USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=23 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 118 THR OG1 : rot -153:sc= -1.47! USER MOD Set 1.2: A 123 HIS : no HD1:sc= -17.3! C(o=-19!,f=-25!) USER MOD Set 2.1: A 45 CYS SG : rot 42:sc= -1.17 USER MOD Set 2.2: A 122 TYR OH : rot 23:sc= 0.645 USER MOD Single : A 36 ASN :FLIP amide:sc= -2.66 F(o=-5.1!,f=-2.7) USER MOD Single : A 39 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.155) USER MOD Single : A 42 HIS :FLIP no HE2:sc= -1.31 F(o=-2.5,f=-1.3) USER MOD Single : A 47 LYS NZ :NH3+ -157:sc= -0.257 (180deg=-1.75!) USER MOD Single : A 48 HIS : no HE2:sc= -8.71! C(o=-8.7!,f=-15!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -158:sc= -0.107 (180deg=-0.734) USER MOD Single : A 55 MET CE :methyl -157:sc= -0.231 (180deg=-1.52!) USER MOD Single : A 57 LYS NZ :NH3+ -134:sc= -0.319 (180deg=-0.596) USER MOD Single : A 59 LYS NZ :NH3+ -156:sc= -0.681 (180deg=-2.51!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -105:sc= -5.84! (180deg=-10.6!) USER MOD Single : A 65 ASN : amide:sc= -1.34! C(o=-1.3!,f=-12!) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.982 F(o=-2.3!,f=-0.98) USER MOD Single : A 71 TYR OH : rot 165:sc= 0 USER MOD Single : A 72 SER OG : rot 95:sc= 0.604 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0.365 K(o=0.36,f=-1.4) USER MOD Single : A 85 MET CE :methyl 140:sc= 0 (180deg=-0.0302) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0196 USER MOD Single : A 89 SER OG : rot -142:sc= -0.86 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -1.2! C(o=-1.2!,f=-11!) USER MOD Single : A 112 THR OG1 : rot 33:sc= 0.535 USER MOD Single : A 117 LYS NZ :NH3+ 146:sc= -0.374 (180deg=-1.93!) USER MOD Single : A 119 LYS NZ :NH3+ -157:sc= -0.0978 (180deg=-1.06) USER MOD Single : A 126 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 36 0.108 -17.954 -12.499 1.00 0.00 N ATOM 2 CA ASN A 36 -0.237 -17.910 -13.949 1.00 0.00 C ATOM 3 C ASN A 36 -1.144 -16.709 -14.230 1.00 0.00 C ATOM 4 O ASN A 36 -1.454 -16.401 -15.365 1.00 0.00 O ATOM 5 CB ASN A 36 -0.968 -19.223 -14.227 1.00 0.00 C ATOM 6 CG ASN A 36 -1.315 -19.308 -15.714 1.00 0.00 C ATOM 7 OD1 ASN A 36 -2.263 -18.551 -16.193 1.00 0.00 O flip ATOM 8 ND2 ASN A 36 -0.714 -20.068 -16.447 1.00 0.00 N flip ATOM 0 HA ASN A 36 0.642 -17.801 -14.585 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.342 -20.068 -13.940 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.876 -19.280 -13.627 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.027 -20.660 -16.071 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.951 -20.115 -17.438 1.00 0.00 H new ATOM 15 N ALA A 37 -1.561 -16.022 -13.202 1.00 0.00 N ATOM 16 CA ALA A 37 -2.433 -14.832 -13.393 1.00 0.00 C ATOM 17 C ALA A 37 -1.635 -13.569 -13.073 1.00 0.00 C ATOM 18 O ALA A 37 -0.666 -13.608 -12.342 1.00 0.00 O ATOM 19 CB ALA A 37 -3.580 -15.015 -12.397 1.00 0.00 C ATOM 0 H ALA A 37 -1.332 -16.237 -12.231 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.803 -14.736 -14.414 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.269 -14.174 -12.477 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.110 -15.941 -12.619 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.179 -15.060 -11.384 1.00 0.00 H new ATOM 25 N VAL A 38 -2.018 -12.452 -13.620 1.00 0.00 N ATOM 26 CA VAL A 38 -1.258 -11.201 -13.344 1.00 0.00 C ATOM 27 C VAL A 38 -2.213 -10.019 -13.181 1.00 0.00 C ATOM 28 O VAL A 38 -3.320 -10.027 -13.681 1.00 0.00 O ATOM 29 CB VAL A 38 -0.373 -11.017 -14.576 1.00 0.00 C ATOM 30 CG1 VAL A 38 -1.249 -10.976 -15.828 1.00 0.00 C ATOM 31 CG2 VAL A 38 0.414 -9.706 -14.460 1.00 0.00 C ATOM 0 H VAL A 38 -2.819 -12.349 -14.243 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.679 -11.257 -12.422 1.00 0.00 H new ATOM 0 HB VAL A 38 0.326 -11.850 -14.645 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.620 -10.845 -16.708 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.804 -11.910 -15.915 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.949 -10.144 -15.755 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.043 -9.580 -15.341 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.281 -8.870 -14.388 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.040 -9.735 -13.568 1.00 0.00 H new ATOM 41 N LYS A 39 -1.786 -8.992 -12.499 1.00 0.00 N ATOM 42 CA LYS A 39 -2.662 -7.798 -12.322 1.00 0.00 C ATOM 43 C LYS A 39 -2.241 -6.717 -13.317 1.00 0.00 C ATOM 44 O LYS A 39 -1.085 -6.351 -13.392 1.00 0.00 O ATOM 45 CB LYS A 39 -2.432 -7.336 -10.883 1.00 0.00 C ATOM 46 CG LYS A 39 -3.449 -8.011 -9.963 1.00 0.00 C ATOM 47 CD LYS A 39 -3.262 -9.528 -10.023 1.00 0.00 C ATOM 48 CE LYS A 39 -1.887 -9.897 -9.461 1.00 0.00 C ATOM 49 NZ LYS A 39 -1.738 -11.354 -9.726 1.00 0.00 N ATOM 0 H LYS A 39 -0.869 -8.927 -12.057 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.715 -8.015 -12.500 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.419 -7.585 -10.567 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.529 -6.252 -10.818 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.320 -7.658 -8.940 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.462 -7.746 -10.266 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.046 -10.024 -9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.351 -9.875 -11.052 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.096 -9.325 -9.947 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.827 -9.682 -8.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.756 -11.642 -9.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.378 -11.887 -9.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.976 -11.552 -10.719 1.00 0.00 H new ATOM 63 N VAL A 40 -3.157 -6.219 -14.100 1.00 0.00 N ATOM 64 CA VAL A 40 -2.776 -5.182 -15.104 1.00 0.00 C ATOM 65 C VAL A 40 -3.630 -3.916 -14.959 1.00 0.00 C ATOM 66 O VAL A 40 -4.815 -3.922 -15.219 1.00 0.00 O ATOM 67 CB VAL A 40 -3.034 -5.846 -16.456 1.00 0.00 C ATOM 68 CG1 VAL A 40 -3.010 -4.790 -17.561 1.00 0.00 C ATOM 69 CG2 VAL A 40 -1.948 -6.891 -16.726 1.00 0.00 C ATOM 0 H VAL A 40 -4.143 -6.480 -14.091 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.742 -4.862 -14.980 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.011 -6.330 -16.440 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.194 -5.267 -18.524 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.784 -4.046 -17.370 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.035 -4.303 -17.578 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.131 -7.365 -17.690 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.972 -6.406 -16.740 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.967 -7.647 -15.941 1.00 0.00 H new ATOM 79 N ARG A 41 -3.024 -2.824 -14.570 1.00 0.00 N ATOM 80 CA ARG A 41 -3.788 -1.549 -14.436 1.00 0.00 C ATOM 81 C ARG A 41 -3.269 -0.550 -15.476 1.00 0.00 C ATOM 82 O ARG A 41 -2.120 -0.159 -15.447 1.00 0.00 O ATOM 83 CB ARG A 41 -3.504 -1.058 -13.015 1.00 0.00 C ATOM 84 CG ARG A 41 -3.978 -2.109 -12.008 1.00 0.00 C ATOM 85 CD ARG A 41 -4.269 -1.442 -10.662 1.00 0.00 C ATOM 86 NE ARG A 41 -5.754 -1.347 -10.594 1.00 0.00 N ATOM 87 CZ ARG A 41 -6.319 -0.598 -9.688 1.00 0.00 C ATOM 88 NH1 ARG A 41 -6.287 -0.954 -8.433 1.00 0.00 N ATOM 89 NH2 ARG A 41 -6.918 0.508 -10.037 1.00 0.00 N ATOM 0 H ARG A 41 -2.032 -2.761 -14.339 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.858 -1.671 -14.602 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.437 -0.873 -12.889 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.015 -0.112 -12.837 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.875 -2.604 -12.380 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.216 -2.879 -11.886 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.873 -2.031 -9.835 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.807 -0.457 -10.601 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.329 -1.868 -11.256 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.820 -1.819 -8.160 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.729 -0.368 -7.725 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.944 0.786 -11.018 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.360 1.094 -9.329 1.00 0.00 H new ATOM 103 N HIS A 42 -4.090 -0.155 -16.415 1.00 0.00 N ATOM 104 CA HIS A 42 -3.602 0.790 -17.464 1.00 0.00 C ATOM 105 C HIS A 42 -4.634 1.877 -17.781 1.00 0.00 C ATOM 106 O HIS A 42 -5.817 1.716 -17.555 1.00 0.00 O ATOM 107 CB HIS A 42 -3.393 -0.087 -18.707 1.00 0.00 C ATOM 108 CG HIS A 42 -4.713 -0.310 -19.415 1.00 0.00 C ATOM 109 ND1 HIS A 42 -5.834 -1.021 -19.065 1.00 0.00 N flip ATOM 110 CD2 HIS A 42 -4.997 0.258 -20.650 1.00 0.00 C flip ATOM 111 CE1 HIS A 42 -6.801 -0.898 -20.061 1.00 0.00 C flip ATOM 112 NE2 HIS A 42 -6.247 -0.118 -20.994 1.00 0.00 N flip ATOM 0 H HIS A 42 -5.065 -0.441 -16.501 1.00 0.00 H new ATOM 0 HA HIS A 42 -2.700 1.306 -17.136 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.685 0.391 -19.384 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.961 -1.045 -18.417 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -5.943 -1.559 -18.205 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.337 0.887 -21.230 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -7.787 -1.339 -20.076 1.00 0.00 H new ATOM 120 N ILE A 43 -4.193 2.953 -18.372 1.00 0.00 N ATOM 121 CA ILE A 43 -5.144 4.018 -18.783 1.00 0.00 C ATOM 122 C ILE A 43 -5.081 4.126 -20.311 1.00 0.00 C ATOM 123 O ILE A 43 -4.018 4.268 -20.899 1.00 0.00 O ATOM 124 CB ILE A 43 -4.697 5.311 -18.084 1.00 0.00 C ATOM 125 CG1 ILE A 43 -3.258 5.660 -18.456 1.00 0.00 C ATOM 126 CG2 ILE A 43 -4.785 5.120 -16.569 1.00 0.00 C ATOM 127 CD1 ILE A 43 -2.981 7.124 -18.105 1.00 0.00 C ATOM 0 H ILE A 43 -3.213 3.139 -18.587 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.176 3.811 -18.502 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.350 6.122 -18.405 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.565 5.010 -17.922 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.096 5.493 -19.521 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.469 6.035 -16.068 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.813 4.891 -16.290 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.135 4.298 -16.268 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.954 7.374 -18.370 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.665 7.767 -18.659 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.126 7.276 -17.035 1.00 0.00 H new ATOM 139 N LEU A 44 -6.212 3.995 -20.955 1.00 0.00 N ATOM 140 CA LEU A 44 -6.249 4.029 -22.446 1.00 0.00 C ATOM 141 C LEU A 44 -6.887 5.323 -22.950 1.00 0.00 C ATOM 142 O LEU A 44 -7.957 5.706 -22.522 1.00 0.00 O ATOM 143 CB LEU A 44 -7.124 2.832 -22.820 1.00 0.00 C ATOM 144 CG LEU A 44 -6.980 2.527 -24.309 1.00 0.00 C ATOM 145 CD1 LEU A 44 -7.576 1.150 -24.609 1.00 0.00 C ATOM 146 CD2 LEU A 44 -7.725 3.579 -25.124 1.00 0.00 C ATOM 0 H LEU A 44 -7.119 3.865 -20.507 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.252 3.986 -22.885 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.834 1.961 -22.232 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.166 3.044 -22.583 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.923 2.538 -24.575 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.473 0.933 -25.672 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.048 0.391 -24.031 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.632 1.144 -24.338 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.620 3.358 -26.186 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.781 3.568 -24.854 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.307 4.564 -24.915 1.00 0.00 H new ATOM 158 N CYS A 45 -6.242 5.998 -23.861 1.00 0.00 N ATOM 159 CA CYS A 45 -6.823 7.261 -24.391 1.00 0.00 C ATOM 160 C CYS A 45 -6.533 7.382 -25.890 1.00 0.00 C ATOM 161 O CYS A 45 -5.701 6.680 -26.426 1.00 0.00 O ATOM 162 CB CYS A 45 -6.121 8.367 -23.608 1.00 0.00 C ATOM 163 SG CYS A 45 -6.585 9.978 -24.289 1.00 0.00 S ATOM 0 H CYS A 45 -5.342 5.730 -24.259 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.906 7.308 -24.277 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.397 8.313 -22.555 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.040 8.235 -23.662 1.00 0.00 H new ATOM 0 HG CYS A 45 -7.858 9.987 -24.553 1.00 0.00 H new ATOM 169 N GLU A 46 -7.208 8.269 -26.571 1.00 0.00 N ATOM 170 CA GLU A 46 -6.958 8.424 -28.033 1.00 0.00 C ATOM 171 C GLU A 46 -5.563 9.030 -28.252 1.00 0.00 C ATOM 172 O GLU A 46 -5.028 9.690 -27.390 1.00 0.00 O ATOM 173 CB GLU A 46 -8.065 9.353 -28.526 1.00 0.00 C ATOM 174 CG GLU A 46 -9.427 8.710 -28.258 1.00 0.00 C ATOM 175 CD GLU A 46 -10.536 9.726 -28.536 1.00 0.00 C ATOM 176 OE1 GLU A 46 -10.241 10.749 -29.133 1.00 0.00 O ATOM 177 OE2 GLU A 46 -11.663 9.465 -28.148 1.00 0.00 O ATOM 0 H GLU A 46 -7.917 8.889 -26.181 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.974 7.478 -28.575 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.999 10.316 -28.019 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.945 9.545 -29.592 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.557 7.832 -28.891 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.483 8.369 -27.224 1.00 0.00 H new ATOM 184 N LYS A 47 -4.952 8.782 -29.379 1.00 0.00 N ATOM 185 CA LYS A 47 -3.572 9.315 -29.605 1.00 0.00 C ATOM 186 C LYS A 47 -3.570 10.728 -30.203 1.00 0.00 C ATOM 187 O LYS A 47 -4.006 10.948 -31.315 1.00 0.00 O ATOM 188 CB LYS A 47 -2.931 8.331 -30.584 1.00 0.00 C ATOM 189 CG LYS A 47 -1.488 8.760 -30.867 1.00 0.00 C ATOM 190 CD LYS A 47 -1.058 8.234 -32.238 1.00 0.00 C ATOM 191 CE LYS A 47 0.412 8.583 -32.481 1.00 0.00 C ATOM 192 NZ LYS A 47 0.526 10.029 -32.142 1.00 0.00 N ATOM 0 H LYS A 47 -5.342 8.238 -30.149 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.033 9.400 -28.661 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.947 7.324 -30.167 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.502 8.301 -31.512 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.409 9.847 -30.842 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.824 8.374 -30.093 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.199 7.154 -32.286 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.680 8.671 -33.019 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.070 7.978 -31.857 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.696 8.397 -33.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.350 10.436 -32.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.336 10.526 -32.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.644 10.136 -31.114 1.00 0.00 H new ATOM 206 N HIS A 48 -3.046 11.680 -29.473 1.00 0.00 N ATOM 207 CA HIS A 48 -2.964 13.082 -29.988 1.00 0.00 C ATOM 208 C HIS A 48 -1.549 13.617 -29.771 1.00 0.00 C ATOM 209 O HIS A 48 -1.285 14.792 -29.929 1.00 0.00 O ATOM 210 CB HIS A 48 -3.947 13.892 -29.150 1.00 0.00 C ATOM 211 CG HIS A 48 -5.236 13.146 -29.036 1.00 0.00 C ATOM 212 ND1 HIS A 48 -5.700 12.323 -30.044 1.00 0.00 N ATOM 213 CD2 HIS A 48 -6.165 13.081 -28.036 1.00 0.00 C ATOM 214 CE1 HIS A 48 -6.862 11.798 -29.629 1.00 0.00 C ATOM 215 NE2 HIS A 48 -7.195 12.229 -28.411 1.00 0.00 N ATOM 0 H HIS A 48 -2.668 11.545 -28.535 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.196 13.139 -31.051 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -3.532 14.075 -28.159 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.117 14.866 -29.610 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -5.243 12.147 -30.939 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.107 13.612 -27.097 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.457 11.109 -30.211 1.00 0.00 H new ATOM 223 N GLY A 49 -0.644 12.763 -29.376 1.00 0.00 N ATOM 224 CA GLY A 49 0.747 13.217 -29.112 1.00 0.00 C ATOM 225 C GLY A 49 0.900 13.452 -27.607 1.00 0.00 C ATOM 226 O GLY A 49 1.847 14.066 -27.155 1.00 0.00 O ATOM 0 H GLY A 49 -0.811 11.768 -29.225 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.462 12.468 -29.454 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.958 14.134 -29.663 1.00 0.00 H new ATOM 230 N LYS A 50 -0.035 12.967 -26.829 1.00 0.00 N ATOM 231 CA LYS A 50 0.039 13.158 -25.353 1.00 0.00 C ATOM 232 C LYS A 50 0.833 12.021 -24.708 1.00 0.00 C ATOM 233 O LYS A 50 0.876 11.890 -23.504 1.00 0.00 O ATOM 234 CB LYS A 50 -1.414 13.121 -24.876 1.00 0.00 C ATOM 235 CG LYS A 50 -2.152 14.371 -25.361 1.00 0.00 C ATOM 236 CD LYS A 50 -3.605 14.330 -24.878 1.00 0.00 C ATOM 237 CE LYS A 50 -4.209 15.735 -24.950 1.00 0.00 C ATOM 238 NZ LYS A 50 -4.371 16.161 -23.533 1.00 0.00 N ATOM 0 H LYS A 50 -0.848 12.446 -27.156 1.00 0.00 H new ATOM 0 HA LYS A 50 0.538 14.089 -25.086 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.908 12.226 -25.255 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.448 13.067 -23.788 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.658 15.266 -24.984 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.121 14.424 -26.449 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.184 13.642 -25.494 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.649 13.956 -23.855 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.556 16.417 -25.494 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.166 15.726 -25.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.781 17.116 -23.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.003 15.497 -23.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.443 16.167 -23.064 1.00 0.00 H new ATOM 252 N ILE A 51 1.462 11.194 -25.494 1.00 0.00 N ATOM 253 CA ILE A 51 2.248 10.070 -24.907 1.00 0.00 C ATOM 254 C ILE A 51 3.160 10.594 -23.793 1.00 0.00 C ATOM 255 O ILE A 51 3.069 10.180 -22.651 1.00 0.00 O ATOM 256 CB ILE A 51 3.075 9.519 -26.072 1.00 0.00 C ATOM 257 CG1 ILE A 51 2.131 8.999 -27.159 1.00 0.00 C ATOM 258 CG2 ILE A 51 3.959 8.372 -25.574 1.00 0.00 C ATOM 259 CD1 ILE A 51 2.617 9.474 -28.530 1.00 0.00 C ATOM 0 H ILE A 51 1.467 11.245 -26.513 1.00 0.00 H new ATOM 0 HA ILE A 51 1.614 9.303 -24.462 1.00 0.00 H new ATOM 0 HB ILE A 51 3.704 10.310 -26.480 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.094 7.910 -27.132 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.118 9.357 -26.977 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.548 7.980 -26.403 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.628 8.740 -24.796 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.331 7.579 -25.168 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.944 9.103 -29.303 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.631 10.564 -28.554 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.622 9.094 -28.711 1.00 0.00 H new ATOM 271 N MET A 52 4.037 11.504 -24.117 1.00 0.00 N ATOM 272 CA MET A 52 4.959 12.058 -23.084 1.00 0.00 C ATOM 273 C MET A 52 4.190 12.916 -22.073 1.00 0.00 C ATOM 274 O MET A 52 4.585 13.049 -20.932 1.00 0.00 O ATOM 275 CB MET A 52 5.952 12.919 -23.865 1.00 0.00 C ATOM 276 CG MET A 52 6.651 12.066 -24.923 1.00 0.00 C ATOM 277 SD MET A 52 7.978 13.027 -25.691 1.00 0.00 S ATOM 278 CE MET A 52 6.924 14.183 -26.599 1.00 0.00 C ATOM 0 H MET A 52 4.156 11.889 -25.054 1.00 0.00 H new ATOM 0 HA MET A 52 5.452 11.271 -22.514 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.432 13.751 -24.340 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.688 13.349 -23.186 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.058 11.163 -24.467 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.934 11.746 -25.679 1.00 0.00 H new ATOM 0 HE1 MET A 52 7.484 14.610 -27.431 1.00 0.00 H new ATOM 0 HE2 MET A 52 6.051 13.655 -26.983 1.00 0.00 H new ATOM 0 HE3 MET A 52 6.601 14.982 -25.932 1.00 0.00 H new ATOM 288 N GLU A 53 3.100 13.508 -22.482 1.00 0.00 N ATOM 289 CA GLU A 53 2.319 14.366 -21.543 1.00 0.00 C ATOM 290 C GLU A 53 1.556 13.507 -20.528 1.00 0.00 C ATOM 291 O GLU A 53 1.502 13.818 -19.355 1.00 0.00 O ATOM 292 CB GLU A 53 1.340 15.135 -22.432 1.00 0.00 C ATOM 293 CG GLU A 53 2.103 16.177 -23.250 1.00 0.00 C ATOM 294 CD GLU A 53 2.597 17.290 -22.324 1.00 0.00 C ATOM 295 OE1 GLU A 53 1.839 17.693 -21.457 1.00 0.00 O ATOM 296 OE2 GLU A 53 3.725 17.721 -22.498 1.00 0.00 O ATOM 0 H GLU A 53 2.717 13.435 -23.424 1.00 0.00 H new ATOM 0 HA GLU A 53 2.964 15.030 -20.968 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.818 14.446 -23.097 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.582 15.622 -21.819 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.947 15.710 -23.757 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.457 16.593 -24.023 1.00 0.00 H new ATOM 303 N ALA A 54 0.961 12.437 -20.972 1.00 0.00 N ATOM 304 CA ALA A 54 0.195 11.565 -20.037 1.00 0.00 C ATOM 305 C ALA A 54 1.131 10.937 -19.001 1.00 0.00 C ATOM 306 O ALA A 54 0.849 10.940 -17.819 1.00 0.00 O ATOM 307 CB ALA A 54 -0.427 10.485 -20.922 1.00 0.00 C ATOM 0 H ALA A 54 0.971 12.127 -21.944 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.559 12.123 -19.481 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.010 9.800 -20.306 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.078 10.951 -21.661 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.363 9.932 -21.431 1.00 0.00 H new ATOM 313 N MET A 55 2.238 10.393 -19.429 1.00 0.00 N ATOM 314 CA MET A 55 3.176 9.762 -18.452 1.00 0.00 C ATOM 315 C MET A 55 3.728 10.815 -17.481 1.00 0.00 C ATOM 316 O MET A 55 3.764 10.613 -16.276 1.00 0.00 O ATOM 317 CB MET A 55 4.292 9.157 -19.309 1.00 0.00 C ATOM 318 CG MET A 55 5.184 10.268 -19.865 1.00 0.00 C ATOM 319 SD MET A 55 6.402 9.556 -20.997 1.00 0.00 S ATOM 320 CE MET A 55 7.238 8.497 -19.792 1.00 0.00 C ATOM 0 H MET A 55 2.533 10.357 -20.405 1.00 0.00 H new ATOM 0 HA MET A 55 2.688 9.006 -17.837 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.887 8.466 -18.712 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.861 8.581 -20.128 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.578 11.009 -20.386 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.689 10.786 -19.049 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.247 8.277 -20.139 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.289 9.009 -18.831 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.682 7.566 -19.678 1.00 0.00 H new ATOM 330 N GLU A 56 4.153 11.938 -17.987 1.00 0.00 N ATOM 331 CA GLU A 56 4.697 12.996 -17.094 1.00 0.00 C ATOM 332 C GLU A 56 3.661 13.376 -16.035 1.00 0.00 C ATOM 333 O GLU A 56 3.996 13.710 -14.915 1.00 0.00 O ATOM 334 CB GLU A 56 4.983 14.180 -18.014 1.00 0.00 C ATOM 335 CG GLU A 56 5.605 15.317 -17.203 1.00 0.00 C ATOM 336 CD GLU A 56 5.721 16.564 -18.081 1.00 0.00 C ATOM 337 OE1 GLU A 56 5.494 16.446 -19.275 1.00 0.00 O ATOM 338 OE2 GLU A 56 6.035 17.614 -17.547 1.00 0.00 O ATOM 0 H GLU A 56 4.147 12.169 -18.981 1.00 0.00 H new ATOM 0 HA GLU A 56 5.590 12.669 -16.561 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.659 13.878 -18.814 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.061 14.518 -18.486 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.992 15.531 -16.327 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.589 15.022 -16.839 1.00 0.00 H new ATOM 345 N LYS A 57 2.405 13.330 -16.381 1.00 0.00 N ATOM 346 CA LYS A 57 1.349 13.691 -15.394 1.00 0.00 C ATOM 347 C LYS A 57 1.113 12.543 -14.408 1.00 0.00 C ATOM 348 O LYS A 57 0.710 12.760 -13.282 1.00 0.00 O ATOM 349 CB LYS A 57 0.092 13.944 -16.227 1.00 0.00 C ATOM 350 CG LYS A 57 -1.059 14.332 -15.297 1.00 0.00 C ATOM 351 CD LYS A 57 -2.231 14.860 -16.123 1.00 0.00 C ATOM 352 CE LYS A 57 -3.216 15.580 -15.201 1.00 0.00 C ATOM 353 NZ LYS A 57 -4.474 15.690 -15.990 1.00 0.00 N ATOM 0 H LYS A 57 2.064 13.058 -17.303 1.00 0.00 H new ATOM 0 HA LYS A 57 1.630 14.561 -14.801 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.275 14.739 -16.950 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.169 13.051 -16.794 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.374 13.468 -14.712 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.728 15.092 -14.590 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.870 15.543 -16.892 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.730 14.037 -16.635 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.376 15.020 -14.280 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.842 16.563 -14.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.852 16.655 -15.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.277 15.480 -16.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.173 15.012 -15.625 1.00 0.00 H new ATOM 367 N LEU A 58 1.356 11.323 -14.810 1.00 0.00 N ATOM 368 CA LEU A 58 1.132 10.189 -13.868 1.00 0.00 C ATOM 369 C LEU A 58 2.467 9.660 -13.335 1.00 0.00 C ATOM 370 O LEU A 58 2.537 8.582 -12.784 1.00 0.00 O ATOM 371 CB LEU A 58 0.371 9.120 -14.668 1.00 0.00 C ATOM 372 CG LEU A 58 1.337 8.222 -15.446 1.00 0.00 C ATOM 373 CD1 LEU A 58 1.717 7.015 -14.587 1.00 0.00 C ATOM 374 CD2 LEU A 58 0.647 7.729 -16.720 1.00 0.00 C ATOM 0 H LEU A 58 1.695 11.065 -15.737 1.00 0.00 H new ATOM 0 HA LEU A 58 0.559 10.494 -12.993 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.229 8.513 -13.990 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.319 9.602 -15.360 1.00 0.00 H new ATOM 0 HG LEU A 58 2.234 8.787 -15.701 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.405 6.376 -15.141 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.198 7.357 -13.671 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.819 6.450 -14.336 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.329 7.089 -17.279 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.246 7.163 -16.454 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.365 8.584 -17.335 1.00 0.00 H new ATOM 386 N LYS A 59 3.522 10.422 -13.485 1.00 0.00 N ATOM 387 CA LYS A 59 4.855 9.979 -12.969 1.00 0.00 C ATOM 388 C LYS A 59 4.742 9.535 -11.498 1.00 0.00 C ATOM 389 O LYS A 59 3.675 9.255 -10.999 1.00 0.00 O ATOM 390 CB LYS A 59 5.751 11.217 -13.077 1.00 0.00 C ATOM 391 CG LYS A 59 6.324 11.324 -14.491 1.00 0.00 C ATOM 392 CD LYS A 59 7.321 12.488 -14.545 1.00 0.00 C ATOM 393 CE LYS A 59 8.080 12.468 -15.876 1.00 0.00 C ATOM 394 NZ LYS A 59 8.428 11.039 -16.108 1.00 0.00 N ATOM 0 H LYS A 59 3.518 11.333 -13.943 1.00 0.00 H new ATOM 0 HA LYS A 59 5.249 9.131 -13.529 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.178 12.113 -12.839 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.561 11.154 -12.351 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.819 10.393 -14.767 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.521 11.484 -15.210 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.793 13.435 -14.432 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.024 12.414 -13.715 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.464 12.859 -16.686 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.975 13.088 -15.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.256 10.981 -16.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.649 10.584 -15.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.623 10.553 -16.552 1.00 0.00 H new ATOM 408 N SER A 60 5.840 9.469 -10.797 1.00 0.00 N ATOM 409 CA SER A 60 5.782 9.040 -9.367 1.00 0.00 C ATOM 410 C SER A 60 5.512 10.236 -8.447 1.00 0.00 C ATOM 411 O SER A 60 5.826 11.365 -8.768 1.00 0.00 O ATOM 412 CB SER A 60 7.159 8.448 -9.076 1.00 0.00 C ATOM 413 OG SER A 60 7.308 7.231 -9.795 1.00 0.00 O ATOM 0 H SER A 60 6.771 9.692 -11.148 1.00 0.00 H new ATOM 0 HA SER A 60 4.978 8.325 -9.192 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.939 9.152 -9.365 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.272 8.268 -8.007 1.00 0.00 H new ATOM 0 HG SER A 60 8.192 6.849 -9.612 1.00 0.00 H new ATOM 419 N GLY A 61 4.941 9.989 -7.297 1.00 0.00 N ATOM 420 CA GLY A 61 4.660 11.100 -6.341 1.00 0.00 C ATOM 421 C GLY A 61 3.296 11.726 -6.644 1.00 0.00 C ATOM 422 O GLY A 61 2.840 12.607 -5.943 1.00 0.00 O ATOM 0 H GLY A 61 4.657 9.063 -6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.676 10.722 -5.319 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.440 11.858 -6.413 1.00 0.00 H new ATOM 426 N MET A 62 2.641 11.285 -7.682 1.00 0.00 N ATOM 427 CA MET A 62 1.307 11.871 -8.017 1.00 0.00 C ATOM 428 C MET A 62 0.198 10.833 -7.846 1.00 0.00 C ATOM 429 O MET A 62 0.402 9.771 -7.290 1.00 0.00 O ATOM 430 CB MET A 62 1.399 12.338 -9.480 1.00 0.00 C ATOM 431 CG MET A 62 1.944 11.225 -10.383 1.00 0.00 C ATOM 432 SD MET A 62 0.692 9.934 -10.609 1.00 0.00 S ATOM 433 CE MET A 62 1.522 8.638 -9.657 1.00 0.00 C ATOM 0 H MET A 62 2.966 10.550 -8.310 1.00 0.00 H new ATOM 0 HA MET A 62 1.062 12.700 -7.353 1.00 0.00 H new ATOM 0 HB2 MET A 62 0.413 12.644 -9.830 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.046 13.213 -9.545 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.229 11.638 -11.350 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.844 10.796 -9.942 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.952 7.905 -10.339 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.314 9.081 -9.053 1.00 0.00 H new ATOM 0 HE3 MET A 62 0.800 8.147 -9.005 1.00 0.00 H new ATOM 443 N ARG A 63 -0.979 11.136 -8.324 1.00 0.00 N ATOM 444 CA ARG A 63 -2.111 10.177 -8.195 1.00 0.00 C ATOM 445 C ARG A 63 -2.245 9.339 -9.464 1.00 0.00 C ATOM 446 O ARG A 63 -2.878 9.744 -10.419 1.00 0.00 O ATOM 447 CB ARG A 63 -3.352 11.049 -8.030 1.00 0.00 C ATOM 448 CG ARG A 63 -3.546 11.406 -6.558 1.00 0.00 C ATOM 449 CD ARG A 63 -4.466 12.622 -6.457 1.00 0.00 C ATOM 450 NE ARG A 63 -3.554 13.781 -6.247 1.00 0.00 N ATOM 451 CZ ARG A 63 -4.041 14.936 -5.886 1.00 0.00 C ATOM 452 NH1 ARG A 63 -4.428 15.124 -4.654 1.00 0.00 N ATOM 453 NH2 ARG A 63 -4.139 15.905 -6.756 1.00 0.00 N ATOM 0 H ARG A 63 -1.205 12.010 -8.800 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.966 9.490 -7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.250 11.958 -8.623 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.230 10.522 -8.404 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.977 10.562 -6.020 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.584 11.622 -6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.058 12.745 -7.364 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.168 12.518 -5.630 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.549 13.671 -6.385 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.350 14.368 -3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.809 16.027 -4.371 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.835 15.759 -7.719 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.520 16.808 -6.473 1.00 0.00 H new ATOM 467 N PHE A 64 -1.670 8.173 -9.486 1.00 0.00 N ATOM 468 CA PHE A 64 -1.796 7.327 -10.704 1.00 0.00 C ATOM 469 C PHE A 64 -3.272 7.228 -11.095 1.00 0.00 C ATOM 470 O PHE A 64 -3.622 7.200 -12.261 1.00 0.00 O ATOM 471 CB PHE A 64 -1.251 5.953 -10.313 1.00 0.00 C ATOM 472 CG PHE A 64 -1.356 5.025 -11.499 1.00 0.00 C ATOM 473 CD1 PHE A 64 -2.524 4.281 -11.703 1.00 0.00 C ATOM 474 CD2 PHE A 64 -0.289 4.915 -12.399 1.00 0.00 C ATOM 475 CE1 PHE A 64 -2.624 3.426 -12.807 1.00 0.00 C ATOM 476 CE2 PHE A 64 -0.390 4.061 -13.504 1.00 0.00 C ATOM 477 CZ PHE A 64 -1.558 3.316 -13.707 1.00 0.00 C ATOM 0 H PHE A 64 -1.124 7.771 -8.724 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.252 7.737 -11.555 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.213 6.038 -9.992 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.813 5.551 -9.470 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.347 4.366 -11.009 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.612 5.489 -12.241 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.524 2.851 -12.964 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.432 3.977 -14.199 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.636 2.656 -14.558 1.00 0.00 H new ATOM 487 N ASN A 65 -4.141 7.189 -10.121 1.00 0.00 N ATOM 488 CA ASN A 65 -5.598 7.103 -10.418 1.00 0.00 C ATOM 489 C ASN A 65 -6.099 8.448 -10.949 1.00 0.00 C ATOM 490 O ASN A 65 -6.998 8.509 -11.763 1.00 0.00 O ATOM 491 CB ASN A 65 -6.260 6.774 -9.080 1.00 0.00 C ATOM 492 CG ASN A 65 -5.976 7.896 -8.080 1.00 0.00 C ATOM 493 OD1 ASN A 65 -4.873 8.403 -8.015 1.00 0.00 O ATOM 494 ND2 ASN A 65 -6.930 8.309 -7.292 1.00 0.00 N ATOM 0 H ASN A 65 -3.903 7.213 -9.130 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.825 6.352 -11.175 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.335 6.655 -9.214 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.880 5.827 -8.697 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.750 9.057 -6.622 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.856 7.884 -7.346 1.00 0.00 H new ATOM 501 N GLU A 66 -5.521 9.529 -10.495 1.00 0.00 N ATOM 502 CA GLU A 66 -5.964 10.864 -10.982 1.00 0.00 C ATOM 503 C GLU A 66 -5.804 10.935 -12.503 1.00 0.00 C ATOM 504 O GLU A 66 -6.711 11.318 -13.220 1.00 0.00 O ATOM 505 CB GLU A 66 -5.042 11.873 -10.295 1.00 0.00 C ATOM 506 CG GLU A 66 -5.362 13.283 -10.796 1.00 0.00 C ATOM 507 CD GLU A 66 -4.061 14.017 -11.128 1.00 0.00 C ATOM 508 OE1 GLU A 66 -3.138 13.932 -10.335 1.00 0.00 O ATOM 509 OE2 GLU A 66 -4.012 14.653 -12.168 1.00 0.00 O ATOM 0 H GLU A 66 -4.765 9.543 -9.811 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.011 11.063 -10.756 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.171 11.822 -9.214 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.000 11.630 -10.503 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.997 13.230 -11.680 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.918 13.832 -10.036 1.00 0.00 H new ATOM 516 N VAL A 67 -4.659 10.558 -13.004 1.00 0.00 N ATOM 517 CA VAL A 67 -4.446 10.596 -14.477 1.00 0.00 C ATOM 518 C VAL A 67 -5.416 9.636 -15.169 1.00 0.00 C ATOM 519 O VAL A 67 -6.126 10.007 -16.083 1.00 0.00 O ATOM 520 CB VAL A 67 -3.002 10.140 -14.694 1.00 0.00 C ATOM 521 CG1 VAL A 67 -2.688 10.170 -16.189 1.00 0.00 C ATOM 522 CG2 VAL A 67 -2.047 11.084 -13.960 1.00 0.00 C ATOM 0 H VAL A 67 -3.864 10.226 -12.458 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.620 11.590 -14.890 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.878 9.128 -14.308 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.660 9.846 -16.351 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.367 9.501 -16.717 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.813 11.185 -16.567 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.019 10.756 -14.117 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.168 12.096 -14.346 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.273 11.073 -12.894 1.00 0.00 H new ATOM 532 N ALA A 68 -5.453 8.402 -14.740 1.00 0.00 N ATOM 533 CA ALA A 68 -6.380 7.424 -15.378 1.00 0.00 C ATOM 534 C ALA A 68 -7.761 8.054 -15.566 1.00 0.00 C ATOM 535 O ALA A 68 -8.332 8.014 -16.639 1.00 0.00 O ATOM 536 CB ALA A 68 -6.452 6.249 -14.400 1.00 0.00 C ATOM 0 H ALA A 68 -4.884 8.031 -13.979 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.037 7.111 -16.364 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.118 5.484 -14.799 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.456 5.828 -14.263 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.834 6.597 -13.440 1.00 0.00 H new ATOM 542 N ALA A 69 -8.300 8.639 -14.533 1.00 0.00 N ATOM 543 CA ALA A 69 -9.643 9.275 -14.651 1.00 0.00 C ATOM 544 C ALA A 69 -9.645 10.313 -15.777 1.00 0.00 C ATOM 545 O ALA A 69 -10.580 10.405 -16.547 1.00 0.00 O ATOM 546 CB ALA A 69 -9.874 9.952 -13.301 1.00 0.00 C ATOM 0 H ALA A 69 -7.869 8.705 -13.611 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.423 8.551 -14.888 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.845 10.446 -13.303 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.850 9.203 -12.510 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.092 10.690 -13.126 1.00 0.00 H new ATOM 552 N GLN A 70 -8.608 11.102 -15.875 1.00 0.00 N ATOM 553 CA GLN A 70 -8.562 12.138 -16.949 1.00 0.00 C ATOM 554 C GLN A 70 -8.283 11.500 -18.317 1.00 0.00 C ATOM 555 O GLN A 70 -8.653 12.035 -19.343 1.00 0.00 O ATOM 556 CB GLN A 70 -7.419 13.072 -16.548 1.00 0.00 C ATOM 557 CG GLN A 70 -7.246 14.157 -17.613 1.00 0.00 C ATOM 558 CD GLN A 70 -8.500 15.033 -17.660 1.00 0.00 C ATOM 559 OE1 GLN A 70 -9.590 14.564 -18.203 1.00 0.00 O flip ATOM 560 NE2 GLN A 70 -8.486 16.158 -17.200 1.00 0.00 N flip ATOM 0 H GLN A 70 -7.794 11.075 -15.261 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.511 12.665 -17.044 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.631 13.528 -15.581 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.494 12.505 -16.438 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.372 14.767 -17.386 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.072 13.700 -18.587 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.634 16.525 -16.775 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.326 16.735 -17.238 1.00 0.00 H new ATOM 569 N TYR A 71 -7.635 10.364 -18.347 1.00 0.00 N ATOM 570 CA TYR A 71 -7.343 9.711 -19.660 1.00 0.00 C ATOM 571 C TYR A 71 -8.184 8.441 -19.826 1.00 0.00 C ATOM 572 O TYR A 71 -7.886 7.595 -20.646 1.00 0.00 O ATOM 573 CB TYR A 71 -5.860 9.344 -19.615 1.00 0.00 C ATOM 574 CG TYR A 71 -5.003 10.589 -19.568 1.00 0.00 C ATOM 575 CD1 TYR A 71 -5.429 11.770 -20.187 1.00 0.00 C ATOM 576 CD2 TYR A 71 -3.774 10.552 -18.902 1.00 0.00 C ATOM 577 CE1 TYR A 71 -4.624 12.915 -20.138 1.00 0.00 C ATOM 578 CE2 TYR A 71 -2.969 11.695 -18.852 1.00 0.00 C ATOM 579 CZ TYR A 71 -3.394 12.877 -19.470 1.00 0.00 C ATOM 580 OH TYR A 71 -2.599 14.005 -19.421 1.00 0.00 O ATOM 0 H TYR A 71 -7.297 9.862 -17.526 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.579 10.371 -20.495 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.660 8.725 -18.740 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.600 8.750 -20.492 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.378 11.798 -20.702 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.446 9.640 -18.426 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.952 13.827 -20.615 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.020 11.666 -18.337 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.910 13.890 -18.733 1.00 0.00 H new ATOM 590 N SER A 72 -9.224 8.292 -19.056 1.00 0.00 N ATOM 591 CA SER A 72 -10.064 7.070 -19.181 1.00 0.00 C ATOM 592 C SER A 72 -11.057 7.221 -20.336 1.00 0.00 C ATOM 593 O SER A 72 -12.112 7.804 -20.186 1.00 0.00 O ATOM 594 CB SER A 72 -10.806 6.959 -17.849 1.00 0.00 C ATOM 595 OG SER A 72 -11.557 5.752 -17.827 1.00 0.00 O ATOM 0 H SER A 72 -9.528 8.961 -18.348 1.00 0.00 H new ATOM 0 HA SER A 72 -9.467 6.182 -19.391 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.096 6.974 -17.022 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.468 7.815 -17.716 1.00 0.00 H new ATOM 0 HG SER A 72 -11.038 5.052 -17.378 1.00 0.00 H new ATOM 601 N GLU A 73 -10.736 6.688 -21.485 1.00 0.00 N ATOM 602 CA GLU A 73 -11.677 6.792 -22.636 1.00 0.00 C ATOM 603 C GLU A 73 -12.443 5.476 -22.786 1.00 0.00 C ATOM 604 O GLU A 73 -13.256 5.313 -23.673 1.00 0.00 O ATOM 605 CB GLU A 73 -10.796 7.051 -23.859 1.00 0.00 C ATOM 606 CG GLU A 73 -11.665 7.550 -25.017 1.00 0.00 C ATOM 607 CD GLU A 73 -11.638 6.533 -26.161 1.00 0.00 C ATOM 608 OE1 GLU A 73 -10.839 5.613 -26.095 1.00 0.00 O ATOM 609 OE2 GLU A 73 -12.417 6.693 -27.086 1.00 0.00 O ATOM 0 H GLU A 73 -9.868 6.188 -21.675 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.414 7.585 -22.505 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.031 7.790 -23.620 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.277 6.137 -24.147 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.689 7.701 -24.676 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.300 8.515 -25.368 1.00 0.00 H new ATOM 616 N ASP A 74 -12.187 4.537 -21.915 1.00 0.00 N ATOM 617 CA ASP A 74 -12.895 3.231 -21.991 1.00 0.00 C ATOM 618 C ASP A 74 -13.790 3.062 -20.762 1.00 0.00 C ATOM 619 O ASP A 74 -14.133 1.963 -20.374 1.00 0.00 O ATOM 620 CB ASP A 74 -11.781 2.181 -22.006 1.00 0.00 C ATOM 621 CG ASP A 74 -11.112 2.168 -23.382 1.00 0.00 C ATOM 622 OD1 ASP A 74 -10.221 2.974 -23.592 1.00 0.00 O ATOM 623 OD2 ASP A 74 -11.503 1.354 -24.202 1.00 0.00 O ATOM 0 H ASP A 74 -11.515 4.621 -21.152 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.537 3.146 -22.868 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.045 2.405 -21.234 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.191 1.197 -21.780 1.00 0.00 H new ATOM 628 N LYS A 75 -14.169 4.147 -20.144 1.00 0.00 N ATOM 629 CA LYS A 75 -15.041 4.058 -18.938 1.00 0.00 C ATOM 630 C LYS A 75 -16.326 3.296 -19.272 1.00 0.00 C ATOM 631 O LYS A 75 -16.852 2.560 -18.460 1.00 0.00 O ATOM 632 CB LYS A 75 -15.352 5.508 -18.569 1.00 0.00 C ATOM 633 CG LYS A 75 -16.093 5.551 -17.230 1.00 0.00 C ATOM 634 CD LYS A 75 -16.018 6.964 -16.650 1.00 0.00 C ATOM 635 CE LYS A 75 -16.222 6.907 -15.135 1.00 0.00 C ATOM 636 NZ LYS A 75 -16.128 8.321 -14.680 1.00 0.00 N ATOM 0 H LYS A 75 -13.912 5.094 -20.423 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.562 3.524 -18.117 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.428 6.083 -18.503 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -15.960 5.969 -19.347 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.134 5.258 -17.369 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -15.651 4.837 -16.535 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.051 7.412 -16.881 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.779 7.596 -17.106 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.191 6.475 -14.883 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.463 6.287 -14.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.258 8.363 -13.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.193 8.704 -14.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.867 8.885 -15.146 1.00 0.00 H new ATOM 650 N ALA A 76 -16.833 3.461 -20.464 1.00 0.00 N ATOM 651 CA ALA A 76 -18.079 2.741 -20.849 1.00 0.00 C ATOM 652 C ALA A 76 -17.898 1.235 -20.635 1.00 0.00 C ATOM 653 O ALA A 76 -18.796 0.547 -20.191 1.00 0.00 O ATOM 654 CB ALA A 76 -18.275 3.052 -22.335 1.00 0.00 C ATOM 0 H ALA A 76 -16.438 4.063 -21.187 1.00 0.00 H new ATOM 0 HA ALA A 76 -18.938 3.049 -20.254 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -19.176 2.555 -22.695 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -18.375 4.129 -22.471 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -17.414 2.693 -22.898 1.00 0.00 H new ATOM 660 N ARG A 77 -16.739 0.720 -20.945 1.00 0.00 N ATOM 661 CA ARG A 77 -16.492 -0.740 -20.757 1.00 0.00 C ATOM 662 C ARG A 77 -15.578 -0.961 -19.551 1.00 0.00 C ATOM 663 O ARG A 77 -15.889 -1.717 -18.651 1.00 0.00 O ATOM 664 CB ARG A 77 -15.798 -1.194 -22.042 1.00 0.00 C ATOM 665 CG ARG A 77 -16.819 -1.274 -23.177 1.00 0.00 C ATOM 666 CD ARG A 77 -16.740 -0.002 -24.024 1.00 0.00 C ATOM 667 NE ARG A 77 -16.057 -0.417 -25.280 1.00 0.00 N ATOM 668 CZ ARG A 77 -16.332 0.190 -26.402 1.00 0.00 C ATOM 669 NH1 ARG A 77 -17.569 0.466 -26.708 1.00 0.00 N ATOM 670 NH2 ARG A 77 -15.368 0.520 -27.218 1.00 0.00 N ATOM 0 H ARG A 77 -15.951 1.247 -21.321 1.00 0.00 H new ATOM 0 HA ARG A 77 -17.411 -1.297 -20.573 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.003 -0.496 -22.304 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.331 -2.167 -21.890 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.622 -2.149 -23.796 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -17.823 -1.391 -22.770 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -17.733 0.398 -24.228 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -16.181 0.780 -23.510 1.00 0.00 H new ATOM 0 HE ARG A 77 -15.375 -1.175 -25.264 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -18.322 0.207 -26.070 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -17.784 0.940 -27.585 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.400 0.303 -26.978 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -15.582 0.994 -28.095 1.00 0.00 H new ATOM 684 N GLN A 78 -14.451 -0.308 -19.532 1.00 0.00 N ATOM 685 CA GLN A 78 -13.506 -0.473 -18.391 1.00 0.00 C ATOM 686 C GLN A 78 -12.870 0.876 -18.036 1.00 0.00 C ATOM 687 O GLN A 78 -13.283 1.543 -17.110 1.00 0.00 O ATOM 688 CB GLN A 78 -12.450 -1.454 -18.902 1.00 0.00 C ATOM 689 CG GLN A 78 -13.078 -2.841 -19.052 1.00 0.00 C ATOM 690 CD GLN A 78 -13.442 -3.384 -17.671 1.00 0.00 C ATOM 691 OE1 GLN A 78 -12.588 -3.849 -16.943 1.00 0.00 O ATOM 692 NE2 GLN A 78 -14.684 -3.341 -17.274 1.00 0.00 N ATOM 0 H GLN A 78 -14.141 0.336 -20.260 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.996 -0.836 -17.488 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -12.056 -1.115 -19.860 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -11.610 -1.496 -18.209 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -13.968 -2.784 -19.679 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -12.381 -3.516 -19.549 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -15.401 -2.951 -17.885 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -14.938 -3.698 -16.353 1.00 0.00 H new ATOM 701 N GLY A 79 -11.872 1.283 -18.772 1.00 0.00 N ATOM 702 CA GLY A 79 -11.215 2.591 -18.486 1.00 0.00 C ATOM 703 C GLY A 79 -10.436 2.516 -17.170 1.00 0.00 C ATOM 704 O GLY A 79 -10.198 3.517 -16.525 1.00 0.00 O ATOM 0 H GLY A 79 -11.482 0.766 -19.560 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.541 2.853 -19.301 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.966 3.378 -18.428 1.00 0.00 H new ATOM 708 N GLY A 80 -10.034 1.342 -16.766 1.00 0.00 N ATOM 709 CA GLY A 80 -9.270 1.223 -15.491 1.00 0.00 C ATOM 710 C GLY A 80 -8.212 0.127 -15.620 1.00 0.00 C ATOM 711 O GLY A 80 -7.187 0.308 -16.250 1.00 0.00 O ATOM 0 H GLY A 80 -10.200 0.465 -17.260 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.794 2.174 -15.252 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.949 0.991 -14.670 1.00 0.00 H new ATOM 715 N ASP A 81 -8.447 -1.006 -15.022 1.00 0.00 N ATOM 716 CA ASP A 81 -7.453 -2.110 -15.104 1.00 0.00 C ATOM 717 C ASP A 81 -8.130 -3.401 -15.567 1.00 0.00 C ATOM 718 O ASP A 81 -9.339 -3.483 -15.653 1.00 0.00 O ATOM 719 CB ASP A 81 -6.927 -2.271 -13.678 1.00 0.00 C ATOM 720 CG ASP A 81 -8.070 -2.713 -12.763 1.00 0.00 C ATOM 721 OD1 ASP A 81 -9.208 -2.414 -13.085 1.00 0.00 O ATOM 722 OD2 ASP A 81 -7.789 -3.344 -11.758 1.00 0.00 O ATOM 0 H ASP A 81 -9.285 -1.215 -14.480 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.656 -1.895 -15.816 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.123 -3.007 -13.656 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.507 -1.329 -13.325 1.00 0.00 H new ATOM 727 N LEU A 82 -7.360 -4.415 -15.845 1.00 0.00 N ATOM 728 CA LEU A 82 -7.960 -5.703 -16.282 1.00 0.00 C ATOM 729 C LEU A 82 -7.993 -6.668 -15.095 1.00 0.00 C ATOM 730 O LEU A 82 -8.158 -7.863 -15.248 1.00 0.00 O ATOM 731 CB LEU A 82 -7.043 -6.216 -17.395 1.00 0.00 C ATOM 732 CG LEU A 82 -7.305 -5.414 -18.673 1.00 0.00 C ATOM 733 CD1 LEU A 82 -6.960 -3.943 -18.437 1.00 0.00 C ATOM 734 CD2 LEU A 82 -6.441 -5.959 -19.811 1.00 0.00 C ATOM 0 H LEU A 82 -6.342 -4.406 -15.788 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.984 -5.599 -16.640 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.999 -6.117 -17.097 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.225 -7.276 -17.573 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.358 -5.504 -18.941 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.147 -3.375 -19.348 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.578 -3.549 -17.630 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.908 -3.855 -18.164 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.631 -5.386 -20.718 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.388 -5.874 -19.541 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.688 -7.006 -19.986 1.00 0.00 H new ATOM 746 N GLY A 83 -7.845 -6.143 -13.907 1.00 0.00 N ATOM 747 CA GLY A 83 -7.875 -6.997 -12.686 1.00 0.00 C ATOM 748 C GLY A 83 -6.909 -8.169 -12.837 1.00 0.00 C ATOM 749 O GLY A 83 -5.775 -8.011 -13.254 1.00 0.00 O ATOM 0 H GLY A 83 -7.703 -5.148 -13.730 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.605 -6.404 -11.812 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.886 -7.369 -12.519 1.00 0.00 H new ATOM 753 N TRP A 84 -7.359 -9.346 -12.493 1.00 0.00 N ATOM 754 CA TRP A 84 -6.490 -10.548 -12.601 1.00 0.00 C ATOM 755 C TRP A 84 -6.607 -11.139 -14.006 1.00 0.00 C ATOM 756 O TRP A 84 -7.689 -11.416 -14.482 1.00 0.00 O ATOM 757 CB TRP A 84 -7.040 -11.521 -11.556 1.00 0.00 C ATOM 758 CG TRP A 84 -6.517 -11.156 -10.199 1.00 0.00 C ATOM 759 CD1 TRP A 84 -5.655 -11.909 -9.479 1.00 0.00 C ATOM 760 CD2 TRP A 84 -6.805 -9.975 -9.389 1.00 0.00 C ATOM 761 NE1 TRP A 84 -5.392 -11.266 -8.281 1.00 0.00 N ATOM 762 CE2 TRP A 84 -6.077 -10.072 -8.179 1.00 0.00 C ATOM 763 CE3 TRP A 84 -7.617 -8.841 -9.582 1.00 0.00 C ATOM 764 CZ2 TRP A 84 -6.151 -9.082 -7.198 1.00 0.00 C ATOM 765 CZ3 TRP A 84 -7.693 -7.844 -8.596 1.00 0.00 C ATOM 766 CH2 TRP A 84 -6.961 -7.965 -7.407 1.00 0.00 C ATOM 0 H TRP A 84 -8.299 -9.525 -12.139 1.00 0.00 H new ATOM 0 HA TRP A 84 -5.436 -10.327 -12.432 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -8.130 -11.492 -11.556 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -6.748 -12.541 -11.806 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -5.240 -12.857 -9.788 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -4.768 -11.631 -7.561 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -8.185 -8.737 -10.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -5.585 -9.180 -6.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -8.319 -6.979 -8.755 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -7.024 -7.194 -6.653 1.00 0.00 H new ATOM 777 N MET A 85 -5.506 -11.325 -14.681 1.00 0.00 N ATOM 778 CA MET A 85 -5.575 -11.885 -16.057 1.00 0.00 C ATOM 779 C MET A 85 -4.477 -12.929 -16.275 1.00 0.00 C ATOM 780 O MET A 85 -3.358 -12.774 -15.828 1.00 0.00 O ATOM 781 CB MET A 85 -5.359 -10.682 -16.973 1.00 0.00 C ATOM 782 CG MET A 85 -5.162 -11.167 -18.407 1.00 0.00 C ATOM 783 SD MET A 85 -5.810 -9.931 -19.559 1.00 0.00 S ATOM 784 CE MET A 85 -7.551 -10.413 -19.457 1.00 0.00 C ATOM 0 H MET A 85 -4.568 -11.114 -14.341 1.00 0.00 H new ATOM 0 HA MET A 85 -6.522 -12.389 -16.249 1.00 0.00 H new ATOM 0 HB2 MET A 85 -6.216 -10.011 -16.919 1.00 0.00 H new ATOM 0 HB3 MET A 85 -4.488 -10.114 -16.646 1.00 0.00 H new ATOM 0 HG2 MET A 85 -4.103 -11.340 -18.601 1.00 0.00 H new ATOM 0 HG3 MET A 85 -5.673 -12.119 -18.553 1.00 0.00 H new ATOM 0 HE1 MET A 85 -8.176 -9.520 -19.446 1.00 0.00 H new ATOM 0 HE2 MET A 85 -7.810 -11.027 -20.320 1.00 0.00 H new ATOM 0 HE3 MET A 85 -7.718 -10.983 -18.543 1.00 0.00 H new ATOM 794 N THR A 86 -4.793 -13.990 -16.966 1.00 0.00 N ATOM 795 CA THR A 86 -3.776 -15.050 -17.224 1.00 0.00 C ATOM 796 C THR A 86 -3.410 -15.073 -18.710 1.00 0.00 C ATOM 797 O THR A 86 -2.292 -15.365 -19.081 1.00 0.00 O ATOM 798 CB THR A 86 -4.462 -16.358 -16.829 1.00 0.00 C ATOM 799 OG1 THR A 86 -5.603 -16.556 -17.653 1.00 0.00 O ATOM 800 CG2 THR A 86 -4.893 -16.294 -15.363 1.00 0.00 C ATOM 0 H THR A 86 -5.715 -14.169 -17.364 1.00 0.00 H new ATOM 0 HA THR A 86 -2.854 -14.885 -16.666 1.00 0.00 H new ATOM 0 HB THR A 86 -3.767 -17.187 -16.961 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.045 -17.395 -17.404 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.381 -17.228 -15.086 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.017 -16.142 -14.733 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.588 -15.466 -15.224 1.00 0.00 H new ATOM 808 N ARG A 87 -4.352 -14.769 -19.561 1.00 0.00 N ATOM 809 CA ARG A 87 -4.077 -14.773 -21.028 1.00 0.00 C ATOM 810 C ARG A 87 -3.090 -13.662 -21.393 1.00 0.00 C ATOM 811 O ARG A 87 -2.321 -13.782 -22.324 1.00 0.00 O ATOM 812 CB ARG A 87 -5.435 -14.507 -21.677 1.00 0.00 C ATOM 813 CG ARG A 87 -5.306 -14.606 -23.198 1.00 0.00 C ATOM 814 CD ARG A 87 -6.700 -14.596 -23.829 1.00 0.00 C ATOM 815 NE ARG A 87 -6.480 -14.973 -25.252 1.00 0.00 N ATOM 816 CZ ARG A 87 -7.501 -15.128 -26.052 1.00 0.00 C ATOM 817 NH1 ARG A 87 -8.715 -15.130 -25.571 1.00 0.00 N ATOM 818 NH2 ARG A 87 -7.306 -15.283 -27.332 1.00 0.00 N ATOM 0 H ARG A 87 -5.306 -14.517 -19.302 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.632 -15.711 -21.360 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.169 -15.228 -21.317 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.796 -13.517 -21.396 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.717 -13.772 -23.579 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.778 -15.520 -23.470 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.364 -15.303 -23.331 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.163 -13.613 -23.748 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.532 -15.110 -25.603 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.867 -15.010 -24.569 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.511 -15.251 -26.197 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.357 -15.283 -27.707 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.102 -15.404 -27.958 1.00 0.00 H new ATOM 832 N GLY A 88 -3.118 -12.575 -20.673 1.00 0.00 N ATOM 833 CA GLY A 88 -2.193 -11.447 -20.982 1.00 0.00 C ATOM 834 C GLY A 88 -2.872 -10.129 -20.636 1.00 0.00 C ATOM 835 O GLY A 88 -3.028 -9.780 -19.483 1.00 0.00 O ATOM 0 H GLY A 88 -3.743 -12.418 -19.882 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.269 -11.553 -20.414 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.921 -11.463 -22.038 1.00 0.00 H new ATOM 839 N SER A 89 -3.272 -9.392 -21.625 1.00 0.00 N ATOM 840 CA SER A 89 -3.939 -8.094 -21.359 1.00 0.00 C ATOM 841 C SER A 89 -5.046 -7.869 -22.388 1.00 0.00 C ATOM 842 O SER A 89 -6.216 -7.832 -22.063 1.00 0.00 O ATOM 843 CB SER A 89 -2.835 -7.054 -21.514 1.00 0.00 C ATOM 844 OG SER A 89 -3.058 -5.994 -20.594 1.00 0.00 O ATOM 0 H SER A 89 -3.166 -9.632 -22.611 1.00 0.00 H new ATOM 0 HA SER A 89 -4.403 -8.047 -20.374 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.862 -7.510 -21.333 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.822 -6.669 -22.534 1.00 0.00 H new ATOM 0 HG SER A 89 -2.818 -5.141 -21.013 1.00 0.00 H new ATOM 850 N MET A 90 -4.679 -7.713 -23.629 1.00 0.00 N ATOM 851 CA MET A 90 -5.710 -7.483 -24.689 1.00 0.00 C ATOM 852 C MET A 90 -5.311 -8.170 -26.000 1.00 0.00 C ATOM 853 O MET A 90 -5.839 -9.208 -26.349 1.00 0.00 O ATOM 854 CB MET A 90 -5.762 -5.967 -24.883 1.00 0.00 C ATOM 855 CG MET A 90 -6.384 -5.315 -23.647 1.00 0.00 C ATOM 856 SD MET A 90 -6.432 -3.520 -23.874 1.00 0.00 S ATOM 857 CE MET A 90 -8.228 -3.361 -24.025 1.00 0.00 C ATOM 0 H MET A 90 -3.714 -7.734 -23.958 1.00 0.00 H new ATOM 0 HA MET A 90 -6.677 -7.895 -24.400 1.00 0.00 H new ATOM 0 HB2 MET A 90 -4.758 -5.576 -25.047 1.00 0.00 H new ATOM 0 HB3 MET A 90 -6.348 -5.723 -25.769 1.00 0.00 H new ATOM 0 HG2 MET A 90 -7.391 -5.700 -23.488 1.00 0.00 H new ATOM 0 HG3 MET A 90 -5.803 -5.565 -22.759 1.00 0.00 H new ATOM 0 HE1 MET A 90 -8.489 -2.313 -24.175 1.00 0.00 H new ATOM 0 HE2 MET A 90 -8.575 -3.947 -24.876 1.00 0.00 H new ATOM 0 HE3 MET A 90 -8.703 -3.727 -23.115 1.00 0.00 H new ATOM 867 N VAL A 91 -4.397 -7.593 -26.736 1.00 0.00 N ATOM 868 CA VAL A 91 -3.987 -8.214 -28.034 1.00 0.00 C ATOM 869 C VAL A 91 -2.823 -7.440 -28.669 1.00 0.00 C ATOM 870 O VAL A 91 -2.513 -6.330 -28.282 1.00 0.00 O ATOM 871 CB VAL A 91 -5.240 -8.135 -28.921 1.00 0.00 C ATOM 872 CG1 VAL A 91 -5.967 -6.806 -28.685 1.00 0.00 C ATOM 873 CG2 VAL A 91 -4.840 -8.234 -30.398 1.00 0.00 C ATOM 0 H VAL A 91 -3.918 -6.724 -26.498 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.638 -9.238 -27.904 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.903 -8.962 -28.665 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.853 -6.759 -29.318 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -6.264 -6.734 -27.639 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.301 -5.979 -28.931 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.732 -8.177 -31.021 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.169 -7.412 -30.649 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.333 -9.183 -30.575 1.00 0.00 H new ATOM 883 N GLY A 92 -2.186 -8.022 -29.654 1.00 0.00 N ATOM 884 CA GLY A 92 -1.050 -7.333 -30.337 1.00 0.00 C ATOM 885 C GLY A 92 0.141 -7.215 -29.386 1.00 0.00 C ATOM 886 O GLY A 92 0.394 -8.098 -28.591 1.00 0.00 O ATOM 0 H GLY A 92 -2.406 -8.950 -30.016 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.760 -7.889 -31.228 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.361 -6.342 -30.667 1.00 0.00 H new ATOM 890 N PRO A 93 0.831 -6.111 -29.499 1.00 0.00 N ATOM 891 CA PRO A 93 2.008 -5.855 -28.634 1.00 0.00 C ATOM 892 C PRO A 93 1.544 -5.678 -27.191 1.00 0.00 C ATOM 893 O PRO A 93 2.197 -6.105 -26.258 1.00 0.00 O ATOM 894 CB PRO A 93 2.593 -4.562 -29.200 1.00 0.00 C ATOM 895 CG PRO A 93 1.445 -3.896 -29.886 1.00 0.00 C ATOM 896 CD PRO A 93 0.579 -5.002 -30.426 1.00 0.00 C ATOM 0 HA PRO A 93 2.740 -6.663 -28.626 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.001 -3.933 -28.409 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.406 -4.767 -29.896 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.887 -3.269 -29.191 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.795 -3.248 -30.690 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.474 -4.719 -30.438 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.851 -5.263 -31.449 1.00 0.00 H new ATOM 904 N PHE A 94 0.405 -5.074 -27.004 1.00 0.00 N ATOM 905 CA PHE A 94 -0.119 -4.894 -25.626 1.00 0.00 C ATOM 906 C PHE A 94 -0.096 -6.248 -24.916 1.00 0.00 C ATOM 907 O PHE A 94 0.085 -6.337 -23.717 1.00 0.00 O ATOM 908 CB PHE A 94 -1.553 -4.399 -25.819 1.00 0.00 C ATOM 909 CG PHE A 94 -2.109 -3.914 -24.505 1.00 0.00 C ATOM 910 CD1 PHE A 94 -1.775 -2.642 -24.027 1.00 0.00 C ATOM 911 CD2 PHE A 94 -2.969 -4.734 -23.772 1.00 0.00 C ATOM 912 CE1 PHE A 94 -2.301 -2.193 -22.811 1.00 0.00 C ATOM 913 CE2 PHE A 94 -3.498 -4.285 -22.558 1.00 0.00 C ATOM 914 CZ PHE A 94 -3.164 -3.015 -22.076 1.00 0.00 C ATOM 0 H PHE A 94 -0.185 -4.698 -27.747 1.00 0.00 H new ATOM 0 HA PHE A 94 0.463 -4.196 -25.024 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -1.573 -3.593 -26.552 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -2.175 -5.203 -26.212 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -1.112 -2.008 -24.596 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -3.226 -5.715 -24.143 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.042 -1.213 -22.439 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -4.165 -4.919 -21.992 1.00 0.00 H new ATOM 0 HZ PHE A 94 -3.571 -2.669 -21.138 1.00 0.00 H new ATOM 924 N GLN A 95 -0.257 -7.304 -25.667 1.00 0.00 N ATOM 925 CA GLN A 95 -0.228 -8.669 -25.074 1.00 0.00 C ATOM 926 C GLN A 95 1.224 -9.124 -24.929 1.00 0.00 C ATOM 927 O GLN A 95 1.672 -9.494 -23.861 1.00 0.00 O ATOM 928 CB GLN A 95 -0.972 -9.549 -26.087 1.00 0.00 C ATOM 929 CG GLN A 95 -0.638 -11.025 -25.847 1.00 0.00 C ATOM 930 CD GLN A 95 -1.395 -11.526 -24.618 1.00 0.00 C ATOM 931 OE1 GLN A 95 -2.121 -10.779 -23.993 1.00 0.00 O ATOM 932 NE2 GLN A 95 -1.254 -12.768 -24.245 1.00 0.00 N ATOM 0 H GLN A 95 -0.409 -7.277 -26.675 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.685 -8.716 -24.086 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.047 -9.392 -25.997 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.693 -9.265 -27.102 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.910 -11.617 -26.721 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.435 -11.147 -25.701 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.644 -13.393 -24.772 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.754 -13.115 -23.426 1.00 0.00 H new ATOM 941 N GLU A 96 1.960 -9.094 -26.006 1.00 0.00 N ATOM 942 CA GLU A 96 3.386 -9.517 -25.960 1.00 0.00 C ATOM 943 C GLU A 96 4.165 -8.645 -24.971 1.00 0.00 C ATOM 944 O GLU A 96 4.935 -9.136 -24.170 1.00 0.00 O ATOM 945 CB GLU A 96 3.894 -9.306 -27.388 1.00 0.00 C ATOM 946 CG GLU A 96 5.384 -9.639 -27.461 1.00 0.00 C ATOM 947 CD GLU A 96 6.199 -8.351 -27.329 1.00 0.00 C ATOM 948 OE1 GLU A 96 5.598 -7.310 -27.125 1.00 0.00 O ATOM 949 OE2 GLU A 96 7.413 -8.429 -27.432 1.00 0.00 O ATOM 0 H GLU A 96 1.631 -8.792 -26.923 1.00 0.00 H new ATOM 0 HA GLU A 96 3.508 -10.548 -25.629 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.336 -9.938 -28.079 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.727 -8.273 -27.694 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.652 -10.335 -26.666 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.612 -10.132 -28.406 1.00 0.00 H new ATOM 956 N ALA A 97 3.969 -7.356 -25.019 1.00 0.00 N ATOM 957 CA ALA A 97 4.696 -6.457 -24.079 1.00 0.00 C ATOM 958 C ALA A 97 4.251 -6.728 -22.639 1.00 0.00 C ATOM 959 O ALA A 97 5.062 -6.957 -21.760 1.00 0.00 O ATOM 960 CB ALA A 97 4.310 -5.041 -24.506 1.00 0.00 C ATOM 0 H ALA A 97 3.337 -6.887 -25.668 1.00 0.00 H new ATOM 0 HA ALA A 97 5.775 -6.610 -24.111 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.807 -4.318 -23.859 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.617 -4.876 -25.539 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.230 -4.918 -24.425 1.00 0.00 H new ATOM 966 N ALA A 98 2.968 -6.707 -22.390 1.00 0.00 N ATOM 967 CA ALA A 98 2.471 -6.964 -21.006 1.00 0.00 C ATOM 968 C ALA A 98 3.250 -8.117 -20.364 1.00 0.00 C ATOM 969 O ALA A 98 3.796 -7.989 -19.286 1.00 0.00 O ATOM 970 CB ALA A 98 1.004 -7.347 -21.181 1.00 0.00 C ATOM 0 H ALA A 98 2.244 -6.523 -23.084 1.00 0.00 H new ATOM 0 HA ALA A 98 2.596 -6.097 -20.357 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.563 -7.553 -20.206 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.468 -6.525 -21.656 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.932 -8.237 -21.807 1.00 0.00 H new ATOM 976 N PHE A 99 3.300 -9.242 -21.022 1.00 0.00 N ATOM 977 CA PHE A 99 4.034 -10.416 -20.462 1.00 0.00 C ATOM 978 C PHE A 99 5.539 -10.300 -20.732 1.00 0.00 C ATOM 979 O PHE A 99 6.307 -11.164 -20.356 1.00 0.00 O ATOM 980 CB PHE A 99 3.466 -11.621 -21.217 1.00 0.00 C ATOM 981 CG PHE A 99 2.231 -12.160 -20.523 1.00 0.00 C ATOM 982 CD1 PHE A 99 1.631 -11.449 -19.471 1.00 0.00 C ATOM 983 CD2 PHE A 99 1.684 -13.379 -20.942 1.00 0.00 C ATOM 984 CE1 PHE A 99 0.488 -11.964 -18.843 1.00 0.00 C ATOM 985 CE2 PHE A 99 0.542 -13.891 -20.312 1.00 0.00 C ATOM 986 CZ PHE A 99 -0.055 -13.184 -19.263 1.00 0.00 C ATOM 0 H PHE A 99 2.862 -9.401 -21.929 1.00 0.00 H new ATOM 0 HA PHE A 99 3.911 -10.493 -19.382 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.217 -11.331 -22.238 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.222 -12.403 -21.283 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.049 -10.508 -19.146 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.143 -13.926 -21.752 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.026 -11.418 -18.034 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.123 -14.832 -20.636 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.935 -13.579 -18.777 1.00 0.00 H new ATOM 996 N ALA A 100 5.972 -9.260 -21.395 1.00 0.00 N ATOM 997 CA ALA A 100 7.431 -9.137 -21.692 1.00 0.00 C ATOM 998 C ALA A 100 7.991 -7.776 -21.259 1.00 0.00 C ATOM 999 O ALA A 100 9.024 -7.352 -21.737 1.00 0.00 O ATOM 1000 CB ALA A 100 7.532 -9.290 -23.209 1.00 0.00 C ATOM 0 H ALA A 100 5.388 -8.499 -21.740 1.00 0.00 H new ATOM 0 HA ALA A 100 8.010 -9.884 -21.149 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.576 -9.212 -23.514 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.140 -10.263 -23.503 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.953 -8.504 -23.693 1.00 0.00 H new ATOM 1006 N LEU A 101 7.343 -7.086 -20.359 1.00 0.00 N ATOM 1007 CA LEU A 101 7.890 -5.765 -19.923 1.00 0.00 C ATOM 1008 C LEU A 101 8.475 -5.856 -18.503 1.00 0.00 C ATOM 1009 O LEU A 101 7.959 -5.267 -17.574 1.00 0.00 O ATOM 1010 CB LEU A 101 6.708 -4.790 -19.978 1.00 0.00 C ATOM 1011 CG LEU A 101 5.761 -5.030 -18.801 1.00 0.00 C ATOM 1012 CD1 LEU A 101 5.836 -3.850 -17.830 1.00 0.00 C ATOM 1013 CD2 LEU A 101 4.332 -5.154 -19.324 1.00 0.00 C ATOM 0 H LEU A 101 6.472 -7.372 -19.912 1.00 0.00 H new ATOM 0 HA LEU A 101 8.706 -5.434 -20.565 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.074 -3.764 -19.954 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.169 -4.915 -20.917 1.00 0.00 H new ATOM 0 HG LEU A 101 6.051 -5.945 -18.285 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.160 -4.024 -16.993 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.856 -3.749 -17.458 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.546 -2.935 -18.346 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.653 -5.325 -18.489 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.051 -4.234 -19.837 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.270 -5.991 -20.019 1.00 0.00 H new ATOM 1138 N VAL A 110 6.201 -1.496 -11.799 1.00 0.00 N ATOM 1139 CA VAL A 110 6.202 -0.155 -12.444 1.00 0.00 C ATOM 1140 C VAL A 110 5.309 -0.179 -13.696 1.00 0.00 C ATOM 1141 O VAL A 110 4.669 -1.171 -14.001 1.00 0.00 O ATOM 1142 CB VAL A 110 7.685 0.108 -12.784 1.00 0.00 C ATOM 1143 CG1 VAL A 110 7.902 0.226 -14.298 1.00 0.00 C ATOM 1144 CG2 VAL A 110 8.129 1.409 -12.113 1.00 0.00 C ATOM 0 HA VAL A 110 5.801 0.635 -11.809 1.00 0.00 H new ATOM 0 HB VAL A 110 8.273 -0.734 -12.419 1.00 0.00 H new ATOM 0 HG11 VAL A 110 8.957 0.411 -14.501 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.596 -0.701 -14.783 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.307 1.052 -14.688 1.00 0.00 H new ATOM 0 HG21 VAL A 110 9.176 1.601 -12.349 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.517 2.234 -12.478 1.00 0.00 H new ATOM 0 HG23 VAL A 110 8.011 1.320 -11.033 1.00 0.00 H new ATOM 1154 N PHE A 111 5.270 0.903 -14.427 1.00 0.00 N ATOM 1155 CA PHE A 111 4.436 0.936 -15.660 1.00 0.00 C ATOM 1156 C PHE A 111 5.343 1.076 -16.886 1.00 0.00 C ATOM 1157 O PHE A 111 6.509 1.399 -16.772 1.00 0.00 O ATOM 1158 CB PHE A 111 3.514 2.148 -15.503 1.00 0.00 C ATOM 1159 CG PHE A 111 4.309 3.424 -15.632 1.00 0.00 C ATOM 1160 CD1 PHE A 111 4.974 3.951 -14.520 1.00 0.00 C ATOM 1161 CD2 PHE A 111 4.371 4.086 -16.864 1.00 0.00 C ATOM 1162 CE1 PHE A 111 5.703 5.140 -14.638 1.00 0.00 C ATOM 1163 CE2 PHE A 111 5.101 5.274 -16.983 1.00 0.00 C ATOM 1164 CZ PHE A 111 5.766 5.802 -15.870 1.00 0.00 C ATOM 0 H PHE A 111 5.779 1.763 -14.223 1.00 0.00 H new ATOM 0 HA PHE A 111 3.854 0.025 -15.798 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.731 2.120 -16.261 1.00 0.00 H new ATOM 0 HB3 PHE A 111 3.019 2.115 -14.532 1.00 0.00 H new ATOM 0 HD1 PHE A 111 4.925 3.440 -13.570 1.00 0.00 H new ATOM 0 HD2 PHE A 111 3.856 3.680 -17.722 1.00 0.00 H new ATOM 0 HE1 PHE A 111 6.217 5.546 -13.779 1.00 0.00 H new ATOM 0 HE2 PHE A 111 5.151 5.784 -17.934 1.00 0.00 H new ATOM 0 HZ PHE A 111 6.328 6.720 -15.962 1.00 0.00 H new ATOM 1174 N THR A 112 4.827 0.812 -18.054 1.00 0.00 N ATOM 1175 CA THR A 112 5.670 0.902 -19.282 1.00 0.00 C ATOM 1176 C THR A 112 5.938 2.361 -19.675 1.00 0.00 C ATOM 1177 O THR A 112 5.034 3.106 -19.996 1.00 0.00 O ATOM 1178 CB THR A 112 4.855 0.194 -20.365 1.00 0.00 C ATOM 1179 OG1 THR A 112 3.571 0.795 -20.458 1.00 0.00 O ATOM 1180 CG2 THR A 112 4.704 -1.285 -20.002 1.00 0.00 C ATOM 0 H THR A 112 3.858 0.538 -18.213 1.00 0.00 H new ATOM 0 HA THR A 112 6.650 0.448 -19.132 1.00 0.00 H new ATOM 0 HB THR A 112 5.366 0.282 -21.324 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.641 1.751 -20.252 1.00 0.00 H new ATOM 0 HG21 THR A 112 4.123 -1.791 -20.773 1.00 0.00 H new ATOM 0 HG22 THR A 112 5.690 -1.744 -19.930 1.00 0.00 H new ATOM 0 HG23 THR A 112 4.191 -1.374 -19.044 1.00 0.00 H new ATOM 1188 N ASP A 113 7.183 2.765 -19.663 1.00 0.00 N ATOM 1189 CA ASP A 113 7.527 4.167 -20.047 1.00 0.00 C ATOM 1190 C ASP A 113 8.705 4.156 -21.039 1.00 0.00 C ATOM 1191 O ASP A 113 9.749 3.616 -20.733 1.00 0.00 O ATOM 1192 CB ASP A 113 7.941 4.846 -18.741 1.00 0.00 C ATOM 1193 CG ASP A 113 9.205 4.178 -18.195 1.00 0.00 C ATOM 1194 OD1 ASP A 113 9.182 2.973 -18.009 1.00 0.00 O ATOM 1195 OD2 ASP A 113 10.175 4.885 -17.974 1.00 0.00 O ATOM 0 H ASP A 113 7.978 2.182 -19.403 1.00 0.00 H new ATOM 0 HA ASP A 113 6.697 4.684 -20.528 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.123 5.907 -18.912 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.135 4.775 -18.011 1.00 0.00 H new ATOM 1200 N PRO A 114 8.506 4.739 -22.199 1.00 0.00 N ATOM 1201 CA PRO A 114 7.216 5.390 -22.541 1.00 0.00 C ATOM 1202 C PRO A 114 6.120 4.337 -22.707 1.00 0.00 C ATOM 1203 O PRO A 114 6.395 3.154 -22.732 1.00 0.00 O ATOM 1204 CB PRO A 114 7.506 6.097 -23.863 1.00 0.00 C ATOM 1205 CG PRO A 114 8.649 5.340 -24.456 1.00 0.00 C ATOM 1206 CD PRO A 114 9.471 4.829 -23.302 1.00 0.00 C ATOM 0 HA PRO A 114 6.863 6.077 -21.772 1.00 0.00 H new ATOM 0 HB2 PRO A 114 6.636 6.080 -24.520 1.00 0.00 H new ATOM 0 HB3 PRO A 114 7.765 7.144 -23.704 1.00 0.00 H new ATOM 0 HG2 PRO A 114 8.290 4.515 -25.071 1.00 0.00 H new ATOM 0 HG3 PRO A 114 9.246 5.983 -25.102 1.00 0.00 H new ATOM 0 HD2 PRO A 114 9.915 3.859 -23.525 1.00 0.00 H new ATOM 0 HD3 PRO A 114 10.290 5.507 -23.063 1.00 0.00 H new ATOM 1214 N PRO A 115 4.910 4.809 -22.812 1.00 0.00 N ATOM 1215 CA PRO A 115 3.756 3.898 -22.974 1.00 0.00 C ATOM 1216 C PRO A 115 3.740 3.318 -24.387 1.00 0.00 C ATOM 1217 O PRO A 115 4.627 3.564 -25.180 1.00 0.00 O ATOM 1218 CB PRO A 115 2.549 4.805 -22.749 1.00 0.00 C ATOM 1219 CG PRO A 115 3.030 6.180 -23.090 1.00 0.00 C ATOM 1220 CD PRO A 115 4.508 6.219 -22.795 1.00 0.00 C ATOM 0 HA PRO A 115 3.777 3.049 -22.291 1.00 0.00 H new ATOM 0 HB2 PRO A 115 1.711 4.512 -23.382 1.00 0.00 H new ATOM 0 HB3 PRO A 115 2.203 4.753 -21.717 1.00 0.00 H new ATOM 0 HG2 PRO A 115 2.841 6.405 -24.140 1.00 0.00 H new ATOM 0 HG3 PRO A 115 2.500 6.930 -22.503 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.049 6.798 -23.544 1.00 0.00 H new ATOM 0 HD3 PRO A 115 4.710 6.680 -21.828 1.00 0.00 H new ATOM 1228 N VAL A 116 2.735 2.557 -24.713 1.00 0.00 N ATOM 1229 CA VAL A 116 2.661 1.977 -26.081 1.00 0.00 C ATOM 1230 C VAL A 116 1.684 2.791 -26.928 1.00 0.00 C ATOM 1231 O VAL A 116 0.711 3.326 -26.431 1.00 0.00 O ATOM 1232 CB VAL A 116 2.158 0.546 -25.888 1.00 0.00 C ATOM 1233 CG1 VAL A 116 3.033 -0.169 -24.857 1.00 0.00 C ATOM 1234 CG2 VAL A 116 0.710 0.573 -25.394 1.00 0.00 C ATOM 0 H VAL A 116 1.963 2.312 -24.093 1.00 0.00 H new ATOM 0 HA VAL A 116 3.622 1.991 -26.595 1.00 0.00 H new ATOM 0 HB VAL A 116 2.207 0.015 -26.839 1.00 0.00 H new ATOM 0 HG11 VAL A 116 2.674 -1.189 -24.720 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.065 -0.192 -25.208 1.00 0.00 H new ATOM 0 HG13 VAL A 116 2.985 0.363 -23.907 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.353 -0.448 -25.257 1.00 0.00 H new ATOM 0 HG22 VAL A 116 0.659 1.106 -24.444 1.00 0.00 H new ATOM 0 HG23 VAL A 116 0.084 1.081 -26.128 1.00 0.00 H new ATOM 1244 N LYS A 117 1.932 2.894 -28.202 1.00 0.00 N ATOM 1245 CA LYS A 117 1.017 3.677 -29.075 1.00 0.00 C ATOM 1246 C LYS A 117 0.400 2.761 -30.131 1.00 0.00 C ATOM 1247 O LYS A 117 1.090 2.033 -30.817 1.00 0.00 O ATOM 1248 CB LYS A 117 1.902 4.738 -29.726 1.00 0.00 C ATOM 1249 CG LYS A 117 2.871 4.063 -30.696 1.00 0.00 C ATOM 1250 CD LYS A 117 3.973 5.049 -31.086 1.00 0.00 C ATOM 1251 CE LYS A 117 4.962 5.194 -29.927 1.00 0.00 C ATOM 1252 NZ LYS A 117 5.540 3.834 -29.743 1.00 0.00 N ATOM 0 H LYS A 117 2.729 2.470 -28.677 1.00 0.00 H new ATOM 0 HA LYS A 117 0.192 4.127 -28.522 1.00 0.00 H new ATOM 0 HB2 LYS A 117 1.287 5.466 -30.256 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.456 5.284 -28.962 1.00 0.00 H new ATOM 0 HG2 LYS A 117 3.308 3.178 -30.233 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.337 3.728 -31.585 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.491 4.697 -31.978 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.539 6.018 -31.331 1.00 0.00 H new ATOM 0 HE2 LYS A 117 5.737 5.925 -30.158 1.00 0.00 H new ATOM 0 HE3 LYS A 117 4.462 5.536 -29.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.533 3.916 -29.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 5.001 3.324 -29.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 5.490 3.311 -30.641 1.00 0.00 H new ATOM 1266 N THR A 118 -0.893 2.781 -30.256 1.00 0.00 N ATOM 1267 CA THR A 118 -1.560 1.901 -31.257 1.00 0.00 C ATOM 1268 C THR A 118 -2.563 2.708 -32.084 1.00 0.00 C ATOM 1269 O THR A 118 -2.805 3.868 -31.820 1.00 0.00 O ATOM 1270 CB THR A 118 -2.282 0.857 -30.414 1.00 0.00 C ATOM 1271 OG1 THR A 118 -3.188 1.516 -29.542 1.00 0.00 O ATOM 1272 CG2 THR A 118 -1.263 0.068 -29.589 1.00 0.00 C ATOM 0 H THR A 118 -1.521 3.369 -29.708 1.00 0.00 H new ATOM 0 HA THR A 118 -0.858 1.455 -31.962 1.00 0.00 H new ATOM 0 HB THR A 118 -2.825 0.171 -31.064 1.00 0.00 H new ATOM 0 HG1 THR A 118 -3.330 0.968 -28.742 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.782 -0.678 -28.987 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.561 -0.430 -30.258 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.720 0.749 -28.934 1.00 0.00 H new ATOM 1280 N LYS A 119 -3.152 2.106 -33.082 1.00 0.00 N ATOM 1281 CA LYS A 119 -4.137 2.856 -33.910 1.00 0.00 C ATOM 1282 C LYS A 119 -5.388 3.170 -33.084 1.00 0.00 C ATOM 1283 O LYS A 119 -6.168 4.033 -33.432 1.00 0.00 O ATOM 1284 CB LYS A 119 -4.478 1.940 -35.086 1.00 0.00 C ATOM 1285 CG LYS A 119 -5.224 2.753 -36.149 1.00 0.00 C ATOM 1286 CD LYS A 119 -5.435 1.902 -37.402 1.00 0.00 C ATOM 1287 CE LYS A 119 -5.931 2.794 -38.544 1.00 0.00 C ATOM 1288 NZ LYS A 119 -7.153 3.460 -38.011 1.00 0.00 N ATOM 0 H LYS A 119 -2.995 1.136 -33.357 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.735 3.808 -34.256 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.568 1.514 -35.508 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.094 1.106 -34.748 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.186 3.084 -35.757 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.656 3.649 -36.399 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.502 1.414 -37.685 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.159 1.113 -37.201 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.175 3.526 -38.830 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -6.158 2.206 -39.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -7.757 3.763 -38.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -7.678 2.793 -37.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.878 4.290 -37.448 1.00 0.00 H new ATOM 1302 N PHE A 120 -5.578 2.493 -31.978 1.00 0.00 N ATOM 1303 CA PHE A 120 -6.775 2.794 -31.135 1.00 0.00 C ATOM 1304 C PHE A 120 -6.383 3.753 -30.011 1.00 0.00 C ATOM 1305 O PHE A 120 -6.978 3.765 -28.952 1.00 0.00 O ATOM 1306 CB PHE A 120 -7.284 1.460 -30.553 1.00 0.00 C ATOM 1307 CG PHE A 120 -6.153 0.492 -30.298 1.00 0.00 C ATOM 1308 CD1 PHE A 120 -5.697 -0.352 -31.317 1.00 0.00 C ATOM 1309 CD2 PHE A 120 -5.579 0.426 -29.027 1.00 0.00 C ATOM 1310 CE1 PHE A 120 -4.661 -1.262 -31.061 1.00 0.00 C ATOM 1311 CE2 PHE A 120 -4.542 -0.480 -28.769 1.00 0.00 C ATOM 1312 CZ PHE A 120 -4.083 -1.324 -29.787 1.00 0.00 C ATOM 0 H PHE A 120 -4.966 1.756 -31.627 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.559 3.267 -31.726 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -7.817 1.650 -29.621 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.998 1.011 -31.243 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -6.142 -0.303 -32.300 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -5.935 1.075 -28.241 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -4.309 -1.915 -31.846 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -4.097 -0.527 -27.786 1.00 0.00 H new ATOM 0 HZ PHE A 120 -3.283 -2.023 -29.590 1.00 0.00 H new ATOM 1322 N GLY A 121 -5.386 4.565 -30.239 1.00 0.00 N ATOM 1323 CA GLY A 121 -4.955 5.533 -29.192 1.00 0.00 C ATOM 1324 C GLY A 121 -3.650 5.058 -28.554 1.00 0.00 C ATOM 1325 O GLY A 121 -2.982 4.179 -29.061 1.00 0.00 O ATOM 0 H GLY A 121 -4.851 4.599 -31.107 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -4.817 6.521 -29.632 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.729 5.628 -28.431 1.00 0.00 H new ATOM 1329 N TYR A 122 -3.284 5.634 -27.442 1.00 0.00 N ATOM 1330 CA TYR A 122 -2.026 5.218 -26.764 1.00 0.00 C ATOM 1331 C TYR A 122 -2.346 4.624 -25.392 1.00 0.00 C ATOM 1332 O TYR A 122 -3.353 4.944 -24.792 1.00 0.00 O ATOM 1333 CB TYR A 122 -1.193 6.497 -26.638 1.00 0.00 C ATOM 1334 CG TYR A 122 -1.842 7.465 -25.675 1.00 0.00 C ATOM 1335 CD1 TYR A 122 -2.935 8.248 -26.075 1.00 0.00 C ATOM 1336 CD2 TYR A 122 -1.332 7.589 -24.379 1.00 0.00 C ATOM 1337 CE1 TYR A 122 -3.512 9.151 -25.171 1.00 0.00 C ATOM 1338 CE2 TYR A 122 -1.910 8.489 -23.480 1.00 0.00 C ATOM 1339 CZ TYR A 122 -2.998 9.270 -23.876 1.00 0.00 C ATOM 1340 OH TYR A 122 -3.569 10.159 -22.988 1.00 0.00 O ATOM 0 H TYR A 122 -3.804 6.376 -26.974 1.00 0.00 H new ATOM 0 HA TYR A 122 -1.486 4.450 -27.318 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -0.189 6.250 -26.292 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -1.087 6.966 -27.616 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -3.331 8.156 -27.076 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -0.489 6.988 -24.072 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -4.354 9.755 -25.475 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -1.515 8.581 -22.479 1.00 0.00 H new ATOM 0 HH TYR A 122 -4.493 10.344 -23.259 1.00 0.00 H new ATOM 1350 N HIS A 123 -1.516 3.745 -24.893 1.00 0.00 N ATOM 1351 CA HIS A 123 -1.815 3.128 -23.569 1.00 0.00 C ATOM 1352 C HIS A 123 -0.591 3.089 -22.657 1.00 0.00 C ATOM 1353 O HIS A 123 0.482 2.684 -23.053 1.00 0.00 O ATOM 1354 CB HIS A 123 -2.223 1.687 -23.876 1.00 0.00 C ATOM 1355 CG HIS A 123 -3.150 1.641 -25.052 1.00 0.00 C ATOM 1356 ND1 HIS A 123 -4.403 1.062 -24.970 1.00 0.00 N ATOM 1357 CD2 HIS A 123 -3.020 2.077 -26.348 1.00 0.00 C ATOM 1358 CE1 HIS A 123 -4.975 1.161 -26.179 1.00 0.00 C ATOM 1359 NE2 HIS A 123 -4.176 1.772 -27.059 1.00 0.00 N ATOM 0 H HIS A 123 -0.654 3.431 -25.340 1.00 0.00 H new ATOM 0 HA HIS A 123 -2.583 3.707 -23.056 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -1.336 1.088 -24.082 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -2.709 1.248 -23.005 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -2.154 2.579 -26.753 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -5.962 0.791 -26.413 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -4.372 1.972 -28.040 1.00 0.00 H new ATOM 1367 N ILE A 124 -0.772 3.430 -21.413 1.00 0.00 N ATOM 1368 CA ILE A 124 0.356 3.325 -20.444 1.00 0.00 C ATOM 1369 C ILE A 124 -0.118 2.378 -19.342 1.00 0.00 C ATOM 1370 O ILE A 124 -1.019 2.688 -18.587 1.00 0.00 O ATOM 1371 CB ILE A 124 0.621 4.736 -19.919 1.00 0.00 C ATOM 1372 CG1 ILE A 124 1.955 4.745 -19.169 1.00 0.00 C ATOM 1373 CG2 ILE A 124 -0.500 5.145 -18.976 1.00 0.00 C ATOM 1374 CD1 ILE A 124 2.422 6.186 -18.960 1.00 0.00 C ATOM 0 H ILE A 124 -1.649 3.776 -21.025 1.00 0.00 H new ATOM 0 HA ILE A 124 1.280 2.938 -20.873 1.00 0.00 H new ATOM 0 HB ILE A 124 0.663 5.439 -20.751 1.00 0.00 H new ATOM 0 HG12 ILE A 124 1.845 4.246 -18.206 1.00 0.00 H new ATOM 0 HG13 ILE A 124 2.704 4.189 -19.733 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -0.311 6.151 -18.601 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -1.450 5.129 -19.511 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -0.544 4.448 -18.139 1.00 0.00 H new ATOM 0 HD11 ILE A 124 3.372 6.187 -18.426 1.00 0.00 H new ATOM 0 HD12 ILE A 124 2.550 6.671 -19.928 1.00 0.00 H new ATOM 0 HD13 ILE A 124 1.678 6.729 -18.377 1.00 0.00 H new ATOM 1386 N ILE A 125 0.423 1.196 -19.288 1.00 0.00 N ATOM 1387 CA ILE A 125 -0.073 0.211 -18.287 1.00 0.00 C ATOM 1388 C ILE A 125 0.900 -0.019 -17.133 1.00 0.00 C ATOM 1389 O ILE A 125 2.095 0.174 -17.242 1.00 0.00 O ATOM 1390 CB ILE A 125 -0.232 -1.081 -19.080 1.00 0.00 C ATOM 1391 CG1 ILE A 125 1.154 -1.623 -19.430 1.00 0.00 C ATOM 1392 CG2 ILE A 125 -1.009 -0.811 -20.371 1.00 0.00 C ATOM 1393 CD1 ILE A 125 1.009 -2.995 -20.082 1.00 0.00 C ATOM 0 H ILE A 125 1.181 0.869 -19.887 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.992 0.569 -17.824 1.00 0.00 H new ATOM 0 HB ILE A 125 -0.779 -1.808 -18.480 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.665 -0.938 -20.107 1.00 0.00 H new ATOM 0 HG13 ILE A 125 1.766 -1.698 -18.531 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.118 -1.740 -20.931 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.995 -0.417 -20.126 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.468 -0.084 -20.976 1.00 0.00 H new ATOM 0 HD11 ILE A 125 1.996 -3.385 -20.333 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.515 -3.677 -19.389 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.413 -2.905 -20.990 1.00 0.00 H new ATOM 1405 N MET A 126 0.367 -0.480 -16.034 1.00 0.00 N ATOM 1406 CA MET A 126 1.194 -0.799 -14.841 1.00 0.00 C ATOM 1407 C MET A 126 0.972 -2.277 -14.513 1.00 0.00 C ATOM 1408 O MET A 126 -0.151 -2.715 -14.361 1.00 0.00 O ATOM 1409 CB MET A 126 0.649 0.094 -13.725 1.00 0.00 C ATOM 1410 CG MET A 126 1.313 -0.287 -12.403 1.00 0.00 C ATOM 1411 SD MET A 126 0.555 0.651 -11.052 1.00 0.00 S ATOM 1412 CE MET A 126 2.081 1.043 -10.162 1.00 0.00 C ATOM 0 H MET A 126 -0.631 -0.652 -15.913 1.00 0.00 H new ATOM 0 HA MET A 126 2.261 -0.630 -14.984 1.00 0.00 H new ATOM 0 HB2 MET A 126 0.844 1.142 -13.954 1.00 0.00 H new ATOM 0 HB3 MET A 126 -0.432 -0.020 -13.648 1.00 0.00 H new ATOM 0 HG2 MET A 126 1.203 -1.356 -12.224 1.00 0.00 H new ATOM 0 HG3 MET A 126 2.382 -0.080 -12.448 1.00 0.00 H new ATOM 0 HE1 MET A 126 1.844 1.630 -9.275 1.00 0.00 H new ATOM 0 HE2 MET A 126 2.576 0.119 -9.864 1.00 0.00 H new ATOM 0 HE3 MET A 126 2.743 1.617 -10.810 1.00 0.00 H new ATOM 1422 N VAL A 127 2.008 -3.064 -14.437 1.00 0.00 N ATOM 1423 CA VAL A 127 1.784 -4.515 -14.159 1.00 0.00 C ATOM 1424 C VAL A 127 2.256 -4.907 -12.758 1.00 0.00 C ATOM 1425 O VAL A 127 3.415 -4.779 -12.418 1.00 0.00 O ATOM 1426 CB VAL A 127 2.588 -5.258 -15.227 1.00 0.00 C ATOM 1427 CG1 VAL A 127 1.935 -5.054 -16.595 1.00 0.00 C ATOM 1428 CG2 VAL A 127 4.018 -4.718 -15.265 1.00 0.00 C ATOM 0 H VAL A 127 2.980 -2.777 -14.552 1.00 0.00 H new ATOM 0 HA VAL A 127 0.723 -4.762 -14.193 1.00 0.00 H new ATOM 0 HB VAL A 127 2.607 -6.321 -14.986 1.00 0.00 H new ATOM 0 HG11 VAL A 127 2.509 -5.584 -17.355 1.00 0.00 H new ATOM 0 HG12 VAL A 127 0.917 -5.442 -16.573 1.00 0.00 H new ATOM 0 HG13 VAL A 127 1.913 -3.990 -16.833 1.00 0.00 H new ATOM 0 HG21 VAL A 127 4.588 -5.250 -16.027 1.00 0.00 H new ATOM 0 HG22 VAL A 127 3.999 -3.654 -15.502 1.00 0.00 H new ATOM 0 HG23 VAL A 127 4.488 -4.864 -14.293 1.00 0.00 H new ATOM 1438 N GLU A 128 1.357 -5.412 -11.957 1.00 0.00 N ATOM 1439 CA GLU A 128 1.730 -5.849 -10.583 1.00 0.00 C ATOM 1440 C GLU A 128 1.539 -7.364 -10.470 1.00 0.00 C ATOM 1441 O GLU A 128 0.685 -7.937 -11.116 1.00 0.00 O ATOM 1442 CB GLU A 128 0.767 -5.118 -9.645 1.00 0.00 C ATOM 1443 CG GLU A 128 1.152 -5.414 -8.194 1.00 0.00 C ATOM 1444 CD GLU A 128 0.189 -4.693 -7.248 1.00 0.00 C ATOM 1445 OE1 GLU A 128 -1.005 -4.754 -7.489 1.00 0.00 O ATOM 1446 OE2 GLU A 128 0.664 -4.093 -6.298 1.00 0.00 O ATOM 0 H GLU A 128 0.374 -5.541 -12.198 1.00 0.00 H new ATOM 0 HA GLU A 128 2.768 -5.623 -10.339 1.00 0.00 H new ATOM 0 HB2 GLU A 128 0.804 -4.045 -9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -0.257 -5.439 -9.834 1.00 0.00 H new ATOM 0 HG2 GLU A 128 1.121 -6.488 -8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 128 2.175 -5.088 -8.005 1.00 0.00 H new ATOM 1453 N GLY A 129 2.323 -8.017 -9.663 1.00 0.00 N ATOM 1454 CA GLY A 129 2.175 -9.492 -9.525 1.00 0.00 C ATOM 1455 C GLY A 129 2.106 -10.135 -10.913 1.00 0.00 C ATOM 1456 O GLY A 129 1.055 -10.210 -11.524 1.00 0.00 O ATOM 0 H GLY A 129 3.058 -7.597 -9.094 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.016 -9.901 -8.965 1.00 0.00 H new ATOM 0 HA3 GLY A 129 1.273 -9.726 -8.960 1.00 0.00 H new ATOM 1460 N ARG A 130 3.220 -10.602 -11.411 1.00 0.00 N ATOM 1461 CA ARG A 130 3.234 -11.250 -12.756 1.00 0.00 C ATOM 1462 C ARG A 130 3.984 -12.584 -12.679 1.00 0.00 C ATOM 1463 O ARG A 130 4.874 -12.755 -11.869 1.00 0.00 O ATOM 1464 CB ARG A 130 3.975 -10.267 -13.665 1.00 0.00 C ATOM 1465 CG ARG A 130 3.909 -10.759 -15.113 1.00 0.00 C ATOM 1466 CD ARG A 130 5.305 -11.188 -15.573 1.00 0.00 C ATOM 1467 NE ARG A 130 6.123 -9.944 -15.537 1.00 0.00 N ATOM 1468 CZ ARG A 130 7.330 -9.943 -16.031 1.00 0.00 C ATOM 1469 NH1 ARG A 130 8.085 -11.001 -15.917 1.00 0.00 N ATOM 1470 NH2 ARG A 130 7.784 -8.881 -16.640 1.00 0.00 N ATOM 0 H ARG A 130 4.125 -10.563 -10.942 1.00 0.00 H new ATOM 0 HA ARG A 130 2.232 -11.464 -13.127 1.00 0.00 H new ATOM 0 HB2 ARG A 130 3.529 -9.276 -13.586 1.00 0.00 H new ATOM 0 HB3 ARG A 130 5.014 -10.175 -13.348 1.00 0.00 H new ATOM 0 HG2 ARG A 130 3.216 -11.596 -15.192 1.00 0.00 H new ATOM 0 HG3 ARG A 130 3.529 -9.968 -15.760 1.00 0.00 H new ATOM 0 HD2 ARG A 130 5.720 -11.952 -14.915 1.00 0.00 H new ATOM 0 HD3 ARG A 130 5.277 -11.613 -16.577 1.00 0.00 H new ATOM 0 HE ARG A 130 5.739 -9.093 -15.126 1.00 0.00 H new ATOM 0 HH11 ARG A 130 7.731 -11.831 -15.441 1.00 0.00 H new ATOM 0 HH12 ARG A 130 9.029 -10.998 -16.304 1.00 0.00 H new ATOM 0 HH21 ARG A 130 7.195 -8.053 -16.729 1.00 0.00 H new ATOM 0 HH22 ARG A 130 8.728 -8.879 -17.027 1.00 0.00 H new ATOM 1484 N LYS A 131 3.636 -13.533 -13.505 1.00 0.00 N ATOM 1485 CA LYS A 131 4.339 -14.848 -13.458 1.00 0.00 C ATOM 1486 C LYS A 131 5.853 -14.641 -13.559 1.00 0.00 C ATOM 1487 O LYS A 131 6.311 -14.272 -14.628 1.00 0.00 O ATOM 1488 CB LYS A 131 3.825 -15.630 -14.667 1.00 0.00 C ATOM 1489 CG LYS A 131 4.331 -17.073 -14.586 1.00 0.00 C ATOM 1490 CD LYS A 131 3.626 -17.928 -15.640 1.00 0.00 C ATOM 1491 CE LYS A 131 4.126 -19.372 -15.542 1.00 0.00 C ATOM 1492 NZ LYS A 131 3.364 -20.117 -16.581 1.00 0.00 N ATOM 1493 OXT LYS A 131 6.528 -14.856 -12.565 1.00 0.00 O ATOM 0 H LYS A 131 2.900 -13.456 -14.207 1.00 0.00 H new ATOM 0 HA LYS A 131 4.149 -15.379 -12.525 1.00 0.00 H new ATOM 0 HB2 LYS A 131 2.735 -15.615 -14.688 1.00 0.00 H new ATOM 0 HB3 LYS A 131 4.168 -15.163 -15.590 1.00 0.00 H new ATOM 0 HG2 LYS A 131 5.409 -17.100 -14.744 1.00 0.00 H new ATOM 0 HG3 LYS A 131 4.145 -17.478 -13.591 1.00 0.00 H new ATOM 0 HD2 LYS A 131 2.547 -17.894 -15.489 1.00 0.00 H new ATOM 0 HD3 LYS A 131 3.821 -17.531 -16.636 1.00 0.00 H new ATOM 0 HE2 LYS A 131 5.199 -19.431 -15.722 1.00 0.00 H new ATOM 0 HE3 LYS A 131 3.946 -19.785 -14.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 3.653 -21.116 -16.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 2.346 -20.050 -16.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 3.560 -19.707 -17.516 1.00 0.00 H new