USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 741 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 HIS : no HD1:sc=-0.00255 K(o=-0.0051,f=-9.1!) USER MOD Set 1.2: B 95 THR OG1 : rot 180:sc=-0.00251 USER MOD Set 2.1: A 10 CYS SG : rot 180:sc= 0.852 USER MOD Set 2.2: A 81 THR OG1 : rot -63:sc= 1.03 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= -0.0433 K(o=-0.043,f=-1.8) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.38) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -162:sc= -0.0195 (180deg=-0.173) USER MOD Single : A 18 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.3!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.649 USER MOD Single : A 28 ASN : amide:sc= -0.73 K(o=-0.73,f=-3.1!) USER MOD Single : A 33 GLN : amide:sc= -0.0668 X(o=-0.067,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -170:sc= -0.295 (180deg=-0.731) USER MOD Single : A 42 MET CE :methyl -160:sc= 0 (180deg=-0.506) USER MOD Single : A 47 GLN : amide:sc= -0.0974 K(o=-0.097,f=-1.2) USER MOD Single : A 48 THR OG1 : rot 16:sc= 1.1 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.456 K(o=-0.46,f=-5.9!) USER MOD Single : A 58 THR OG1 : rot 85:sc= 0.895 USER MOD Single : A 61 THR OG1 : rot 170:sc= -2.16! USER MOD Single : A 62 HIS : no HD1:sc= -0.0411 X(o=-0.041,f=-0.067) USER MOD Single : A 63 SER OG : rot 88:sc= 0.327 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= -0.0133 (180deg=-0.0133) USER MOD Single : A 74 SER OG : rot 90:sc= 0.207 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.61) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN : amide:sc= -0.0526 X(o=-0.053,f=0) USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.701 9.438 -25.659 1.00 0.00 N ATOM 2 CA GLY A 1 8.428 10.231 -24.427 1.00 0.00 C ATOM 3 C GLY A 1 9.108 11.588 -24.447 1.00 0.00 C ATOM 4 O GLY A 1 10.262 11.701 -24.861 1.00 0.00 O ATOM 0 H1 GLY A 1 8.215 8.521 -25.596 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.354 9.958 -26.490 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.725 9.281 -25.751 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.352 10.369 -24.318 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.767 9.671 -23.556 1.00 0.00 H new ATOM 10 N SER A 2 8.391 12.617 -23.995 1.00 0.00 N ATOM 11 CA SER A 2 8.932 13.976 -23.960 1.00 0.00 C ATOM 12 C SER A 2 9.433 14.339 -22.557 1.00 0.00 C ATOM 13 O SER A 2 9.449 15.512 -22.177 1.00 0.00 O ATOM 14 CB SER A 2 7.864 14.974 -24.422 1.00 0.00 C ATOM 15 OG SER A 2 8.430 15.989 -25.234 1.00 0.00 O ATOM 0 H SER A 2 7.435 12.536 -23.648 1.00 0.00 H new ATOM 0 HA SER A 2 9.784 14.023 -24.639 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.088 14.449 -24.979 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.383 15.425 -23.554 1.00 0.00 H new ATOM 0 HG SER A 2 7.728 16.611 -25.517 1.00 0.00 H new ATOM 21 N HIS A 3 9.850 13.323 -21.793 1.00 0.00 N ATOM 22 CA HIS A 3 10.359 13.523 -20.437 1.00 0.00 C ATOM 23 C HIS A 3 10.866 12.205 -19.853 1.00 0.00 C ATOM 24 O HIS A 3 12.049 12.075 -19.537 1.00 0.00 O ATOM 25 CB HIS A 3 9.270 14.110 -19.532 1.00 0.00 C ATOM 26 CG HIS A 3 9.744 14.436 -18.148 1.00 0.00 C ATOM 27 ND1 HIS A 3 9.777 13.509 -17.125 1.00 0.00 N ATOM 28 CD2 HIS A 3 10.198 15.595 -17.616 1.00 0.00 C ATOM 29 CE1 HIS A 3 10.230 14.086 -16.026 1.00 0.00 C ATOM 30 NE2 HIS A 3 10.493 15.351 -16.298 1.00 0.00 N ATOM 0 H HIS A 3 9.843 12.349 -22.096 1.00 0.00 H new ATOM 0 HA HIS A 3 11.189 14.227 -20.489 1.00 0.00 H new ATOM 0 HB2 HIS A 3 8.876 15.015 -19.994 1.00 0.00 H new ATOM 0 HB3 HIS A 3 8.445 13.401 -19.466 1.00 0.00 H new ATOM 0 HD1 HIS A 3 9.496 12.532 -17.205 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.308 16.537 -18.133 1.00 0.00 H new ATOM 0 HE1 HIS A 3 10.363 13.605 -15.068 1.00 0.00 H new ATOM 39 N MET A 4 9.959 11.229 -19.719 1.00 0.00 N ATOM 40 CA MET A 4 10.302 9.908 -19.175 1.00 0.00 C ATOM 41 C MET A 4 10.699 10.000 -17.700 1.00 0.00 C ATOM 42 O MET A 4 11.057 11.071 -17.206 1.00 0.00 O ATOM 43 CB MET A 4 11.439 9.269 -19.985 1.00 0.00 C ATOM 44 CG MET A 4 11.196 9.259 -21.489 1.00 0.00 C ATOM 45 SD MET A 4 10.482 7.707 -22.065 1.00 0.00 S ATOM 46 CE MET A 4 11.930 6.904 -22.747 1.00 0.00 C ATOM 0 H MET A 4 8.978 11.330 -19.981 1.00 0.00 H new ATOM 0 HA MET A 4 9.415 9.279 -19.251 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.365 9.807 -19.780 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.584 8.244 -19.643 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.530 10.081 -21.751 1.00 0.00 H new ATOM 0 HG3 MET A 4 12.139 9.435 -22.007 1.00 0.00 H new ATOM 0 HE1 MET A 4 11.651 5.928 -23.145 1.00 0.00 H new ATOM 0 HE2 MET A 4 12.343 7.518 -23.547 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.678 6.776 -21.964 1.00 0.00 H new ATOM 56 N GLY A 5 10.633 8.868 -17.000 1.00 0.00 N ATOM 57 CA GLY A 5 10.988 8.847 -15.591 1.00 0.00 C ATOM 58 C GLY A 5 10.989 7.446 -15.007 1.00 0.00 C ATOM 59 O GLY A 5 11.982 6.725 -15.116 1.00 0.00 O ATOM 0 H GLY A 5 10.341 7.969 -17.383 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.976 9.290 -15.463 1.00 0.00 H new ATOM 0 HA3 GLY A 5 10.286 9.468 -15.034 1.00 0.00 H new ATOM 63 N LEU A 6 9.875 7.064 -14.384 1.00 0.00 N ATOM 64 CA LEU A 6 9.750 5.742 -13.775 1.00 0.00 C ATOM 65 C LEU A 6 8.666 4.916 -14.471 1.00 0.00 C ATOM 66 O LEU A 6 7.911 5.432 -15.297 1.00 0.00 O ATOM 67 CB LEU A 6 9.434 5.871 -12.281 1.00 0.00 C ATOM 68 CG LEU A 6 10.402 6.745 -11.480 1.00 0.00 C ATOM 69 CD1 LEU A 6 9.962 6.832 -10.027 1.00 0.00 C ATOM 70 CD2 LEU A 6 11.821 6.202 -11.577 1.00 0.00 C ATOM 0 H LEU A 6 9.047 7.652 -14.288 1.00 0.00 H new ATOM 0 HA LEU A 6 10.703 5.226 -13.894 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.429 6.278 -12.173 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.423 4.874 -11.842 1.00 0.00 H new ATOM 0 HG LEU A 6 10.390 7.749 -11.905 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.661 7.457 -9.472 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.965 7.268 -9.974 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.944 5.833 -9.592 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.494 6.837 -11.001 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.850 5.188 -11.179 1.00 0.00 H new ATOM 0 HD23 LEU A 6 12.136 6.192 -12.620 1.00 0.00 H new ATOM 82 N VAL A 7 8.603 3.628 -14.131 1.00 0.00 N ATOM 83 CA VAL A 7 7.619 2.718 -14.716 1.00 0.00 C ATOM 84 C VAL A 7 6.608 2.258 -13.669 1.00 0.00 C ATOM 85 O VAL A 7 6.966 2.012 -12.515 1.00 0.00 O ATOM 86 CB VAL A 7 8.297 1.475 -15.335 1.00 0.00 C ATOM 87 CG1 VAL A 7 7.303 0.659 -16.154 1.00 0.00 C ATOM 88 CG2 VAL A 7 9.488 1.881 -16.192 1.00 0.00 C ATOM 0 H VAL A 7 9.225 3.191 -13.451 1.00 0.00 H new ATOM 0 HA VAL A 7 7.104 3.272 -15.501 1.00 0.00 H new ATOM 0 HB VAL A 7 8.657 0.849 -14.518 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.807 -0.210 -16.578 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.488 0.327 -15.511 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.903 1.275 -16.959 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.950 0.990 -16.618 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.151 2.535 -16.996 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.216 2.409 -15.576 1.00 0.00 H new ATOM 98 N GLN A 8 5.345 2.135 -14.083 1.00 0.00 N ATOM 99 CA GLN A 8 4.282 1.696 -13.183 1.00 0.00 C ATOM 100 C GLN A 8 3.988 0.209 -13.371 1.00 0.00 C ATOM 101 O GLN A 8 3.956 -0.292 -14.498 1.00 0.00 O ATOM 102 CB GLN A 8 3.007 2.523 -13.399 1.00 0.00 C ATOM 103 CG GLN A 8 2.381 2.364 -14.779 1.00 0.00 C ATOM 104 CD GLN A 8 1.298 1.299 -14.813 1.00 0.00 C ATOM 105 OE1 GLN A 8 0.337 1.353 -14.046 1.00 0.00 O ATOM 106 NE2 GLN A 8 1.447 0.325 -15.705 1.00 0.00 N ATOM 0 H GLN A 8 5.036 2.333 -15.035 1.00 0.00 H new ATOM 0 HA GLN A 8 4.625 1.852 -12.160 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.272 2.240 -12.645 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.239 3.576 -13.238 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.957 3.318 -15.093 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.159 2.109 -15.499 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.259 0.318 -16.322 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.749 -0.416 -15.773 1.00 0.00 H new ATOM 115 N ARG A 9 3.782 -0.491 -12.256 1.00 0.00 N ATOM 116 CA ARG A 9 3.502 -1.924 -12.284 1.00 0.00 C ATOM 117 C ARG A 9 2.575 -2.328 -11.134 1.00 0.00 C ATOM 118 O ARG A 9 2.541 -1.673 -10.090 1.00 0.00 O ATOM 119 CB ARG A 9 4.809 -2.718 -12.197 1.00 0.00 C ATOM 120 CG ARG A 9 5.834 -2.335 -13.256 1.00 0.00 C ATOM 121 CD ARG A 9 7.146 -3.079 -13.063 1.00 0.00 C ATOM 122 NE ARG A 9 8.229 -2.188 -12.642 1.00 0.00 N ATOM 123 CZ ARG A 9 9.371 -2.610 -12.092 1.00 0.00 C ATOM 124 NH1 ARG A 9 9.586 -3.908 -11.902 1.00 0.00 N ATOM 125 NH2 ARG A 9 10.299 -1.730 -11.732 1.00 0.00 N ATOM 0 H ARG A 9 3.804 -0.086 -11.320 1.00 0.00 H new ATOM 0 HA ARG A 9 3.001 -2.151 -13.225 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.248 -2.570 -11.210 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.584 -3.781 -12.290 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.434 -2.554 -14.246 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.015 -1.261 -13.216 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.011 -3.862 -12.317 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.424 -3.571 -13.995 1.00 0.00 H new ATOM 0 HE ARG A 9 8.104 -1.185 -12.777 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.877 -4.588 -12.177 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.460 -4.224 -11.482 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.139 -0.733 -11.876 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.171 -2.052 -11.312 1.00 0.00 H new ATOM 139 N CYS A 10 1.831 -3.417 -11.333 1.00 0.00 N ATOM 140 CA CYS A 10 0.910 -3.917 -10.313 1.00 0.00 C ATOM 141 C CYS A 10 1.561 -5.031 -9.494 1.00 0.00 C ATOM 142 O CYS A 10 1.959 -6.062 -10.040 1.00 0.00 O ATOM 143 CB CYS A 10 -0.376 -4.440 -10.960 1.00 0.00 C ATOM 144 SG CYS A 10 -1.133 -3.296 -12.138 1.00 0.00 S ATOM 0 H CYS A 10 1.849 -3.969 -12.191 1.00 0.00 H new ATOM 0 HA CYS A 10 0.664 -3.088 -9.649 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.157 -5.377 -11.471 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.098 -4.666 -10.175 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.211 -3.830 -12.630 1.00 0.00 H new ATOM 150 N VAL A 11 1.660 -4.821 -8.182 1.00 0.00 N ATOM 151 CA VAL A 11 2.255 -5.813 -7.288 1.00 0.00 C ATOM 152 C VAL A 11 1.185 -6.491 -6.435 1.00 0.00 C ATOM 153 O VAL A 11 0.396 -5.823 -5.765 1.00 0.00 O ATOM 154 CB VAL A 11 3.325 -5.191 -6.359 1.00 0.00 C ATOM 155 CG1 VAL A 11 4.601 -4.897 -7.133 1.00 0.00 C ATOM 156 CG2 VAL A 11 2.800 -3.930 -5.686 1.00 0.00 C ATOM 0 H VAL A 11 1.336 -3.974 -7.715 1.00 0.00 H new ATOM 0 HA VAL A 11 2.739 -6.553 -7.925 1.00 0.00 H new ATOM 0 HB VAL A 11 3.556 -5.916 -5.578 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.341 -4.460 -6.462 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.994 -5.823 -7.553 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.384 -4.197 -7.940 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.573 -3.514 -5.039 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.530 -3.197 -6.446 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.921 -4.175 -5.090 1.00 0.00 H new ATOM 166 N ILE A 12 1.164 -7.822 -6.467 1.00 0.00 N ATOM 167 CA ILE A 12 0.192 -8.594 -5.698 1.00 0.00 C ATOM 168 C ILE A 12 0.784 -9.025 -4.358 1.00 0.00 C ATOM 169 O ILE A 12 1.691 -9.859 -4.308 1.00 0.00 O ATOM 170 CB ILE A 12 -0.283 -9.848 -6.471 1.00 0.00 C ATOM 171 CG1 ILE A 12 -0.709 -9.478 -7.897 1.00 0.00 C ATOM 172 CG2 ILE A 12 -1.430 -10.526 -5.732 1.00 0.00 C ATOM 173 CD1 ILE A 12 0.434 -9.474 -8.890 1.00 0.00 C ATOM 0 H ILE A 12 1.810 -8.388 -7.018 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.667 -7.945 -5.527 1.00 0.00 H new ATOM 0 HB ILE A 12 0.551 -10.547 -6.534 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.470 -10.182 -8.234 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.172 -8.491 -7.884 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.752 -11.406 -6.289 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.096 -10.827 -4.739 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.264 -9.831 -5.638 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.058 -9.204 -9.877 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.185 -8.749 -8.577 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.883 -10.466 -8.932 1.00 0.00 H new ATOM 185 N ILE A 13 0.267 -8.449 -3.273 1.00 0.00 N ATOM 186 CA ILE A 13 0.745 -8.768 -1.930 1.00 0.00 C ATOM 187 C ILE A 13 -0.302 -9.564 -1.151 1.00 0.00 C ATOM 188 O ILE A 13 -1.465 -9.163 -1.074 1.00 0.00 O ATOM 189 CB ILE A 13 1.097 -7.491 -1.133 1.00 0.00 C ATOM 190 CG1 ILE A 13 1.938 -6.528 -1.980 1.00 0.00 C ATOM 191 CG2 ILE A 13 1.836 -7.852 0.148 1.00 0.00 C ATOM 192 CD1 ILE A 13 2.085 -5.153 -1.363 1.00 0.00 C ATOM 0 H ILE A 13 -0.483 -7.759 -3.299 1.00 0.00 H new ATOM 0 HA ILE A 13 1.646 -9.369 -2.052 1.00 0.00 H new ATOM 0 HB ILE A 13 0.166 -6.988 -0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.928 -6.958 -2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.481 -6.429 -2.965 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.077 -6.942 0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.205 -8.492 0.764 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.757 -8.381 -0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.691 -4.524 -2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.100 -4.703 -1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.570 -5.240 -0.391 1.00 0.00 H new ATOM 204 N GLN A 14 0.124 -10.684 -0.566 1.00 0.00 N ATOM 205 CA GLN A 14 -0.768 -11.534 0.221 1.00 0.00 C ATOM 206 C GLN A 14 -0.468 -11.387 1.714 1.00 0.00 C ATOM 207 O GLN A 14 0.675 -11.558 2.145 1.00 0.00 O ATOM 208 CB GLN A 14 -0.633 -13.002 -0.207 1.00 0.00 C ATOM 209 CG GLN A 14 0.750 -13.594 0.026 1.00 0.00 C ATOM 210 CD GLN A 14 1.175 -14.540 -1.083 1.00 0.00 C ATOM 211 OE1 GLN A 14 1.039 -15.758 -0.960 1.00 0.00 O ATOM 212 NE2 GLN A 14 1.692 -13.985 -2.174 1.00 0.00 N ATOM 0 H GLN A 14 1.084 -11.024 -0.623 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.794 -11.214 0.039 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.367 -13.597 0.337 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.878 -13.084 -1.266 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.478 -12.787 0.108 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.757 -14.128 0.976 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.787 -12.971 -2.235 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.994 -14.573 -2.951 1.00 0.00 H new ATOM 221 N LYS A 15 -1.496 -11.062 2.497 1.00 0.00 N ATOM 222 CA LYS A 15 -1.342 -10.886 3.941 1.00 0.00 C ATOM 223 C LYS A 15 -1.009 -12.211 4.620 1.00 0.00 C ATOM 224 O LYS A 15 -1.587 -13.249 4.293 1.00 0.00 O ATOM 225 CB LYS A 15 -2.619 -10.296 4.548 1.00 0.00 C ATOM 226 CG LYS A 15 -2.384 -9.527 5.841 1.00 0.00 C ATOM 227 CD LYS A 15 -2.461 -10.436 7.060 1.00 0.00 C ATOM 228 CE LYS A 15 -3.838 -10.394 7.708 1.00 0.00 C ATOM 229 NZ LYS A 15 -4.100 -9.092 8.386 1.00 0.00 N ATOM 0 H LYS A 15 -2.446 -10.915 2.155 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.516 -10.194 4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.083 -9.631 3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.326 -11.103 4.739 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.406 -9.047 5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.125 -8.733 5.932 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.228 -11.459 6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.707 -10.134 7.787 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.601 -10.567 6.949 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.921 -11.203 8.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.887 -9.202 9.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.247 -8.790 8.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.348 -8.374 7.675 1.00 0.00 H new ATOM 243 N ASP A 16 -0.072 -12.165 5.565 1.00 0.00 N ATOM 244 CA ASP A 16 0.347 -13.360 6.293 1.00 0.00 C ATOM 245 C ASP A 16 0.170 -13.182 7.799 1.00 0.00 C ATOM 246 O ASP A 16 -0.299 -12.139 8.262 1.00 0.00 O ATOM 247 CB ASP A 16 1.811 -13.676 5.976 1.00 0.00 C ATOM 248 CG ASP A 16 1.960 -14.581 4.770 1.00 0.00 C ATOM 249 OD1 ASP A 16 1.617 -14.142 3.652 1.00 0.00 O ATOM 250 OD2 ASP A 16 2.419 -15.729 4.943 1.00 0.00 O ATOM 0 H ASP A 16 0.412 -11.312 5.844 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.283 -14.190 5.973 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.350 -12.746 5.797 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.273 -14.150 6.842 1.00 0.00 H new ATOM 255 N ASP A 17 0.557 -14.208 8.560 1.00 0.00 N ATOM 256 CA ASP A 17 0.455 -14.171 10.017 1.00 0.00 C ATOM 257 C ASP A 17 1.198 -12.961 10.588 1.00 0.00 C ATOM 258 O ASP A 17 0.768 -12.372 11.580 1.00 0.00 O ATOM 259 CB ASP A 17 1.014 -15.462 10.626 1.00 0.00 C ATOM 260 CG ASP A 17 0.698 -15.597 12.106 1.00 0.00 C ATOM 261 OD1 ASP A 17 -0.402 -15.176 12.525 1.00 0.00 O ATOM 262 OD2 ASP A 17 1.554 -16.126 12.845 1.00 0.00 O ATOM 0 H ASP A 17 0.944 -15.075 8.189 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.600 -14.083 10.277 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.603 -16.319 10.091 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.095 -15.487 10.486 1.00 0.00 H new ATOM 267 N ASN A 18 2.310 -12.596 9.952 1.00 0.00 N ATOM 268 CA ASN A 18 3.109 -11.454 10.392 1.00 0.00 C ATOM 269 C ASN A 18 2.731 -10.175 9.630 1.00 0.00 C ATOM 270 O ASN A 18 3.457 -9.180 9.681 1.00 0.00 O ATOM 271 CB ASN A 18 4.601 -11.757 10.207 1.00 0.00 C ATOM 272 CG ASN A 18 5.304 -12.055 11.519 1.00 0.00 C ATOM 273 OD1 ASN A 18 4.668 -12.391 12.517 1.00 0.00 O ATOM 274 ND2 ASN A 18 6.626 -11.935 11.522 1.00 0.00 N ATOM 0 H ASN A 18 2.678 -13.075 9.130 1.00 0.00 H new ATOM 0 HA ASN A 18 2.902 -11.286 11.449 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.714 -12.609 9.537 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.084 -10.906 9.726 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.153 -12.124 12.374 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.114 -11.654 10.672 1.00 0.00 H new ATOM 281 N GLY A 19 1.592 -10.202 8.928 1.00 0.00 N ATOM 282 CA GLY A 19 1.146 -9.038 8.178 1.00 0.00 C ATOM 283 C GLY A 19 1.924 -8.832 6.889 1.00 0.00 C ATOM 284 O GLY A 19 2.611 -9.741 6.416 1.00 0.00 O ATOM 0 H GLY A 19 0.973 -11.011 8.868 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.087 -9.147 7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.245 -8.150 8.802 1.00 0.00 H new ATOM 288 N PHE A 20 1.814 -7.630 6.323 1.00 0.00 N ATOM 289 CA PHE A 20 2.512 -7.294 5.080 1.00 0.00 C ATOM 290 C PHE A 20 3.959 -6.894 5.362 1.00 0.00 C ATOM 291 O PHE A 20 4.882 -7.330 4.669 1.00 0.00 O ATOM 292 CB PHE A 20 1.797 -6.152 4.347 1.00 0.00 C ATOM 293 CG PHE A 20 0.322 -6.375 4.150 1.00 0.00 C ATOM 294 CD1 PHE A 20 -0.590 -5.971 5.112 1.00 0.00 C ATOM 295 CD2 PHE A 20 -0.153 -6.981 2.996 1.00 0.00 C ATOM 296 CE1 PHE A 20 -1.945 -6.167 4.930 1.00 0.00 C ATOM 297 CE2 PHE A 20 -1.509 -7.182 2.809 1.00 0.00 C ATOM 298 CZ PHE A 20 -2.406 -6.773 3.777 1.00 0.00 C ATOM 0 H PHE A 20 1.248 -6.872 6.705 1.00 0.00 H new ATOM 0 HA PHE A 20 2.507 -8.181 4.446 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.942 -5.228 4.907 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.265 -6.011 3.373 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.237 -5.497 6.016 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.544 -7.300 2.235 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.644 -5.847 5.689 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.866 -7.658 1.908 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.465 -6.927 3.633 1.00 0.00 H new ATOM 308 N GLY A 21 4.145 -6.059 6.386 1.00 0.00 N ATOM 309 CA GLY A 21 5.473 -5.602 6.756 1.00 0.00 C ATOM 310 C GLY A 21 5.974 -4.470 5.875 1.00 0.00 C ATOM 311 O GLY A 21 7.074 -4.549 5.330 1.00 0.00 O ATOM 0 H GLY A 21 3.392 -5.690 6.968 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.462 -5.270 7.794 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.170 -6.438 6.696 1.00 0.00 H new ATOM 315 N LEU A 22 5.172 -3.416 5.733 1.00 0.00 N ATOM 316 CA LEU A 22 5.555 -2.269 4.911 1.00 0.00 C ATOM 317 C LEU A 22 4.933 -0.974 5.433 1.00 0.00 C ATOM 318 O LEU A 22 3.786 -0.960 5.883 1.00 0.00 O ATOM 319 CB LEU A 22 5.154 -2.494 3.447 1.00 0.00 C ATOM 320 CG LEU A 22 3.785 -3.147 3.234 1.00 0.00 C ATOM 321 CD1 LEU A 22 2.685 -2.096 3.211 1.00 0.00 C ATOM 322 CD2 LEU A 22 3.776 -3.963 1.947 1.00 0.00 C ATOM 0 H LEU A 22 4.256 -3.332 6.175 1.00 0.00 H new ATOM 0 HA LEU A 22 6.639 -2.171 4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.163 -1.533 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.912 -3.116 2.972 1.00 0.00 H new ATOM 0 HG LEU A 22 3.594 -3.821 4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.721 -2.581 3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.675 -1.559 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.870 -1.393 2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.795 -4.419 1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.992 -3.310 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.534 -4.744 2.006 1.00 0.00 H new ATOM 334 N THR A 23 5.700 0.113 5.359 1.00 0.00 N ATOM 335 CA THR A 23 5.236 1.422 5.811 1.00 0.00 C ATOM 336 C THR A 23 5.144 2.389 4.633 1.00 0.00 C ATOM 337 O THR A 23 6.132 2.627 3.935 1.00 0.00 O ATOM 338 CB THR A 23 6.177 1.983 6.883 1.00 0.00 C ATOM 339 OG1 THR A 23 6.612 0.958 7.762 1.00 0.00 O ATOM 340 CG2 THR A 23 5.546 3.072 7.724 1.00 0.00 C ATOM 0 H THR A 23 6.650 0.111 4.988 1.00 0.00 H new ATOM 0 HA THR A 23 4.243 1.305 6.246 1.00 0.00 H new ATOM 0 HB THR A 23 7.015 2.410 6.332 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.213 1.339 8.436 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.266 3.425 8.463 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.249 3.901 7.082 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.668 2.675 8.234 1.00 0.00 H new ATOM 348 N VAL A 24 3.948 2.928 4.409 1.00 0.00 N ATOM 349 CA VAL A 24 3.712 3.856 3.306 1.00 0.00 C ATOM 350 C VAL A 24 3.253 5.232 3.805 1.00 0.00 C ATOM 351 O VAL A 24 2.618 5.344 4.855 1.00 0.00 O ATOM 352 CB VAL A 24 2.664 3.276 2.331 1.00 0.00 C ATOM 353 CG1 VAL A 24 1.260 3.367 2.917 1.00 0.00 C ATOM 354 CG2 VAL A 24 2.737 3.974 0.983 1.00 0.00 C ATOM 0 H VAL A 24 3.124 2.737 4.979 1.00 0.00 H new ATOM 0 HA VAL A 24 4.660 3.988 2.784 1.00 0.00 H new ATOM 0 HB VAL A 24 2.893 2.221 2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.543 2.952 2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.218 2.804 3.849 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.014 4.411 3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.990 3.549 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.544 5.039 1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.730 3.835 0.555 1.00 0.00 H new ATOM 364 N SER A 25 3.582 6.275 3.037 1.00 0.00 N ATOM 365 CA SER A 25 3.210 7.647 3.383 1.00 0.00 C ATOM 366 C SER A 25 2.689 8.398 2.155 1.00 0.00 C ATOM 367 O SER A 25 2.930 7.987 1.022 1.00 0.00 O ATOM 368 CB SER A 25 4.414 8.386 3.975 1.00 0.00 C ATOM 369 OG SER A 25 4.110 9.748 4.234 1.00 0.00 O ATOM 0 H SER A 25 4.108 6.192 2.167 1.00 0.00 H new ATOM 0 HA SER A 25 2.413 7.607 4.126 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.723 7.899 4.900 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.256 8.324 3.285 1.00 0.00 H new ATOM 0 HG SER A 25 4.897 10.193 4.613 1.00 0.00 H new ATOM 375 N GLY A 26 1.975 9.503 2.388 1.00 0.00 N ATOM 376 CA GLY A 26 1.433 10.291 1.290 1.00 0.00 C ATOM 377 C GLY A 26 -0.005 9.924 0.970 1.00 0.00 C ATOM 378 O GLY A 26 -0.556 8.994 1.560 1.00 0.00 O ATOM 0 H GLY A 26 1.763 9.865 3.318 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.487 11.349 1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.049 10.145 0.403 1.00 0.00 H new ATOM 382 N ASP A 27 -0.618 10.656 0.037 1.00 0.00 N ATOM 383 CA ASP A 27 -2.002 10.387 -0.342 1.00 0.00 C ATOM 384 C ASP A 27 -2.144 10.209 -1.855 1.00 0.00 C ATOM 385 O ASP A 27 -2.127 9.080 -2.338 1.00 0.00 O ATOM 386 CB ASP A 27 -2.925 11.497 0.172 1.00 0.00 C ATOM 387 CG ASP A 27 -4.385 11.241 -0.155 1.00 0.00 C ATOM 388 OD1 ASP A 27 -4.997 10.375 0.504 1.00 0.00 O ATOM 389 OD2 ASP A 27 -4.913 11.908 -1.070 1.00 0.00 O ATOM 0 H ASP A 27 -0.182 11.430 -0.464 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.302 9.449 0.125 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.809 11.589 1.252 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.620 12.448 -0.264 1.00 0.00 H new ATOM 394 N ASN A 28 -2.277 11.312 -2.608 1.00 0.00 N ATOM 395 CA ASN A 28 -2.408 11.216 -4.065 1.00 0.00 C ATOM 396 C ASN A 28 -1.312 10.299 -4.607 1.00 0.00 C ATOM 397 O ASN A 28 -1.598 9.238 -5.160 1.00 0.00 O ATOM 398 CB ASN A 28 -2.337 12.603 -4.723 1.00 0.00 C ATOM 399 CG ASN A 28 -3.660 13.030 -5.337 1.00 0.00 C ATOM 400 OD1 ASN A 28 -4.726 12.574 -4.919 1.00 0.00 O ATOM 401 ND2 ASN A 28 -3.601 13.910 -6.331 1.00 0.00 N ATOM 0 H ASN A 28 -2.296 12.263 -2.238 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.384 10.795 -4.307 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.033 13.339 -3.978 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.568 12.595 -5.496 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.459 14.233 -6.778 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.698 14.263 -6.647 1.00 0.00 H new ATOM 408 N PRO A 29 -0.033 10.679 -4.416 1.00 0.00 N ATOM 409 CA PRO A 29 1.106 9.886 -4.834 1.00 0.00 C ATOM 410 C PRO A 29 1.634 9.059 -3.662 1.00 0.00 C ATOM 411 O PRO A 29 2.680 9.378 -3.088 1.00 0.00 O ATOM 412 CB PRO A 29 2.102 10.972 -5.228 1.00 0.00 C ATOM 413 CG PRO A 29 1.835 12.094 -4.268 1.00 0.00 C ATOM 414 CD PRO A 29 0.425 11.907 -3.741 1.00 0.00 C ATOM 0 HA PRO A 29 0.894 9.170 -5.628 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.129 10.617 -5.147 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.955 11.290 -6.260 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.556 12.081 -3.451 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.935 13.058 -4.766 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.413 11.798 -2.657 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.210 12.759 -3.983 1.00 0.00 H new ATOM 422 N VAL A 30 0.894 8.013 -3.288 1.00 0.00 N ATOM 423 CA VAL A 30 1.288 7.174 -2.158 1.00 0.00 C ATOM 424 C VAL A 30 2.722 6.667 -2.351 1.00 0.00 C ATOM 425 O VAL A 30 3.038 6.060 -3.373 1.00 0.00 O ATOM 426 CB VAL A 30 0.343 5.965 -1.953 1.00 0.00 C ATOM 427 CG1 VAL A 30 0.478 5.423 -0.538 1.00 0.00 C ATOM 428 CG2 VAL A 30 -1.107 6.332 -2.236 1.00 0.00 C ATOM 0 H VAL A 30 0.028 7.730 -3.746 1.00 0.00 H new ATOM 0 HA VAL A 30 1.224 7.799 -1.267 1.00 0.00 H new ATOM 0 HB VAL A 30 0.637 5.192 -2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.192 4.573 -0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.506 5.104 -0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.217 6.203 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.740 5.458 -2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.419 7.130 -1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.202 6.671 -3.268 1.00 0.00 H new ATOM 438 N PHE A 31 3.591 6.936 -1.379 1.00 0.00 N ATOM 439 CA PHE A 31 4.989 6.519 -1.464 1.00 0.00 C ATOM 440 C PHE A 31 5.348 5.524 -0.359 1.00 0.00 C ATOM 441 O PHE A 31 5.185 5.814 0.827 1.00 0.00 O ATOM 442 CB PHE A 31 5.906 7.745 -1.382 1.00 0.00 C ATOM 443 CG PHE A 31 7.344 7.454 -1.719 1.00 0.00 C ATOM 444 CD1 PHE A 31 8.144 6.735 -0.844 1.00 0.00 C ATOM 445 CD2 PHE A 31 7.893 7.899 -2.911 1.00 0.00 C ATOM 446 CE1 PHE A 31 9.464 6.466 -1.152 1.00 0.00 C ATOM 447 CE2 PHE A 31 9.213 7.632 -3.224 1.00 0.00 C ATOM 448 CZ PHE A 31 9.999 6.914 -2.344 1.00 0.00 C ATOM 0 H PHE A 31 3.352 7.440 -0.525 1.00 0.00 H new ATOM 0 HA PHE A 31 5.131 6.020 -2.422 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.532 8.512 -2.060 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.855 8.158 -0.374 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.731 6.381 0.089 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.283 8.461 -3.603 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.077 5.906 -0.461 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.629 7.985 -4.156 1.00 0.00 H new ATOM 0 HZ PHE A 31 11.030 6.703 -2.587 1.00 0.00 H new ATOM 458 N VAL A 32 5.854 4.358 -0.763 1.00 0.00 N ATOM 459 CA VAL A 32 6.258 3.321 0.185 1.00 0.00 C ATOM 460 C VAL A 32 7.629 3.646 0.772 1.00 0.00 C ATOM 461 O VAL A 32 8.624 3.712 0.048 1.00 0.00 O ATOM 462 CB VAL A 32 6.311 1.928 -0.482 1.00 0.00 C ATOM 463 CG1 VAL A 32 6.515 0.839 0.562 1.00 0.00 C ATOM 464 CG2 VAL A 32 5.047 1.668 -1.290 1.00 0.00 C ATOM 0 H VAL A 32 5.994 4.109 -1.742 1.00 0.00 H new ATOM 0 HA VAL A 32 5.510 3.297 0.978 1.00 0.00 H new ATOM 0 HB VAL A 32 7.161 1.910 -1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.549 -0.134 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.453 1.012 1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.689 0.858 1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.106 0.682 -1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.179 1.710 -0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.949 2.426 -2.067 1.00 0.00 H new ATOM 474 N GLN A 33 7.671 3.864 2.084 1.00 0.00 N ATOM 475 CA GLN A 33 8.917 4.202 2.769 1.00 0.00 C ATOM 476 C GLN A 33 9.770 2.964 3.043 1.00 0.00 C ATOM 477 O GLN A 33 10.781 2.746 2.376 1.00 0.00 O ATOM 478 CB GLN A 33 8.621 4.942 4.079 1.00 0.00 C ATOM 479 CG GLN A 33 9.356 6.267 4.202 1.00 0.00 C ATOM 480 CD GLN A 33 8.731 7.190 5.234 1.00 0.00 C ATOM 481 OE1 GLN A 33 9.383 7.591 6.197 1.00 0.00 O ATOM 482 NE2 GLN A 33 7.461 7.534 5.037 1.00 0.00 N ATOM 0 H GLN A 33 6.856 3.813 2.695 1.00 0.00 H new ATOM 0 HA GLN A 33 9.487 4.855 2.108 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.548 5.122 4.152 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.895 4.303 4.919 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.395 6.078 4.472 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.364 6.765 3.232 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.957 7.179 4.225 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.992 8.153 5.698 1.00 0.00 H new ATOM 491 N SER A 34 9.371 2.164 4.034 1.00 0.00 N ATOM 492 CA SER A 34 10.121 0.961 4.395 1.00 0.00 C ATOM 493 C SER A 34 9.310 -0.306 4.131 1.00 0.00 C ATOM 494 O SER A 34 8.086 -0.311 4.265 1.00 0.00 O ATOM 495 CB SER A 34 10.531 1.019 5.869 1.00 0.00 C ATOM 496 OG SER A 34 11.811 0.441 6.064 1.00 0.00 O ATOM 0 H SER A 34 8.537 2.327 4.598 1.00 0.00 H new ATOM 0 HA SER A 34 11.014 0.926 3.770 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.541 2.055 6.207 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.794 0.493 6.476 1.00 0.00 H new ATOM 0 HG SER A 34 12.052 0.491 7.013 1.00 0.00 H new ATOM 502 N VAL A 35 10.008 -1.381 3.762 1.00 0.00 N ATOM 503 CA VAL A 35 9.364 -2.663 3.483 1.00 0.00 C ATOM 504 C VAL A 35 10.168 -3.822 4.068 1.00 0.00 C ATOM 505 O VAL A 35 11.385 -3.726 4.235 1.00 0.00 O ATOM 506 CB VAL A 35 9.180 -2.897 1.970 1.00 0.00 C ATOM 507 CG1 VAL A 35 8.122 -1.962 1.407 1.00 0.00 C ATOM 508 CG2 VAL A 35 10.501 -2.726 1.235 1.00 0.00 C ATOM 0 H VAL A 35 11.022 -1.388 3.650 1.00 0.00 H new ATOM 0 HA VAL A 35 8.382 -2.624 3.955 1.00 0.00 H new ATOM 0 HB VAL A 35 8.840 -3.922 1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.008 -2.143 0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.172 -2.143 1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.427 -0.928 1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.349 -2.895 0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.876 -1.715 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.226 -3.445 1.617 1.00 0.00 H new ATOM 518 N LYS A 36 9.475 -4.918 4.374 1.00 0.00 N ATOM 519 CA LYS A 36 10.111 -6.107 4.937 1.00 0.00 C ATOM 520 C LYS A 36 11.183 -6.647 3.995 1.00 0.00 C ATOM 521 O LYS A 36 10.906 -6.939 2.832 1.00 0.00 O ATOM 522 CB LYS A 36 9.063 -7.192 5.206 1.00 0.00 C ATOM 523 CG LYS A 36 8.828 -7.462 6.684 1.00 0.00 C ATOM 524 CD LYS A 36 8.066 -8.762 6.896 1.00 0.00 C ATOM 525 CE LYS A 36 7.107 -8.668 8.075 1.00 0.00 C ATOM 526 NZ LYS A 36 5.893 -9.510 7.875 1.00 0.00 N ATOM 0 H LYS A 36 8.468 -5.007 4.240 1.00 0.00 H new ATOM 0 HA LYS A 36 10.585 -5.825 5.877 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.120 -6.896 4.745 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.378 -8.117 4.722 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.785 -7.511 7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.269 -6.635 7.122 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.508 -9.008 5.992 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.773 -9.574 7.066 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.619 -8.981 8.985 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.809 -7.629 8.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.193 -9.291 8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.484 -9.313 6.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.154 -10.515 7.934 1.00 0.00 H new ATOM 540 N GLU A 37 12.407 -6.778 4.505 1.00 0.00 N ATOM 541 CA GLU A 37 13.524 -7.284 3.708 1.00 0.00 C ATOM 542 C GLU A 37 13.317 -8.750 3.322 1.00 0.00 C ATOM 543 O GLU A 37 13.697 -9.166 2.227 1.00 0.00 O ATOM 544 CB GLU A 37 14.840 -7.128 4.475 1.00 0.00 C ATOM 545 CG GLU A 37 15.435 -5.731 4.386 1.00 0.00 C ATOM 546 CD GLU A 37 16.308 -5.544 3.159 1.00 0.00 C ATOM 547 OE1 GLU A 37 15.765 -5.574 2.033 1.00 0.00 O ATOM 548 OE2 GLU A 37 17.533 -5.367 3.323 1.00 0.00 O ATOM 0 H GLU A 37 12.650 -6.541 5.467 1.00 0.00 H new ATOM 0 HA GLU A 37 13.570 -6.695 2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.672 -7.376 5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.563 -7.847 4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.629 -4.998 4.369 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.026 -5.534 5.281 1.00 0.00 H new ATOM 555 N ASP A 38 12.715 -9.527 4.224 1.00 0.00 N ATOM 556 CA ASP A 38 12.465 -10.943 3.970 1.00 0.00 C ATOM 557 C ASP A 38 11.010 -11.308 4.269 1.00 0.00 C ATOM 558 O ASP A 38 10.733 -12.220 5.051 1.00 0.00 O ATOM 559 CB ASP A 38 13.413 -11.803 4.811 1.00 0.00 C ATOM 560 CG ASP A 38 14.692 -12.143 4.072 1.00 0.00 C ATOM 561 OD1 ASP A 38 15.494 -11.220 3.819 1.00 0.00 O ATOM 562 OD2 ASP A 38 14.892 -13.332 3.744 1.00 0.00 O ATOM 0 H ASP A 38 12.393 -9.199 5.134 1.00 0.00 H new ATOM 0 HA ASP A 38 12.650 -11.138 2.914 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.658 -11.274 5.732 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.906 -12.724 5.097 1.00 0.00 H new ATOM 567 N GLY A 39 10.082 -10.590 3.637 1.00 0.00 N ATOM 568 CA GLY A 39 8.668 -10.854 3.847 1.00 0.00 C ATOM 569 C GLY A 39 7.837 -10.622 2.600 1.00 0.00 C ATOM 570 O GLY A 39 8.382 -10.392 1.516 1.00 0.00 O ATOM 0 H GLY A 39 10.284 -9.832 2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.540 -11.885 4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.299 -10.215 4.649 1.00 0.00 H new ATOM 574 N ALA A 40 6.512 -10.675 2.756 1.00 0.00 N ATOM 575 CA ALA A 40 5.589 -10.466 1.640 1.00 0.00 C ATOM 576 C ALA A 40 5.885 -9.159 0.904 1.00 0.00 C ATOM 577 O ALA A 40 5.742 -9.083 -0.316 1.00 0.00 O ATOM 578 CB ALA A 40 4.150 -10.475 2.134 1.00 0.00 C ATOM 0 H ALA A 40 6.054 -10.862 3.648 1.00 0.00 H new ATOM 0 HA ALA A 40 5.730 -11.286 0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.475 -10.318 1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.931 -11.436 2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.011 -9.677 2.864 1.00 0.00 H new ATOM 584 N ALA A 41 6.300 -8.133 1.651 1.00 0.00 N ATOM 585 CA ALA A 41 6.620 -6.835 1.061 1.00 0.00 C ATOM 586 C ALA A 41 7.671 -6.979 -0.041 1.00 0.00 C ATOM 587 O ALA A 41 7.411 -6.652 -1.201 1.00 0.00 O ATOM 588 CB ALA A 41 7.094 -5.865 2.135 1.00 0.00 C ATOM 0 H ALA A 41 6.421 -8.178 2.663 1.00 0.00 H new ATOM 0 HA ALA A 41 5.713 -6.433 0.609 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.328 -4.903 1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.308 -5.732 2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.986 -6.264 2.618 1.00 0.00 H new ATOM 594 N MET A 42 8.853 -7.481 0.322 1.00 0.00 N ATOM 595 CA MET A 42 9.933 -7.675 -0.645 1.00 0.00 C ATOM 596 C MET A 42 9.607 -8.813 -1.613 1.00 0.00 C ATOM 597 O MET A 42 9.862 -8.704 -2.813 1.00 0.00 O ATOM 598 CB MET A 42 11.256 -7.964 0.071 1.00 0.00 C ATOM 599 CG MET A 42 12.187 -6.763 0.146 1.00 0.00 C ATOM 600 SD MET A 42 13.035 -6.446 -1.413 1.00 0.00 S ATOM 601 CE MET A 42 14.284 -5.273 -0.892 1.00 0.00 C ATOM 0 H MET A 42 9.085 -7.759 1.275 1.00 0.00 H new ATOM 0 HA MET A 42 10.034 -6.752 -1.216 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.043 -8.311 1.082 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.767 -8.777 -0.444 1.00 0.00 H new ATOM 0 HG2 MET A 42 11.614 -5.880 0.430 1.00 0.00 H new ATOM 0 HG3 MET A 42 12.926 -6.929 0.930 1.00 0.00 H new ATOM 0 HE1 MET A 42 14.648 -4.720 -1.758 1.00 0.00 H new ATOM 0 HE2 MET A 42 13.852 -4.577 -0.173 1.00 0.00 H new ATOM 0 HE3 MET A 42 15.113 -5.807 -0.428 1.00 0.00 H new ATOM 611 N ARG A 43 9.041 -9.905 -1.089 1.00 0.00 N ATOM 612 CA ARG A 43 8.683 -11.055 -1.921 1.00 0.00 C ATOM 613 C ARG A 43 7.698 -10.658 -3.026 1.00 0.00 C ATOM 614 O ARG A 43 7.758 -11.187 -4.135 1.00 0.00 O ATOM 615 CB ARG A 43 8.084 -12.180 -1.066 1.00 0.00 C ATOM 616 CG ARG A 43 8.434 -13.572 -1.574 1.00 0.00 C ATOM 617 CD ARG A 43 7.912 -14.661 -0.647 1.00 0.00 C ATOM 618 NE ARG A 43 8.673 -14.737 0.601 1.00 0.00 N ATOM 619 CZ ARG A 43 8.641 -15.783 1.432 1.00 0.00 C ATOM 620 NH1 ARG A 43 7.894 -16.848 1.152 1.00 0.00 N ATOM 621 NH2 ARG A 43 9.362 -15.764 2.548 1.00 0.00 N ATOM 0 H ARG A 43 8.823 -10.015 -0.099 1.00 0.00 H new ATOM 0 HA ARG A 43 9.598 -11.417 -2.390 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.438 -12.075 -0.040 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.000 -12.071 -1.042 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.015 -13.711 -2.570 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.516 -13.663 -1.668 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.863 -14.470 -0.420 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.958 -15.623 -1.158 1.00 0.00 H new ATOM 0 HE ARG A 43 9.263 -13.944 0.851 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.339 -16.871 0.297 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.876 -17.641 1.793 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.938 -14.952 2.769 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.339 -16.561 3.184 1.00 0.00 H new ATOM 635 N ALA A 44 6.797 -9.723 -2.719 1.00 0.00 N ATOM 636 CA ALA A 44 5.807 -9.259 -3.694 1.00 0.00 C ATOM 637 C ALA A 44 6.422 -8.306 -4.727 1.00 0.00 C ATOM 638 O ALA A 44 5.801 -8.010 -5.750 1.00 0.00 O ATOM 639 CB ALA A 44 4.638 -8.589 -2.984 1.00 0.00 C ATOM 0 H ALA A 44 6.732 -9.273 -1.806 1.00 0.00 H new ATOM 0 HA ALA A 44 5.444 -10.134 -4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.911 -8.249 -3.721 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.165 -9.302 -2.309 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.001 -7.735 -2.412 1.00 0.00 H new ATOM 645 N GLY A 45 7.639 -7.828 -4.457 1.00 0.00 N ATOM 646 CA GLY A 45 8.309 -6.916 -5.372 1.00 0.00 C ATOM 647 C GLY A 45 8.315 -5.476 -4.880 1.00 0.00 C ATOM 648 O GLY A 45 8.620 -4.559 -5.645 1.00 0.00 O ATOM 0 H GLY A 45 8.172 -8.058 -3.619 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.337 -7.248 -5.519 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.818 -6.960 -6.344 1.00 0.00 H new ATOM 652 N VAL A 46 7.980 -5.274 -3.604 1.00 0.00 N ATOM 653 CA VAL A 46 7.954 -3.938 -3.017 1.00 0.00 C ATOM 654 C VAL A 46 9.269 -3.636 -2.302 1.00 0.00 C ATOM 655 O VAL A 46 9.655 -4.343 -1.369 1.00 0.00 O ATOM 656 CB VAL A 46 6.782 -3.780 -2.023 1.00 0.00 C ATOM 657 CG1 VAL A 46 6.618 -2.324 -1.610 1.00 0.00 C ATOM 658 CG2 VAL A 46 5.491 -4.316 -2.628 1.00 0.00 C ATOM 0 H VAL A 46 7.723 -6.021 -2.959 1.00 0.00 H new ATOM 0 HA VAL A 46 7.815 -3.230 -3.834 1.00 0.00 H new ATOM 0 HB VAL A 46 7.010 -4.363 -1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.787 -2.236 -0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.534 -1.976 -1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.415 -1.716 -2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.677 -4.196 -1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.259 -3.763 -3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.612 -5.373 -2.866 1.00 0.00 H new ATOM 668 N GLN A 47 9.951 -2.583 -2.747 1.00 0.00 N ATOM 669 CA GLN A 47 11.225 -2.179 -2.156 1.00 0.00 C ATOM 670 C GLN A 47 11.032 -0.981 -1.224 1.00 0.00 C ATOM 671 O GLN A 47 9.969 -0.358 -1.215 1.00 0.00 O ATOM 672 CB GLN A 47 12.232 -1.832 -3.259 1.00 0.00 C ATOM 673 CG GLN A 47 13.680 -1.838 -2.792 1.00 0.00 C ATOM 674 CD GLN A 47 14.655 -2.238 -3.886 1.00 0.00 C ATOM 675 OE1 GLN A 47 14.297 -2.311 -5.063 1.00 0.00 O ATOM 676 NE2 GLN A 47 15.900 -2.499 -3.503 1.00 0.00 N ATOM 0 H GLN A 47 9.641 -1.992 -3.518 1.00 0.00 H new ATOM 0 HA GLN A 47 11.613 -3.013 -1.571 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.121 -2.544 -4.077 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.993 -0.847 -3.659 1.00 0.00 H new ATOM 0 HG2 GLN A 47 13.942 -0.846 -2.425 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.782 -2.526 -1.953 1.00 0.00 H new ATOM 0 HE21 GLN A 47 16.156 -2.427 -2.518 1.00 0.00 H new ATOM 0 HE22 GLN A 47 16.600 -2.771 -4.194 1.00 0.00 H new ATOM 685 N THR A 48 12.066 -0.669 -0.438 1.00 0.00 N ATOM 686 CA THR A 48 12.013 0.453 0.501 1.00 0.00 C ATOM 687 C THR A 48 12.165 1.789 -0.237 1.00 0.00 C ATOM 688 O THR A 48 13.180 2.477 -0.102 1.00 0.00 O ATOM 689 CB THR A 48 13.094 0.289 1.590 1.00 0.00 C ATOM 690 OG1 THR A 48 13.084 1.382 2.491 1.00 0.00 O ATOM 691 CG2 THR A 48 14.506 0.163 1.048 1.00 0.00 C ATOM 0 H THR A 48 12.950 -1.178 -0.434 1.00 0.00 H new ATOM 0 HA THR A 48 11.038 0.455 0.987 1.00 0.00 H new ATOM 0 HB THR A 48 12.833 -0.643 2.091 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.242 1.875 2.397 1.00 0.00 H new ATOM 0 HG21 THR A 48 15.205 0.051 1.877 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.570 -0.710 0.399 1.00 0.00 H new ATOM 0 HG23 THR A 48 14.758 1.057 0.478 1.00 0.00 H new ATOM 699 N GLY A 49 11.145 2.148 -1.018 1.00 0.00 N ATOM 700 CA GLY A 49 11.179 3.395 -1.764 1.00 0.00 C ATOM 701 C GLY A 49 10.400 3.328 -3.067 1.00 0.00 C ATOM 702 O GLY A 49 10.925 3.677 -4.126 1.00 0.00 O ATOM 0 H GLY A 49 10.297 1.596 -1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.772 4.194 -1.144 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.215 3.655 -1.979 1.00 0.00 H new ATOM 706 N ASP A 50 9.144 2.884 -2.991 1.00 0.00 N ATOM 707 CA ASP A 50 8.285 2.777 -4.173 1.00 0.00 C ATOM 708 C ASP A 50 7.248 3.899 -4.193 1.00 0.00 C ATOM 709 O ASP A 50 7.145 4.678 -3.244 1.00 0.00 O ATOM 710 CB ASP A 50 7.579 1.414 -4.203 1.00 0.00 C ATOM 711 CG ASP A 50 8.538 0.234 -4.241 1.00 0.00 C ATOM 712 OD1 ASP A 50 9.748 0.444 -4.472 1.00 0.00 O ATOM 713 OD2 ASP A 50 8.074 -0.909 -4.040 1.00 0.00 O ATOM 0 H ASP A 50 8.698 2.592 -2.121 1.00 0.00 H new ATOM 0 HA ASP A 50 8.916 2.869 -5.057 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.941 1.325 -3.324 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.927 1.371 -5.076 1.00 0.00 H new ATOM 718 N ARG A 51 6.478 3.975 -5.281 1.00 0.00 N ATOM 719 CA ARG A 51 5.444 5.003 -5.418 1.00 0.00 C ATOM 720 C ARG A 51 4.101 4.381 -5.800 1.00 0.00 C ATOM 721 O ARG A 51 3.723 4.367 -6.972 1.00 0.00 O ATOM 722 CB ARG A 51 5.859 6.043 -6.462 1.00 0.00 C ATOM 723 CG ARG A 51 6.109 7.424 -5.877 1.00 0.00 C ATOM 724 CD ARG A 51 4.877 8.311 -5.984 1.00 0.00 C ATOM 725 NE ARG A 51 4.737 8.898 -7.316 1.00 0.00 N ATOM 726 CZ ARG A 51 5.551 9.836 -7.811 1.00 0.00 C ATOM 727 NH1 ARG A 51 6.551 10.315 -7.074 1.00 0.00 N ATOM 728 NH2 ARG A 51 5.362 10.296 -9.043 1.00 0.00 N ATOM 0 H ARG A 51 6.550 3.340 -6.076 1.00 0.00 H new ATOM 0 HA ARG A 51 5.331 5.497 -4.453 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.764 5.701 -6.964 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.080 6.114 -7.221 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.400 7.329 -4.831 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.943 7.895 -6.398 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.988 7.725 -5.751 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.938 9.107 -5.242 1.00 0.00 H new ATOM 0 HE ARG A 51 3.970 8.571 -7.904 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.699 9.966 -6.127 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.169 11.031 -7.456 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.596 9.934 -9.611 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.983 11.012 -9.421 1.00 0.00 H new ATOM 742 N ILE A 52 3.379 3.867 -4.803 1.00 0.00 N ATOM 743 CA ILE A 52 2.079 3.247 -5.043 1.00 0.00 C ATOM 744 C ILE A 52 1.026 4.298 -5.410 1.00 0.00 C ATOM 745 O ILE A 52 0.874 5.323 -4.736 1.00 0.00 O ATOM 746 CB ILE A 52 1.611 2.396 -3.831 1.00 0.00 C ATOM 747 CG1 ILE A 52 0.200 1.828 -4.069 1.00 0.00 C ATOM 748 CG2 ILE A 52 1.677 3.192 -2.535 1.00 0.00 C ATOM 749 CD1 ILE A 52 -0.927 2.793 -3.760 1.00 0.00 C ATOM 0 H ILE A 52 3.673 3.869 -3.826 1.00 0.00 H new ATOM 0 HA ILE A 52 2.197 2.571 -5.890 1.00 0.00 H new ATOM 0 HB ILE A 52 2.297 1.555 -3.731 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.119 1.516 -5.110 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.074 0.934 -3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.343 2.567 -1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.703 3.512 -2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.032 4.067 -2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.884 2.309 -3.956 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.877 3.087 -2.712 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.832 3.677 -4.390 1.00 0.00 H new ATOM 761 N ILE A 53 0.311 4.039 -6.502 1.00 0.00 N ATOM 762 CA ILE A 53 -0.718 4.955 -6.984 1.00 0.00 C ATOM 763 C ILE A 53 -2.114 4.328 -6.911 1.00 0.00 C ATOM 764 O ILE A 53 -3.097 5.029 -6.657 1.00 0.00 O ATOM 765 CB ILE A 53 -0.431 5.402 -8.435 1.00 0.00 C ATOM 766 CG1 ILE A 53 0.993 5.959 -8.554 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.446 6.443 -8.890 1.00 0.00 C ATOM 768 CD1 ILE A 53 1.922 5.090 -9.375 1.00 0.00 C ATOM 0 H ILE A 53 0.426 3.200 -7.071 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.694 5.827 -6.330 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.519 4.530 -9.083 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.949 6.952 -9.002 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.411 6.079 -7.555 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.225 6.743 -9.914 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.449 6.018 -8.845 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.392 7.314 -8.237 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.910 5.549 -9.414 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.998 4.104 -8.917 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.528 4.991 -10.386 1.00 0.00 H new ATOM 780 N LYS A 54 -2.206 3.014 -7.134 1.00 0.00 N ATOM 781 CA LYS A 54 -3.497 2.327 -7.091 1.00 0.00 C ATOM 782 C LYS A 54 -3.451 1.089 -6.196 1.00 0.00 C ATOM 783 O LYS A 54 -2.387 0.512 -5.970 1.00 0.00 O ATOM 784 CB LYS A 54 -3.934 1.927 -8.504 1.00 0.00 C ATOM 785 CG LYS A 54 -5.374 2.297 -8.828 1.00 0.00 C ATOM 786 CD LYS A 54 -5.822 1.704 -10.156 1.00 0.00 C ATOM 787 CE LYS A 54 -5.102 2.353 -11.331 1.00 0.00 C ATOM 788 NZ LYS A 54 -5.998 2.536 -12.508 1.00 0.00 N ATOM 0 H LYS A 54 -1.410 2.411 -7.344 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.222 3.022 -6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.274 2.405 -9.228 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.810 0.851 -8.622 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.029 1.943 -8.032 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.472 3.382 -8.862 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.631 0.631 -10.159 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.898 1.836 -10.270 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.707 3.321 -11.023 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.249 1.737 -11.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.466 2.981 -13.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.355 1.610 -12.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.799 3.145 -12.244 1.00 0.00 H new ATOM 802 N VAL A 55 -4.621 0.684 -5.698 1.00 0.00 N ATOM 803 CA VAL A 55 -4.733 -0.490 -4.835 1.00 0.00 C ATOM 804 C VAL A 55 -5.987 -1.300 -5.180 1.00 0.00 C ATOM 805 O VAL A 55 -7.107 -0.900 -4.854 1.00 0.00 O ATOM 806 CB VAL A 55 -4.754 -0.098 -3.338 1.00 0.00 C ATOM 807 CG1 VAL A 55 -3.410 0.486 -2.924 1.00 0.00 C ATOM 808 CG2 VAL A 55 -5.879 0.884 -3.043 1.00 0.00 C ATOM 0 H VAL A 55 -5.507 1.155 -5.880 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.851 -1.106 -5.012 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.937 -1.000 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.441 0.757 -1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.626 -0.254 -3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.200 1.374 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.869 1.141 -1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.739 1.787 -3.637 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.836 0.428 -3.297 1.00 0.00 H new ATOM 818 N ASN A 56 -5.785 -2.435 -5.856 1.00 0.00 N ATOM 819 CA ASN A 56 -6.888 -3.307 -6.267 1.00 0.00 C ATOM 820 C ASN A 56 -7.867 -2.561 -7.179 1.00 0.00 C ATOM 821 O ASN A 56 -9.081 -2.596 -6.970 1.00 0.00 O ATOM 822 CB ASN A 56 -7.618 -3.873 -5.040 1.00 0.00 C ATOM 823 CG ASN A 56 -7.289 -5.336 -4.792 1.00 0.00 C ATOM 824 OD1 ASN A 56 -6.214 -5.811 -5.155 1.00 0.00 O ATOM 825 ND2 ASN A 56 -8.216 -6.062 -4.175 1.00 0.00 N ATOM 0 H ASN A 56 -4.862 -2.772 -6.131 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.467 -4.139 -6.831 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.349 -3.289 -4.160 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.694 -3.764 -5.179 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.048 -7.050 -3.987 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.095 -5.631 -3.890 1.00 0.00 H new ATOM 832 N GLY A 57 -7.324 -1.881 -8.191 1.00 0.00 N ATOM 833 CA GLY A 57 -8.155 -1.129 -9.119 1.00 0.00 C ATOM 834 C GLY A 57 -8.859 0.046 -8.456 1.00 0.00 C ATOM 835 O GLY A 57 -9.901 0.499 -8.934 1.00 0.00 O ATOM 0 H GLY A 57 -6.323 -1.838 -8.383 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.537 -0.762 -9.938 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.900 -1.795 -9.555 1.00 0.00 H new ATOM 839 N THR A 58 -8.293 0.535 -7.353 1.00 0.00 N ATOM 840 CA THR A 58 -8.874 1.657 -6.622 1.00 0.00 C ATOM 841 C THR A 58 -7.847 2.778 -6.475 1.00 0.00 C ATOM 842 O THR A 58 -6.928 2.687 -5.660 1.00 0.00 O ATOM 843 CB THR A 58 -9.365 1.197 -5.239 1.00 0.00 C ATOM 844 OG1 THR A 58 -9.750 -0.169 -5.262 1.00 0.00 O ATOM 845 CG2 THR A 58 -10.546 1.991 -4.723 1.00 0.00 C ATOM 0 H THR A 58 -7.431 0.170 -6.947 1.00 0.00 H new ATOM 0 HA THR A 58 -9.727 2.036 -7.184 1.00 0.00 H new ATOM 0 HB THR A 58 -8.517 1.358 -4.573 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.962 -0.733 -5.117 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.839 1.612 -3.744 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.269 3.042 -4.638 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.382 1.891 -5.415 1.00 0.00 H new ATOM 853 N LEU A 59 -8.006 3.830 -7.281 1.00 0.00 N ATOM 854 CA LEU A 59 -7.088 4.968 -7.250 1.00 0.00 C ATOM 855 C LEU A 59 -7.171 5.699 -5.914 1.00 0.00 C ATOM 856 O LEU A 59 -8.262 5.984 -5.420 1.00 0.00 O ATOM 857 CB LEU A 59 -7.391 5.933 -8.401 1.00 0.00 C ATOM 858 CG LEU A 59 -6.244 6.130 -9.395 1.00 0.00 C ATOM 859 CD1 LEU A 59 -6.778 6.278 -10.812 1.00 0.00 C ATOM 860 CD2 LEU A 59 -5.405 7.340 -9.008 1.00 0.00 C ATOM 0 H LEU A 59 -8.761 3.916 -7.962 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.074 4.587 -7.369 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.263 5.567 -8.943 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.660 6.903 -7.982 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.608 5.246 -9.363 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.946 6.417 -11.502 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.332 5.381 -11.088 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.440 7.143 -10.863 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.594 7.465 -9.726 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.031 8.232 -9.009 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.988 7.190 -8.012 1.00 0.00 H new ATOM 872 N VAL A 60 -6.008 5.994 -5.333 1.00 0.00 N ATOM 873 CA VAL A 60 -5.944 6.685 -4.044 1.00 0.00 C ATOM 874 C VAL A 60 -6.338 8.160 -4.147 1.00 0.00 C ATOM 875 O VAL A 60 -6.507 8.829 -3.127 1.00 0.00 O ATOM 876 CB VAL A 60 -4.541 6.582 -3.408 1.00 0.00 C ATOM 877 CG1 VAL A 60 -4.278 5.166 -2.920 1.00 0.00 C ATOM 878 CG2 VAL A 60 -3.462 7.032 -4.385 1.00 0.00 C ATOM 0 H VAL A 60 -5.098 5.766 -5.734 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.668 6.178 -3.406 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.509 7.251 -2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.284 5.113 -2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.025 4.894 -2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.336 4.475 -3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.484 6.949 -3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.489 6.401 -5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.640 8.069 -4.671 1.00 0.00 H new ATOM 888 N THR A 61 -6.495 8.661 -5.373 1.00 0.00 N ATOM 889 CA THR A 61 -6.884 10.056 -5.585 1.00 0.00 C ATOM 890 C THR A 61 -8.236 10.347 -4.935 1.00 0.00 C ATOM 891 O THR A 61 -8.478 11.457 -4.458 1.00 0.00 O ATOM 892 CB THR A 61 -6.950 10.377 -7.082 1.00 0.00 C ATOM 893 OG1 THR A 61 -7.422 9.261 -7.819 1.00 0.00 O ATOM 894 CG2 THR A 61 -5.615 10.787 -7.666 1.00 0.00 C ATOM 0 H THR A 61 -6.360 8.125 -6.230 1.00 0.00 H new ATOM 0 HA THR A 61 -6.127 10.688 -5.120 1.00 0.00 H new ATOM 0 HB THR A 61 -7.637 11.219 -7.165 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.609 9.534 -8.741 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.733 11.000 -8.728 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.253 11.679 -7.155 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.897 9.978 -7.536 1.00 0.00 H new ATOM 902 N HIS A 62 -9.110 9.339 -4.919 1.00 0.00 N ATOM 903 CA HIS A 62 -10.439 9.477 -4.326 1.00 0.00 C ATOM 904 C HIS A 62 -10.577 8.605 -3.073 1.00 0.00 C ATOM 905 O HIS A 62 -11.665 8.117 -2.762 1.00 0.00 O ATOM 906 CB HIS A 62 -11.518 9.103 -5.350 1.00 0.00 C ATOM 907 CG HIS A 62 -11.291 7.778 -6.018 1.00 0.00 C ATOM 908 ND1 HIS A 62 -11.704 6.579 -5.475 1.00 0.00 N ATOM 909 CD2 HIS A 62 -10.695 7.470 -7.195 1.00 0.00 C ATOM 910 CE1 HIS A 62 -11.369 5.591 -6.287 1.00 0.00 C ATOM 911 NE2 HIS A 62 -10.757 6.105 -7.338 1.00 0.00 N ATOM 0 H HIS A 62 -8.920 8.417 -5.311 1.00 0.00 H new ATOM 0 HA HIS A 62 -10.572 10.518 -4.032 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -12.487 9.086 -4.852 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -11.565 9.880 -6.113 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -10.253 8.168 -7.891 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -11.563 4.542 -6.119 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -10.390 5.575 -8.128 1.00 0.00 H new ATOM 920 N SER A 63 -9.468 8.411 -2.357 1.00 0.00 N ATOM 921 CA SER A 63 -9.472 7.598 -1.144 1.00 0.00 C ATOM 922 C SER A 63 -8.632 8.246 -0.046 1.00 0.00 C ATOM 923 O SER A 63 -7.506 8.683 -0.291 1.00 0.00 O ATOM 924 CB SER A 63 -8.946 6.189 -1.444 1.00 0.00 C ATOM 925 OG SER A 63 -9.428 5.712 -2.691 1.00 0.00 O ATOM 0 H SER A 63 -8.559 8.806 -2.597 1.00 0.00 H new ATOM 0 HA SER A 63 -10.501 7.526 -0.791 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.856 6.200 -1.453 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.251 5.508 -0.649 1.00 0.00 H new ATOM 0 HG SER A 63 -8.824 6.000 -3.407 1.00 0.00 H new ATOM 931 N ASN A 64 -9.189 8.306 1.165 1.00 0.00 N ATOM 932 CA ASN A 64 -8.495 8.902 2.307 1.00 0.00 C ATOM 933 C ASN A 64 -7.560 7.892 2.972 1.00 0.00 C ATOM 934 O ASN A 64 -7.428 6.755 2.513 1.00 0.00 O ATOM 935 CB ASN A 64 -9.511 9.431 3.328 1.00 0.00 C ATOM 936 CG ASN A 64 -9.638 10.943 3.286 1.00 0.00 C ATOM 937 OD1 ASN A 64 -8.663 11.664 3.506 1.00 0.00 O ATOM 938 ND2 ASN A 64 -10.841 11.434 3.004 1.00 0.00 N ATOM 0 H ASN A 64 -10.120 7.949 1.380 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.892 9.733 1.940 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.485 8.982 3.134 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.211 9.122 4.329 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.983 12.443 2.963 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.622 10.801 2.828 1.00 0.00 H new ATOM 945 N HIS A 65 -6.909 8.315 4.059 1.00 0.00 N ATOM 946 CA HIS A 65 -5.982 7.451 4.790 1.00 0.00 C ATOM 947 C HIS A 65 -6.678 6.170 5.251 1.00 0.00 C ATOM 948 O HIS A 65 -6.335 5.076 4.805 1.00 0.00 O ATOM 949 CB HIS A 65 -5.399 8.196 5.996 1.00 0.00 C ATOM 950 CG HIS A 65 -4.550 7.338 6.882 1.00 0.00 C ATOM 951 ND1 HIS A 65 -5.074 6.451 7.799 1.00 0.00 N ATOM 952 CD2 HIS A 65 -3.206 7.228 6.983 1.00 0.00 C ATOM 953 CE1 HIS A 65 -4.092 5.834 8.423 1.00 0.00 C ATOM 954 NE2 HIS A 65 -2.948 6.286 7.947 1.00 0.00 N ATOM 0 H HIS A 65 -7.008 9.251 4.451 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.170 7.177 4.116 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -4.803 9.036 5.639 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -6.217 8.613 6.584 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -2.473 7.778 6.412 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.204 5.085 9.193 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.021 5.984 8.247 1.00 0.00 H new ATOM 963 N LEU A 66 -7.651 6.319 6.150 1.00 0.00 N ATOM 964 CA LEU A 66 -8.394 5.175 6.679 1.00 0.00 C ATOM 965 C LEU A 66 -9.077 4.381 5.563 1.00 0.00 C ATOM 966 O LEU A 66 -9.296 3.178 5.701 1.00 0.00 O ATOM 967 CB LEU A 66 -9.438 5.635 7.705 1.00 0.00 C ATOM 968 CG LEU A 66 -8.950 5.677 9.157 1.00 0.00 C ATOM 969 CD1 LEU A 66 -8.170 6.956 9.427 1.00 0.00 C ATOM 970 CD2 LEU A 66 -10.125 5.554 10.119 1.00 0.00 C ATOM 0 H LEU A 66 -7.943 7.221 6.527 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.674 4.520 7.170 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.785 6.630 7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.299 4.969 7.647 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.282 4.830 9.317 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.833 6.965 10.464 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.306 7.002 8.764 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.812 7.818 9.247 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.760 5.586 11.145 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.818 6.379 9.955 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.639 4.609 9.946 1.00 0.00 H new ATOM 982 N GLU A 67 -9.411 5.052 4.459 1.00 0.00 N ATOM 983 CA GLU A 67 -10.066 4.389 3.333 1.00 0.00 C ATOM 984 C GLU A 67 -9.144 3.358 2.683 1.00 0.00 C ATOM 985 O GLU A 67 -9.538 2.207 2.478 1.00 0.00 O ATOM 986 CB GLU A 67 -10.516 5.415 2.288 1.00 0.00 C ATOM 987 CG GLU A 67 -11.731 6.225 2.712 1.00 0.00 C ATOM 988 CD GLU A 67 -12.986 5.379 2.807 1.00 0.00 C ATOM 989 OE1 GLU A 67 -13.244 4.817 3.891 1.00 0.00 O ATOM 990 OE2 GLU A 67 -13.710 5.276 1.794 1.00 0.00 O ATOM 0 H GLU A 67 -9.239 6.048 4.322 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.942 3.870 3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.690 6.096 2.081 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.743 4.896 1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.535 6.689 3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.893 7.032 1.998 1.00 0.00 H new ATOM 997 N VAL A 68 -7.918 3.774 2.358 1.00 0.00 N ATOM 998 CA VAL A 68 -6.948 2.878 1.726 1.00 0.00 C ATOM 999 C VAL A 68 -6.629 1.685 2.627 1.00 0.00 C ATOM 1000 O VAL A 68 -6.726 0.535 2.198 1.00 0.00 O ATOM 1001 CB VAL A 68 -5.633 3.610 1.369 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -4.702 2.691 0.586 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -5.917 4.883 0.581 1.00 0.00 C ATOM 0 H VAL A 68 -7.575 4.721 2.521 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.410 2.523 0.805 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.138 3.890 2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.783 3.225 0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.465 1.814 1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.192 2.376 -0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.977 5.380 0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.439 4.631 -0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.538 5.550 1.179 1.00 0.00 H new ATOM 1013 N VAL A 69 -6.251 1.964 3.874 1.00 0.00 N ATOM 1014 CA VAL A 69 -5.921 0.907 4.827 1.00 0.00 C ATOM 1015 C VAL A 69 -7.101 -0.050 5.025 1.00 0.00 C ATOM 1016 O VAL A 69 -6.915 -1.268 5.073 1.00 0.00 O ATOM 1017 CB VAL A 69 -5.477 1.490 6.192 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -6.591 2.300 6.835 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -5.005 0.383 7.125 1.00 0.00 C ATOM 0 H VAL A 69 -6.166 2.910 4.246 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.086 0.348 4.406 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.640 2.163 6.009 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.248 2.695 7.791 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.866 3.126 6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.459 1.661 6.997 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.698 0.816 8.077 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.818 -0.323 7.293 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.160 -0.137 6.674 1.00 0.00 H new ATOM 1029 N LYS A 70 -8.313 0.504 5.123 1.00 0.00 N ATOM 1030 CA LYS A 70 -9.518 -0.307 5.301 1.00 0.00 C ATOM 1031 C LYS A 70 -9.715 -1.261 4.122 1.00 0.00 C ATOM 1032 O LYS A 70 -10.076 -2.423 4.310 1.00 0.00 O ATOM 1033 CB LYS A 70 -10.750 0.592 5.461 1.00 0.00 C ATOM 1034 CG LYS A 70 -12.017 -0.158 5.854 1.00 0.00 C ATOM 1035 CD LYS A 70 -13.166 0.151 4.903 1.00 0.00 C ATOM 1036 CE LYS A 70 -14.474 0.369 5.652 1.00 0.00 C ATOM 1037 NZ LYS A 70 -15.303 -0.870 5.706 1.00 0.00 N ATOM 0 H LYS A 70 -8.484 1.509 5.082 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.393 -0.901 6.207 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.539 1.349 6.216 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.928 1.118 4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.821 -1.230 5.854 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.301 0.114 6.871 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.927 1.041 4.321 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.284 -0.670 4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.259 0.705 6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.041 1.163 5.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.183 -0.676 6.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.531 -1.177 4.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.773 -1.621 6.192 1.00 0.00 H new ATOM 1051 N LEU A 71 -9.471 -0.764 2.909 1.00 0.00 N ATOM 1052 CA LEU A 71 -9.619 -1.576 1.702 1.00 0.00 C ATOM 1053 C LEU A 71 -8.546 -2.662 1.633 1.00 0.00 C ATOM 1054 O LEU A 71 -8.853 -3.827 1.379 1.00 0.00 O ATOM 1055 CB LEU A 71 -9.554 -0.695 0.448 1.00 0.00 C ATOM 1056 CG LEU A 71 -10.847 0.056 0.109 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -10.588 1.116 -0.953 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -11.922 -0.917 -0.356 1.00 0.00 C ATOM 0 H LEU A 71 -9.171 0.195 2.737 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.595 -2.060 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.753 0.033 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.283 -1.321 -0.402 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.202 0.555 1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.517 1.638 -1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.852 1.830 -0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.209 0.640 -1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.833 -0.367 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.576 -1.444 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.128 -1.637 0.436 1.00 0.00 H new ATOM 1070 N ILE A 72 -7.289 -2.277 1.864 1.00 0.00 N ATOM 1071 CA ILE A 72 -6.181 -3.233 1.828 1.00 0.00 C ATOM 1072 C ILE A 72 -6.323 -4.278 2.935 1.00 0.00 C ATOM 1073 O ILE A 72 -6.117 -5.469 2.701 1.00 0.00 O ATOM 1074 CB ILE A 72 -4.808 -2.532 1.958 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -4.644 -1.461 0.876 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -3.676 -3.551 1.870 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -4.639 -2.014 -0.534 1.00 0.00 C ATOM 0 H ILE A 72 -7.015 -1.318 2.076 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.225 -3.726 0.857 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.764 -2.047 2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.453 -0.736 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.712 -0.923 1.049 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.718 -3.040 1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.779 -4.279 2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.722 -4.063 0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.519 -1.197 -1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.813 -2.717 -0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.581 -2.527 -0.727 1.00 0.00 H new ATOM 1089 N LYS A 73 -6.685 -3.826 4.137 1.00 0.00 N ATOM 1090 CA LYS A 73 -6.862 -4.729 5.273 1.00 0.00 C ATOM 1091 C LYS A 73 -8.066 -5.650 5.070 1.00 0.00 C ATOM 1092 O LYS A 73 -8.087 -6.771 5.581 1.00 0.00 O ATOM 1093 CB LYS A 73 -7.023 -3.934 6.572 1.00 0.00 C ATOM 1094 CG LYS A 73 -6.354 -4.591 7.770 1.00 0.00 C ATOM 1095 CD LYS A 73 -6.257 -3.638 8.953 1.00 0.00 C ATOM 1096 CE LYS A 73 -5.385 -2.432 8.635 1.00 0.00 C ATOM 1097 NZ LYS A 73 -4.504 -2.060 9.778 1.00 0.00 N ATOM 0 H LYS A 73 -6.861 -2.844 4.348 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.968 -5.349 5.344 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.605 -2.937 6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.085 -3.808 6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.918 -5.477 8.062 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.355 -4.927 7.490 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.256 -3.302 9.232 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.847 -4.167 9.813 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.771 -2.649 7.761 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.020 -1.584 8.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.928 -1.234 9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.089 -1.827 10.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.879 -2.859 10.009 1.00 0.00 H new ATOM 1111 N SER A 74 -9.068 -5.175 4.325 1.00 0.00 N ATOM 1112 CA SER A 74 -10.269 -5.965 4.062 1.00 0.00 C ATOM 1113 C SER A 74 -10.019 -6.994 2.957 1.00 0.00 C ATOM 1114 O SER A 74 -10.579 -6.897 1.863 1.00 0.00 O ATOM 1115 CB SER A 74 -11.435 -5.051 3.676 1.00 0.00 C ATOM 1116 OG SER A 74 -12.074 -4.524 4.826 1.00 0.00 O ATOM 0 H SER A 74 -9.070 -4.250 3.895 1.00 0.00 H new ATOM 0 HA SER A 74 -10.526 -6.500 4.976 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.070 -4.234 3.053 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.156 -5.609 3.079 1.00 0.00 H new ATOM 0 HG SER A 74 -11.650 -3.677 5.077 1.00 0.00 H new ATOM 1122 N GLY A 75 -9.169 -7.977 3.254 1.00 0.00 N ATOM 1123 CA GLY A 75 -8.855 -9.010 2.282 1.00 0.00 C ATOM 1124 C GLY A 75 -7.508 -9.658 2.546 1.00 0.00 C ATOM 1125 O GLY A 75 -6.650 -9.070 3.207 1.00 0.00 O ATOM 0 H GLY A 75 -8.693 -8.075 4.151 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.633 -9.773 2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.858 -8.578 1.281 1.00 0.00 H new ATOM 1129 N SER A 76 -7.323 -10.873 2.033 1.00 0.00 N ATOM 1130 CA SER A 76 -6.070 -11.600 2.219 1.00 0.00 C ATOM 1131 C SER A 76 -4.954 -11.001 1.363 1.00 0.00 C ATOM 1132 O SER A 76 -3.993 -10.443 1.890 1.00 0.00 O ATOM 1133 CB SER A 76 -6.255 -13.083 1.885 1.00 0.00 C ATOM 1134 OG SER A 76 -6.881 -13.773 2.954 1.00 0.00 O ATOM 0 H SER A 76 -8.024 -11.373 1.486 1.00 0.00 H new ATOM 0 HA SER A 76 -5.782 -11.509 3.266 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.857 -13.183 0.982 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.286 -13.535 1.674 1.00 0.00 H new ATOM 0 HG SER A 76 -6.989 -14.717 2.715 1.00 0.00 H new ATOM 1140 N TYR A 77 -5.088 -11.116 0.043 1.00 0.00 N ATOM 1141 CA TYR A 77 -4.086 -10.582 -0.881 1.00 0.00 C ATOM 1142 C TYR A 77 -4.690 -9.510 -1.786 1.00 0.00 C ATOM 1143 O TYR A 77 -5.897 -9.512 -2.043 1.00 0.00 O ATOM 1144 CB TYR A 77 -3.485 -11.708 -1.729 1.00 0.00 C ATOM 1145 CG TYR A 77 -4.516 -12.518 -2.478 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -5.165 -13.583 -1.866 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -4.847 -12.214 -3.792 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -6.114 -14.322 -2.543 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -5.793 -12.949 -4.475 1.00 0.00 C ATOM 1150 CZ TYR A 77 -6.426 -14.002 -3.848 1.00 0.00 C ATOM 1151 OH TYR A 77 -7.375 -14.735 -4.524 1.00 0.00 O ATOM 0 H TYR A 77 -5.879 -11.573 -0.411 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.294 -10.124 -0.288 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.784 -11.278 -2.444 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.913 -12.373 -1.082 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.923 -13.837 -0.844 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.356 -11.389 -4.287 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.610 -15.147 -2.053 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.037 -12.701 -5.497 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.477 -14.380 -5.432 1.00 0.00 H new ATOM 1161 N VAL A 78 -3.847 -8.594 -2.265 1.00 0.00 N ATOM 1162 CA VAL A 78 -4.306 -7.514 -3.139 1.00 0.00 C ATOM 1163 C VAL A 78 -3.219 -7.070 -4.120 1.00 0.00 C ATOM 1164 O VAL A 78 -2.027 -7.103 -3.806 1.00 0.00 O ATOM 1165 CB VAL A 78 -4.769 -6.285 -2.325 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -6.103 -6.559 -1.646 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -3.716 -5.889 -1.299 1.00 0.00 C ATOM 0 H VAL A 78 -2.847 -8.578 -2.064 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.148 -7.918 -3.701 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.902 -5.452 -3.016 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.410 -5.680 -1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.856 -6.784 -2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.000 -7.409 -0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.063 -5.022 -0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.545 -6.720 -0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.785 -5.642 -1.810 1.00 0.00 H new ATOM 1177 N ALA A 79 -3.651 -6.636 -5.306 1.00 0.00 N ATOM 1178 CA ALA A 79 -2.737 -6.160 -6.339 1.00 0.00 C ATOM 1179 C ALA A 79 -2.736 -4.634 -6.377 1.00 0.00 C ATOM 1180 O ALA A 79 -3.739 -4.012 -6.735 1.00 0.00 O ATOM 1181 CB ALA A 79 -3.122 -6.734 -7.696 1.00 0.00 C ATOM 0 H ALA A 79 -4.635 -6.606 -5.573 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.729 -6.500 -6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.430 -6.369 -8.455 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.076 -7.822 -7.657 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.135 -6.422 -7.949 1.00 0.00 H new ATOM 1187 N LEU A 80 -1.615 -4.035 -5.984 1.00 0.00 N ATOM 1188 CA LEU A 80 -1.491 -2.580 -5.948 1.00 0.00 C ATOM 1189 C LEU A 80 -0.620 -2.055 -7.088 1.00 0.00 C ATOM 1190 O LEU A 80 0.488 -2.542 -7.311 1.00 0.00 O ATOM 1191 CB LEU A 80 -0.898 -2.137 -4.604 1.00 0.00 C ATOM 1192 CG LEU A 80 -1.753 -2.450 -3.369 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -1.802 -3.949 -3.111 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -1.210 -1.719 -2.148 1.00 0.00 C ATOM 0 H LEU A 80 -0.778 -4.535 -5.685 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.491 -2.163 -6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.075 -2.614 -4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.724 -1.062 -4.640 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.768 -2.103 -3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.414 -4.147 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.236 -4.453 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.792 -4.322 -2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.827 -1.951 -1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.185 -2.037 -1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.229 -0.644 -2.329 1.00 0.00 H new ATOM 1206 N THR A 81 -1.121 -1.037 -7.788 1.00 0.00 N ATOM 1207 CA THR A 81 -0.382 -0.424 -8.888 1.00 0.00 C ATOM 1208 C THR A 81 0.566 0.644 -8.348 1.00 0.00 C ATOM 1209 O THR A 81 0.123 1.680 -7.835 1.00 0.00 O ATOM 1210 CB THR A 81 -1.344 0.194 -9.908 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.220 -0.787 -10.435 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.637 0.852 -11.075 1.00 0.00 C ATOM 0 H THR A 81 -2.035 -0.621 -7.612 1.00 0.00 H new ATOM 0 HA THR A 81 0.200 -1.198 -9.388 1.00 0.00 H new ATOM 0 HB THR A 81 -1.894 0.958 -9.358 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.701 -1.463 -10.919 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.376 1.269 -11.759 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.008 1.650 -10.707 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.034 0.111 -11.600 1.00 0.00 H new ATOM 1220 N VAL A 82 1.869 0.379 -8.454 1.00 0.00 N ATOM 1221 CA VAL A 82 2.885 1.307 -7.965 1.00 0.00 C ATOM 1222 C VAL A 82 3.857 1.719 -9.071 1.00 0.00 C ATOM 1223 O VAL A 82 3.797 1.206 -10.188 1.00 0.00 O ATOM 1224 CB VAL A 82 3.682 0.697 -6.787 1.00 0.00 C ATOM 1225 CG1 VAL A 82 2.742 0.057 -5.776 1.00 0.00 C ATOM 1226 CG2 VAL A 82 4.701 -0.321 -7.286 1.00 0.00 C ATOM 0 H VAL A 82 2.244 -0.471 -8.875 1.00 0.00 H new ATOM 0 HA VAL A 82 2.354 2.194 -7.619 1.00 0.00 H new ATOM 0 HB VAL A 82 4.222 1.505 -6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.323 -0.366 -4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.059 0.812 -5.386 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.170 -0.734 -6.261 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.247 -0.734 -6.438 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.185 -1.124 -7.812 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.400 0.167 -7.965 1.00 0.00 H new ATOM 1236 N GLN A 83 4.753 2.649 -8.742 1.00 0.00 N ATOM 1237 CA GLN A 83 5.746 3.139 -9.690 1.00 0.00 C ATOM 1238 C GLN A 83 7.139 3.130 -9.062 1.00 0.00 C ATOM 1239 O GLN A 83 7.294 3.407 -7.866 1.00 0.00 O ATOM 1240 CB GLN A 83 5.388 4.554 -10.154 1.00 0.00 C ATOM 1241 CG GLN A 83 6.352 5.125 -11.184 1.00 0.00 C ATOM 1242 CD GLN A 83 5.828 6.387 -11.843 1.00 0.00 C ATOM 1243 OE1 GLN A 83 6.248 7.495 -11.509 1.00 0.00 O ATOM 1244 NE2 GLN A 83 4.902 6.228 -12.783 1.00 0.00 N ATOM 0 H GLN A 83 4.809 3.079 -7.819 1.00 0.00 H new ATOM 0 HA GLN A 83 5.750 2.475 -10.555 1.00 0.00 H new ATOM 0 HB2 GLN A 83 4.383 4.544 -10.577 1.00 0.00 H new ATOM 0 HB3 GLN A 83 5.363 5.215 -9.288 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.305 5.341 -10.702 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.545 4.374 -11.950 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.581 5.292 -13.030 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.512 7.042 -13.258 1.00 0.00 H new ATOM 1253 N GLY A 84 8.146 2.812 -9.877 1.00 0.00 N ATOM 1254 CA GLY A 84 9.517 2.770 -9.395 1.00 0.00 C ATOM 1255 C GLY A 84 10.453 2.053 -10.354 1.00 0.00 C ATOM 1256 O GLY A 84 10.060 1.082 -11.005 1.00 0.00 O ATOM 0 H GLY A 84 8.035 2.582 -10.865 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.874 3.788 -9.238 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.542 2.270 -8.427 1.00 0.00 H new ATOM 1260 N ARG A 85 11.694 2.531 -10.439 1.00 0.00 N ATOM 1261 CA ARG A 85 12.690 1.930 -11.324 1.00 0.00 C ATOM 1262 C ARG A 85 13.942 1.527 -10.547 1.00 0.00 C ATOM 1263 O ARG A 85 14.326 2.192 -9.583 1.00 0.00 O ATOM 1264 CB ARG A 85 13.063 2.900 -12.447 1.00 0.00 C ATOM 1265 CG ARG A 85 12.197 2.754 -13.688 1.00 0.00 C ATOM 1266 CD ARG A 85 12.688 3.634 -14.825 1.00 0.00 C ATOM 1267 NE ARG A 85 14.069 3.332 -15.203 1.00 0.00 N ATOM 1268 CZ ARG A 85 14.435 2.254 -15.903 1.00 0.00 C ATOM 1269 NH1 ARG A 85 13.526 1.364 -16.300 1.00 0.00 N ATOM 1270 NH2 ARG A 85 15.715 2.064 -16.206 1.00 0.00 N ATOM 0 H ARG A 85 12.033 3.332 -9.906 1.00 0.00 H new ATOM 0 HA ARG A 85 12.251 1.033 -11.761 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.982 3.922 -12.076 1.00 0.00 H new ATOM 0 HB3 ARG A 85 14.106 2.742 -12.721 1.00 0.00 H new ATOM 0 HG2 ARG A 85 12.195 1.712 -14.009 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.167 3.015 -13.445 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.039 3.501 -15.691 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.615 4.681 -14.529 1.00 0.00 H new ATOM 0 HE ARG A 85 14.798 3.985 -14.914 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.542 1.503 -16.070 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.814 0.544 -16.834 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.416 2.740 -15.904 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.996 1.242 -16.740 1.00 0.00 H new ATOM 1284 N PRO A 86 14.597 0.425 -10.962 1.00 0.00 N ATOM 1285 CA PRO A 86 15.811 -0.069 -10.305 1.00 0.00 C ATOM 1286 C PRO A 86 17.040 0.786 -10.620 1.00 0.00 C ATOM 1287 O PRO A 86 17.101 1.437 -11.666 1.00 0.00 O ATOM 1288 CB PRO A 86 15.974 -1.475 -10.887 1.00 0.00 C ATOM 1289 CG PRO A 86 15.340 -1.401 -12.232 1.00 0.00 C ATOM 1290 CD PRO A 86 14.203 -0.424 -12.106 1.00 0.00 C ATOM 0 HA PRO A 86 15.725 -0.045 -9.219 1.00 0.00 H new ATOM 0 HB2 PRO A 86 17.025 -1.755 -10.959 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.488 -2.222 -10.260 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.057 -1.069 -12.983 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.979 -2.380 -12.547 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.077 0.163 -13.016 1.00 0.00 H new ATOM 0 HD3 PRO A 86 13.257 -0.932 -11.921 1.00 0.00 H new ATOM 1298 N PRO A 87 18.039 0.797 -9.715 1.00 0.00 N ATOM 1299 CA PRO A 87 19.269 1.575 -9.901 1.00 0.00 C ATOM 1300 C PRO A 87 20.168 0.991 -10.991 1.00 0.00 C ATOM 1301 O PRO A 87 20.519 -0.190 -10.951 1.00 0.00 O ATOM 1302 CB PRO A 87 19.955 1.490 -8.535 1.00 0.00 C ATOM 1303 CG PRO A 87 19.454 0.220 -7.938 1.00 0.00 C ATOM 1304 CD PRO A 87 18.047 0.047 -8.441 1.00 0.00 C ATOM 0 HA PRO A 87 19.061 2.595 -10.224 1.00 0.00 H new ATOM 0 HB2 PRO A 87 21.040 1.478 -8.637 1.00 0.00 H new ATOM 0 HB3 PRO A 87 19.703 2.347 -7.911 1.00 0.00 H new ATOM 0 HG2 PRO A 87 20.079 -0.622 -8.233 1.00 0.00 H new ATOM 0 HG3 PRO A 87 19.475 0.267 -6.849 1.00 0.00 H new ATOM 0 HD2 PRO A 87 17.802 -1.004 -8.593 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.317 0.446 -7.736 1.00 0.00 H new ATOM 1312 N GLY A 88 20.534 1.827 -11.964 1.00 0.00 N ATOM 1313 CA GLY A 88 21.387 1.378 -13.051 1.00 0.00 C ATOM 1314 C GLY A 88 22.210 2.503 -13.653 1.00 0.00 C ATOM 1315 O GLY A 88 22.833 3.280 -12.928 1.00 0.00 O ATOM 0 H GLY A 88 20.254 2.806 -12.017 1.00 0.00 H new ATOM 0 HA2 GLY A 88 22.056 0.600 -12.684 1.00 0.00 H new ATOM 0 HA3 GLY A 88 20.770 0.928 -13.829 1.00 0.00 H new ATOM 1319 N SER A 89 22.213 2.586 -14.983 1.00 0.00 N ATOM 1320 CA SER A 89 22.966 3.621 -15.690 1.00 0.00 C ATOM 1321 C SER A 89 22.218 4.085 -16.939 1.00 0.00 C ATOM 1322 O SER A 89 21.648 3.225 -17.645 1.00 0.00 O ATOM 1323 CB SER A 89 24.354 3.099 -16.075 1.00 0.00 C ATOM 1324 OG SER A 89 25.335 4.116 -15.958 1.00 0.00 O ATOM 1325 OXT SER A 89 22.211 5.306 -17.201 1.00 0.00 O ATOM 0 H SER A 89 21.702 1.948 -15.593 1.00 0.00 H new ATOM 0 HA SER A 89 23.079 4.474 -15.020 1.00 0.00 H new ATOM 0 HB2 SER A 89 24.620 2.258 -15.434 1.00 0.00 H new ATOM 0 HB3 SER A 89 24.334 2.726 -17.099 1.00 0.00 H new ATOM 0 HG SER A 89 26.211 3.755 -16.208 1.00 0.00 H new TER 1331 SER A 89 ATOM 1332 N VAL B 90 4.453 19.966 6.631 1.00 0.00 N ATOM 1333 CA VAL B 90 4.048 19.007 5.566 1.00 0.00 C ATOM 1334 C VAL B 90 3.380 17.768 6.163 1.00 0.00 C ATOM 1335 O VAL B 90 4.030 16.741 6.377 1.00 0.00 O ATOM 1336 CB VAL B 90 5.260 18.569 4.708 1.00 0.00 C ATOM 1337 CG1 VAL B 90 5.634 19.662 3.717 1.00 0.00 C ATOM 1338 CG2 VAL B 90 6.448 18.206 5.592 1.00 0.00 C ATOM 0 HA VAL B 90 3.333 19.527 4.928 1.00 0.00 H new ATOM 0 HB VAL B 90 4.978 17.679 4.145 1.00 0.00 H new ATOM 0 HG11 VAL B 90 6.488 19.337 3.122 1.00 0.00 H new ATOM 0 HG12 VAL B 90 4.788 19.862 3.059 1.00 0.00 H new ATOM 0 HG13 VAL B 90 5.894 20.571 4.259 1.00 0.00 H new ATOM 0 HG21 VAL B 90 7.287 17.901 4.967 1.00 0.00 H new ATOM 0 HG22 VAL B 90 6.735 19.072 6.189 1.00 0.00 H new ATOM 0 HG23 VAL B 90 6.172 17.385 6.254 1.00 0.00 H new ATOM 1350 N GLU B 91 2.080 17.870 6.434 1.00 0.00 N ATOM 1351 CA GLU B 91 1.329 16.757 7.008 1.00 0.00 C ATOM 1352 C GLU B 91 0.769 15.856 5.910 1.00 0.00 C ATOM 1353 O GLU B 91 -0.044 16.285 5.090 1.00 0.00 O ATOM 1354 CB GLU B 91 0.194 17.270 7.904 1.00 0.00 C ATOM 1355 CG GLU B 91 -0.740 18.260 7.219 1.00 0.00 C ATOM 1356 CD GLU B 91 -2.204 17.868 7.326 1.00 0.00 C ATOM 1357 OE1 GLU B 91 -2.531 16.697 7.039 1.00 0.00 O ATOM 1358 OE2 GLU B 91 -3.023 18.737 7.692 1.00 0.00 O ATOM 0 H GLU B 91 1.527 18.710 6.266 1.00 0.00 H new ATOM 0 HA GLU B 91 2.015 16.171 7.620 1.00 0.00 H new ATOM 0 HB2 GLU B 91 -0.390 16.419 8.255 1.00 0.00 H new ATOM 0 HB3 GLU B 91 0.627 17.745 8.784 1.00 0.00 H new ATOM 0 HG2 GLU B 91 -0.601 19.247 7.660 1.00 0.00 H new ATOM 0 HG3 GLU B 91 -0.467 18.340 6.167 1.00 0.00 H new ATOM 1365 N ASN B 92 1.221 14.604 5.900 1.00 0.00 N ATOM 1366 CA ASN B 92 0.777 13.635 4.904 1.00 0.00 C ATOM 1367 C ASN B 92 0.133 12.422 5.571 1.00 0.00 C ATOM 1368 O ASN B 92 0.247 12.231 6.784 1.00 0.00 O ATOM 1369 CB ASN B 92 1.960 13.189 4.038 1.00 0.00 C ATOM 1370 CG ASN B 92 2.579 14.338 3.262 1.00 0.00 C ATOM 1371 OD1 ASN B 92 2.285 14.534 2.083 1.00 0.00 O ATOM 1372 ND2 ASN B 92 3.442 15.107 3.920 1.00 0.00 N ATOM 0 H ASN B 92 1.895 14.238 6.572 1.00 0.00 H new ATOM 0 HA ASN B 92 0.031 14.115 4.272 1.00 0.00 H new ATOM 0 HB2 ASN B 92 2.719 12.733 4.673 1.00 0.00 H new ATOM 0 HB3 ASN B 92 1.626 12.422 3.340 1.00 0.00 H new ATOM 0 HD21 ASN B 92 3.887 15.894 3.447 1.00 0.00 H new ATOM 0 HD22 ASN B 92 3.658 14.910 4.897 1.00 0.00 H new ATOM 1379 N LYS B 93 -0.546 11.606 4.769 1.00 0.00 N ATOM 1380 CA LYS B 93 -1.212 10.408 5.273 1.00 0.00 C ATOM 1381 C LYS B 93 -0.219 9.254 5.410 1.00 0.00 C ATOM 1382 O LYS B 93 0.157 8.627 4.420 1.00 0.00 O ATOM 1383 CB LYS B 93 -2.361 10.008 4.337 1.00 0.00 C ATOM 1384 CG LYS B 93 -3.610 10.871 4.482 1.00 0.00 C ATOM 1385 CD LYS B 93 -3.330 12.332 4.158 1.00 0.00 C ATOM 1386 CE LYS B 93 -4.567 13.035 3.615 1.00 0.00 C ATOM 1387 NZ LYS B 93 -4.733 14.401 4.191 1.00 0.00 N ATOM 0 H LYS B 93 -0.650 11.753 3.765 1.00 0.00 H new ATOM 0 HA LYS B 93 -1.619 10.631 6.259 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -2.012 10.063 3.306 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -2.626 8.968 4.528 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -4.390 10.495 3.820 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -3.990 10.791 5.500 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -2.985 12.844 5.056 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -2.525 12.395 3.426 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -4.496 13.106 2.530 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -5.451 12.438 3.839 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -5.587 14.844 3.795 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -4.826 14.333 5.225 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -3.902 14.980 3.956 1.00 0.00 H new ATOM 1401 N VAL B 94 0.205 8.980 6.646 1.00 0.00 N ATOM 1402 CA VAL B 94 1.161 7.904 6.911 1.00 0.00 C ATOM 1403 C VAL B 94 0.456 6.668 7.471 1.00 0.00 C ATOM 1404 O VAL B 94 -0.428 6.778 8.321 1.00 0.00 O ATOM 1405 CB VAL B 94 2.264 8.348 7.902 1.00 0.00 C ATOM 1406 CG1 VAL B 94 3.136 9.436 7.288 1.00 0.00 C ATOM 1407 CG2 VAL B 94 1.660 8.822 9.216 1.00 0.00 C ATOM 0 H VAL B 94 -0.098 9.488 7.477 1.00 0.00 H new ATOM 0 HA VAL B 94 1.626 7.657 5.956 1.00 0.00 H new ATOM 0 HB VAL B 94 2.893 7.483 8.113 1.00 0.00 H new ATOM 0 HG11 VAL B 94 3.904 9.733 8.002 1.00 0.00 H new ATOM 0 HG12 VAL B 94 3.609 9.055 6.383 1.00 0.00 H new ATOM 0 HG13 VAL B 94 2.519 10.299 7.039 1.00 0.00 H new ATOM 0 HG21 VAL B 94 2.457 9.128 9.893 1.00 0.00 H new ATOM 0 HG22 VAL B 94 0.999 9.668 9.028 1.00 0.00 H new ATOM 0 HG23 VAL B 94 1.091 8.010 9.669 1.00 0.00 H new ATOM 1417 N THR B 95 0.849 5.491 6.985 1.00 0.00 N ATOM 1418 CA THR B 95 0.245 4.236 7.432 1.00 0.00 C ATOM 1419 C THR B 95 1.300 3.140 7.579 1.00 0.00 C ATOM 1420 O THR B 95 2.331 3.160 6.907 1.00 0.00 O ATOM 1421 CB THR B 95 -0.840 3.784 6.445 1.00 0.00 C ATOM 1422 OG1 THR B 95 -1.450 4.899 5.816 1.00 0.00 O ATOM 1423 CG2 THR B 95 -1.941 2.969 7.093 1.00 0.00 C ATOM 0 H THR B 95 1.581 5.380 6.283 1.00 0.00 H new ATOM 0 HA THR B 95 -0.208 4.412 8.407 1.00 0.00 H new ATOM 0 HB THR B 95 -0.320 3.157 5.721 1.00 0.00 H new ATOM 0 HG1 THR B 95 -2.137 4.587 5.191 1.00 0.00 H new ATOM 0 HG21 THR B 95 -2.674 2.683 6.339 1.00 0.00 H new ATOM 0 HG22 THR B 95 -1.514 2.073 7.542 1.00 0.00 H new ATOM 0 HG23 THR B 95 -2.429 3.565 7.865 1.00 0.00 H new ATOM 1431 N ASP B 96 1.028 2.181 8.460 1.00 0.00 N ATOM 1432 CA ASP B 96 1.944 1.067 8.698 1.00 0.00 C ATOM 1433 C ASP B 96 1.175 -0.251 8.729 1.00 0.00 C ATOM 1434 O ASP B 96 0.255 -0.424 9.531 1.00 0.00 O ATOM 1435 CB ASP B 96 2.714 1.259 10.009 1.00 0.00 C ATOM 1436 CG ASP B 96 1.821 1.688 11.156 1.00 0.00 C ATOM 1437 OD1 ASP B 96 1.481 2.888 11.228 1.00 0.00 O ATOM 1438 OD2 ASP B 96 1.459 0.824 11.981 1.00 0.00 O ATOM 0 H ASP B 96 0.178 2.152 9.023 1.00 0.00 H new ATOM 0 HA ASP B 96 2.664 1.040 7.880 1.00 0.00 H new ATOM 0 HB2 ASP B 96 3.213 0.326 10.272 1.00 0.00 H new ATOM 0 HB3 ASP B 96 3.493 2.007 9.862 1.00 0.00 H new ATOM 1443 N LEU B 97 1.549 -1.170 7.843 1.00 0.00 N ATOM 1444 CA LEU B 97 0.888 -2.470 7.756 1.00 0.00 C ATOM 1445 C LEU B 97 1.908 -3.606 7.790 1.00 0.00 C ATOM 1446 O LEU B 97 2.676 -3.742 6.815 1.00 0.00 O ATOM 1447 CB LEU B 97 0.048 -2.547 6.470 1.00 0.00 C ATOM 1448 CG LEU B 97 -1.442 -2.223 6.636 1.00 0.00 C ATOM 1449 CD1 LEU B 97 -2.105 -3.214 7.581 1.00 0.00 C ATOM 1450 CD2 LEU B 97 -1.636 -0.797 7.135 1.00 0.00 C ATOM 1451 OXT LEU B 97 1.933 -4.350 8.792 1.00 0.00 O ATOM 0 H LEU B 97 2.308 -1.039 7.174 1.00 0.00 H new ATOM 0 HA LEU B 97 0.231 -2.580 8.619 1.00 0.00 H new ATOM 0 HB2 LEU B 97 0.472 -1.860 5.738 1.00 0.00 H new ATOM 0 HB3 LEU B 97 0.140 -3.551 6.056 1.00 0.00 H new ATOM 0 HG LEU B 97 -1.917 -2.309 5.659 1.00 0.00 H new ATOM 0 HD11 LEU B 97 -3.161 -2.967 7.685 1.00 0.00 H new ATOM 0 HD12 LEU B 97 -2.006 -4.222 7.179 1.00 0.00 H new ATOM 0 HD13 LEU B 97 -1.623 -3.164 8.557 1.00 0.00 H new ATOM 0 HD21 LEU B 97 -2.701 -0.592 7.245 1.00 0.00 H new ATOM 0 HD22 LEU B 97 -1.142 -0.679 8.100 1.00 0.00 H new ATOM 0 HD23 LEU B 97 -1.204 -0.099 6.418 1.00 0.00 H new TER 1463 LEU B 97