 11.489 -2.736 10.279 1.00 0.00 C ATOM 1913 O ILE A 140 12.522 -2.596 9.632 1.00 0.00 O ATOM 1914 CB ILE A 140 9.389 -2.591 8.914 1.00 0.00 C ATOM 1915 CG1 ILE A 140 8.791 -1.521 9.838 1.00 0.00 C ATOM 1916 CG2 ILE A 140 8.289 -3.391 8.226 1.00 0.00 C ATOM 1917 CD1 ILE A 140 7.944 -0.492 9.126 1.00 0.00 C ATOM 0 H ILE A 140 8.644 -4.056 10.834 1.00 0.00 H new ATOM 0 HA ILE A 140 10.713 -4.287 9.009 1.00 0.00 H new ATOM 0 HB ILE A 140 9.975 -2.081 8.149 1.00 0.00 H new ATOM 0 HG12 ILE A 140 8.184 -2.012 10.599 1.00 0.00 H new ATOM 0 HG13 ILE A 140 9.602 -1.011 10.358 1.00 0.00 H new ATOM 0 HG21 ILE A 140 7.636 -2.713 7.676 1.00 0.00 H new ATOM 0 HG22 ILE A 140 8.737 -4.105 7.535 1.00 0.00 H new ATOM 0 HG23 ILE A 140 7.707 -3.928 8.975 1.00 0.00 H new ATOM 0 HD11 ILE A 140 7.560 0.227 9.850 1.00 0.00 H new ATOM 0 HD12 ILE A 140 8.550 0.028 8.385 1.00 0.00 H new ATOM 0 HD13 ILE A 140 7.110 -0.988 8.629 1.00 0.00 H new ATOM 1929 N SER A 141 11.315 -2.225 11.505 1.00 0.00 N ATOM 1930 CA SER A 141 12.348 -1.445 12.177 1.00 0.00 C ATOM 1931 C SER A 141 13.698 -2.179 12.157 1.00 0.00 C ATOM 1932 O SER A 141 14.722 -1.606 11.784 1.00 0.00 O ATOM 1933 CB SER A 141 11.926 -1.143 13.623 1.00 0.00 C ATOM 1934 OG SER A 141 12.840 -0.266 14.262 1.00 0.00 O ATOM 0 H SER A 141 10.461 -2.342 12.050 1.00 0.00 H new ATOM 0 HA SER A 141 12.468 -0.505 11.638 1.00 0.00 H new ATOM 0 HB2 SER A 141 10.931 -0.698 13.627 1.00 0.00 H new ATOM 0 HB3 SER A 141 11.861 -2.074 14.186 1.00 0.00 H new ATOM 0 HG SER A 141 12.541 -0.094 15.179 1.00 0.00 H new ATOM 1940 N SER A 142 13.686 -3.442 12.542 1.00 0.00 N ATOM 1941 CA SER A 142 14.896 -4.240 12.575 1.00 0.00 C ATOM 1942 C SER A 142 15.208 -4.859 11.208 1.00 0.00 C ATOM 1943 O SER A 142 16.364 -4.863 10.761 1.00 0.00 O ATOM 1944 CB SER A 142 14.766 -5.321 13.641 1.00 0.00 C ATOM 1945 OG SER A 142 13.433 -5.807 13.700 1.00 0.00 O ATOM 0 H SER A 142 12.846 -3.939 12.838 1.00 0.00 H new ATOM 0 HA SER A 142 15.730 -3.585 12.825 1.00 0.00 H new ATOM 0 HB2 SER A 142 15.449 -6.142 13.420 1.00 0.00 H new ATOM 0 HB3 SER A 142 15.055 -4.919 14.612 1.00 0.00 H new ATOM 0 HG SER A 142 13.368 -6.501 14.389 1.00 0.00 H new ATOM 1951 N SER A 143 14.176 -5.367 10.542 1.00 0.00 N ATOM 1952 CA SER A 143 14.335 -6.018 9.248 1.00 0.00 C ATOM 1953 C SER A 143 14.980 -5.099 8.200 1.00 0.00 C ATOM 1954 O SER A 143 15.813 -5.540 7.417 1.00 0.00 O ATOM 1955 CB SER A 143 12.988 -6.544 8.747 1.00 0.00 C ATOM 1956 OG SER A 143 12.455 -7.506 9.640 1.00 0.00 O ATOM 0 H SER A 143 13.214 -5.339 10.881 1.00 0.00 H new ATOM 0 HA SER A 143 15.016 -6.857 9.394 1.00 0.00 H new ATOM 0 HB2 SER A 143 12.288 -5.716 8.639 1.00 0.00 H new ATOM 0 HB3 SER A 143 13.112 -6.988 7.759 1.00 0.00 H new ATOM 0 HG SER A 143 11.476 -7.460 9.624 1.00 0.00 H new ATOM 1962 N SER A 144 14.613 -3.825 8.211 1.00 0.00 N ATOM 1963 CA SER A 144 15.142 -2.863 7.242 1.00 0.00 C ATOM 1964 C SER A 144 16.646 -2.629 7.419 1.00 0.00 C ATOM 1965 O SER A 144 17.316 -2.153 6.509 1.00 0.00 O ATOM 1966 CB SER A 144 14.385 -1.537 7.328 1.00 0.00 C ATOM 1967 OG SER A 144 14.384 -1.032 8.655 1.00 0.00 O ATOM 0 H SER A 144 13.951 -3.429 8.879 1.00 0.00 H new ATOM 0 HA SER A 144 14.993 -3.294 6.252 1.00 0.00 H new ATOM 0 HB2 SER A 144 14.844 -0.809 6.659 1.00 0.00 H new ATOM 0 HB3 SER A 144 13.359 -1.678 6.989 1.00 0.00 H new ATOM 0 HG SER A 144 13.667 -1.461 9.168 1.00 0.00 H new