USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 579 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 Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.788 K(o=-0.79,f=0) USER MOD Single : A 11 GLN : amide:sc= -1.4 K(o=-1.4,f=-8.4!) USER MOD Single : A 15 SER OG : rot -63:sc= 1.25 USER MOD Single : A 17 MET CE :methyl 168:sc= -1.17 (180deg=-1.58) USER MOD Single : A 18 MET CE :methyl -115:sc= -0.42 (180deg=-0.518) USER MOD Single : A 28 GLN : amide:sc= -0.602 K(o=-0.6,f=-2.2!) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 CYS SG : rot 98:sc= -1.75! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -30:sc= -5.01! USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= -0.196 X(o=-0.2,f=-0.65) USER MOD Single : A 73 GLN : amide:sc= -0.447 K(o=-0.45,f=-1.5) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -16:sc= 0.537 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 7 8.500 -6.219 6.844 1.00 0.00 N ATOM 93 CA TYR A 7 7.225 -5.550 6.744 1.00 0.00 C ATOM 94 C TYR A 7 6.100 -6.549 6.932 1.00 0.00 C ATOM 95 O TYR A 7 6.233 -7.721 6.582 1.00 0.00 O ATOM 96 CB TYR A 7 7.096 -4.818 5.401 1.00 0.00 C ATOM 97 CG TYR A 7 6.749 -5.701 4.227 1.00 0.00 C ATOM 98 CD1 TYR A 7 7.729 -6.390 3.521 1.00 0.00 C ATOM 99 CD2 TYR A 7 5.429 -5.841 3.826 1.00 0.00 C ATOM 100 CE1 TYR A 7 7.397 -7.195 2.451 1.00 0.00 C ATOM 101 CE2 TYR A 7 5.092 -6.645 2.759 1.00 0.00 C ATOM 102 CZ TYR A 7 6.078 -7.321 2.074 1.00 0.00 C ATOM 103 OH TYR A 7 5.744 -8.137 1.019 1.00 0.00 O ATOM 0 HA TYR A 7 7.159 -4.802 7.534 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.331 -4.047 5.496 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.037 -4.309 5.189 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.764 -6.294 3.814 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.653 -5.311 4.358 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.168 -7.724 1.911 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.059 -6.745 2.461 1.00 0.00 H new ATOM 0 HH TYR A 7 4.774 -8.116 0.883 1.00 0.00 H new ATOM 113 N GLN A 8 5.004 -6.081 7.488 1.00 0.00 N ATOM 114 CA GLN A 8 3.861 -6.930 7.742 1.00 0.00 C ATOM 115 C GLN A 8 2.603 -6.249 7.272 1.00 0.00 C ATOM 116 O GLN A 8 2.384 -5.063 7.531 1.00 0.00 O ATOM 117 CB GLN A 8 3.743 -7.278 9.225 1.00 0.00 C ATOM 118 CG GLN A 8 4.822 -8.226 9.707 1.00 0.00 C ATOM 119 CD GLN A 8 4.401 -9.686 9.695 1.00 0.00 C ATOM 120 OE1 GLN A 8 4.861 -10.477 10.516 1.00 0.00 O ATOM 121 NE2 GLN A 8 3.536 -10.064 8.762 1.00 0.00 N ATOM 0 H GLN A 8 4.880 -5.110 7.775 1.00 0.00 H new ATOM 0 HA GLN A 8 4.001 -7.859 7.189 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.788 -6.360 9.811 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.767 -7.726 9.409 1.00 0.00 H new ATOM 0 HG2 GLN A 8 5.705 -8.106 9.080 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.111 -7.949 10.721 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.174 -9.382 8.096 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.234 -11.037 8.711 1.00 0.00 H new ATOM 130 N ILE A 9 1.804 -6.999 6.556 1.00 0.00 N ATOM 131 CA ILE A 9 0.540 -6.497 6.057 1.00 0.00 C ATOM 132 C ILE A 9 -0.598 -6.884 6.989 1.00 0.00 C ATOM 133 O ILE A 9 -0.855 -8.067 7.223 1.00 0.00 O ATOM 134 CB ILE A 9 0.245 -7.000 4.636 1.00 0.00 C ATOM 135 CG1 ILE A 9 1.407 -6.635 3.708 1.00 0.00 C ATOM 136 CG2 ILE A 9 -1.059 -6.398 4.135 1.00 0.00 C ATOM 137 CD1 ILE A 9 1.119 -6.865 2.245 1.00 0.00 C ATOM 0 H ILE A 9 2.005 -7.966 6.302 1.00 0.00 H new ATOM 0 HA ILE A 9 0.619 -5.411 6.019 1.00 0.00 H new ATOM 0 HB ILE A 9 0.139 -8.085 4.648 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.662 -5.586 3.857 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.282 -7.219 3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.263 -6.759 3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.874 -6.692 4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.977 -5.311 4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.990 -6.583 1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.894 -7.919 2.080 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.264 -6.260 1.943 1.00 0.00 H new ATOM 149 N GLU A 10 -1.261 -5.872 7.515 1.00 0.00 N ATOM 150 CA GLU A 10 -2.320 -6.057 8.484 1.00 0.00 C ATOM 151 C GLU A 10 -3.633 -5.477 7.964 1.00 0.00 C ATOM 152 O GLU A 10 -3.645 -4.627 7.068 1.00 0.00 O ATOM 153 CB GLU A 10 -1.919 -5.375 9.792 1.00 0.00 C ATOM 154 CG GLU A 10 -1.973 -3.852 9.744 1.00 0.00 C ATOM 155 CD GLU A 10 -1.389 -3.211 10.987 1.00 0.00 C ATOM 156 OE1 GLU A 10 -0.161 -2.981 11.021 1.00 0.00 O ATOM 157 OE2 GLU A 10 -2.158 -2.930 11.933 1.00 0.00 O ATOM 0 H GLU A 10 -1.079 -4.896 7.281 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.470 -7.123 8.657 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.576 -5.726 10.588 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.907 -5.684 10.054 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.429 -3.500 8.868 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.008 -3.532 9.626 1.00 0.00 H new ATOM 164 N GLN A 11 -4.737 -5.952 8.516 1.00 0.00 N ATOM 165 CA GLN A 11 -6.044 -5.434 8.163 1.00 0.00 C ATOM 166 C GLN A 11 -6.347 -4.171 8.951 1.00 0.00 C ATOM 167 O GLN A 11 -6.209 -4.128 10.174 1.00 0.00 O ATOM 168 CB GLN A 11 -7.121 -6.501 8.387 1.00 0.00 C ATOM 169 CG GLN A 11 -8.551 -5.995 8.218 1.00 0.00 C ATOM 170 CD GLN A 11 -8.771 -5.243 6.915 1.00 0.00 C ATOM 171 OE1 GLN A 11 -9.607 -4.346 6.834 1.00 0.00 O ATOM 172 NE2 GLN A 11 -8.014 -5.590 5.892 1.00 0.00 N ATOM 0 H GLN A 11 -4.752 -6.697 9.212 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.043 -5.175 7.104 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.954 -7.322 7.689 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.009 -6.909 9.392 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.236 -6.841 8.261 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.799 -5.341 9.054 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.330 -6.340 5.995 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.113 -5.109 4.998 1.00 0.00 H new ATOM 181 N LEU A 12 -6.749 -3.146 8.216 1.00 0.00 N ATOM 182 CA LEU A 12 -7.012 -1.832 8.775 1.00 0.00 C ATOM 183 C LEU A 12 -8.319 -1.825 9.563 1.00 0.00 C ATOM 184 O LEU A 12 -8.422 -1.182 10.606 1.00 0.00 O ATOM 185 CB LEU A 12 -7.086 -0.826 7.637 1.00 0.00 C ATOM 186 CG LEU A 12 -6.672 0.606 7.959 1.00 0.00 C ATOM 187 CD1 LEU A 12 -6.117 0.729 9.373 1.00 0.00 C ATOM 188 CD2 LEU A 12 -5.634 1.059 6.951 1.00 0.00 C ATOM 0 H LEU A 12 -6.902 -3.204 7.209 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.207 -1.567 9.461 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.457 -1.187 6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.110 -0.808 7.265 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.555 1.242 7.900 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.833 1.764 9.564 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.878 0.423 10.091 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.242 0.088 9.477 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.332 2.082 7.174 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.764 0.404 7.005 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.058 1.016 5.948 1.00 0.00 H new ATOM 200 N GLY A 13 -9.316 -2.533 9.050 1.00 0.00 N ATOM 201 CA GLY A 13 -10.601 -2.594 9.720 1.00 0.00 C ATOM 202 C GLY A 13 -11.612 -3.424 8.959 1.00 0.00 C ATOM 203 O GLY A 13 -11.741 -4.628 9.190 1.00 0.00 O ATOM 0 H GLY A 13 -9.259 -3.066 8.182 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.468 -3.014 10.717 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.988 -1.583 9.849 1.00 0.00 H new ATOM 207 N ASP A 14 -12.316 -2.786 8.034 1.00 0.00 N ATOM 208 CA ASP A 14 -13.368 -3.457 7.277 1.00 0.00 C ATOM 209 C ASP A 14 -12.914 -3.805 5.865 1.00 0.00 C ATOM 210 O ASP A 14 -13.057 -4.948 5.426 1.00 0.00 O ATOM 211 CB ASP A 14 -14.634 -2.597 7.222 1.00 0.00 C ATOM 212 CG ASP A 14 -14.372 -1.185 6.733 1.00 0.00 C ATOM 213 OD1 ASP A 14 -14.084 -0.310 7.573 1.00 0.00 O ATOM 214 OD2 ASP A 14 -14.449 -0.943 5.512 1.00 0.00 O ATOM 0 H ASP A 14 -12.179 -1.805 7.789 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.593 -4.387 7.798 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.362 -3.074 6.565 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.081 -2.554 8.215 1.00 0.00 H new ATOM 219 N SER A 15 -12.360 -2.831 5.157 1.00 0.00 N ATOM 220 CA SER A 15 -11.966 -3.029 3.772 1.00 0.00 C ATOM 221 C SER A 15 -10.885 -2.035 3.394 1.00 0.00 C ATOM 222 O SER A 15 -10.946 -1.361 2.367 1.00 0.00 O ATOM 223 CB SER A 15 -13.173 -2.903 2.844 1.00 0.00 C ATOM 224 OG SER A 15 -13.881 -1.691 3.062 1.00 0.00 O ATOM 0 H SER A 15 -12.174 -1.896 5.520 1.00 0.00 H new ATOM 0 HA SER A 15 -11.565 -4.036 3.661 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.841 -2.948 1.807 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.843 -3.749 3.001 1.00 0.00 H new ATOM 0 HG SER A 15 -14.249 -1.686 3.970 1.00 0.00 H new ATOM 230 N ALA A 16 -9.901 -1.956 4.256 1.00 0.00 N ATOM 231 CA ALA A 16 -8.746 -1.115 4.044 1.00 0.00 C ATOM 232 C ALA A 16 -7.529 -1.878 4.517 1.00 0.00 C ATOM 233 O ALA A 16 -7.627 -2.696 5.432 1.00 0.00 O ATOM 234 CB ALA A 16 -8.894 0.207 4.785 1.00 0.00 C ATOM 0 H ALA A 16 -9.878 -2.478 5.132 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.643 -0.871 2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.012 0.823 4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.779 0.730 4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.997 0.016 5.853 1.00 0.00 H new ATOM 240 N MET A 17 -6.402 -1.653 3.893 1.00 0.00 N ATOM 241 CA MET A 17 -5.221 -2.440 4.216 1.00 0.00 C ATOM 242 C MET A 17 -4.059 -1.563 4.677 1.00 0.00 C ATOM 243 O MET A 17 -3.825 -0.489 4.130 1.00 0.00 O ATOM 244 CB MET A 17 -4.844 -3.267 2.994 1.00 0.00 C ATOM 245 CG MET A 17 -3.695 -4.221 3.207 1.00 0.00 C ATOM 246 SD MET A 17 -3.590 -5.479 1.930 1.00 0.00 S ATOM 247 CE MET A 17 -3.433 -4.477 0.462 1.00 0.00 C ATOM 0 H MET A 17 -6.268 -0.946 3.170 1.00 0.00 H new ATOM 0 HA MET A 17 -5.449 -3.102 5.052 1.00 0.00 H new ATOM 0 HB2 MET A 17 -5.717 -3.837 2.675 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.590 -2.590 2.179 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.762 -3.658 3.234 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.805 -4.704 4.178 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.146 -5.107 -0.380 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.387 -3.996 0.246 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.670 -3.715 0.621 1.00 0.00 H new ATOM 257 N MET A 18 -3.341 -2.020 5.701 1.00 0.00 N ATOM 258 CA MET A 18 -2.192 -1.281 6.210 1.00 0.00 C ATOM 259 C MET A 18 -0.942 -2.154 6.217 1.00 0.00 C ATOM 260 O MET A 18 -0.968 -3.294 6.673 1.00 0.00 O ATOM 261 CB MET A 18 -2.462 -0.740 7.616 1.00 0.00 C ATOM 262 CG MET A 18 -1.255 -0.060 8.248 1.00 0.00 C ATOM 263 SD MET A 18 -1.639 0.745 9.815 1.00 0.00 S ATOM 264 CE MET A 18 -2.680 2.095 9.257 1.00 0.00 C ATOM 0 H MET A 18 -3.534 -2.894 6.191 1.00 0.00 H new ATOM 0 HA MET A 18 -2.024 -0.436 5.542 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.287 -0.029 7.571 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.783 -1.561 8.257 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.471 -0.800 8.409 1.00 0.00 H new ATOM 0 HG3 MET A 18 -0.857 0.680 7.554 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.185 3.044 9.460 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.856 2.000 8.186 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.633 2.062 9.786 1.00 0.00 H new ATOM 274 N ILE A 19 0.146 -1.611 5.700 1.00 0.00 N ATOM 275 CA ILE A 19 1.411 -2.331 5.635 1.00 0.00 C ATOM 276 C ILE A 19 2.519 -1.532 6.308 1.00 0.00 C ATOM 277 O ILE A 19 2.800 -0.415 5.899 1.00 0.00 O ATOM 278 CB ILE A 19 1.821 -2.580 4.173 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.693 -3.253 3.406 1.00 0.00 C ATOM 280 CG2 ILE A 19 3.069 -3.441 4.111 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.614 -2.816 1.963 1.00 0.00 C ATOM 0 H ILE A 19 0.181 -0.667 5.316 1.00 0.00 H new ATOM 0 HA ILE A 19 1.271 -3.282 6.149 1.00 0.00 H new ATOM 0 HB ILE A 19 2.032 -1.615 3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.830 -4.334 3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.254 -3.033 3.898 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.345 -3.607 3.070 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.886 -2.936 4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.874 -4.399 4.592 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.211 -3.332 1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.447 -1.740 1.917 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.548 -3.060 1.457 1.00 0.00 H new ATOM 293 N ARG A 20 3.150 -2.090 7.325 1.00 0.00 N ATOM 294 CA ARG A 20 4.263 -1.402 7.970 1.00 0.00 C ATOM 295 C ARG A 20 5.559 -2.176 7.740 1.00 0.00 C ATOM 296 O ARG A 20 5.583 -3.400 7.863 1.00 0.00 O ATOM 297 CB ARG A 20 4.005 -1.209 9.474 1.00 0.00 C ATOM 298 CG ARG A 20 4.308 -2.428 10.331 1.00 0.00 C ATOM 299 CD ARG A 20 3.200 -3.466 10.300 1.00 0.00 C ATOM 300 NE ARG A 20 3.547 -4.609 11.124 1.00 0.00 N ATOM 301 CZ ARG A 20 2.760 -5.139 12.062 1.00 0.00 C ATOM 302 NH1 ARG A 20 1.524 -4.689 12.245 1.00 0.00 N ATOM 303 NH2 ARG A 20 3.211 -6.136 12.812 1.00 0.00 N ATOM 0 H ARG A 20 2.919 -3.002 7.720 1.00 0.00 H new ATOM 0 HA ARG A 20 4.358 -0.412 7.523 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.609 -0.373 9.828 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.961 -0.931 9.617 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.236 -2.885 9.988 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.471 -2.110 11.361 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.270 -3.023 10.656 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.027 -3.790 9.274 1.00 0.00 H new ATOM 0 HE ARG A 20 4.460 -5.039 10.975 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.167 -3.930 11.665 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.932 -5.103 12.965 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.156 -6.494 12.670 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.613 -6.545 13.530 1.00 0.00 H new ATOM 317 N PHE A 21 6.620 -1.468 7.375 1.00 0.00 N ATOM 318 CA PHE A 21 7.912 -2.099 7.119 1.00 0.00 C ATOM 319 C PHE A 21 8.789 -2.077 8.375 1.00 0.00 C ATOM 320 O PHE A 21 8.280 -2.126 9.495 1.00 0.00 O ATOM 321 CB PHE A 21 8.641 -1.402 5.959 1.00 0.00 C ATOM 322 CG PHE A 21 7.954 -1.514 4.621 1.00 0.00 C ATOM 323 CD1 PHE A 21 6.796 -0.805 4.343 1.00 0.00 C ATOM 324 CD2 PHE A 21 8.483 -2.330 3.634 1.00 0.00 C ATOM 325 CE1 PHE A 21 6.182 -0.911 3.109 1.00 0.00 C ATOM 326 CE2 PHE A 21 7.873 -2.440 2.401 1.00 0.00 C ATOM 327 CZ PHE A 21 6.720 -1.729 2.137 1.00 0.00 C ATOM 0 H PHE A 21 6.613 -0.456 7.249 1.00 0.00 H new ATOM 0 HA PHE A 21 7.725 -3.136 6.842 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.758 -0.346 6.204 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.643 -1.822 5.873 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.369 -0.163 5.099 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.386 -2.888 3.833 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.280 -0.353 2.906 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.298 -3.082 1.643 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.241 -1.813 1.173 1.00 0.00 H new ATOM 422 N GLN A 28 15.795 2.613 3.550 1.00 0.00 N ATOM 423 CA GLN A 28 15.451 2.329 2.163 1.00 0.00 C ATOM 424 C GLN A 28 13.933 2.292 1.998 1.00 0.00 C ATOM 425 O GLN A 28 13.367 3.020 1.180 1.00 0.00 O ATOM 426 CB GLN A 28 16.083 1.001 1.740 1.00 0.00 C ATOM 427 CG GLN A 28 16.063 0.760 0.243 1.00 0.00 C ATOM 428 CD GLN A 28 14.740 0.215 -0.259 1.00 0.00 C ATOM 429 OE1 GLN A 28 14.027 -0.478 0.460 1.00 0.00 O ATOM 430 NE2 GLN A 28 14.415 0.508 -1.506 1.00 0.00 N ATOM 0 HA GLN A 28 15.841 3.118 1.520 1.00 0.00 H new ATOM 0 HB2 GLN A 28 17.115 0.974 2.089 1.00 0.00 H new ATOM 0 HB3 GLN A 28 15.557 0.185 2.236 1.00 0.00 H new ATOM 0 HG2 GLN A 28 16.281 1.696 -0.272 1.00 0.00 H new ATOM 0 HG3 GLN A 28 16.858 0.061 -0.016 1.00 0.00 H new ATOM 0 HE21 GLN A 28 15.035 1.088 -2.072 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.544 0.155 -1.903 1.00 0.00 H new ATOM 439 N VAL A 29 13.274 1.466 2.800 1.00 0.00 N ATOM 440 CA VAL A 29 11.823 1.359 2.748 1.00 0.00 C ATOM 441 C VAL A 29 11.171 2.579 3.382 1.00 0.00 C ATOM 442 O VAL A 29 10.048 2.936 3.046 1.00 0.00 O ATOM 443 CB VAL A 29 11.307 0.082 3.437 1.00 0.00 C ATOM 444 CG1 VAL A 29 11.804 -1.155 2.708 1.00 0.00 C ATOM 445 CG2 VAL A 29 11.716 0.044 4.901 1.00 0.00 C ATOM 0 H VAL A 29 13.719 0.863 3.491 1.00 0.00 H new ATOM 0 HA VAL A 29 11.550 1.305 1.694 1.00 0.00 H new ATOM 0 HB VAL A 29 10.218 0.094 3.395 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.429 -2.048 3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 29 11.446 -1.139 1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.894 -1.167 2.713 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.338 -0.869 5.361 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.803 0.064 4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.301 0.909 5.417 1.00 0.00 H new ATOM 455 N ASN A 30 11.894 3.213 4.294 1.00 0.00 N ATOM 456 CA ASN A 30 11.450 4.464 4.908 1.00 0.00 C ATOM 457 C ASN A 30 11.254 5.546 3.845 1.00 0.00 C ATOM 458 O ASN A 30 10.468 6.477 4.017 1.00 0.00 O ATOM 459 CB ASN A 30 12.468 4.914 5.964 1.00 0.00 C ATOM 460 CG ASN A 30 12.183 6.291 6.538 1.00 0.00 C ATOM 461 OD1 ASN A 30 11.385 6.439 7.459 1.00 0.00 O ATOM 462 ND2 ASN A 30 12.865 7.303 6.022 1.00 0.00 N ATOM 0 H ASN A 30 12.798 2.881 4.630 1.00 0.00 H new ATOM 0 HA ASN A 30 10.490 4.298 5.396 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.481 4.187 6.776 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.463 4.914 5.520 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.736 8.245 6.390 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.519 7.140 5.257 1.00 0.00 H new ATOM 469 N GLY A 31 11.972 5.410 2.738 1.00 0.00 N ATOM 470 CA GLY A 31 11.801 6.327 1.633 1.00 0.00 C ATOM 471 C GLY A 31 10.868 5.762 0.586 1.00 0.00 C ATOM 472 O GLY A 31 10.115 6.497 -0.056 1.00 0.00 O ATOM 0 H GLY A 31 12.669 4.681 2.587 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.406 7.274 2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.770 6.540 1.182 1.00 0.00 H new ATOM 476 N ILE A 32 10.896 4.444 0.429 1.00 0.00 N ATOM 477 CA ILE A 32 10.092 3.791 -0.589 1.00 0.00 C ATOM 478 C ILE A 32 8.627 3.721 -0.172 1.00 0.00 C ATOM 479 O ILE A 32 7.761 3.640 -1.017 1.00 0.00 O ATOM 480 CB ILE A 32 10.629 2.377 -0.943 1.00 0.00 C ATOM 481 CG1 ILE A 32 10.645 2.179 -2.473 1.00 0.00 C ATOM 482 CG2 ILE A 32 9.822 1.275 -0.259 1.00 0.00 C ATOM 483 CD1 ILE A 32 9.282 2.244 -3.153 1.00 0.00 C ATOM 0 H ILE A 32 11.465 3.812 0.992 1.00 0.00 H new ATOM 0 HA ILE A 32 10.166 4.402 -1.489 1.00 0.00 H new ATOM 0 HB ILE A 32 11.650 2.305 -0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 32 11.289 2.939 -2.914 1.00 0.00 H new ATOM 0 HG13 ILE A 32 11.097 1.212 -2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 32 10.230 0.302 -0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.878 1.401 0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.781 1.335 -0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.403 2.093 -4.226 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.636 1.466 -2.748 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.832 3.220 -2.973 1.00 0.00 H new ATOM 495 N VAL A 33 8.341 3.776 1.122 1.00 0.00 N ATOM 496 CA VAL A 33 6.955 3.795 1.570 1.00 0.00 C ATOM 497 C VAL A 33 6.287 5.087 1.104 1.00 0.00 C ATOM 498 O VAL A 33 5.092 5.121 0.812 1.00 0.00 O ATOM 499 CB VAL A 33 6.838 3.663 3.105 1.00 0.00 C ATOM 500 CG1 VAL A 33 7.533 4.820 3.794 1.00 0.00 C ATOM 501 CG2 VAL A 33 5.380 3.568 3.531 1.00 0.00 C ATOM 0 H VAL A 33 9.036 3.808 1.868 1.00 0.00 H new ATOM 0 HA VAL A 33 6.450 2.934 1.131 1.00 0.00 H new ATOM 0 HB VAL A 33 7.334 2.741 3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.440 4.709 4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.588 4.826 3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.072 5.758 3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.323 3.476 4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.849 4.466 3.215 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.922 2.694 3.068 1.00 0.00 H new ATOM 511 N HIS A 34 7.089 6.142 1.007 1.00 0.00 N ATOM 512 CA HIS A 34 6.609 7.423 0.521 1.00 0.00 C ATOM 513 C HIS A 34 6.422 7.362 -0.989 1.00 0.00 C ATOM 514 O HIS A 34 5.466 7.912 -1.531 1.00 0.00 O ATOM 515 CB HIS A 34 7.591 8.536 0.897 1.00 0.00 C ATOM 516 CG HIS A 34 7.089 9.912 0.582 1.00 0.00 C ATOM 517 ND1 HIS A 34 7.493 10.624 -0.523 1.00 0.00 N ATOM 518 CD2 HIS A 34 6.209 10.706 1.236 1.00 0.00 C ATOM 519 CE1 HIS A 34 6.887 11.795 -0.535 1.00 0.00 C ATOM 520 NE2 HIS A 34 6.101 11.871 0.522 1.00 0.00 N ATOM 0 H HIS A 34 8.077 6.131 1.260 1.00 0.00 H new ATOM 0 HA HIS A 34 5.648 7.644 0.986 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.807 8.473 1.963 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.531 8.372 0.371 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.688 10.466 2.151 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.013 12.563 -1.284 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.510 12.666 0.767 1.00 0.00 H new ATOM 529 N ALA A 35 7.332 6.668 -1.661 1.00 0.00 N ATOM 530 CA ALA A 35 7.259 6.513 -3.104 1.00 0.00 C ATOM 531 C ALA A 35 6.231 5.450 -3.480 1.00 0.00 C ATOM 532 O ALA A 35 5.705 5.451 -4.585 1.00 0.00 O ATOM 533 CB ALA A 35 8.629 6.160 -3.666 1.00 0.00 C ATOM 0 H ALA A 35 8.130 6.204 -1.227 1.00 0.00 H new ATOM 0 HA ALA A 35 6.940 7.460 -3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.560 6.047 -4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.336 6.955 -3.429 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.973 5.225 -3.224 1.00 0.00 H new ATOM 539 N ALA A 36 5.948 4.551 -2.541 1.00 0.00 N ATOM 540 CA ALA A 36 4.987 3.473 -2.749 1.00 0.00 C ATOM 541 C ALA A 36 3.591 4.025 -2.934 1.00 0.00 C ATOM 542 O ALA A 36 2.750 3.407 -3.580 1.00 0.00 O ATOM 543 CB ALA A 36 5.007 2.502 -1.580 1.00 0.00 C ATOM 0 H ALA A 36 6.378 4.550 -1.616 1.00 0.00 H new ATOM 0 HA ALA A 36 5.275 2.940 -3.655 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.283 1.706 -1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.003 2.071 -1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.749 3.031 -0.663 1.00 0.00 H new ATOM 549 N ALA A 37 3.358 5.203 -2.379 1.00 0.00 N ATOM 550 CA ALA A 37 2.082 5.863 -2.521 1.00 0.00 C ATOM 551 C ALA A 37 1.839 6.135 -3.992 1.00 0.00 C ATOM 552 O ALA A 37 0.738 5.959 -4.506 1.00 0.00 O ATOM 553 CB ALA A 37 2.072 7.160 -1.734 1.00 0.00 C ATOM 0 H ALA A 37 4.042 5.719 -1.825 1.00 0.00 H new ATOM 0 HA ALA A 37 1.289 5.225 -2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.104 7.648 -1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.248 6.947 -0.680 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.857 7.818 -2.107 1.00 0.00 H new ATOM 559 N ALA A 38 2.901 6.545 -4.666 1.00 0.00 N ATOM 560 CA ALA A 38 2.847 6.763 -6.094 1.00 0.00 C ATOM 561 C ALA A 38 3.066 5.458 -6.851 1.00 0.00 C ATOM 562 O ALA A 38 2.551 5.275 -7.949 1.00 0.00 O ATOM 563 CB ALA A 38 3.869 7.803 -6.520 1.00 0.00 C ATOM 0 H ALA A 38 3.810 6.732 -4.243 1.00 0.00 H new ATOM 0 HA ALA A 38 1.853 7.138 -6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.810 7.951 -7.598 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.662 8.745 -6.013 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.869 7.460 -6.255 1.00 0.00 H new ATOM 569 N TYR A 39 3.827 4.551 -6.253 1.00 0.00 N ATOM 570 CA TYR A 39 4.125 3.268 -6.876 1.00 0.00 C ATOM 571 C TYR A 39 2.834 2.487 -7.133 1.00 0.00 C ATOM 572 O TYR A 39 2.649 1.904 -8.203 1.00 0.00 O ATOM 573 CB TYR A 39 5.067 2.441 -5.998 1.00 0.00 C ATOM 574 CG TYR A 39 5.916 1.469 -6.791 1.00 0.00 C ATOM 575 CD1 TYR A 39 5.355 0.348 -7.388 1.00 0.00 C ATOM 576 CD2 TYR A 39 7.280 1.685 -6.952 1.00 0.00 C ATOM 577 CE1 TYR A 39 6.126 -0.531 -8.124 1.00 0.00 C ATOM 578 CE2 TYR A 39 8.060 0.810 -7.683 1.00 0.00 C ATOM 579 CZ TYR A 39 7.482 -0.297 -8.267 1.00 0.00 C ATOM 580 OH TYR A 39 8.262 -1.167 -9.002 1.00 0.00 O ATOM 0 H TYR A 39 4.250 4.681 -5.334 1.00 0.00 H new ATOM 0 HA TYR A 39 4.619 3.462 -7.828 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.719 3.114 -5.441 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.479 1.888 -5.266 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.298 0.160 -7.275 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.737 2.552 -6.498 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.673 -1.396 -8.585 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.118 0.992 -7.797 1.00 0.00 H new ATOM 0 HH TYR A 39 9.191 -0.854 -9.002 1.00 0.00 H new ATOM 590 N ILE A 40 1.936 2.504 -6.150 1.00 0.00 N ATOM 591 CA ILE A 40 0.686 1.766 -6.237 1.00 0.00 C ATOM 592 C ILE A 40 -0.287 2.449 -7.189 1.00 0.00 C ATOM 593 O ILE A 40 -0.993 1.788 -7.942 1.00 0.00 O ATOM 594 CB ILE A 40 0.029 1.625 -4.851 1.00 0.00 C ATOM 595 CG1 ILE A 40 0.970 0.887 -3.904 1.00 0.00 C ATOM 596 CG2 ILE A 40 -1.306 0.895 -4.950 1.00 0.00 C ATOM 597 CD1 ILE A 40 0.649 1.116 -2.447 1.00 0.00 C ATOM 0 H ILE A 40 2.056 3.025 -5.281 1.00 0.00 H new ATOM 0 HA ILE A 40 0.922 0.774 -6.621 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.163 2.623 -4.457 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.924 -0.181 -4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.994 1.206 -4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.748 0.809 -3.957 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.979 1.454 -5.600 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.146 -0.101 -5.363 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.355 0.563 -1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.723 2.180 -2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.364 0.771 -2.239 1.00 0.00 H new ATOM 609 N GLU A 41 -0.312 3.775 -7.165 1.00 0.00 N ATOM 610 CA GLU A 41 -1.252 4.525 -7.988 1.00 0.00 C ATOM 611 C GLU A 41 -0.868 4.446 -9.465 1.00 0.00 C ATOM 612 O GLU A 41 -1.714 4.616 -10.345 1.00 0.00 O ATOM 613 CB GLU A 41 -1.329 5.983 -7.530 1.00 0.00 C ATOM 614 CG GLU A 41 -0.087 6.795 -7.851 1.00 0.00 C ATOM 615 CD GLU A 41 -0.286 8.283 -7.661 1.00 0.00 C ATOM 616 OE1 GLU A 41 -0.811 8.932 -8.590 1.00 0.00 O ATOM 617 OE2 GLU A 41 0.112 8.817 -6.605 1.00 0.00 O ATOM 0 H GLU A 41 0.303 4.350 -6.589 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.238 4.075 -7.869 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.192 6.456 -7.999 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.499 6.007 -6.454 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.733 6.460 -7.216 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.209 6.603 -8.882 1.00 0.00 H new ATOM 624 N GLU A 42 0.408 4.187 -9.727 1.00 0.00 N ATOM 625 CA GLU A 42 0.896 4.031 -11.091 1.00 0.00 C ATOM 626 C GLU A 42 0.520 2.666 -11.653 1.00 0.00 C ATOM 627 O GLU A 42 0.282 2.527 -12.857 1.00 0.00 O ATOM 628 CB GLU A 42 2.415 4.213 -11.139 1.00 0.00 C ATOM 629 CG GLU A 42 2.860 5.662 -11.026 1.00 0.00 C ATOM 630 CD GLU A 42 2.410 6.494 -12.205 1.00 0.00 C ATOM 631 OE1 GLU A 42 2.887 6.238 -13.328 1.00 0.00 O ATOM 632 OE2 GLU A 42 1.578 7.405 -12.023 1.00 0.00 O ATOM 0 H GLU A 42 1.125 4.080 -9.009 1.00 0.00 H new ATOM 0 HA GLU A 42 0.425 4.799 -11.705 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.867 3.639 -10.330 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.793 3.798 -12.073 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.461 6.092 -10.107 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.947 5.701 -10.950 1.00 0.00 H new ATOM 639 N GLN A 43 0.466 1.659 -10.786 1.00 0.00 N ATOM 640 CA GLN A 43 0.131 0.303 -11.210 1.00 0.00 C ATOM 641 C GLN A 43 -0.883 -0.333 -10.256 1.00 0.00 C ATOM 642 O GLN A 43 -0.566 -1.273 -9.528 1.00 0.00 O ATOM 643 CB GLN A 43 1.404 -0.539 -11.290 1.00 0.00 C ATOM 644 CG GLN A 43 2.370 -0.027 -12.342 1.00 0.00 C ATOM 645 CD GLN A 43 3.765 -0.599 -12.208 1.00 0.00 C ATOM 646 OE1 GLN A 43 4.089 -1.627 -12.804 1.00 0.00 O ATOM 647 NE2 GLN A 43 4.600 0.063 -11.426 1.00 0.00 N ATOM 0 H GLN A 43 0.650 1.756 -9.787 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.328 0.346 -12.198 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.897 -0.541 -10.318 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.140 -1.572 -11.515 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.980 -0.269 -13.331 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.423 1.060 -12.277 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.290 0.911 -10.951 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.554 -0.274 -11.298 1.00 0.00 H new ATOM 656 N PRO A 44 -2.125 0.182 -10.253 1.00 0.00 N ATOM 657 CA PRO A 44 -3.166 -0.239 -9.332 1.00 0.00 C ATOM 658 C PRO A 44 -4.138 -1.252 -9.936 1.00 0.00 C ATOM 659 O PRO A 44 -3.969 -1.704 -11.068 1.00 0.00 O ATOM 660 CB PRO A 44 -3.877 1.089 -9.080 1.00 0.00 C ATOM 661 CG PRO A 44 -3.799 1.818 -10.386 1.00 0.00 C ATOM 662 CD PRO A 44 -2.624 1.242 -11.145 1.00 0.00 C ATOM 0 HA PRO A 44 -2.774 -0.746 -8.450 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.912 0.932 -8.776 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.392 1.652 -8.283 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.722 1.694 -10.952 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.666 2.888 -10.223 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.928 0.842 -12.112 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.861 1.997 -11.337 1.00 0.00 H new ATOM 670 N PHE A 45 -5.147 -1.604 -9.154 1.00 0.00 N ATOM 671 CA PHE A 45 -6.244 -2.439 -9.613 1.00 0.00 C ATOM 672 C PHE A 45 -7.487 -1.554 -9.737 1.00 0.00 C ATOM 673 O PHE A 45 -7.594 -0.558 -9.027 1.00 0.00 O ATOM 674 CB PHE A 45 -6.483 -3.623 -8.657 1.00 0.00 C ATOM 675 CG PHE A 45 -7.274 -3.294 -7.424 1.00 0.00 C ATOM 676 CD1 PHE A 45 -6.685 -2.651 -6.343 1.00 0.00 C ATOM 677 CD2 PHE A 45 -8.615 -3.631 -7.351 1.00 0.00 C ATOM 678 CE1 PHE A 45 -7.427 -2.353 -5.216 1.00 0.00 C ATOM 679 CE2 PHE A 45 -9.356 -3.335 -6.228 1.00 0.00 C ATOM 680 CZ PHE A 45 -8.762 -2.695 -5.160 1.00 0.00 C ATOM 0 H PHE A 45 -5.227 -1.317 -8.179 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.004 -2.874 -10.583 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.001 -4.412 -9.203 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.517 -4.026 -8.354 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.640 -2.382 -6.383 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -9.086 -4.132 -8.184 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.962 -1.853 -4.380 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -10.401 -3.604 -6.184 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.343 -2.462 -4.280 1.00 0.00 H new ATOM 690 N PRO A 46 -8.397 -1.870 -10.671 1.00 0.00 N ATOM 691 CA PRO A 46 -9.566 -1.027 -11.006 1.00 0.00 C ATOM 692 C PRO A 46 -10.270 -0.358 -9.810 1.00 0.00 C ATOM 693 O PRO A 46 -10.738 0.776 -9.919 1.00 0.00 O ATOM 694 CB PRO A 46 -10.506 -2.026 -11.661 1.00 0.00 C ATOM 695 CG PRO A 46 -9.611 -2.998 -12.339 1.00 0.00 C ATOM 696 CD PRO A 46 -8.370 -3.097 -11.495 1.00 0.00 C ATOM 0 HA PRO A 46 -9.261 -0.178 -11.618 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.138 -2.518 -10.922 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -11.171 -1.536 -12.373 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.095 -3.970 -12.433 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -9.368 -2.664 -13.348 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.380 -3.994 -10.875 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.472 -3.144 -12.111 1.00 0.00 H new ATOM 704 N GLY A 47 -10.346 -1.049 -8.676 1.00 0.00 N ATOM 705 CA GLY A 47 -11.075 -0.527 -7.533 1.00 0.00 C ATOM 706 C GLY A 47 -10.177 0.133 -6.512 1.00 0.00 C ATOM 707 O GLY A 47 -10.570 0.336 -5.363 1.00 0.00 O ATOM 0 H GLY A 47 -9.915 -1.962 -8.528 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.814 0.195 -7.879 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.622 -1.340 -7.056 1.00 0.00 H new ATOM 711 N PHE A 48 -8.956 0.429 -6.914 1.00 0.00 N ATOM 712 CA PHE A 48 -8.029 1.161 -6.063 1.00 0.00 C ATOM 713 C PHE A 48 -8.568 2.550 -5.743 1.00 0.00 C ATOM 714 O PHE A 48 -9.031 3.276 -6.626 1.00 0.00 O ATOM 715 CB PHE A 48 -6.657 1.257 -6.734 1.00 0.00 C ATOM 716 CG PHE A 48 -5.756 2.302 -6.144 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.191 2.130 -4.891 1.00 0.00 C ATOM 718 CD2 PHE A 48 -5.479 3.462 -6.849 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.366 3.100 -4.354 1.00 0.00 C ATOM 720 CE2 PHE A 48 -4.656 4.432 -6.317 1.00 0.00 C ATOM 721 CZ PHE A 48 -4.100 4.251 -5.071 1.00 0.00 C ATOM 0 H PHE A 48 -8.579 0.174 -7.827 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.921 0.617 -5.125 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.163 0.288 -6.667 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.797 1.470 -7.794 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.397 1.231 -4.329 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.913 3.608 -7.827 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.930 2.959 -3.376 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.448 5.332 -6.877 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.455 5.010 -4.653 1.00 0.00 H new ATOM 731 N ILE A 49 -8.507 2.905 -4.470 1.00 0.00 N ATOM 732 CA ILE A 49 -9.051 4.163 -4.001 1.00 0.00 C ATOM 733 C ILE A 49 -7.944 5.158 -3.678 1.00 0.00 C ATOM 734 O ILE A 49 -7.835 6.202 -4.321 1.00 0.00 O ATOM 735 CB ILE A 49 -9.933 3.932 -2.752 1.00 0.00 C ATOM 736 CG1 ILE A 49 -11.179 3.134 -3.132 1.00 0.00 C ATOM 737 CG2 ILE A 49 -10.320 5.242 -2.079 1.00 0.00 C ATOM 738 CD1 ILE A 49 -12.067 3.815 -4.150 1.00 0.00 C ATOM 0 H ILE A 49 -8.082 2.333 -3.740 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.662 4.582 -4.801 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.348 3.361 -2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -10.870 2.166 -3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -11.761 2.940 -2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -10.939 5.034 -1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.419 5.771 -1.767 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -10.879 5.861 -2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -12.928 3.181 -4.363 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.409 4.771 -3.753 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.504 3.984 -5.068 1.00 0.00 H new ATOM 750 N GLU A 50 -7.105 4.822 -2.709 1.00 0.00 N ATOM 751 CA GLU A 50 -6.138 5.781 -2.186 1.00 0.00 C ATOM 752 C GLU A 50 -5.001 5.064 -1.461 1.00 0.00 C ATOM 753 O GLU A 50 -5.167 3.942 -1.002 1.00 0.00 O ATOM 754 CB GLU A 50 -6.867 6.740 -1.236 1.00 0.00 C ATOM 755 CG GLU A 50 -6.003 7.841 -0.649 1.00 0.00 C ATOM 756 CD GLU A 50 -6.802 8.782 0.227 1.00 0.00 C ATOM 757 OE1 GLU A 50 -7.254 8.355 1.310 1.00 0.00 O ATOM 758 OE2 GLU A 50 -6.997 9.949 -0.173 1.00 0.00 O ATOM 0 H GLU A 50 -7.072 3.901 -2.271 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.697 6.343 -3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.698 7.198 -1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.297 6.161 -0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.198 7.397 -0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.537 8.405 -1.456 1.00 0.00 H new ATOM 765 N CYS A 51 -3.849 5.705 -1.375 1.00 0.00 N ATOM 766 CA CYS A 51 -2.718 5.161 -0.640 1.00 0.00 C ATOM 767 C CYS A 51 -1.850 6.291 -0.109 1.00 0.00 C ATOM 768 O CYS A 51 -1.333 7.109 -0.875 1.00 0.00 O ATOM 769 CB CYS A 51 -1.895 4.223 -1.522 1.00 0.00 C ATOM 770 SG CYS A 51 -1.600 4.849 -3.192 1.00 0.00 S ATOM 0 H CYS A 51 -3.670 6.611 -1.809 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.099 4.583 0.202 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -0.935 4.038 -1.040 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.407 3.263 -1.591 1.00 0.00 H new ATOM 0 HG CYS A 51 -0.424 5.400 -3.248 1.00 0.00 H new ATOM 776 N ILE A 52 -1.716 6.348 1.203 1.00 0.00 N ATOM 777 CA ILE A 52 -0.920 7.386 1.842 1.00 0.00 C ATOM 778 C ILE A 52 0.206 6.788 2.682 1.00 0.00 C ATOM 779 O ILE A 52 0.018 5.781 3.368 1.00 0.00 O ATOM 780 CB ILE A 52 -1.794 8.307 2.718 1.00 0.00 C ATOM 781 CG1 ILE A 52 -2.795 7.485 3.534 1.00 0.00 C ATOM 782 CG2 ILE A 52 -2.514 9.324 1.846 1.00 0.00 C ATOM 783 CD1 ILE A 52 -3.521 8.284 4.594 1.00 0.00 C ATOM 0 H ILE A 52 -2.148 5.688 1.850 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.478 7.983 1.044 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.150 8.841 3.416 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.528 7.047 2.857 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.268 6.659 4.012 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.129 9.970 2.473 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.781 9.928 1.311 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.149 8.804 1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.212 7.634 5.130 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.798 8.701 5.295 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.077 9.094 4.122 1.00 0.00 H new ATOM 795 N PRO A 53 1.400 7.394 2.617 1.00 0.00 N ATOM 796 CA PRO A 53 2.568 6.931 3.350 1.00 0.00 C ATOM 797 C PRO A 53 2.633 7.503 4.762 1.00 0.00 C ATOM 798 O PRO A 53 2.172 8.616 5.012 1.00 0.00 O ATOM 799 CB PRO A 53 3.744 7.448 2.515 1.00 0.00 C ATOM 800 CG PRO A 53 3.185 8.465 1.561 1.00 0.00 C ATOM 801 CD PRO A 53 1.708 8.592 1.834 1.00 0.00 C ATOM 0 HA PRO A 53 2.560 5.849 3.479 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.505 7.895 3.154 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.222 6.632 1.973 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.682 9.426 1.693 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.357 8.156 0.530 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.479 9.503 2.387 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.131 8.627 0.910 1.00 0.00 H new ATOM 809 N ALA A 54 3.203 6.734 5.678 1.00 0.00 N ATOM 810 CA ALA A 54 3.348 7.164 7.059 1.00 0.00 C ATOM 811 C ALA A 54 4.668 6.669 7.646 1.00 0.00 C ATOM 812 O ALA A 54 4.678 5.798 8.520 1.00 0.00 O ATOM 813 CB ALA A 54 2.175 6.669 7.892 1.00 0.00 C ATOM 0 H ALA A 54 3.574 5.803 5.487 1.00 0.00 H new ATOM 0 HA ALA A 54 3.355 8.254 7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.297 6.998 8.924 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.246 7.073 7.489 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.140 5.580 7.860 1.00 0.00 H new ATOM 819 N PHE A 55 5.773 7.197 7.114 1.00 0.00 N ATOM 820 CA PHE A 55 7.122 6.952 7.642 1.00 0.00 C ATOM 821 C PHE A 55 7.614 5.548 7.293 1.00 0.00 C ATOM 822 O PHE A 55 8.624 5.387 6.615 1.00 0.00 O ATOM 823 CB PHE A 55 7.172 7.181 9.161 1.00 0.00 C ATOM 824 CG PHE A 55 8.553 7.088 9.750 1.00 0.00 C ATOM 825 CD1 PHE A 55 9.415 8.173 9.700 1.00 0.00 C ATOM 826 CD2 PHE A 55 8.985 5.921 10.361 1.00 0.00 C ATOM 827 CE1 PHE A 55 10.681 8.095 10.247 1.00 0.00 C ATOM 828 CE2 PHE A 55 10.252 5.839 10.908 1.00 0.00 C ATOM 829 CZ PHE A 55 11.100 6.927 10.852 1.00 0.00 C ATOM 0 H PHE A 55 5.759 7.811 6.299 1.00 0.00 H new ATOM 0 HA PHE A 55 7.792 7.668 7.166 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.759 8.165 9.383 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.530 6.448 9.650 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.093 9.089 9.228 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.325 5.067 10.410 1.00 0.00 H new ATOM 0 HE1 PHE A 55 11.343 8.947 10.201 1.00 0.00 H new ATOM 0 HE2 PHE A 55 10.578 4.924 11.379 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.089 6.864 11.281 1.00 0.00 H new ATOM 839 N THR A 56 6.897 4.541 7.760 1.00 0.00 N ATOM 840 CA THR A 56 7.238 3.157 7.476 1.00 0.00 C ATOM 841 C THR A 56 5.983 2.372 7.114 1.00 0.00 C ATOM 842 O THR A 56 6.048 1.205 6.729 1.00 0.00 O ATOM 843 CB THR A 56 7.921 2.494 8.691 1.00 0.00 C ATOM 844 OG1 THR A 56 8.341 1.159 8.370 1.00 0.00 O ATOM 845 CG2 THR A 56 6.974 2.455 9.881 1.00 0.00 C ATOM 0 H THR A 56 6.068 4.657 8.343 1.00 0.00 H new ATOM 0 HA THR A 56 7.932 3.148 6.636 1.00 0.00 H new ATOM 0 HB THR A 56 8.796 3.090 8.950 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.773 0.755 9.151 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.473 1.984 10.728 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.685 3.471 10.149 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.085 1.882 9.620 1.00 0.00 H new ATOM 853 N SER A 57 4.838 3.021 7.234 1.00 0.00 N ATOM 854 CA SER A 57 3.573 2.348 7.039 1.00 0.00 C ATOM 855 C SER A 57 2.848 2.879 5.810 1.00 0.00 C ATOM 856 O SER A 57 2.810 4.083 5.564 1.00 0.00 O ATOM 857 CB SER A 57 2.702 2.521 8.284 1.00 0.00 C ATOM 858 OG SER A 57 3.408 2.132 9.452 1.00 0.00 O ATOM 0 H SER A 57 4.762 4.012 7.465 1.00 0.00 H new ATOM 0 HA SER A 57 3.768 1.288 6.877 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.389 3.561 8.373 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.796 1.923 8.185 1.00 0.00 H new ATOM 0 HG SER A 57 2.833 2.252 10.237 1.00 0.00 H new ATOM 864 N LEU A 58 2.290 1.966 5.043 1.00 0.00 N ATOM 865 CA LEU A 58 1.468 2.305 3.901 1.00 0.00 C ATOM 866 C LEU A 58 0.013 2.166 4.282 1.00 0.00 C ATOM 867 O LEU A 58 -0.431 1.087 4.682 1.00 0.00 O ATOM 868 CB LEU A 58 1.754 1.370 2.724 1.00 0.00 C ATOM 869 CG LEU A 58 2.542 1.968 1.562 1.00 0.00 C ATOM 870 CD1 LEU A 58 2.812 0.901 0.517 1.00 0.00 C ATOM 871 CD2 LEU A 58 1.802 3.147 0.937 1.00 0.00 C ATOM 0 H LEU A 58 2.395 0.963 5.195 1.00 0.00 H new ATOM 0 HA LEU A 58 1.696 3.329 3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.301 0.505 3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.802 1.003 2.339 1.00 0.00 H new ATOM 0 HG LEU A 58 3.491 2.339 1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.375 1.335 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.390 0.092 0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.866 0.509 0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.390 3.550 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.834 2.812 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.652 3.922 1.689 1.00 0.00 H new ATOM 883 N THR A 59 -0.721 3.247 4.177 1.00 0.00 N ATOM 884 CA THR A 59 -2.137 3.194 4.423 1.00 0.00 C ATOM 885 C THR A 59 -2.833 3.053 3.081 1.00 0.00 C ATOM 886 O THR A 59 -2.923 4.012 2.311 1.00 0.00 O ATOM 887 CB THR A 59 -2.613 4.459 5.153 1.00 0.00 C ATOM 888 OG1 THR A 59 -1.607 4.876 6.087 1.00 0.00 O ATOM 889 CG2 THR A 59 -3.907 4.197 5.901 1.00 0.00 C ATOM 0 H THR A 59 -0.362 4.168 3.924 1.00 0.00 H new ATOM 0 HA THR A 59 -2.376 2.345 5.064 1.00 0.00 H new ATOM 0 HB THR A 59 -2.788 5.240 4.413 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.908 5.684 6.553 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.224 5.107 6.410 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.679 3.888 5.196 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.749 3.407 6.635 1.00 0.00 H new ATOM 897 N VAL A 60 -3.301 1.852 2.799 1.00 0.00 N ATOM 898 CA VAL A 60 -3.774 1.514 1.473 1.00 0.00 C ATOM 899 C VAL A 60 -5.285 1.318 1.464 1.00 0.00 C ATOM 900 O VAL A 60 -5.824 0.404 2.093 1.00 0.00 O ATOM 901 CB VAL A 60 -3.056 0.252 0.941 1.00 0.00 C ATOM 902 CG1 VAL A 60 -3.577 -0.134 -0.436 1.00 0.00 C ATOM 903 CG2 VAL A 60 -1.542 0.475 0.903 1.00 0.00 C ATOM 0 H VAL A 60 -3.363 1.091 3.476 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.539 2.347 0.810 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.268 -0.572 1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.055 -1.024 -0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.646 -0.340 -0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.404 0.686 -1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.051 -0.422 0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.314 1.315 0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.181 0.691 1.908 1.00 0.00 H new ATOM 913 N PHE A 61 -5.956 2.200 0.750 1.00 0.00 N ATOM 914 CA PHE A 61 -7.400 2.199 0.661 1.00 0.00 C ATOM 915 C PHE A 61 -7.841 1.702 -0.706 1.00 0.00 C ATOM 916 O PHE A 61 -7.152 1.902 -1.711 1.00 0.00 O ATOM 917 CB PHE A 61 -7.937 3.608 0.881 1.00 0.00 C ATOM 918 CG PHE A 61 -7.656 4.178 2.240 1.00 0.00 C ATOM 919 CD1 PHE A 61 -6.437 4.778 2.523 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.620 4.129 3.233 1.00 0.00 C ATOM 921 CE1 PHE A 61 -6.190 5.316 3.768 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.377 4.663 4.481 1.00 0.00 C ATOM 923 CZ PHE A 61 -7.159 5.258 4.749 1.00 0.00 C ATOM 0 H PHE A 61 -5.510 2.943 0.212 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.794 1.535 1.430 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.507 4.268 0.128 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.015 3.601 0.720 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.674 4.824 1.760 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.574 3.667 3.027 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.238 5.783 3.976 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.137 4.616 5.247 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.965 5.677 5.725 1.00 0.00 H new ATOM 933 N TYR A 62 -9.002 1.085 -0.740 1.00 0.00 N ATOM 934 CA TYR A 62 -9.519 0.472 -1.946 1.00 0.00 C ATOM 935 C TYR A 62 -10.986 0.144 -1.754 1.00 0.00 C ATOM 936 O TYR A 62 -11.500 0.200 -0.636 1.00 0.00 O ATOM 937 CB TYR A 62 -8.720 -0.783 -2.306 1.00 0.00 C ATOM 938 CG TYR A 62 -8.388 -1.653 -1.121 1.00 0.00 C ATOM 939 CD1 TYR A 62 -9.377 -2.348 -0.447 1.00 0.00 C ATOM 940 CD2 TYR A 62 -7.081 -1.774 -0.675 1.00 0.00 C ATOM 941 CE1 TYR A 62 -9.071 -3.139 0.635 1.00 0.00 C ATOM 942 CE2 TYR A 62 -6.772 -2.567 0.410 1.00 0.00 C ATOM 943 CZ TYR A 62 -7.778 -3.247 1.058 1.00 0.00 C ATOM 944 OH TYR A 62 -7.496 -4.047 2.134 1.00 0.00 O ATOM 0 H TYR A 62 -9.616 0.994 0.069 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.417 1.173 -2.774 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.288 -1.370 -3.028 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.794 -0.484 -2.797 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -10.403 -2.268 -0.775 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.293 -1.239 -1.185 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.854 -3.675 1.150 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.750 -2.654 0.748 1.00 0.00 H new ATOM 0 HH TYR A 62 -8.266 -4.064 2.740 1.00 0.00 H new ATOM 954 N ASP A 63 -11.652 -0.185 -2.836 1.00 0.00 N ATOM 955 CA ASP A 63 -13.078 -0.402 -2.797 1.00 0.00 C ATOM 956 C ASP A 63 -13.388 -1.889 -2.760 1.00 0.00 C ATOM 957 O ASP A 63 -13.097 -2.626 -3.706 1.00 0.00 O ATOM 958 CB ASP A 63 -13.740 0.251 -4.002 1.00 0.00 C ATOM 959 CG ASP A 63 -15.065 0.882 -3.636 1.00 0.00 C ATOM 960 OD1 ASP A 63 -15.910 0.187 -3.032 1.00 0.00 O ATOM 961 OD2 ASP A 63 -15.265 2.077 -3.939 1.00 0.00 O ATOM 0 H ASP A 63 -11.228 -0.308 -3.755 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.477 0.054 -1.891 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -13.076 1.011 -4.415 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -13.895 -0.495 -4.782 1.00 0.00 H new ATOM 966 N MET A 64 -13.988 -2.317 -1.660 1.00 0.00 N ATOM 967 CA MET A 64 -14.255 -3.731 -1.403 1.00 0.00 C ATOM 968 C MET A 64 -15.187 -4.339 -2.450 1.00 0.00 C ATOM 969 O MET A 64 -15.194 -5.552 -2.642 1.00 0.00 O ATOM 970 CB MET A 64 -14.856 -3.929 -0.006 1.00 0.00 C ATOM 971 CG MET A 64 -16.184 -3.214 0.194 1.00 0.00 C ATOM 972 SD MET A 64 -16.005 -1.421 0.245 1.00 0.00 S ATOM 973 CE MET A 64 -17.595 -0.902 -0.385 1.00 0.00 C ATOM 0 H MET A 64 -14.306 -1.695 -0.916 1.00 0.00 H new ATOM 0 HA MET A 64 -13.296 -4.246 -1.461 1.00 0.00 H new ATOM 0 HB2 MET A 64 -14.997 -4.995 0.172 1.00 0.00 H new ATOM 0 HB3 MET A 64 -14.145 -3.573 0.740 1.00 0.00 H new ATOM 0 HG2 MET A 64 -16.864 -3.485 -0.614 1.00 0.00 H new ATOM 0 HG3 MET A 64 -16.641 -3.556 1.123 1.00 0.00 H new ATOM 0 HE1 MET A 64 -17.637 0.187 -0.413 1.00 0.00 H new ATOM 0 HE2 MET A 64 -17.734 -1.297 -1.391 1.00 0.00 H new ATOM 0 HE3 MET A 64 -18.385 -1.279 0.265 1.00 0.00 H new ATOM 983 N TYR A 65 -15.960 -3.504 -3.132 1.00 0.00 N ATOM 984 CA TYR A 65 -16.887 -4.001 -4.142 1.00 0.00 C ATOM 985 C TYR A 65 -16.108 -4.535 -5.343 1.00 0.00 C ATOM 986 O TYR A 65 -16.544 -5.463 -6.023 1.00 0.00 O ATOM 987 CB TYR A 65 -17.858 -2.890 -4.589 1.00 0.00 C ATOM 988 CG TYR A 65 -17.414 -2.137 -5.831 1.00 0.00 C ATOM 989 CD1 TYR A 65 -16.416 -1.174 -5.771 1.00 0.00 C ATOM 990 CD2 TYR A 65 -17.987 -2.407 -7.067 1.00 0.00 C ATOM 991 CE1 TYR A 65 -16.001 -0.503 -6.906 1.00 0.00 C ATOM 992 CE2 TYR A 65 -17.580 -1.738 -8.205 1.00 0.00 C ATOM 993 CZ TYR A 65 -16.585 -0.789 -8.118 1.00 0.00 C ATOM 994 OH TYR A 65 -16.171 -0.128 -9.250 1.00 0.00 O ATOM 0 H TYR A 65 -15.965 -2.492 -3.007 1.00 0.00 H new ATOM 0 HA TYR A 65 -17.473 -4.810 -3.706 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.837 -3.332 -4.776 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -17.980 -2.180 -3.771 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -15.956 -0.945 -4.821 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -18.764 -3.153 -7.140 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.222 0.242 -6.841 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -18.039 -1.958 -9.158 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.684 -0.448 -10.022 1.00 0.00 H new ATOM 1004 N GLU A 66 -14.942 -3.949 -5.581 1.00 0.00 N ATOM 1005 CA GLU A 66 -14.163 -4.252 -6.766 1.00 0.00 C ATOM 1006 C GLU A 66 -13.189 -5.369 -6.448 1.00 0.00 C ATOM 1007 O GLU A 66 -12.859 -6.201 -7.294 1.00 0.00 O ATOM 1008 CB GLU A 66 -13.413 -3.006 -7.226 1.00 0.00 C ATOM 1009 CG GLU A 66 -13.369 -2.826 -8.734 1.00 0.00 C ATOM 1010 CD GLU A 66 -12.654 -3.955 -9.441 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -11.440 -4.121 -9.219 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -13.310 -4.685 -10.215 1.00 0.00 O ATOM 0 H GLU A 66 -14.516 -3.258 -4.963 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.825 -4.572 -7.570 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.881 -2.129 -6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.392 -3.050 -6.847 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.387 -2.752 -9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.872 -1.885 -8.968 1.00 0.00 H new ATOM 1019 N VAL A 67 -12.727 -5.381 -5.210 1.00 0.00 N ATOM 1020 CA VAL A 67 -11.852 -6.437 -4.761 1.00 0.00 C ATOM 1021 C VAL A 67 -12.632 -7.745 -4.725 1.00 0.00 C ATOM 1022 O VAL A 67 -12.135 -8.775 -5.156 1.00 0.00 O ATOM 1023 CB VAL A 67 -11.214 -6.114 -3.385 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -10.701 -4.689 -3.377 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -12.178 -6.324 -2.235 1.00 0.00 C ATOM 0 H VAL A 67 -12.944 -4.675 -4.506 1.00 0.00 H new ATOM 0 HA VAL A 67 -11.024 -6.532 -5.463 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.386 -6.808 -3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.254 -4.469 -2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.951 -4.568 -4.158 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.529 -4.003 -3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.681 -6.084 -1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -13.044 -5.675 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.503 -7.364 -2.218 1.00 0.00 H new ATOM 1035 N TYR A 68 -13.884 -7.668 -4.262 1.00 0.00 N ATOM 1036 CA TYR A 68 -14.807 -8.800 -4.282 1.00 0.00 C ATOM 1037 C TYR A 68 -15.104 -9.219 -5.710 1.00 0.00 C ATOM 1038 O TYR A 68 -15.441 -10.371 -5.976 1.00 0.00 O ATOM 1039 CB TYR A 68 -16.123 -8.430 -3.597 1.00 0.00 C ATOM 1040 CG TYR A 68 -16.316 -9.017 -2.218 1.00 0.00 C ATOM 1041 CD1 TYR A 68 -16.335 -10.393 -2.024 1.00 0.00 C ATOM 1042 CD2 TYR A 68 -16.512 -8.195 -1.116 1.00 0.00 C ATOM 1043 CE1 TYR A 68 -16.544 -10.933 -0.770 1.00 0.00 C ATOM 1044 CE2 TYR A 68 -16.716 -8.728 0.143 1.00 0.00 C ATOM 1045 CZ TYR A 68 -16.731 -10.097 0.310 1.00 0.00 C ATOM 1046 OH TYR A 68 -16.947 -10.631 1.561 1.00 0.00 O ATOM 0 H TYR A 68 -14.283 -6.818 -3.864 1.00 0.00 H new ATOM 0 HA TYR A 68 -14.334 -9.625 -3.748 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -16.184 -7.344 -3.524 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -16.948 -8.754 -4.231 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -16.184 -11.051 -2.867 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -16.505 -7.123 -1.245 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -16.561 -12.005 -0.636 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -16.863 -8.076 0.991 1.00 0.00 H new ATOM 0 HH TYR A 68 -17.059 -9.906 2.211 1.00 0.00 H new ATOM 1056 N LYS A 69 -14.973 -8.270 -6.628 1.00 0.00 N ATOM 1057 CA LYS A 69 -15.237 -8.520 -8.026 1.00 0.00 C ATOM 1058 C LYS A 69 -14.147 -9.416 -8.604 1.00 0.00 C ATOM 1059 O LYS A 69 -14.332 -10.068 -9.631 1.00 0.00 O ATOM 1060 CB LYS A 69 -15.276 -7.201 -8.781 1.00 0.00 C ATOM 1061 CG LYS A 69 -16.100 -7.237 -10.056 1.00 0.00 C ATOM 1062 CD LYS A 69 -17.582 -7.194 -9.734 1.00 0.00 C ATOM 1063 CE LYS A 69 -17.947 -5.897 -9.027 1.00 0.00 C ATOM 1064 NZ LYS A 69 -19.266 -5.988 -8.354 1.00 0.00 N ATOM 0 H LYS A 69 -14.683 -7.315 -6.420 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.200 -9.020 -8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -15.679 -6.431 -8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.256 -6.907 -9.029 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -15.835 -6.391 -10.691 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -15.870 -8.142 -10.619 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -18.161 -7.287 -10.653 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -17.846 -8.043 -9.104 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -17.180 -5.656 -8.291 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -17.963 -5.081 -9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -19.479 -5.085 -7.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -20.002 -6.193 -9.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -19.243 -6.750 -7.646 1.00 0.00 H new ATOM 1078 N HIS A 70 -13.006 -9.427 -7.927 1.00 0.00 N ATOM 1079 CA HIS A 70 -11.879 -10.254 -8.324 1.00 0.00 C ATOM 1080 C HIS A 70 -11.747 -11.461 -7.398 1.00 0.00 C ATOM 1081 O HIS A 70 -11.492 -12.561 -7.875 1.00 0.00 O ATOM 1082 CB HIS A 70 -10.581 -9.438 -8.318 1.00 0.00 C ATOM 1083 CG HIS A 70 -10.455 -8.489 -9.474 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -10.808 -7.154 -9.411 1.00 0.00 N ATOM 1085 CD2 HIS A 70 -9.990 -8.688 -10.731 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -10.563 -6.583 -10.576 1.00 0.00 C ATOM 1087 NE2 HIS A 70 -10.069 -7.489 -11.392 1.00 0.00 N ATOM 0 H HIS A 70 -12.838 -8.866 -7.092 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.060 -10.611 -9.338 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.523 -8.872 -7.388 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.733 -10.122 -8.328 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -11.197 -6.684 -8.593 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.624 -9.619 -11.138 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -10.739 -5.545 -10.819 1.00 0.00 H new ATOM 1096 N LEU A 71 -11.932 -11.207 -6.084 1.00 0.00 N ATOM 1097 CA LEU A 71 -11.857 -12.204 -4.989 1.00 0.00 C ATOM 1098 C LEU A 71 -11.716 -13.646 -5.479 1.00 0.00 C ATOM 1099 O LEU A 71 -12.708 -14.369 -5.606 1.00 0.00 O ATOM 1100 CB LEU A 71 -13.102 -12.099 -4.095 1.00 0.00 C ATOM 1101 CG LEU A 71 -12.861 -11.677 -2.634 1.00 0.00 C ATOM 1102 CD1 LEU A 71 -11.909 -12.630 -1.931 1.00 0.00 C ATOM 1103 CD2 LEU A 71 -12.323 -10.263 -2.554 1.00 0.00 C ATOM 0 H LEU A 71 -12.145 -10.270 -5.743 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.953 -11.966 -4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.789 -11.384 -4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.604 -13.067 -4.093 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.825 -11.714 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.761 -12.303 -0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.331 -13.635 -1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.951 -12.637 -2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.163 -9.993 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.378 -10.202 -3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.041 -9.575 -3.001 1.00 0.00 H new ATOM 1115 N PRO A 72 -10.476 -14.074 -5.762 1.00 0.00 N ATOM 1116 CA PRO A 72 -10.189 -15.420 -6.275 1.00 0.00 C ATOM 1117 C PRO A 72 -10.628 -16.526 -5.320 1.00 0.00 C ATOM 1118 O PRO A 72 -10.896 -16.266 -4.148 1.00 0.00 O ATOM 1119 CB PRO A 72 -8.667 -15.424 -6.446 1.00 0.00 C ATOM 1120 CG PRO A 72 -8.295 -13.985 -6.532 1.00 0.00 C ATOM 1121 CD PRO A 72 -9.253 -13.269 -5.632 1.00 0.00 C ATOM 0 HA PRO A 72 -10.734 -15.622 -7.197 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.175 -15.911 -5.604 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.370 -15.965 -7.345 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.265 -13.826 -6.214 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.372 -13.620 -7.556 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.896 -13.237 -4.603 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.411 -12.237 -5.946 1.00 0.00 H new ATOM 1129 N GLN A 73 -10.687 -17.754 -5.812 1.00 0.00 N ATOM 1130 CA GLN A 73 -11.220 -18.871 -5.035 1.00 0.00 C ATOM 1131 C GLN A 73 -10.395 -19.115 -3.768 1.00 0.00 C ATOM 1132 O GLN A 73 -10.948 -19.335 -2.684 1.00 0.00 O ATOM 1133 CB GLN A 73 -11.270 -20.135 -5.905 1.00 0.00 C ATOM 1134 CG GLN A 73 -12.232 -21.197 -5.396 1.00 0.00 C ATOM 1135 CD GLN A 73 -11.678 -22.000 -4.236 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -10.472 -22.237 -4.145 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -12.552 -22.408 -3.333 1.00 0.00 N ATOM 0 H GLN A 73 -10.372 -18.006 -6.749 1.00 0.00 H new ATOM 0 HA GLN A 73 -12.232 -18.617 -4.720 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.557 -19.855 -6.919 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.269 -20.563 -5.964 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.161 -20.718 -5.087 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.480 -21.875 -6.213 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.542 -22.190 -3.447 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -12.237 -22.941 -2.522 1.00 0.00 H new ATOM 1146 N GLY A 74 -9.078 -19.048 -3.897 1.00 0.00 N ATOM 1147 CA GLY A 74 -8.208 -19.321 -2.771 1.00 0.00 C ATOM 1148 C GLY A 74 -8.169 -18.166 -1.800 1.00 0.00 C ATOM 1149 O GLY A 74 -7.777 -18.321 -0.643 1.00 0.00 O ATOM 0 H GLY A 74 -8.595 -18.809 -4.763 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.551 -20.218 -2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.200 -19.527 -3.132 1.00 0.00 H new ATOM 1153 N ILE A 75 -8.581 -17.007 -2.279 1.00 0.00 N ATOM 1154 CA ILE A 75 -8.637 -15.808 -1.462 1.00 0.00 C ATOM 1155 C ILE A 75 -9.982 -15.716 -0.750 1.00 0.00 C ATOM 1156 O ILE A 75 -11.030 -15.665 -1.390 1.00 0.00 O ATOM 1157 CB ILE A 75 -8.443 -14.553 -2.328 1.00 0.00 C ATOM 1158 CG1 ILE A 75 -7.167 -14.668 -3.171 1.00 0.00 C ATOM 1159 CG2 ILE A 75 -8.400 -13.313 -1.450 1.00 0.00 C ATOM 1160 CD1 ILE A 75 -5.895 -14.319 -2.427 1.00 0.00 C ATOM 0 H ILE A 75 -8.886 -16.870 -3.243 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.835 -15.865 -0.726 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.289 -14.466 -3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.085 -15.687 -3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.258 -14.014 -4.038 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.262 -12.430 -2.074 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.336 -13.225 -0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.571 -13.393 -0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.041 -14.427 -3.096 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.951 -13.290 -2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.776 -14.989 -1.576 1.00 0.00 H new ATOM 1172 N SER A 76 -9.958 -15.712 0.569 1.00 0.00 N ATOM 1173 CA SER A 76 -11.180 -15.583 1.342 1.00 0.00 C ATOM 1174 C SER A 76 -11.343 -14.162 1.871 1.00 0.00 C ATOM 1175 O SER A 76 -12.401 -13.794 2.379 1.00 0.00 O ATOM 1176 CB SER A 76 -11.158 -16.580 2.496 1.00 0.00 C ATOM 1177 OG SER A 76 -11.022 -17.906 2.011 1.00 0.00 O ATOM 0 H SER A 76 -9.108 -15.796 1.127 1.00 0.00 H new ATOM 0 HA SER A 76 -12.030 -15.798 0.694 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.332 -16.347 3.169 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.076 -16.492 3.076 1.00 0.00 H new ATOM 0 HG SER A 76 -11.008 -18.531 2.766 1.00 0.00 H new ATOM 1183 N SER A 77 -10.302 -13.359 1.721 1.00 0.00 N ATOM 1184 CA SER A 77 -10.294 -12.014 2.275 1.00 0.00 C ATOM 1185 C SER A 77 -10.061 -10.961 1.192 1.00 0.00 C ATOM 1186 O SER A 77 -9.076 -11.013 0.463 1.00 0.00 O ATOM 1187 CB SER A 77 -9.193 -11.917 3.321 1.00 0.00 C ATOM 1188 OG SER A 77 -9.390 -12.858 4.362 1.00 0.00 O ATOM 0 H SER A 77 -9.451 -13.615 1.220 1.00 0.00 H new ATOM 0 HA SER A 77 -11.268 -11.822 2.725 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.225 -12.089 2.851 1.00 0.00 H new ATOM 0 HB3 SER A 77 -9.171 -10.910 3.737 1.00 0.00 H new ATOM 0 HG SER A 77 -8.668 -12.775 5.019 1.00 0.00 H new ATOM 1194 N PRO A 78 -10.989 -9.993 1.073 1.00 0.00 N ATOM 1195 CA PRO A 78 -10.856 -8.845 0.158 1.00 0.00 C ATOM 1196 C PRO A 78 -9.509 -8.130 0.258 1.00 0.00 C ATOM 1197 O PRO A 78 -8.898 -7.818 -0.755 1.00 0.00 O ATOM 1198 CB PRO A 78 -11.994 -7.936 0.610 1.00 0.00 C ATOM 1199 CG PRO A 78 -13.042 -8.897 1.031 1.00 0.00 C ATOM 1200 CD PRO A 78 -12.289 -9.963 1.782 1.00 0.00 C ATOM 0 HA PRO A 78 -10.904 -9.148 -0.888 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.690 -7.286 1.430 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.340 -7.290 -0.197 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.790 -8.418 1.663 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.569 -9.312 0.172 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.171 -9.711 2.836 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.797 -10.926 1.739 1.00 0.00 H new ATOM 1208 N PHE A 79 -9.060 -7.849 1.471 1.00 0.00 N ATOM 1209 CA PHE A 79 -7.749 -7.249 1.674 1.00 0.00 C ATOM 1210 C PHE A 79 -6.634 -8.155 1.141 1.00 0.00 C ATOM 1211 O PHE A 79 -5.602 -7.676 0.680 1.00 0.00 O ATOM 1212 CB PHE A 79 -7.558 -6.943 3.163 1.00 0.00 C ATOM 1213 CG PHE A 79 -6.603 -7.843 3.903 1.00 0.00 C ATOM 1214 CD1 PHE A 79 -6.992 -9.101 4.338 1.00 0.00 C ATOM 1215 CD2 PHE A 79 -5.318 -7.411 4.180 1.00 0.00 C ATOM 1216 CE1 PHE A 79 -6.111 -9.912 5.028 1.00 0.00 C ATOM 1217 CE2 PHE A 79 -4.436 -8.213 4.870 1.00 0.00 C ATOM 1218 CZ PHE A 79 -4.830 -9.466 5.295 1.00 0.00 C ATOM 0 H PHE A 79 -9.582 -8.026 2.329 1.00 0.00 H new ATOM 0 HA PHE A 79 -7.693 -6.317 1.112 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.208 -5.915 3.261 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.530 -6.996 3.653 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -7.994 -9.451 4.136 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.002 -6.432 3.851 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -6.423 -10.892 5.358 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.436 -7.862 5.079 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.139 -10.096 5.835 1.00 0.00 H new ATOM 1228 N GLU A 80 -6.866 -9.460 1.171 1.00 0.00 N ATOM 1229 CA GLU A 80 -5.848 -10.422 0.785 1.00 0.00 C ATOM 1230 C GLU A 80 -5.675 -10.463 -0.730 1.00 0.00 C ATOM 1231 O GLU A 80 -4.571 -10.685 -1.223 1.00 0.00 O ATOM 1232 CB GLU A 80 -6.198 -11.812 1.320 1.00 0.00 C ATOM 1233 CG GLU A 80 -5.234 -12.900 0.879 1.00 0.00 C ATOM 1234 CD GLU A 80 -5.646 -14.272 1.362 1.00 0.00 C ATOM 1235 OE1 GLU A 80 -6.863 -14.553 1.400 1.00 0.00 O ATOM 1236 OE2 GLU A 80 -4.756 -15.069 1.718 1.00 0.00 O ATOM 0 H GLU A 80 -7.752 -9.875 1.459 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.902 -10.105 1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.218 -11.777 2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.203 -12.075 0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.171 -12.906 -0.209 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.237 -12.671 1.255 1.00 0.00 H new ATOM 1243 N SER A 81 -6.752 -10.217 -1.473 1.00 0.00 N ATOM 1244 CA SER A 81 -6.667 -10.249 -2.923 1.00 0.00 C ATOM 1245 C SER A 81 -5.917 -9.023 -3.391 1.00 0.00 C ATOM 1246 O SER A 81 -5.180 -9.051 -4.375 1.00 0.00 O ATOM 1247 CB SER A 81 -8.061 -10.302 -3.555 1.00 0.00 C ATOM 1248 OG SER A 81 -8.885 -9.254 -3.079 1.00 0.00 O ATOM 0 H SER A 81 -7.676 -9.998 -1.100 1.00 0.00 H new ATOM 0 HA SER A 81 -6.135 -11.148 -3.234 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.973 -10.234 -4.639 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.526 -11.262 -3.333 1.00 0.00 H new ATOM 0 HG SER A 81 -8.495 -8.876 -2.263 1.00 0.00 H new ATOM 1254 N VAL A 82 -6.106 -7.955 -2.640 1.00 0.00 N ATOM 1255 CA VAL A 82 -5.442 -6.692 -2.890 1.00 0.00 C ATOM 1256 C VAL A 82 -3.951 -6.786 -2.604 1.00 0.00 C ATOM 1257 O VAL A 82 -3.141 -6.178 -3.307 1.00 0.00 O ATOM 1258 CB VAL A 82 -6.041 -5.592 -2.014 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -5.371 -4.264 -2.295 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -7.540 -5.519 -2.223 1.00 0.00 C ATOM 0 H VAL A 82 -6.730 -7.940 -1.833 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.589 -6.451 -3.943 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.860 -5.832 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.811 -3.493 -1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.305 -4.342 -2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.514 -3.999 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.957 -4.732 -1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.751 -5.298 -3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.992 -6.474 -1.956 1.00 0.00 H new ATOM 1270 N LYS A 83 -3.592 -7.541 -1.565 1.00 0.00 N ATOM 1271 CA LYS A 83 -2.191 -7.734 -1.217 1.00 0.00 C ATOM 1272 C LYS A 83 -1.432 -8.194 -2.438 1.00 0.00 C ATOM 1273 O LYS A 83 -0.367 -7.692 -2.751 1.00 0.00 O ATOM 1274 CB LYS A 83 -2.019 -8.784 -0.120 1.00 0.00 C ATOM 1275 CG LYS A 83 -2.598 -8.403 1.224 1.00 0.00 C ATOM 1276 CD LYS A 83 -1.933 -9.183 2.342 1.00 0.00 C ATOM 1277 CE LYS A 83 -2.085 -10.681 2.162 1.00 0.00 C ATOM 1278 NZ LYS A 83 -1.232 -11.423 3.120 1.00 0.00 N ATOM 0 H LYS A 83 -4.251 -8.025 -0.955 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.807 -6.782 -0.851 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.485 -9.712 -0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.955 -8.988 0.004 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.465 -7.334 1.392 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.671 -8.595 1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.874 -8.929 2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.367 -8.887 3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.128 -10.963 2.305 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.817 -10.957 1.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.355 -12.445 2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.235 -11.169 2.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.506 -11.176 4.092 1.00 0.00 H new ATOM 1292 N ARG A 84 -2.040 -9.109 -3.155 1.00 0.00 N ATOM 1293 CA ARG A 84 -1.399 -9.751 -4.283 1.00 0.00 C ATOM 1294 C ARG A 84 -1.172 -8.756 -5.418 1.00 0.00 C ATOM 1295 O ARG A 84 -0.193 -8.859 -6.156 1.00 0.00 O ATOM 1296 CB ARG A 84 -2.258 -10.925 -4.733 1.00 0.00 C ATOM 1297 CG ARG A 84 -2.697 -11.809 -3.570 1.00 0.00 C ATOM 1298 CD ARG A 84 -1.500 -12.342 -2.781 1.00 0.00 C ATOM 1299 NE ARG A 84 -1.895 -13.255 -1.708 1.00 0.00 N ATOM 1300 CZ ARG A 84 -1.285 -13.345 -0.517 1.00 0.00 C ATOM 1301 NH1 ARG A 84 -0.272 -12.542 -0.206 1.00 0.00 N ATOM 1302 NH2 ARG A 84 -1.705 -14.241 0.370 1.00 0.00 N ATOM 0 H ARG A 84 -2.991 -9.431 -2.975 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.418 -10.122 -3.986 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.140 -10.548 -5.251 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.699 -11.526 -5.451 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.347 -11.240 -2.905 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.284 -12.645 -3.950 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.822 -12.858 -3.461 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.948 -11.504 -2.355 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.692 -13.868 -1.878 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.051 -11.845 -0.877 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.182 -12.623 0.704 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.487 -14.855 0.143 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.245 -14.314 1.278 1.00 0.00 H new ATOM 1316 N ASP A 85 -2.067 -7.777 -5.532 1.00 0.00 N ATOM 1317 CA ASP A 85 -1.939 -6.720 -6.523 1.00 0.00 C ATOM 1318 C ASP A 85 -0.825 -5.759 -6.160 1.00 0.00 C ATOM 1319 O ASP A 85 -0.144 -5.222 -7.030 1.00 0.00 O ATOM 1320 CB ASP A 85 -3.245 -5.939 -6.656 1.00 0.00 C ATOM 1321 CG ASP A 85 -4.232 -6.622 -7.579 1.00 0.00 C ATOM 1322 OD1 ASP A 85 -4.807 -7.658 -7.190 1.00 0.00 O ATOM 1323 OD2 ASP A 85 -4.424 -6.129 -8.710 1.00 0.00 O ATOM 0 H ASP A 85 -2.895 -7.697 -4.942 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.702 -7.198 -7.474 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.696 -5.819 -5.671 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.031 -4.939 -7.033 1.00 0.00 H new ATOM 1328 N VAL A 86 -0.649 -5.516 -4.877 1.00 0.00 N ATOM 1329 CA VAL A 86 0.360 -4.574 -4.441 1.00 0.00 C ATOM 1330 C VAL A 86 1.718 -5.259 -4.280 1.00 0.00 C ATOM 1331 O VAL A 86 2.740 -4.700 -4.665 1.00 0.00 O ATOM 1332 CB VAL A 86 -0.063 -3.839 -3.148 1.00 0.00 C ATOM 1333 CG1 VAL A 86 -1.427 -3.200 -3.344 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.081 -4.763 -1.942 1.00 0.00 C ATOM 0 H VAL A 86 -1.185 -5.952 -4.126 1.00 0.00 H new ATOM 0 HA VAL A 86 0.460 -3.817 -5.219 1.00 0.00 H new ATOM 0 HB VAL A 86 0.679 -3.066 -2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.721 -2.683 -2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.379 -2.486 -4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.160 -3.972 -3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.384 -4.202 -1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.787 -5.575 -2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.915 -5.176 -1.785 1.00 0.00 H new ATOM 1344 N GLU A 87 1.713 -6.487 -3.760 1.00 0.00 N ATOM 1345 CA GLU A 87 2.936 -7.260 -3.553 1.00 0.00 C ATOM 1346 C GLU A 87 3.663 -7.529 -4.856 1.00 0.00 C ATOM 1347 O GLU A 87 4.876 -7.510 -4.890 1.00 0.00 O ATOM 1348 CB GLU A 87 2.631 -8.593 -2.881 1.00 0.00 C ATOM 1349 CG GLU A 87 2.216 -8.473 -1.426 1.00 0.00 C ATOM 1350 CD GLU A 87 1.911 -9.821 -0.808 1.00 0.00 C ATOM 1351 OE1 GLU A 87 0.837 -10.386 -1.113 1.00 0.00 O ATOM 1352 OE2 GLU A 87 2.747 -10.320 -0.028 1.00 0.00 O ATOM 0 H GLU A 87 0.863 -6.972 -3.472 1.00 0.00 H new ATOM 0 HA GLU A 87 3.577 -6.658 -2.909 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.836 -9.093 -3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.513 -9.230 -2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.012 -7.987 -0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.337 -7.833 -1.352 1.00 0.00 H new