USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 700 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 89 SER OG : rot 63:sc= 1.24 USER MOD Set 1.2: A 90 MET CE :methyl -109:sc= -0.927 (180deg=-5.03!) USER MOD Set 2.1: A 36 ASN : amide:sc= -2.72! C(o=-9.1!,f=-10!) USER MOD Set 2.2: A 86 THR OG1 : rot 146:sc= -6.4! USER MOD Set 3.1: A 45 CYS SG : rot -58:sc= 0.302 USER MOD Set 3.2: A 122 TYR OH : rot 41:sc= -1.15! USER MOD Single : A 39 LYS NZ :NH3+ -125:sc= 0.719 (180deg=-1.78!) USER MOD Single : A 42 HIS : no HD1:sc= -7.04! C(o=-7!,f=-4.9!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -13.5! C(o=-13!,f=-17!) USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= -0.0815 (180deg=-0.238) USER MOD Single : A 52 MET CE :methyl 160:sc= -0.0511 (180deg=-0.578) USER MOD Single : A 55 MET CE :methyl -145:sc= -0.031 (180deg=-0.546) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -72:sc= -0.459 USER MOD Single : A 62 MET CE :methyl 137:sc= -2.62 (180deg=-6.01!) USER MOD Single : A 65 ASN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 70 GLN : amide:sc= -3.72! C(o=-3.7!,f=-1.6!) USER MOD Single : A 71 TYR OH : rot -22:sc= -9.2! USER MOD Single : A 72 SER OG : rot 140:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -2.14! C(o=-2.1!,f=-4!) USER MOD Single : A 85 MET CE :methyl -127:sc=-0.000788 (180deg=-1.02) USER MOD Single : A 95 GLN : amide:sc= -2.04! K(o=-2!,f=-1.4) USER MOD Single : A 112 THR OG1 : rot 35:sc= 0.651 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 143:sc= -1.72! USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -14.7! C(o=-15!,f=-17!) USER MOD Single : A 126 MET CE :methyl -116:sc=-0.00431 (180deg=-0.182) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 36 1.606 -16.725 -13.128 1.00 0.00 N ATOM 2 CA ASN A 36 0.519 -17.211 -14.025 1.00 0.00 C ATOM 3 C ASN A 36 -0.406 -16.045 -14.372 1.00 0.00 C ATOM 4 O ASN A 36 -0.459 -15.592 -15.497 1.00 0.00 O ATOM 5 CB ASN A 36 -0.227 -18.269 -13.209 1.00 0.00 C ATOM 6 CG ASN A 36 -1.378 -18.839 -14.040 1.00 0.00 C ATOM 7 OD1 ASN A 36 -1.168 -19.344 -15.124 1.00 0.00 O ATOM 8 ND2 ASN A 36 -2.595 -18.780 -13.572 1.00 0.00 N ATOM 0 HA ASN A 36 0.894 -17.621 -14.962 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.456 -19.067 -12.919 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.612 -17.829 -12.289 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.370 -19.158 -14.117 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.771 -18.356 -12.661 1.00 0.00 H new ATOM 15 N ALA A 37 -1.120 -15.547 -13.403 1.00 0.00 N ATOM 16 CA ALA A 37 -2.027 -14.395 -13.657 1.00 0.00 C ATOM 17 C ALA A 37 -1.357 -13.108 -13.172 1.00 0.00 C ATOM 18 O ALA A 37 -0.454 -13.140 -12.361 1.00 0.00 O ATOM 19 CB ALA A 37 -3.285 -14.683 -12.837 1.00 0.00 C ATOM 0 H ALA A 37 -1.114 -15.890 -12.442 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.259 -14.270 -14.715 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.002 -13.874 -12.975 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.729 -15.622 -13.169 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.022 -14.759 -11.782 1.00 0.00 H new ATOM 25 N VAL A 38 -1.781 -11.981 -13.661 1.00 0.00 N ATOM 26 CA VAL A 38 -1.152 -10.707 -13.219 1.00 0.00 C ATOM 27 C VAL A 38 -2.205 -9.604 -13.116 1.00 0.00 C ATOM 28 O VAL A 38 -3.214 -9.634 -13.792 1.00 0.00 O ATOM 29 CB VAL A 38 -0.133 -10.379 -14.312 1.00 0.00 C ATOM 30 CG1 VAL A 38 -0.805 -10.466 -15.684 1.00 0.00 C ATOM 31 CG2 VAL A 38 0.409 -8.963 -14.102 1.00 0.00 C ATOM 0 H VAL A 38 -2.532 -11.885 -14.344 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.688 -10.790 -12.236 1.00 0.00 H new ATOM 0 HB VAL A 38 0.688 -11.094 -14.263 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.077 -10.232 -16.461 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.189 -11.475 -15.838 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.628 -9.753 -15.732 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.135 -8.732 -14.882 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.413 -8.248 -14.148 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.892 -8.899 -13.127 1.00 0.00 H new ATOM 41 N LYS A 39 -1.967 -8.616 -12.299 1.00 0.00 N ATOM 42 CA LYS A 39 -2.944 -7.497 -12.183 1.00 0.00 C ATOM 43 C LYS A 39 -2.458 -6.337 -13.046 1.00 0.00 C ATOM 44 O LYS A 39 -1.331 -5.895 -12.928 1.00 0.00 O ATOM 45 CB LYS A 39 -2.962 -7.115 -10.705 1.00 0.00 C ATOM 46 CG LYS A 39 -4.193 -6.257 -10.418 1.00 0.00 C ATOM 47 CD LYS A 39 -4.149 -5.774 -8.969 1.00 0.00 C ATOM 48 CE LYS A 39 -3.101 -4.668 -8.833 1.00 0.00 C ATOM 49 NZ LYS A 39 -2.491 -4.879 -7.490 1.00 0.00 N ATOM 0 H LYS A 39 -1.140 -8.535 -11.708 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.945 -7.767 -12.520 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.978 -8.012 -10.086 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.055 -6.567 -10.448 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.222 -5.404 -11.096 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.101 -6.834 -10.593 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.128 -5.401 -8.669 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.906 -6.604 -8.305 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.352 -4.735 -9.622 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.557 -3.681 -8.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.564 -4.003 -6.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.993 -5.645 -6.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.489 -5.137 -7.600 1.00 0.00 H new ATOM 63 N VAL A 40 -3.279 -5.860 -13.940 1.00 0.00 N ATOM 64 CA VAL A 40 -2.813 -4.757 -14.828 1.00 0.00 C ATOM 65 C VAL A 40 -3.687 -3.506 -14.729 1.00 0.00 C ATOM 66 O VAL A 40 -4.898 -3.559 -14.827 1.00 0.00 O ATOM 67 CB VAL A 40 -2.894 -5.329 -16.242 1.00 0.00 C ATOM 68 CG1 VAL A 40 -2.578 -4.228 -17.257 1.00 0.00 C ATOM 69 CG2 VAL A 40 -1.882 -6.466 -16.392 1.00 0.00 C ATOM 0 H VAL A 40 -4.236 -6.179 -14.094 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.810 -4.440 -14.544 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.899 -5.711 -16.421 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.636 -4.636 -18.266 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.299 -3.418 -17.151 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.573 -3.845 -17.077 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.940 -6.874 -17.401 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.877 -6.085 -16.212 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.107 -7.251 -15.670 1.00 0.00 H new ATOM 79 N ARG A 41 -3.056 -2.371 -14.590 1.00 0.00 N ATOM 80 CA ARG A 41 -3.796 -1.081 -14.546 1.00 0.00 C ATOM 81 C ARG A 41 -3.285 -0.232 -15.712 1.00 0.00 C ATOM 82 O ARG A 41 -2.093 -0.128 -15.922 1.00 0.00 O ATOM 83 CB ARG A 41 -3.447 -0.444 -13.200 1.00 0.00 C ATOM 84 CG ARG A 41 -3.936 -1.343 -12.060 1.00 0.00 C ATOM 85 CD ARG A 41 -3.689 -0.645 -10.721 1.00 0.00 C ATOM 86 NE ARG A 41 -4.651 -1.273 -9.775 1.00 0.00 N ATOM 87 CZ ARG A 41 -4.779 -0.803 -8.562 1.00 0.00 C ATOM 88 NH1 ARG A 41 -4.042 0.199 -8.165 1.00 0.00 N ATOM 89 NH2 ARG A 41 -5.646 -1.335 -7.748 1.00 0.00 N ATOM 0 H ARG A 41 -2.043 -2.284 -14.504 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.877 -1.187 -14.636 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.369 -0.298 -13.124 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.908 0.541 -13.123 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.998 -1.557 -12.181 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.413 -2.299 -12.086 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.661 -0.784 -10.388 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.857 0.429 -10.799 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.211 -2.071 -10.074 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.364 0.617 -8.802 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.144 0.564 -7.218 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.223 -2.117 -8.058 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.747 -0.970 -6.801 1.00 0.00 H new ATOM 103 N HIS A 42 -4.148 0.337 -16.507 1.00 0.00 N ATOM 104 CA HIS A 42 -3.627 1.109 -17.672 1.00 0.00 C ATOM 105 C HIS A 42 -4.461 2.357 -17.984 1.00 0.00 C ATOM 106 O HIS A 42 -5.550 2.547 -17.481 1.00 0.00 O ATOM 107 CB HIS A 42 -3.708 0.121 -18.841 1.00 0.00 C ATOM 108 CG HIS A 42 -5.124 0.060 -19.360 1.00 0.00 C ATOM 109 ND1 HIS A 42 -5.459 0.448 -20.649 1.00 0.00 N ATOM 110 CD2 HIS A 42 -6.302 -0.322 -18.766 1.00 0.00 C ATOM 111 CE1 HIS A 42 -6.789 0.293 -20.788 1.00 0.00 C ATOM 112 NE2 HIS A 42 -7.351 -0.175 -19.670 1.00 0.00 N ATOM 0 H HIS A 42 -5.163 0.305 -16.407 1.00 0.00 H new ATOM 0 HA HIS A 42 -2.621 1.479 -17.475 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.032 0.430 -19.638 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.387 -0.869 -18.516 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -6.400 -0.682 -17.752 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -7.335 0.519 -21.692 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -8.338 -0.381 -19.512 1.00 0.00 H new ATOM 120 N ILE A 43 -3.948 3.178 -18.863 1.00 0.00 N ATOM 121 CA ILE A 43 -4.673 4.404 -19.295 1.00 0.00 C ATOM 122 C ILE A 43 -4.803 4.358 -20.823 1.00 0.00 C ATOM 123 O ILE A 43 -3.821 4.396 -21.542 1.00 0.00 O ATOM 124 CB ILE A 43 -3.802 5.584 -18.817 1.00 0.00 C ATOM 125 CG1 ILE A 43 -4.700 6.758 -18.408 1.00 0.00 C ATOM 126 CG2 ILE A 43 -2.842 6.049 -19.919 1.00 0.00 C ATOM 127 CD1 ILE A 43 -3.944 7.634 -17.410 1.00 0.00 C ATOM 0 H ILE A 43 -3.039 3.045 -19.307 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.678 4.496 -18.884 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.215 5.244 -17.964 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.981 7.341 -19.285 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.623 6.389 -17.962 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.242 6.881 -19.551 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.186 5.226 -20.201 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.415 6.371 -20.789 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.573 8.473 -17.112 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.686 7.044 -16.531 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.033 8.011 -17.874 1.00 0.00 H new ATOM 139 N LEU A 44 -5.998 4.236 -21.328 1.00 0.00 N ATOM 140 CA LEU A 44 -6.167 4.155 -22.807 1.00 0.00 C ATOM 141 C LEU A 44 -6.770 5.450 -23.351 1.00 0.00 C ATOM 142 O LEU A 44 -7.867 5.837 -22.998 1.00 0.00 O ATOM 143 CB LEU A 44 -7.118 2.979 -23.035 1.00 0.00 C ATOM 144 CG LEU A 44 -7.135 2.619 -24.523 1.00 0.00 C ATOM 145 CD1 LEU A 44 -7.603 1.173 -24.705 1.00 0.00 C ATOM 146 CD2 LEU A 44 -8.096 3.552 -25.258 1.00 0.00 C ATOM 0 H LEU A 44 -6.861 4.189 -20.786 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.216 4.015 -23.320 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.799 2.120 -22.445 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.122 3.239 -22.701 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.129 2.727 -24.928 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.612 0.924 -25.766 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.923 0.502 -24.181 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.608 1.062 -24.297 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.110 3.298 -26.318 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.098 3.441 -24.845 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.766 4.584 -25.136 1.00 0.00 H new ATOM 158 N CYS A 45 -6.059 6.116 -24.217 1.00 0.00 N ATOM 159 CA CYS A 45 -6.582 7.383 -24.801 1.00 0.00 C ATOM 160 C CYS A 45 -6.201 7.461 -26.280 1.00 0.00 C ATOM 161 O CYS A 45 -5.190 6.931 -26.693 1.00 0.00 O ATOM 162 CB CYS A 45 -5.899 8.499 -24.007 1.00 0.00 C ATOM 163 SG CYS A 45 -6.466 10.111 -24.605 1.00 0.00 S ATOM 0 H CYS A 45 -5.135 5.837 -24.547 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.668 7.456 -24.743 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.125 8.394 -22.946 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.817 8.422 -24.111 1.00 0.00 H new ATOM 0 HG CYS A 45 -6.204 10.220 -25.874 1.00 0.00 H new ATOM 169 N GLU A 46 -6.992 8.118 -27.083 1.00 0.00 N ATOM 170 CA GLU A 46 -6.645 8.217 -28.528 1.00 0.00 C ATOM 171 C GLU A 46 -5.216 8.768 -28.660 1.00 0.00 C ATOM 172 O GLU A 46 -4.626 9.197 -27.692 1.00 0.00 O ATOM 173 CB GLU A 46 -7.695 9.160 -29.122 1.00 0.00 C ATOM 174 CG GLU A 46 -9.026 8.416 -29.267 1.00 0.00 C ATOM 175 CD GLU A 46 -10.154 9.423 -29.508 1.00 0.00 C ATOM 176 OE1 GLU A 46 -10.452 10.179 -28.597 1.00 0.00 O ATOM 177 OE2 GLU A 46 -10.703 9.419 -30.597 1.00 0.00 O ATOM 0 H GLU A 46 -7.855 8.586 -26.805 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.656 7.261 -29.051 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.821 10.032 -28.480 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.363 9.526 -30.094 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.971 7.711 -30.096 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.229 7.835 -28.367 1.00 0.00 H new ATOM 184 N LYS A 47 -4.630 8.716 -29.827 1.00 0.00 N ATOM 185 CA LYS A 47 -3.215 9.192 -29.964 1.00 0.00 C ATOM 186 C LYS A 47 -3.113 10.615 -30.522 1.00 0.00 C ATOM 187 O LYS A 47 -3.476 10.886 -31.649 1.00 0.00 O ATOM 188 CB LYS A 47 -2.581 8.202 -30.929 1.00 0.00 C ATOM 189 CG LYS A 47 -1.090 8.514 -31.080 1.00 0.00 C ATOM 190 CD LYS A 47 -0.740 8.651 -32.563 1.00 0.00 C ATOM 191 CE LYS A 47 -0.922 7.300 -33.258 1.00 0.00 C ATOM 192 NZ LYS A 47 -0.494 7.535 -34.665 1.00 0.00 N ATOM 0 H LYS A 47 -5.061 8.369 -30.684 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.722 9.234 -28.993 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.714 7.185 -30.562 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.074 8.258 -31.899 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.846 9.436 -30.552 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.495 7.721 -30.628 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.378 9.401 -33.030 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.289 8.994 -32.675 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.317 6.527 -32.784 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.959 6.967 -33.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.589 6.654 -35.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.092 8.271 -35.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.499 7.845 -34.679 1.00 0.00 H new ATOM 206 N HIS A 48 -2.612 11.523 -29.723 1.00 0.00 N ATOM 207 CA HIS A 48 -2.466 12.942 -30.175 1.00 0.00 C ATOM 208 C HIS A 48 -1.088 13.467 -29.781 1.00 0.00 C ATOM 209 O HIS A 48 -0.876 14.658 -29.665 1.00 0.00 O ATOM 210 CB HIS A 48 -3.547 13.724 -29.420 1.00 0.00 C ATOM 211 CG HIS A 48 -4.746 12.847 -29.231 1.00 0.00 C ATOM 212 ND1 HIS A 48 -5.315 12.623 -27.990 1.00 0.00 N ATOM 213 CD2 HIS A 48 -5.460 12.091 -30.117 1.00 0.00 C ATOM 214 CE1 HIS A 48 -6.326 11.756 -28.168 1.00 0.00 C ATOM 215 NE2 HIS A 48 -6.458 11.407 -29.447 1.00 0.00 N ATOM 0 H HIS A 48 -2.296 11.342 -28.770 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.569 13.039 -31.256 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -3.166 14.054 -28.453 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.821 14.620 -29.977 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -5.022 13.038 -27.106 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.273 12.036 -31.179 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -6.955 11.387 -27.371 1.00 0.00 H new ATOM 223 N GLY A 49 -0.159 12.585 -29.534 1.00 0.00 N ATOM 224 CA GLY A 49 1.191 13.034 -29.101 1.00 0.00 C ATOM 225 C GLY A 49 1.126 13.356 -27.605 1.00 0.00 C ATOM 226 O GLY A 49 2.021 13.951 -27.040 1.00 0.00 O ATOM 0 H GLY A 49 -0.277 11.575 -29.614 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.930 12.256 -29.292 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.500 13.913 -29.667 1.00 0.00 H new ATOM 230 N LYS A 50 0.052 12.966 -26.966 1.00 0.00 N ATOM 231 CA LYS A 50 -0.115 13.236 -25.510 1.00 0.00 C ATOM 232 C LYS A 50 0.648 12.198 -24.684 1.00 0.00 C ATOM 233 O LYS A 50 0.566 12.171 -23.473 1.00 0.00 O ATOM 234 CB LYS A 50 -1.621 13.097 -25.283 1.00 0.00 C ATOM 235 CG LYS A 50 -1.986 13.540 -23.867 1.00 0.00 C ATOM 236 CD LYS A 50 -3.496 13.378 -23.662 1.00 0.00 C ATOM 237 CE LYS A 50 -4.000 14.450 -22.694 1.00 0.00 C ATOM 238 NZ LYS A 50 -4.453 13.697 -21.491 1.00 0.00 N ATOM 0 H LYS A 50 -0.724 12.466 -27.399 1.00 0.00 H new ATOM 0 HA LYS A 50 0.269 14.212 -25.213 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.163 13.700 -26.011 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.925 12.062 -25.437 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.441 12.944 -23.135 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.695 14.579 -23.712 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.014 13.463 -24.617 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.715 12.386 -23.268 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.210 15.158 -22.443 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.817 15.025 -23.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.065 14.305 -20.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.985 12.854 -21.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.626 13.405 -20.932 1.00 0.00 H new ATOM 252 N ILE A 51 1.385 11.338 -25.332 1.00 0.00 N ATOM 253 CA ILE A 51 2.145 10.295 -24.584 1.00 0.00 C ATOM 254 C ILE A 51 2.974 10.931 -23.461 1.00 0.00 C ATOM 255 O ILE A 51 3.014 10.435 -22.352 1.00 0.00 O ATOM 256 CB ILE A 51 3.066 9.648 -25.620 1.00 0.00 C ATOM 257 CG1 ILE A 51 2.227 8.995 -26.729 1.00 0.00 C ATOM 258 CG2 ILE A 51 3.932 8.589 -24.937 1.00 0.00 C ATOM 259 CD1 ILE A 51 1.627 7.677 -26.234 1.00 0.00 C ATOM 0 H ILE A 51 1.494 11.312 -26.346 1.00 0.00 H new ATOM 0 HA ILE A 51 1.480 9.569 -24.115 1.00 0.00 H new ATOM 0 HB ILE A 51 3.706 10.412 -26.062 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.430 9.672 -27.038 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.849 8.813 -27.606 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.589 8.126 -25.673 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.533 9.058 -24.158 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.292 7.827 -24.492 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.035 7.225 -27.030 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.429 6.997 -25.948 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.989 7.869 -25.371 1.00 0.00 H new ATOM 271 N MET A 52 3.646 12.015 -23.740 1.00 0.00 N ATOM 272 CA MET A 52 4.481 12.667 -22.687 1.00 0.00 C ATOM 273 C MET A 52 3.598 13.292 -21.601 1.00 0.00 C ATOM 274 O MET A 52 3.874 13.177 -20.424 1.00 0.00 O ATOM 275 CB MET A 52 5.275 13.751 -23.420 1.00 0.00 C ATOM 276 CG MET A 52 6.248 13.096 -24.403 1.00 0.00 C ATOM 277 SD MET A 52 7.002 14.371 -25.443 1.00 0.00 S ATOM 278 CE MET A 52 8.070 15.098 -24.174 1.00 0.00 C ATOM 0 H MET A 52 3.654 12.478 -24.649 1.00 0.00 H new ATOM 0 HA MET A 52 5.131 11.950 -22.185 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.596 14.416 -23.953 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.823 14.363 -22.703 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.020 12.551 -23.859 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.722 12.370 -25.023 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.874 15.657 -24.652 1.00 0.00 H new ATOM 0 HE2 MET A 52 7.484 15.770 -23.547 1.00 0.00 H new ATOM 0 HE3 MET A 52 8.495 14.305 -23.558 1.00 0.00 H new ATOM 288 N GLU A 53 2.541 13.955 -21.983 1.00 0.00 N ATOM 289 CA GLU A 53 1.651 14.587 -20.965 1.00 0.00 C ATOM 290 C GLU A 53 1.066 13.525 -20.030 1.00 0.00 C ATOM 291 O GLU A 53 1.226 13.587 -18.827 1.00 0.00 O ATOM 292 CB GLU A 53 0.535 15.255 -21.768 1.00 0.00 C ATOM 293 CG GLU A 53 1.069 16.528 -22.422 1.00 0.00 C ATOM 294 CD GLU A 53 1.726 17.412 -21.359 1.00 0.00 C ATOM 295 OE1 GLU A 53 1.182 17.501 -20.271 1.00 0.00 O ATOM 296 OE2 GLU A 53 2.763 17.984 -21.651 1.00 0.00 O ATOM 0 H GLU A 53 2.255 14.087 -22.953 1.00 0.00 H new ATOM 0 HA GLU A 53 2.191 15.299 -20.340 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.162 14.571 -22.530 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.305 15.494 -21.115 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.792 16.275 -23.197 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.256 17.068 -22.908 1.00 0.00 H new ATOM 303 N ALA A 54 0.384 12.557 -20.574 1.00 0.00 N ATOM 304 CA ALA A 54 -0.219 11.496 -19.719 1.00 0.00 C ATOM 305 C ALA A 54 0.851 10.833 -18.847 1.00 0.00 C ATOM 306 O ALA A 54 0.736 10.790 -17.638 1.00 0.00 O ATOM 307 CB ALA A 54 -0.810 10.486 -20.702 1.00 0.00 C ATOM 0 H ALA A 54 0.218 12.454 -21.575 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.971 11.897 -19.039 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.275 9.670 -20.149 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.560 10.978 -21.322 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.018 10.089 -21.337 1.00 0.00 H new ATOM 313 N MET A 55 1.889 10.312 -19.443 1.00 0.00 N ATOM 314 CA MET A 55 2.950 9.652 -18.631 1.00 0.00 C ATOM 315 C MET A 55 3.577 10.656 -17.659 1.00 0.00 C ATOM 316 O MET A 55 3.827 10.344 -16.512 1.00 0.00 O ATOM 317 CB MET A 55 3.977 9.133 -19.646 1.00 0.00 C ATOM 318 CG MET A 55 4.912 10.263 -20.082 1.00 0.00 C ATOM 319 SD MET A 55 6.221 9.578 -21.131 1.00 0.00 S ATOM 320 CE MET A 55 7.421 10.914 -20.913 1.00 0.00 C ATOM 0 H MET A 55 2.048 10.315 -20.451 1.00 0.00 H new ATOM 0 HA MET A 55 2.558 8.839 -18.020 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.557 8.322 -19.205 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.463 8.721 -20.515 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.353 11.024 -20.627 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.346 10.750 -19.209 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.975 11.060 -21.840 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.898 11.834 -20.654 1.00 0.00 H new ATOM 0 HE3 MET A 55 8.114 10.653 -20.113 1.00 0.00 H new ATOM 330 N GLU A 56 3.819 11.863 -18.094 1.00 0.00 N ATOM 331 CA GLU A 56 4.413 12.871 -17.169 1.00 0.00 C ATOM 332 C GLU A 56 3.567 12.945 -15.896 1.00 0.00 C ATOM 333 O GLU A 56 4.071 12.855 -14.795 1.00 0.00 O ATOM 334 CB GLU A 56 4.368 14.198 -17.927 1.00 0.00 C ATOM 335 CG GLU A 56 5.002 15.297 -17.072 1.00 0.00 C ATOM 336 CD GLU A 56 5.219 16.550 -17.923 1.00 0.00 C ATOM 337 OE1 GLU A 56 4.834 16.530 -19.081 1.00 0.00 O ATOM 338 OE2 GLU A 56 5.766 17.509 -17.402 1.00 0.00 O ATOM 0 H GLU A 56 3.633 12.193 -19.041 1.00 0.00 H new ATOM 0 HA GLU A 56 5.432 12.621 -16.874 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.901 14.106 -18.874 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.337 14.458 -18.166 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.358 15.529 -16.224 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.953 14.952 -16.666 1.00 0.00 H new ATOM 345 N LYS A 57 2.277 13.091 -16.046 1.00 0.00 N ATOM 346 CA LYS A 57 1.391 13.151 -14.849 1.00 0.00 C ATOM 347 C LYS A 57 1.251 11.750 -14.247 1.00 0.00 C ATOM 348 O LYS A 57 1.060 11.588 -13.059 1.00 0.00 O ATOM 349 CB LYS A 57 0.045 13.651 -15.373 1.00 0.00 C ATOM 350 CG LYS A 57 -0.854 14.023 -14.193 1.00 0.00 C ATOM 351 CD LYS A 57 -1.753 15.195 -14.589 1.00 0.00 C ATOM 352 CE LYS A 57 -0.914 16.471 -14.689 1.00 0.00 C ATOM 353 NZ LYS A 57 -1.890 17.585 -14.521 1.00 0.00 N ATOM 0 H LYS A 57 1.800 13.171 -16.944 1.00 0.00 H new ATOM 0 HA LYS A 57 1.783 13.803 -14.068 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.193 14.517 -16.019 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.431 12.880 -15.978 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.462 13.167 -13.901 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.246 14.292 -13.329 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.237 14.989 -15.544 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.545 15.325 -13.852 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.145 16.500 -13.917 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.404 16.534 -15.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.391 18.496 -14.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.606 17.536 -15.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.355 17.502 -13.595 1.00 0.00 H new ATOM 367 N LEU A 58 1.363 10.737 -15.062 1.00 0.00 N ATOM 368 CA LEU A 58 1.258 9.342 -14.547 1.00 0.00 C ATOM 369 C LEU A 58 2.324 9.120 -13.473 1.00 0.00 C ATOM 370 O LEU A 58 2.192 8.270 -12.618 1.00 0.00 O ATOM 371 CB LEU A 58 1.543 8.464 -15.772 1.00 0.00 C ATOM 372 CG LEU A 58 1.019 7.029 -15.577 1.00 0.00 C ATOM 373 CD1 LEU A 58 1.029 6.626 -14.104 1.00 0.00 C ATOM 374 CD2 LEU A 58 -0.406 6.927 -16.118 1.00 0.00 C ATOM 0 H LEU A 58 1.523 10.816 -16.066 1.00 0.00 H new ATOM 0 HA LEU A 58 0.290 9.120 -14.098 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.077 8.905 -16.653 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.616 8.437 -15.959 1.00 0.00 H new ATOM 0 HG LEU A 58 1.678 6.353 -16.121 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.653 5.608 -14.003 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.048 6.677 -13.720 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.393 7.306 -13.537 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.776 5.911 -15.980 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.050 7.624 -15.581 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.411 7.173 -17.180 1.00 0.00 H new ATOM 386 N LYS A 59 3.381 9.889 -13.535 1.00 0.00 N ATOM 387 CA LYS A 59 4.502 9.767 -12.550 1.00 0.00 C ATOM 388 C LYS A 59 4.051 9.107 -11.243 1.00 0.00 C ATOM 389 O LYS A 59 2.973 9.362 -10.744 1.00 0.00 O ATOM 390 CB LYS A 59 4.942 11.206 -12.289 1.00 0.00 C ATOM 391 CG LYS A 59 6.001 11.225 -11.186 1.00 0.00 C ATOM 392 CD LYS A 59 7.373 10.944 -11.798 1.00 0.00 C ATOM 393 CE LYS A 59 8.446 11.039 -10.712 1.00 0.00 C ATOM 394 NZ LYS A 59 9.382 9.916 -11.001 1.00 0.00 N ATOM 0 H LYS A 59 3.518 10.612 -14.241 1.00 0.00 H new ATOM 0 HA LYS A 59 5.303 9.138 -12.938 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.345 11.645 -13.202 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.085 11.812 -11.995 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.005 12.194 -10.686 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.768 10.476 -10.429 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.385 9.952 -12.250 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.581 11.659 -12.594 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.959 12.000 -10.746 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.011 10.945 -9.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.148 9.913 -10.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.867 9.014 -10.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.785 10.036 -11.952 1.00 0.00 H new ATOM 408 N SER A 60 4.878 8.270 -10.682 1.00 0.00 N ATOM 409 CA SER A 60 4.508 7.600 -9.405 1.00 0.00 C ATOM 410 C SER A 60 4.040 8.646 -8.393 1.00 0.00 C ATOM 411 O SER A 60 2.972 8.538 -7.821 1.00 0.00 O ATOM 412 CB SER A 60 5.787 6.916 -8.927 1.00 0.00 C ATOM 413 OG SER A 60 6.684 7.898 -8.423 1.00 0.00 O ATOM 0 H SER A 60 5.795 8.021 -11.053 1.00 0.00 H new ATOM 0 HA SER A 60 3.695 6.884 -9.527 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.555 6.186 -8.151 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.251 6.371 -9.749 1.00 0.00 H new ATOM 0 HG SER A 60 7.050 8.419 -9.168 1.00 0.00 H new ATOM 419 N GLY A 61 4.826 9.663 -8.174 1.00 0.00 N ATOM 420 CA GLY A 61 4.423 10.719 -7.207 1.00 0.00 C ATOM 421 C GLY A 61 2.959 11.093 -7.446 1.00 0.00 C ATOM 422 O GLY A 61 2.222 11.374 -6.523 1.00 0.00 O ATOM 0 H GLY A 61 5.730 9.808 -8.624 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.557 10.363 -6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.058 11.597 -7.324 1.00 0.00 H new ATOM 426 N MET A 62 2.533 11.097 -8.681 1.00 0.00 N ATOM 427 CA MET A 62 1.115 11.452 -8.978 1.00 0.00 C ATOM 428 C MET A 62 0.212 10.236 -8.783 1.00 0.00 C ATOM 429 O MET A 62 0.625 9.108 -8.964 1.00 0.00 O ATOM 430 CB MET A 62 1.108 11.898 -10.439 1.00 0.00 C ATOM 431 CG MET A 62 1.985 13.139 -10.597 1.00 0.00 C ATOM 432 SD MET A 62 1.219 14.530 -9.727 1.00 0.00 S ATOM 433 CE MET A 62 2.083 14.314 -8.151 1.00 0.00 C ATOM 0 H MET A 62 3.104 10.870 -9.495 1.00 0.00 H new ATOM 0 HA MET A 62 0.742 12.233 -8.316 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.477 11.095 -11.077 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.089 12.117 -10.759 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.980 12.948 -10.196 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.108 13.379 -11.653 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.404 15.286 -7.776 1.00 0.00 H new ATOM 0 HE2 MET A 62 1.412 13.850 -7.429 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.954 13.676 -8.298 1.00 0.00 H new ATOM 443 N ARG A 63 -1.017 10.457 -8.410 1.00 0.00 N ATOM 444 CA ARG A 63 -1.941 9.310 -8.201 1.00 0.00 C ATOM 445 C ARG A 63 -2.366 8.708 -9.546 1.00 0.00 C ATOM 446 O ARG A 63 -3.155 9.271 -10.284 1.00 0.00 O ATOM 447 CB ARG A 63 -3.140 9.885 -7.444 1.00 0.00 C ATOM 448 CG ARG A 63 -3.702 11.092 -8.190 1.00 0.00 C ATOM 449 CD ARG A 63 -3.882 12.258 -7.212 1.00 0.00 C ATOM 450 NE ARG A 63 -4.826 11.746 -6.179 1.00 0.00 N ATOM 451 CZ ARG A 63 -5.266 12.542 -5.241 1.00 0.00 C ATOM 452 NH1 ARG A 63 -5.725 13.723 -5.548 1.00 0.00 N ATOM 453 NH2 ARG A 63 -5.250 12.152 -3.995 1.00 0.00 N ATOM 0 H ARG A 63 -1.420 11.379 -8.241 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.470 8.502 -7.641 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.912 9.123 -7.337 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.839 10.177 -6.438 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.028 11.381 -8.997 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.657 10.837 -8.649 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.931 12.552 -6.768 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.285 13.137 -7.715 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.129 10.772 -6.204 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.741 14.027 -6.522 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.068 14.343 -4.815 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.894 11.227 -3.755 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.593 12.773 -3.262 1.00 0.00 H new ATOM 467 N PHE A 64 -1.836 7.559 -9.854 1.00 0.00 N ATOM 468 CA PHE A 64 -2.175 6.868 -11.133 1.00 0.00 C ATOM 469 C PHE A 64 -3.677 6.969 -11.415 1.00 0.00 C ATOM 470 O PHE A 64 -4.104 7.103 -12.548 1.00 0.00 O ATOM 471 CB PHE A 64 -1.768 5.416 -10.868 1.00 0.00 C ATOM 472 CG PHE A 64 -1.869 4.584 -12.126 1.00 0.00 C ATOM 473 CD1 PHE A 64 -3.120 4.291 -12.682 1.00 0.00 C ATOM 474 CD2 PHE A 64 -0.704 4.081 -12.720 1.00 0.00 C ATOM 475 CE1 PHE A 64 -3.206 3.494 -13.831 1.00 0.00 C ATOM 476 CE2 PHE A 64 -0.791 3.289 -13.871 1.00 0.00 C ATOM 477 CZ PHE A 64 -2.040 2.994 -14.426 1.00 0.00 C ATOM 0 H PHE A 64 -1.170 7.059 -9.265 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.675 7.298 -12.001 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.747 5.385 -10.489 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.408 4.991 -10.095 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.018 4.679 -12.225 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.261 4.304 -12.290 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.171 3.265 -14.258 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.108 2.905 -14.331 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.106 2.381 -15.313 1.00 0.00 H new ATOM 487 N ASN A 65 -4.480 6.898 -10.390 1.00 0.00 N ATOM 488 CA ASN A 65 -5.954 6.976 -10.586 1.00 0.00 C ATOM 489 C ASN A 65 -6.351 8.292 -11.265 1.00 0.00 C ATOM 490 O ASN A 65 -6.990 8.295 -12.297 1.00 0.00 O ATOM 491 CB ASN A 65 -6.546 6.903 -9.177 1.00 0.00 C ATOM 492 CG ASN A 65 -8.041 7.219 -9.237 1.00 0.00 C ATOM 493 OD1 ASN A 65 -8.849 6.345 -9.481 1.00 0.00 O ATOM 494 ND2 ASN A 65 -8.448 8.440 -9.024 1.00 0.00 N ATOM 0 H ASN A 65 -4.177 6.789 -9.422 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.317 6.175 -11.230 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -6.390 5.910 -8.756 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.040 7.611 -8.521 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.443 8.660 -9.062 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.771 9.175 -8.819 1.00 0.00 H new ATOM 501 N GLU A 66 -5.996 9.408 -10.688 1.00 0.00 N ATOM 502 CA GLU A 66 -6.379 10.711 -11.306 1.00 0.00 C ATOM 503 C GLU A 66 -5.882 10.799 -12.750 1.00 0.00 C ATOM 504 O GLU A 66 -6.582 11.278 -13.619 1.00 0.00 O ATOM 505 CB GLU A 66 -5.720 11.789 -10.445 1.00 0.00 C ATOM 506 CG GLU A 66 -6.129 13.168 -10.960 1.00 0.00 C ATOM 507 CD GLU A 66 -7.602 13.416 -10.633 1.00 0.00 C ATOM 508 OE1 GLU A 66 -7.902 13.635 -9.471 1.00 0.00 O ATOM 509 OE2 GLU A 66 -8.407 13.379 -11.549 1.00 0.00 O ATOM 0 H GLU A 66 -5.461 9.475 -9.822 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.462 10.829 -11.342 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.021 11.673 -9.404 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.636 11.683 -10.477 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.509 13.938 -10.502 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.969 13.229 -12.036 1.00 0.00 H new ATOM 516 N VAL A 67 -4.686 10.350 -13.027 1.00 0.00 N ATOM 517 CA VAL A 67 -4.194 10.434 -14.433 1.00 0.00 C ATOM 518 C VAL A 67 -5.215 9.799 -15.378 1.00 0.00 C ATOM 519 O VAL A 67 -5.732 10.439 -16.274 1.00 0.00 O ATOM 520 CB VAL A 67 -2.874 9.663 -14.471 1.00 0.00 C ATOM 521 CG1 VAL A 67 -2.389 9.574 -15.917 1.00 0.00 C ATOM 522 CG2 VAL A 67 -1.833 10.402 -13.634 1.00 0.00 C ATOM 0 H VAL A 67 -4.040 9.936 -12.355 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.052 11.467 -14.750 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.021 8.661 -14.069 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.448 9.025 -15.952 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.134 9.055 -16.519 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.238 10.578 -16.313 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.891 9.855 -13.659 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.683 11.402 -14.040 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.181 10.478 -12.604 1.00 0.00 H new ATOM 532 N ALA A 68 -5.518 8.547 -15.182 1.00 0.00 N ATOM 533 CA ALA A 68 -6.513 7.878 -16.066 1.00 0.00 C ATOM 534 C ALA A 68 -7.889 8.518 -15.883 1.00 0.00 C ATOM 535 O ALA A 68 -8.506 8.968 -16.833 1.00 0.00 O ATOM 536 CB ALA A 68 -6.528 6.420 -15.610 1.00 0.00 C ATOM 0 H ALA A 68 -5.121 7.958 -14.450 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.260 7.968 -17.122 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.239 5.857 -16.214 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.533 5.992 -15.728 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.823 6.370 -14.562 1.00 0.00 H new ATOM 542 N ALA A 69 -8.372 8.571 -14.671 1.00 0.00 N ATOM 543 CA ALA A 69 -9.704 9.191 -14.428 1.00 0.00 C ATOM 544 C ALA A 69 -9.840 10.468 -15.255 1.00 0.00 C ATOM 545 O ALA A 69 -10.928 10.873 -15.616 1.00 0.00 O ATOM 546 CB ALA A 69 -9.723 9.514 -12.935 1.00 0.00 C ATOM 0 H ALA A 69 -7.902 8.212 -13.840 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.528 8.536 -14.711 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.675 9.976 -12.675 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.597 8.595 -12.362 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.911 10.202 -12.701 1.00 0.00 H new ATOM 552 N GLN A 70 -8.743 11.108 -15.564 1.00 0.00 N ATOM 553 CA GLN A 70 -8.826 12.354 -16.373 1.00 0.00 C ATOM 554 C GLN A 70 -8.978 12.006 -17.856 1.00 0.00 C ATOM 555 O GLN A 70 -9.976 12.325 -18.470 1.00 0.00 O ATOM 556 CB GLN A 70 -7.519 13.104 -16.118 1.00 0.00 C ATOM 557 CG GLN A 70 -7.501 14.390 -16.949 1.00 0.00 C ATOM 558 CD GLN A 70 -8.730 15.244 -16.619 1.00 0.00 C ATOM 559 OE1 GLN A 70 -8.617 16.267 -15.972 1.00 0.00 O ATOM 560 NE2 GLN A 70 -9.910 14.868 -17.037 1.00 0.00 N ATOM 0 H GLN A 70 -7.802 10.823 -15.293 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.687 12.963 -16.099 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.424 13.341 -15.058 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.669 12.475 -16.382 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.591 14.953 -16.743 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.492 14.146 -18.011 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.009 14.010 -17.580 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.732 15.432 -16.820 1.00 0.00 H new ATOM 569 N TYR A 71 -8.011 11.353 -18.449 1.00 0.00 N ATOM 570 CA TYR A 71 -8.161 11.008 -19.890 1.00 0.00 C ATOM 571 C TYR A 71 -8.357 9.502 -20.078 1.00 0.00 C ATOM 572 O TYR A 71 -7.698 8.869 -20.878 1.00 0.00 O ATOM 573 CB TYR A 71 -6.899 11.513 -20.601 1.00 0.00 C ATOM 574 CG TYR A 71 -5.635 10.915 -20.033 1.00 0.00 C ATOM 575 CD1 TYR A 71 -4.978 11.549 -18.971 1.00 0.00 C ATOM 576 CD2 TYR A 71 -5.090 9.763 -20.604 1.00 0.00 C ATOM 577 CE1 TYR A 71 -3.777 11.027 -18.481 1.00 0.00 C ATOM 578 CE2 TYR A 71 -3.892 9.236 -20.110 1.00 0.00 C ATOM 579 CZ TYR A 71 -3.234 9.869 -19.050 1.00 0.00 C ATOM 580 OH TYR A 71 -2.045 9.357 -18.571 1.00 0.00 O ATOM 0 H TYR A 71 -7.143 11.050 -18.007 1.00 0.00 H new ATOM 0 HA TYR A 71 -9.047 11.480 -20.315 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.964 11.275 -21.663 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.851 12.599 -20.521 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.399 12.441 -18.531 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.594 9.279 -21.427 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.268 11.517 -17.664 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.475 8.341 -20.547 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.546 10.064 -18.112 1.00 0.00 H new ATOM 590 N SER A 72 -9.290 8.935 -19.358 1.00 0.00 N ATOM 591 CA SER A 72 -9.575 7.481 -19.498 1.00 0.00 C ATOM 592 C SER A 72 -10.641 7.277 -20.580 1.00 0.00 C ATOM 593 O SER A 72 -11.663 7.936 -20.581 1.00 0.00 O ATOM 594 CB SER A 72 -10.112 7.063 -18.129 1.00 0.00 C ATOM 595 OG SER A 72 -10.560 5.715 -18.186 1.00 0.00 O ATOM 0 H SER A 72 -9.869 9.423 -18.675 1.00 0.00 H new ATOM 0 HA SER A 72 -8.701 6.898 -19.788 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.333 7.167 -17.374 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.932 7.718 -17.833 1.00 0.00 H new ATOM 0 HG SER A 72 -10.304 5.250 -17.362 1.00 0.00 H new ATOM 601 N GLU A 73 -10.419 6.382 -21.506 1.00 0.00 N ATOM 602 CA GLU A 73 -11.434 6.162 -22.581 1.00 0.00 C ATOM 603 C GLU A 73 -12.244 4.894 -22.301 1.00 0.00 C ATOM 604 O GLU A 73 -13.164 4.561 -23.023 1.00 0.00 O ATOM 605 CB GLU A 73 -10.627 6.002 -23.868 1.00 0.00 C ATOM 606 CG GLU A 73 -9.924 7.320 -24.202 1.00 0.00 C ATOM 607 CD GLU A 73 -10.950 8.453 -24.238 1.00 0.00 C ATOM 608 OE1 GLU A 73 -12.117 8.162 -24.440 1.00 0.00 O ATOM 609 OE2 GLU A 73 -10.551 9.592 -24.061 1.00 0.00 O ATOM 0 H GLU A 73 -9.586 5.797 -21.566 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.145 6.986 -22.643 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.892 5.206 -23.751 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.284 5.711 -24.687 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.157 7.534 -23.458 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.420 7.241 -25.165 1.00 0.00 H new ATOM 616 N ASP A 74 -11.913 4.185 -21.260 1.00 0.00 N ATOM 617 CA ASP A 74 -12.669 2.943 -20.936 1.00 0.00 C ATOM 618 C ASP A 74 -13.602 3.195 -19.749 1.00 0.00 C ATOM 619 O ASP A 74 -13.941 2.297 -19.008 1.00 0.00 O ATOM 620 CB ASP A 74 -11.599 1.907 -20.582 1.00 0.00 C ATOM 621 CG ASP A 74 -10.825 1.524 -21.845 1.00 0.00 C ATOM 622 OD1 ASP A 74 -11.403 1.601 -22.916 1.00 0.00 O ATOM 623 OD2 ASP A 74 -9.665 1.162 -21.720 1.00 0.00 O ATOM 0 H ASP A 74 -11.152 4.411 -20.619 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.294 2.606 -21.763 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -10.918 2.312 -19.834 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.063 1.023 -20.145 1.00 0.00 H new ATOM 628 N LYS A 75 -14.016 4.419 -19.566 1.00 0.00 N ATOM 629 CA LYS A 75 -14.923 4.745 -18.427 1.00 0.00 C ATOM 630 C LYS A 75 -16.310 4.124 -18.637 1.00 0.00 C ATOM 631 O LYS A 75 -17.073 3.966 -17.705 1.00 0.00 O ATOM 632 CB LYS A 75 -15.025 6.269 -18.434 1.00 0.00 C ATOM 633 CG LYS A 75 -15.794 6.717 -19.677 1.00 0.00 C ATOM 634 CD LYS A 75 -17.103 7.384 -19.256 1.00 0.00 C ATOM 635 CE LYS A 75 -17.703 8.128 -20.453 1.00 0.00 C ATOM 636 NZ LYS A 75 -19.104 8.450 -20.056 1.00 0.00 N ATOM 0 H LYS A 75 -13.765 5.211 -20.158 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.544 4.354 -17.483 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.532 6.615 -17.534 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.029 6.712 -18.429 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.190 7.413 -20.260 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.000 5.860 -20.318 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.805 6.634 -18.891 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.923 8.078 -18.435 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.139 9.034 -20.675 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -17.681 7.510 -21.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.575 8.961 -20.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -19.620 7.569 -19.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.095 9.045 -19.203 1.00 0.00 H new ATOM 650 N ALA A 76 -16.648 3.782 -19.850 1.00 0.00 N ATOM 651 CA ALA A 76 -17.992 3.185 -20.105 1.00 0.00 C ATOM 652 C ALA A 76 -18.040 1.729 -19.629 1.00 0.00 C ATOM 653 O ALA A 76 -19.079 1.228 -19.248 1.00 0.00 O ATOM 654 CB ALA A 76 -18.175 3.253 -21.621 1.00 0.00 C ATOM 0 H ALA A 76 -16.055 3.889 -20.673 1.00 0.00 H new ATOM 0 HA ALA A 76 -18.779 3.716 -19.569 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -19.144 2.831 -21.890 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -18.129 4.292 -21.947 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -17.384 2.684 -22.109 1.00 0.00 H new ATOM 660 N ARG A 77 -16.931 1.045 -19.657 1.00 0.00 N ATOM 661 CA ARG A 77 -16.922 -0.380 -19.214 1.00 0.00 C ATOM 662 C ARG A 77 -15.991 -0.563 -18.014 1.00 0.00 C ATOM 663 O ARG A 77 -16.144 -1.475 -17.226 1.00 0.00 O ATOM 664 CB ARG A 77 -16.391 -1.157 -20.420 1.00 0.00 C ATOM 665 CG ARG A 77 -17.483 -1.271 -21.484 1.00 0.00 C ATOM 666 CD ARG A 77 -17.041 -2.268 -22.557 1.00 0.00 C ATOM 667 NE ARG A 77 -18.247 -2.492 -23.399 1.00 0.00 N ATOM 668 CZ ARG A 77 -18.132 -2.564 -24.697 1.00 0.00 C ATOM 669 NH1 ARG A 77 -17.709 -3.666 -25.253 1.00 0.00 N ATOM 670 NH2 ARG A 77 -18.436 -1.533 -25.436 1.00 0.00 N ATOM 0 H ARG A 77 -16.030 1.409 -19.967 1.00 0.00 H new ATOM 0 HA ARG A 77 -17.909 -0.720 -18.901 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.518 -0.652 -20.834 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.067 -2.151 -20.110 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -18.417 -1.599 -21.029 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -17.673 -0.296 -21.933 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -16.216 -1.871 -23.148 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -16.694 -3.200 -22.110 1.00 0.00 H new ATOM 0 HE ARG A 77 -19.163 -2.589 -22.962 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -17.469 -4.470 -24.673 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -17.619 -3.723 -26.267 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -18.763 -0.671 -24.999 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -18.346 -1.589 -26.451 1.00 0.00 H new ATOM 684 N GLN A 78 -15.017 0.295 -17.878 1.00 0.00 N ATOM 685 CA GLN A 78 -14.057 0.177 -16.743 1.00 0.00 C ATOM 686 C GLN A 78 -12.894 1.147 -16.970 1.00 0.00 C ATOM 687 O GLN A 78 -12.138 1.013 -17.911 1.00 0.00 O ATOM 688 CB GLN A 78 -13.596 -1.293 -16.783 1.00 0.00 C ATOM 689 CG GLN A 78 -12.177 -1.460 -16.212 1.00 0.00 C ATOM 690 CD GLN A 78 -11.395 -2.433 -17.095 1.00 0.00 C ATOM 691 OE1 GLN A 78 -10.980 -3.482 -16.645 1.00 0.00 O ATOM 692 NE2 GLN A 78 -11.180 -2.129 -18.346 1.00 0.00 N ATOM 0 H GLN A 78 -14.844 1.078 -18.508 1.00 0.00 H new ATOM 0 HA GLN A 78 -14.487 0.427 -15.773 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -14.292 -1.908 -16.213 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -13.619 -1.654 -17.811 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -11.671 -0.496 -16.175 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -12.225 -1.835 -15.190 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -11.529 -1.248 -18.724 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -10.663 -2.772 -18.946 1.00 0.00 H new ATOM 701 N GLY A 79 -12.750 2.126 -16.122 1.00 0.00 N ATOM 702 CA GLY A 79 -11.641 3.103 -16.301 1.00 0.00 C ATOM 703 C GLY A 79 -10.683 3.032 -15.110 1.00 0.00 C ATOM 704 O GLY A 79 -10.929 3.610 -14.070 1.00 0.00 O ATOM 0 H GLY A 79 -13.351 2.292 -15.314 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.103 2.889 -17.224 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.045 4.111 -16.394 1.00 0.00 H new ATOM 708 N GLY A 80 -9.586 2.335 -15.254 1.00 0.00 N ATOM 709 CA GLY A 80 -8.613 2.243 -14.128 1.00 0.00 C ATOM 710 C GLY A 80 -7.837 0.927 -14.208 1.00 0.00 C ATOM 711 O GLY A 80 -6.932 0.771 -15.005 1.00 0.00 O ATOM 0 H GLY A 80 -9.323 1.828 -16.099 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.921 3.085 -14.166 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.140 2.306 -13.176 1.00 0.00 H new ATOM 715 N ASP A 81 -8.178 -0.018 -13.374 1.00 0.00 N ATOM 716 CA ASP A 81 -7.455 -1.321 -13.384 1.00 0.00 C ATOM 717 C ASP A 81 -8.221 -2.359 -14.205 1.00 0.00 C ATOM 718 O ASP A 81 -9.397 -2.212 -14.474 1.00 0.00 O ATOM 719 CB ASP A 81 -7.388 -1.745 -11.916 1.00 0.00 C ATOM 720 CG ASP A 81 -6.962 -0.550 -11.061 1.00 0.00 C ATOM 721 OD1 ASP A 81 -6.136 0.219 -11.524 1.00 0.00 O ATOM 722 OD2 ASP A 81 -7.472 -0.424 -9.959 1.00 0.00 O ATOM 0 H ASP A 81 -8.927 0.057 -12.686 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.466 -1.235 -13.835 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.360 -2.113 -11.588 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.679 -2.564 -11.795 1.00 0.00 H new ATOM 727 N LEU A 82 -7.560 -3.414 -14.600 1.00 0.00 N ATOM 728 CA LEU A 82 -8.241 -4.472 -15.396 1.00 0.00 C ATOM 729 C LEU A 82 -8.583 -5.657 -14.492 1.00 0.00 C ATOM 730 O LEU A 82 -9.605 -6.297 -14.646 1.00 0.00 O ATOM 731 CB LEU A 82 -7.225 -4.881 -16.460 1.00 0.00 C ATOM 732 CG LEU A 82 -7.650 -4.317 -17.815 1.00 0.00 C ATOM 733 CD1 LEU A 82 -7.251 -2.842 -17.904 1.00 0.00 C ATOM 734 CD2 LEU A 82 -6.953 -5.101 -18.930 1.00 0.00 C ATOM 0 H LEU A 82 -6.574 -3.588 -14.404 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.174 -4.127 -15.841 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.235 -4.510 -16.194 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.155 -5.967 -16.512 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.731 -4.407 -17.924 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.555 -2.441 -18.871 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.744 -2.283 -17.108 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.170 -2.750 -17.796 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.254 -4.701 -19.899 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.873 -5.009 -18.819 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.236 -6.152 -18.867 1.00 0.00 H new ATOM 746 N GLY A 83 -7.734 -5.948 -13.547 1.00 0.00 N ATOM 747 CA GLY A 83 -8.003 -7.086 -12.627 1.00 0.00 C ATOM 748 C GLY A 83 -6.904 -8.140 -12.781 1.00 0.00 C ATOM 749 O GLY A 83 -5.836 -7.866 -13.302 1.00 0.00 O ATOM 0 H GLY A 83 -6.864 -5.445 -13.372 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.041 -6.733 -11.596 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.976 -7.525 -12.849 1.00 0.00 H new ATOM 753 N TRP A 84 -7.166 -9.341 -12.331 1.00 0.00 N ATOM 754 CA TRP A 84 -6.152 -10.429 -12.442 1.00 0.00 C ATOM 755 C TRP A 84 -6.454 -11.313 -13.656 1.00 0.00 C ATOM 756 O TRP A 84 -7.471 -11.975 -13.712 1.00 0.00 O ATOM 757 CB TRP A 84 -6.298 -11.238 -11.151 1.00 0.00 C ATOM 758 CG TRP A 84 -5.732 -10.466 -10.003 1.00 0.00 C ATOM 759 CD1 TRP A 84 -4.525 -10.690 -9.435 1.00 0.00 C ATOM 760 CD2 TRP A 84 -6.329 -9.355 -9.272 1.00 0.00 C ATOM 761 NE1 TRP A 84 -4.342 -9.787 -8.402 1.00 0.00 N ATOM 762 CE2 TRP A 84 -5.425 -8.942 -8.264 1.00 0.00 C ATOM 763 CE3 TRP A 84 -7.552 -8.671 -9.388 1.00 0.00 C ATOM 764 CZ2 TRP A 84 -5.727 -7.888 -7.400 1.00 0.00 C ATOM 765 CZ3 TRP A 84 -7.859 -7.611 -8.521 1.00 0.00 C ATOM 766 CH2 TRP A 84 -6.947 -7.219 -7.530 1.00 0.00 C ATOM 0 H TRP A 84 -8.044 -9.614 -11.889 1.00 0.00 H new ATOM 0 HA TRP A 84 -5.143 -10.039 -12.572 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -7.349 -11.461 -10.968 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -5.781 -12.193 -11.249 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -3.819 -11.449 -9.738 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.509 -9.750 -7.815 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -8.260 -8.963 -10.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -5.023 -7.592 -6.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -8.802 -7.094 -8.617 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -7.188 -6.401 -6.868 1.00 0.00 H new ATOM 777 N MET A 85 -5.583 -11.333 -14.627 1.00 0.00 N ATOM 778 CA MET A 85 -5.829 -12.180 -15.831 1.00 0.00 C ATOM 779 C MET A 85 -4.557 -12.946 -16.208 1.00 0.00 C ATOM 780 O MET A 85 -3.466 -12.413 -16.173 1.00 0.00 O ATOM 781 CB MET A 85 -6.218 -11.196 -16.934 1.00 0.00 C ATOM 782 CG MET A 85 -4.980 -10.429 -17.396 1.00 0.00 C ATOM 783 SD MET A 85 -5.464 -8.769 -17.932 1.00 0.00 S ATOM 784 CE MET A 85 -6.250 -9.255 -19.488 1.00 0.00 C ATOM 0 H MET A 85 -4.713 -10.801 -14.640 1.00 0.00 H new ATOM 0 HA MET A 85 -6.606 -12.926 -15.662 1.00 0.00 H new ATOM 0 HB2 MET A 85 -6.661 -11.732 -17.774 1.00 0.00 H new ATOM 0 HB3 MET A 85 -6.973 -10.501 -16.566 1.00 0.00 H new ATOM 0 HG2 MET A 85 -4.255 -10.364 -16.584 1.00 0.00 H new ATOM 0 HG3 MET A 85 -4.495 -10.960 -18.215 1.00 0.00 H new ATOM 0 HE1 MET A 85 -5.823 -8.677 -20.307 1.00 0.00 H new ATOM 0 HE2 MET A 85 -6.079 -10.317 -19.666 1.00 0.00 H new ATOM 0 HE3 MET A 85 -7.322 -9.065 -19.429 1.00 0.00 H new ATOM 794 N THR A 86 -4.690 -14.196 -16.566 1.00 0.00 N ATOM 795 CA THR A 86 -3.489 -15.000 -16.941 1.00 0.00 C ATOM 796 C THR A 86 -3.412 -15.171 -18.462 1.00 0.00 C ATOM 797 O THR A 86 -2.399 -15.575 -18.996 1.00 0.00 O ATOM 798 CB THR A 86 -3.698 -16.357 -16.261 1.00 0.00 C ATOM 799 OG1 THR A 86 -3.795 -16.170 -14.858 1.00 0.00 O ATOM 800 CG2 THR A 86 -2.518 -17.278 -16.569 1.00 0.00 C ATOM 0 H THR A 86 -5.578 -14.695 -16.615 1.00 0.00 H new ATOM 0 HA THR A 86 -2.560 -14.521 -16.631 1.00 0.00 H new ATOM 0 HB THR A 86 -4.616 -16.810 -16.636 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.422 -16.823 -14.484 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.672 -18.241 -16.083 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.441 -17.423 -17.647 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.598 -16.827 -16.197 1.00 0.00 H new ATOM 808 N ARG A 87 -4.473 -14.878 -19.165 1.00 0.00 N ATOM 809 CA ARG A 87 -4.444 -15.042 -20.649 1.00 0.00 C ATOM 810 C ARG A 87 -4.211 -13.698 -21.349 1.00 0.00 C ATOM 811 O ARG A 87 -3.150 -13.448 -21.885 1.00 0.00 O ATOM 812 CB ARG A 87 -5.816 -15.612 -21.010 1.00 0.00 C ATOM 813 CG ARG A 87 -5.707 -16.388 -22.321 1.00 0.00 C ATOM 814 CD ARG A 87 -7.086 -16.916 -22.721 1.00 0.00 C ATOM 815 NE ARG A 87 -6.855 -17.675 -23.982 1.00 0.00 N ATOM 816 CZ ARG A 87 -7.730 -17.613 -24.953 1.00 0.00 C ATOM 817 NH1 ARG A 87 -7.993 -16.468 -25.527 1.00 0.00 N ATOM 818 NH2 ARG A 87 -8.343 -18.696 -25.348 1.00 0.00 N ATOM 0 H ARG A 87 -5.353 -14.535 -18.780 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.631 -15.694 -20.969 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.172 -16.266 -20.214 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.543 -14.806 -21.110 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.312 -15.743 -23.106 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.008 -17.217 -22.208 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.504 -17.557 -21.945 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.792 -16.100 -22.875 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.015 -18.243 -24.088 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.516 -15.621 -25.218 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.675 -16.422 -26.284 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.140 -19.589 -24.900 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.025 -18.649 -26.105 1.00 0.00 H new ATOM 832 N GLY A 88 -5.188 -12.834 -21.357 1.00 0.00 N ATOM 833 CA GLY A 88 -5.005 -11.518 -22.034 1.00 0.00 C ATOM 834 C GLY A 88 -4.334 -11.738 -23.392 1.00 0.00 C ATOM 835 O GLY A 88 -3.211 -11.330 -23.613 1.00 0.00 O ATOM 0 H GLY A 88 -6.101 -12.980 -20.927 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.969 -11.027 -22.167 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.394 -10.860 -21.416 1.00 0.00 H new ATOM 839 N SER A 89 -5.014 -12.383 -24.302 1.00 0.00 N ATOM 840 CA SER A 89 -4.412 -12.634 -25.644 1.00 0.00 C ATOM 841 C SER A 89 -5.270 -11.997 -26.743 1.00 0.00 C ATOM 842 O SER A 89 -5.852 -12.679 -27.561 1.00 0.00 O ATOM 843 CB SER A 89 -4.394 -14.156 -25.790 1.00 0.00 C ATOM 844 OG SER A 89 -5.722 -14.632 -25.969 1.00 0.00 O ATOM 0 H SER A 89 -5.959 -12.746 -24.175 1.00 0.00 H new ATOM 0 HA SER A 89 -3.415 -12.203 -25.735 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.776 -14.443 -26.641 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.949 -14.611 -24.905 1.00 0.00 H new ATOM 0 HG SER A 89 -6.088 -14.274 -26.804 1.00 0.00 H new ATOM 850 N MET A 90 -5.345 -10.693 -26.769 1.00 0.00 N ATOM 851 CA MET A 90 -6.162 -10.012 -27.817 1.00 0.00 C ATOM 852 C MET A 90 -5.247 -9.331 -28.839 1.00 0.00 C ATOM 853 O MET A 90 -5.408 -9.486 -30.033 1.00 0.00 O ATOM 854 CB MET A 90 -6.993 -8.971 -27.064 1.00 0.00 C ATOM 855 CG MET A 90 -7.957 -9.680 -26.111 1.00 0.00 C ATOM 856 SD MET A 90 -9.215 -10.560 -27.069 1.00 0.00 S ATOM 857 CE MET A 90 -8.649 -12.238 -26.698 1.00 0.00 C ATOM 0 H MET A 90 -4.877 -10.070 -26.111 1.00 0.00 H new ATOM 0 HA MET A 90 -6.791 -10.711 -28.368 1.00 0.00 H new ATOM 0 HB2 MET A 90 -6.338 -8.303 -26.505 1.00 0.00 H new ATOM 0 HB3 MET A 90 -7.550 -8.355 -27.770 1.00 0.00 H new ATOM 0 HG2 MET A 90 -7.411 -10.380 -25.478 1.00 0.00 H new ATOM 0 HG3 MET A 90 -8.430 -8.955 -25.449 1.00 0.00 H new ATOM 0 HE1 MET A 90 -8.204 -12.678 -27.591 1.00 0.00 H new ATOM 0 HE2 MET A 90 -7.906 -12.203 -25.902 1.00 0.00 H new ATOM 0 HE3 MET A 90 -9.496 -12.845 -26.378 1.00 0.00 H new ATOM 867 N VAL A 91 -4.287 -8.578 -28.377 1.00 0.00 N ATOM 868 CA VAL A 91 -3.361 -7.886 -29.319 1.00 0.00 C ATOM 869 C VAL A 91 -1.941 -8.453 -29.168 1.00 0.00 C ATOM 870 O VAL A 91 -1.579 -8.978 -28.134 1.00 0.00 O ATOM 871 CB VAL A 91 -3.423 -6.414 -28.910 1.00 0.00 C ATOM 872 CG1 VAL A 91 -2.493 -5.594 -29.803 1.00 0.00 C ATOM 873 CG2 VAL A 91 -4.857 -5.906 -29.073 1.00 0.00 C ATOM 0 H VAL A 91 -4.103 -8.412 -27.388 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.636 -8.022 -30.365 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.111 -6.312 -27.871 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.539 -4.545 -29.510 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.471 -5.957 -29.694 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.805 -5.694 -30.843 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.906 -4.857 -28.783 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.163 -6.009 -30.114 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.524 -6.490 -28.439 1.00 0.00 H new ATOM 883 N GLY A 92 -1.144 -8.372 -30.202 1.00 0.00 N ATOM 884 CA GLY A 92 0.245 -8.928 -30.136 1.00 0.00 C ATOM 885 C GLY A 92 1.149 -8.050 -29.263 1.00 0.00 C ATOM 886 O GLY A 92 1.630 -8.489 -28.237 1.00 0.00 O ATOM 0 H GLY A 92 -1.394 -7.944 -31.093 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.216 -9.940 -29.733 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.661 -8.997 -31.141 1.00 0.00 H new ATOM 890 N PRO A 93 1.369 -6.845 -29.707 1.00 0.00 N ATOM 891 CA PRO A 93 2.246 -5.896 -28.964 1.00 0.00 C ATOM 892 C PRO A 93 1.711 -5.596 -27.557 1.00 0.00 C ATOM 893 O PRO A 93 2.472 -5.344 -26.644 1.00 0.00 O ATOM 894 CB PRO A 93 2.245 -4.649 -29.852 1.00 0.00 C ATOM 895 CG PRO A 93 0.991 -4.766 -30.655 1.00 0.00 C ATOM 896 CD PRO A 93 0.825 -6.235 -30.924 1.00 0.00 C ATOM 0 HA PRO A 93 3.246 -6.294 -28.791 1.00 0.00 H new ATOM 0 HB2 PRO A 93 2.251 -3.737 -29.256 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.126 -4.617 -30.493 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.136 -4.368 -30.109 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.066 -4.202 -31.585 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.220 -6.503 -31.080 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.371 -6.549 -31.814 1.00 0.00 H new ATOM 904 N PHE A 94 0.422 -5.619 -27.363 1.00 0.00 N ATOM 905 CA PHE A 94 -0.120 -5.332 -26.000 1.00 0.00 C ATOM 906 C PHE A 94 0.235 -6.466 -25.034 1.00 0.00 C ATOM 907 O PHE A 94 0.578 -6.239 -23.890 1.00 0.00 O ATOM 908 CB PHE A 94 -1.634 -5.243 -26.177 1.00 0.00 C ATOM 909 CG PHE A 94 -2.264 -4.757 -24.893 1.00 0.00 C ATOM 910 CD1 PHE A 94 -2.003 -3.461 -24.430 1.00 0.00 C ATOM 911 CD2 PHE A 94 -3.106 -5.603 -24.163 1.00 0.00 C ATOM 912 CE1 PHE A 94 -2.585 -3.013 -23.239 1.00 0.00 C ATOM 913 CE2 PHE A 94 -3.689 -5.155 -22.972 1.00 0.00 C ATOM 914 CZ PHE A 94 -3.428 -3.860 -22.509 1.00 0.00 C ATOM 0 H PHE A 94 -0.276 -5.822 -28.079 1.00 0.00 H new ATOM 0 HA PHE A 94 0.297 -4.415 -25.583 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -1.876 -4.563 -26.993 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -2.037 -6.219 -26.446 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -1.353 -2.808 -24.992 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -3.306 -6.603 -24.519 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.384 -2.014 -22.883 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -4.340 -5.808 -22.410 1.00 0.00 H new ATOM 0 HZ PHE A 94 -3.877 -3.514 -21.589 1.00 0.00 H new ATOM 924 N GLN A 95 0.148 -7.687 -25.486 1.00 0.00 N ATOM 925 CA GLN A 95 0.471 -8.841 -24.594 1.00 0.00 C ATOM 926 C GLN A 95 1.981 -8.935 -24.358 1.00 0.00 C ATOM 927 O GLN A 95 2.431 -9.380 -23.322 1.00 0.00 O ATOM 928 CB GLN A 95 -0.023 -10.072 -25.352 1.00 0.00 C ATOM 929 CG GLN A 95 0.213 -11.320 -24.500 1.00 0.00 C ATOM 930 CD GLN A 95 -0.514 -12.514 -25.125 1.00 0.00 C ATOM 931 OE1 GLN A 95 -0.103 -13.021 -26.150 1.00 0.00 O ATOM 932 NE2 GLN A 95 -1.585 -12.989 -24.549 1.00 0.00 N ATOM 0 H GLN A 95 -0.133 -7.937 -26.434 1.00 0.00 H new ATOM 0 HA GLN A 95 0.005 -8.742 -23.614 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.084 -9.970 -25.582 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.502 -10.162 -26.303 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.281 -11.528 -24.429 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.147 -11.153 -23.485 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.932 -12.565 -23.689 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.075 -13.784 -24.959 1.00 0.00 H new ATOM 941 N GLU A 96 2.763 -8.529 -25.319 1.00 0.00 N ATOM 942 CA GLU A 96 4.245 -8.602 -25.164 1.00 0.00 C ATOM 943 C GLU A 96 4.720 -7.724 -24.002 1.00 0.00 C ATOM 944 O GLU A 96 5.754 -7.968 -23.413 1.00 0.00 O ATOM 945 CB GLU A 96 4.796 -8.076 -26.488 1.00 0.00 C ATOM 946 CG GLU A 96 4.420 -9.039 -27.614 1.00 0.00 C ATOM 947 CD GLU A 96 5.640 -9.880 -27.991 1.00 0.00 C ATOM 948 OE1 GLU A 96 6.532 -9.997 -27.168 1.00 0.00 O ATOM 949 OE2 GLU A 96 5.661 -10.393 -29.097 1.00 0.00 O ATOM 0 H GLU A 96 2.440 -8.148 -26.208 1.00 0.00 H new ATOM 0 HA GLU A 96 4.583 -9.614 -24.942 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.393 -7.084 -26.694 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.880 -7.974 -26.429 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.602 -9.686 -27.296 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.067 -8.482 -28.481 1.00 0.00 H new ATOM 956 N ALA A 97 3.989 -6.696 -23.675 1.00 0.00 N ATOM 957 CA ALA A 97 4.426 -5.805 -22.562 1.00 0.00 C ATOM 958 C ALA A 97 3.769 -6.207 -21.235 1.00 0.00 C ATOM 959 O ALA A 97 4.438 -6.430 -20.246 1.00 0.00 O ATOM 960 CB ALA A 97 3.968 -4.408 -22.981 1.00 0.00 C ATOM 0 H ALA A 97 3.113 -6.434 -24.126 1.00 0.00 H new ATOM 0 HA ALA A 97 5.502 -5.862 -22.398 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.251 -3.687 -22.214 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.441 -4.138 -23.925 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.885 -4.402 -23.103 1.00 0.00 H new ATOM 966 N ALA A 98 2.468 -6.284 -21.200 1.00 0.00 N ATOM 967 CA ALA A 98 1.776 -6.648 -19.927 1.00 0.00 C ATOM 968 C ALA A 98 2.290 -7.979 -19.366 1.00 0.00 C ATOM 969 O ALA A 98 2.564 -8.099 -18.188 1.00 0.00 O ATOM 970 CB ALA A 98 0.299 -6.769 -20.303 1.00 0.00 C ATOM 0 H ALA A 98 1.853 -6.111 -21.995 1.00 0.00 H new ATOM 0 HA ALA A 98 1.953 -5.903 -19.152 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.281 -7.035 -19.419 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.056 -5.816 -20.696 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.179 -7.542 -21.062 1.00 0.00 H new ATOM 976 N PHE A 99 2.400 -8.984 -20.187 1.00 0.00 N ATOM 977 CA PHE A 99 2.868 -10.309 -19.682 1.00 0.00 C ATOM 978 C PHE A 99 4.375 -10.496 -19.903 1.00 0.00 C ATOM 979 O PHE A 99 4.958 -11.452 -19.432 1.00 0.00 O ATOM 980 CB PHE A 99 2.093 -11.335 -20.511 1.00 0.00 C ATOM 981 CG PHE A 99 0.895 -11.842 -19.740 1.00 0.00 C ATOM 982 CD1 PHE A 99 1.063 -12.445 -18.486 1.00 0.00 C ATOM 983 CD2 PHE A 99 -0.388 -11.721 -20.289 1.00 0.00 C ATOM 984 CE1 PHE A 99 -0.052 -12.926 -17.785 1.00 0.00 C ATOM 985 CE2 PHE A 99 -1.499 -12.204 -19.591 1.00 0.00 C ATOM 986 CZ PHE A 99 -1.334 -12.805 -18.339 1.00 0.00 C ATOM 0 H PHE A 99 2.187 -8.949 -21.184 1.00 0.00 H new ATOM 0 HA PHE A 99 2.698 -10.408 -18.610 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.766 -10.883 -21.447 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.745 -12.169 -20.771 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.051 -12.539 -18.060 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.519 -11.254 -21.254 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.077 -13.390 -16.818 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.486 -12.113 -20.019 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.193 -13.175 -17.800 1.00 0.00 H new ATOM 996 N ALA A 100 5.015 -9.613 -20.625 1.00 0.00 N ATOM 997 CA ALA A 100 6.478 -9.795 -20.868 1.00 0.00 C ATOM 998 C ALA A 100 7.270 -8.520 -20.565 1.00 0.00 C ATOM 999 O ALA A 100 8.340 -8.311 -21.102 1.00 0.00 O ATOM 1000 CB ALA A 100 6.587 -10.146 -22.351 1.00 0.00 C ATOM 0 H ALA A 100 4.597 -8.786 -21.051 1.00 0.00 H new ATOM 0 HA ALA A 100 6.893 -10.566 -20.219 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.634 -10.297 -22.613 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.028 -11.060 -22.551 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.177 -9.332 -22.949 1.00 0.00 H new ATOM 1006 N LEU A 101 6.779 -7.671 -19.706 1.00 0.00 N ATOM 1007 CA LEU A 101 7.551 -6.434 -19.391 1.00 0.00 C ATOM 1008 C LEU A 101 8.937 -6.820 -18.866 1.00 0.00 C ATOM 1009 O LEU A 101 9.065 -7.718 -18.058 1.00 0.00 O ATOM 1010 CB LEU A 101 6.746 -5.705 -18.312 1.00 0.00 C ATOM 1011 CG LEU A 101 7.249 -4.265 -18.190 1.00 0.00 C ATOM 1012 CD1 LEU A 101 6.764 -3.449 -19.389 1.00 0.00 C ATOM 1013 CD2 LEU A 101 6.705 -3.643 -16.903 1.00 0.00 C ATOM 0 H LEU A 101 5.891 -7.775 -19.215 1.00 0.00 H new ATOM 0 HA LEU A 101 7.696 -5.801 -20.266 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.686 -5.712 -18.566 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.848 -6.220 -17.357 1.00 0.00 H new ATOM 0 HG LEU A 101 8.339 -4.264 -18.166 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.123 -2.424 -19.301 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.148 -3.890 -20.309 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.674 -3.451 -19.414 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.063 -2.617 -16.815 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.615 -3.646 -16.930 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.049 -4.222 -16.046 1.00 0.00 H new ATOM 1138 N VAL A 110 6.775 -1.180 -12.355 1.00 0.00 N ATOM 1139 CA VAL A 110 6.321 0.083 -13.016 1.00 0.00 C ATOM 1140 C VAL A 110 5.412 -0.217 -14.214 1.00 0.00 C ATOM 1141 O VAL A 110 4.809 -1.275 -14.312 1.00 0.00 O ATOM 1142 CB VAL A 110 7.602 0.806 -13.490 1.00 0.00 C ATOM 1143 CG1 VAL A 110 7.784 2.090 -12.682 1.00 0.00 C ATOM 1144 CG2 VAL A 110 8.844 -0.079 -13.303 1.00 0.00 C ATOM 0 HA VAL A 110 5.743 0.696 -12.324 1.00 0.00 H new ATOM 0 HB VAL A 110 7.493 1.032 -14.551 1.00 0.00 H new ATOM 0 HG11 VAL A 110 8.687 2.603 -13.013 1.00 0.00 H new ATOM 0 HG12 VAL A 110 6.922 2.739 -12.832 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.874 1.844 -11.624 1.00 0.00 H new ATOM 0 HG21 VAL A 110 9.728 0.458 -13.646 1.00 0.00 H new ATOM 0 HG22 VAL A 110 8.957 -0.329 -12.248 1.00 0.00 H new ATOM 0 HG23 VAL A 110 8.729 -0.995 -13.882 1.00 0.00 H new ATOM 1154 N PHE A 111 5.314 0.718 -15.127 1.00 0.00 N ATOM 1155 CA PHE A 111 4.458 0.514 -16.328 1.00 0.00 C ATOM 1156 C PHE A 111 5.294 0.683 -17.599 1.00 0.00 C ATOM 1157 O PHE A 111 6.388 1.209 -17.570 1.00 0.00 O ATOM 1158 CB PHE A 111 3.381 1.600 -16.251 1.00 0.00 C ATOM 1159 CG PHE A 111 4.028 2.956 -16.105 1.00 0.00 C ATOM 1160 CD1 PHE A 111 4.307 3.466 -14.831 1.00 0.00 C ATOM 1161 CD2 PHE A 111 4.341 3.709 -17.243 1.00 0.00 C ATOM 1162 CE1 PHE A 111 4.896 4.728 -14.695 1.00 0.00 C ATOM 1163 CE2 PHE A 111 4.932 4.971 -17.107 1.00 0.00 C ATOM 1164 CZ PHE A 111 5.210 5.480 -15.834 1.00 0.00 C ATOM 0 H PHE A 111 5.794 1.617 -15.088 1.00 0.00 H new ATOM 0 HA PHE A 111 4.022 -0.485 -16.356 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.764 1.577 -17.149 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.720 1.410 -15.405 1.00 0.00 H new ATOM 0 HD1 PHE A 111 4.067 2.885 -13.953 1.00 0.00 H new ATOM 0 HD2 PHE A 111 4.127 3.316 -18.226 1.00 0.00 H new ATOM 0 HE1 PHE A 111 5.108 5.122 -13.712 1.00 0.00 H new ATOM 0 HE2 PHE A 111 5.173 5.552 -17.985 1.00 0.00 H new ATOM 0 HZ PHE A 111 5.667 6.453 -15.730 1.00 0.00 H new ATOM 1174 N THR A 112 4.784 0.236 -18.712 1.00 0.00 N ATOM 1175 CA THR A 112 5.544 0.363 -19.988 1.00 0.00 C ATOM 1176 C THR A 112 6.034 1.803 -20.181 1.00 0.00 C ATOM 1177 O THR A 112 5.294 2.671 -20.599 1.00 0.00 O ATOM 1178 CB THR A 112 4.539 -0.018 -21.077 1.00 0.00 C ATOM 1179 OG1 THR A 112 3.374 0.792 -20.959 1.00 0.00 O ATOM 1180 CG2 THR A 112 4.156 -1.491 -20.922 1.00 0.00 C ATOM 0 H THR A 112 3.872 -0.213 -18.794 1.00 0.00 H new ATOM 0 HA THR A 112 6.431 -0.270 -20.007 1.00 0.00 H new ATOM 0 HB THR A 112 4.989 0.141 -22.057 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.629 1.692 -20.667 1.00 0.00 H new ATOM 0 HG21 THR A 112 3.440 -1.764 -21.697 1.00 0.00 H new ATOM 0 HG22 THR A 112 5.048 -2.111 -21.017 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.707 -1.649 -19.941 1.00 0.00 H new ATOM 1188 N ASP A 113 7.280 2.061 -19.883 1.00 0.00 N ATOM 1189 CA ASP A 113 7.821 3.440 -20.054 1.00 0.00 C ATOM 1190 C ASP A 113 9.030 3.410 -21.004 1.00 0.00 C ATOM 1191 O ASP A 113 10.029 2.789 -20.699 1.00 0.00 O ATOM 1192 CB ASP A 113 8.256 3.870 -18.652 1.00 0.00 C ATOM 1193 CG ASP A 113 8.747 5.318 -18.691 1.00 0.00 C ATOM 1194 OD1 ASP A 113 8.761 5.890 -19.768 1.00 0.00 O ATOM 1195 OD2 ASP A 113 9.104 5.831 -17.643 1.00 0.00 O ATOM 0 H ASP A 113 7.947 1.375 -19.528 1.00 0.00 H new ATOM 0 HA ASP A 113 7.089 4.126 -20.481 1.00 0.00 H new ATOM 0 HB2 ASP A 113 7.422 3.776 -17.956 1.00 0.00 H new ATOM 0 HB3 ASP A 113 9.049 3.216 -18.289 1.00 0.00 H new ATOM 1200 N PRO A 114 8.908 4.073 -22.132 1.00 0.00 N ATOM 1201 CA PRO A 114 7.670 4.824 -22.475 1.00 0.00 C ATOM 1202 C PRO A 114 6.523 3.857 -22.783 1.00 0.00 C ATOM 1203 O PRO A 114 6.741 2.683 -23.011 1.00 0.00 O ATOM 1204 CB PRO A 114 8.063 5.621 -23.717 1.00 0.00 C ATOM 1205 CG PRO A 114 9.192 4.854 -24.325 1.00 0.00 C ATOM 1206 CD PRO A 114 9.919 4.176 -23.193 1.00 0.00 C ATOM 0 HA PRO A 114 7.317 5.460 -21.663 1.00 0.00 H new ATOM 0 HB2 PRO A 114 7.227 5.709 -24.411 1.00 0.00 H new ATOM 0 HB3 PRO A 114 8.369 6.634 -23.456 1.00 0.00 H new ATOM 0 HG2 PRO A 114 8.820 4.120 -25.040 1.00 0.00 H new ATOM 0 HG3 PRO A 114 9.861 5.519 -24.871 1.00 0.00 H new ATOM 0 HD2 PRO A 114 10.290 3.194 -23.488 1.00 0.00 H new ATOM 0 HD3 PRO A 114 10.781 4.758 -22.867 1.00 0.00 H new ATOM 1214 N PRO A 115 5.333 4.390 -22.781 1.00 0.00 N ATOM 1215 CA PRO A 115 4.129 3.571 -23.064 1.00 0.00 C ATOM 1216 C PRO A 115 4.092 3.175 -24.541 1.00 0.00 C ATOM 1217 O PRO A 115 5.002 3.464 -25.293 1.00 0.00 O ATOM 1218 CB PRO A 115 2.972 4.501 -22.713 1.00 0.00 C ATOM 1219 CG PRO A 115 3.532 5.880 -22.853 1.00 0.00 C ATOM 1220 CD PRO A 115 4.997 5.792 -22.518 1.00 0.00 C ATOM 0 HA PRO A 115 4.099 2.638 -22.501 1.00 0.00 H new ATOM 0 HB2 PRO A 115 2.125 4.348 -23.382 1.00 0.00 H new ATOM 0 HB3 PRO A 115 2.614 4.321 -21.699 1.00 0.00 H new ATOM 0 HG2 PRO A 115 3.389 6.254 -23.867 1.00 0.00 H new ATOM 0 HG3 PRO A 115 3.023 6.573 -22.183 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.590 6.468 -23.135 1.00 0.00 H new ATOM 0 HD3 PRO A 115 5.186 6.060 -21.479 1.00 0.00 H new ATOM 1228 N VAL A 116 3.052 2.513 -24.965 1.00 0.00 N ATOM 1229 CA VAL A 116 2.973 2.100 -26.393 1.00 0.00 C ATOM 1230 C VAL A 116 2.025 3.023 -27.164 1.00 0.00 C ATOM 1231 O VAL A 116 1.136 3.630 -26.602 1.00 0.00 O ATOM 1232 CB VAL A 116 2.431 0.671 -26.362 1.00 0.00 C ATOM 1233 CG1 VAL A 116 3.386 -0.221 -25.564 1.00 0.00 C ATOM 1234 CG2 VAL A 116 1.055 0.663 -25.693 1.00 0.00 C ATOM 0 H VAL A 116 2.257 2.241 -24.387 1.00 0.00 H new ATOM 0 HA VAL A 116 3.940 2.157 -26.893 1.00 0.00 H new ATOM 0 HB VAL A 116 2.345 0.294 -27.381 1.00 0.00 H new ATOM 0 HG11 VAL A 116 2.999 -1.240 -25.542 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.369 -0.216 -26.036 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.471 0.157 -24.545 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.667 -0.355 -25.670 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.144 1.040 -24.674 1.00 0.00 H new ATOM 0 HG23 VAL A 116 0.372 1.298 -26.257 1.00 0.00 H new ATOM 1244 N LYS A 117 2.214 3.130 -28.450 1.00 0.00 N ATOM 1245 CA LYS A 117 1.333 4.007 -29.273 1.00 0.00 C ATOM 1246 C LYS A 117 0.705 3.186 -30.403 1.00 0.00 C ATOM 1247 O LYS A 117 1.394 2.510 -31.140 1.00 0.00 O ATOM 1248 CB LYS A 117 2.270 5.074 -29.839 1.00 0.00 C ATOM 1249 CG LYS A 117 1.451 6.181 -30.507 1.00 0.00 C ATOM 1250 CD LYS A 117 2.401 7.184 -31.165 1.00 0.00 C ATOM 1251 CE LYS A 117 3.320 7.792 -30.104 1.00 0.00 C ATOM 1252 NZ LYS A 117 4.260 8.663 -30.863 1.00 0.00 N ATOM 0 H LYS A 117 2.945 2.645 -28.970 1.00 0.00 H new ATOM 0 HA LYS A 117 0.516 4.446 -28.701 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.883 5.493 -29.041 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.951 4.626 -30.562 1.00 0.00 H new ATOM 0 HG2 LYS A 117 0.781 5.754 -31.253 1.00 0.00 H new ATOM 0 HG3 LYS A 117 0.827 6.684 -29.768 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.994 6.688 -31.934 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.830 7.970 -31.660 1.00 0.00 H new ATOM 0 HE2 LYS A 117 2.752 8.367 -29.372 1.00 0.00 H new ATOM 0 HE3 LYS A 117 3.855 7.018 -29.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 4.923 9.116 -30.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 4.791 8.087 -31.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 3.722 9.395 -31.370 1.00 0.00 H new ATOM 1266 N THR A 118 -0.593 3.223 -30.541 1.00 0.00 N ATOM 1267 CA THR A 118 -1.239 2.424 -31.623 1.00 0.00 C ATOM 1268 C THR A 118 -2.360 3.223 -32.300 1.00 0.00 C ATOM 1269 O THR A 118 -2.577 4.381 -32.004 1.00 0.00 O ATOM 1270 CB THR A 118 -1.804 1.193 -30.916 1.00 0.00 C ATOM 1271 OG1 THR A 118 -2.622 1.607 -29.831 1.00 0.00 O ATOM 1272 CG2 THR A 118 -0.651 0.334 -30.390 1.00 0.00 C ATOM 0 H THR A 118 -1.229 3.766 -29.958 1.00 0.00 H new ATOM 0 HA THR A 118 -0.534 2.159 -32.411 1.00 0.00 H new ATOM 0 HB THR A 118 -2.400 0.609 -31.618 1.00 0.00 H new ATOM 0 HG1 THR A 118 -3.391 1.004 -29.752 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.053 -0.545 -29.885 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.023 0.018 -31.223 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.055 0.916 -29.687 1.00 0.00 H new ATOM 1280 N LYS A 119 -3.069 2.610 -33.215 1.00 0.00 N ATOM 1281 CA LYS A 119 -4.171 3.330 -33.924 1.00 0.00 C ATOM 1282 C LYS A 119 -5.364 3.555 -32.989 1.00 0.00 C ATOM 1283 O LYS A 119 -6.036 4.565 -33.062 1.00 0.00 O ATOM 1284 CB LYS A 119 -4.570 2.411 -35.078 1.00 0.00 C ATOM 1285 CG LYS A 119 -5.582 3.131 -35.973 1.00 0.00 C ATOM 1286 CD LYS A 119 -5.700 2.393 -37.307 1.00 0.00 C ATOM 1287 CE LYS A 119 -7.062 2.693 -37.936 1.00 0.00 C ATOM 1288 NZ LYS A 119 -6.819 3.845 -38.848 1.00 0.00 N ATOM 0 H LYS A 119 -2.932 1.641 -33.502 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.853 4.314 -34.270 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.689 2.132 -35.657 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.002 1.488 -34.690 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.554 3.172 -35.481 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.266 4.161 -36.142 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.900 2.704 -37.979 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.587 1.320 -37.153 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.443 1.830 -38.482 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -7.802 2.941 -37.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -7.708 4.110 -39.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -6.463 4.653 -38.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.115 3.577 -39.566 1.00 0.00 H new ATOM 1302 N PHE A 120 -5.633 2.630 -32.107 1.00 0.00 N ATOM 1303 CA PHE A 120 -6.789 2.821 -31.175 1.00 0.00 C ATOM 1304 C PHE A 120 -6.385 3.747 -30.024 1.00 0.00 C ATOM 1305 O PHE A 120 -7.129 3.946 -29.085 1.00 0.00 O ATOM 1306 CB PHE A 120 -7.199 1.433 -30.639 1.00 0.00 C ATOM 1307 CG PHE A 120 -6.006 0.512 -30.508 1.00 0.00 C ATOM 1308 CD1 PHE A 120 -5.264 0.503 -29.325 1.00 0.00 C ATOM 1309 CD2 PHE A 120 -5.649 -0.335 -31.566 1.00 0.00 C ATOM 1310 CE1 PHE A 120 -4.162 -0.351 -29.195 1.00 0.00 C ATOM 1311 CE2 PHE A 120 -4.546 -1.187 -31.438 1.00 0.00 C ATOM 1312 CZ PHE A 120 -3.803 -1.195 -30.253 1.00 0.00 C ATOM 0 H PHE A 120 -5.112 1.761 -31.990 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.629 3.282 -31.695 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -7.681 1.545 -29.668 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.933 0.986 -31.309 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -5.540 1.155 -28.510 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -6.225 -0.330 -32.480 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -3.589 -0.359 -28.279 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -4.269 -1.838 -32.254 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.952 -1.853 -30.154 1.00 0.00 H new ATOM 1322 N GLY A 121 -5.217 4.328 -30.100 1.00 0.00 N ATOM 1323 CA GLY A 121 -4.774 5.252 -29.022 1.00 0.00 C ATOM 1324 C GLY A 121 -3.522 4.700 -28.344 1.00 0.00 C ATOM 1325 O GLY A 121 -3.067 3.612 -28.641 1.00 0.00 O ATOM 0 H GLY A 121 -4.552 4.201 -30.863 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -4.567 6.238 -29.439 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.570 5.376 -28.288 1.00 0.00 H new ATOM 1329 N TYR A 122 -2.964 5.443 -27.430 1.00 0.00 N ATOM 1330 CA TYR A 122 -1.745 4.965 -26.721 1.00 0.00 C ATOM 1331 C TYR A 122 -2.133 4.443 -25.335 1.00 0.00 C ATOM 1332 O TYR A 122 -3.117 4.866 -24.762 1.00 0.00 O ATOM 1333 CB TYR A 122 -0.831 6.188 -26.625 1.00 0.00 C ATOM 1334 CG TYR A 122 -1.485 7.280 -25.806 1.00 0.00 C ATOM 1335 CD1 TYR A 122 -2.306 8.237 -26.422 1.00 0.00 C ATOM 1336 CD2 TYR A 122 -1.255 7.345 -24.428 1.00 0.00 C ATOM 1337 CE1 TYR A 122 -2.894 9.251 -25.654 1.00 0.00 C ATOM 1338 CE2 TYR A 122 -1.842 8.360 -23.664 1.00 0.00 C ATOM 1339 CZ TYR A 122 -2.661 9.313 -24.277 1.00 0.00 C ATOM 1340 OH TYR A 122 -3.238 10.313 -23.523 1.00 0.00 O ATOM 0 H TYR A 122 -3.300 6.362 -27.143 1.00 0.00 H new ATOM 0 HA TYR A 122 -1.246 4.145 -27.238 1.00 0.00 H new ATOM 0 HB2 TYR A 122 0.118 5.904 -26.170 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -0.607 6.561 -27.625 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -2.484 8.192 -27.486 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -0.623 6.610 -23.952 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -3.528 9.986 -26.127 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -1.662 8.407 -22.600 1.00 0.00 H new ATOM 0 HH TYR A 122 -4.159 10.460 -23.824 1.00 0.00 H new ATOM 1350 N HIS A 123 -1.392 3.510 -24.796 1.00 0.00 N ATOM 1351 CA HIS A 123 -1.769 2.965 -23.460 1.00 0.00 C ATOM 1352 C HIS A 123 -0.572 2.907 -22.507 1.00 0.00 C ATOM 1353 O HIS A 123 0.525 2.539 -22.882 1.00 0.00 O ATOM 1354 CB HIS A 123 -2.264 1.541 -23.731 1.00 0.00 C ATOM 1355 CG HIS A 123 -3.163 1.519 -24.936 1.00 0.00 C ATOM 1356 ND1 HIS A 123 -4.448 1.000 -24.888 1.00 0.00 N ATOM 1357 CD2 HIS A 123 -2.972 1.923 -26.234 1.00 0.00 C ATOM 1358 CE1 HIS A 123 -4.974 1.103 -26.121 1.00 0.00 C ATOM 1359 NE2 HIS A 123 -4.115 1.659 -26.979 1.00 0.00 N ATOM 0 H HIS A 123 -0.554 3.107 -25.216 1.00 0.00 H new ATOM 0 HA HIS A 123 -2.518 3.599 -22.986 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -1.414 0.878 -23.892 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -2.802 1.164 -22.861 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -2.070 2.377 -26.618 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -5.969 0.776 -26.385 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -4.266 1.849 -27.970 1.00 0.00 H new ATOM 1367 N ILE A 124 -0.801 3.227 -21.262 1.00 0.00 N ATOM 1368 CA ILE A 124 0.289 3.149 -20.247 1.00 0.00 C ATOM 1369 C ILE A 124 -0.137 2.126 -19.185 1.00 0.00 C ATOM 1370 O ILE A 124 -1.036 2.362 -18.407 1.00 0.00 O ATOM 1371 CB ILE A 124 0.421 4.571 -19.674 1.00 0.00 C ATOM 1372 CG1 ILE A 124 1.813 4.745 -19.062 1.00 0.00 C ATOM 1373 CG2 ILE A 124 -0.635 4.825 -18.595 1.00 0.00 C ATOM 1374 CD1 ILE A 124 2.172 6.232 -19.030 1.00 0.00 C ATOM 0 H ILE A 124 -1.702 3.541 -20.902 1.00 0.00 H new ATOM 0 HA ILE A 124 1.250 2.826 -20.647 1.00 0.00 H new ATOM 0 HB ILE A 124 0.273 5.284 -20.485 1.00 0.00 H new ATOM 0 HG12 ILE A 124 1.833 4.333 -18.053 1.00 0.00 H new ATOM 0 HG13 ILE A 124 2.550 4.194 -19.646 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -0.521 5.837 -18.205 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -1.630 4.712 -19.026 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -0.507 4.108 -17.784 1.00 0.00 H new ATOM 0 HD11 ILE A 124 3.163 6.358 -18.594 1.00 0.00 H new ATOM 0 HD12 ILE A 124 2.169 6.629 -20.045 1.00 0.00 H new ATOM 0 HD13 ILE A 124 1.440 6.770 -18.428 1.00 0.00 H new ATOM 1386 N ILE A 125 0.451 0.963 -19.183 1.00 0.00 N ATOM 1387 CA ILE A 125 0.006 -0.074 -18.204 1.00 0.00 C ATOM 1388 C ILE A 125 1.091 -0.430 -17.188 1.00 0.00 C ATOM 1389 O ILE A 125 2.271 -0.402 -17.474 1.00 0.00 O ATOM 1390 CB ILE A 125 -0.310 -1.297 -19.056 1.00 0.00 C ATOM 1391 CG1 ILE A 125 0.994 -1.877 -19.605 1.00 0.00 C ATOM 1392 CG2 ILE A 125 -1.218 -0.899 -20.219 1.00 0.00 C ATOM 1393 CD1 ILE A 125 0.677 -3.058 -20.520 1.00 0.00 C ATOM 0 H ILE A 125 1.210 0.685 -19.806 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.842 0.288 -17.622 1.00 0.00 H new ATOM 0 HB ILE A 125 -0.818 -2.043 -18.444 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.542 -1.112 -20.156 1.00 0.00 H new ATOM 0 HG13 ILE A 125 1.635 -2.200 -18.785 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.440 -1.778 -20.824 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.147 -0.482 -19.829 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.715 -0.152 -20.834 1.00 0.00 H new ATOM 0 HD11 ILE A 125 1.605 -3.473 -20.913 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.147 -3.824 -19.954 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.052 -2.720 -21.347 1.00 0.00 H new ATOM 1405 N MET A 126 0.674 -0.801 -16.010 1.00 0.00 N ATOM 1406 CA MET A 126 1.636 -1.207 -14.950 1.00 0.00 C ATOM 1407 C MET A 126 1.296 -2.629 -14.503 1.00 0.00 C ATOM 1408 O MET A 126 0.144 -3.019 -14.490 1.00 0.00 O ATOM 1409 CB MET A 126 1.414 -0.209 -13.813 1.00 0.00 C ATOM 1410 CG MET A 126 0.066 -0.486 -13.147 1.00 0.00 C ATOM 1411 SD MET A 126 -0.258 0.774 -11.890 1.00 0.00 S ATOM 1412 CE MET A 126 0.792 0.075 -10.592 1.00 0.00 C ATOM 0 H MET A 126 -0.307 -0.840 -15.734 1.00 0.00 H new ATOM 0 HA MET A 126 2.674 -1.202 -15.281 1.00 0.00 H new ATOM 0 HB2 MET A 126 2.217 -0.291 -13.081 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.438 0.810 -14.199 1.00 0.00 H new ATOM 0 HG2 MET A 126 -0.728 -0.482 -13.894 1.00 0.00 H new ATOM 0 HG3 MET A 126 0.070 -1.476 -12.692 1.00 0.00 H new ATOM 0 HE1 MET A 126 0.174 -0.222 -9.745 1.00 0.00 H new ATOM 0 HE2 MET A 126 1.319 -0.797 -10.980 1.00 0.00 H new ATOM 0 HE3 MET A 126 1.516 0.822 -10.268 1.00 0.00 H new ATOM 1422 N VAL A 127 2.275 -3.418 -14.158 1.00 0.00 N ATOM 1423 CA VAL A 127 1.965 -4.822 -13.742 1.00 0.00 C ATOM 1424 C VAL A 127 2.314 -5.055 -12.269 1.00 0.00 C ATOM 1425 O VAL A 127 3.459 -5.251 -11.913 1.00 0.00 O ATOM 1426 CB VAL A 127 2.824 -5.705 -14.647 1.00 0.00 C ATOM 1427 CG1 VAL A 127 2.224 -5.723 -16.055 1.00 0.00 C ATOM 1428 CG2 VAL A 127 4.245 -5.147 -14.710 1.00 0.00 C ATOM 0 H VAL A 127 3.262 -3.161 -14.144 1.00 0.00 H new ATOM 0 HA VAL A 127 0.902 -5.044 -13.840 1.00 0.00 H new ATOM 0 HB VAL A 127 2.850 -6.718 -14.245 1.00 0.00 H new ATOM 0 HG11 VAL A 127 2.835 -6.352 -16.703 1.00 0.00 H new ATOM 0 HG12 VAL A 127 1.210 -6.121 -16.013 1.00 0.00 H new ATOM 0 HG13 VAL A 127 2.199 -4.709 -16.453 1.00 0.00 H new ATOM 0 HG21 VAL A 127 4.855 -5.778 -15.356 1.00 0.00 H new ATOM 0 HG22 VAL A 127 4.221 -4.134 -15.111 1.00 0.00 H new ATOM 0 HG23 VAL A 127 4.674 -5.130 -13.708 1.00 0.00 H new ATOM 1438 N GLU A 128 1.329 -5.038 -11.410 1.00 0.00 N ATOM 1439 CA GLU A 128 1.598 -5.261 -9.958 1.00 0.00 C ATOM 1440 C GLU A 128 0.460 -6.061 -9.319 1.00 0.00 C ATOM 1441 O GLU A 128 -0.479 -5.499 -8.790 1.00 0.00 O ATOM 1442 CB GLU A 128 1.663 -3.861 -9.346 1.00 0.00 C ATOM 1443 CG GLU A 128 2.094 -3.968 -7.881 1.00 0.00 C ATOM 1444 CD GLU A 128 2.498 -2.588 -7.357 1.00 0.00 C ATOM 1445 OE1 GLU A 128 2.511 -1.656 -8.143 1.00 0.00 O ATOM 1446 OE2 GLU A 128 2.787 -2.488 -6.176 1.00 0.00 O ATOM 0 H GLU A 128 0.350 -4.880 -11.650 1.00 0.00 H new ATOM 0 HA GLU A 128 2.516 -5.826 -9.797 1.00 0.00 H new ATOM 0 HB2 GLU A 128 2.369 -3.242 -9.900 1.00 0.00 H new ATOM 0 HB3 GLU A 128 0.690 -3.376 -9.416 1.00 0.00 H new ATOM 0 HG2 GLU A 128 1.278 -4.370 -7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 128 2.930 -4.661 -7.788 1.00 0.00 H new ATOM 1453 N GLY A 129 0.529 -7.365 -9.350 1.00 0.00 N ATOM 1454 CA GLY A 129 -0.560 -8.174 -8.730 1.00 0.00 C ATOM 1455 C GLY A 129 -0.519 -9.616 -9.246 1.00 0.00 C ATOM 1456 O GLY A 129 -0.733 -9.876 -10.413 1.00 0.00 O ATOM 0 H GLY A 129 1.286 -7.902 -9.774 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -0.454 -8.167 -7.645 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -1.528 -7.727 -8.958 1.00 0.00 H new ATOM 1460 N ARG A 130 -0.259 -10.554 -8.376 1.00 0.00 N ATOM 1461 CA ARG A 130 -0.217 -11.984 -8.799 1.00 0.00 C ATOM 1462 C ARG A 130 -1.076 -12.824 -7.850 1.00 0.00 C ATOM 1463 O ARG A 130 -1.328 -12.438 -6.726 1.00 0.00 O ATOM 1464 CB ARG A 130 1.254 -12.390 -8.694 1.00 0.00 C ATOM 1465 CG ARG A 130 1.417 -13.847 -9.132 1.00 0.00 C ATOM 1466 CD ARG A 130 2.833 -14.325 -8.797 1.00 0.00 C ATOM 1467 NE ARG A 130 2.886 -15.740 -9.260 1.00 0.00 N ATOM 1468 CZ ARG A 130 3.948 -16.464 -9.027 1.00 0.00 C ATOM 1469 NH1 ARG A 130 4.813 -16.082 -8.127 1.00 0.00 N ATOM 1470 NH2 ARG A 130 4.144 -17.567 -9.697 1.00 0.00 N ATOM 0 H ARG A 130 -0.073 -10.391 -7.386 1.00 0.00 H new ATOM 0 HA ARG A 130 -0.603 -12.134 -9.807 1.00 0.00 H new ATOM 0 HB2 ARG A 130 1.866 -11.741 -9.320 1.00 0.00 H new ATOM 0 HB3 ARG A 130 1.603 -12.267 -7.669 1.00 0.00 H new ATOM 0 HG2 ARG A 130 0.681 -14.474 -8.628 1.00 0.00 H new ATOM 0 HG3 ARG A 130 1.234 -13.939 -10.203 1.00 0.00 H new ATOM 0 HD2 ARG A 130 3.584 -13.717 -9.302 1.00 0.00 H new ATOM 0 HD3 ARG A 130 3.031 -14.253 -7.727 1.00 0.00 H new ATOM 0 HE ARG A 130 2.093 -16.143 -9.759 1.00 0.00 H new ATOM 0 HH11 ARG A 130 4.659 -15.219 -7.606 1.00 0.00 H new ATOM 0 HH12 ARG A 130 5.642 -16.647 -7.945 1.00 0.00 H new ATOM 0 HH21 ARG A 130 3.468 -17.863 -10.402 1.00 0.00 H new ATOM 0 HH22 ARG A 130 4.973 -18.133 -9.516 1.00 0.00 H new ATOM 1484 N LYS A 131 -1.528 -13.966 -8.288 1.00 0.00 N ATOM 1485 CA LYS A 131 -2.370 -14.820 -7.402 1.00 0.00 C ATOM 1486 C LYS A 131 -1.585 -15.214 -6.150 1.00 0.00 C ATOM 1487 O LYS A 131 -0.806 -16.149 -6.235 1.00 0.00 O ATOM 1488 CB LYS A 131 -2.701 -16.057 -8.237 1.00 0.00 C ATOM 1489 CG LYS A 131 -3.490 -15.641 -9.480 1.00 0.00 C ATOM 1490 CD LYS A 131 -3.762 -16.873 -10.346 1.00 0.00 C ATOM 1491 CE LYS A 131 -4.510 -17.924 -9.521 1.00 0.00 C ATOM 1492 NZ LYS A 131 -4.826 -19.020 -10.481 1.00 0.00 N ATOM 1493 OXT LYS A 131 -1.774 -14.573 -5.129 1.00 0.00 O ATOM 0 H LYS A 131 -1.352 -14.345 -9.219 1.00 0.00 H new ATOM 0 HA LYS A 131 -3.269 -14.304 -7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -1.783 -16.567 -8.530 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -3.282 -16.763 -7.644 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -4.430 -15.174 -9.188 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -2.929 -14.900 -10.049 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -4.352 -16.594 -11.219 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -2.823 -17.286 -10.715 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -3.897 -18.287 -8.696 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -5.418 -17.509 -9.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -5.339 -19.777 -9.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -5.417 -18.647 -11.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -3.943 -19.401 -10.876 1.00 0.00 H new