USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 558 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 4 MET CE :methyl -109:sc= -0.793 (180deg=-4.07!) USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 9 TYR OH : rot -149:sc=0.000825 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 16 HIS : no HD1:sc= -6.69! C(o=-6.7!,f=-7.1!) USER MOD Single : A 18 THR OG1 : rot 140:sc= -1.27 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0827 USER MOD Single : A 26 THR OG1 : rot -140:sc= -0.593 USER MOD Single : A 28 CYS SG : rot -163:sc= -6.66! USER MOD Single : A 35 CYS SG : rot 12:sc= -5.34 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot 37:sc= -0.439 USER MOD Single : A 44 HIS :FLIP no HE2:sc= -0.259 F(o=-3.4,f=-0.26) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 98:sc= 1.16 USER MOD Single : A 59 ASN : amide:sc= -0.166 K(o=-0.17,f=-4!) USER MOD Single : A 62 MET CE :methyl -147:sc= -5.05! (180deg=-11!) USER MOD Single : A 67 GLN : amide:sc= -0.228 K(o=-0.23,f=-2.9!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.994 K(o=-0.99,f=-5.5!) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 4 -3.450 -1.522 -11.608 1.00 0.00 N ATOM 77 CA MET A 4 -2.479 -2.189 -10.750 1.00 0.00 C ATOM 78 C MET A 4 -3.071 -2.433 -9.367 1.00 0.00 C ATOM 79 O MET A 4 -4.267 -2.236 -9.154 1.00 0.00 O ATOM 80 CB MET A 4 -1.202 -1.352 -10.637 1.00 0.00 C ATOM 81 CG MET A 4 -0.530 -1.081 -11.973 1.00 0.00 C ATOM 82 SD MET A 4 1.255 -0.879 -11.823 1.00 0.00 S ATOM 83 CE MET A 4 1.778 -2.585 -11.685 1.00 0.00 C ATOM 0 HA MET A 4 -2.228 -3.151 -11.197 1.00 0.00 H new ATOM 0 HB2 MET A 4 -1.442 -0.401 -10.161 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.497 -1.866 -9.983 1.00 0.00 H new ATOM 0 HG2 MET A 4 -0.743 -1.903 -12.656 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.958 -0.181 -12.415 1.00 0.00 H new ATOM 0 HE1 MET A 4 2.116 -2.781 -10.667 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.942 -3.242 -11.923 1.00 0.00 H new ATOM 0 HE3 MET A 4 2.596 -2.772 -12.381 1.00 0.00 H new ATOM 93 N PHE A 5 -2.236 -2.868 -8.430 1.00 0.00 N ATOM 94 CA PHE A 5 -2.698 -3.139 -7.076 1.00 0.00 C ATOM 95 C PHE A 5 -1.565 -3.025 -6.070 1.00 0.00 C ATOM 96 O PHE A 5 -0.390 -2.995 -6.437 1.00 0.00 O ATOM 97 CB PHE A 5 -3.317 -4.537 -7.007 1.00 0.00 C ATOM 98 CG PHE A 5 -2.334 -5.641 -7.275 1.00 0.00 C ATOM 99 CD1 PHE A 5 -1.711 -5.747 -8.507 1.00 0.00 C ATOM 100 CD2 PHE A 5 -2.033 -6.571 -6.293 1.00 0.00 C ATOM 101 CE1 PHE A 5 -0.805 -6.761 -8.757 1.00 0.00 C ATOM 102 CE2 PHE A 5 -1.129 -7.588 -6.536 1.00 0.00 C ATOM 103 CZ PHE A 5 -0.515 -7.682 -7.769 1.00 0.00 C ATOM 0 H PHE A 5 -1.242 -3.039 -8.582 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.451 -2.393 -6.821 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.756 -4.683 -6.020 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.130 -4.602 -7.730 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.935 -5.029 -9.282 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.510 -6.500 -5.327 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.325 -6.833 -9.722 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.903 -8.308 -5.763 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.192 -8.476 -7.961 1.00 0.00 H new ATOM 113 N LEU A 6 -1.930 -2.947 -4.796 1.00 0.00 N ATOM 114 CA LEU A 6 -0.947 -2.818 -3.727 1.00 0.00 C ATOM 115 C LEU A 6 -1.145 -3.881 -2.642 1.00 0.00 C ATOM 116 O LEU A 6 -2.272 -4.225 -2.288 1.00 0.00 O ATOM 117 CB LEU A 6 -1.014 -1.403 -3.144 1.00 0.00 C ATOM 118 CG LEU A 6 -1.267 -1.304 -1.642 1.00 0.00 C ATOM 119 CD1 LEU A 6 -0.821 0.049 -1.122 1.00 0.00 C ATOM 120 CD2 LEU A 6 -2.736 -1.539 -1.349 1.00 0.00 C ATOM 0 H LEU A 6 -2.899 -2.971 -4.478 1.00 0.00 H new ATOM 0 HA LEU A 6 0.046 -2.984 -4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.075 -0.896 -3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.803 -0.856 -3.661 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.686 -2.071 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.007 0.106 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.244 0.179 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.379 0.836 -1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.909 -1.467 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.335 -0.788 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.022 -2.532 -1.697 1.00 0.00 H new ATOM 132 N THR A 7 -0.031 -4.390 -2.120 1.00 0.00 N ATOM 133 CA THR A 7 -0.062 -5.409 -1.069 1.00 0.00 C ATOM 134 C THR A 7 0.269 -4.794 0.284 1.00 0.00 C ATOM 135 O THR A 7 1.395 -4.346 0.519 1.00 0.00 O ATOM 136 CB THR A 7 0.916 -6.547 -1.374 1.00 0.00 C ATOM 137 OG1 THR A 7 0.629 -7.134 -2.631 1.00 0.00 O ATOM 138 CG2 THR A 7 0.890 -7.651 -0.333 1.00 0.00 C ATOM 0 H THR A 7 0.908 -4.113 -2.408 1.00 0.00 H new ATOM 0 HA THR A 7 -1.071 -5.819 -1.036 1.00 0.00 H new ATOM 0 HB THR A 7 1.905 -6.088 -1.372 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.266 -7.857 -2.807 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.605 -8.427 -0.607 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.157 -7.240 0.640 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.110 -8.081 -0.283 1.00 0.00 H new ATOM 146 N VAL A 8 -0.721 -4.770 1.168 1.00 0.00 N ATOM 147 CA VAL A 8 -0.554 -4.200 2.499 1.00 0.00 C ATOM 148 C VAL A 8 -0.082 -5.251 3.490 1.00 0.00 C ATOM 149 O VAL A 8 -0.222 -6.443 3.250 1.00 0.00 O ATOM 150 CB VAL A 8 -1.864 -3.583 3.019 1.00 0.00 C ATOM 151 CG1 VAL A 8 -1.573 -2.526 4.072 1.00 0.00 C ATOM 152 CG2 VAL A 8 -2.682 -3.000 1.875 1.00 0.00 C ATOM 0 H VAL A 8 -1.653 -5.141 0.985 1.00 0.00 H new ATOM 0 HA VAL A 8 0.199 -3.417 2.411 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.454 -4.374 3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.511 -2.100 4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.040 -2.981 4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.959 -1.738 3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.603 -2.570 2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.104 -2.224 1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.925 -3.789 1.163 1.00 0.00 H new ATOM 162 N TYR A 9 0.494 -4.795 4.595 1.00 0.00 N ATOM 163 CA TYR A 9 1.011 -5.689 5.618 1.00 0.00 C ATOM 164 C TYR A 9 0.208 -5.601 6.895 1.00 0.00 C ATOM 165 O TYR A 9 -0.022 -4.510 7.441 1.00 0.00 O ATOM 166 CB TYR A 9 2.483 -5.396 5.904 1.00 0.00 C ATOM 167 CG TYR A 9 3.431 -6.213 5.056 1.00 0.00 C ATOM 168 CD1 TYR A 9 3.172 -6.432 3.709 1.00 0.00 C ATOM 169 CD2 TYR A 9 4.582 -6.770 5.601 1.00 0.00 C ATOM 170 CE1 TYR A 9 4.030 -7.182 2.930 1.00 0.00 C ATOM 171 CE2 TYR A 9 5.447 -7.520 4.827 1.00 0.00 C ATOM 172 CZ TYR A 9 5.166 -7.724 3.493 1.00 0.00 C ATOM 173 OH TYR A 9 6.024 -8.472 2.719 1.00 0.00 O ATOM 0 H TYR A 9 0.614 -3.804 4.805 1.00 0.00 H new ATOM 0 HA TYR A 9 0.921 -6.705 5.232 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.675 -4.337 5.734 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.687 -5.592 6.957 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.284 -6.008 3.264 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.804 -6.614 6.646 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.813 -7.343 1.885 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.338 -7.944 5.265 1.00 0.00 H new ATOM 0 HH TYR A 9 6.458 -9.152 3.276 1.00 0.00 H new ATOM 183 N LEU A 10 -0.197 -6.779 7.360 1.00 0.00 N ATOM 184 CA LEU A 10 -0.968 -6.917 8.574 1.00 0.00 C ATOM 185 C LEU A 10 -0.074 -7.372 9.718 1.00 0.00 C ATOM 186 O LEU A 10 0.884 -8.118 9.517 1.00 0.00 O ATOM 187 CB LEU A 10 -2.096 -7.933 8.372 1.00 0.00 C ATOM 188 CG LEU A 10 -3.496 -7.341 8.218 1.00 0.00 C ATOM 189 CD1 LEU A 10 -4.541 -8.445 8.200 1.00 0.00 C ATOM 190 CD2 LEU A 10 -3.781 -6.352 9.338 1.00 0.00 C ATOM 0 H LEU A 10 0.006 -7.665 6.897 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.399 -5.947 8.821 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.872 -8.526 7.486 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.101 -8.617 9.221 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.544 -6.808 7.269 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.532 -8.006 8.090 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.347 -9.116 7.364 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.494 -9.005 9.134 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.782 -5.940 9.213 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.716 -6.862 10.299 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.049 -5.545 9.305 1.00 0.00 H new ATOM 241 N GLU A 14 6.324 -9.369 8.913 1.00 0.00 N ATOM 242 CA GLU A 14 6.522 -9.005 7.513 1.00 0.00 C ATOM 243 C GLU A 14 6.096 -10.131 6.572 1.00 0.00 C ATOM 244 O GLU A 14 6.528 -10.184 5.420 1.00 0.00 O ATOM 245 CB GLU A 14 7.990 -8.645 7.267 1.00 0.00 C ATOM 246 CG GLU A 14 8.198 -7.206 6.821 1.00 0.00 C ATOM 247 CD GLU A 14 9.074 -7.097 5.589 1.00 0.00 C ATOM 248 OE1 GLU A 14 8.800 -6.223 4.741 1.00 0.00 O ATOM 249 OE2 GLU A 14 10.036 -7.887 5.472 1.00 0.00 O ATOM 0 HA GLU A 14 5.895 -8.139 7.303 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.556 -8.818 8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.397 -9.314 6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.230 -6.750 6.615 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.650 -6.639 7.635 1.00 0.00 H new ATOM 256 N GLN A 15 5.246 -11.029 7.063 1.00 0.00 N ATOM 257 CA GLN A 15 4.766 -12.147 6.255 1.00 0.00 C ATOM 258 C GLN A 15 3.254 -12.112 6.109 1.00 0.00 C ATOM 259 O GLN A 15 2.700 -12.810 5.259 1.00 0.00 O ATOM 260 CB GLN A 15 5.213 -13.480 6.863 1.00 0.00 C ATOM 261 CG GLN A 15 6.051 -14.326 5.920 1.00 0.00 C ATOM 262 CD GLN A 15 6.512 -15.623 6.556 1.00 0.00 C ATOM 263 OE1 GLN A 15 5.719 -16.352 7.153 1.00 0.00 O ATOM 264 NE2 GLN A 15 7.801 -15.918 6.432 1.00 0.00 N ATOM 0 H GLN A 15 4.876 -11.005 8.013 1.00 0.00 H new ATOM 0 HA GLN A 15 5.202 -12.052 5.261 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.787 -13.283 7.768 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.332 -14.048 7.161 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.470 -14.550 5.025 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.921 -13.753 5.600 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.423 -15.285 5.929 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.169 -16.777 6.840 1.00 0.00 H new ATOM 273 N HIS A 16 2.581 -11.277 6.896 1.00 0.00 N ATOM 274 CA HIS A 16 1.142 -11.172 6.759 1.00 0.00 C ATOM 275 C HIS A 16 0.845 -9.927 5.953 1.00 0.00 C ATOM 276 O HIS A 16 1.228 -8.818 6.329 1.00 0.00 O ATOM 277 CB HIS A 16 0.503 -11.062 8.146 1.00 0.00 C ATOM 278 CG HIS A 16 -0.993 -11.090 8.155 1.00 0.00 C ATOM 279 ND1 HIS A 16 -1.727 -10.826 9.290 1.00 0.00 N ATOM 280 CD2 HIS A 16 -1.892 -11.334 7.174 1.00 0.00 C ATOM 281 CE1 HIS A 16 -3.012 -10.903 9.010 1.00 0.00 C ATOM 282 NE2 HIS A 16 -3.143 -11.210 7.732 1.00 0.00 N ATOM 0 H HIS A 16 2.998 -10.682 7.612 1.00 0.00 H new ATOM 0 HA HIS A 16 0.737 -12.052 6.259 1.00 0.00 H new ATOM 0 HB2 HIS A 16 0.871 -11.880 8.765 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.837 -10.135 8.611 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.669 -11.580 6.146 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -3.821 -10.742 9.707 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.027 -11.335 7.239 1.00 0.00 H new ATOM 291 N PHE A 17 0.172 -10.118 4.838 1.00 0.00 N ATOM 292 CA PHE A 17 -0.172 -9.018 3.964 1.00 0.00 C ATOM 293 C PHE A 17 -1.528 -9.215 3.331 1.00 0.00 C ATOM 294 O PHE A 17 -2.012 -10.341 3.209 1.00 0.00 O ATOM 295 CB PHE A 17 0.876 -8.841 2.875 1.00 0.00 C ATOM 296 CG PHE A 17 1.256 -10.123 2.222 1.00 0.00 C ATOM 297 CD1 PHE A 17 2.371 -10.829 2.653 1.00 0.00 C ATOM 298 CD2 PHE A 17 0.495 -10.624 1.176 1.00 0.00 C ATOM 299 CE1 PHE A 17 2.729 -12.013 2.052 1.00 0.00 C ATOM 300 CE2 PHE A 17 0.850 -11.814 0.568 1.00 0.00 C ATOM 301 CZ PHE A 17 1.970 -12.510 1.005 1.00 0.00 C ATOM 0 H PHE A 17 -0.149 -11.031 4.515 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.205 -8.119 4.580 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.495 -8.154 2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.765 -8.381 3.305 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.964 -10.444 3.469 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.376 -10.084 0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.599 -12.554 2.395 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.257 -12.202 -0.247 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.249 -13.438 0.529 1.00 0.00 H new ATOM 311 N THR A 18 -2.104 -8.130 2.864 1.00 0.00 N ATOM 312 CA THR A 18 -3.366 -8.206 2.170 1.00 0.00 C ATOM 313 C THR A 18 -3.300 -7.341 0.920 1.00 0.00 C ATOM 314 O THR A 18 -3.175 -6.118 0.999 1.00 0.00 O ATOM 315 CB THR A 18 -4.525 -7.785 3.080 1.00 0.00 C ATOM 316 OG1 THR A 18 -5.762 -8.215 2.543 1.00 0.00 O ATOM 317 CG2 THR A 18 -4.613 -6.289 3.298 1.00 0.00 C ATOM 0 H THR A 18 -1.719 -7.189 2.952 1.00 0.00 H new ATOM 0 HA THR A 18 -3.553 -9.239 1.878 1.00 0.00 H new ATOM 0 HB THR A 18 -4.321 -8.259 4.040 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.338 -8.539 3.267 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.456 -6.066 3.952 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.692 -5.934 3.760 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.754 -5.789 2.340 1.00 0.00 H new ATOM 325 N GLU A 19 -3.358 -7.988 -0.235 1.00 0.00 N ATOM 326 CA GLU A 19 -3.278 -7.281 -1.502 1.00 0.00 C ATOM 327 C GLU A 19 -4.659 -6.954 -2.041 1.00 0.00 C ATOM 328 O GLU A 19 -5.629 -7.661 -1.770 1.00 0.00 O ATOM 329 CB GLU A 19 -2.487 -8.097 -2.524 1.00 0.00 C ATOM 330 CG GLU A 19 -2.766 -9.590 -2.476 1.00 0.00 C ATOM 331 CD GLU A 19 -2.176 -10.332 -3.659 1.00 0.00 C ATOM 332 OE1 GLU A 19 -2.385 -9.882 -4.805 1.00 0.00 O ATOM 333 OE2 GLU A 19 -1.507 -11.363 -3.440 1.00 0.00 O ATOM 0 H GLU A 19 -3.460 -8.999 -0.320 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.756 -6.341 -1.325 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.716 -7.727 -3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.422 -7.932 -2.359 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.358 -10.003 -1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.843 -9.754 -2.450 1.00 0.00 H new ATOM 340 N VAL A 20 -4.737 -5.865 -2.792 1.00 0.00 N ATOM 341 CA VAL A 20 -6.005 -5.424 -3.359 1.00 0.00 C ATOM 342 C VAL A 20 -5.816 -4.535 -4.586 1.00 0.00 C ATOM 343 O VAL A 20 -4.942 -3.662 -4.605 1.00 0.00 O ATOM 344 CB VAL A 20 -6.828 -4.636 -2.323 1.00 0.00 C ATOM 345 CG1 VAL A 20 -7.517 -5.582 -1.352 1.00 0.00 C ATOM 346 CG2 VAL A 20 -5.942 -3.639 -1.584 1.00 0.00 C ATOM 0 H VAL A 20 -3.940 -5.271 -3.023 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.532 -6.331 -3.655 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.601 -4.076 -2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.093 -5.005 -0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.185 -6.245 -1.902 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.767 -6.175 -0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.540 -3.091 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.144 -4.174 -1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.508 -2.939 -2.298 1.00 0.00 H new ATOM 356 N PRO A 21 -6.659 -4.731 -5.619 1.00 0.00 N ATOM 357 CA PRO A 21 -6.621 -3.938 -6.840 1.00 0.00 C ATOM 358 C PRO A 21 -7.505 -2.705 -6.721 1.00 0.00 C ATOM 359 O PRO A 21 -8.571 -2.756 -6.108 1.00 0.00 O ATOM 360 CB PRO A 21 -7.182 -4.908 -7.873 1.00 0.00 C ATOM 361 CG PRO A 21 -8.187 -5.716 -7.117 1.00 0.00 C ATOM 362 CD PRO A 21 -7.744 -5.730 -5.670 1.00 0.00 C ATOM 0 HA PRO A 21 -5.628 -3.560 -7.083 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.644 -4.378 -8.706 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.398 -5.539 -8.292 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.182 -5.281 -7.212 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.244 -6.730 -7.513 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.562 -5.466 -5.000 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.392 -6.717 -5.370 1.00 0.00 H new ATOM 370 N VAL A 22 -7.060 -1.593 -7.291 1.00 0.00 N ATOM 371 CA VAL A 22 -7.826 -0.355 -7.217 1.00 0.00 C ATOM 372 C VAL A 22 -7.614 0.526 -8.430 1.00 0.00 C ATOM 373 O VAL A 22 -6.763 0.263 -9.276 1.00 0.00 O ATOM 374 CB VAL A 22 -7.426 0.495 -5.999 1.00 0.00 C ATOM 375 CG1 VAL A 22 -8.054 -0.023 -4.715 1.00 0.00 C ATOM 376 CG2 VAL A 22 -5.909 0.575 -5.885 1.00 0.00 C ATOM 0 H VAL A 22 -6.182 -1.522 -7.805 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.866 -0.675 -7.150 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.813 1.503 -6.152 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.746 0.606 -3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.140 0.001 -4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.727 -1.048 -4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.641 1.180 -5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.499 -0.428 -5.768 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.500 1.031 -6.787 1.00 0.00 H new ATOM 386 N THR A 23 -8.368 1.612 -8.449 1.00 0.00 N ATOM 387 CA THR A 23 -8.271 2.625 -9.479 1.00 0.00 C ATOM 388 C THR A 23 -7.668 3.859 -8.829 1.00 0.00 C ATOM 389 O THR A 23 -7.549 3.907 -7.603 1.00 0.00 O ATOM 390 CB THR A 23 -9.647 2.941 -10.069 1.00 0.00 C ATOM 391 OG1 THR A 23 -10.482 3.546 -9.096 1.00 0.00 O ATOM 392 CG2 THR A 23 -10.367 1.718 -10.596 1.00 0.00 C ATOM 0 H THR A 23 -9.072 1.815 -7.740 1.00 0.00 H new ATOM 0 HA THR A 23 -7.648 2.276 -10.303 1.00 0.00 H new ATOM 0 HB THR A 23 -9.457 3.617 -10.902 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.357 3.742 -9.492 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.336 2.012 -11.000 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.771 1.256 -11.383 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.514 1.005 -9.785 1.00 0.00 H new ATOM 400 N PRO A 24 -7.271 4.879 -9.593 1.00 0.00 N ATOM 401 CA PRO A 24 -6.684 6.079 -9.008 1.00 0.00 C ATOM 402 C PRO A 24 -7.703 6.904 -8.218 1.00 0.00 C ATOM 403 O PRO A 24 -7.455 8.065 -7.893 1.00 0.00 O ATOM 404 CB PRO A 24 -6.151 6.865 -10.208 1.00 0.00 C ATOM 405 CG PRO A 24 -6.277 5.954 -11.390 1.00 0.00 C ATOM 406 CD PRO A 24 -7.355 4.961 -11.053 1.00 0.00 C ATOM 0 HA PRO A 24 -5.907 5.831 -8.285 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.723 7.781 -10.359 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.113 7.159 -10.051 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.535 6.517 -12.287 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.333 5.448 -11.592 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.336 5.301 -11.384 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.177 3.994 -11.524 1.00 0.00 H new ATOM 414 N GLU A 25 -8.845 6.292 -7.897 1.00 0.00 N ATOM 415 CA GLU A 25 -9.888 6.960 -7.131 1.00 0.00 C ATOM 416 C GLU A 25 -9.763 6.601 -5.653 1.00 0.00 C ATOM 417 O GLU A 25 -9.705 7.482 -4.795 1.00 0.00 O ATOM 418 CB GLU A 25 -11.270 6.567 -7.657 1.00 0.00 C ATOM 419 CG GLU A 25 -12.084 7.746 -8.167 1.00 0.00 C ATOM 420 CD GLU A 25 -11.980 7.919 -9.669 1.00 0.00 C ATOM 421 OE1 GLU A 25 -12.130 9.064 -10.146 1.00 0.00 O ATOM 422 OE2 GLU A 25 -11.748 6.910 -10.368 1.00 0.00 O ATOM 0 H GLU A 25 -9.067 5.332 -8.159 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.769 8.038 -7.243 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.151 5.843 -8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.825 6.070 -6.861 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.130 7.607 -7.892 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.744 8.657 -7.675 1.00 0.00 H new ATOM 429 N THR A 26 -9.708 5.301 -5.362 1.00 0.00 N ATOM 430 CA THR A 26 -9.574 4.838 -3.986 1.00 0.00 C ATOM 431 C THR A 26 -8.139 4.964 -3.516 1.00 0.00 C ATOM 432 O THR A 26 -7.202 4.730 -4.280 1.00 0.00 O ATOM 433 CB THR A 26 -10.027 3.399 -3.830 1.00 0.00 C ATOM 434 OG1 THR A 26 -9.456 2.578 -4.832 1.00 0.00 O ATOM 435 CG2 THR A 26 -11.529 3.234 -3.892 1.00 0.00 C ATOM 0 H THR A 26 -9.754 4.556 -6.058 1.00 0.00 H new ATOM 0 HA THR A 26 -10.216 5.471 -3.373 1.00 0.00 H new ATOM 0 HB THR A 26 -9.688 3.097 -2.839 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.124 1.933 -5.146 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.785 2.181 -3.774 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.992 3.812 -3.092 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.895 3.590 -4.855 1.00 0.00 H new ATOM 443 N ILE A 27 -7.967 5.322 -2.253 1.00 0.00 N ATOM 444 CA ILE A 27 -6.625 5.461 -1.697 1.00 0.00 C ATOM 445 C ILE A 27 -6.516 4.903 -0.280 1.00 0.00 C ATOM 446 O ILE A 27 -7.279 5.269 0.609 1.00 0.00 O ATOM 447 CB ILE A 27 -6.231 6.949 -1.665 1.00 0.00 C ATOM 448 CG1 ILE A 27 -7.467 7.827 -1.409 1.00 0.00 C ATOM 449 CG2 ILE A 27 -5.572 7.335 -2.975 1.00 0.00 C ATOM 450 CD1 ILE A 27 -8.273 7.414 -0.191 1.00 0.00 C ATOM 0 H ILE A 27 -8.725 5.520 -1.600 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.955 4.889 -2.339 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.523 7.109 -0.852 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.147 8.862 -1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.112 7.795 -2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.295 8.389 -2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.678 6.729 -3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.268 7.165 -3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.128 8.081 -0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.625 6.390 -0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.645 7.474 0.698 1.00 0.00 H new ATOM 462 N CYS A 28 -5.525 4.043 -0.069 1.00 0.00 N ATOM 463 CA CYS A 28 -5.261 3.454 1.247 1.00 0.00 C ATOM 464 C CYS A 28 -6.557 3.122 1.992 1.00 0.00 C ATOM 465 O CYS A 28 -6.565 3.013 3.220 1.00 0.00 O ATOM 466 CB CYS A 28 -4.387 4.379 2.084 1.00 0.00 C ATOM 467 SG CYS A 28 -3.597 3.577 3.500 1.00 0.00 S ATOM 0 H CYS A 28 -4.883 3.733 -0.799 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.726 2.518 1.084 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.614 4.806 1.445 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.996 5.208 2.444 1.00 0.00 H new ATOM 0 HG CYS A 28 -3.182 4.482 4.335 1.00 0.00 H new ATOM 473 N ARG A 29 -7.637 2.935 1.246 1.00 0.00 N ATOM 474 CA ARG A 29 -8.919 2.596 1.837 1.00 0.00 C ATOM 475 C ARG A 29 -8.951 1.106 2.018 1.00 0.00 C ATOM 476 O ARG A 29 -9.326 0.589 3.067 1.00 0.00 O ATOM 477 CB ARG A 29 -10.073 3.051 0.938 1.00 0.00 C ATOM 478 CG ARG A 29 -10.388 4.533 1.056 1.00 0.00 C ATOM 479 CD ARG A 29 -11.191 5.027 -0.136 1.00 0.00 C ATOM 480 NE ARG A 29 -11.658 6.398 0.050 1.00 0.00 N ATOM 481 CZ ARG A 29 -12.289 7.100 -0.890 1.00 0.00 C ATOM 482 NH1 ARG A 29 -12.529 6.562 -2.080 1.00 0.00 N ATOM 483 NH2 ARG A 29 -12.680 8.341 -0.639 1.00 0.00 N ATOM 0 H ARG A 29 -7.648 3.013 0.229 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.038 3.103 2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.827 2.822 -0.099 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.965 2.477 1.188 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.947 4.716 1.974 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.459 5.099 1.131 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.577 4.972 -1.035 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -12.047 4.371 -0.294 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.491 6.844 0.952 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.230 5.607 -2.278 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.013 7.104 -2.796 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.498 8.758 0.274 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -13.163 8.879 -1.358 1.00 0.00 H new ATOM 497 N ASP A 30 -8.488 0.430 0.985 1.00 0.00 N ATOM 498 CA ASP A 30 -8.387 -1.013 1.012 1.00 0.00 C ATOM 499 C ASP A 30 -7.195 -1.400 1.877 1.00 0.00 C ATOM 500 O ASP A 30 -7.204 -2.432 2.547 1.00 0.00 O ATOM 501 CB ASP A 30 -8.221 -1.571 -0.402 1.00 0.00 C ATOM 502 CG ASP A 30 -9.542 -1.696 -1.134 1.00 0.00 C ATOM 503 OD1 ASP A 30 -9.546 -1.575 -2.377 1.00 0.00 O ATOM 504 OD2 ASP A 30 -10.574 -1.916 -0.465 1.00 0.00 O ATOM 0 H ASP A 30 -8.175 0.860 0.115 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.301 -1.434 1.430 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.555 -0.922 -0.970 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.744 -2.550 -0.349 1.00 0.00 H new ATOM 509 N VAL A 31 -6.170 -0.542 1.867 1.00 0.00 N ATOM 510 CA VAL A 31 -4.973 -0.776 2.659 1.00 0.00 C ATOM 511 C VAL A 31 -5.314 -0.771 4.146 1.00 0.00 C ATOM 512 O VAL A 31 -5.004 -1.722 4.865 1.00 0.00 O ATOM 513 CB VAL A 31 -3.901 0.311 2.363 1.00 0.00 C ATOM 514 CG1 VAL A 31 -2.683 0.187 3.271 1.00 0.00 C ATOM 515 CG2 VAL A 31 -3.470 0.261 0.906 1.00 0.00 C ATOM 0 H VAL A 31 -6.151 0.317 1.318 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.569 -1.752 2.388 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.367 1.275 2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.964 0.968 3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.992 0.293 4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.221 -0.790 3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.720 1.030 0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.047 -0.719 0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.334 0.436 0.265 1.00 0.00 H new ATOM 525 N VAL A 32 -5.975 0.290 4.601 1.00 0.00 N ATOM 526 CA VAL A 32 -6.369 0.389 6.001 1.00 0.00 C ATOM 527 C VAL A 32 -7.539 -0.532 6.328 1.00 0.00 C ATOM 528 O VAL A 32 -7.494 -1.283 7.301 1.00 0.00 O ATOM 529 CB VAL A 32 -6.732 1.832 6.388 1.00 0.00 C ATOM 530 CG1 VAL A 32 -7.051 1.911 7.873 1.00 0.00 C ATOM 531 CG2 VAL A 32 -5.596 2.779 6.025 1.00 0.00 C ATOM 0 H VAL A 32 -6.247 1.087 4.025 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.504 0.074 6.584 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.618 2.136 5.830 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.307 2.937 8.136 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.894 1.258 8.099 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.182 1.595 8.449 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.867 3.797 6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.692 2.485 6.559 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.414 2.734 4.951 1.00 0.00 H new ATOM 541 N ASP A 33 -8.591 -0.459 5.518 1.00 0.00 N ATOM 542 CA ASP A 33 -9.784 -1.275 5.732 1.00 0.00 C ATOM 543 C ASP A 33 -9.439 -2.751 5.909 1.00 0.00 C ATOM 544 O ASP A 33 -10.049 -3.442 6.725 1.00 0.00 O ATOM 545 CB ASP A 33 -10.758 -1.112 4.564 1.00 0.00 C ATOM 546 CG ASP A 33 -12.064 -1.848 4.791 1.00 0.00 C ATOM 547 OD1 ASP A 33 -13.130 -1.200 4.735 1.00 0.00 O ATOM 548 OD2 ASP A 33 -12.021 -3.074 5.025 1.00 0.00 O ATOM 0 H ASP A 33 -8.643 0.157 4.707 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.254 -0.925 6.651 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.963 -0.052 4.411 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.291 -1.481 3.651 1.00 0.00 H new ATOM 553 N LEU A 34 -8.472 -3.236 5.139 1.00 0.00 N ATOM 554 CA LEU A 34 -8.078 -4.637 5.223 1.00 0.00 C ATOM 555 C LEU A 34 -7.048 -4.873 6.324 1.00 0.00 C ATOM 556 O LEU A 34 -7.057 -5.924 6.965 1.00 0.00 O ATOM 557 CB LEU A 34 -7.539 -5.126 3.880 1.00 0.00 C ATOM 558 CG LEU A 34 -8.615 -5.458 2.843 1.00 0.00 C ATOM 559 CD1 LEU A 34 -8.340 -4.742 1.529 1.00 0.00 C ATOM 560 CD2 LEU A 34 -8.705 -6.962 2.624 1.00 0.00 C ATOM 0 H LEU A 34 -7.951 -2.686 4.456 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.970 -5.210 5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.880 -4.362 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.930 -6.014 4.050 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.574 -5.109 3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.118 -4.993 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.334 -3.665 1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.371 -5.054 1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.476 -7.176 1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.745 -7.336 2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.959 -7.452 3.564 1.00 0.00 H new ATOM 572 N CYS A 35 -6.158 -3.907 6.546 1.00 0.00 N ATOM 573 CA CYS A 35 -5.139 -4.063 7.580 1.00 0.00 C ATOM 574 C CYS A 35 -5.567 -3.435 8.899 1.00 0.00 C ATOM 575 O CYS A 35 -4.736 -2.986 9.689 1.00 0.00 O ATOM 576 CB CYS A 35 -3.800 -3.483 7.125 1.00 0.00 C ATOM 577 SG CYS A 35 -2.826 -4.604 6.095 1.00 0.00 S ATOM 0 H CYS A 35 -6.121 -3.025 6.035 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.016 -5.133 7.746 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.984 -2.563 6.570 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.215 -3.213 8.004 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.565 -5.608 5.727 1.00 0.00 H new ATOM 583 N LYS A 36 -6.866 -3.434 9.136 1.00 0.00 N ATOM 584 CA LYS A 36 -7.429 -2.892 10.368 1.00 0.00 C ATOM 585 C LYS A 36 -8.015 -4.013 11.222 1.00 0.00 C ATOM 586 O LYS A 36 -7.926 -5.189 10.866 1.00 0.00 O ATOM 587 CB LYS A 36 -8.511 -1.855 10.060 1.00 0.00 C ATOM 588 CG LYS A 36 -8.173 -0.460 10.558 1.00 0.00 C ATOM 589 CD LYS A 36 -9.419 0.401 10.688 1.00 0.00 C ATOM 590 CE LYS A 36 -10.115 0.577 9.350 1.00 0.00 C ATOM 591 NZ LYS A 36 -11.597 0.566 9.488 1.00 0.00 N ATOM 0 H LYS A 36 -7.560 -3.805 8.487 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.626 -2.405 10.921 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.672 -1.818 8.983 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.450 -2.176 10.512 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.674 -0.528 11.525 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.472 0.013 9.870 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.106 -0.057 11.400 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.148 1.377 11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.800 1.517 8.898 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.808 -0.221 8.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.034 0.689 8.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.901 -0.341 9.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.893 1.343 10.113 1.00 0.00 H new ATOM 679 N CYS A 43 -4.445 6.788 11.304 1.00 0.00 N ATOM 680 CA CYS A 43 -3.683 5.666 10.767 1.00 0.00 C ATOM 681 C CYS A 43 -3.041 6.037 9.435 1.00 0.00 C ATOM 682 O CYS A 43 -3.556 6.879 8.700 1.00 0.00 O ATOM 683 CB CYS A 43 -4.589 4.446 10.588 1.00 0.00 C ATOM 684 SG CYS A 43 -3.704 2.925 10.179 1.00 0.00 S ATOM 0 HA CYS A 43 -2.893 5.421 11.477 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -5.155 4.289 11.506 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -5.312 4.656 9.800 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.580 2.888 10.831 1.00 0.00 H new ATOM 690 N HIS A 44 -1.911 5.406 9.131 1.00 0.00 N ATOM 691 CA HIS A 44 -1.201 5.675 7.888 1.00 0.00 C ATOM 692 C HIS A 44 -0.587 4.396 7.320 1.00 0.00 C ATOM 693 O HIS A 44 -0.365 3.420 8.045 1.00 0.00 O ATOM 694 CB HIS A 44 -0.127 6.754 8.109 1.00 0.00 C ATOM 695 CG HIS A 44 1.282 6.242 8.130 1.00 0.00 C ATOM 696 ND1 HIS A 44 2.171 6.052 7.124 1.00 0.00 N flip ATOM 697 CD2 HIS A 44 1.931 5.863 9.286 1.00 0.00 C flip ATOM 698 CE1 HIS A 44 3.325 5.568 7.687 1.00 0.00 C flip ATOM 699 NE2 HIS A 44 3.156 5.464 8.992 1.00 0.00 N flip ATOM 0 H HIS A 44 -1.469 4.707 9.728 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.917 6.049 7.157 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.215 7.502 7.321 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.329 7.260 9.053 1.00 0.00 H new ATOM 0 HD1 HIS A 44 2.012 6.235 6.133 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.504 5.888 10.278 1.00 0.00 H new ATOM 0 HE1 HIS A 44 4.226 5.313 7.149 1.00 0.00 H new ATOM 708 N LEU A 45 -0.316 4.410 6.017 1.00 0.00 N ATOM 709 CA LEU A 45 0.270 3.261 5.349 1.00 0.00 C ATOM 710 C LEU A 45 1.729 3.559 5.016 1.00 0.00 C ATOM 711 O LEU A 45 2.067 4.687 4.685 1.00 0.00 O ATOM 712 CB LEU A 45 -0.544 2.927 4.091 1.00 0.00 C ATOM 713 CG LEU A 45 0.190 2.151 2.996 1.00 0.00 C ATOM 714 CD1 LEU A 45 0.593 0.777 3.495 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.677 2.033 1.749 1.00 0.00 C ATOM 0 H LEU A 45 -0.495 5.207 5.406 1.00 0.00 H new ATOM 0 HA LEU A 45 0.245 2.390 6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.418 2.350 4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.910 3.860 3.663 1.00 0.00 H new ATOM 0 HG LEU A 45 1.094 2.701 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.114 0.240 2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.253 0.882 4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.298 0.220 3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.137 1.478 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.600 1.508 1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.915 3.029 1.376 1.00 0.00 H new ATOM 727 N ALA A 46 2.596 2.559 5.132 1.00 0.00 N ATOM 728 CA ALA A 46 4.021 2.753 4.866 1.00 0.00 C ATOM 729 C ALA A 46 4.463 2.065 3.577 1.00 0.00 C ATOM 730 O ALA A 46 3.861 1.077 3.153 1.00 0.00 O ATOM 731 CB ALA A 46 4.846 2.250 6.040 1.00 0.00 C ATOM 0 H ALA A 46 2.341 1.610 5.407 1.00 0.00 H new ATOM 0 HA ALA A 46 4.187 3.823 4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.905 2.399 5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.572 2.801 6.940 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.653 1.188 6.192 1.00 0.00 H new ATOM 737 N GLU A 47 5.524 2.596 2.962 1.00 0.00 N ATOM 738 CA GLU A 47 6.057 2.027 1.727 1.00 0.00 C ATOM 739 C GLU A 47 7.553 1.732 1.866 1.00 0.00 C ATOM 740 O GLU A 47 8.370 2.646 1.942 1.00 0.00 O ATOM 741 CB GLU A 47 5.834 2.986 0.557 1.00 0.00 C ATOM 742 CG GLU A 47 5.955 4.460 0.915 1.00 0.00 C ATOM 743 CD GLU A 47 5.185 5.352 -0.040 1.00 0.00 C ATOM 744 OE1 GLU A 47 5.234 5.096 -1.261 1.00 0.00 O ATOM 745 OE2 GLU A 47 4.532 6.305 0.435 1.00 0.00 O ATOM 0 H GLU A 47 6.027 3.416 3.300 1.00 0.00 H new ATOM 0 HA GLU A 47 5.529 1.093 1.533 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.555 2.756 -0.227 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.843 2.807 0.141 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.588 4.616 1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.006 4.748 0.909 1.00 0.00 H new ATOM 752 N VAL A 48 7.901 0.449 1.876 1.00 0.00 N ATOM 753 CA VAL A 48 9.296 0.026 1.982 1.00 0.00 C ATOM 754 C VAL A 48 9.692 -0.878 0.825 1.00 0.00 C ATOM 755 O VAL A 48 9.040 -1.895 0.581 1.00 0.00 O ATOM 756 CB VAL A 48 9.594 -0.699 3.311 1.00 0.00 C ATOM 757 CG1 VAL A 48 11.098 -0.820 3.523 1.00 0.00 C ATOM 758 CG2 VAL A 48 8.940 0.025 4.482 1.00 0.00 C ATOM 0 H VAL A 48 7.234 -0.320 1.812 1.00 0.00 H new ATOM 0 HA VAL A 48 9.887 0.941 1.949 1.00 0.00 H new ATOM 0 HB VAL A 48 9.171 -1.702 3.258 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.293 -1.334 4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.537 -1.388 2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.542 0.175 3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.164 -0.505 5.408 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.327 1.042 4.543 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.861 0.056 4.334 1.00 0.00 H new ATOM 768 N TRP A 49 10.762 -0.529 0.122 1.00 0.00 N ATOM 769 CA TRP A 49 11.217 -1.359 -0.983 1.00 0.00 C ATOM 770 C TRP A 49 12.740 -1.346 -1.115 1.00 0.00 C ATOM 771 O TRP A 49 13.349 -0.289 -1.287 1.00 0.00 O ATOM 772 CB TRP A 49 10.525 -0.939 -2.282 1.00 0.00 C ATOM 773 CG TRP A 49 11.433 -0.479 -3.366 1.00 0.00 C ATOM 774 CD1 TRP A 49 12.173 -1.242 -4.217 1.00 0.00 C ATOM 775 CD2 TRP A 49 11.674 0.866 -3.711 1.00 0.00 C ATOM 776 NE1 TRP A 49 12.867 -0.431 -5.082 1.00 0.00 N ATOM 777 CE2 TRP A 49 12.576 0.878 -4.783 1.00 0.00 C ATOM 778 CE3 TRP A 49 11.200 2.058 -3.199 1.00 0.00 C ATOM 779 CZ2 TRP A 49 13.021 2.064 -5.360 1.00 0.00 C ATOM 780 CZ3 TRP A 49 11.634 3.243 -3.765 1.00 0.00 C ATOM 781 CH2 TRP A 49 12.540 3.239 -4.837 1.00 0.00 C ATOM 0 H TRP A 49 11.321 0.307 0.293 1.00 0.00 H new ATOM 0 HA TRP A 49 10.937 -2.391 -0.771 1.00 0.00 H new ATOM 0 HB2 TRP A 49 9.942 -1.782 -2.653 1.00 0.00 H new ATOM 0 HB3 TRP A 49 9.820 -0.138 -2.057 1.00 0.00 H new ATOM 0 HD1 TRP A 49 12.209 -2.321 -4.213 1.00 0.00 H new ATOM 0 HE1 TRP A 49 13.493 -0.748 -5.822 1.00 0.00 H new ATOM 0 HE3 TRP A 49 10.504 2.065 -2.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 13.717 2.060 -6.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 11.271 4.183 -3.377 1.00 0.00 H new ATOM 0 HH2 TRP A 49 12.865 4.179 -5.259 1.00 0.00 H new ATOM 792 N CYS A 50 13.344 -2.530 -1.046 1.00 0.00 N ATOM 793 CA CYS A 50 14.793 -2.671 -1.167 1.00 0.00 C ATOM 794 C CYS A 50 15.532 -1.635 -0.321 1.00 0.00 C ATOM 795 O CYS A 50 16.454 -0.973 -0.798 1.00 0.00 O ATOM 796 CB CYS A 50 15.212 -2.544 -2.633 1.00 0.00 C ATOM 797 SG CYS A 50 16.483 -3.726 -3.143 1.00 0.00 S ATOM 0 H CYS A 50 12.849 -3.411 -0.906 1.00 0.00 H new ATOM 0 HA CYS A 50 15.063 -3.660 -0.796 1.00 0.00 H new ATOM 0 HB2 CYS A 50 14.333 -2.677 -3.264 1.00 0.00 H new ATOM 0 HB3 CYS A 50 15.580 -1.533 -2.808 1.00 0.00 H new ATOM 0 HG CYS A 50 16.769 -3.541 -4.398 1.00 0.00 H new ATOM 803 N GLY A 51 15.122 -1.500 0.936 1.00 0.00 N ATOM 804 CA GLY A 51 15.760 -0.545 1.822 1.00 0.00 C ATOM 805 C GLY A 51 15.159 0.845 1.721 1.00 0.00 C ATOM 806 O GLY A 51 15.457 1.715 2.540 1.00 0.00 O ATOM 0 H GLY A 51 14.361 -2.034 1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.676 -0.898 2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.823 -0.494 1.588 1.00 0.00 H new ATOM 810 N SER A 52 14.309 1.058 0.720 1.00 0.00 N ATOM 811 CA SER A 52 13.669 2.353 0.528 1.00 0.00 C ATOM 812 C SER A 52 12.357 2.417 1.296 1.00 0.00 C ATOM 813 O SER A 52 11.323 1.967 0.806 1.00 0.00 O ATOM 814 CB SER A 52 13.405 2.602 -0.959 1.00 0.00 C ATOM 815 OG SER A 52 14.359 1.932 -1.766 1.00 0.00 O ATOM 0 H SER A 52 14.049 0.352 0.032 1.00 0.00 H new ATOM 0 HA SER A 52 14.340 3.124 0.906 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.402 2.260 -1.216 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.439 3.672 -1.163 1.00 0.00 H new ATOM 0 HG SER A 52 13.983 1.083 -2.081 1.00 0.00 H new ATOM 821 N GLU A 53 12.405 2.977 2.498 1.00 0.00 N ATOM 822 CA GLU A 53 11.214 3.093 3.329 1.00 0.00 C ATOM 823 C GLU A 53 10.744 4.544 3.411 1.00 0.00 C ATOM 824 O GLU A 53 11.537 5.450 3.664 1.00 0.00 O ATOM 825 CB GLU A 53 11.494 2.556 4.734 1.00 0.00 C ATOM 826 CG GLU A 53 12.690 3.209 5.407 1.00 0.00 C ATOM 827 CD GLU A 53 12.678 3.035 6.912 1.00 0.00 C ATOM 828 OE1 GLU A 53 11.604 3.217 7.523 1.00 0.00 O ATOM 829 OE2 GLU A 53 13.744 2.717 7.481 1.00 0.00 O ATOM 0 H GLU A 53 13.253 3.357 2.918 1.00 0.00 H new ATOM 0 HA GLU A 53 10.423 2.500 2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.611 2.707 5.355 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.662 1.481 4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.608 2.782 5.003 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.701 4.272 5.168 1.00 0.00 H new ATOM 836 N ARG A 54 9.451 4.752 3.194 1.00 0.00 N ATOM 837 CA ARG A 54 8.867 6.087 3.241 1.00 0.00 C ATOM 838 C ARG A 54 7.431 6.032 3.759 1.00 0.00 C ATOM 839 O ARG A 54 6.753 5.017 3.616 1.00 0.00 O ATOM 840 CB ARG A 54 8.895 6.730 1.852 1.00 0.00 C ATOM 841 CG ARG A 54 10.160 7.528 1.576 1.00 0.00 C ATOM 842 CD ARG A 54 11.160 6.725 0.760 1.00 0.00 C ATOM 843 NE ARG A 54 10.985 6.928 -0.676 1.00 0.00 N ATOM 844 CZ ARG A 54 11.917 6.649 -1.584 1.00 0.00 C ATOM 845 NH1 ARG A 54 13.091 6.154 -1.210 1.00 0.00 N ATOM 846 NH2 ARG A 54 11.675 6.866 -2.870 1.00 0.00 N ATOM 0 H ARG A 54 8.784 4.010 2.983 1.00 0.00 H new ATOM 0 HA ARG A 54 9.461 6.693 3.925 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.796 5.950 1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.031 7.386 1.747 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.905 8.443 1.042 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.616 7.827 2.520 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.173 7.010 1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.050 5.666 0.992 1.00 0.00 H new ATOM 0 HE ARG A 54 10.096 7.306 -1.002 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.282 5.986 -0.222 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.802 5.942 -1.910 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.775 7.247 -3.162 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.389 6.652 -3.566 1.00 0.00 H new ATOM 860 N PRO A 55 6.948 7.126 4.372 1.00 0.00 N ATOM 861 CA PRO A 55 5.587 7.194 4.908 1.00 0.00 C ATOM 862 C PRO A 55 4.551 7.480 3.824 1.00 0.00 C ATOM 863 O PRO A 55 4.653 8.473 3.105 1.00 0.00 O ATOM 864 CB PRO A 55 5.669 8.359 5.889 1.00 0.00 C ATOM 865 CG PRO A 55 6.696 9.267 5.303 1.00 0.00 C ATOM 866 CD PRO A 55 7.690 8.383 4.592 1.00 0.00 C ATOM 0 HA PRO A 55 5.270 6.253 5.358 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.707 8.861 5.991 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.959 8.021 6.884 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.240 9.974 4.610 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.185 9.854 6.081 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.017 8.825 3.651 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.583 8.220 5.195 1.00 0.00 H new ATOM 874 N VAL A 56 3.555 6.605 3.709 1.00 0.00 N ATOM 875 CA VAL A 56 2.505 6.772 2.709 1.00 0.00 C ATOM 876 C VAL A 56 1.205 7.269 3.343 1.00 0.00 C ATOM 877 O VAL A 56 0.721 6.719 4.344 1.00 0.00 O ATOM 878 CB VAL A 56 2.214 5.472 1.899 1.00 0.00 C ATOM 879 CG1 VAL A 56 3.159 4.329 2.272 1.00 0.00 C ATOM 880 CG2 VAL A 56 0.752 5.048 2.058 1.00 0.00 C ATOM 0 H VAL A 56 3.453 5.776 4.294 1.00 0.00 H new ATOM 0 HA VAL A 56 2.886 7.520 2.013 1.00 0.00 H new ATOM 0 HB VAL A 56 2.396 5.703 0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.915 3.447 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.188 4.627 2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.049 4.097 3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.572 4.139 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.540 4.861 3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.101 5.842 1.693 1.00 0.00 H new ATOM 890 N ALA A 57 0.639 8.298 2.728 1.00 0.00 N ATOM 891 CA ALA A 57 -0.607 8.886 3.187 1.00 0.00 C ATOM 892 C ALA A 57 -1.795 8.041 2.754 1.00 0.00 C ATOM 893 O ALA A 57 -1.782 7.433 1.681 1.00 0.00 O ATOM 894 CB ALA A 57 -0.739 10.291 2.640 1.00 0.00 C ATOM 0 H ALA A 57 1.031 8.746 1.900 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.595 8.922 4.276 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.675 10.730 2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.097 10.897 2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.734 10.259 1.550 1.00 0.00 H new ATOM 900 N ASP A 58 -2.820 7.998 3.593 1.00 0.00 N ATOM 901 CA ASP A 58 -4.005 7.212 3.293 1.00 0.00 C ATOM 902 C ASP A 58 -4.714 7.694 2.030 1.00 0.00 C ATOM 903 O ASP A 58 -5.599 7.014 1.514 1.00 0.00 O ATOM 904 CB ASP A 58 -4.983 7.231 4.466 1.00 0.00 C ATOM 905 CG ASP A 58 -4.303 6.969 5.795 1.00 0.00 C ATOM 906 OD1 ASP A 58 -4.678 5.988 6.471 1.00 0.00 O ATOM 907 OD2 ASP A 58 -3.394 7.744 6.160 1.00 0.00 O ATOM 0 H ASP A 58 -2.854 8.496 4.482 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.665 6.191 3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.483 8.199 4.502 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.755 6.479 4.303 1.00 0.00 H new ATOM 912 N ASN A 59 -4.345 8.872 1.538 1.00 0.00 N ATOM 913 CA ASN A 59 -4.983 9.416 0.346 1.00 0.00 C ATOM 914 C ASN A 59 -4.064 9.365 -0.875 1.00 0.00 C ATOM 915 O ASN A 59 -4.259 10.113 -1.832 1.00 0.00 O ATOM 916 CB ASN A 59 -5.429 10.858 0.597 1.00 0.00 C ATOM 917 CG ASN A 59 -4.315 11.719 1.159 1.00 0.00 C ATOM 918 OD1 ASN A 59 -3.800 11.457 2.247 1.00 0.00 O ATOM 919 ND2 ASN A 59 -3.936 12.754 0.418 1.00 0.00 N ATOM 0 H ASN A 59 -3.617 9.462 1.941 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.852 8.793 0.133 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.785 11.293 -0.337 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.270 10.860 1.290 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.191 13.369 0.744 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.390 12.934 -0.477 1.00 0.00 H new ATOM 926 N GLU A 60 -3.067 8.483 -0.849 1.00 0.00 N ATOM 927 CA GLU A 60 -2.142 8.357 -1.973 1.00 0.00 C ATOM 928 C GLU A 60 -2.628 7.304 -2.972 1.00 0.00 C ATOM 929 O GLU A 60 -2.714 6.120 -2.646 1.00 0.00 O ATOM 930 CB GLU A 60 -0.743 8.001 -1.470 1.00 0.00 C ATOM 931 CG GLU A 60 -0.072 9.123 -0.697 1.00 0.00 C ATOM 932 CD GLU A 60 0.714 10.060 -1.593 1.00 0.00 C ATOM 933 OE1 GLU A 60 1.961 10.020 -1.547 1.00 0.00 O ATOM 934 OE2 GLU A 60 0.081 10.835 -2.342 1.00 0.00 O ATOM 0 H GLU A 60 -2.880 7.851 -0.071 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.101 9.318 -2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.809 7.120 -0.832 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.117 7.732 -2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.830 9.692 -0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.596 8.695 0.050 1.00 0.00 H new ATOM 941 N ARG A 61 -2.944 7.747 -4.192 1.00 0.00 N ATOM 942 CA ARG A 61 -3.424 6.849 -5.247 1.00 0.00 C ATOM 943 C ARG A 61 -2.520 5.629 -5.375 1.00 0.00 C ATOM 944 O ARG A 61 -1.319 5.765 -5.592 1.00 0.00 O ATOM 945 CB ARG A 61 -3.496 7.593 -6.581 1.00 0.00 C ATOM 946 CG ARG A 61 -4.905 8.011 -6.967 1.00 0.00 C ATOM 947 CD ARG A 61 -5.292 9.335 -6.328 1.00 0.00 C ATOM 948 NE ARG A 61 -5.679 10.330 -7.325 1.00 0.00 N ATOM 949 CZ ARG A 61 -5.734 11.638 -7.085 1.00 0.00 C ATOM 950 NH1 ARG A 61 -5.427 12.113 -5.884 1.00 0.00 N ATOM 951 NH2 ARG A 61 -6.096 12.474 -8.048 1.00 0.00 N ATOM 0 H ARG A 61 -2.876 8.725 -4.474 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.423 6.508 -4.976 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.864 8.480 -6.528 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.087 6.956 -7.365 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.976 8.096 -8.051 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.611 7.239 -6.661 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.118 9.176 -5.635 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.454 9.714 -5.743 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.921 10.003 -8.260 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.147 11.475 -5.139 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.471 13.116 -5.706 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.332 12.115 -8.973 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.138 13.476 -7.864 1.00 0.00 H new ATOM 965 N MET A 62 -3.109 4.438 -5.241 1.00 0.00 N ATOM 966 CA MET A 62 -2.351 3.184 -5.333 1.00 0.00 C ATOM 967 C MET A 62 -1.217 3.302 -6.337 1.00 0.00 C ATOM 968 O MET A 62 -0.061 3.484 -5.954 1.00 0.00 O ATOM 969 CB MET A 62 -3.267 2.018 -5.685 1.00 0.00 C ATOM 970 CG MET A 62 -3.239 0.913 -4.639 1.00 0.00 C ATOM 971 SD MET A 62 -4.186 1.316 -3.155 1.00 0.00 S ATOM 972 CE MET A 62 -3.057 2.419 -2.308 1.00 0.00 C ATOM 0 H MET A 62 -4.107 4.314 -5.069 1.00 0.00 H new ATOM 0 HA MET A 62 -1.913 2.987 -4.354 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.288 2.384 -5.794 1.00 0.00 H new ATOM 0 HB3 MET A 62 -2.971 1.607 -6.650 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.634 -0.003 -5.077 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.205 0.712 -4.359 1.00 0.00 H new ATOM 0 HE1 MET A 62 -3.168 2.296 -1.231 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.033 2.183 -2.596 1.00 0.00 H new ATOM 0 HE3 MET A 62 -3.282 3.450 -2.581 1.00 0.00 H new ATOM 982 N PHE A 63 -1.545 3.223 -7.620 1.00 0.00 N ATOM 983 CA PHE A 63 -0.514 3.348 -8.654 1.00 0.00 C ATOM 984 C PHE A 63 0.350 4.581 -8.405 1.00 0.00 C ATOM 985 O PHE A 63 1.567 4.535 -8.570 1.00 0.00 O ATOM 986 CB PHE A 63 -1.102 3.458 -10.067 1.00 0.00 C ATOM 987 CG PHE A 63 -2.465 2.864 -10.254 1.00 0.00 C ATOM 988 CD1 PHE A 63 -2.793 1.634 -9.710 1.00 0.00 C ATOM 989 CD2 PHE A 63 -3.414 3.538 -11.002 1.00 0.00 C ATOM 990 CE1 PHE A 63 -4.045 1.088 -9.912 1.00 0.00 C ATOM 991 CE2 PHE A 63 -4.665 3.000 -11.205 1.00 0.00 C ATOM 992 CZ PHE A 63 -4.983 1.774 -10.662 1.00 0.00 C ATOM 0 H PHE A 63 -2.492 3.077 -7.969 1.00 0.00 H new ATOM 0 HA PHE A 63 0.083 2.438 -8.594 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.145 4.512 -10.341 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.417 2.975 -10.764 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.063 1.097 -9.122 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.170 4.498 -11.432 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.291 0.127 -9.485 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.397 3.538 -11.789 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.963 1.350 -10.822 1.00 0.00 H new ATOM 1002 N ASP A 64 -0.281 5.683 -7.994 1.00 0.00 N ATOM 1003 CA ASP A 64 0.448 6.918 -7.728 1.00 0.00 C ATOM 1004 C ASP A 64 1.565 6.652 -6.740 1.00 0.00 C ATOM 1005 O ASP A 64 2.701 7.089 -6.925 1.00 0.00 O ATOM 1006 CB ASP A 64 -0.490 7.995 -7.187 1.00 0.00 C ATOM 1007 CG ASP A 64 0.089 9.389 -7.328 1.00 0.00 C ATOM 1008 OD1 ASP A 64 0.018 10.164 -6.351 1.00 0.00 O ATOM 1009 OD2 ASP A 64 0.614 9.706 -8.416 1.00 0.00 O ATOM 0 H ASP A 64 -1.288 5.743 -7.840 1.00 0.00 H new ATOM 0 HA ASP A 64 0.876 7.278 -8.664 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.441 7.944 -7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.700 7.796 -6.136 1.00 0.00 H new ATOM 1014 N VAL A 65 1.235 5.896 -5.706 1.00 0.00 N ATOM 1015 CA VAL A 65 2.210 5.526 -4.701 1.00 0.00 C ATOM 1016 C VAL A 65 3.212 4.563 -5.314 1.00 0.00 C ATOM 1017 O VAL A 65 4.382 4.544 -4.945 1.00 0.00 O ATOM 1018 CB VAL A 65 1.549 4.844 -3.483 1.00 0.00 C ATOM 1019 CG1 VAL A 65 2.476 4.883 -2.279 1.00 0.00 C ATOM 1020 CG2 VAL A 65 0.206 5.486 -3.154 1.00 0.00 C ATOM 0 H VAL A 65 0.298 5.528 -5.543 1.00 0.00 H new ATOM 0 HA VAL A 65 2.700 6.437 -4.358 1.00 0.00 H new ATOM 0 HB VAL A 65 1.365 3.801 -3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.992 4.398 -1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.403 4.360 -2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.699 5.919 -2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.235 4.985 -2.292 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.354 6.541 -2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.462 5.392 -4.010 1.00 0.00 H new ATOM 1030 N LEU A 66 2.724 3.766 -6.264 1.00 0.00 N ATOM 1031 CA LEU A 66 3.540 2.779 -6.955 1.00 0.00 C ATOM 1032 C LEU A 66 4.442 3.426 -8.007 1.00 0.00 C ATOM 1033 O LEU A 66 5.338 2.777 -8.548 1.00 0.00 O ATOM 1034 CB LEU A 66 2.623 1.738 -7.603 1.00 0.00 C ATOM 1035 CG LEU A 66 2.829 0.303 -7.118 1.00 0.00 C ATOM 1036 CD1 LEU A 66 2.164 0.098 -5.764 1.00 0.00 C ATOM 1037 CD2 LEU A 66 2.287 -0.687 -8.138 1.00 0.00 C ATOM 0 H LEU A 66 1.752 3.789 -6.573 1.00 0.00 H new ATOM 0 HA LEU A 66 4.192 2.297 -6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.587 2.023 -7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.773 1.766 -8.682 1.00 0.00 H new ATOM 0 HG LEU A 66 3.899 0.126 -7.005 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.320 -0.929 -5.434 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.600 0.783 -5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.095 0.292 -5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.442 -1.704 -7.776 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.221 -0.512 -8.284 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.809 -0.555 -9.086 1.00 0.00 H new ATOM 1049 N GLN A 67 4.197 4.700 -8.302 1.00 0.00 N ATOM 1050 CA GLN A 67 4.984 5.419 -9.297 1.00 0.00 C ATOM 1051 C GLN A 67 6.195 6.102 -8.666 1.00 0.00 C ATOM 1052 O GLN A 67 7.197 6.346 -9.338 1.00 0.00 O ATOM 1053 CB GLN A 67 4.114 6.460 -10.004 1.00 0.00 C ATOM 1054 CG GLN A 67 3.415 5.928 -11.245 1.00 0.00 C ATOM 1055 CD GLN A 67 2.328 6.858 -11.745 1.00 0.00 C ATOM 1056 OE1 GLN A 67 1.391 7.184 -11.017 1.00 0.00 O ATOM 1057 NE2 GLN A 67 2.447 7.289 -12.995 1.00 0.00 N ATOM 0 H GLN A 67 3.460 5.254 -7.866 1.00 0.00 H new ATOM 0 HA GLN A 67 5.345 4.691 -10.023 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.364 6.829 -9.305 1.00 0.00 H new ATOM 0 HB3 GLN A 67 4.735 7.311 -10.284 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.150 5.777 -12.035 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.980 4.953 -11.023 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.241 6.993 -13.563 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.745 7.916 -13.387 1.00 0.00 H new ATOM 1066 N ARG A 68 6.100 6.418 -7.377 1.00 0.00 N ATOM 1067 CA ARG A 68 7.194 7.080 -6.677 1.00 0.00 C ATOM 1068 C ARG A 68 8.370 6.130 -6.467 1.00 0.00 C ATOM 1069 O ARG A 68 9.524 6.558 -6.426 1.00 0.00 O ATOM 1070 CB ARG A 68 6.714 7.633 -5.332 1.00 0.00 C ATOM 1071 CG ARG A 68 6.510 6.572 -4.264 1.00 0.00 C ATOM 1072 CD ARG A 68 7.707 6.491 -3.335 1.00 0.00 C ATOM 1073 NE ARG A 68 7.404 7.011 -2.002 1.00 0.00 N ATOM 1074 CZ ARG A 68 7.649 8.262 -1.615 1.00 0.00 C ATOM 1075 NH1 ARG A 68 8.208 9.132 -2.448 1.00 0.00 N ATOM 1076 NH2 ARG A 68 7.333 8.647 -0.385 1.00 0.00 N ATOM 0 H ARG A 68 5.281 6.227 -6.800 1.00 0.00 H new ATOM 0 HA ARG A 68 7.534 7.909 -7.298 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.439 8.362 -4.971 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.775 8.166 -5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.614 6.800 -3.687 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.347 5.603 -4.736 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.033 5.454 -3.254 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.537 7.053 -3.763 1.00 0.00 H new ATOM 0 HE ARG A 68 6.979 6.376 -1.326 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.454 8.845 -3.395 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.391 10.087 -2.141 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.903 7.986 0.262 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.520 9.604 -0.086 1.00 0.00 H new ATOM 1090 N PHE A 69 8.075 4.841 -6.339 1.00 0.00 N ATOM 1091 CA PHE A 69 9.116 3.840 -6.139 1.00 0.00 C ATOM 1092 C PHE A 69 10.044 3.782 -7.347 1.00 0.00 C ATOM 1093 O PHE A 69 11.252 3.584 -7.210 1.00 0.00 O ATOM 1094 CB PHE A 69 8.500 2.460 -5.899 1.00 0.00 C ATOM 1095 CG PHE A 69 7.625 2.380 -4.679 1.00 0.00 C ATOM 1096 CD1 PHE A 69 8.156 2.032 -3.448 1.00 0.00 C ATOM 1097 CD2 PHE A 69 6.271 2.639 -4.768 1.00 0.00 C ATOM 1098 CE1 PHE A 69 7.354 1.944 -2.326 1.00 0.00 C ATOM 1099 CE2 PHE A 69 5.462 2.553 -3.652 1.00 0.00 C ATOM 1100 CZ PHE A 69 6.001 2.206 -2.434 1.00 0.00 C ATOM 0 H PHE A 69 7.127 4.466 -6.370 1.00 0.00 H new ATOM 0 HA PHE A 69 9.693 4.128 -5.260 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.912 2.180 -6.773 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.302 1.728 -5.806 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.213 1.826 -3.364 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.841 2.912 -5.720 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.781 1.673 -1.372 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.405 2.758 -3.735 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.367 2.138 -1.562 1.00 0.00 H new ATOM 1110 N GLY A 70 9.470 3.954 -8.534 1.00 0.00 N ATOM 1111 CA GLY A 70 10.254 3.916 -9.754 1.00 0.00 C ATOM 1112 C GLY A 70 9.757 2.863 -10.725 1.00 0.00 C ATOM 1113 O GLY A 70 8.574 2.520 -10.725 1.00 0.00 O ATOM 0 H GLY A 70 8.473 4.119 -8.672 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.222 4.894 -10.234 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.297 3.716 -9.507 1.00 0.00 H new ATOM 1117 N SER A 71 10.658 2.347 -11.552 1.00 0.00 N ATOM 1118 CA SER A 71 10.302 1.325 -12.529 1.00 0.00 C ATOM 1119 C SER A 71 9.927 0.019 -11.834 1.00 0.00 C ATOM 1120 O SER A 71 9.124 -0.761 -12.347 1.00 0.00 O ATOM 1121 CB SER A 71 11.461 1.090 -13.501 1.00 0.00 C ATOM 1122 OG SER A 71 11.041 1.255 -14.845 1.00 0.00 O ATOM 0 H SER A 71 11.641 2.619 -11.566 1.00 0.00 H new ATOM 0 HA SER A 71 9.437 1.678 -13.091 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.271 1.786 -13.282 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.858 0.085 -13.362 1.00 0.00 H new ATOM 0 HG SER A 71 11.800 1.101 -15.446 1.00 0.00 H new ATOM 1128 N GLN A 72 10.516 -0.212 -10.665 1.00 0.00 N ATOM 1129 CA GLN A 72 10.246 -1.423 -9.899 1.00 0.00 C ATOM 1130 C GLN A 72 9.024 -1.239 -9.002 1.00 0.00 C ATOM 1131 O GLN A 72 9.144 -0.826 -7.849 1.00 0.00 O ATOM 1132 CB GLN A 72 11.465 -1.794 -9.051 1.00 0.00 C ATOM 1133 CG GLN A 72 12.739 -1.967 -9.862 1.00 0.00 C ATOM 1134 CD GLN A 72 12.723 -3.223 -10.711 1.00 0.00 C ATOM 1135 OE1 GLN A 72 11.689 -3.600 -11.264 1.00 0.00 O ATOM 1136 NE2 GLN A 72 13.872 -3.879 -10.820 1.00 0.00 N ATOM 0 H GLN A 72 11.183 0.424 -10.228 1.00 0.00 H new ATOM 0 HA GLN A 72 10.039 -2.231 -10.601 1.00 0.00 H new ATOM 0 HB2 GLN A 72 11.624 -1.020 -8.300 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.256 -2.720 -8.515 1.00 0.00 H new ATOM 0 HG2 GLN A 72 12.876 -1.099 -10.507 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.594 -2.000 -9.186 1.00 0.00 H new ATOM 0 HE21 GLN A 72 14.705 -3.531 -10.345 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.922 -4.731 -11.379 1.00 0.00 H new ATOM 1145 N ARG A 73 7.849 -1.548 -9.542 1.00 0.00 N ATOM 1146 CA ARG A 73 6.605 -1.416 -8.791 1.00 0.00 C ATOM 1147 C ARG A 73 6.309 -2.678 -7.984 1.00 0.00 C ATOM 1148 O ARG A 73 5.578 -2.633 -6.995 1.00 0.00 O ATOM 1149 CB ARG A 73 5.441 -1.118 -9.739 1.00 0.00 C ATOM 1150 CG ARG A 73 5.198 -2.211 -10.767 1.00 0.00 C ATOM 1151 CD ARG A 73 5.241 -1.665 -12.186 1.00 0.00 C ATOM 1152 NE ARG A 73 5.755 -2.649 -13.135 1.00 0.00 N ATOM 1153 CZ ARG A 73 6.187 -2.345 -14.357 1.00 0.00 C ATOM 1154 NH1 ARG A 73 6.167 -1.088 -14.781 1.00 0.00 N ATOM 1155 NH2 ARG A 73 6.640 -3.301 -15.157 1.00 0.00 N ATOM 0 H ARG A 73 7.732 -1.891 -10.495 1.00 0.00 H new ATOM 0 HA ARG A 73 6.722 -0.586 -8.095 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.534 -0.974 -9.153 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.637 -0.180 -10.258 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.951 -2.991 -10.654 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.228 -2.674 -10.584 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.239 -1.359 -12.487 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.868 -0.774 -12.213 1.00 0.00 H new ATOM 0 HE ARG A 73 5.785 -3.626 -12.845 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.819 -0.349 -14.170 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.499 -0.861 -15.718 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.657 -4.269 -14.836 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.971 -3.068 -16.093 1.00 0.00 H new ATOM 1169 N ASN A 74 6.882 -3.802 -8.408 1.00 0.00 N ATOM 1170 CA ASN A 74 6.677 -5.071 -7.717 1.00 0.00 C ATOM 1171 C ASN A 74 7.808 -5.343 -6.726 1.00 0.00 C ATOM 1172 O ASN A 74 8.090 -6.494 -6.393 1.00 0.00 O ATOM 1173 CB ASN A 74 6.583 -6.216 -8.727 1.00 0.00 C ATOM 1174 CG ASN A 74 5.213 -6.309 -9.370 1.00 0.00 C ATOM 1175 OD1 ASN A 74 4.217 -6.585 -8.700 1.00 0.00 O ATOM 1176 ND2 ASN A 74 5.156 -6.080 -10.677 1.00 0.00 N ATOM 0 H ASN A 74 7.490 -3.859 -9.225 1.00 0.00 H new ATOM 0 HA ASN A 74 5.741 -5.006 -7.162 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.336 -6.076 -9.502 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.811 -7.157 -8.227 1.00 0.00 H new ATOM 0 HD21 ASN A 74 4.262 -6.130 -11.165 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.007 -5.855 -11.193 1.00 0.00 H new ATOM 1183 N GLU A 75 8.450 -4.277 -6.262 1.00 0.00 N ATOM 1184 CA GLU A 75 9.551 -4.394 -5.311 1.00 0.00 C ATOM 1185 C GLU A 75 9.219 -3.706 -3.988 1.00 0.00 C ATOM 1186 O GLU A 75 9.978 -3.805 -3.024 1.00 0.00 O ATOM 1187 CB GLU A 75 10.817 -3.765 -5.896 1.00 0.00 C ATOM 1188 CG GLU A 75 12.101 -4.436 -5.435 1.00 0.00 C ATOM 1189 CD GLU A 75 12.396 -5.715 -6.195 1.00 0.00 C ATOM 1190 OE1 GLU A 75 11.667 -6.708 -5.990 1.00 0.00 O ATOM 1191 OE2 GLU A 75 13.354 -5.722 -6.996 1.00 0.00 O ATOM 0 H GLU A 75 8.227 -3.318 -6.530 1.00 0.00 H new ATOM 0 HA GLU A 75 9.713 -5.455 -5.122 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.765 -3.809 -6.984 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.849 -2.711 -5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.933 -3.743 -5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.028 -4.659 -4.370 1.00 0.00 H new ATOM 1198 N VAL A 76 8.093 -2.998 -3.955 1.00 0.00 N ATOM 1199 CA VAL A 76 7.671 -2.272 -2.759 1.00 0.00 C ATOM 1200 C VAL A 76 6.728 -3.097 -1.898 1.00 0.00 C ATOM 1201 O VAL A 76 6.109 -4.055 -2.361 1.00 0.00 O ATOM 1202 CB VAL A 76 6.978 -0.930 -3.114 1.00 0.00 C ATOM 1203 CG1 VAL A 76 6.708 -0.824 -4.608 1.00 0.00 C ATOM 1204 CG2 VAL A 76 5.687 -0.719 -2.308 1.00 0.00 C ATOM 0 H VAL A 76 7.454 -2.911 -4.745 1.00 0.00 H new ATOM 0 HA VAL A 76 8.582 -2.068 -2.196 1.00 0.00 H new ATOM 0 HB VAL A 76 7.669 -0.134 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.222 0.128 -4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.650 -0.882 -5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.058 -1.642 -4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.235 0.232 -2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.989 -1.529 -2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.920 -0.710 -1.243 1.00 0.00 H new ATOM 1214 N ARG A 77 6.602 -2.677 -0.650 1.00 0.00 N ATOM 1215 CA ARG A 77 5.711 -3.316 0.296 1.00 0.00 C ATOM 1216 C ARG A 77 4.882 -2.253 0.998 1.00 0.00 C ATOM 1217 O ARG A 77 5.379 -1.171 1.298 1.00 0.00 O ATOM 1218 CB ARG A 77 6.506 -4.136 1.313 1.00 0.00 C ATOM 1219 CG ARG A 77 7.058 -5.435 0.748 1.00 0.00 C ATOM 1220 CD ARG A 77 8.555 -5.558 0.985 1.00 0.00 C ATOM 1221 NE ARG A 77 8.975 -6.950 1.123 1.00 0.00 N ATOM 1222 CZ ARG A 77 10.232 -7.364 0.980 1.00 0.00 C ATOM 1223 NH1 ARG A 77 11.195 -6.496 0.694 1.00 0.00 N ATOM 1224 NH2 ARG A 77 10.528 -8.649 1.121 1.00 0.00 N ATOM 0 H ARG A 77 7.116 -1.883 -0.267 1.00 0.00 H new ATOM 0 HA ARG A 77 5.047 -3.996 -0.237 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.332 -3.532 1.688 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.865 -4.363 2.165 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.546 -6.279 1.209 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.853 -5.483 -0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.092 -5.098 0.156 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.826 -5.007 1.885 1.00 0.00 H new ATOM 0 HE ARG A 77 8.263 -7.646 1.342 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.973 -5.507 0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 77 12.157 -6.819 0.585 1.00 0.00 H new ATOM 0 HH21 ARG A 77 9.792 -9.321 1.339 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.491 -8.965 1.011 1.00 0.00 H new ATOM 1238 N PHE A 78 3.618 -2.557 1.252 1.00 0.00 N ATOM 1239 CA PHE A 78 2.738 -1.629 1.930 1.00 0.00 C ATOM 1240 C PHE A 78 2.416 -2.204 3.295 1.00 0.00 C ATOM 1241 O PHE A 78 2.245 -3.406 3.425 1.00 0.00 O ATOM 1242 CB PHE A 78 1.499 -1.367 1.085 1.00 0.00 C ATOM 1243 CG PHE A 78 1.835 -0.608 -0.166 1.00 0.00 C ATOM 1244 CD1 PHE A 78 1.914 0.775 -0.150 1.00 0.00 C ATOM 1245 CD2 PHE A 78 2.085 -1.276 -1.354 1.00 0.00 C ATOM 1246 CE1 PHE A 78 2.235 1.478 -1.297 1.00 0.00 C ATOM 1247 CE2 PHE A 78 2.405 -0.578 -2.503 1.00 0.00 C ATOM 1248 CZ PHE A 78 2.480 0.801 -2.475 1.00 0.00 C ATOM 0 H PHE A 78 3.182 -3.443 0.996 1.00 0.00 H new ATOM 0 HA PHE A 78 3.216 -0.660 2.070 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.030 -2.315 0.821 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.772 -0.803 1.669 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.723 1.310 0.768 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.029 -2.354 -1.382 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.294 2.556 -1.271 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.596 -1.111 -3.423 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.730 1.348 -3.372 1.00 0.00 H new ATOM 1258 N PHE A 79 2.433 -1.365 4.320 1.00 0.00 N ATOM 1259 CA PHE A 79 2.227 -1.841 5.689 1.00 0.00 C ATOM 1260 C PHE A 79 1.407 -0.857 6.507 1.00 0.00 C ATOM 1261 O PHE A 79 1.597 0.354 6.403 1.00 0.00 O ATOM 1262 CB PHE A 79 3.601 -2.077 6.338 1.00 0.00 C ATOM 1263 CG PHE A 79 4.725 -2.024 5.334 1.00 0.00 C ATOM 1264 CD1 PHE A 79 5.507 -3.135 5.067 1.00 0.00 C ATOM 1265 CD2 PHE A 79 4.966 -0.858 4.629 1.00 0.00 C ATOM 1266 CE1 PHE A 79 6.507 -3.079 4.116 1.00 0.00 C ATOM 1267 CE2 PHE A 79 5.960 -0.792 3.677 1.00 0.00 C ATOM 1268 CZ PHE A 79 6.730 -1.910 3.419 1.00 0.00 C ATOM 0 H PHE A 79 2.585 -0.360 4.237 1.00 0.00 H new ATOM 0 HA PHE A 79 1.664 -2.774 5.660 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.770 -1.325 7.109 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.605 -3.048 6.833 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.333 -4.054 5.607 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.364 0.016 4.829 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.114 -3.950 3.918 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.136 0.126 3.137 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.507 -1.868 2.671 1.00 0.00 H new ATOM 1278 N LEU A 80 0.491 -1.371 7.326 1.00 0.00 N ATOM 1279 CA LEU A 80 -0.339 -0.490 8.140 1.00 0.00 C ATOM 1280 C LEU A 80 0.272 -0.260 9.515 1.00 0.00 C ATOM 1281 O LEU A 80 0.585 -1.207 10.236 1.00 0.00 O ATOM 1282 CB LEU A 80 -1.754 -1.047 8.280 1.00 0.00 C ATOM 1283 CG LEU A 80 -2.857 -0.012 8.072 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -2.972 0.346 6.600 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -4.185 -0.522 8.610 1.00 0.00 C ATOM 0 H LEU A 80 0.308 -2.368 7.442 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.390 0.470 7.627 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.888 -1.854 7.560 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.864 -1.484 9.272 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.595 0.889 8.627 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.762 1.085 6.466 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.026 0.759 6.251 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.211 -0.549 6.025 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.956 0.232 8.451 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.461 -1.439 8.089 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.091 -0.726 9.677 1.00 0.00 H new ATOM 1297 N ARG A 81 0.440 1.013 9.870 1.00 0.00 N ATOM 1298 CA ARG A 81 1.017 1.375 11.158 1.00 0.00 C ATOM 1299 C ARG A 81 -0.069 1.808 12.139 1.00 0.00 C ATOM 1300 O ARG A 81 -0.554 2.938 12.085 1.00 0.00 O ATOM 1301 CB ARG A 81 2.040 2.499 10.983 1.00 0.00 C ATOM 1302 CG ARG A 81 3.003 2.267 9.828 1.00 0.00 C ATOM 1303 CD ARG A 81 4.453 2.385 10.274 1.00 0.00 C ATOM 1304 NE ARG A 81 5.311 1.408 9.610 1.00 0.00 N ATOM 1305 CZ ARG A 81 5.248 0.097 9.830 1.00 0.00 C ATOM 1306 NH1 ARG A 81 4.371 -0.398 10.695 1.00 0.00 N ATOM 1307 NH2 ARG A 81 6.065 -0.723 9.183 1.00 0.00 N ATOM 0 H ARG A 81 0.185 1.807 9.283 1.00 0.00 H new ATOM 0 HA ARG A 81 1.518 0.496 11.564 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.512 3.439 10.822 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.610 2.608 11.905 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.832 1.278 9.404 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.805 2.991 9.038 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.817 3.390 10.062 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.513 2.246 11.353 1.00 0.00 H new ATOM 0 HE ARG A 81 5.999 1.750 8.939 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.740 0.228 11.196 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.328 -1.404 10.859 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.741 -0.349 8.517 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.017 -1.728 9.351 1.00 0.00 H new