USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 900 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 93 LYS NZ :NH3+ -167:sc= 1.21 (180deg=-0.249) USER MOD Set 1.2: A 97 GLN : amide:sc= -17.2! C(o=-16!,f=-20!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.0353 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0283 USER MOD Single : A 4 SER OG : rot -32:sc= 0.112 USER MOD Single : A 5 SER OG : rot -170:sc= -0.452 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -5.06! C(o=-5.1!,f=-5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -151:sc= 0.0427 (180deg=-0.225) USER MOD Single : A 20 GLN : amide:sc= 0.4 K(o=0.4,f=-7.3!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -115:sc= -13.1! (180deg=-20.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.316 USER MOD Single : A 45 HIS :FLIP no HD1:sc= -10.5! C(o=-15!,f=-11!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -116:sc= -2.81! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 59:sc= -1.8! USER MOD Single : A 53 GLN : amide:sc= -3.86! C(o=-3.9!,f=-11!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -150:sc= -0.0957 (180deg=-0.486) USER MOD Single : A 64 GLN : amide:sc= -4.83! C(o=-4.8!,f=-9!) USER MOD Single : A 66 GLN : amide:sc= -0.014 X(o=-0.014,f=-0.014) USER MOD Single : A 70 HIS : no HD1:sc= -3.64 K(o=-3.6,f=-6.3!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -138:sc= -1.39 USER MOD Single : A 76 ASN : amide:sc= -2.38! C(o=-2.4!,f=-6.1!) USER MOD Single : A 78 HIS : no HE2:sc= -21.7! C(o=-22!,f=-28!) USER MOD Single : A 80 SER OG : rot -66:sc= -2.65! USER MOD Single : A 81 ASN :FLIP amide:sc= -2.85! C(o=-8.6!,f=-2.9!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -50:sc= 0.145 USER MOD Single : A 87 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00373) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -136:sc= -7.15! (180deg=-14.8!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= -0.784 K(o=-0.78,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.272 -20.399 -3.883 1.00 0.00 N ATOM 2 CA MET A 1 -12.871 -19.060 -3.629 1.00 0.00 C ATOM 3 C MET A 1 -12.935 -18.272 -4.939 1.00 0.00 C ATOM 4 O MET A 1 -12.197 -18.533 -5.868 1.00 0.00 O ATOM 5 CB MET A 1 -12.009 -18.299 -2.618 1.00 0.00 C ATOM 6 CG MET A 1 -12.912 -17.550 -1.637 1.00 0.00 C ATOM 7 SD MET A 1 -11.900 -16.797 -0.340 1.00 0.00 S ATOM 8 CE MET A 1 -13.252 -16.035 0.590 1.00 0.00 C ATOM 0 H1 MET A 1 -12.996 -21.134 -3.750 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.913 -20.439 -4.858 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.489 -20.561 -3.218 1.00 0.00 H new ATOM 0 HA MET A 1 -13.878 -19.183 -3.230 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.365 -18.993 -2.078 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.357 -17.597 -3.137 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.479 -16.782 -2.162 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.636 -18.236 -1.196 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.847 -15.506 1.453 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.783 -15.332 -0.051 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.941 -16.808 0.930 1.00 0.00 H new ATOM 20 N ALA A 2 -13.812 -17.309 -5.020 1.00 0.00 N ATOM 21 CA ALA A 2 -13.920 -16.527 -6.236 1.00 0.00 C ATOM 22 C ALA A 2 -12.688 -15.629 -6.371 1.00 0.00 C ATOM 23 O ALA A 2 -12.414 -14.803 -5.523 1.00 0.00 O ATOM 24 CB ALA A 2 -15.180 -15.662 -6.179 1.00 0.00 C ATOM 0 H ALA A 2 -14.456 -17.044 -4.275 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.981 -17.195 -7.095 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -15.260 -15.075 -7.094 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.057 -16.302 -6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.123 -14.992 -5.321 1.00 0.00 H new ATOM 30 N THR A 3 -11.945 -15.781 -7.433 1.00 0.00 N ATOM 31 CA THR A 3 -10.766 -14.956 -7.615 1.00 0.00 C ATOM 32 C THR A 3 -11.123 -13.748 -8.483 1.00 0.00 C ATOM 33 O THR A 3 -10.783 -12.625 -8.171 1.00 0.00 O ATOM 34 CB THR A 3 -9.669 -15.774 -8.301 1.00 0.00 C ATOM 35 OG1 THR A 3 -10.115 -17.112 -8.472 1.00 0.00 O ATOM 36 CG2 THR A 3 -8.406 -15.762 -7.438 1.00 0.00 C ATOM 0 H THR A 3 -12.124 -16.454 -8.178 1.00 0.00 H new ATOM 0 HA THR A 3 -10.407 -14.614 -6.644 1.00 0.00 H new ATOM 0 HB THR A 3 -9.445 -15.338 -9.275 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.414 -17.637 -8.913 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.625 -16.345 -7.927 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.064 -14.735 -7.307 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.627 -16.198 -6.464 1.00 0.00 H new ATOM 44 N SER A 4 -11.810 -13.970 -9.571 1.00 0.00 N ATOM 45 CA SER A 4 -12.181 -12.864 -10.431 1.00 0.00 C ATOM 46 C SER A 4 -13.258 -12.025 -9.741 1.00 0.00 C ATOM 47 O SER A 4 -13.594 -10.943 -10.182 1.00 0.00 O ATOM 48 CB SER A 4 -12.725 -13.405 -11.754 1.00 0.00 C ATOM 49 OG SER A 4 -12.853 -12.336 -12.681 1.00 0.00 O ATOM 0 H SER A 4 -12.123 -14.889 -9.885 1.00 0.00 H new ATOM 0 HA SER A 4 -11.305 -12.245 -10.626 1.00 0.00 H new ATOM 0 HB2 SER A 4 -12.055 -14.168 -12.151 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.692 -13.882 -11.595 1.00 0.00 H new ATOM 0 HG SER A 4 -13.072 -11.510 -12.200 1.00 0.00 H new ATOM 55 N SER A 5 -13.803 -12.515 -8.661 1.00 0.00 N ATOM 56 CA SER A 5 -14.830 -11.766 -7.963 1.00 0.00 C ATOM 57 C SER A 5 -14.328 -10.346 -7.691 1.00 0.00 C ATOM 58 O SER A 5 -14.713 -9.404 -8.355 1.00 0.00 O ATOM 59 CB SER A 5 -15.152 -12.455 -6.637 1.00 0.00 C ATOM 60 OG SER A 5 -16.444 -13.041 -6.715 1.00 0.00 O ATOM 0 H SER A 5 -13.563 -13.415 -8.245 1.00 0.00 H new ATOM 0 HA SER A 5 -15.729 -11.723 -8.577 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.406 -13.219 -6.420 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.116 -11.734 -5.821 1.00 0.00 H new ATOM 0 HG SER A 5 -16.720 -13.345 -5.825 1.00 0.00 H new ATOM 66 N GLU A 6 -13.472 -10.185 -6.719 1.00 0.00 N ATOM 67 CA GLU A 6 -12.966 -8.854 -6.419 1.00 0.00 C ATOM 68 C GLU A 6 -12.131 -8.344 -7.588 1.00 0.00 C ATOM 69 O GLU A 6 -11.671 -9.101 -8.419 1.00 0.00 O ATOM 70 CB GLU A 6 -12.094 -8.861 -5.158 1.00 0.00 C ATOM 71 CG GLU A 6 -11.438 -10.231 -4.965 1.00 0.00 C ATOM 72 CD GLU A 6 -10.194 -10.085 -4.087 1.00 0.00 C ATOM 73 OE1 GLU A 6 -10.331 -10.180 -2.879 1.00 0.00 O ATOM 74 OE2 GLU A 6 -9.125 -9.880 -4.638 1.00 0.00 O ATOM 0 H GLU A 6 -13.111 -10.933 -6.128 1.00 0.00 H new ATOM 0 HA GLU A 6 -13.823 -8.202 -6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -11.326 -8.092 -5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.702 -8.617 -4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.143 -10.921 -4.502 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.166 -10.654 -5.932 1.00 0.00 H new ATOM 81 N GLU A 7 -11.911 -7.064 -7.633 1.00 0.00 N ATOM 82 CA GLU A 7 -11.100 -6.502 -8.691 1.00 0.00 C ATOM 83 C GLU A 7 -9.901 -5.811 -8.052 1.00 0.00 C ATOM 84 O GLU A 7 -10.058 -4.831 -7.351 1.00 0.00 O ATOM 85 CB GLU A 7 -11.919 -5.486 -9.490 1.00 0.00 C ATOM 86 CG GLU A 7 -13.355 -5.993 -9.643 1.00 0.00 C ATOM 87 CD GLU A 7 -14.061 -5.201 -10.746 1.00 0.00 C ATOM 88 OE1 GLU A 7 -13.502 -5.100 -11.826 1.00 0.00 O ATOM 89 OE2 GLU A 7 -15.147 -4.707 -10.491 1.00 0.00 O ATOM 0 H GLU A 7 -12.274 -6.388 -6.961 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.767 -7.288 -9.369 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.915 -4.521 -8.983 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.470 -5.332 -10.471 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.353 -7.055 -9.888 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.893 -5.884 -8.701 1.00 0.00 H new ATOM 96 N VAL A 8 -8.708 -6.312 -8.229 1.00 0.00 N ATOM 97 CA VAL A 8 -7.574 -5.690 -7.581 1.00 0.00 C ATOM 98 C VAL A 8 -6.862 -4.781 -8.580 1.00 0.00 C ATOM 99 O VAL A 8 -6.977 -4.938 -9.780 1.00 0.00 O ATOM 100 CB VAL A 8 -6.612 -6.781 -7.051 1.00 0.00 C ATOM 101 CG1 VAL A 8 -7.383 -8.084 -6.815 1.00 0.00 C ATOM 102 CG2 VAL A 8 -5.484 -7.053 -8.057 1.00 0.00 C ATOM 0 H VAL A 8 -8.493 -7.129 -8.801 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.912 -5.090 -6.736 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.180 -6.423 -6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.701 -8.848 -6.442 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.171 -7.913 -6.082 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.826 -8.420 -7.753 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.822 -7.823 -7.662 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.912 -7.392 -9.001 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.917 -6.137 -8.224 1.00 0.00 H new ATOM 112 N LEU A 9 -6.176 -3.796 -8.085 1.00 0.00 N ATOM 113 CA LEU A 9 -5.526 -2.856 -8.978 1.00 0.00 C ATOM 114 C LEU A 9 -4.027 -3.166 -9.172 1.00 0.00 C ATOM 115 O LEU A 9 -3.543 -3.095 -10.284 1.00 0.00 O ATOM 116 CB LEU A 9 -5.691 -1.442 -8.425 1.00 0.00 C ATOM 117 CG LEU A 9 -4.996 -0.455 -9.357 1.00 0.00 C ATOM 118 CD1 LEU A 9 -5.717 -0.433 -10.705 1.00 0.00 C ATOM 119 CD2 LEU A 9 -5.032 0.945 -8.737 1.00 0.00 C ATOM 0 H LEU A 9 -6.047 -3.615 -7.090 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.002 -2.944 -9.955 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.749 -1.194 -8.337 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.264 -1.378 -7.424 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.960 -0.761 -9.503 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.221 0.272 -11.372 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.692 -1.429 -11.147 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.753 -0.127 -10.559 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.535 1.651 -9.403 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.068 1.252 -8.591 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.519 0.930 -7.776 1.00 0.00 H new ATOM 131 N LEU A 10 -3.264 -3.506 -8.157 1.00 0.00 N ATOM 132 CA LEU A 10 -1.863 -3.782 -8.431 1.00 0.00 C ATOM 133 C LEU A 10 -1.170 -4.381 -7.209 1.00 0.00 C ATOM 134 O LEU A 10 -1.623 -4.251 -6.091 1.00 0.00 O ATOM 135 CB LEU A 10 -1.156 -2.485 -8.824 1.00 0.00 C ATOM 136 CG LEU A 10 0.240 -2.808 -9.360 1.00 0.00 C ATOM 137 CD1 LEU A 10 0.571 -1.871 -10.522 1.00 0.00 C ATOM 138 CD2 LEU A 10 1.272 -2.619 -8.245 1.00 0.00 C ATOM 0 H LEU A 10 -3.562 -3.596 -7.186 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.810 -4.503 -9.247 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.735 -1.958 -9.582 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.082 -1.823 -7.961 1.00 0.00 H new ATOM 0 HG LEU A 10 0.264 -3.841 -9.707 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.566 -2.102 -10.903 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.162 -2.004 -11.317 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.546 -0.838 -10.175 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.267 -2.849 -8.627 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.247 -1.586 -7.897 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.038 -3.287 -7.416 1.00 0.00 H new ATOM 150 N ILE A 11 -0.057 -5.029 -7.428 1.00 0.00 N ATOM 151 CA ILE A 11 0.673 -5.615 -6.324 1.00 0.00 C ATOM 152 C ILE A 11 2.175 -5.418 -6.529 1.00 0.00 C ATOM 153 O ILE A 11 2.689 -5.510 -7.626 1.00 0.00 O ATOM 154 CB ILE A 11 0.368 -7.114 -6.222 1.00 0.00 C ATOM 155 CG1 ILE A 11 1.470 -7.809 -5.393 1.00 0.00 C ATOM 156 CG2 ILE A 11 0.298 -7.722 -7.627 1.00 0.00 C ATOM 157 CD1 ILE A 11 2.674 -8.150 -6.279 1.00 0.00 C ATOM 0 H ILE A 11 0.364 -5.166 -8.347 1.00 0.00 H new ATOM 0 HA ILE A 11 0.363 -5.122 -5.402 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.592 -7.259 -5.727 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.784 -7.158 -4.577 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.074 -8.719 -4.941 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.081 -8.788 -7.552 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.490 -7.231 -8.197 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.253 -7.581 -8.133 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.441 -8.639 -5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.359 -8.819 -7.080 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.080 -7.235 -6.710 1.00 0.00 H new ATOM 169 N VAL A 12 2.877 -5.179 -5.464 1.00 0.00 N ATOM 170 CA VAL A 12 4.309 -5.012 -5.544 1.00 0.00 C ATOM 171 C VAL A 12 4.931 -6.004 -4.560 1.00 0.00 C ATOM 172 O VAL A 12 4.568 -6.043 -3.397 1.00 0.00 O ATOM 173 CB VAL A 12 4.661 -3.560 -5.183 1.00 0.00 C ATOM 174 CG1 VAL A 12 5.884 -3.480 -4.281 1.00 0.00 C ATOM 175 CG2 VAL A 12 4.974 -2.780 -6.452 1.00 0.00 C ATOM 0 H VAL A 12 2.488 -5.094 -4.525 1.00 0.00 H new ATOM 0 HA VAL A 12 4.691 -5.206 -6.546 1.00 0.00 H new ATOM 0 HB VAL A 12 3.802 -3.142 -4.659 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.098 -2.436 -4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.690 -4.024 -3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.741 -3.922 -4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.223 -1.751 -6.194 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.819 -3.241 -6.963 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.104 -2.789 -7.109 1.00 0.00 H new ATOM 185 N LYS A 13 5.843 -6.823 -5.002 1.00 0.00 N ATOM 186 CA LYS A 13 6.394 -7.768 -4.062 1.00 0.00 C ATOM 187 C LYS A 13 7.257 -7.029 -3.052 1.00 0.00 C ATOM 188 O LYS A 13 6.837 -6.734 -1.981 1.00 0.00 O ATOM 189 CB LYS A 13 7.251 -8.792 -4.808 1.00 0.00 C ATOM 190 CG LYS A 13 6.567 -10.160 -4.767 1.00 0.00 C ATOM 191 CD LYS A 13 7.456 -11.156 -4.018 1.00 0.00 C ATOM 192 CE LYS A 13 7.655 -12.408 -4.874 1.00 0.00 C ATOM 193 NZ LYS A 13 7.846 -13.591 -3.987 1.00 0.00 N ATOM 0 H LYS A 13 6.208 -6.862 -5.954 1.00 0.00 H new ATOM 0 HA LYS A 13 5.583 -8.281 -3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.395 -8.477 -5.841 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.240 -8.855 -4.353 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.598 -10.079 -4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.380 -10.515 -5.780 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.420 -10.700 -3.792 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.998 -11.423 -3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.791 -12.561 -5.521 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.521 -12.283 -5.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.981 -14.443 -4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.683 -13.444 -3.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.007 -13.713 -3.385 1.00 0.00 H new ATOM 207 N LYS A 14 8.458 -6.741 -3.359 1.00 0.00 N ATOM 208 CA LYS A 14 9.297 -6.094 -2.373 1.00 0.00 C ATOM 209 C LYS A 14 8.610 -4.885 -1.729 1.00 0.00 C ATOM 210 O LYS A 14 8.294 -3.912 -2.380 1.00 0.00 O ATOM 211 CB LYS A 14 10.591 -5.630 -3.037 1.00 0.00 C ATOM 212 CG LYS A 14 11.445 -4.876 -2.016 1.00 0.00 C ATOM 213 CD LYS A 14 12.322 -5.870 -1.253 1.00 0.00 C ATOM 214 CE LYS A 14 13.119 -5.128 -0.178 1.00 0.00 C ATOM 215 NZ LYS A 14 14.022 -6.085 0.521 1.00 0.00 N ATOM 0 H LYS A 14 8.898 -6.928 -4.260 1.00 0.00 H new ATOM 0 HA LYS A 14 9.500 -6.822 -1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.141 -6.487 -3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.366 -4.985 -3.886 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.068 -4.138 -2.521 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.805 -4.331 -1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.702 -6.640 -0.794 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.001 -6.375 -1.941 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.702 -4.326 -0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.440 -4.663 0.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.564 -5.581 1.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.455 -6.835 0.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.678 -6.508 -0.166 1.00 0.00 H new ATOM 229 N VAL A 15 8.527 -4.907 -0.414 1.00 0.00 N ATOM 230 CA VAL A 15 8.036 -3.743 0.285 1.00 0.00 C ATOM 231 C VAL A 15 8.667 -3.687 1.659 1.00 0.00 C ATOM 232 O VAL A 15 9.045 -4.688 2.234 1.00 0.00 O ATOM 233 CB VAL A 15 6.518 -3.706 0.343 1.00 0.00 C ATOM 234 CG1 VAL A 15 6.067 -2.670 1.368 1.00 0.00 C ATOM 235 CG2 VAL A 15 6.016 -3.286 -1.027 1.00 0.00 C ATOM 0 H VAL A 15 8.786 -5.697 0.177 1.00 0.00 H new ATOM 0 HA VAL A 15 8.326 -2.850 -0.269 1.00 0.00 H new ATOM 0 HB VAL A 15 6.127 -4.684 0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.978 -2.646 1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.459 -2.935 2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.441 -1.687 1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.927 -3.249 -1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.411 -2.300 -1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.350 -4.007 -1.774 1.00 0.00 H new ATOM 245 N ARG A 16 8.820 -2.512 2.163 1.00 0.00 N ATOM 246 CA ARG A 16 9.451 -2.344 3.438 1.00 0.00 C ATOM 247 C ARG A 16 8.559 -1.539 4.349 1.00 0.00 C ATOM 248 O ARG A 16 8.161 -0.437 4.044 1.00 0.00 O ATOM 249 CB ARG A 16 10.751 -1.582 3.212 1.00 0.00 C ATOM 250 CG ARG A 16 11.377 -1.163 4.544 1.00 0.00 C ATOM 251 CD ARG A 16 12.377 -2.224 5.018 1.00 0.00 C ATOM 252 NE ARG A 16 13.326 -2.533 3.959 1.00 0.00 N ATOM 253 CZ ARG A 16 14.470 -3.100 4.243 1.00 0.00 C ATOM 254 NH1 ARG A 16 14.786 -3.371 5.482 1.00 0.00 N ATOM 255 NH2 ARG A 16 15.303 -3.392 3.282 1.00 0.00 N ATOM 0 H ARG A 16 8.518 -1.647 1.715 1.00 0.00 H new ATOM 0 HA ARG A 16 9.640 -3.314 3.898 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.451 -2.206 2.657 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.558 -0.699 2.602 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.881 -0.203 4.431 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.597 -1.027 5.294 1.00 0.00 H new ATOM 0 HD2 ARG A 16 12.909 -1.864 5.899 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.845 -3.128 5.314 1.00 0.00 H new ATOM 0 HE ARG A 16 13.098 -2.306 2.991 1.00 0.00 H new ATOM 0 HH11 ARG A 16 14.139 -3.140 6.236 1.00 0.00 H new ATOM 0 HH12 ARG A 16 15.680 -3.813 5.695 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.061 -3.178 2.315 1.00 0.00 H new ATOM 0 HH22 ARG A 16 16.196 -3.834 3.498 1.00 0.00 H new ATOM 269 N GLN A 17 8.271 -2.068 5.482 1.00 0.00 N ATOM 270 CA GLN A 17 7.471 -1.341 6.412 1.00 0.00 C ATOM 271 C GLN A 17 8.220 -1.378 7.739 1.00 0.00 C ATOM 272 O GLN A 17 8.797 -2.387 8.091 1.00 0.00 O ATOM 273 CB GLN A 17 6.081 -1.980 6.507 1.00 0.00 C ATOM 274 CG GLN A 17 6.147 -3.268 7.308 1.00 0.00 C ATOM 275 CD GLN A 17 4.735 -3.828 7.490 1.00 0.00 C ATOM 276 OE1 GLN A 17 4.070 -3.526 8.461 1.00 0.00 O ATOM 277 NE2 GLN A 17 4.244 -4.639 6.592 1.00 0.00 N ATOM 0 H GLN A 17 8.571 -2.993 5.791 1.00 0.00 H new ATOM 0 HA GLN A 17 7.313 -0.307 6.107 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.386 -1.286 6.979 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.698 -2.185 5.507 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.775 -3.996 6.795 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.604 -3.081 8.280 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.801 -4.894 5.776 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.304 -5.018 6.706 1.00 0.00 H new ATOM 286 N LYS A 18 8.331 -0.253 8.398 1.00 0.00 N ATOM 287 CA LYS A 18 9.147 -0.173 9.608 1.00 0.00 C ATOM 288 C LYS A 18 9.056 -1.465 10.429 1.00 0.00 C ATOM 289 O LYS A 18 9.960 -1.787 11.175 1.00 0.00 O ATOM 290 CB LYS A 18 8.661 0.998 10.465 1.00 0.00 C ATOM 291 CG LYS A 18 9.532 2.227 10.197 1.00 0.00 C ATOM 292 CD LYS A 18 8.857 3.112 9.148 1.00 0.00 C ATOM 293 CE LYS A 18 9.329 2.699 7.753 1.00 0.00 C ATOM 294 NZ LYS A 18 10.251 3.738 7.214 1.00 0.00 N ATOM 0 H LYS A 18 7.876 0.619 8.130 1.00 0.00 H new ATOM 0 HA LYS A 18 10.185 -0.026 9.311 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.619 1.221 10.236 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.705 0.732 11.521 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.682 2.788 11.120 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.517 1.918 9.848 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.773 3.018 9.220 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.099 4.159 9.330 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.837 1.736 7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.473 2.577 7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.573 3.458 6.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.752 4.649 7.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.073 3.833 7.844 1.00 0.00 H new ATOM 308 N LYS A 19 8.017 -2.232 10.282 1.00 0.00 N ATOM 309 CA LYS A 19 7.943 -3.473 11.014 1.00 0.00 C ATOM 310 C LYS A 19 8.847 -4.532 10.342 1.00 0.00 C ATOM 311 O LYS A 19 9.634 -5.206 10.977 1.00 0.00 O ATOM 312 CB LYS A 19 6.457 -3.962 11.027 1.00 0.00 C ATOM 313 CG LYS A 19 6.195 -5.112 10.006 1.00 0.00 C ATOM 314 CD LYS A 19 4.797 -5.696 10.194 1.00 0.00 C ATOM 315 CE LYS A 19 4.818 -6.734 11.317 1.00 0.00 C ATOM 316 NZ LYS A 19 5.428 -7.997 10.816 1.00 0.00 N ATOM 0 H LYS A 19 7.221 -2.032 9.676 1.00 0.00 H new ATOM 0 HA LYS A 19 8.287 -3.322 12.037 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.200 -4.305 12.029 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.800 -3.122 10.800 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.302 -4.733 8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.942 -5.896 10.135 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.090 -4.902 10.433 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.457 -6.157 9.266 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.387 -6.355 12.166 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.804 -6.923 11.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.029 -8.805 11.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.224 -8.102 9.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.457 -7.967 10.961 1.00 0.00 H new ATOM 330 N GLN A 20 8.605 -4.754 9.088 1.00 0.00 N ATOM 331 CA GLN A 20 9.258 -5.815 8.365 1.00 0.00 C ATOM 332 C GLN A 20 9.369 -5.459 6.887 1.00 0.00 C ATOM 333 O GLN A 20 8.714 -4.560 6.402 1.00 0.00 O ATOM 334 CB GLN A 20 8.416 -7.090 8.566 1.00 0.00 C ATOM 335 CG GLN A 20 8.593 -8.089 7.414 1.00 0.00 C ATOM 336 CD GLN A 20 9.903 -8.860 7.594 1.00 0.00 C ATOM 337 OE1 GLN A 20 10.972 -8.283 7.551 1.00 0.00 O ATOM 338 NE2 GLN A 20 9.865 -10.148 7.795 1.00 0.00 N ATOM 0 H GLN A 20 7.949 -4.207 8.530 1.00 0.00 H new ATOM 0 HA GLN A 20 10.272 -5.971 8.734 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.699 -7.566 9.505 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.364 -6.819 8.651 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.752 -8.783 7.389 1.00 0.00 H new ATOM 0 HG3 GLN A 20 8.599 -7.561 6.460 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.968 -10.632 7.831 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.732 -10.671 7.916 1.00 0.00 H new ATOM 347 N ASP A 21 10.129 -6.207 6.152 1.00 0.00 N ATOM 348 CA ASP A 21 10.197 -5.972 4.740 1.00 0.00 C ATOM 349 C ASP A 21 9.365 -7.146 4.259 1.00 0.00 C ATOM 350 O ASP A 21 9.516 -8.265 4.707 1.00 0.00 O ATOM 351 CB ASP A 21 11.635 -6.077 4.202 1.00 0.00 C ATOM 352 CG ASP A 21 12.621 -5.462 5.199 1.00 0.00 C ATOM 353 OD1 ASP A 21 12.176 -4.956 6.217 1.00 0.00 O ATOM 354 OD2 ASP A 21 13.809 -5.512 4.927 1.00 0.00 O ATOM 0 H ASP A 21 10.704 -6.975 6.497 1.00 0.00 H new ATOM 0 HA ASP A 21 9.864 -4.983 4.427 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.889 -7.122 4.026 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.710 -5.565 3.243 1.00 0.00 H new ATOM 359 N GLY A 22 8.425 -6.870 3.415 1.00 0.00 N ATOM 360 CA GLY A 22 7.516 -7.897 2.976 1.00 0.00 C ATOM 361 C GLY A 22 6.825 -7.456 1.703 1.00 0.00 C ATOM 362 O GLY A 22 6.953 -6.316 1.294 1.00 0.00 O ATOM 0 H GLY A 22 8.260 -5.947 3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.058 -8.827 2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.777 -8.098 3.752 1.00 0.00 H new ATOM 366 N ALA A 23 6.178 -8.349 1.010 1.00 0.00 N ATOM 367 CA ALA A 23 5.562 -7.957 -0.225 1.00 0.00 C ATOM 368 C ALA A 23 4.165 -7.370 -0.002 1.00 0.00 C ATOM 369 O ALA A 23 3.396 -7.795 0.834 1.00 0.00 O ATOM 370 CB ALA A 23 5.479 -9.154 -1.172 1.00 0.00 C ATOM 0 H ALA A 23 6.064 -9.329 1.270 1.00 0.00 H new ATOM 0 HA ALA A 23 6.182 -7.180 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.010 -8.847 -2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.483 -9.527 -1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.885 -9.943 -0.710 1.00 0.00 H new ATOM 376 N LEU A 24 3.905 -6.330 -0.740 1.00 0.00 N ATOM 377 CA LEU A 24 2.654 -5.606 -0.601 1.00 0.00 C ATOM 378 C LEU A 24 1.749 -5.844 -1.815 1.00 0.00 C ATOM 379 O LEU A 24 2.147 -5.703 -2.954 1.00 0.00 O ATOM 380 CB LEU A 24 2.956 -4.111 -0.504 1.00 0.00 C ATOM 381 CG LEU A 24 2.610 -3.569 0.876 1.00 0.00 C ATOM 382 CD1 LEU A 24 2.613 -2.042 0.804 1.00 0.00 C ATOM 383 CD2 LEU A 24 1.223 -4.049 1.301 1.00 0.00 C ATOM 0 H LEU A 24 4.537 -5.956 -1.448 1.00 0.00 H new ATOM 0 HA LEU A 24 2.144 -5.959 0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.011 -3.936 -0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.388 -3.572 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 24 3.341 -3.923 1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.367 -1.631 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.601 -1.694 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.873 -1.711 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.988 -3.654 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.481 -3.697 0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.209 -5.138 1.333 1.00 0.00 H new ATOM 395 N TYR A 25 0.516 -6.178 -1.549 1.00 0.00 N ATOM 396 CA TYR A 25 -0.461 -6.404 -2.598 1.00 0.00 C ATOM 397 C TYR A 25 -1.489 -5.289 -2.492 1.00 0.00 C ATOM 398 O TYR A 25 -1.869 -4.919 -1.400 1.00 0.00 O ATOM 399 CB TYR A 25 -1.182 -7.727 -2.339 1.00 0.00 C ATOM 400 CG TYR A 25 -0.530 -8.847 -3.099 1.00 0.00 C ATOM 401 CD1 TYR A 25 0.606 -9.471 -2.579 1.00 0.00 C ATOM 402 CD2 TYR A 25 -1.078 -9.273 -4.310 1.00 0.00 C ATOM 403 CE1 TYR A 25 1.200 -10.529 -3.271 1.00 0.00 C ATOM 404 CE2 TYR A 25 -0.486 -10.333 -5.011 1.00 0.00 C ATOM 405 CZ TYR A 25 0.655 -10.963 -4.489 1.00 0.00 C ATOM 406 OH TYR A 25 1.240 -12.008 -5.175 1.00 0.00 O ATOM 0 H TYR A 25 0.153 -6.303 -0.604 1.00 0.00 H new ATOM 0 HA TYR A 25 0.021 -6.428 -3.575 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.170 -7.950 -1.272 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.227 -7.641 -2.635 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.025 -9.136 -1.642 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.957 -8.787 -4.707 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.078 -11.013 -2.869 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.906 -10.664 -5.949 1.00 0.00 H new ATOM 0 HH TYR A 25 0.737 -12.182 -5.998 1.00 0.00 H new ATOM 416 N LEU A 26 -1.963 -4.729 -3.566 1.00 0.00 N ATOM 417 CA LEU A 26 -2.940 -3.673 -3.420 1.00 0.00 C ATOM 418 C LEU A 26 -4.198 -4.060 -4.203 1.00 0.00 C ATOM 419 O LEU A 26 -4.123 -4.552 -5.319 1.00 0.00 O ATOM 420 CB LEU A 26 -2.354 -2.364 -3.959 1.00 0.00 C ATOM 421 CG LEU A 26 -3.473 -1.350 -4.198 1.00 0.00 C ATOM 422 CD1 LEU A 26 -3.043 0.020 -3.671 1.00 0.00 C ATOM 423 CD2 LEU A 26 -3.749 -1.250 -5.697 1.00 0.00 C ATOM 0 H LEU A 26 -1.706 -4.969 -4.523 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.198 -3.533 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.631 -1.960 -3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.817 -2.552 -4.889 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.375 -1.673 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.841 0.742 -3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.838 -0.049 -2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.143 0.344 -4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.546 -0.528 -5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.845 -0.925 -6.212 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.053 -2.225 -6.077 1.00 0.00 H new ATOM 435 N MET A 27 -5.351 -3.806 -3.644 1.00 0.00 N ATOM 436 CA MET A 27 -6.587 -4.120 -4.322 1.00 0.00 C ATOM 437 C MET A 27 -7.454 -2.866 -4.296 1.00 0.00 C ATOM 438 O MET A 27 -7.357 -2.071 -3.381 1.00 0.00 O ATOM 439 CB MET A 27 -7.294 -5.255 -3.582 1.00 0.00 C ATOM 440 CG MET A 27 -8.729 -5.387 -4.091 1.00 0.00 C ATOM 441 SD MET A 27 -9.111 -7.134 -4.375 1.00 0.00 S ATOM 442 CE MET A 27 -8.288 -7.792 -2.904 1.00 0.00 C ATOM 0 H MET A 27 -5.464 -3.383 -2.723 1.00 0.00 H new ATOM 0 HA MET A 27 -6.401 -4.434 -5.349 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.757 -6.191 -3.734 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.295 -5.058 -2.510 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.424 -4.965 -3.365 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.852 -4.822 -5.015 1.00 0.00 H new ATOM 0 HE1 MET A 27 -7.450 -8.420 -3.206 1.00 0.00 H new ATOM 0 HE2 MET A 27 -7.921 -6.967 -2.293 1.00 0.00 H new ATOM 0 HE3 MET A 27 -8.996 -8.385 -2.326 1.00 0.00 H new ATOM 452 N ALA A 28 -8.281 -2.663 -5.288 1.00 0.00 N ATOM 453 CA ALA A 28 -9.100 -1.463 -5.309 1.00 0.00 C ATOM 454 C ALA A 28 -9.633 -1.166 -3.903 1.00 0.00 C ATOM 455 O ALA A 28 -9.462 -0.084 -3.378 1.00 0.00 O ATOM 456 CB ALA A 28 -10.282 -1.689 -6.258 1.00 0.00 C ATOM 0 H ALA A 28 -8.410 -3.293 -6.080 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.499 -0.619 -5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.905 -0.795 -6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.909 -1.899 -7.260 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.874 -2.534 -5.907 1.00 0.00 H new ATOM 462 N GLU A 29 -10.352 -2.086 -3.331 1.00 0.00 N ATOM 463 CA GLU A 29 -10.962 -1.814 -2.044 1.00 0.00 C ATOM 464 C GLU A 29 -10.039 -2.130 -0.862 1.00 0.00 C ATOM 465 O GLU A 29 -10.387 -1.838 0.264 1.00 0.00 O ATOM 466 CB GLU A 29 -12.238 -2.649 -1.914 1.00 0.00 C ATOM 467 CG GLU A 29 -12.991 -2.259 -0.638 1.00 0.00 C ATOM 468 CD GLU A 29 -14.314 -1.589 -1.011 1.00 0.00 C ATOM 469 OE1 GLU A 29 -15.133 -2.245 -1.633 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.486 -0.431 -0.668 1.00 0.00 O ATOM 0 H GLU A 29 -10.533 -3.013 -3.716 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.177 -0.746 -2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.875 -2.493 -2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.988 -3.710 -1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.178 -3.143 -0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.384 -1.581 -0.038 1.00 0.00 H new ATOM 477 N ARG A 30 -8.880 -2.707 -1.041 1.00 0.00 N ATOM 478 CA ARG A 30 -8.083 -2.959 0.151 1.00 0.00 C ATOM 479 C ARG A 30 -6.597 -3.136 -0.154 1.00 0.00 C ATOM 480 O ARG A 30 -6.184 -3.358 -1.272 1.00 0.00 O ATOM 481 CB ARG A 30 -8.615 -4.201 0.875 1.00 0.00 C ATOM 482 CG ARG A 30 -7.981 -5.476 0.317 1.00 0.00 C ATOM 483 CD ARG A 30 -9.084 -6.454 -0.079 1.00 0.00 C ATOM 484 NE ARG A 30 -9.803 -5.913 -1.218 1.00 0.00 N ATOM 485 CZ ARG A 30 -10.657 -6.660 -1.872 1.00 0.00 C ATOM 486 NH1 ARG A 30 -10.835 -7.907 -1.528 1.00 0.00 N ATOM 487 NH2 ARG A 30 -11.333 -6.160 -2.871 1.00 0.00 N ATOM 0 H ARG A 30 -8.478 -2.998 -1.932 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.175 -2.080 0.789 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.404 -4.123 1.941 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.698 -4.253 0.767 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.361 -5.240 -0.548 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.328 -5.928 1.063 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.656 -7.424 -0.330 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.766 -6.613 0.757 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.643 -4.949 -1.510 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.308 -8.301 -0.748 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.501 -8.487 -2.039 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.196 -5.186 -3.143 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.998 -6.743 -3.380 1.00 0.00 H new ATOM 501 N ILE A 31 -5.806 -3.045 0.878 1.00 0.00 N ATOM 502 CA ILE A 31 -4.370 -3.205 0.742 1.00 0.00 C ATOM 503 C ILE A 31 -3.966 -4.523 1.422 1.00 0.00 C ATOM 504 O ILE A 31 -4.365 -4.799 2.534 1.00 0.00 O ATOM 505 CB ILE A 31 -3.664 -2.001 1.398 1.00 0.00 C ATOM 506 CG1 ILE A 31 -3.396 -0.938 0.330 1.00 0.00 C ATOM 507 CG2 ILE A 31 -2.330 -2.428 2.028 1.00 0.00 C ATOM 508 CD1 ILE A 31 -2.244 -1.392 -0.570 1.00 0.00 C ATOM 0 H ILE A 31 -6.125 -2.860 1.829 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.077 -3.242 -0.307 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.308 -1.601 2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.293 -0.773 -0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.148 0.012 0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.850 -1.563 2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.513 -3.185 2.790 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.679 -2.839 1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.055 -0.633 -1.330 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.346 -1.534 0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.509 -2.332 -1.054 1.00 0.00 H new ATOM 520 N ALA A 32 -3.195 -5.345 0.758 1.00 0.00 N ATOM 521 CA ALA A 32 -2.809 -6.613 1.355 1.00 0.00 C ATOM 522 C ALA A 32 -1.294 -6.703 1.516 1.00 0.00 C ATOM 523 O ALA A 32 -0.537 -6.120 0.769 1.00 0.00 O ATOM 524 CB ALA A 32 -3.297 -7.761 0.470 1.00 0.00 C ATOM 0 H ALA A 32 -2.825 -5.172 -0.177 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.265 -6.683 2.343 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.008 -8.713 0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.382 -7.716 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.848 -7.674 -0.520 1.00 0.00 H new ATOM 530 N TRP A 33 -0.856 -7.438 2.501 1.00 0.00 N ATOM 531 CA TRP A 33 0.565 -7.573 2.719 1.00 0.00 C ATOM 532 C TRP A 33 0.941 -9.040 2.857 1.00 0.00 C ATOM 533 O TRP A 33 0.232 -9.829 3.441 1.00 0.00 O ATOM 534 CB TRP A 33 0.966 -6.837 3.984 1.00 0.00 C ATOM 535 CG TRP A 33 2.442 -6.871 4.129 1.00 0.00 C ATOM 536 CD1 TRP A 33 3.321 -6.551 3.159 1.00 0.00 C ATOM 537 CD2 TRP A 33 3.240 -7.251 5.288 1.00 0.00 C ATOM 538 NE1 TRP A 33 4.593 -6.639 3.685 1.00 0.00 N ATOM 539 CE2 TRP A 33 4.598 -7.084 4.960 1.00 0.00 C ATOM 540 CE3 TRP A 33 2.932 -7.704 6.575 1.00 0.00 C ATOM 541 CZ2 TRP A 33 5.618 -7.341 5.852 1.00 0.00 C ATOM 542 CZ3 TRP A 33 3.962 -7.986 7.486 1.00 0.00 C ATOM 543 CH2 TRP A 33 5.307 -7.800 7.122 1.00 0.00 C ATOM 0 H TRP A 33 -1.448 -7.947 3.158 1.00 0.00 H new ATOM 0 HA TRP A 33 1.088 -7.146 1.863 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.618 -5.805 3.943 1.00 0.00 H new ATOM 0 HB3 TRP A 33 0.494 -7.299 4.851 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.072 -6.274 2.145 1.00 0.00 H new ATOM 0 HE1 TRP A 33 5.437 -6.395 3.168 1.00 0.00 H new ATOM 0 HE3 TRP A 33 1.901 -7.837 6.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 6.647 -7.186 5.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 3.719 -8.349 8.474 1.00 0.00 H new ATOM 0 HH2 TRP A 33 6.095 -8.014 7.829 1.00 0.00 H new ATOM 554 N ALA A 34 2.067 -9.391 2.324 1.00 0.00 N ATOM 555 CA ALA A 34 2.533 -10.759 2.405 1.00 0.00 C ATOM 556 C ALA A 34 4.063 -10.782 2.374 1.00 0.00 C ATOM 557 O ALA A 34 4.668 -10.427 1.383 1.00 0.00 O ATOM 558 CB ALA A 34 1.974 -11.566 1.237 1.00 0.00 C ATOM 0 H ALA A 34 2.690 -8.756 1.825 1.00 0.00 H new ATOM 0 HA ALA A 34 2.188 -11.204 3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.328 -12.595 1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.885 -11.554 1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.309 -11.127 0.298 1.00 0.00 H new ATOM 564 N PRO A 35 4.638 -11.203 3.467 1.00 0.00 N ATOM 565 CA PRO A 35 6.115 -11.257 3.521 1.00 0.00 C ATOM 566 C PRO A 35 6.608 -12.621 3.029 1.00 0.00 C ATOM 567 O PRO A 35 5.845 -13.423 2.527 1.00 0.00 O ATOM 568 CB PRO A 35 6.484 -11.057 4.995 1.00 0.00 C ATOM 569 CG PRO A 35 5.168 -10.936 5.793 1.00 0.00 C ATOM 570 CD PRO A 35 4.008 -11.042 4.794 1.00 0.00 C ATOM 0 HA PRO A 35 6.573 -10.498 2.887 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.077 -11.896 5.359 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.091 -10.160 5.120 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.101 -11.724 6.543 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.129 -9.986 6.325 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.366 -11.891 5.028 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.382 -10.150 4.825 1.00 0.00 H new ATOM 578 N GLU A 36 7.877 -12.889 3.169 1.00 0.00 N ATOM 579 CA GLU A 36 8.402 -14.165 2.722 1.00 0.00 C ATOM 580 C GLU A 36 8.346 -15.171 3.874 1.00 0.00 C ATOM 581 O GLU A 36 9.338 -15.774 4.232 1.00 0.00 O ATOM 582 CB GLU A 36 9.852 -13.989 2.268 1.00 0.00 C ATOM 583 CG GLU A 36 10.733 -13.686 3.482 1.00 0.00 C ATOM 584 CD GLU A 36 11.350 -12.295 3.331 1.00 0.00 C ATOM 585 OE1 GLU A 36 12.291 -12.166 2.564 1.00 0.00 O ATOM 586 OE2 GLU A 36 10.873 -11.383 3.985 1.00 0.00 O ATOM 0 H GLU A 36 8.563 -12.257 3.581 1.00 0.00 H new ATOM 0 HA GLU A 36 7.803 -14.533 1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.200 -14.893 1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.922 -13.178 1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.141 -13.735 4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.519 -14.436 3.571 1.00 0.00 H new ATOM 593 N GLY A 37 7.194 -15.357 4.457 1.00 0.00 N ATOM 594 CA GLY A 37 7.080 -16.298 5.555 1.00 0.00 C ATOM 595 C GLY A 37 6.548 -17.633 5.031 1.00 0.00 C ATOM 596 O GLY A 37 7.268 -18.407 4.432 1.00 0.00 O ATOM 0 H GLY A 37 6.329 -14.881 4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.052 -16.442 6.027 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.410 -15.902 6.319 1.00 0.00 H new ATOM 600 N LYS A 38 5.291 -17.909 5.250 1.00 0.00 N ATOM 601 CA LYS A 38 4.730 -19.160 4.775 1.00 0.00 C ATOM 602 C LYS A 38 3.324 -18.909 4.227 1.00 0.00 C ATOM 603 O LYS A 38 3.006 -19.276 3.113 1.00 0.00 O ATOM 604 CB LYS A 38 4.657 -20.163 5.927 1.00 0.00 C ATOM 605 CG LYS A 38 3.886 -21.403 5.473 1.00 0.00 C ATOM 606 CD LYS A 38 3.783 -22.397 6.632 1.00 0.00 C ATOM 607 CE LYS A 38 3.111 -23.681 6.145 1.00 0.00 C ATOM 608 NZ LYS A 38 2.283 -24.256 7.242 1.00 0.00 N ATOM 0 H LYS A 38 4.639 -17.301 5.745 1.00 0.00 H new ATOM 0 HA LYS A 38 5.364 -19.565 3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.662 -20.442 6.245 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.165 -19.710 6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.890 -21.120 5.134 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.391 -21.868 4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.776 -22.619 7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.209 -21.961 7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.487 -23.471 5.276 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.865 -24.401 5.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.826 -25.129 6.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.890 -24.471 8.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.554 -23.569 7.523 1.00 0.00 H new ATOM 622 N ASP A 39 2.479 -18.285 5.001 1.00 0.00 N ATOM 623 CA ASP A 39 1.131 -18.018 4.537 1.00 0.00 C ATOM 624 C ASP A 39 1.126 -16.734 3.705 1.00 0.00 C ATOM 625 O ASP A 39 0.910 -15.660 4.228 1.00 0.00 O ATOM 626 CB ASP A 39 0.199 -17.853 5.740 1.00 0.00 C ATOM 627 CG ASP A 39 -0.400 -19.210 6.112 1.00 0.00 C ATOM 628 OD1 ASP A 39 -0.031 -20.191 5.487 1.00 0.00 O ATOM 629 OD2 ASP A 39 -1.219 -19.246 7.016 1.00 0.00 O ATOM 0 H ASP A 39 2.688 -17.953 5.943 1.00 0.00 H new ATOM 0 HA ASP A 39 0.785 -18.850 3.924 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.750 -17.442 6.586 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.596 -17.145 5.503 1.00 0.00 H new ATOM 634 N ARG A 40 1.384 -16.857 2.419 1.00 0.00 N ATOM 635 CA ARG A 40 1.424 -15.703 1.515 1.00 0.00 C ATOM 636 C ARG A 40 0.684 -14.497 2.096 1.00 0.00 C ATOM 637 O ARG A 40 1.210 -13.765 2.911 1.00 0.00 O ATOM 638 CB ARG A 40 0.810 -16.090 0.159 1.00 0.00 C ATOM 639 CG ARG A 40 -0.234 -17.195 0.355 1.00 0.00 C ATOM 640 CD ARG A 40 -0.915 -17.498 -0.980 1.00 0.00 C ATOM 641 NE ARG A 40 -1.026 -18.941 -1.159 1.00 0.00 N ATOM 642 CZ ARG A 40 0.007 -19.730 -0.997 1.00 0.00 C ATOM 643 NH1 ARG A 40 1.210 -19.237 -0.864 1.00 0.00 N ATOM 644 NH2 ARG A 40 -0.160 -21.024 -1.029 1.00 0.00 N ATOM 0 H ARG A 40 1.572 -17.750 1.963 1.00 0.00 H new ATOM 0 HA ARG A 40 2.467 -15.416 1.384 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.347 -15.218 -0.302 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.591 -16.432 -0.519 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.242 -18.095 0.744 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.975 -16.883 1.091 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.904 -17.041 -1.006 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.341 -17.063 -1.799 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.927 -19.344 -1.416 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.353 -18.227 -0.886 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.006 -19.862 -0.738 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.090 -21.415 -1.179 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.640 -21.645 -0.904 1.00 0.00 H new ATOM 658 N PHE A 41 -0.517 -14.278 1.674 1.00 0.00 N ATOM 659 CA PHE A 41 -1.269 -13.143 2.169 1.00 0.00 C ATOM 660 C PHE A 41 -1.136 -13.041 3.685 1.00 0.00 C ATOM 661 O PHE A 41 -1.421 -13.968 4.417 1.00 0.00 O ATOM 662 CB PHE A 41 -2.733 -13.292 1.770 1.00 0.00 C ATOM 663 CG PHE A 41 -2.834 -12.998 0.300 1.00 0.00 C ATOM 664 CD1 PHE A 41 -2.476 -11.732 -0.175 1.00 0.00 C ATOM 665 CD2 PHE A 41 -3.251 -13.993 -0.590 1.00 0.00 C ATOM 666 CE1 PHE A 41 -2.540 -11.459 -1.546 1.00 0.00 C ATOM 667 CE2 PHE A 41 -3.309 -13.723 -1.960 1.00 0.00 C ATOM 668 CZ PHE A 41 -2.955 -12.456 -2.438 1.00 0.00 C ATOM 0 H PHE A 41 -1.007 -14.858 0.993 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.871 -12.228 1.730 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.088 -14.300 1.984 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.358 -12.606 2.342 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.151 -10.967 0.515 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.528 -14.969 -0.219 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.270 -10.481 -1.916 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.627 -14.491 -2.649 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.002 -12.247 -3.496 1.00 0.00 H new ATOM 678 N THR A 42 -0.691 -11.910 4.151 1.00 0.00 N ATOM 679 CA THR A 42 -0.520 -11.714 5.573 1.00 0.00 C ATOM 680 C THR A 42 -1.388 -10.531 6.029 1.00 0.00 C ATOM 681 O THR A 42 -1.611 -10.331 7.206 1.00 0.00 O ATOM 682 CB THR A 42 0.980 -11.456 5.855 1.00 0.00 C ATOM 683 OG1 THR A 42 1.401 -12.282 6.930 1.00 0.00 O ATOM 684 CG2 THR A 42 1.253 -9.989 6.214 1.00 0.00 C ATOM 0 H THR A 42 -0.439 -11.108 3.574 1.00 0.00 H new ATOM 0 HA THR A 42 -0.835 -12.597 6.129 1.00 0.00 H new ATOM 0 HB THR A 42 1.535 -11.689 4.946 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.351 -12.124 7.112 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.318 -9.853 6.404 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.947 -9.349 5.386 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.688 -9.722 7.107 1.00 0.00 H new ATOM 692 N ILE A 43 -1.867 -9.739 5.106 1.00 0.00 N ATOM 693 CA ILE A 43 -2.678 -8.603 5.507 1.00 0.00 C ATOM 694 C ILE A 43 -3.690 -8.221 4.432 1.00 0.00 C ATOM 695 O ILE A 43 -3.525 -8.510 3.264 1.00 0.00 O ATOM 696 CB ILE A 43 -1.749 -7.414 5.813 1.00 0.00 C ATOM 697 CG1 ILE A 43 -1.999 -6.936 7.243 1.00 0.00 C ATOM 698 CG2 ILE A 43 -1.970 -6.227 4.840 1.00 0.00 C ATOM 699 CD1 ILE A 43 -1.413 -5.535 7.414 1.00 0.00 C ATOM 0 H ILE A 43 -1.721 -9.846 4.102 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.245 -8.877 6.397 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.723 -7.759 5.690 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.068 -6.924 7.453 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.542 -7.624 7.954 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.291 -5.414 5.098 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.775 -6.553 3.818 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.000 -5.879 4.919 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.589 -5.189 8.433 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.341 -5.563 7.220 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.891 -4.852 6.711 1.00 0.00 H new ATOM 711 N SER A 44 -4.714 -7.529 4.845 1.00 0.00 N ATOM 712 CA SER A 44 -5.718 -7.069 3.915 1.00 0.00 C ATOM 713 C SER A 44 -6.621 -6.051 4.616 1.00 0.00 C ATOM 714 O SER A 44 -7.500 -6.410 5.374 1.00 0.00 O ATOM 715 CB SER A 44 -6.552 -8.251 3.422 1.00 0.00 C ATOM 716 OG SER A 44 -6.892 -8.049 2.057 1.00 0.00 O ATOM 0 H SER A 44 -4.880 -7.269 5.817 1.00 0.00 H new ATOM 0 HA SER A 44 -5.234 -6.600 3.058 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.991 -9.179 3.536 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.456 -8.349 4.023 1.00 0.00 H new ATOM 0 HG SER A 44 -7.426 -8.806 1.737 1.00 0.00 H new ATOM 722 N HIS A 45 -6.421 -4.781 4.368 1.00 0.00 N ATOM 723 CA HIS A 45 -7.264 -3.788 5.011 1.00 0.00 C ATOM 724 C HIS A 45 -8.186 -3.143 3.980 1.00 0.00 C ATOM 725 O HIS A 45 -7.739 -2.539 3.024 1.00 0.00 O ATOM 726 CB HIS A 45 -6.446 -2.667 5.656 1.00 0.00 C ATOM 727 CG HIS A 45 -4.964 -2.892 5.539 1.00 0.00 C ATOM 728 ND1 HIS A 45 -4.136 -2.964 4.455 1.00 0.00 N flip ATOM 729 CD2 HIS A 45 -4.140 -2.983 6.650 1.00 0.00 C flip ATOM 730 CE1 HIS A 45 -2.816 -3.094 4.874 1.00 0.00 C flip ATOM 731 NE2 HIS A 45 -2.875 -3.097 6.206 1.00 0.00 N flip ATOM 0 H HIS A 45 -5.704 -4.411 3.744 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.830 -4.310 5.783 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.704 -1.718 5.186 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.715 -2.585 6.709 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.456 -2.966 7.683 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.935 -3.175 4.255 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -2.060 -3.176 6.814 1.00 0.00 H new ATOM 739 N MET A 46 -9.468 -3.228 4.191 1.00 0.00 N ATOM 740 CA MET A 46 -10.391 -2.604 3.268 1.00 0.00 C ATOM 741 C MET A 46 -10.199 -1.090 3.364 1.00 0.00 C ATOM 742 O MET A 46 -10.489 -0.495 4.366 1.00 0.00 O ATOM 743 CB MET A 46 -11.828 -2.970 3.642 1.00 0.00 C ATOM 744 CG MET A 46 -12.319 -4.103 2.739 1.00 0.00 C ATOM 745 SD MET A 46 -11.825 -5.694 3.446 1.00 0.00 S ATOM 746 CE MET A 46 -13.479 -6.261 3.911 1.00 0.00 C ATOM 0 H MET A 46 -9.899 -3.713 4.978 1.00 0.00 H new ATOM 0 HA MET A 46 -10.202 -2.948 2.251 1.00 0.00 H new ATOM 0 HB2 MET A 46 -11.876 -3.277 4.687 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.475 -2.100 3.536 1.00 0.00 H new ATOM 0 HG2 MET A 46 -13.403 -4.058 2.638 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.901 -3.992 1.738 1.00 0.00 H new ATOM 0 HE1 MET A 46 -13.409 -7.245 4.376 1.00 0.00 H new ATOM 0 HE2 MET A 46 -13.920 -5.557 4.617 1.00 0.00 H new ATOM 0 HE3 MET A 46 -14.106 -6.324 3.021 1.00 0.00 H new ATOM 756 N TYR A 47 -9.659 -0.488 2.343 1.00 0.00 N ATOM 757 CA TYR A 47 -9.390 0.945 2.365 1.00 0.00 C ATOM 758 C TYR A 47 -10.458 1.723 3.170 1.00 0.00 C ATOM 759 O TYR A 47 -10.130 2.646 3.885 1.00 0.00 O ATOM 760 CB TYR A 47 -9.312 1.464 0.922 1.00 0.00 C ATOM 761 CG TYR A 47 -7.872 1.405 0.399 1.00 0.00 C ATOM 762 CD1 TYR A 47 -6.767 1.397 1.278 1.00 0.00 C ATOM 763 CD2 TYR A 47 -7.639 1.363 -0.987 1.00 0.00 C ATOM 764 CE1 TYR A 47 -5.465 1.348 0.770 1.00 0.00 C ATOM 765 CE2 TYR A 47 -6.337 1.313 -1.483 1.00 0.00 C ATOM 766 CZ TYR A 47 -5.250 1.306 -0.607 1.00 0.00 C ATOM 767 OH TYR A 47 -3.963 1.260 -1.101 1.00 0.00 O ATOM 0 H TYR A 47 -9.391 -0.957 1.478 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.437 1.109 2.868 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.961 0.868 0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.677 2.490 0.880 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.928 1.429 2.345 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.474 1.370 -1.672 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.623 1.343 1.447 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.169 1.280 -2.549 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.782 2.072 -1.619 1.00 0.00 H new ATOM 777 N ALA A 48 -11.715 1.360 3.102 1.00 0.00 N ATOM 778 CA ALA A 48 -12.711 2.082 3.897 1.00 0.00 C ATOM 779 C ALA A 48 -12.413 1.813 5.381 1.00 0.00 C ATOM 780 O ALA A 48 -12.348 2.708 6.200 1.00 0.00 O ATOM 781 CB ALA A 48 -14.114 1.593 3.534 1.00 0.00 C ATOM 0 H ALA A 48 -12.077 0.598 2.529 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.664 3.152 3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.852 2.132 4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.299 1.772 2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.192 0.526 3.741 1.00 0.00 H new ATOM 787 N ASP A 49 -12.172 0.569 5.691 1.00 0.00 N ATOM 788 CA ASP A 49 -11.809 0.177 7.051 1.00 0.00 C ATOM 789 C ASP A 49 -10.517 0.909 7.461 1.00 0.00 C ATOM 790 O ASP A 49 -10.087 0.847 8.596 1.00 0.00 O ATOM 791 CB ASP A 49 -11.564 -1.332 7.106 1.00 0.00 C ATOM 792 CG ASP A 49 -12.834 -2.075 6.686 1.00 0.00 C ATOM 793 OD1 ASP A 49 -13.739 -1.427 6.188 1.00 0.00 O ATOM 794 OD2 ASP A 49 -12.879 -3.281 6.869 1.00 0.00 O ATOM 0 H ASP A 49 -12.217 -0.204 5.027 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.620 0.440 7.730 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.739 -1.601 6.447 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.275 -1.627 8.115 1.00 0.00 H new ATOM 799 N ILE A 50 -9.917 1.621 6.543 1.00 0.00 N ATOM 800 CA ILE A 50 -8.715 2.363 6.851 1.00 0.00 C ATOM 801 C ILE A 50 -8.959 3.829 6.472 1.00 0.00 C ATOM 802 O ILE A 50 -9.082 4.131 5.303 1.00 0.00 O ATOM 803 CB ILE A 50 -7.537 1.830 6.024 1.00 0.00 C ATOM 804 CG1 ILE A 50 -7.825 0.406 5.547 1.00 0.00 C ATOM 805 CG2 ILE A 50 -6.288 1.812 6.894 1.00 0.00 C ATOM 806 CD1 ILE A 50 -7.877 -0.530 6.754 1.00 0.00 C ATOM 0 H ILE A 50 -10.237 1.705 5.578 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.479 2.262 7.910 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.390 2.476 5.158 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.772 0.375 5.007 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.051 0.079 4.852 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.446 1.434 6.314 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.068 2.823 7.236 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.454 1.165 7.756 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.082 -1.546 6.418 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.920 -0.506 7.274 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.666 -0.206 7.432 1.00 0.00 H new ATOM 818 N LYS A 51 -9.022 4.769 7.396 1.00 0.00 N ATOM 819 CA LYS A 51 -9.244 6.121 6.924 1.00 0.00 C ATOM 820 C LYS A 51 -8.251 7.115 7.508 1.00 0.00 C ATOM 821 O LYS A 51 -8.378 7.600 8.615 1.00 0.00 O ATOM 822 CB LYS A 51 -10.646 6.590 7.282 1.00 0.00 C ATOM 823 CG LYS A 51 -10.985 7.773 6.379 1.00 0.00 C ATOM 824 CD LYS A 51 -10.140 8.986 6.778 1.00 0.00 C ATOM 825 CE LYS A 51 -10.825 10.269 6.307 1.00 0.00 C ATOM 826 NZ LYS A 51 -10.499 11.378 7.246 1.00 0.00 N ATOM 0 H LYS A 51 -8.931 4.640 8.404 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.111 6.088 5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.366 5.784 7.142 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.695 6.883 8.331 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.797 7.513 5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.045 8.013 6.461 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.008 9.009 7.860 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.146 8.910 6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.494 10.522 5.300 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.904 10.122 6.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.964 12.251 6.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.835 11.135 8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.469 11.523 7.268 1.00 0.00 H new ATOM 840 N CYS A 52 -7.317 7.465 6.696 1.00 0.00 N ATOM 841 CA CYS A 52 -6.331 8.459 7.015 1.00 0.00 C ATOM 842 C CYS A 52 -5.344 8.407 5.873 1.00 0.00 C ATOM 843 O CYS A 52 -4.966 7.327 5.462 1.00 0.00 O ATOM 844 CB CYS A 52 -5.662 8.139 8.322 1.00 0.00 C ATOM 845 SG CYS A 52 -6.284 9.244 9.614 1.00 0.00 S ATOM 0 H CYS A 52 -7.207 7.063 5.765 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.766 9.452 7.130 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.853 7.101 8.595 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.582 8.249 8.225 1.00 0.00 H new ATOM 0 HG CYS A 52 -7.573 9.110 9.716 1.00 0.00 H new ATOM 851 N GLN A 53 -4.942 9.496 5.314 1.00 0.00 N ATOM 852 CA GLN A 53 -4.048 9.365 4.187 1.00 0.00 C ATOM 853 C GLN A 53 -3.000 10.465 4.155 1.00 0.00 C ATOM 854 O GLN A 53 -3.285 11.645 4.193 1.00 0.00 O ATOM 855 CB GLN A 53 -4.854 9.429 2.886 1.00 0.00 C ATOM 856 CG GLN A 53 -6.180 8.680 3.045 1.00 0.00 C ATOM 857 CD GLN A 53 -7.260 9.640 3.552 1.00 0.00 C ATOM 858 OE1 GLN A 53 -7.103 10.267 4.580 1.00 0.00 O ATOM 859 NE2 GLN A 53 -8.359 9.784 2.865 1.00 0.00 N ATOM 0 H GLN A 53 -5.194 10.445 5.590 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.538 8.407 4.288 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.045 10.468 2.620 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.277 8.992 2.071 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.482 8.250 2.090 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.059 7.852 3.744 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.493 9.258 2.001 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.085 10.422 3.191 1.00 0.00 H new ATOM 868 N LYS A 54 -1.775 10.041 4.050 1.00 0.00 N ATOM 869 CA LYS A 54 -0.662 10.949 3.972 1.00 0.00 C ATOM 870 C LYS A 54 0.346 10.313 3.012 1.00 0.00 C ATOM 871 O LYS A 54 0.925 9.286 3.307 1.00 0.00 O ATOM 872 CB LYS A 54 -0.055 11.106 5.377 1.00 0.00 C ATOM 873 CG LYS A 54 1.456 11.342 5.291 1.00 0.00 C ATOM 874 CD LYS A 54 1.891 12.292 6.409 1.00 0.00 C ATOM 875 CE LYS A 54 3.118 11.717 7.119 1.00 0.00 C ATOM 876 NZ LYS A 54 4.153 12.780 7.259 1.00 0.00 N ATOM 0 H LYS A 54 -1.516 9.055 4.016 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.954 11.937 3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.530 11.941 5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.255 10.212 5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.988 10.395 5.378 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.714 11.765 4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.123 13.274 5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.077 12.430 7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.838 11.335 8.101 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.519 10.876 6.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.988 12.390 7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.427 13.124 6.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.767 13.569 7.817 1.00 0.00 H new ATOM 890 N ILE A 55 0.555 10.896 1.865 1.00 0.00 N ATOM 891 CA ILE A 55 1.489 10.302 0.929 1.00 0.00 C ATOM 892 C ILE A 55 2.285 11.393 0.227 1.00 0.00 C ATOM 893 O ILE A 55 1.806 12.041 -0.682 1.00 0.00 O ATOM 894 CB ILE A 55 0.725 9.493 -0.123 1.00 0.00 C ATOM 895 CG1 ILE A 55 -0.557 8.925 0.491 1.00 0.00 C ATOM 896 CG2 ILE A 55 1.602 8.343 -0.618 1.00 0.00 C ATOM 897 CD1 ILE A 55 -0.195 7.853 1.516 1.00 0.00 C ATOM 0 H ILE A 55 0.109 11.759 1.554 1.00 0.00 H new ATOM 0 HA ILE A 55 2.167 9.648 1.478 1.00 0.00 H new ATOM 0 HB ILE A 55 0.468 10.144 -0.959 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.129 9.721 0.967 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.190 8.500 -0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.058 7.767 -1.367 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.513 8.745 -1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.861 7.696 0.220 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.106 7.447 1.955 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.359 7.053 1.025 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.421 8.293 2.301 1.00 0.00 H new ATOM 909 N SER A 56 3.503 11.588 0.626 1.00 0.00 N ATOM 910 CA SER A 56 4.314 12.595 -0.020 1.00 0.00 C ATOM 911 C SER A 56 5.563 11.969 -0.664 1.00 0.00 C ATOM 912 O SER A 56 6.563 12.642 -0.801 1.00 0.00 O ATOM 913 CB SER A 56 4.744 13.636 1.010 1.00 0.00 C ATOM 914 OG SER A 56 4.097 13.369 2.247 1.00 0.00 O ATOM 0 H SER A 56 3.960 11.078 1.382 1.00 0.00 H new ATOM 0 HA SER A 56 3.720 13.065 -0.804 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.826 13.611 1.140 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.488 14.637 0.661 1.00 0.00 H new ATOM 0 HG SER A 56 4.373 14.035 2.911 1.00 0.00 H new ATOM 920 N PRO A 57 5.492 10.709 -1.044 1.00 0.00 N ATOM 921 CA PRO A 57 6.719 10.139 -1.649 1.00 0.00 C ATOM 922 C PRO A 57 7.032 10.775 -2.999 1.00 0.00 C ATOM 923 O PRO A 57 8.043 10.484 -3.607 1.00 0.00 O ATOM 924 CB PRO A 57 6.479 8.641 -1.790 1.00 0.00 C ATOM 925 CG PRO A 57 5.068 8.344 -1.268 1.00 0.00 C ATOM 926 CD PRO A 57 4.468 9.664 -0.775 1.00 0.00 C ATOM 0 HA PRO A 57 7.584 10.340 -1.017 1.00 0.00 H new ATOM 0 HB2 PRO A 57 6.574 8.335 -2.832 1.00 0.00 H new ATOM 0 HB3 PRO A 57 7.222 8.080 -1.224 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.451 7.914 -2.057 1.00 0.00 H new ATOM 0 HG3 PRO A 57 5.105 7.615 -0.459 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.537 9.887 -1.296 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.234 9.613 0.288 1.00 0.00 H new ATOM 934 N GLU A 58 6.199 11.651 -3.471 1.00 0.00 N ATOM 935 CA GLU A 58 6.484 12.285 -4.736 1.00 0.00 C ATOM 936 C GLU A 58 7.896 12.880 -4.672 1.00 0.00 C ATOM 937 O GLU A 58 8.586 12.983 -5.666 1.00 0.00 O ATOM 938 CB GLU A 58 5.437 13.382 -4.995 1.00 0.00 C ATOM 939 CG GLU A 58 5.943 14.752 -4.522 1.00 0.00 C ATOM 940 CD GLU A 58 6.682 15.447 -5.667 1.00 0.00 C ATOM 941 OE1 GLU A 58 6.292 15.247 -6.806 1.00 0.00 O ATOM 942 OE2 GLU A 58 7.626 16.167 -5.386 1.00 0.00 O ATOM 0 H GLU A 58 5.333 11.943 -3.017 1.00 0.00 H new ATOM 0 HA GLU A 58 6.438 11.564 -5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.206 13.424 -6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.511 13.134 -4.477 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.106 15.366 -4.190 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.608 14.630 -3.667 1.00 0.00 H new ATOM 949 N GLY A 59 8.340 13.234 -3.493 1.00 0.00 N ATOM 950 CA GLY A 59 9.684 13.767 -3.336 1.00 0.00 C ATOM 951 C GLY A 59 10.271 13.283 -1.999 1.00 0.00 C ATOM 952 O GLY A 59 10.846 14.060 -1.263 1.00 0.00 O ATOM 0 H GLY A 59 7.801 13.167 -2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.315 13.441 -4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.661 14.856 -3.363 1.00 0.00 H new ATOM 956 N LYS A 60 10.103 12.033 -1.641 1.00 0.00 N ATOM 957 CA LYS A 60 10.618 11.595 -0.346 1.00 0.00 C ATOM 958 C LYS A 60 11.731 10.549 -0.470 1.00 0.00 C ATOM 959 O LYS A 60 12.158 10.177 -1.545 1.00 0.00 O ATOM 960 CB LYS A 60 9.482 10.993 0.483 1.00 0.00 C ATOM 961 CG LYS A 60 8.452 12.076 0.798 1.00 0.00 C ATOM 962 CD LYS A 60 8.773 12.701 2.158 1.00 0.00 C ATOM 963 CE LYS A 60 7.669 13.688 2.542 1.00 0.00 C ATOM 964 NZ LYS A 60 8.110 14.501 3.709 1.00 0.00 N ATOM 0 H LYS A 60 9.634 11.317 -2.196 1.00 0.00 H new ATOM 0 HA LYS A 60 11.037 12.477 0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.011 10.177 -0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.876 10.571 1.408 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.463 12.841 0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.450 11.648 0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.859 11.923 2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.734 13.213 2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.440 14.339 1.698 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.754 13.149 2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.359 15.171 3.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.308 13.873 4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.972 15.027 3.460 1.00 0.00 H new ATOM 978 N ALA A 61 12.184 10.098 0.676 1.00 0.00 N ATOM 979 CA ALA A 61 13.241 9.104 0.761 1.00 0.00 C ATOM 980 C ALA A 61 13.193 8.155 -0.438 1.00 0.00 C ATOM 981 O ALA A 61 14.061 8.182 -1.286 1.00 0.00 O ATOM 982 CB ALA A 61 13.074 8.300 2.051 1.00 0.00 C ATOM 0 H ALA A 61 11.832 10.408 1.582 1.00 0.00 H new ATOM 0 HA ALA A 61 14.203 9.616 0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.865 7.553 2.119 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.134 8.971 2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.104 7.802 2.047 1.00 0.00 H new ATOM 988 N LYS A 62 12.190 7.319 -0.533 1.00 0.00 N ATOM 989 CA LYS A 62 12.137 6.420 -1.672 1.00 0.00 C ATOM 990 C LYS A 62 10.757 5.803 -1.854 1.00 0.00 C ATOM 991 O LYS A 62 10.683 4.657 -2.178 1.00 0.00 O ATOM 992 CB LYS A 62 13.140 5.266 -1.522 1.00 0.00 C ATOM 993 CG LYS A 62 13.591 5.140 -0.061 1.00 0.00 C ATOM 994 CD LYS A 62 14.844 5.979 0.175 1.00 0.00 C ATOM 995 CE LYS A 62 15.987 5.072 0.635 1.00 0.00 C ATOM 996 NZ LYS A 62 15.620 4.425 1.926 1.00 0.00 N ATOM 0 H LYS A 62 11.423 7.237 0.134 1.00 0.00 H new ATOM 0 HA LYS A 62 12.384 7.031 -2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.683 4.333 -1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.004 5.440 -2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.793 5.470 0.604 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.793 4.096 0.177 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.124 6.499 -0.741 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.647 6.743 0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.189 4.312 -0.120 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.901 5.653 0.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.481 4.246 2.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.987 5.053 2.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.136 3.524 1.738 1.00 0.00 H new ATOM 1010 N ILE A 63 9.670 6.517 -1.677 1.00 0.00 N ATOM 1011 CA ILE A 63 8.343 5.938 -1.889 1.00 0.00 C ATOM 1012 C ILE A 63 7.786 5.235 -0.633 1.00 0.00 C ATOM 1013 O ILE A 63 7.822 4.033 -0.469 1.00 0.00 O ATOM 1014 CB ILE A 63 8.281 5.093 -3.174 1.00 0.00 C ATOM 1015 CG1 ILE A 63 8.664 3.601 -2.943 1.00 0.00 C ATOM 1016 CG2 ILE A 63 9.195 5.744 -4.223 1.00 0.00 C ATOM 1017 CD1 ILE A 63 9.741 3.138 -3.963 1.00 0.00 C ATOM 0 H ILE A 63 9.667 7.495 -1.388 1.00 0.00 H new ATOM 0 HA ILE A 63 7.655 6.766 -2.057 1.00 0.00 H new ATOM 0 HB ILE A 63 7.249 5.076 -3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.040 3.471 -1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.776 2.975 -3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.166 5.160 -5.143 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.851 6.758 -4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.217 5.776 -3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.990 2.093 -3.780 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.353 3.246 -4.976 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.636 3.750 -3.850 1.00 0.00 H new ATOM 1029 N GLN A 64 7.254 6.050 0.249 1.00 0.00 N ATOM 1030 CA GLN A 64 6.670 5.567 1.495 1.00 0.00 C ATOM 1031 C GLN A 64 5.307 6.235 1.714 1.00 0.00 C ATOM 1032 O GLN A 64 5.165 7.432 1.571 1.00 0.00 O ATOM 1033 CB GLN A 64 7.601 5.903 2.666 1.00 0.00 C ATOM 1034 CG GLN A 64 7.480 7.387 3.026 1.00 0.00 C ATOM 1035 CD GLN A 64 7.999 8.241 1.867 1.00 0.00 C ATOM 1036 OE1 GLN A 64 7.420 9.258 1.540 1.00 0.00 O ATOM 1037 NE2 GLN A 64 9.074 7.868 1.228 1.00 0.00 N ATOM 0 H GLN A 64 7.210 7.062 0.131 1.00 0.00 H new ATOM 0 HA GLN A 64 6.540 4.486 1.438 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.347 5.289 3.530 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.632 5.668 2.400 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.440 7.637 3.238 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.049 7.600 3.931 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.560 7.014 1.502 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.428 8.430 0.454 1.00 0.00 H new ATOM 1046 N LEU A 65 4.299 5.477 2.061 1.00 0.00 N ATOM 1047 CA LEU A 65 2.994 6.079 2.269 1.00 0.00 C ATOM 1048 C LEU A 65 2.513 5.840 3.713 1.00 0.00 C ATOM 1049 O LEU A 65 3.060 5.020 4.434 1.00 0.00 O ATOM 1050 CB LEU A 65 1.985 5.500 1.252 1.00 0.00 C ATOM 1051 CG LEU A 65 1.983 3.959 1.243 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.218 3.435 0.510 1.00 0.00 C ATOM 1053 CD2 LEU A 65 1.963 3.397 2.658 1.00 0.00 C ATOM 0 H LEU A 65 4.345 4.468 2.204 1.00 0.00 H new ATOM 0 HA LEU A 65 3.070 7.155 2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.985 5.861 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.227 5.867 0.254 1.00 0.00 H new ATOM 0 HG LEU A 65 1.081 3.632 0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.206 2.345 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.212 3.798 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.118 3.788 1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.962 2.308 2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.846 3.739 3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.067 3.741 3.174 1.00 0.00 H new ATOM 1065 N GLN A 66 1.484 6.541 4.130 1.00 0.00 N ATOM 1066 CA GLN A 66 0.967 6.361 5.477 1.00 0.00 C ATOM 1067 C GLN A 66 -0.559 6.545 5.474 1.00 0.00 C ATOM 1068 O GLN A 66 -1.079 7.539 5.007 1.00 0.00 O ATOM 1069 CB GLN A 66 1.603 7.389 6.417 1.00 0.00 C ATOM 1070 CG GLN A 66 2.042 6.698 7.712 1.00 0.00 C ATOM 1071 CD GLN A 66 2.493 7.752 8.725 1.00 0.00 C ATOM 1072 OE1 GLN A 66 3.673 7.985 8.892 1.00 0.00 O ATOM 1073 NE2 GLN A 66 1.596 8.405 9.413 1.00 0.00 N ATOM 0 H GLN A 66 0.990 7.234 3.568 1.00 0.00 H new ATOM 0 HA GLN A 66 1.211 5.356 5.822 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.461 7.857 5.934 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.890 8.183 6.640 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.219 6.113 8.122 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.856 6.003 7.508 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.605 8.210 9.273 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.887 9.110 10.090 1.00 0.00 H new ATOM 1082 N LEU A 67 -1.270 5.580 5.988 1.00 0.00 N ATOM 1083 CA LEU A 67 -2.712 5.651 6.026 1.00 0.00 C ATOM 1084 C LEU A 67 -3.128 5.168 7.407 1.00 0.00 C ATOM 1085 O LEU A 67 -2.445 4.375 8.022 1.00 0.00 O ATOM 1086 CB LEU A 67 -3.271 4.766 4.889 1.00 0.00 C ATOM 1087 CG LEU A 67 -4.564 4.034 5.283 1.00 0.00 C ATOM 1088 CD1 LEU A 67 -5.731 4.568 4.450 1.00 0.00 C ATOM 1089 CD2 LEU A 67 -4.388 2.543 4.990 1.00 0.00 C ATOM 0 H LEU A 67 -0.876 4.729 6.389 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.101 6.657 5.870 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.463 5.386 4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.517 4.033 4.602 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.770 4.193 6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.647 4.048 4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.850 5.636 4.633 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.529 4.401 3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.297 2.008 5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.191 2.402 3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.550 2.155 5.569 1.00 0.00 H new ATOM 1101 N VAL A 68 -4.215 5.648 7.918 1.00 0.00 N ATOM 1102 CA VAL A 68 -4.599 5.210 9.252 1.00 0.00 C ATOM 1103 C VAL A 68 -5.957 4.551 9.245 1.00 0.00 C ATOM 1104 O VAL A 68 -6.778 4.743 8.373 1.00 0.00 O ATOM 1105 CB VAL A 68 -4.607 6.362 10.263 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.470 5.815 11.677 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -3.420 7.257 10.015 1.00 0.00 C ATOM 0 H VAL A 68 -4.841 6.316 7.468 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.845 4.486 9.560 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.543 6.910 10.152 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.477 6.641 12.389 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.303 5.145 11.890 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.532 5.267 11.766 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.426 8.076 10.734 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.501 6.682 10.127 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.474 7.661 9.004 1.00 0.00 H new ATOM 1117 N LEU A 69 -6.169 3.767 10.238 1.00 0.00 N ATOM 1118 CA LEU A 69 -7.402 3.054 10.385 1.00 0.00 C ATOM 1119 C LEU A 69 -8.398 3.973 11.088 1.00 0.00 C ATOM 1120 O LEU A 69 -8.019 4.728 11.962 1.00 0.00 O ATOM 1121 CB LEU A 69 -7.142 1.832 11.275 1.00 0.00 C ATOM 1122 CG LEU A 69 -6.254 0.782 10.572 1.00 0.00 C ATOM 1123 CD1 LEU A 69 -7.091 -0.075 9.652 1.00 0.00 C ATOM 1124 CD2 LEU A 69 -5.146 1.421 9.735 1.00 0.00 C ATOM 0 H LEU A 69 -5.492 3.595 10.982 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.792 2.741 9.417 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.662 2.153 12.199 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.093 1.376 11.551 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.799 0.185 11.362 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.454 -0.812 9.162 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.859 -0.587 10.231 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.564 0.555 8.898 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.551 0.640 9.262 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.590 2.054 8.967 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.506 2.025 10.378 1.00 0.00 H new ATOM 1136 N HIS A 70 -9.668 3.912 10.757 1.00 0.00 N ATOM 1137 CA HIS A 70 -10.619 4.760 11.461 1.00 0.00 C ATOM 1138 C HIS A 70 -10.332 4.565 12.950 1.00 0.00 C ATOM 1139 O HIS A 70 -10.376 5.475 13.753 1.00 0.00 O ATOM 1140 CB HIS A 70 -12.049 4.323 11.139 1.00 0.00 C ATOM 1141 CG HIS A 70 -12.099 2.825 11.013 1.00 0.00 C ATOM 1142 ND1 HIS A 70 -12.042 1.988 12.116 1.00 0.00 N ATOM 1143 CD2 HIS A 70 -12.200 2.000 9.920 1.00 0.00 C ATOM 1144 CE1 HIS A 70 -12.108 0.721 11.667 1.00 0.00 C ATOM 1145 NE2 HIS A 70 -12.205 0.671 10.335 1.00 0.00 N ATOM 0 H HIS A 70 -10.062 3.310 10.034 1.00 0.00 H new ATOM 0 HA HIS A 70 -10.520 5.805 11.167 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.728 4.655 11.924 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -12.383 4.788 10.211 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -12.266 2.332 8.894 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -12.085 -0.150 12.306 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.269 -0.161 9.749 1.00 0.00 H new ATOM 1153 N ALA A 71 -9.986 3.353 13.276 1.00 0.00 N ATOM 1154 CA ALA A 71 -9.631 3.024 14.634 1.00 0.00 C ATOM 1155 C ALA A 71 -8.305 3.724 14.948 1.00 0.00 C ATOM 1156 O ALA A 71 -8.002 4.764 14.398 1.00 0.00 O ATOM 1157 CB ALA A 71 -9.466 1.509 14.774 1.00 0.00 C ATOM 0 H ALA A 71 -9.941 2.572 12.621 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.409 3.350 15.324 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.198 1.266 15.802 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.403 1.016 14.517 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.679 1.165 14.103 1.00 0.00 H new ATOM 1163 N GLY A 72 -7.530 3.190 15.844 1.00 0.00 N ATOM 1164 CA GLY A 72 -6.276 3.835 16.205 1.00 0.00 C ATOM 1165 C GLY A 72 -5.127 3.007 15.656 1.00 0.00 C ATOM 1166 O GLY A 72 -4.239 2.574 16.363 1.00 0.00 O ATOM 0 H GLY A 72 -7.728 2.321 16.340 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.241 4.846 15.799 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.194 3.923 17.288 1.00 0.00 H new ATOM 1170 N ASP A 73 -5.182 2.768 14.391 1.00 0.00 N ATOM 1171 CA ASP A 73 -4.166 1.960 13.768 1.00 0.00 C ATOM 1172 C ASP A 73 -3.617 2.672 12.550 1.00 0.00 C ATOM 1173 O ASP A 73 -4.338 3.276 11.797 1.00 0.00 O ATOM 1174 CB ASP A 73 -4.765 0.616 13.353 1.00 0.00 C ATOM 1175 CG ASP A 73 -4.667 -0.369 14.519 1.00 0.00 C ATOM 1176 OD1 ASP A 73 -4.232 0.043 15.582 1.00 0.00 O ATOM 1177 OD2 ASP A 73 -5.030 -1.518 14.330 1.00 0.00 O ATOM 0 H ASP A 73 -5.909 3.113 13.764 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.356 1.792 14.477 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.807 0.745 13.059 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.236 0.222 12.485 1.00 0.00 H new ATOM 1182 N THR A 74 -2.339 2.604 12.364 1.00 0.00 N ATOM 1183 CA THR A 74 -1.751 3.259 11.224 1.00 0.00 C ATOM 1184 C THR A 74 -1.312 2.198 10.235 1.00 0.00 C ATOM 1185 O THR A 74 -1.071 1.061 10.591 1.00 0.00 O ATOM 1186 CB THR A 74 -0.543 4.100 11.649 1.00 0.00 C ATOM 1187 OG1 THR A 74 -0.668 4.448 13.021 1.00 0.00 O ATOM 1188 CG2 THR A 74 -0.482 5.372 10.798 1.00 0.00 C ATOM 0 H THR A 74 -1.684 2.112 12.972 1.00 0.00 H new ATOM 0 HA THR A 74 -2.485 3.923 10.768 1.00 0.00 H new ATOM 0 HB THR A 74 0.371 3.525 11.504 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.105 4.985 13.294 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.377 5.971 11.100 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.385 5.102 9.746 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.395 5.950 10.941 1.00 0.00 H new ATOM 1196 N THR A 75 -1.175 2.563 9.002 1.00 0.00 N ATOM 1197 CA THR A 75 -0.730 1.627 8.011 1.00 0.00 C ATOM 1198 C THR A 75 0.444 2.304 7.317 1.00 0.00 C ATOM 1199 O THR A 75 0.262 3.225 6.546 1.00 0.00 O ATOM 1200 CB THR A 75 -1.851 1.360 7.002 1.00 0.00 C ATOM 1201 OG1 THR A 75 -3.104 1.393 7.670 1.00 0.00 O ATOM 1202 CG2 THR A 75 -1.648 -0.015 6.362 1.00 0.00 C ATOM 0 H THR A 75 -1.364 3.502 8.653 1.00 0.00 H new ATOM 0 HA THR A 75 -0.449 0.670 8.450 1.00 0.00 H new ATOM 0 HB THR A 75 -1.832 2.125 6.226 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.669 0.663 7.342 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.446 -0.204 5.644 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.686 -0.039 5.850 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.667 -0.783 7.136 1.00 0.00 H new ATOM 1210 N ASN A 76 1.646 1.886 7.578 1.00 0.00 N ATOM 1211 CA ASN A 76 2.770 2.530 6.941 1.00 0.00 C ATOM 1212 C ASN A 76 3.397 1.549 5.968 1.00 0.00 C ATOM 1213 O ASN A 76 3.513 0.373 6.251 1.00 0.00 O ATOM 1214 CB ASN A 76 3.799 2.935 7.998 1.00 0.00 C ATOM 1215 CG ASN A 76 3.100 3.698 9.124 1.00 0.00 C ATOM 1216 OD1 ASN A 76 2.095 3.255 9.642 1.00 0.00 O ATOM 1217 ND2 ASN A 76 3.594 4.837 9.528 1.00 0.00 N ATOM 0 H ASN A 76 1.878 1.121 8.211 1.00 0.00 H new ATOM 0 HA ASN A 76 2.439 3.423 6.411 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.294 2.050 8.397 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.573 3.557 7.548 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.136 5.354 10.278 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.438 5.210 9.093 1.00 0.00 H new ATOM 1224 N PHE A 77 3.799 2.006 4.824 1.00 0.00 N ATOM 1225 CA PHE A 77 4.391 1.081 3.888 1.00 0.00 C ATOM 1226 C PHE A 77 5.417 1.790 3.003 1.00 0.00 C ATOM 1227 O PHE A 77 5.278 2.946 2.656 1.00 0.00 O ATOM 1228 CB PHE A 77 3.294 0.421 3.059 1.00 0.00 C ATOM 1229 CG PHE A 77 3.265 -1.042 3.402 1.00 0.00 C ATOM 1230 CD1 PHE A 77 4.468 -1.740 3.465 1.00 0.00 C ATOM 1231 CD2 PHE A 77 2.053 -1.705 3.654 1.00 0.00 C ATOM 1232 CE1 PHE A 77 4.475 -3.096 3.769 1.00 0.00 C ATOM 1233 CE2 PHE A 77 2.061 -3.066 3.961 1.00 0.00 C ATOM 1234 CZ PHE A 77 3.278 -3.758 4.015 1.00 0.00 C ATOM 0 H PHE A 77 3.736 2.976 4.515 1.00 0.00 H new ATOM 0 HA PHE A 77 4.922 0.303 4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.329 0.881 3.271 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.486 0.559 1.995 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.399 -1.226 3.277 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.119 -1.164 3.610 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.410 -3.635 3.814 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.133 -3.584 4.156 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.286 -4.812 4.249 1.00 0.00 H new ATOM 1244 N HIS A 78 6.484 1.102 2.706 1.00 0.00 N ATOM 1245 CA HIS A 78 7.549 1.720 1.936 1.00 0.00 C ATOM 1246 C HIS A 78 8.165 0.746 0.924 1.00 0.00 C ATOM 1247 O HIS A 78 8.016 -0.452 1.010 1.00 0.00 O ATOM 1248 CB HIS A 78 8.633 2.199 2.918 1.00 0.00 C ATOM 1249 CG HIS A 78 9.888 2.558 2.179 1.00 0.00 C ATOM 1250 ND1 HIS A 78 10.687 1.589 1.621 1.00 0.00 N ATOM 1251 CD2 HIS A 78 10.521 3.757 1.929 1.00 0.00 C ATOM 1252 CE1 HIS A 78 11.741 2.194 1.079 1.00 0.00 C ATOM 1253 NE2 HIS A 78 11.697 3.518 1.233 1.00 0.00 N ATOM 0 H HIS A 78 6.647 0.132 2.975 1.00 0.00 H new ATOM 0 HA HIS A 78 7.134 2.554 1.370 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.272 3.064 3.475 1.00 0.00 H new ATOM 0 HB3 HIS A 78 8.844 1.416 3.647 1.00 0.00 H new ATOM 0 HD1 HIS A 78 10.505 0.585 1.622 1.00 0.00 H new ATOM 0 HD2 HIS A 78 10.158 4.729 2.228 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.540 1.673 0.573 1.00 0.00 H new ATOM 1261 N PHE A 79 8.878 1.289 -0.023 1.00 0.00 N ATOM 1262 CA PHE A 79 9.545 0.485 -1.031 1.00 0.00 C ATOM 1263 C PHE A 79 10.835 1.225 -1.456 1.00 0.00 C ATOM 1264 O PHE A 79 10.825 2.433 -1.555 1.00 0.00 O ATOM 1265 CB PHE A 79 8.702 0.388 -2.294 1.00 0.00 C ATOM 1266 CG PHE A 79 7.209 0.287 -2.067 1.00 0.00 C ATOM 1267 CD1 PHE A 79 6.489 1.308 -1.425 1.00 0.00 C ATOM 1268 CD2 PHE A 79 6.530 -0.805 -2.611 1.00 0.00 C ATOM 1269 CE1 PHE A 79 5.086 1.217 -1.327 1.00 0.00 C ATOM 1270 CE2 PHE A 79 5.143 -0.903 -2.502 1.00 0.00 C ATOM 1271 CZ PHE A 79 4.420 0.103 -1.865 1.00 0.00 C ATOM 0 H PHE A 79 9.018 2.294 -0.125 1.00 0.00 H new ATOM 0 HA PHE A 79 9.728 -0.504 -0.612 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.901 1.263 -2.912 1.00 0.00 H new ATOM 0 HB3 PHE A 79 9.027 -0.484 -2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.008 2.159 -1.009 1.00 0.00 H new ATOM 0 HD2 PHE A 79 7.083 -1.580 -3.120 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.525 2.001 -0.840 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.629 -1.760 -2.912 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.346 0.026 -1.785 1.00 0.00 H new ATOM 1281 N SER A 80 11.928 0.556 -1.777 1.00 0.00 N ATOM 1282 CA SER A 80 13.101 1.306 -2.251 1.00 0.00 C ATOM 1283 C SER A 80 14.239 0.367 -2.655 1.00 0.00 C ATOM 1284 O SER A 80 15.387 0.632 -2.359 1.00 0.00 O ATOM 1285 CB SER A 80 13.636 2.239 -1.188 1.00 0.00 C ATOM 1286 OG SER A 80 14.634 3.077 -1.757 1.00 0.00 O ATOM 0 H SER A 80 12.039 -0.457 -1.726 1.00 0.00 H new ATOM 0 HA SER A 80 12.761 1.880 -3.113 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.827 2.844 -0.778 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.055 1.665 -0.361 1.00 0.00 H new ATOM 0 HG SER A 80 15.407 2.534 -2.019 1.00 0.00 H new ATOM 1292 N ASN A 81 13.958 -0.712 -3.309 1.00 0.00 N ATOM 1293 CA ASN A 81 15.035 -1.612 -3.695 1.00 0.00 C ATOM 1294 C ASN A 81 16.190 -0.814 -4.296 1.00 0.00 C ATOM 1295 O ASN A 81 15.987 0.198 -4.934 1.00 0.00 O ATOM 1296 CB ASN A 81 14.535 -2.617 -4.725 1.00 0.00 C ATOM 1297 CG ASN A 81 14.436 -3.983 -4.073 1.00 0.00 C ATOM 1298 OD1 ASN A 81 14.186 -4.052 -2.804 1.00 0.00 O flip ATOM 1299 ND2 ASN A 81 14.586 -4.998 -4.724 1.00 0.00 N flip ATOM 0 H ASN A 81 13.021 -1.002 -3.589 1.00 0.00 H new ATOM 0 HA ASN A 81 15.379 -2.143 -2.807 1.00 0.00 H new ATOM 0 HB2 ASN A 81 13.561 -2.311 -5.108 1.00 0.00 H new ATOM 0 HB3 ASN A 81 15.215 -2.654 -5.576 1.00 0.00 H new ATOM 0 HD21 ASN A 81 14.783 -4.939 -5.723 1.00 0.00 H new ATOM 0 HD22 ASN A 81 14.515 -5.909 -4.271 1.00 0.00 H new ATOM 1306 N GLU A 82 17.401 -1.267 -4.095 1.00 0.00 N ATOM 1307 CA GLU A 82 18.549 -0.561 -4.637 1.00 0.00 C ATOM 1308 C GLU A 82 18.234 -0.079 -6.053 1.00 0.00 C ATOM 1309 O GLU A 82 18.439 1.071 -6.387 1.00 0.00 O ATOM 1310 CB GLU A 82 19.756 -1.502 -4.675 1.00 0.00 C ATOM 1311 CG GLU A 82 19.919 -2.180 -3.313 1.00 0.00 C ATOM 1312 CD GLU A 82 21.370 -2.047 -2.847 1.00 0.00 C ATOM 1313 OE1 GLU A 82 22.251 -2.411 -3.608 1.00 0.00 O ATOM 1314 OE2 GLU A 82 21.575 -1.584 -1.737 1.00 0.00 O ATOM 0 H GLU A 82 17.624 -2.111 -3.567 1.00 0.00 H new ATOM 0 HA GLU A 82 18.776 0.298 -4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 82 19.620 -2.253 -5.453 1.00 0.00 H new ATOM 0 HB3 GLU A 82 20.658 -0.944 -4.925 1.00 0.00 H new ATOM 0 HG2 GLU A 82 19.249 -1.723 -2.585 1.00 0.00 H new ATOM 0 HG3 GLU A 82 19.644 -3.232 -3.383 1.00 0.00 H new ATOM 1321 N SER A 83 17.744 -0.949 -6.893 1.00 0.00 N ATOM 1322 CA SER A 83 17.437 -0.542 -8.247 1.00 0.00 C ATOM 1323 C SER A 83 15.920 -0.502 -8.460 1.00 0.00 C ATOM 1324 O SER A 83 15.453 -0.070 -9.495 1.00 0.00 O ATOM 1325 CB SER A 83 18.052 -1.536 -9.229 1.00 0.00 C ATOM 1326 OG SER A 83 19.135 -0.915 -9.909 1.00 0.00 O ATOM 0 H SER A 83 17.550 -1.927 -6.676 1.00 0.00 H new ATOM 0 HA SER A 83 17.849 0.453 -8.416 1.00 0.00 H new ATOM 0 HB2 SER A 83 18.401 -2.421 -8.698 1.00 0.00 H new ATOM 0 HB3 SER A 83 17.301 -1.869 -9.945 1.00 0.00 H new ATOM 0 HG SER A 83 19.533 -1.551 -10.539 1.00 0.00 H new ATOM 1332 N THR A 84 15.136 -0.939 -7.507 1.00 0.00 N ATOM 1333 CA THR A 84 13.702 -0.901 -7.705 1.00 0.00 C ATOM 1334 C THR A 84 13.114 0.156 -6.755 1.00 0.00 C ATOM 1335 O THR A 84 11.940 0.170 -6.452 1.00 0.00 O ATOM 1336 CB THR A 84 13.139 -2.321 -7.455 1.00 0.00 C ATOM 1337 OG1 THR A 84 12.902 -2.946 -8.708 1.00 0.00 O ATOM 1338 CG2 THR A 84 11.827 -2.294 -6.662 1.00 0.00 C ATOM 0 H THR A 84 15.449 -1.315 -6.612 1.00 0.00 H new ATOM 0 HA THR A 84 13.431 -0.616 -8.722 1.00 0.00 H new ATOM 0 HB THR A 84 13.873 -2.873 -6.868 1.00 0.00 H new ATOM 0 HG1 THR A 84 12.376 -2.347 -9.278 1.00 0.00 H new ATOM 0 HG21 THR A 84 11.472 -3.313 -6.512 1.00 0.00 H new ATOM 0 HG22 THR A 84 11.997 -1.823 -5.694 1.00 0.00 H new ATOM 0 HG23 THR A 84 11.079 -1.727 -7.216 1.00 0.00 H new ATOM 1346 N ALA A 85 13.910 1.117 -6.371 1.00 0.00 N ATOM 1347 CA ALA A 85 13.388 2.206 -5.562 1.00 0.00 C ATOM 1348 C ALA A 85 12.973 3.353 -6.483 1.00 0.00 C ATOM 1349 O ALA A 85 13.527 4.432 -6.415 1.00 0.00 O ATOM 1350 CB ALA A 85 14.446 2.703 -4.575 1.00 0.00 C ATOM 0 H ALA A 85 14.903 1.177 -6.595 1.00 0.00 H new ATOM 0 HA ALA A 85 12.529 1.846 -4.995 1.00 0.00 H new ATOM 0 HB1 ALA A 85 14.034 3.518 -3.980 1.00 0.00 H new ATOM 0 HB2 ALA A 85 14.742 1.886 -3.917 1.00 0.00 H new ATOM 0 HB3 ALA A 85 15.317 3.059 -5.124 1.00 0.00 H new ATOM 1356 N VAL A 86 12.048 3.144 -7.360 1.00 0.00 N ATOM 1357 CA VAL A 86 11.683 4.226 -8.264 1.00 0.00 C ATOM 1358 C VAL A 86 10.224 4.120 -8.722 1.00 0.00 C ATOM 1359 O VAL A 86 9.373 3.580 -8.042 1.00 0.00 O ATOM 1360 CB VAL A 86 12.604 4.200 -9.492 1.00 0.00 C ATOM 1361 CG1 VAL A 86 12.878 5.634 -9.952 1.00 0.00 C ATOM 1362 CG2 VAL A 86 13.935 3.526 -9.139 1.00 0.00 C ATOM 0 H VAL A 86 11.536 2.271 -7.483 1.00 0.00 H new ATOM 0 HA VAL A 86 11.798 5.165 -7.723 1.00 0.00 H new ATOM 0 HB VAL A 86 12.116 3.639 -10.289 1.00 0.00 H new ATOM 0 HG11 VAL A 86 13.532 5.618 -10.824 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.937 6.118 -10.213 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.360 6.188 -9.147 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.580 3.513 -10.017 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.423 4.082 -8.338 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.749 2.504 -8.810 1.00 0.00 H new ATOM 1372 N LYS A 87 9.947 4.659 -9.884 1.00 0.00 N ATOM 1373 CA LYS A 87 8.604 4.648 -10.434 1.00 0.00 C ATOM 1374 C LYS A 87 7.887 3.332 -10.129 1.00 0.00 C ATOM 1375 O LYS A 87 6.683 3.304 -9.985 1.00 0.00 O ATOM 1376 CB LYS A 87 8.685 4.835 -11.950 1.00 0.00 C ATOM 1377 CG LYS A 87 7.298 5.166 -12.503 1.00 0.00 C ATOM 1378 CD LYS A 87 6.926 4.152 -13.586 1.00 0.00 C ATOM 1379 CE LYS A 87 7.971 4.189 -14.703 1.00 0.00 C ATOM 1380 NZ LYS A 87 8.528 2.823 -14.908 1.00 0.00 N ATOM 0 H LYS A 87 10.639 5.117 -10.477 1.00 0.00 H new ATOM 0 HA LYS A 87 8.038 5.459 -9.976 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.384 5.636 -12.191 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.067 3.928 -12.418 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.560 5.145 -11.701 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.291 6.175 -12.916 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.871 3.151 -13.158 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.939 4.381 -13.989 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.519 4.551 -15.626 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.770 4.884 -14.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.308 2.866 -15.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.883 2.453 -14.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.782 2.195 -15.270 1.00 0.00 H new ATOM 1394 N GLU A 88 8.590 2.240 -10.044 1.00 0.00 N ATOM 1395 CA GLU A 88 7.914 0.984 -9.770 1.00 0.00 C ATOM 1396 C GLU A 88 6.949 1.174 -8.589 1.00 0.00 C ATOM 1397 O GLU A 88 5.738 1.280 -8.738 1.00 0.00 O ATOM 1398 CB GLU A 88 8.969 -0.073 -9.392 1.00 0.00 C ATOM 1399 CG GLU A 88 10.165 0.580 -8.688 1.00 0.00 C ATOM 1400 CD GLU A 88 11.399 0.490 -9.590 1.00 0.00 C ATOM 1401 OE1 GLU A 88 11.575 -0.541 -10.218 1.00 0.00 O ATOM 1402 OE2 GLU A 88 12.145 1.454 -9.637 1.00 0.00 O ATOM 0 H GLU A 88 9.602 2.181 -10.155 1.00 0.00 H new ATOM 0 HA GLU A 88 7.357 0.662 -10.650 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.522 -0.823 -8.739 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.308 -0.592 -10.288 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.942 1.623 -8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.358 0.081 -7.738 1.00 0.00 H new ATOM 1409 N ARG A 89 7.484 1.241 -7.417 1.00 0.00 N ATOM 1410 CA ARG A 89 6.652 1.434 -6.258 1.00 0.00 C ATOM 1411 C ARG A 89 6.069 2.839 -6.364 1.00 0.00 C ATOM 1412 O ARG A 89 4.928 3.087 -6.028 1.00 0.00 O ATOM 1413 CB ARG A 89 7.463 1.279 -4.974 1.00 0.00 C ATOM 1414 CG ARG A 89 8.703 0.383 -5.200 1.00 0.00 C ATOM 1415 CD ARG A 89 8.285 -1.088 -5.194 1.00 0.00 C ATOM 1416 NE ARG A 89 8.935 -1.782 -6.288 1.00 0.00 N ATOM 1417 CZ ARG A 89 9.004 -3.088 -6.296 1.00 0.00 C ATOM 1418 NH1 ARG A 89 8.566 -3.779 -5.279 1.00 0.00 N ATOM 1419 NH2 ARG A 89 9.536 -3.704 -7.317 1.00 0.00 N ATOM 0 H ARG A 89 8.483 1.167 -7.227 1.00 0.00 H new ATOM 0 HA ARG A 89 5.860 0.686 -6.222 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.780 2.260 -4.620 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.836 0.846 -4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.176 0.633 -6.150 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.442 0.564 -4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.556 -1.550 -4.245 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.202 -1.169 -5.290 1.00 0.00 H new ATOM 0 HE ARG A 89 9.341 -1.248 -7.057 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.167 -3.301 -4.471 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.623 -4.797 -5.292 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.896 -3.167 -8.106 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.591 -4.722 -7.326 1.00 0.00 H new ATOM 1433 N ASP A 90 6.848 3.751 -6.882 1.00 0.00 N ATOM 1434 CA ASP A 90 6.361 5.103 -7.071 1.00 0.00 C ATOM 1435 C ASP A 90 5.068 5.036 -7.899 1.00 0.00 C ATOM 1436 O ASP A 90 4.288 5.968 -7.931 1.00 0.00 O ATOM 1437 CB ASP A 90 7.402 5.943 -7.814 1.00 0.00 C ATOM 1438 CG ASP A 90 7.839 7.113 -6.931 1.00 0.00 C ATOM 1439 OD1 ASP A 90 7.001 7.947 -6.629 1.00 0.00 O ATOM 1440 OD2 ASP A 90 9.004 7.155 -6.571 1.00 0.00 O ATOM 0 H ASP A 90 7.811 3.592 -7.179 1.00 0.00 H new ATOM 0 HA ASP A 90 6.171 5.566 -6.103 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.264 5.328 -8.073 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.984 6.316 -8.749 1.00 0.00 H new ATOM 1445 N ALA A 91 4.792 3.899 -8.496 1.00 0.00 N ATOM 1446 CA ALA A 91 3.558 3.731 -9.221 1.00 0.00 C ATOM 1447 C ALA A 91 2.592 3.049 -8.257 1.00 0.00 C ATOM 1448 O ALA A 91 1.413 3.334 -8.224 1.00 0.00 O ATOM 1449 CB ALA A 91 3.785 2.850 -10.450 1.00 0.00 C ATOM 0 H ALA A 91 5.403 3.082 -8.493 1.00 0.00 H new ATOM 0 HA ALA A 91 3.166 4.686 -9.570 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.846 2.730 -10.990 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.522 3.319 -11.103 1.00 0.00 H new ATOM 0 HB3 ALA A 91 4.150 1.872 -10.135 1.00 0.00 H new ATOM 1455 N VAL A 92 3.122 2.219 -7.390 1.00 0.00 N ATOM 1456 CA VAL A 92 2.268 1.615 -6.378 1.00 0.00 C ATOM 1457 C VAL A 92 1.677 2.780 -5.608 1.00 0.00 C ATOM 1458 O VAL A 92 0.479 2.930 -5.479 1.00 0.00 O ATOM 1459 CB VAL A 92 3.086 0.752 -5.400 1.00 0.00 C ATOM 1460 CG1 VAL A 92 2.397 0.707 -4.032 1.00 0.00 C ATOM 1461 CG2 VAL A 92 3.199 -0.673 -5.908 1.00 0.00 C ATOM 0 H VAL A 92 4.105 1.949 -7.357 1.00 0.00 H new ATOM 0 HA VAL A 92 1.517 0.973 -6.839 1.00 0.00 H new ATOM 0 HB VAL A 92 4.077 1.198 -5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.985 0.094 -3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.314 1.718 -3.633 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.401 0.277 -4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.781 -1.266 -5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.203 -1.103 -6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.695 -0.675 -6.879 1.00 0.00 H new ATOM 1471 N LYS A 93 2.537 3.642 -5.149 1.00 0.00 N ATOM 1472 CA LYS A 93 2.085 4.820 -4.457 1.00 0.00 C ATOM 1473 C LYS A 93 1.146 5.540 -5.426 1.00 0.00 C ATOM 1474 O LYS A 93 0.019 5.867 -5.083 1.00 0.00 O ATOM 1475 CB LYS A 93 3.325 5.665 -4.101 1.00 0.00 C ATOM 1476 CG LYS A 93 3.055 7.170 -4.243 1.00 0.00 C ATOM 1477 CD LYS A 93 4.394 7.907 -4.356 1.00 0.00 C ATOM 1478 CE LYS A 93 4.170 9.409 -4.167 1.00 0.00 C ATOM 1479 NZ LYS A 93 3.118 9.877 -5.113 1.00 0.00 N ATOM 0 H LYS A 93 3.549 3.555 -5.239 1.00 0.00 H new ATOM 0 HA LYS A 93 1.555 4.610 -3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.631 5.446 -3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.155 5.383 -4.749 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.444 7.362 -5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.495 7.535 -3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.090 7.535 -3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.845 7.716 -5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.869 9.616 -3.140 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.099 9.951 -4.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.118 10.916 -5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.313 9.501 -6.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.188 9.540 -4.792 1.00 0.00 H new ATOM 1493 N ASP A 94 1.610 5.742 -6.653 1.00 0.00 N ATOM 1494 CA ASP A 94 0.797 6.386 -7.677 1.00 0.00 C ATOM 1495 C ASP A 94 -0.597 5.753 -7.704 1.00 0.00 C ATOM 1496 O ASP A 94 -1.555 6.360 -8.139 1.00 0.00 O ATOM 1497 CB ASP A 94 1.455 6.211 -9.047 1.00 0.00 C ATOM 1498 CG ASP A 94 0.871 7.230 -10.026 1.00 0.00 C ATOM 1499 OD1 ASP A 94 1.073 8.413 -9.808 1.00 0.00 O ATOM 1500 OD2 ASP A 94 0.232 6.811 -10.977 1.00 0.00 O ATOM 0 H ASP A 94 2.543 5.470 -6.963 1.00 0.00 H new ATOM 0 HA ASP A 94 0.712 7.448 -7.446 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.533 6.346 -8.964 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.288 5.199 -9.416 1.00 0.00 H new ATOM 1505 N LEU A 95 -0.724 4.552 -7.217 1.00 0.00 N ATOM 1506 CA LEU A 95 -2.026 3.918 -7.188 1.00 0.00 C ATOM 1507 C LEU A 95 -2.709 4.295 -5.871 1.00 0.00 C ATOM 1508 O LEU A 95 -3.846 4.722 -5.834 1.00 0.00 O ATOM 1509 CB LEU A 95 -1.845 2.402 -7.267 1.00 0.00 C ATOM 1510 CG LEU A 95 -1.885 1.977 -8.729 1.00 0.00 C ATOM 1511 CD1 LEU A 95 -0.565 2.318 -9.414 1.00 0.00 C ATOM 1512 CD2 LEU A 95 -2.132 0.472 -8.824 1.00 0.00 C ATOM 0 H LEU A 95 0.040 3.993 -6.838 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.636 4.246 -8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.896 2.111 -6.816 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.632 1.898 -6.706 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.694 2.512 -9.227 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.607 2.009 -10.458 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.394 3.393 -9.360 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.250 1.796 -8.913 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.160 0.173 -9.872 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.329 -0.061 -8.316 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.084 0.229 -8.352 1.00 0.00 H new ATOM 1524 N LEU A 96 -1.998 4.126 -4.797 1.00 0.00 N ATOM 1525 CA LEU A 96 -2.509 4.444 -3.475 1.00 0.00 C ATOM 1526 C LEU A 96 -3.384 5.701 -3.502 1.00 0.00 C ATOM 1527 O LEU A 96 -4.581 5.655 -3.295 1.00 0.00 O ATOM 1528 CB LEU A 96 -1.304 4.722 -2.591 1.00 0.00 C ATOM 1529 CG LEU A 96 -0.404 3.485 -2.548 1.00 0.00 C ATOM 1530 CD1 LEU A 96 0.621 3.636 -1.435 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.254 2.237 -2.294 1.00 0.00 C ATOM 0 H LEU A 96 -1.044 3.764 -4.801 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.115 3.615 -3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.747 5.576 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.631 4.982 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 96 0.111 3.383 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.260 2.754 -1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.231 4.520 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.107 3.742 -0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.610 1.358 -2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.774 2.339 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.984 2.125 -3.096 1.00 0.00 H new ATOM 1543 N GLN A 97 -2.779 6.825 -3.744 1.00 0.00 N ATOM 1544 CA GLN A 97 -3.540 8.081 -3.778 1.00 0.00 C ATOM 1545 C GLN A 97 -4.569 8.045 -4.919 1.00 0.00 C ATOM 1546 O GLN A 97 -5.335 8.971 -5.097 1.00 0.00 O ATOM 1547 CB GLN A 97 -2.629 9.305 -3.977 1.00 0.00 C ATOM 1548 CG GLN A 97 -1.242 9.043 -3.406 1.00 0.00 C ATOM 1549 CD GLN A 97 -0.388 8.462 -4.516 1.00 0.00 C ATOM 1550 OE1 GLN A 97 0.820 8.592 -4.518 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -0.988 7.817 -5.473 1.00 0.00 N ATOM 0 H GLN A 97 -1.779 6.920 -3.921 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.040 8.175 -2.814 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.552 9.538 -5.039 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.069 10.175 -3.490 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.803 9.967 -3.029 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.299 8.351 -2.565 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -2.003 7.714 -5.461 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.444 7.414 -6.236 1.00 0.00 H new ATOM 1560 N GLN A 98 -4.619 6.979 -5.674 1.00 0.00 N ATOM 1561 CA GLN A 98 -5.593 6.891 -6.737 1.00 0.00 C ATOM 1562 C GLN A 98 -6.852 6.216 -6.186 1.00 0.00 C ATOM 1563 O GLN A 98 -7.962 6.601 -6.497 1.00 0.00 O ATOM 1564 CB GLN A 98 -5.030 6.067 -7.894 1.00 0.00 C ATOM 1565 CG GLN A 98 -5.482 6.686 -9.216 1.00 0.00 C ATOM 1566 CD GLN A 98 -6.108 5.604 -10.099 1.00 0.00 C ATOM 1567 OE1 GLN A 98 -7.195 5.135 -9.827 1.00 0.00 O ATOM 1568 NE2 GLN A 98 -5.463 5.187 -11.153 1.00 0.00 N ATOM 0 H GLN A 98 -4.007 6.168 -5.578 1.00 0.00 H new ATOM 0 HA GLN A 98 -5.832 7.889 -7.105 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -3.941 6.042 -7.843 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.376 5.036 -7.824 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.204 7.481 -9.029 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.633 7.140 -9.726 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -4.550 5.581 -11.381 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -5.871 4.467 -11.749 1.00 0.00 H new ATOM 1577 N LEU A 99 -6.687 5.222 -5.349 1.00 0.00 N ATOM 1578 CA LEU A 99 -7.851 4.560 -4.776 1.00 0.00 C ATOM 1579 C LEU A 99 -8.302 5.351 -3.549 1.00 0.00 C ATOM 1580 O LEU A 99 -9.450 5.324 -3.167 1.00 0.00 O ATOM 1581 CB LEU A 99 -7.519 3.125 -4.327 1.00 0.00 C ATOM 1582 CG LEU A 99 -6.194 2.660 -4.912 1.00 0.00 C ATOM 1583 CD1 LEU A 99 -5.117 2.891 -3.872 1.00 0.00 C ATOM 1584 CD2 LEU A 99 -6.267 1.168 -5.235 1.00 0.00 C ATOM 0 H LEU A 99 -5.784 4.854 -5.049 1.00 0.00 H new ATOM 0 HA LEU A 99 -8.631 4.516 -5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.474 3.082 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.315 2.449 -4.640 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.973 3.211 -5.826 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.154 2.565 -4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.069 3.952 -3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.352 2.322 -2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.316 0.839 -5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.475 0.608 -4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.063 0.991 -5.959 1.00 0.00 H new ATOM 1596 N LEU A 100 -7.386 6.017 -2.903 1.00 0.00 N ATOM 1597 CA LEU A 100 -7.723 6.760 -1.707 1.00 0.00 C ATOM 1598 C LEU A 100 -8.980 7.586 -1.983 1.00 0.00 C ATOM 1599 O LEU A 100 -9.819 7.761 -1.121 1.00 0.00 O ATOM 1600 CB LEU A 100 -6.554 7.678 -1.327 1.00 0.00 C ATOM 1601 CG LEU A 100 -5.559 6.910 -0.455 1.00 0.00 C ATOM 1602 CD1 LEU A 100 -4.434 7.849 -0.015 1.00 0.00 C ATOM 1603 CD2 LEU A 100 -6.274 6.363 0.780 1.00 0.00 C ATOM 0 H LEU A 100 -6.405 6.065 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.912 6.077 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.058 8.043 -2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.924 8.552 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.141 6.083 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.725 7.302 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.921 8.239 -0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.854 8.677 0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.563 5.816 1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.694 7.190 1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.075 5.692 0.469 1.00 0.00 H new ATOM 1615 N PRO A 101 -9.068 8.044 -3.200 1.00 0.00 N ATOM 1616 CA PRO A 101 -10.247 8.837 -3.617 1.00 0.00 C ATOM 1617 C PRO A 101 -11.482 7.943 -3.813 1.00 0.00 C ATOM 1618 O PRO A 101 -12.543 8.403 -4.182 1.00 0.00 O ATOM 1619 CB PRO A 101 -9.820 9.441 -4.952 1.00 0.00 C ATOM 1620 CG PRO A 101 -8.287 9.426 -4.995 1.00 0.00 C ATOM 1621 CD PRO A 101 -7.831 8.445 -3.920 1.00 0.00 C ATOM 0 HA PRO A 101 -10.528 9.582 -2.873 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.233 8.867 -5.782 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.196 10.459 -5.050 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.930 9.118 -5.978 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.884 10.421 -4.807 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.336 7.580 -4.362 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.115 8.910 -3.242 1.00 0.00 H new ATOM 1629 N LYS A 102 -11.334 6.668 -3.602 1.00 0.00 N ATOM 1630 CA LYS A 102 -12.437 5.741 -3.800 1.00 0.00 C ATOM 1631 C LYS A 102 -13.294 5.614 -2.538 1.00 0.00 C ATOM 1632 O LYS A 102 -14.505 5.544 -2.601 1.00 0.00 O ATOM 1633 CB LYS A 102 -11.847 4.368 -4.107 1.00 0.00 C ATOM 1634 CG LYS A 102 -12.963 3.336 -4.247 1.00 0.00 C ATOM 1635 CD LYS A 102 -12.815 2.608 -5.583 1.00 0.00 C ATOM 1636 CE LYS A 102 -14.125 1.898 -5.929 1.00 0.00 C ATOM 1637 NZ LYS A 102 -13.892 0.945 -7.050 1.00 0.00 N ATOM 0 H LYS A 102 -10.464 6.235 -3.292 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.063 6.111 -4.612 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.264 4.412 -5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.164 4.071 -3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.919 2.622 -3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.935 3.826 -4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.556 3.318 -6.369 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.002 1.885 -5.526 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -14.503 1.365 -5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.884 2.628 -6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.782 0.462 -7.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.550 1.466 -7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.181 0.241 -6.765 1.00 0.00 H new ATOM 1651 N PHE A 103 -12.670 5.543 -1.402 1.00 0.00 N ATOM 1652 CA PHE A 103 -13.419 5.375 -0.163 1.00 0.00 C ATOM 1653 C PHE A 103 -13.462 6.703 0.590 1.00 0.00 C ATOM 1654 O PHE A 103 -13.999 6.797 1.675 1.00 0.00 O ATOM 1655 CB PHE A 103 -12.748 4.299 0.719 1.00 0.00 C ATOM 1656 CG PHE A 103 -11.315 4.135 0.281 1.00 0.00 C ATOM 1657 CD1 PHE A 103 -11.034 3.430 -0.893 1.00 0.00 C ATOM 1658 CD2 PHE A 103 -10.281 4.730 1.011 1.00 0.00 C ATOM 1659 CE1 PHE A 103 -9.718 3.318 -1.341 1.00 0.00 C ATOM 1660 CE2 PHE A 103 -8.959 4.611 0.569 1.00 0.00 C ATOM 1661 CZ PHE A 103 -8.677 3.907 -0.610 1.00 0.00 C ATOM 0 H PHE A 103 -11.657 5.596 -1.292 1.00 0.00 H new ATOM 0 HA PHE A 103 -14.434 5.057 -0.399 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -12.791 4.591 1.768 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -13.281 3.352 0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -11.836 2.972 -1.453 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -10.503 5.280 1.914 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.501 2.778 -2.251 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -8.157 5.061 1.135 1.00 0.00 H new ATOM 0 HZ PHE A 103 -7.657 3.818 -0.955 1.00 0.00 H new ATOM 1671 N LYS A 104 -12.906 7.734 0.018 1.00 0.00 N ATOM 1672 CA LYS A 104 -12.920 9.023 0.682 1.00 0.00 C ATOM 1673 C LYS A 104 -12.676 10.131 -0.344 1.00 0.00 C ATOM 1674 O LYS A 104 -11.586 10.288 -0.857 1.00 0.00 O ATOM 1675 CB LYS A 104 -11.834 9.094 1.768 1.00 0.00 C ATOM 1676 CG LYS A 104 -10.795 7.971 1.605 1.00 0.00 C ATOM 1677 CD LYS A 104 -10.498 7.359 2.974 1.00 0.00 C ATOM 1678 CE LYS A 104 -11.712 6.555 3.449 1.00 0.00 C ATOM 1679 NZ LYS A 104 -12.627 7.437 4.230 1.00 0.00 N ATOM 0 H LYS A 104 -12.443 7.717 -0.891 1.00 0.00 H new ATOM 0 HA LYS A 104 -13.895 9.155 1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.335 10.062 1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -12.297 9.022 2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.172 7.206 0.925 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.880 8.367 1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -9.622 6.713 2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.265 8.145 3.693 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.240 6.135 2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.386 5.717 4.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.947 6.936 5.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -12.122 8.304 4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.451 7.687 3.646 1.00 0.00 H new ATOM 1693 N ARG A 105 -13.683 10.905 -0.641 1.00 0.00 N ATOM 1694 CA ARG A 105 -13.517 11.980 -1.599 1.00 0.00 C ATOM 1695 C ARG A 105 -14.065 13.275 -0.995 1.00 0.00 C ATOM 1696 O ARG A 105 -13.341 14.225 -0.775 1.00 0.00 O ATOM 1697 CB ARG A 105 -14.281 11.648 -2.882 1.00 0.00 C ATOM 1698 CG ARG A 105 -13.938 12.677 -3.961 1.00 0.00 C ATOM 1699 CD ARG A 105 -14.832 12.456 -5.183 1.00 0.00 C ATOM 1700 NE ARG A 105 -15.722 13.590 -5.341 1.00 0.00 N ATOM 1701 CZ ARG A 105 -16.358 13.774 -6.468 1.00 0.00 C ATOM 1702 NH1 ARG A 105 -16.200 12.937 -7.458 1.00 0.00 N ATOM 1703 NH2 ARG A 105 -17.155 14.799 -6.604 1.00 0.00 N ATOM 0 H ARG A 105 -14.618 10.820 -0.243 1.00 0.00 H new ATOM 0 HA ARG A 105 -12.460 12.102 -1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -14.021 10.646 -3.224 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -15.354 11.651 -2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -14.078 13.686 -3.573 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -12.889 12.587 -4.244 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -14.221 12.332 -6.077 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -15.410 11.540 -5.063 1.00 0.00 H new ATOM 0 HE ARG A 105 -15.852 14.246 -4.571 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -15.578 12.135 -7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -16.699 13.085 -8.335 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -17.280 15.454 -5.832 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -17.653 14.945 -7.482 1.00 0.00 H new ATOM 1717 N LYS A 106 -15.341 13.317 -0.722 1.00 0.00 N ATOM 1718 CA LYS A 106 -15.921 14.513 -0.143 1.00 0.00 C ATOM 1719 C LYS A 106 -15.848 14.422 1.383 1.00 0.00 C ATOM 1720 O LYS A 106 -15.393 13.440 1.934 1.00 0.00 O ATOM 1721 CB LYS A 106 -17.383 14.636 -0.579 1.00 0.00 C ATOM 1722 CG LYS A 106 -17.472 14.537 -2.103 1.00 0.00 C ATOM 1723 CD LYS A 106 -18.904 14.833 -2.552 1.00 0.00 C ATOM 1724 CE LYS A 106 -19.081 16.342 -2.732 1.00 0.00 C ATOM 1725 NZ LYS A 106 -20.434 16.744 -2.254 1.00 0.00 N ATOM 0 H LYS A 106 -15.996 12.553 -0.886 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.368 15.389 -0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -17.979 13.848 -0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -17.795 15.587 -0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -16.782 15.243 -2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -17.176 13.541 -2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -19.117 14.317 -3.488 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -19.613 14.459 -1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -18.313 16.878 -2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -18.960 16.611 -3.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -20.555 17.770 -2.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -21.160 16.242 -2.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -20.533 16.501 -1.248 1.00 0.00 H new ATOM 1739 N ALA A 107 -16.291 15.439 2.071 1.00 0.00 N ATOM 1740 CA ALA A 107 -16.246 15.406 3.521 1.00 0.00 C ATOM 1741 C ALA A 107 -17.234 16.431 4.085 1.00 0.00 C ATOM 1742 O ALA A 107 -17.882 17.152 3.353 1.00 0.00 O ATOM 1743 CB ALA A 107 -14.832 15.744 3.996 1.00 0.00 C ATOM 0 H ALA A 107 -16.682 16.290 1.667 1.00 0.00 H new ATOM 0 HA ALA A 107 -16.517 14.410 3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.798 15.719 5.085 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.129 15.014 3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -14.559 16.740 3.647 1.00 0.00 H new ATOM 1749 N ASN A 108 -17.352 16.500 5.383 1.00 0.00 N ATOM 1750 CA ASN A 108 -18.272 17.452 5.978 1.00 0.00 C ATOM 1751 C ASN A 108 -17.642 18.048 7.239 1.00 0.00 C ATOM 1752 O ASN A 108 -18.388 18.477 8.104 1.00 0.00 O ATOM 1753 CB ASN A 108 -19.576 16.742 6.344 1.00 0.00 C ATOM 1754 CG ASN A 108 -19.273 15.554 7.258 1.00 0.00 C ATOM 1755 OD1 ASN A 108 -18.171 15.419 7.752 1.00 0.00 O ATOM 1756 ND2 ASN A 108 -20.210 14.680 7.505 1.00 0.00 N ATOM 1757 OXT ASN A 108 -16.425 18.065 7.318 1.00 0.00 O ATOM 0 H ASN A 108 -16.836 15.922 6.046 1.00 0.00 H new ATOM 0 HA ASN A 108 -18.482 18.249 5.265 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -20.252 17.436 6.844 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -20.082 16.400 5.441 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -20.017 13.884 8.113 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -21.135 14.793 7.090 1.00 0.00 H new TER 1764 ASN A 108