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 Single : A 36 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.013) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-0.16) USER MOD Single : A 45 CYS SG : rot 180:sc= -0.719 USER MOD Single : A 47 LYS NZ :NH3+ -159:sc= -0.0115 (180deg=-0.509) USER MOD Single : A 48 HIS : no HE2:sc= -9.9! C(o=-9.9!,f=-18!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -157:sc= -0.124 (180deg=-0.858) USER MOD Single : A 55 MET CE :methyl 149:sc= -0.123 (180deg=-0.757) 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 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -5.37! C(o=-5.4!,f=-10!) USER MOD Single : A 70 GLN : amide:sc= -3.13 K(o=-3.1,f=-0.67) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 170:sc= -1.16 USER MOD Single : A 75 LYS NZ :NH3+ 147:sc= -0.179 (180deg=-0.865) USER MOD Single : A 78 GLN : amide:sc= -1.97! K(o=-2!,f=-0.92) USER MOD Single : A 85 MET CE :methyl -158:sc= -2.98 (180deg=-4.2!) USER MOD Single : A 86 THR OG1 : rot -177:sc= -6.24! USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -3.9! C(o=-3.9!,f=-6.2!) USER MOD Single : A 112 THR OG1 : rot 32:sc= 1.13 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -120:sc= -1.14 USER MOD Single : A 119 LYS NZ :NH3+ -155:sc= -0.437 (180deg=-2.12!) USER MOD Single : A 122 TYR OH : rot -20:sc= -3.17! USER MOD Single : A 123 HIS : no HE2:sc= -19.6! C(o=-20!,f=-21!) USER MOD Single : A 126 MET CE :methyl 164:sc= -0.149 (180deg=-0.755) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 36 -1.813 -17.814 -12.181 1.00 0.00 N ATOM 2 CA ASN A 36 -1.137 -17.862 -13.510 1.00 0.00 C ATOM 3 C ASN A 36 -1.302 -16.523 -14.233 1.00 0.00 C ATOM 4 O ASN A 36 -0.568 -16.205 -15.147 1.00 0.00 O ATOM 5 CB ASN A 36 -1.852 -18.976 -14.277 1.00 0.00 C ATOM 6 CG ASN A 36 -1.241 -19.110 -15.673 1.00 0.00 C ATOM 7 OD1 ASN A 36 -0.115 -19.541 -15.817 1.00 0.00 O ATOM 8 ND2 ASN A 36 -1.942 -18.755 -16.716 1.00 0.00 N ATOM 0 HA ASN A 36 -0.066 -18.048 -13.424 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.762 -19.919 -13.737 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.916 -18.753 -14.354 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.544 -18.840 -17.651 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.888 -18.393 -16.596 1.00 0.00 H new ATOM 15 N ALA A 37 -2.264 -15.739 -13.833 1.00 0.00 N ATOM 16 CA ALA A 37 -2.479 -14.426 -14.494 1.00 0.00 C ATOM 17 C ALA A 37 -1.676 -13.337 -13.785 1.00 0.00 C ATOM 18 O ALA A 37 -0.847 -13.607 -12.938 1.00 0.00 O ATOM 19 CB ALA A 37 -3.978 -14.159 -14.356 1.00 0.00 C ATOM 0 H ALA A 37 -2.911 -15.954 -13.074 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.156 -14.430 -15.535 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.222 -13.204 -14.821 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.536 -14.955 -14.849 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.246 -14.128 -13.300 1.00 0.00 H new ATOM 25 N VAL A 38 -1.914 -12.109 -14.136 1.00 0.00 N ATOM 26 CA VAL A 38 -1.171 -10.984 -13.502 1.00 0.00 C ATOM 27 C VAL A 38 -2.104 -9.781 -13.328 1.00 0.00 C ATOM 28 O VAL A 38 -3.025 -9.587 -14.090 1.00 0.00 O ATOM 29 CB VAL A 38 -0.046 -10.666 -14.490 1.00 0.00 C ATOM 30 CG1 VAL A 38 -0.601 -10.659 -15.913 1.00 0.00 C ATOM 31 CG2 VAL A 38 0.546 -9.294 -14.174 1.00 0.00 C ATOM 0 H VAL A 38 -2.597 -11.831 -14.841 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.786 -11.230 -12.512 1.00 0.00 H new ATOM 0 HB VAL A 38 0.731 -11.426 -14.403 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.201 -10.432 -16.615 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.020 -11.638 -16.145 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.380 -9.902 -15.996 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.346 -9.072 -14.880 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.232 -8.535 -14.256 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.946 -9.295 -13.160 1.00 0.00 H new ATOM 41 N LYS A 39 -1.865 -8.957 -12.349 1.00 0.00 N ATOM 42 CA LYS A 39 -2.744 -7.765 -12.162 1.00 0.00 C ATOM 43 C LYS A 39 -2.063 -6.538 -12.763 1.00 0.00 C ATOM 44 O LYS A 39 -0.907 -6.271 -12.506 1.00 0.00 O ATOM 45 CB LYS A 39 -2.912 -7.616 -10.649 1.00 0.00 C ATOM 46 CG LYS A 39 -3.849 -8.711 -10.138 1.00 0.00 C ATOM 47 CD LYS A 39 -4.218 -8.431 -8.679 1.00 0.00 C ATOM 48 CE LYS A 39 -2.956 -8.475 -7.816 1.00 0.00 C ATOM 49 NZ LYS A 39 -3.451 -8.581 -6.415 1.00 0.00 N ATOM 0 H LYS A 39 -1.107 -9.053 -11.674 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.711 -7.872 -12.653 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.943 -7.689 -10.154 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.318 -6.633 -10.411 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.750 -8.748 -10.751 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.366 -9.685 -10.221 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.695 -7.455 -8.594 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.938 -9.169 -8.327 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.328 -9.326 -8.078 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.352 -7.578 -7.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.642 -8.616 -5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.040 -7.754 -6.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.017 -9.447 -6.311 1.00 0.00 H new ATOM 63 N VAL A 40 -2.761 -5.802 -13.585 1.00 0.00 N ATOM 64 CA VAL A 40 -2.122 -4.613 -14.215 1.00 0.00 C ATOM 65 C VAL A 40 -3.070 -3.416 -14.272 1.00 0.00 C ATOM 66 O VAL A 40 -4.237 -3.539 -14.590 1.00 0.00 O ATOM 67 CB VAL A 40 -1.768 -5.068 -15.631 1.00 0.00 C ATOM 68 CG1 VAL A 40 -3.025 -5.098 -16.502 1.00 0.00 C ATOM 69 CG2 VAL A 40 -0.751 -4.099 -16.239 1.00 0.00 C ATOM 0 H VAL A 40 -3.733 -5.970 -13.845 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.256 -4.282 -13.642 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.340 -6.070 -15.587 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.762 -5.423 -17.509 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.748 -5.792 -16.073 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.461 -4.100 -16.545 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.498 -4.423 -17.249 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.180 -3.098 -16.276 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.150 -4.086 -15.626 1.00 0.00 H new ATOM 79 N ARG A 41 -2.554 -2.251 -14.004 1.00 0.00 N ATOM 80 CA ARG A 41 -3.387 -1.024 -14.078 1.00 0.00 C ATOM 81 C ARG A 41 -2.904 -0.202 -15.272 1.00 0.00 C ATOM 82 O ARG A 41 -1.741 0.134 -15.365 1.00 0.00 O ATOM 83 CB ARG A 41 -3.139 -0.282 -12.764 1.00 0.00 C ATOM 84 CG ARG A 41 -3.791 -1.054 -11.614 1.00 0.00 C ATOM 85 CD ARG A 41 -3.676 -0.244 -10.320 1.00 0.00 C ATOM 86 NE ARG A 41 -4.047 -1.197 -9.237 1.00 0.00 N ATOM 87 CZ ARG A 41 -5.219 -1.116 -8.666 1.00 0.00 C ATOM 88 NH1 ARG A 41 -5.701 0.050 -8.329 1.00 0.00 N ATOM 89 NH2 ARG A 41 -5.907 -2.199 -8.432 1.00 0.00 N ATOM 0 H ARG A 41 -1.582 -2.096 -13.735 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.450 -1.225 -14.209 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.068 -0.180 -12.587 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.550 0.726 -12.819 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.839 -1.248 -11.841 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.307 -2.023 -11.493 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.664 0.137 -10.181 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.343 0.618 -10.333 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.385 -1.914 -8.941 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.162 0.897 -8.512 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.616 0.114 -7.883 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.530 -3.110 -8.695 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.822 -2.135 -7.986 1.00 0.00 H new ATOM 103 N HIS A 42 -3.762 0.098 -16.205 1.00 0.00 N ATOM 104 CA HIS A 42 -3.297 0.862 -17.395 1.00 0.00 C ATOM 105 C HIS A 42 -4.302 1.937 -17.797 1.00 0.00 C ATOM 106 O HIS A 42 -5.496 1.775 -17.657 1.00 0.00 O ATOM 107 CB HIS A 42 -3.167 -0.191 -18.504 1.00 0.00 C ATOM 108 CG HIS A 42 -4.518 -0.460 -19.123 1.00 0.00 C ATOM 109 ND1 HIS A 42 -4.838 -0.051 -20.409 1.00 0.00 N ATOM 110 CD2 HIS A 42 -5.640 -1.089 -18.641 1.00 0.00 C ATOM 111 CE1 HIS A 42 -6.105 -0.436 -20.655 1.00 0.00 C ATOM 112 NE2 HIS A 42 -6.639 -1.073 -19.610 1.00 0.00 N ATOM 0 H HIS A 42 -4.752 -0.148 -16.197 1.00 0.00 H new ATOM 0 HA HIS A 42 -2.361 1.384 -17.198 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.471 0.157 -19.267 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.756 -1.113 -18.094 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -5.733 -1.529 -17.659 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.625 -0.252 -21.583 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.578 -1.464 -19.537 1.00 0.00 H new ATOM 120 N ILE A 43 -3.824 3.022 -18.331 1.00 0.00 N ATOM 121 CA ILE A 43 -4.748 4.090 -18.781 1.00 0.00 C ATOM 122 C ILE A 43 -4.872 4.017 -20.299 1.00 0.00 C ATOM 123 O ILE A 43 -3.895 4.152 -21.020 1.00 0.00 O ATOM 124 CB ILE A 43 -4.101 5.407 -18.353 1.00 0.00 C ATOM 125 CG1 ILE A 43 -4.270 5.594 -16.843 1.00 0.00 C ATOM 126 CG2 ILE A 43 -4.772 6.569 -19.087 1.00 0.00 C ATOM 127 CD1 ILE A 43 -3.132 6.464 -16.305 1.00 0.00 C ATOM 0 H ILE A 43 -2.833 3.214 -18.475 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.747 3.994 -18.355 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.040 5.385 -18.600 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.231 6.061 -16.629 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.268 4.625 -16.344 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.310 7.508 -18.781 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.651 6.438 -20.162 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.834 6.590 -18.841 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.253 6.597 -15.230 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.177 5.979 -16.506 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.155 7.437 -16.796 1.00 0.00 H new ATOM 139 N LEU A 44 -6.060 3.794 -20.791 1.00 0.00 N ATOM 140 CA LEU A 44 -6.252 3.705 -22.263 1.00 0.00 C ATOM 141 C LEU A 44 -6.844 5.014 -22.782 1.00 0.00 C ATOM 142 O LEU A 44 -7.946 5.391 -22.438 1.00 0.00 O ATOM 143 CB LEU A 44 -7.223 2.543 -22.480 1.00 0.00 C ATOM 144 CG LEU A 44 -7.038 1.987 -23.893 1.00 0.00 C ATOM 145 CD1 LEU A 44 -7.659 0.593 -23.991 1.00 0.00 C ATOM 146 CD2 LEU A 44 -7.724 2.912 -24.894 1.00 0.00 C ATOM 0 H LEU A 44 -6.906 3.670 -20.235 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.316 3.540 -22.796 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.043 1.761 -21.743 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.250 2.881 -22.341 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.973 1.924 -24.115 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.523 0.204 -25.000 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.174 -0.073 -23.277 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.724 0.652 -23.766 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.594 2.518 -25.902 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.787 2.973 -24.663 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.282 3.906 -24.833 1.00 0.00 H new ATOM 158 N CYS A 45 -6.115 5.706 -23.608 1.00 0.00 N ATOM 159 CA CYS A 45 -6.626 6.995 -24.153 1.00 0.00 C ATOM 160 C CYS A 45 -6.495 6.997 -25.673 1.00 0.00 C ATOM 161 O CYS A 45 -5.785 6.194 -26.239 1.00 0.00 O ATOM 162 CB CYS A 45 -5.736 8.073 -23.534 1.00 0.00 C ATOM 163 SG CYS A 45 -6.224 9.695 -24.172 1.00 0.00 S ATOM 0 H CYS A 45 -5.186 5.436 -23.931 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.678 7.160 -23.918 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.826 8.055 -22.448 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.690 7.877 -23.770 1.00 0.00 H new ATOM 0 HG CYS A 45 -5.470 10.613 -23.645 1.00 0.00 H new ATOM 169 N GLU A 46 -7.180 7.886 -26.338 1.00 0.00 N ATOM 170 CA GLU A 46 -7.102 7.933 -27.826 1.00 0.00 C ATOM 171 C GLU A 46 -5.732 8.470 -28.280 1.00 0.00 C ATOM 172 O GLU A 46 -4.864 8.736 -27.471 1.00 0.00 O ATOM 173 CB GLU A 46 -8.243 8.862 -28.235 1.00 0.00 C ATOM 174 CG GLU A 46 -9.568 8.100 -28.162 1.00 0.00 C ATOM 175 CD GLU A 46 -10.668 8.911 -28.851 1.00 0.00 C ATOM 176 OE1 GLU A 46 -11.076 9.914 -28.290 1.00 0.00 O ATOM 177 OE2 GLU A 46 -11.084 8.514 -29.928 1.00 0.00 O ATOM 0 H GLU A 46 -7.792 8.584 -25.914 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.198 6.951 -28.288 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.273 9.731 -27.577 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.080 9.234 -29.247 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.466 7.127 -28.642 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.836 7.916 -27.122 1.00 0.00 H new ATOM 184 N LYS A 47 -5.516 8.592 -29.568 1.00 0.00 N ATOM 185 CA LYS A 47 -4.183 9.066 -30.070 1.00 0.00 C ATOM 186 C LYS A 47 -4.169 10.572 -30.381 1.00 0.00 C ATOM 187 O LYS A 47 -4.682 11.010 -31.392 1.00 0.00 O ATOM 188 CB LYS A 47 -3.954 8.269 -31.359 1.00 0.00 C ATOM 189 CG LYS A 47 -2.600 8.636 -31.964 1.00 0.00 C ATOM 190 CD LYS A 47 -1.926 7.376 -32.510 1.00 0.00 C ATOM 191 CE LYS A 47 -0.542 7.735 -33.054 1.00 0.00 C ATOM 192 NZ LYS A 47 -0.811 8.477 -34.317 1.00 0.00 N ATOM 0 H LYS A 47 -6.202 8.385 -30.294 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.409 8.914 -29.318 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.990 7.200 -31.147 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.750 8.479 -32.073 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.733 9.365 -32.763 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.967 9.102 -31.209 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.836 6.628 -31.722 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.536 6.937 -33.299 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.015 8.348 -32.346 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.054 6.842 -33.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.034 8.450 -34.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.609 8.035 -34.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.046 9.466 -34.096 1.00 0.00 H new ATOM 206 N HIS A 48 -3.568 11.362 -29.527 1.00 0.00 N ATOM 207 CA HIS A 48 -3.499 12.838 -29.779 1.00 0.00 C ATOM 208 C HIS A 48 -2.077 13.356 -29.546 1.00 0.00 C ATOM 209 O HIS A 48 -1.807 14.533 -29.673 1.00 0.00 O ATOM 210 CB HIS A 48 -4.444 13.473 -28.763 1.00 0.00 C ATOM 211 CG HIS A 48 -5.711 12.685 -28.705 1.00 0.00 C ATOM 212 ND1 HIS A 48 -6.257 12.082 -29.824 1.00 0.00 N ATOM 213 CD2 HIS A 48 -6.542 12.377 -27.668 1.00 0.00 C ATOM 214 CE1 HIS A 48 -7.368 11.442 -29.433 1.00 0.00 C ATOM 215 NE2 HIS A 48 -7.592 11.594 -28.126 1.00 0.00 N ATOM 0 H HIS A 48 -3.121 11.050 -28.665 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.773 13.078 -30.806 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -3.974 13.500 -27.780 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.657 14.505 -29.043 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -5.883 12.118 -30.772 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.404 12.695 -26.645 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.004 10.873 -30.095 1.00 0.00 H new ATOM 223 N GLY A 49 -1.170 12.489 -29.189 1.00 0.00 N ATOM 224 CA GLY A 49 0.230 12.934 -28.930 1.00 0.00 C ATOM 225 C GLY A 49 0.401 13.216 -27.433 1.00 0.00 C ATOM 226 O GLY A 49 1.380 13.794 -27.006 1.00 0.00 O ATOM 0 H GLY A 49 -1.337 11.490 -29.065 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.934 12.165 -29.250 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.452 13.831 -29.509 1.00 0.00 H new ATOM 230 N LYS A 50 -0.553 12.815 -26.633 1.00 0.00 N ATOM 231 CA LYS A 50 -0.462 13.058 -25.162 1.00 0.00 C ATOM 232 C LYS A 50 0.335 11.943 -24.476 1.00 0.00 C ATOM 233 O LYS A 50 0.455 11.913 -23.267 1.00 0.00 O ATOM 234 CB LYS A 50 -1.910 13.038 -24.671 1.00 0.00 C ATOM 235 CG LYS A 50 -2.673 14.233 -25.242 1.00 0.00 C ATOM 236 CD LYS A 50 -4.139 14.152 -24.808 1.00 0.00 C ATOM 237 CE LYS A 50 -4.874 15.425 -25.235 1.00 0.00 C ATOM 238 NZ LYS A 50 -6.277 15.239 -24.765 1.00 0.00 N ATOM 0 H LYS A 50 -1.396 12.327 -26.937 1.00 0.00 H new ATOM 0 HA LYS A 50 0.045 13.996 -24.937 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.393 12.109 -24.975 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.934 13.068 -23.582 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.229 15.164 -24.891 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.604 14.237 -26.330 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.613 13.279 -25.256 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.202 14.029 -23.727 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.422 16.310 -24.787 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.835 15.559 -26.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.843 16.073 -25.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.684 14.393 -25.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.284 15.121 -23.732 1.00 0.00 H new ATOM 252 N ILE A 51 0.870 11.021 -25.229 1.00 0.00 N ATOM 253 CA ILE A 51 1.644 9.907 -24.604 1.00 0.00 C ATOM 254 C ILE A 51 2.546 10.438 -23.484 1.00 0.00 C ATOM 255 O ILE A 51 2.509 9.960 -22.367 1.00 0.00 O ATOM 256 CB ILE A 51 2.494 9.319 -25.731 1.00 0.00 C ATOM 257 CG1 ILE A 51 1.601 8.545 -26.706 1.00 0.00 C ATOM 258 CG2 ILE A 51 3.530 8.367 -25.130 1.00 0.00 C ATOM 259 CD1 ILE A 51 2.377 8.271 -27.996 1.00 0.00 C ATOM 0 H ILE A 51 0.806 10.989 -26.246 1.00 0.00 H new ATOM 0 HA ILE A 51 0.985 9.162 -24.157 1.00 0.00 H new ATOM 0 HB ILE A 51 2.995 10.125 -26.267 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.280 7.606 -26.255 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.700 9.118 -26.925 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.140 7.943 -25.927 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.168 8.915 -24.436 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.020 7.564 -24.597 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.744 7.720 -28.692 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.676 9.216 -28.448 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.265 7.681 -27.768 1.00 0.00 H new ATOM 271 N MET A 52 3.363 11.414 -23.774 1.00 0.00 N ATOM 272 CA MET A 52 4.273 11.963 -22.724 1.00 0.00 C ATOM 273 C MET A 52 3.467 12.652 -21.617 1.00 0.00 C ATOM 274 O MET A 52 3.725 12.467 -20.444 1.00 0.00 O ATOM 275 CB MET A 52 5.153 12.978 -23.456 1.00 0.00 C ATOM 276 CG MET A 52 5.996 12.262 -24.511 1.00 0.00 C ATOM 277 SD MET A 52 6.995 10.977 -23.718 1.00 0.00 S ATOM 278 CE MET A 52 8.127 12.080 -22.836 1.00 0.00 C ATOM 0 H MET A 52 3.441 11.855 -24.690 1.00 0.00 H new ATOM 0 HA MET A 52 4.860 11.181 -22.242 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.532 13.739 -23.928 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.801 13.491 -22.746 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.350 11.819 -25.269 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.642 12.976 -25.021 1.00 0.00 H new ATOM 0 HE1 MET A 52 9.053 11.550 -22.615 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.345 12.949 -23.456 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.665 12.406 -21.904 1.00 0.00 H new ATOM 288 N GLU A 53 2.503 13.450 -21.979 1.00 0.00 N ATOM 289 CA GLU A 53 1.692 14.157 -20.944 1.00 0.00 C ATOM 290 C GLU A 53 1.022 13.154 -20.000 1.00 0.00 C ATOM 291 O GLU A 53 1.071 13.296 -18.794 1.00 0.00 O ATOM 292 CB GLU A 53 0.634 14.929 -21.733 1.00 0.00 C ATOM 293 CG GLU A 53 1.291 16.113 -22.445 1.00 0.00 C ATOM 294 CD GLU A 53 0.301 16.721 -23.442 1.00 0.00 C ATOM 295 OE1 GLU A 53 -0.771 16.159 -23.599 1.00 0.00 O ATOM 296 OE2 GLU A 53 0.633 17.735 -24.032 1.00 0.00 O ATOM 0 H GLU A 53 2.240 13.645 -22.945 1.00 0.00 H new ATOM 0 HA GLU A 53 2.306 14.810 -20.323 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.157 14.273 -22.461 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.149 15.283 -21.062 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.598 16.864 -21.717 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.192 15.785 -22.964 1.00 0.00 H new ATOM 303 N ALA A 54 0.392 12.147 -20.536 1.00 0.00 N ATOM 304 CA ALA A 54 -0.288 11.145 -19.666 1.00 0.00 C ATOM 305 C ALA A 54 0.717 10.490 -18.714 1.00 0.00 C ATOM 306 O ALA A 54 0.595 10.586 -17.509 1.00 0.00 O ATOM 307 CB ALA A 54 -0.865 10.111 -20.633 1.00 0.00 C ATOM 0 H ALA A 54 0.318 11.973 -21.538 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.059 11.598 -19.043 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.384 9.336 -20.069 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.566 10.598 -21.310 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.057 9.661 -21.209 1.00 0.00 H new ATOM 313 N MET A 55 1.704 9.821 -19.241 1.00 0.00 N ATOM 314 CA MET A 55 2.706 9.155 -18.361 1.00 0.00 C ATOM 315 C MET A 55 3.471 10.192 -17.528 1.00 0.00 C ATOM 316 O MET A 55 3.806 9.953 -16.385 1.00 0.00 O ATOM 317 CB MET A 55 3.645 8.423 -19.320 1.00 0.00 C ATOM 318 CG MET A 55 4.232 9.417 -20.324 1.00 0.00 C ATOM 319 SD MET A 55 5.876 9.935 -19.771 1.00 0.00 S ATOM 320 CE MET A 55 6.735 8.383 -20.128 1.00 0.00 C ATOM 0 H MET A 55 1.861 9.706 -20.242 1.00 0.00 H new ATOM 0 HA MET A 55 2.240 8.475 -17.648 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.446 7.939 -18.761 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.103 7.637 -19.846 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.296 8.958 -21.311 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.578 10.284 -20.418 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.771 8.593 -20.395 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.710 7.742 -19.247 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.242 7.877 -20.958 1.00 0.00 H new ATOM 330 N GLU A 56 3.747 11.340 -18.085 1.00 0.00 N ATOM 331 CA GLU A 56 4.485 12.381 -17.311 1.00 0.00 C ATOM 332 C GLU A 56 3.577 12.971 -16.228 1.00 0.00 C ATOM 333 O GLU A 56 4.035 13.422 -15.197 1.00 0.00 O ATOM 334 CB GLU A 56 4.860 13.454 -18.336 1.00 0.00 C ATOM 335 CG GLU A 56 5.695 14.543 -17.657 1.00 0.00 C ATOM 336 CD GLU A 56 7.049 13.966 -17.238 1.00 0.00 C ATOM 337 OE1 GLU A 56 7.270 12.791 -17.478 1.00 0.00 O ATOM 338 OE2 GLU A 56 7.842 14.710 -16.683 1.00 0.00 O ATOM 0 H GLU A 56 3.495 11.602 -19.038 1.00 0.00 H new ATOM 0 HA GLU A 56 5.364 11.976 -16.809 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.423 13.008 -19.155 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.959 13.889 -18.768 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.841 15.381 -18.338 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.167 14.929 -16.785 1.00 0.00 H new ATOM 345 N LYS A 57 2.293 12.971 -16.457 1.00 0.00 N ATOM 346 CA LYS A 57 1.352 13.532 -15.446 1.00 0.00 C ATOM 347 C LYS A 57 1.203 12.569 -14.264 1.00 0.00 C ATOM 348 O LYS A 57 1.048 12.983 -13.131 1.00 0.00 O ATOM 349 CB LYS A 57 0.022 13.682 -16.186 1.00 0.00 C ATOM 350 CG LYS A 57 -1.062 14.138 -15.207 1.00 0.00 C ATOM 351 CD LYS A 57 -0.754 15.559 -14.729 1.00 0.00 C ATOM 352 CE LYS A 57 -1.070 15.672 -13.235 1.00 0.00 C ATOM 353 NZ LYS A 57 -0.471 16.969 -12.812 1.00 0.00 N ATOM 0 H LYS A 57 1.854 12.606 -17.302 1.00 0.00 H new ATOM 0 HA LYS A 57 1.703 14.480 -15.038 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.124 14.406 -16.994 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.261 12.733 -16.642 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.039 14.109 -15.690 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.107 13.459 -14.356 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.295 15.796 -14.909 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.345 16.280 -15.293 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.145 15.657 -13.057 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.643 14.839 -12.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.646 17.118 -11.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.554 16.952 -12.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.902 17.744 -13.355 1.00 0.00 H new ATOM 367 N LEU A 58 1.245 11.288 -14.515 1.00 0.00 N ATOM 368 CA LEU A 58 1.101 10.308 -13.400 1.00 0.00 C ATOM 369 C LEU A 58 2.479 9.940 -12.838 1.00 0.00 C ATOM 370 O LEU A 58 2.594 9.416 -11.747 1.00 0.00 O ATOM 371 CB LEU A 58 0.426 9.085 -14.025 1.00 0.00 C ATOM 372 CG LEU A 58 1.361 8.452 -15.056 1.00 0.00 C ATOM 373 CD1 LEU A 58 2.175 7.344 -14.390 1.00 0.00 C ATOM 374 CD2 LEU A 58 0.535 7.856 -16.197 1.00 0.00 C ATOM 0 H LEU A 58 1.372 10.879 -15.441 1.00 0.00 H new ATOM 0 HA LEU A 58 0.519 10.709 -12.571 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.178 8.359 -13.251 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.511 9.377 -14.500 1.00 0.00 H new ATOM 0 HG LEU A 58 2.033 9.213 -15.452 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.842 6.892 -15.124 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.764 7.765 -13.575 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.501 6.584 -13.996 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.202 7.405 -16.932 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.137 7.094 -15.801 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.050 8.643 -16.673 1.00 0.00 H new ATOM 386 N LYS A 59 3.522 10.217 -13.569 1.00 0.00 N ATOM 387 CA LYS A 59 4.890 9.891 -13.072 1.00 0.00 C ATOM 388 C LYS A 59 4.914 8.494 -12.438 1.00 0.00 C ATOM 389 O LYS A 59 4.371 7.551 -12.978 1.00 0.00 O ATOM 390 CB LYS A 59 5.190 10.970 -12.031 1.00 0.00 C ATOM 391 CG LYS A 59 5.098 12.349 -12.687 1.00 0.00 C ATOM 392 CD LYS A 59 5.173 13.434 -11.612 1.00 0.00 C ATOM 393 CE LYS A 59 6.539 14.120 -11.676 1.00 0.00 C ATOM 394 NZ LYS A 59 6.566 15.029 -10.497 1.00 0.00 N ATOM 0 H LYS A 59 3.488 10.655 -14.489 1.00 0.00 H new ATOM 0 HA LYS A 59 5.631 9.877 -13.871 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.483 10.900 -11.205 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.185 10.820 -11.612 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.909 12.477 -13.404 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.164 12.437 -13.243 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.379 14.166 -11.762 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.020 12.995 -10.626 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.349 13.392 -11.632 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.659 14.675 -12.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.473 15.537 -10.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.787 15.715 -10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.456 14.471 -9.626 1.00 0.00 H new ATOM 408 N SER A 60 5.545 8.351 -11.302 1.00 0.00 N ATOM 409 CA SER A 60 5.606 7.012 -10.645 1.00 0.00 C ATOM 410 C SER A 60 4.197 6.469 -10.391 1.00 0.00 C ATOM 411 O SER A 60 3.990 5.275 -10.302 1.00 0.00 O ATOM 412 CB SER A 60 6.334 7.252 -9.323 1.00 0.00 C ATOM 413 OG SER A 60 5.547 8.105 -8.503 1.00 0.00 O ATOM 0 H SER A 60 6.020 9.102 -10.801 1.00 0.00 H new ATOM 0 HA SER A 60 6.116 6.276 -11.267 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.513 6.304 -8.816 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.309 7.704 -9.508 1.00 0.00 H new ATOM 0 HG SER A 60 6.010 8.260 -7.653 1.00 0.00 H new ATOM 419 N GLY A 61 3.223 7.332 -10.279 1.00 0.00 N ATOM 420 CA GLY A 61 1.832 6.850 -10.037 1.00 0.00 C ATOM 421 C GLY A 61 1.203 7.602 -8.860 1.00 0.00 C ATOM 422 O GLY A 61 0.143 7.246 -8.385 1.00 0.00 O ATOM 0 H GLY A 61 3.329 8.344 -10.344 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.229 6.995 -10.933 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.842 5.780 -9.829 1.00 0.00 H new ATOM 426 N MET A 62 1.836 8.640 -8.384 1.00 0.00 N ATOM 427 CA MET A 62 1.252 9.401 -7.241 1.00 0.00 C ATOM 428 C MET A 62 -0.206 9.755 -7.547 1.00 0.00 C ATOM 429 O MET A 62 -1.081 9.604 -6.717 1.00 0.00 O ATOM 430 CB MET A 62 2.104 10.668 -7.130 1.00 0.00 C ATOM 431 CG MET A 62 3.495 10.301 -6.612 1.00 0.00 C ATOM 432 SD MET A 62 4.708 11.480 -7.257 1.00 0.00 S ATOM 433 CE MET A 62 4.756 12.570 -5.814 1.00 0.00 C ATOM 0 H MET A 62 2.727 8.993 -8.734 1.00 0.00 H new ATOM 0 HA MET A 62 1.256 8.830 -6.312 1.00 0.00 H new ATOM 0 HB2 MET A 62 2.183 11.153 -8.103 1.00 0.00 H new ATOM 0 HB3 MET A 62 1.629 11.381 -6.456 1.00 0.00 H new ATOM 0 HG2 MET A 62 3.504 10.313 -5.522 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.755 9.289 -6.922 1.00 0.00 H new ATOM 0 HE1 MET A 62 5.456 13.385 -5.997 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.762 12.979 -5.634 1.00 0.00 H new ATOM 0 HE3 MET A 62 5.079 12.003 -4.941 1.00 0.00 H new ATOM 443 N ARG A 63 -0.470 10.216 -8.738 1.00 0.00 N ATOM 444 CA ARG A 63 -1.868 10.577 -9.114 1.00 0.00 C ATOM 445 C ARG A 63 -2.367 9.634 -10.214 1.00 0.00 C ATOM 446 O ARG A 63 -3.053 10.040 -11.131 1.00 0.00 O ATOM 447 CB ARG A 63 -1.779 12.008 -9.639 1.00 0.00 C ATOM 448 CG ARG A 63 -1.948 12.992 -8.479 1.00 0.00 C ATOM 449 CD ARG A 63 -1.679 14.413 -8.974 1.00 0.00 C ATOM 450 NE ARG A 63 -1.718 15.260 -7.750 1.00 0.00 N ATOM 451 CZ ARG A 63 -2.840 15.813 -7.378 1.00 0.00 C ATOM 452 NH1 ARG A 63 -3.410 16.709 -8.136 1.00 0.00 N ATOM 453 NH2 ARG A 63 -3.392 15.470 -6.246 1.00 0.00 N ATOM 0 H ARG A 63 0.225 10.359 -9.471 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.561 10.494 -8.276 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.818 12.168 -10.127 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.550 12.179 -10.390 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.957 12.922 -8.072 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.261 12.740 -7.671 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.711 14.481 -9.471 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.431 14.729 -9.697 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.870 15.408 -7.203 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.979 16.978 -9.020 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.287 17.141 -7.844 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.946 14.770 -5.653 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.269 15.902 -5.955 1.00 0.00 H new ATOM 467 N PHE A 64 -2.022 8.379 -10.128 1.00 0.00 N ATOM 468 CA PHE A 64 -2.464 7.406 -11.167 1.00 0.00 C ATOM 469 C PHE A 64 -3.980 7.481 -11.355 1.00 0.00 C ATOM 470 O PHE A 64 -4.470 7.588 -12.462 1.00 0.00 O ATOM 471 CB PHE A 64 -2.057 6.035 -10.624 1.00 0.00 C ATOM 472 CG PHE A 64 -2.257 4.990 -11.695 1.00 0.00 C ATOM 473 CD1 PHE A 64 -1.282 4.805 -12.683 1.00 0.00 C ATOM 474 CD2 PHE A 64 -3.417 4.207 -11.701 1.00 0.00 C ATOM 475 CE1 PHE A 64 -1.468 3.835 -13.677 1.00 0.00 C ATOM 476 CE2 PHE A 64 -3.603 3.239 -12.693 1.00 0.00 C ATOM 477 CZ PHE A 64 -2.628 3.052 -13.681 1.00 0.00 C ATOM 0 H PHE A 64 -1.451 7.984 -9.381 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.015 7.609 -12.139 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.014 6.052 -10.308 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.652 5.789 -9.745 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.387 5.410 -12.679 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.169 4.350 -10.939 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.717 3.692 -14.440 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.499 2.636 -12.697 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.771 2.303 -14.446 1.00 0.00 H new ATOM 487 N ASN A 65 -4.728 7.424 -10.288 1.00 0.00 N ATOM 488 CA ASN A 65 -6.208 7.493 -10.426 1.00 0.00 C ATOM 489 C ASN A 65 -6.609 8.835 -11.046 1.00 0.00 C ATOM 490 O ASN A 65 -7.451 8.896 -11.920 1.00 0.00 O ATOM 491 CB ASN A 65 -6.760 7.345 -9.006 1.00 0.00 C ATOM 492 CG ASN A 65 -6.390 8.570 -8.171 1.00 0.00 C ATOM 493 OD1 ASN A 65 -6.919 9.641 -8.381 1.00 0.00 O ATOM 494 ND2 ASN A 65 -5.504 8.453 -7.219 1.00 0.00 N ATOM 0 H ASN A 65 -4.381 7.333 -9.333 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.603 6.715 -11.079 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.843 7.230 -9.038 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.358 6.444 -8.543 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.256 9.263 -6.651 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.060 7.552 -7.044 1.00 0.00 H new ATOM 501 N GLU A 66 -5.996 9.911 -10.623 1.00 0.00 N ATOM 502 CA GLU A 66 -6.335 11.237 -11.219 1.00 0.00 C ATOM 503 C GLU A 66 -6.062 11.191 -12.724 1.00 0.00 C ATOM 504 O GLU A 66 -6.901 11.535 -13.534 1.00 0.00 O ATOM 505 CB GLU A 66 -5.396 12.238 -10.542 1.00 0.00 C ATOM 506 CG GLU A 66 -5.842 12.477 -9.098 1.00 0.00 C ATOM 507 CD GLU A 66 -6.925 13.556 -9.065 1.00 0.00 C ATOM 508 OE1 GLU A 66 -7.059 14.264 -10.050 1.00 0.00 O ATOM 509 OE2 GLU A 66 -7.602 13.656 -8.055 1.00 0.00 O ATOM 0 H GLU A 66 -5.281 9.929 -9.896 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.381 11.508 -11.073 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.374 11.859 -10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.396 13.179 -11.092 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.224 11.551 -8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.991 12.784 -8.490 1.00 0.00 H new ATOM 516 N VAL A 67 -4.889 10.758 -13.097 1.00 0.00 N ATOM 517 CA VAL A 67 -4.540 10.672 -14.544 1.00 0.00 C ATOM 518 C VAL A 67 -5.548 9.780 -15.268 1.00 0.00 C ATOM 519 O VAL A 67 -6.135 10.166 -16.260 1.00 0.00 O ATOM 520 CB VAL A 67 -3.146 10.043 -14.564 1.00 0.00 C ATOM 521 CG1 VAL A 67 -2.683 9.851 -16.009 1.00 0.00 C ATOM 522 CG2 VAL A 67 -2.167 10.965 -13.835 1.00 0.00 C ATOM 0 H VAL A 67 -4.153 10.458 -12.458 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.558 11.640 -15.044 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.180 9.073 -14.067 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.690 9.403 -16.016 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.381 9.196 -16.531 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.648 10.818 -16.511 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.172 10.521 -13.847 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.138 11.933 -14.335 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.493 11.099 -12.803 1.00 0.00 H new ATOM 532 N ALA A 68 -5.762 8.591 -14.774 1.00 0.00 N ATOM 533 CA ALA A 68 -6.741 7.678 -15.428 1.00 0.00 C ATOM 534 C ALA A 68 -8.127 8.322 -15.433 1.00 0.00 C ATOM 535 O ALA A 68 -8.858 8.242 -16.400 1.00 0.00 O ATOM 536 CB ALA A 68 -6.740 6.415 -14.566 1.00 0.00 C ATOM 0 H ALA A 68 -5.301 8.213 -13.946 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.483 7.462 -16.465 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.439 5.690 -14.983 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.738 5.986 -14.550 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.042 6.668 -13.550 1.00 0.00 H new ATOM 542 N ALA A 69 -8.489 8.963 -14.357 1.00 0.00 N ATOM 543 CA ALA A 69 -9.823 9.619 -14.293 1.00 0.00 C ATOM 544 C ALA A 69 -10.046 10.487 -15.534 1.00 0.00 C ATOM 545 O ALA A 69 -11.100 10.469 -16.136 1.00 0.00 O ATOM 546 CB ALA A 69 -9.776 10.486 -13.035 1.00 0.00 C ATOM 0 H ALA A 69 -7.917 9.061 -13.518 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.638 8.896 -14.261 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.727 11.006 -12.916 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.596 9.855 -12.165 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.972 11.217 -13.126 1.00 0.00 H new ATOM 552 N GLN A 70 -9.060 11.254 -15.915 1.00 0.00 N ATOM 553 CA GLN A 70 -9.219 12.131 -17.112 1.00 0.00 C ATOM 554 C GLN A 70 -8.668 11.438 -18.363 1.00 0.00 C ATOM 555 O GLN A 70 -8.880 11.886 -19.473 1.00 0.00 O ATOM 556 CB GLN A 70 -8.396 13.381 -16.795 1.00 0.00 C ATOM 557 CG GLN A 70 -9.040 14.160 -15.648 1.00 0.00 C ATOM 558 CD GLN A 70 -10.538 14.286 -15.906 1.00 0.00 C ATOM 559 OE1 GLN A 70 -10.991 15.255 -16.481 1.00 0.00 O ATOM 560 NE2 GLN A 70 -11.328 13.337 -15.500 1.00 0.00 N ATOM 0 H GLN A 70 -8.154 11.312 -15.451 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.265 12.363 -17.313 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.379 13.097 -16.525 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -8.326 14.014 -17.680 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.864 13.649 -14.701 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -8.589 15.149 -15.566 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.943 12.525 -15.017 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.332 13.404 -15.664 1.00 0.00 H new ATOM 569 N TYR A 71 -7.955 10.355 -18.197 1.00 0.00 N ATOM 570 CA TYR A 71 -7.384 9.654 -19.384 1.00 0.00 C ATOM 571 C TYR A 71 -7.947 8.235 -19.510 1.00 0.00 C ATOM 572 O TYR A 71 -7.321 7.363 -20.080 1.00 0.00 O ATOM 573 CB TYR A 71 -5.880 9.604 -19.125 1.00 0.00 C ATOM 574 CG TYR A 71 -5.306 10.993 -19.248 1.00 0.00 C ATOM 575 CD1 TYR A 71 -5.524 11.734 -20.413 1.00 0.00 C ATOM 576 CD2 TYR A 71 -4.559 11.539 -18.198 1.00 0.00 C ATOM 577 CE1 TYR A 71 -4.993 13.023 -20.531 1.00 0.00 C ATOM 578 CE2 TYR A 71 -4.028 12.829 -18.315 1.00 0.00 C ATOM 579 CZ TYR A 71 -4.246 13.572 -19.483 1.00 0.00 C ATOM 580 OH TYR A 71 -3.722 14.844 -19.598 1.00 0.00 O ATOM 0 H TYR A 71 -7.744 9.927 -17.295 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.631 10.169 -20.313 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.684 9.204 -18.130 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.399 8.935 -19.838 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.102 11.312 -21.222 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.392 10.966 -17.298 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.160 13.595 -21.432 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.451 13.251 -17.506 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.232 15.071 -18.780 1.00 0.00 H new ATOM 590 N SER A 72 -9.118 7.990 -18.993 1.00 0.00 N ATOM 591 CA SER A 72 -9.697 6.623 -19.101 1.00 0.00 C ATOM 592 C SER A 72 -10.785 6.593 -20.177 1.00 0.00 C ATOM 593 O SER A 72 -11.816 7.224 -20.050 1.00 0.00 O ATOM 594 CB SER A 72 -10.296 6.330 -17.726 1.00 0.00 C ATOM 595 OG SER A 72 -11.083 5.147 -17.800 1.00 0.00 O ATOM 0 H SER A 72 -9.696 8.673 -18.503 1.00 0.00 H new ATOM 0 HA SER A 72 -8.949 5.882 -19.383 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.502 6.207 -16.989 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.909 7.169 -17.397 1.00 0.00 H new ATOM 0 HG SER A 72 -11.336 4.865 -16.896 1.00 0.00 H new ATOM 601 N GLU A 73 -10.570 5.851 -21.228 1.00 0.00 N ATOM 602 CA GLU A 73 -11.600 5.766 -22.302 1.00 0.00 C ATOM 603 C GLU A 73 -12.396 4.470 -22.144 1.00 0.00 C ATOM 604 O GLU A 73 -13.385 4.248 -22.813 1.00 0.00 O ATOM 605 CB GLU A 73 -10.817 5.769 -23.616 1.00 0.00 C ATOM 606 CG GLU A 73 -11.787 5.963 -24.784 1.00 0.00 C ATOM 607 CD GLU A 73 -11.000 6.055 -26.092 1.00 0.00 C ATOM 608 OE1 GLU A 73 -9.781 6.048 -26.031 1.00 0.00 O ATOM 609 OE2 GLU A 73 -11.630 6.130 -27.135 1.00 0.00 O ATOM 0 H GLU A 73 -9.727 5.300 -21.390 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.313 6.590 -22.265 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.075 6.567 -23.608 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.274 4.831 -23.731 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.490 5.131 -24.828 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.374 6.869 -24.636 1.00 0.00 H new ATOM 616 N ASP A 74 -11.973 3.619 -21.249 1.00 0.00 N ATOM 617 CA ASP A 74 -12.701 2.342 -21.023 1.00 0.00 C ATOM 618 C ASP A 74 -13.492 2.442 -19.717 1.00 0.00 C ATOM 619 O ASP A 74 -13.810 1.454 -19.090 1.00 0.00 O ATOM 620 CB ASP A 74 -11.606 1.279 -20.918 1.00 0.00 C ATOM 621 CG ASP A 74 -10.873 1.175 -22.256 1.00 0.00 C ATOM 622 OD1 ASP A 74 -10.204 2.130 -22.618 1.00 0.00 O ATOM 623 OD2 ASP A 74 -10.992 0.144 -22.896 1.00 0.00 O ATOM 0 H ASP A 74 -11.150 3.756 -20.663 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.410 2.106 -21.816 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -10.905 1.540 -20.125 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.042 0.316 -20.653 1.00 0.00 H new ATOM 628 N LYS A 75 -13.802 3.643 -19.308 1.00 0.00 N ATOM 629 CA LYS A 75 -14.563 3.837 -18.040 1.00 0.00 C ATOM 630 C LYS A 75 -15.805 2.941 -18.008 1.00 0.00 C ATOM 631 O LYS A 75 -16.232 2.495 -16.963 1.00 0.00 O ATOM 632 CB LYS A 75 -14.970 5.312 -18.052 1.00 0.00 C ATOM 633 CG LYS A 75 -13.759 6.182 -17.701 1.00 0.00 C ATOM 634 CD LYS A 75 -14.209 7.633 -17.510 1.00 0.00 C ATOM 635 CE LYS A 75 -14.413 7.913 -16.020 1.00 0.00 C ATOM 636 NZ LYS A 75 -13.043 7.911 -15.435 1.00 0.00 N ATOM 0 H LYS A 75 -13.559 4.503 -19.801 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.970 3.576 -17.164 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.355 5.586 -19.035 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -15.774 5.484 -17.336 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.286 5.814 -16.791 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.014 6.123 -18.494 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.462 8.313 -17.920 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.136 7.812 -18.055 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.908 8.872 -15.863 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.040 7.151 -15.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.000 8.591 -14.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.818 6.959 -15.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.353 8.182 -16.165 1.00 0.00 H new ATOM 650 N ALA A 76 -16.394 2.679 -19.143 1.00 0.00 N ATOM 651 CA ALA A 76 -17.612 1.819 -19.167 1.00 0.00 C ATOM 652 C ALA A 76 -17.295 0.418 -18.637 1.00 0.00 C ATOM 653 O ALA A 76 -18.088 -0.184 -17.941 1.00 0.00 O ATOM 654 CB ALA A 76 -18.023 1.755 -20.638 1.00 0.00 C ATOM 0 H ALA A 76 -16.086 3.022 -20.053 1.00 0.00 H new ATOM 0 HA ALA A 76 -18.406 2.219 -18.536 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -18.916 1.138 -20.740 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -18.234 2.761 -21.001 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -17.213 1.321 -21.224 1.00 0.00 H new ATOM 660 N ARG A 77 -16.146 -0.109 -18.961 1.00 0.00 N ATOM 661 CA ARG A 77 -15.790 -1.475 -18.477 1.00 0.00 C ATOM 662 C ARG A 77 -14.639 -1.398 -17.471 1.00 0.00 C ATOM 663 O ARG A 77 -14.666 -2.026 -16.432 1.00 0.00 O ATOM 664 CB ARG A 77 -15.362 -2.238 -19.730 1.00 0.00 C ATOM 665 CG ARG A 77 -16.596 -2.847 -20.398 1.00 0.00 C ATOM 666 CD ARG A 77 -16.171 -3.992 -21.320 1.00 0.00 C ATOM 667 NE ARG A 77 -17.391 -4.831 -21.473 1.00 0.00 N ATOM 668 CZ ARG A 77 -17.826 -5.544 -20.468 1.00 0.00 C ATOM 669 NH1 ARG A 77 -17.088 -5.693 -19.401 1.00 0.00 N ATOM 670 NH2 ARG A 77 -19.003 -6.105 -20.529 1.00 0.00 N ATOM 0 H ARG A 77 -15.439 0.345 -19.539 1.00 0.00 H new ATOM 0 HA ARG A 77 -16.621 -1.963 -17.967 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -14.854 -1.567 -20.422 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -14.652 -3.022 -19.467 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -17.287 -3.215 -19.640 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -17.126 -2.085 -20.969 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -15.826 -3.617 -22.283 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -15.350 -4.564 -20.888 1.00 0.00 H new ATOM 0 HE ARG A 77 -17.888 -4.849 -22.363 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -16.170 -5.252 -19.351 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -17.430 -6.250 -18.618 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -19.582 -5.987 -21.360 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -19.344 -6.662 -19.745 1.00 0.00 H new ATOM 684 N GLN A 78 -13.627 -0.633 -17.774 1.00 0.00 N ATOM 685 CA GLN A 78 -12.474 -0.516 -16.838 1.00 0.00 C ATOM 686 C GLN A 78 -12.316 0.936 -16.374 1.00 0.00 C ATOM 687 O GLN A 78 -12.634 1.863 -17.091 1.00 0.00 O ATOM 688 CB GLN A 78 -11.258 -0.953 -17.655 1.00 0.00 C ATOM 689 CG GLN A 78 -11.052 -2.459 -17.498 1.00 0.00 C ATOM 690 CD GLN A 78 -11.565 -3.178 -18.748 1.00 0.00 C ATOM 691 OE1 GLN A 78 -10.923 -3.158 -19.780 1.00 0.00 O ATOM 692 NE2 GLN A 78 -12.702 -3.816 -18.700 1.00 0.00 N ATOM 0 H GLN A 78 -13.549 -0.084 -18.630 1.00 0.00 H new ATOM 0 HA GLN A 78 -12.604 -1.123 -15.942 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.404 -0.703 -18.706 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -10.370 -0.417 -17.320 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -9.995 -2.678 -17.348 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -11.581 -2.819 -16.616 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -13.241 -3.833 -17.834 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -13.052 -4.298 -19.528 1.00 0.00 H new ATOM 701 N GLY A 79 -11.826 1.138 -15.182 1.00 0.00 N ATOM 702 CA GLY A 79 -11.648 2.529 -14.676 1.00 0.00 C ATOM 703 C GLY A 79 -10.176 2.928 -14.784 1.00 0.00 C ATOM 704 O GLY A 79 -9.680 3.723 -14.011 1.00 0.00 O ATOM 0 H GLY A 79 -11.541 0.401 -14.537 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -12.266 3.218 -15.252 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.978 2.595 -13.639 1.00 0.00 H new ATOM 708 N GLY A 80 -9.470 2.378 -15.734 1.00 0.00 N ATOM 709 CA GLY A 80 -8.029 2.724 -15.884 1.00 0.00 C ATOM 710 C GLY A 80 -7.176 1.601 -15.291 1.00 0.00 C ATOM 711 O GLY A 80 -5.965 1.606 -15.393 1.00 0.00 O ATOM 0 H GLY A 80 -9.829 1.705 -16.412 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.785 2.865 -16.937 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.814 3.665 -15.378 1.00 0.00 H new ATOM 715 N ASP A 81 -7.797 0.635 -14.673 1.00 0.00 N ATOM 716 CA ASP A 81 -7.019 -0.486 -14.076 1.00 0.00 C ATOM 717 C ASP A 81 -7.521 -1.825 -14.618 1.00 0.00 C ATOM 718 O ASP A 81 -8.707 -2.030 -14.787 1.00 0.00 O ATOM 719 CB ASP A 81 -7.276 -0.388 -12.575 1.00 0.00 C ATOM 720 CG ASP A 81 -8.784 -0.367 -12.320 1.00 0.00 C ATOM 721 OD1 ASP A 81 -9.528 -0.409 -13.286 1.00 0.00 O ATOM 722 OD2 ASP A 81 -9.169 -0.312 -11.164 1.00 0.00 O ATOM 0 H ASP A 81 -8.808 0.573 -14.556 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.957 -0.425 -14.314 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.820 -1.234 -12.061 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.815 0.515 -12.174 1.00 0.00 H new ATOM 727 N LEU A 82 -6.634 -2.743 -14.888 1.00 0.00 N ATOM 728 CA LEU A 82 -7.073 -4.064 -15.411 1.00 0.00 C ATOM 729 C LEU A 82 -6.839 -5.139 -14.345 1.00 0.00 C ATOM 730 O LEU A 82 -5.762 -5.256 -13.797 1.00 0.00 O ATOM 731 CB LEU A 82 -6.199 -4.295 -16.644 1.00 0.00 C ATOM 732 CG LEU A 82 -6.471 -5.680 -17.229 1.00 0.00 C ATOM 733 CD1 LEU A 82 -7.921 -5.757 -17.711 1.00 0.00 C ATOM 734 CD2 LEU A 82 -5.528 -5.917 -18.412 1.00 0.00 C ATOM 0 H LEU A 82 -5.627 -2.634 -14.769 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.133 -4.101 -15.662 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.403 -3.529 -17.392 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.146 -4.206 -16.375 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.304 -6.440 -16.466 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.114 -6.745 -18.128 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.593 -5.580 -16.872 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.090 -5.001 -18.477 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.716 -6.904 -18.835 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.701 -5.157 -19.173 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.494 -5.860 -18.071 1.00 0.00 H new ATOM 746 N GLY A 83 -7.848 -5.907 -14.033 1.00 0.00 N ATOM 747 CA GLY A 83 -7.695 -6.961 -12.987 1.00 0.00 C ATOM 748 C GLY A 83 -6.595 -7.946 -13.383 1.00 0.00 C ATOM 749 O GLY A 83 -5.491 -7.562 -13.718 1.00 0.00 O ATOM 0 H GLY A 83 -8.774 -5.850 -14.458 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.452 -6.500 -12.029 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.638 -7.492 -12.855 1.00 0.00 H new ATOM 753 N TRP A 84 -6.888 -9.217 -13.332 1.00 0.00 N ATOM 754 CA TRP A 84 -5.863 -10.235 -13.692 1.00 0.00 C ATOM 755 C TRP A 84 -5.759 -10.385 -15.211 1.00 0.00 C ATOM 756 O TRP A 84 -6.740 -10.339 -15.924 1.00 0.00 O ATOM 757 CB TRP A 84 -6.353 -11.537 -13.061 1.00 0.00 C ATOM 758 CG TRP A 84 -6.230 -11.453 -11.573 1.00 0.00 C ATOM 759 CD1 TRP A 84 -7.255 -11.209 -10.726 1.00 0.00 C ATOM 760 CD2 TRP A 84 -5.041 -11.610 -10.743 1.00 0.00 C ATOM 761 NE1 TRP A 84 -6.774 -11.208 -9.430 1.00 0.00 N ATOM 762 CE2 TRP A 84 -5.417 -11.449 -9.387 1.00 0.00 C ATOM 763 CE3 TRP A 84 -3.689 -11.874 -11.028 1.00 0.00 C ATOM 764 CZ2 TRP A 84 -4.486 -11.547 -8.353 1.00 0.00 C ATOM 765 CZ3 TRP A 84 -2.749 -11.972 -9.988 1.00 0.00 C ATOM 766 CH2 TRP A 84 -3.148 -11.810 -8.653 1.00 0.00 C ATOM 0 H TRP A 84 -7.795 -9.594 -13.056 1.00 0.00 H new ATOM 0 HA TRP A 84 -4.872 -9.954 -13.336 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -7.391 -11.720 -13.340 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -5.769 -12.377 -13.437 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -8.282 -11.042 -11.015 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -7.353 -11.048 -8.605 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -3.371 -12.002 -12.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -4.798 -11.420 -7.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.713 -12.173 -10.218 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -2.421 -11.889 -7.858 1.00 0.00 H new ATOM 777 N MET A 85 -4.567 -10.572 -15.701 1.00 0.00 N ATOM 778 CA MET A 85 -4.360 -10.737 -17.166 1.00 0.00 C ATOM 779 C MET A 85 -3.528 -11.997 -17.420 1.00 0.00 C ATOM 780 O MET A 85 -2.430 -12.133 -16.921 1.00 0.00 O ATOM 781 CB MET A 85 -3.592 -9.483 -17.587 1.00 0.00 C ATOM 782 CG MET A 85 -3.163 -9.599 -19.050 1.00 0.00 C ATOM 783 SD MET A 85 -2.421 -8.033 -19.575 1.00 0.00 S ATOM 784 CE MET A 85 -2.411 -8.360 -21.356 1.00 0.00 C ATOM 0 H MET A 85 -3.716 -10.618 -15.141 1.00 0.00 H new ATOM 0 HA MET A 85 -5.290 -10.848 -17.723 1.00 0.00 H new ATOM 0 HB2 MET A 85 -4.218 -8.601 -17.452 1.00 0.00 H new ATOM 0 HB3 MET A 85 -2.716 -9.353 -16.952 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.448 -10.413 -19.169 1.00 0.00 H new ATOM 0 HG3 MET A 85 -4.023 -9.837 -19.676 1.00 0.00 H new ATOM 0 HE1 MET A 85 -1.665 -7.728 -21.838 1.00 0.00 H new ATOM 0 HE2 MET A 85 -2.167 -9.408 -21.532 1.00 0.00 H new ATOM 0 HE3 MET A 85 -3.395 -8.142 -21.772 1.00 0.00 H new ATOM 794 N THR A 86 -4.037 -12.930 -18.174 1.00 0.00 N ATOM 795 CA THR A 86 -3.255 -14.175 -18.426 1.00 0.00 C ATOM 796 C THR A 86 -2.955 -14.325 -19.920 1.00 0.00 C ATOM 797 O THR A 86 -1.840 -14.612 -20.309 1.00 0.00 O ATOM 798 CB THR A 86 -4.150 -15.312 -17.910 1.00 0.00 C ATOM 799 OG1 THR A 86 -3.873 -15.534 -16.536 1.00 0.00 O ATOM 800 CG2 THR A 86 -3.887 -16.602 -18.694 1.00 0.00 C ATOM 0 H THR A 86 -4.952 -12.887 -18.624 1.00 0.00 H new ATOM 0 HA THR A 86 -2.287 -14.171 -17.925 1.00 0.00 H new ATOM 0 HB THR A 86 -5.194 -15.028 -18.043 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.408 -16.289 -16.212 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.530 -17.396 -18.314 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.100 -16.436 -19.750 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.843 -16.893 -18.576 1.00 0.00 H new ATOM 808 N ARG A 87 -3.933 -14.137 -20.760 1.00 0.00 N ATOM 809 CA ARG A 87 -3.684 -14.279 -22.220 1.00 0.00 C ATOM 810 C ARG A 87 -3.513 -12.904 -22.871 1.00 0.00 C ATOM 811 O ARG A 87 -2.527 -12.640 -23.531 1.00 0.00 O ATOM 812 CB ARG A 87 -4.919 -14.986 -22.772 1.00 0.00 C ATOM 813 CG ARG A 87 -4.621 -15.466 -24.191 1.00 0.00 C ATOM 814 CD ARG A 87 -5.878 -16.094 -24.797 1.00 0.00 C ATOM 815 NE ARG A 87 -6.641 -14.952 -25.371 1.00 0.00 N ATOM 816 CZ ARG A 87 -7.477 -15.153 -26.352 1.00 0.00 C ATOM 817 NH1 ARG A 87 -8.304 -16.161 -26.309 1.00 0.00 N ATOM 818 NH2 ARG A 87 -7.486 -14.344 -27.379 1.00 0.00 N ATOM 0 H ARG A 87 -4.889 -13.893 -20.501 1.00 0.00 H new ATOM 0 HA ARG A 87 -2.771 -14.839 -22.425 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.186 -15.831 -22.137 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.772 -14.308 -22.775 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.288 -14.630 -24.806 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.810 -16.194 -24.176 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.623 -16.824 -25.565 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.462 -16.618 -24.040 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.510 -14.012 -24.997 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.297 -16.792 -25.508 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.957 -16.318 -27.076 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.839 -13.556 -27.413 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.140 -14.501 -28.146 1.00 0.00 H new ATOM 832 N GLY A 88 -4.461 -12.027 -22.695 1.00 0.00 N ATOM 833 CA GLY A 88 -4.339 -10.676 -23.310 1.00 0.00 C ATOM 834 C GLY A 88 -5.716 -10.016 -23.383 1.00 0.00 C ATOM 835 O GLY A 88 -6.661 -10.453 -22.755 1.00 0.00 O ATOM 0 H GLY A 88 -5.311 -12.186 -22.155 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.660 -10.058 -22.722 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.911 -10.758 -24.309 1.00 0.00 H new ATOM 839 N SER A 89 -5.838 -8.962 -24.144 1.00 0.00 N ATOM 840 CA SER A 89 -7.155 -8.274 -24.254 1.00 0.00 C ATOM 841 C SER A 89 -7.489 -7.986 -25.720 1.00 0.00 C ATOM 842 O SER A 89 -8.321 -8.643 -26.315 1.00 0.00 O ATOM 843 CB SER A 89 -6.983 -6.972 -23.475 1.00 0.00 C ATOM 844 OG SER A 89 -8.199 -6.237 -23.519 1.00 0.00 O ATOM 0 H SER A 89 -5.084 -8.549 -24.693 1.00 0.00 H new ATOM 0 HA SER A 89 -7.971 -8.881 -23.862 1.00 0.00 H new ATOM 0 HB2 SER A 89 -6.711 -7.186 -22.441 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.172 -6.383 -23.903 1.00 0.00 H new ATOM 0 HG SER A 89 -8.094 -5.401 -23.019 1.00 0.00 H new ATOM 850 N MET A 90 -6.855 -7.008 -26.309 1.00 0.00 N ATOM 851 CA MET A 90 -7.153 -6.683 -27.734 1.00 0.00 C ATOM 852 C MET A 90 -5.866 -6.333 -28.492 1.00 0.00 C ATOM 853 O MET A 90 -5.316 -7.144 -29.210 1.00 0.00 O ATOM 854 CB MET A 90 -8.084 -5.471 -27.675 1.00 0.00 C ATOM 855 CG MET A 90 -9.367 -5.847 -26.933 1.00 0.00 C ATOM 856 SD MET A 90 -10.638 -4.603 -27.262 1.00 0.00 S ATOM 857 CE MET A 90 -11.353 -5.395 -28.723 1.00 0.00 C ATOM 0 H MET A 90 -6.146 -6.422 -25.867 1.00 0.00 H new ATOM 0 HA MET A 90 -7.604 -7.525 -28.258 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.588 -4.643 -27.169 1.00 0.00 H new ATOM 0 HB3 MET A 90 -8.321 -5.132 -28.683 1.00 0.00 H new ATOM 0 HG2 MET A 90 -9.712 -6.829 -27.255 1.00 0.00 H new ATOM 0 HG3 MET A 90 -9.175 -5.912 -25.862 1.00 0.00 H new ATOM 0 HE1 MET A 90 -12.174 -4.786 -29.102 1.00 0.00 H new ATOM 0 HE2 MET A 90 -10.589 -5.494 -29.494 1.00 0.00 H new ATOM 0 HE3 MET A 90 -11.728 -6.383 -28.455 1.00 0.00 H new ATOM 867 N VAL A 91 -5.391 -5.127 -28.345 1.00 0.00 N ATOM 868 CA VAL A 91 -4.150 -4.716 -29.064 1.00 0.00 C ATOM 869 C VAL A 91 -3.030 -5.737 -28.841 1.00 0.00 C ATOM 870 O VAL A 91 -2.703 -6.087 -27.725 1.00 0.00 O ATOM 871 CB VAL A 91 -3.774 -3.364 -28.462 1.00 0.00 C ATOM 872 CG1 VAL A 91 -2.479 -2.859 -29.101 1.00 0.00 C ATOM 873 CG2 VAL A 91 -4.896 -2.359 -28.734 1.00 0.00 C ATOM 0 H VAL A 91 -5.809 -4.406 -27.757 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.304 -4.656 -30.141 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.630 -3.474 -27.387 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.213 -1.894 -28.670 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.678 -3.574 -28.913 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.623 -2.749 -30.176 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.631 -1.393 -28.305 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.036 -2.253 -29.810 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.821 -2.715 -28.281 1.00 0.00 H new ATOM 883 N GLY A 92 -2.439 -6.209 -29.904 1.00 0.00 N ATOM 884 CA GLY A 92 -1.334 -7.200 -29.776 1.00 0.00 C ATOM 885 C GLY A 92 -0.097 -6.539 -29.156 1.00 0.00 C ATOM 886 O GLY A 92 0.456 -7.049 -28.200 1.00 0.00 O ATOM 0 H GLY A 92 -2.676 -5.949 -30.861 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.657 -8.037 -29.157 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.085 -7.606 -30.756 1.00 0.00 H new ATOM 890 N PRO A 93 0.311 -5.426 -29.719 1.00 0.00 N ATOM 891 CA PRO A 93 1.505 -4.717 -29.199 1.00 0.00 C ATOM 892 C PRO A 93 1.254 -4.196 -27.783 1.00 0.00 C ATOM 893 O PRO A 93 2.159 -3.746 -27.110 1.00 0.00 O ATOM 894 CB PRO A 93 1.711 -3.576 -30.197 1.00 0.00 C ATOM 895 CG PRO A 93 0.368 -3.366 -30.811 1.00 0.00 C ATOM 896 CD PRO A 93 -0.285 -4.721 -30.863 1.00 0.00 C ATOM 0 HA PRO A 93 2.383 -5.357 -29.118 1.00 0.00 H new ATOM 0 HB2 PRO A 93 2.065 -2.673 -29.699 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.455 -3.837 -30.950 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -0.226 -2.670 -30.219 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.459 -2.939 -31.810 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.369 -4.649 -30.771 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -0.078 -5.232 -31.803 1.00 0.00 H new ATOM 904 N PHE A 94 0.039 -4.273 -27.312 1.00 0.00 N ATOM 905 CA PHE A 94 -0.245 -3.803 -25.927 1.00 0.00 C ATOM 906 C PHE A 94 0.166 -4.897 -24.934 1.00 0.00 C ATOM 907 O PHE A 94 0.823 -4.646 -23.939 1.00 0.00 O ATOM 908 CB PHE A 94 -1.757 -3.571 -25.878 1.00 0.00 C ATOM 909 CG PHE A 94 -2.195 -3.407 -24.442 1.00 0.00 C ATOM 910 CD1 PHE A 94 -2.097 -2.157 -23.817 1.00 0.00 C ATOM 911 CD2 PHE A 94 -2.701 -4.505 -23.734 1.00 0.00 C ATOM 912 CE1 PHE A 94 -2.504 -2.006 -22.486 1.00 0.00 C ATOM 913 CE2 PHE A 94 -3.107 -4.353 -22.403 1.00 0.00 C ATOM 914 CZ PHE A 94 -3.009 -3.104 -21.779 1.00 0.00 C ATOM 0 H PHE A 94 -0.764 -4.639 -27.823 1.00 0.00 H new ATOM 0 HA PHE A 94 0.302 -2.896 -25.669 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -2.018 -2.682 -26.453 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -2.280 -4.411 -26.335 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -1.707 -1.310 -24.362 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.778 -5.469 -24.215 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.428 -1.042 -22.004 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.496 -5.200 -21.857 1.00 0.00 H new ATOM 0 HZ PHE A 94 -3.323 -2.987 -20.752 1.00 0.00 H new ATOM 924 N GLN A 95 -0.211 -6.116 -25.213 1.00 0.00 N ATOM 925 CA GLN A 95 0.155 -7.242 -24.308 1.00 0.00 C ATOM 926 C GLN A 95 1.664 -7.489 -24.368 1.00 0.00 C ATOM 927 O GLN A 95 2.274 -7.912 -23.406 1.00 0.00 O ATOM 928 CB GLN A 95 -0.609 -8.449 -24.854 1.00 0.00 C ATOM 929 CG GLN A 95 -2.105 -8.129 -24.895 1.00 0.00 C ATOM 930 CD GLN A 95 -2.844 -9.222 -25.670 1.00 0.00 C ATOM 931 OE1 GLN A 95 -3.938 -9.005 -26.152 1.00 0.00 O ATOM 932 NE2 GLN A 95 -2.290 -10.395 -25.812 1.00 0.00 N ATOM 0 H GLN A 95 -0.759 -6.381 -26.032 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.095 -7.040 -23.267 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.252 -8.697 -25.853 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.430 -9.321 -24.225 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.500 -8.058 -23.881 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.267 -7.161 -25.369 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.372 -10.578 -25.408 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.775 -11.129 -26.327 1.00 0.00 H new ATOM 941 N GLU A 96 2.271 -7.226 -25.495 1.00 0.00 N ATOM 942 CA GLU A 96 3.741 -7.444 -25.623 1.00 0.00 C ATOM 943 C GLU A 96 4.489 -6.693 -24.517 1.00 0.00 C ATOM 944 O GLU A 96 5.437 -7.194 -23.946 1.00 0.00 O ATOM 945 CB GLU A 96 4.104 -6.876 -26.994 1.00 0.00 C ATOM 946 CG GLU A 96 3.471 -7.740 -28.084 1.00 0.00 C ATOM 947 CD GLU A 96 4.069 -9.146 -28.031 1.00 0.00 C ATOM 948 OE1 GLU A 96 5.274 -9.250 -27.872 1.00 0.00 O ATOM 949 OE2 GLU A 96 3.311 -10.094 -28.149 1.00 0.00 O ATOM 0 H GLU A 96 1.812 -6.869 -26.333 1.00 0.00 H new ATOM 0 HA GLU A 96 4.012 -8.496 -25.530 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.752 -5.848 -27.079 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.187 -6.853 -27.116 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.391 -7.787 -27.944 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.647 -7.295 -29.063 1.00 0.00 H new ATOM 956 N ALA A 97 4.072 -5.495 -24.213 1.00 0.00 N ATOM 957 CA ALA A 97 4.762 -4.715 -23.145 1.00 0.00 C ATOM 958 C ALA A 97 4.329 -5.219 -21.765 1.00 0.00 C ATOM 959 O ALA A 97 5.148 -5.520 -20.914 1.00 0.00 O ATOM 960 CB ALA A 97 4.309 -3.269 -23.357 1.00 0.00 C ATOM 0 H ALA A 97 3.285 -5.022 -24.657 1.00 0.00 H new ATOM 0 HA ALA A 97 5.847 -4.812 -23.193 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.774 -2.628 -22.608 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.605 -2.937 -24.352 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.225 -3.210 -23.262 1.00 0.00 H new ATOM 966 N ALA A 98 3.049 -5.314 -21.538 1.00 0.00 N ATOM 967 CA ALA A 98 2.566 -5.798 -20.213 1.00 0.00 C ATOM 968 C ALA A 98 3.320 -7.065 -19.802 1.00 0.00 C ATOM 969 O ALA A 98 3.868 -7.148 -18.721 1.00 0.00 O ATOM 970 CB ALA A 98 1.083 -6.103 -20.419 1.00 0.00 C ATOM 0 H ALA A 98 2.318 -5.079 -22.209 1.00 0.00 H new ATOM 0 HA ALA A 98 2.727 -5.063 -19.424 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.653 -6.466 -19.485 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.565 -5.196 -20.729 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.972 -6.865 -21.190 1.00 0.00 H new ATOM 976 N PHE A 99 3.347 -8.056 -20.652 1.00 0.00 N ATOM 977 CA PHE A 99 4.062 -9.317 -20.302 1.00 0.00 C ATOM 978 C PHE A 99 5.573 -9.132 -20.450 1.00 0.00 C ATOM 979 O PHE A 99 6.354 -9.898 -19.920 1.00 0.00 O ATOM 980 CB PHE A 99 3.536 -10.361 -21.288 1.00 0.00 C ATOM 981 CG PHE A 99 2.202 -10.871 -20.798 1.00 0.00 C ATOM 982 CD1 PHE A 99 2.091 -11.410 -19.510 1.00 0.00 C ATOM 983 CD2 PHE A 99 1.076 -10.799 -21.626 1.00 0.00 C ATOM 984 CE1 PHE A 99 0.854 -11.877 -19.050 1.00 0.00 C ATOM 985 CE2 PHE A 99 -0.162 -11.266 -21.166 1.00 0.00 C ATOM 986 CZ PHE A 99 -0.272 -11.805 -19.877 1.00 0.00 C ATOM 0 H PHE A 99 2.906 -8.047 -21.572 1.00 0.00 H new ATOM 0 HA PHE A 99 3.888 -9.617 -19.269 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.430 -9.922 -22.280 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.244 -11.185 -21.378 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.960 -11.465 -18.871 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.161 -10.384 -22.619 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.769 -12.293 -18.057 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.031 -11.211 -21.804 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.226 -12.165 -19.522 1.00 0.00 H new ATOM 996 N ALA A 100 5.999 -8.118 -21.155 1.00 0.00 N ATOM 997 CA ALA A 100 7.465 -7.894 -21.311 1.00 0.00 C ATOM 998 C ALA A 100 8.098 -7.718 -19.930 1.00 0.00 C ATOM 999 O ALA A 100 9.129 -8.288 -19.630 1.00 0.00 O ATOM 1000 CB ALA A 100 7.595 -6.610 -22.132 1.00 0.00 C ATOM 0 H ALA A 100 5.400 -7.440 -21.626 1.00 0.00 H new ATOM 0 HA ALA A 100 7.968 -8.729 -21.800 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.650 -6.382 -22.287 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.107 -6.745 -23.098 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.121 -5.787 -21.598 1.00 0.00 H new ATOM 1006 N LEU A 101 7.478 -6.942 -19.081 1.00 0.00 N ATOM 1007 CA LEU A 101 8.036 -6.743 -17.711 1.00 0.00 C ATOM 1008 C LEU A 101 8.137 -8.099 -17.000 1.00 0.00 C ATOM 1009 O LEU A 101 7.156 -8.805 -16.875 1.00 0.00 O ATOM 1010 CB LEU A 101 7.036 -5.827 -17.004 1.00 0.00 C ATOM 1011 CG LEU A 101 7.131 -4.422 -17.601 1.00 0.00 C ATOM 1012 CD1 LEU A 101 6.105 -3.507 -16.929 1.00 0.00 C ATOM 1013 CD2 LEU A 101 8.538 -3.865 -17.369 1.00 0.00 C ATOM 0 H LEU A 101 6.612 -6.439 -19.276 1.00 0.00 H new ATOM 0 HA LEU A 101 9.036 -6.309 -17.719 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.024 -6.216 -17.119 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.246 -5.796 -15.935 1.00 0.00 H new ATOM 0 HG LEU A 101 6.928 -4.469 -18.671 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.175 -2.507 -17.356 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.103 -3.902 -17.093 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.306 -3.459 -15.859 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.608 -2.864 -17.794 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.740 -3.820 -16.299 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.270 -4.514 -17.849 1.00 0.00 H new ATOM 1138 N VAL A 110 6.549 -0.107 -11.201 1.00 0.00 N ATOM 1139 CA VAL A 110 6.833 0.828 -12.326 1.00 0.00 C ATOM 1140 C VAL A 110 5.833 0.604 -13.462 1.00 0.00 C ATOM 1141 O VAL A 110 5.080 -0.352 -13.461 1.00 0.00 O ATOM 1142 CB VAL A 110 8.248 0.475 -12.785 1.00 0.00 C ATOM 1143 CG1 VAL A 110 8.537 1.159 -14.123 1.00 0.00 C ATOM 1144 CG2 VAL A 110 9.254 0.955 -11.741 1.00 0.00 C ATOM 0 HA VAL A 110 6.748 1.873 -12.027 1.00 0.00 H new ATOM 0 HB VAL A 110 8.333 -0.605 -12.904 1.00 0.00 H new ATOM 0 HG11 VAL A 110 9.546 0.907 -14.450 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.818 0.818 -14.868 1.00 0.00 H new ATOM 0 HG13 VAL A 110 8.453 2.239 -14.005 1.00 0.00 H new ATOM 0 HG21 VAL A 110 10.264 0.704 -12.066 1.00 0.00 H new ATOM 0 HG22 VAL A 110 9.169 2.035 -11.623 1.00 0.00 H new ATOM 0 HG23 VAL A 110 9.049 0.469 -10.787 1.00 0.00 H new ATOM 1154 N PHE A 111 5.823 1.470 -14.437 1.00 0.00 N ATOM 1155 CA PHE A 111 4.875 1.289 -15.570 1.00 0.00 C ATOM 1156 C PHE A 111 5.640 1.230 -16.892 1.00 0.00 C ATOM 1157 O PHE A 111 6.753 1.706 -17.003 1.00 0.00 O ATOM 1158 CB PHE A 111 3.943 2.502 -15.525 1.00 0.00 C ATOM 1159 CG PHE A 111 4.704 3.759 -15.862 1.00 0.00 C ATOM 1160 CD1 PHE A 111 5.357 4.474 -14.850 1.00 0.00 C ATOM 1161 CD2 PHE A 111 4.746 4.218 -17.183 1.00 0.00 C ATOM 1162 CE1 PHE A 111 6.052 5.648 -15.162 1.00 0.00 C ATOM 1163 CE2 PHE A 111 5.443 5.390 -17.495 1.00 0.00 C ATOM 1164 CZ PHE A 111 6.096 6.106 -16.485 1.00 0.00 C ATOM 0 H PHE A 111 6.426 2.290 -14.498 1.00 0.00 H new ATOM 0 HA PHE A 111 4.313 0.358 -15.491 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.123 2.365 -16.230 1.00 0.00 H new ATOM 0 HB3 PHE A 111 3.500 2.592 -14.533 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.324 4.120 -13.830 1.00 0.00 H new ATOM 0 HD2 PHE A 111 4.240 3.667 -17.962 1.00 0.00 H new ATOM 0 HE1 PHE A 111 6.555 6.201 -14.382 1.00 0.00 H new ATOM 0 HE2 PHE A 111 5.477 5.742 -18.515 1.00 0.00 H new ATOM 0 HZ PHE A 111 6.634 7.011 -16.726 1.00 0.00 H new ATOM 1174 N THR A 112 5.053 0.635 -17.892 1.00 0.00 N ATOM 1175 CA THR A 112 5.745 0.525 -19.208 1.00 0.00 C ATOM 1176 C THR A 112 6.134 1.911 -19.731 1.00 0.00 C ATOM 1177 O THR A 112 5.295 2.690 -20.140 1.00 0.00 O ATOM 1178 CB THR A 112 4.725 -0.134 -20.138 1.00 0.00 C ATOM 1179 OG1 THR A 112 3.552 0.665 -20.192 1.00 0.00 O ATOM 1180 CG2 THR A 112 4.373 -1.527 -19.610 1.00 0.00 C ATOM 0 H THR A 112 4.122 0.219 -17.856 1.00 0.00 H new ATOM 0 HA THR A 112 6.668 -0.051 -19.138 1.00 0.00 H new ATOM 0 HB THR A 112 5.150 -0.225 -21.138 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.795 1.609 -20.092 1.00 0.00 H new ATOM 0 HG21 THR A 112 3.646 -1.995 -20.274 1.00 0.00 H new ATOM 0 HG22 THR A 112 5.274 -2.139 -19.569 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.948 -1.440 -18.610 1.00 0.00 H new ATOM 1188 N ASP A 113 7.403 2.221 -19.733 1.00 0.00 N ATOM 1189 CA ASP A 113 7.851 3.551 -20.239 1.00 0.00 C ATOM 1190 C ASP A 113 9.031 3.368 -21.209 1.00 0.00 C ATOM 1191 O ASP A 113 10.026 2.770 -20.851 1.00 0.00 O ATOM 1192 CB ASP A 113 8.295 4.323 -18.995 1.00 0.00 C ATOM 1193 CG ASP A 113 9.425 3.564 -18.297 1.00 0.00 C ATOM 1194 OD1 ASP A 113 9.403 2.345 -18.333 1.00 0.00 O ATOM 1195 OD2 ASP A 113 10.291 4.216 -17.738 1.00 0.00 O ATOM 0 H ASP A 113 8.150 1.609 -19.405 1.00 0.00 H new ATOM 0 HA ASP A 113 7.065 4.076 -20.781 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.632 5.321 -19.275 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.454 4.450 -18.314 1.00 0.00 H new ATOM 1200 N PRO A 114 8.887 3.878 -22.411 1.00 0.00 N ATOM 1201 CA PRO A 114 7.654 4.603 -22.812 1.00 0.00 C ATOM 1202 C PRO A 114 6.487 3.623 -22.954 1.00 0.00 C ATOM 1203 O PRO A 114 6.686 2.426 -23.023 1.00 0.00 O ATOM 1204 CB PRO A 114 8.019 5.220 -24.159 1.00 0.00 C ATOM 1205 CG PRO A 114 9.112 4.352 -24.695 1.00 0.00 C ATOM 1206 CD PRO A 114 9.862 3.812 -23.506 1.00 0.00 C ATOM 0 HA PRO A 114 7.338 5.350 -22.084 1.00 0.00 H new ATOM 0 HB2 PRO A 114 7.161 5.236 -24.832 1.00 0.00 H new ATOM 0 HB3 PRO A 114 8.354 6.251 -24.044 1.00 0.00 H new ATOM 0 HG2 PRO A 114 8.701 3.540 -25.295 1.00 0.00 H new ATOM 0 HG3 PRO A 114 9.776 4.923 -25.344 1.00 0.00 H new ATOM 0 HD2 PRO A 114 10.200 2.790 -23.678 1.00 0.00 H new ATOM 0 HD3 PRO A 114 10.748 4.409 -23.288 1.00 0.00 H new ATOM 1214 N PRO A 115 5.306 4.170 -22.995 1.00 0.00 N ATOM 1215 CA PRO A 115 4.086 3.337 -23.131 1.00 0.00 C ATOM 1216 C PRO A 115 3.993 2.782 -24.551 1.00 0.00 C ATOM 1217 O PRO A 115 4.849 3.029 -25.377 1.00 0.00 O ATOM 1218 CB PRO A 115 2.951 4.319 -22.856 1.00 0.00 C ATOM 1219 CG PRO A 115 3.513 5.663 -23.193 1.00 0.00 C ATOM 1220 CD PRO A 115 4.993 5.601 -22.919 1.00 0.00 C ATOM 0 HA PRO A 115 4.068 2.478 -22.460 1.00 0.00 H new ATOM 0 HB2 PRO A 115 2.076 4.093 -23.466 1.00 0.00 H new ATOM 0 HB3 PRO A 115 2.633 4.274 -21.814 1.00 0.00 H new ATOM 0 HG2 PRO A 115 3.324 5.909 -24.238 1.00 0.00 H new ATOM 0 HG3 PRO A 115 3.041 6.440 -22.592 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.560 6.173 -23.653 1.00 0.00 H new ATOM 0 HD3 PRO A 115 5.235 6.012 -21.939 1.00 0.00 H new ATOM 1228 N VAL A 116 2.959 2.048 -24.854 1.00 0.00 N ATOM 1229 CA VAL A 116 2.833 1.506 -26.235 1.00 0.00 C ATOM 1230 C VAL A 116 1.870 2.381 -27.038 1.00 0.00 C ATOM 1231 O VAL A 116 0.929 2.938 -26.509 1.00 0.00 O ATOM 1232 CB VAL A 116 2.308 0.074 -26.073 1.00 0.00 C ATOM 1233 CG1 VAL A 116 3.112 -0.638 -24.986 1.00 0.00 C ATOM 1234 CG2 VAL A 116 0.829 0.083 -25.674 1.00 0.00 C ATOM 0 H VAL A 116 2.204 1.802 -24.214 1.00 0.00 H new ATOM 0 HA VAL A 116 3.779 1.503 -26.776 1.00 0.00 H new ATOM 0 HB VAL A 116 2.415 -0.446 -27.025 1.00 0.00 H new ATOM 0 HG11 VAL A 116 2.742 -1.656 -24.868 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.164 -0.665 -25.270 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.005 -0.101 -24.043 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.476 -0.942 -25.564 1.00 0.00 H new ATOM 0 HG22 VAL A 116 0.711 0.611 -24.728 1.00 0.00 H new ATOM 0 HG23 VAL A 116 0.247 0.587 -26.446 1.00 0.00 H new ATOM 1244 N LYS A 117 2.108 2.528 -28.310 1.00 0.00 N ATOM 1245 CA LYS A 117 1.211 3.386 -29.132 1.00 0.00 C ATOM 1246 C LYS A 117 0.587 2.574 -30.266 1.00 0.00 C ATOM 1247 O LYS A 117 1.256 1.824 -30.950 1.00 0.00 O ATOM 1248 CB LYS A 117 2.115 4.476 -29.698 1.00 0.00 C ATOM 1249 CG LYS A 117 1.264 5.471 -30.483 1.00 0.00 C ATOM 1250 CD LYS A 117 2.128 6.664 -30.899 1.00 0.00 C ATOM 1251 CE LYS A 117 3.121 6.225 -31.979 1.00 0.00 C ATOM 1252 NZ LYS A 117 3.792 7.481 -32.414 1.00 0.00 N ATOM 0 H LYS A 117 2.881 2.094 -28.815 1.00 0.00 H new ATOM 0 HA LYS A 117 0.389 3.797 -28.546 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.641 4.986 -28.891 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.874 4.037 -30.346 1.00 0.00 H new ATOM 0 HG2 LYS A 117 0.842 4.989 -31.365 1.00 0.00 H new ATOM 0 HG3 LYS A 117 0.426 5.810 -29.873 1.00 0.00 H new ATOM 0 HD2 LYS A 117 1.497 7.469 -31.276 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.664 7.057 -30.035 1.00 0.00 H new ATOM 0 HE2 LYS A 117 3.841 5.508 -31.586 1.00 0.00 H new ATOM 0 HE3 LYS A 117 2.611 5.740 -32.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 4.489 7.264 -33.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 3.082 8.142 -32.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 4.274 7.916 -31.602 1.00 0.00 H new ATOM 1266 N THR A 118 -0.691 2.722 -30.475 1.00 0.00 N ATOM 1267 CA THR A 118 -1.357 1.961 -31.567 1.00 0.00 C ATOM 1268 C THR A 118 -2.403 2.850 -32.256 1.00 0.00 C ATOM 1269 O THR A 118 -2.386 4.057 -32.119 1.00 0.00 O ATOM 1270 CB THR A 118 -2.005 0.756 -30.880 1.00 0.00 C ATOM 1271 OG1 THR A 118 -1.599 0.714 -29.520 1.00 0.00 O ATOM 1272 CG2 THR A 118 -1.559 -0.530 -31.576 1.00 0.00 C ATOM 0 H THR A 118 -1.302 3.336 -29.937 1.00 0.00 H new ATOM 0 HA THR A 118 -0.662 1.640 -32.343 1.00 0.00 H new ATOM 0 HB THR A 118 -3.090 0.847 -30.938 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.132 -0.130 -29.344 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.021 -1.388 -31.086 1.00 0.00 H new ATOM 0 HG22 THR A 118 -1.864 -0.502 -32.622 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.474 -0.619 -31.516 1.00 0.00 H new ATOM 1280 N LYS A 119 -3.292 2.270 -33.015 1.00 0.00 N ATOM 1281 CA LYS A 119 -4.313 3.093 -33.734 1.00 0.00 C ATOM 1282 C LYS A 119 -5.387 3.639 -32.783 1.00 0.00 C ATOM 1283 O LYS A 119 -5.753 4.795 -32.850 1.00 0.00 O ATOM 1284 CB LYS A 119 -4.945 2.137 -34.744 1.00 0.00 C ATOM 1285 CG LYS A 119 -5.890 2.919 -35.657 1.00 0.00 C ATOM 1286 CD LYS A 119 -6.189 2.098 -36.913 1.00 0.00 C ATOM 1287 CE LYS A 119 -7.186 2.856 -37.791 1.00 0.00 C ATOM 1288 NZ LYS A 119 -8.240 3.334 -36.854 1.00 0.00 N ATOM 0 H LYS A 119 -3.358 1.264 -33.170 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.855 3.965 -34.201 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.170 1.650 -35.335 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.491 1.350 -34.224 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.817 3.145 -35.129 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.439 3.872 -35.933 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.269 1.912 -37.467 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.597 1.126 -36.637 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -6.706 3.690 -38.303 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -7.606 2.208 -38.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -9.129 3.474 -37.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -8.385 2.627 -36.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -7.943 4.235 -36.427 1.00 0.00 H new ATOM 1302 N PHE A 120 -5.909 2.821 -31.915 1.00 0.00 N ATOM 1303 CA PHE A 120 -6.974 3.304 -30.982 1.00 0.00 C ATOM 1304 C PHE A 120 -6.510 4.566 -30.213 1.00 0.00 C ATOM 1305 O PHE A 120 -7.273 5.486 -29.993 1.00 0.00 O ATOM 1306 CB PHE A 120 -7.192 2.140 -29.994 1.00 0.00 C ATOM 1307 CG PHE A 120 -6.170 2.282 -28.913 1.00 0.00 C ATOM 1308 CD1 PHE A 120 -4.899 1.742 -29.091 1.00 0.00 C ATOM 1309 CD2 PHE A 120 -6.474 3.024 -27.773 1.00 0.00 C ATOM 1310 CE1 PHE A 120 -3.931 1.939 -28.115 1.00 0.00 C ATOM 1311 CE2 PHE A 120 -5.502 3.223 -26.798 1.00 0.00 C ATOM 1312 CZ PHE A 120 -4.233 2.679 -26.973 1.00 0.00 C ATOM 0 H PHE A 120 -5.648 1.841 -31.808 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.883 3.578 -31.518 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -8.199 2.172 -29.578 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.086 1.180 -30.500 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -4.668 1.175 -29.981 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -7.461 3.443 -27.647 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -2.944 1.519 -28.241 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -5.731 3.796 -25.911 1.00 0.00 H new ATOM 0 HZ PHE A 120 -3.476 2.831 -26.218 1.00 0.00 H new ATOM 1322 N GLY A 121 -5.273 4.583 -29.766 1.00 0.00 N ATOM 1323 CA GLY A 121 -4.761 5.740 -28.971 1.00 0.00 C ATOM 1324 C GLY A 121 -3.448 5.338 -28.267 1.00 0.00 C ATOM 1325 O GLY A 121 -2.508 4.905 -28.904 1.00 0.00 O ATOM 0 H GLY A 121 -4.595 3.837 -29.921 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -4.589 6.596 -29.624 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.503 6.045 -28.233 1.00 0.00 H new ATOM 1329 N TYR A 122 -3.372 5.472 -26.958 1.00 0.00 N ATOM 1330 CA TYR A 122 -2.108 5.089 -26.239 1.00 0.00 C ATOM 1331 C TYR A 122 -2.394 4.237 -24.992 1.00 0.00 C ATOM 1332 O TYR A 122 -3.499 4.209 -24.486 1.00 0.00 O ATOM 1333 CB TYR A 122 -1.473 6.388 -25.774 1.00 0.00 C ATOM 1334 CG TYR A 122 -1.337 7.379 -26.904 1.00 0.00 C ATOM 1335 CD1 TYR A 122 -0.839 6.978 -28.149 1.00 0.00 C ATOM 1336 CD2 TYR A 122 -1.678 8.717 -26.684 1.00 0.00 C ATOM 1337 CE1 TYR A 122 -0.687 7.921 -29.176 1.00 0.00 C ATOM 1338 CE2 TYR A 122 -1.518 9.655 -27.702 1.00 0.00 C ATOM 1339 CZ TYR A 122 -1.023 9.261 -28.949 1.00 0.00 C ATOM 1340 OH TYR A 122 -0.857 10.200 -29.948 1.00 0.00 O ATOM 0 H TYR A 122 -4.121 5.826 -26.363 1.00 0.00 H new ATOM 0 HA TYR A 122 -1.472 4.508 -26.907 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -2.077 6.824 -24.978 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -0.490 6.181 -25.351 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -0.572 5.945 -28.318 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -2.066 9.024 -25.724 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -0.311 7.614 -30.141 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -1.777 10.689 -27.527 1.00 0.00 H new ATOM 0 HH TYR A 122 -0.221 9.862 -30.612 1.00 0.00 H new ATOM 1350 N HIS A 123 -1.394 3.554 -24.485 1.00 0.00 N ATOM 1351 CA HIS A 123 -1.598 2.719 -23.261 1.00 0.00 C ATOM 1352 C HIS A 123 -0.426 2.873 -22.288 1.00 0.00 C ATOM 1353 O HIS A 123 0.641 2.338 -22.528 1.00 0.00 O ATOM 1354 CB HIS A 123 -1.571 1.256 -23.706 1.00 0.00 C ATOM 1355 CG HIS A 123 -2.706 0.894 -24.612 1.00 0.00 C ATOM 1356 ND1 HIS A 123 -3.987 0.633 -24.143 1.00 0.00 N ATOM 1357 CD2 HIS A 123 -2.731 0.620 -25.949 1.00 0.00 C ATOM 1358 CE1 HIS A 123 -4.716 0.206 -25.191 1.00 0.00 C ATOM 1359 NE2 HIS A 123 -3.997 0.168 -26.308 1.00 0.00 N ATOM 0 H HIS A 123 -0.448 3.540 -24.866 1.00 0.00 H new ATOM 0 HA HIS A 123 -2.529 3.020 -22.781 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -0.629 1.056 -24.217 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -1.599 0.615 -22.825 1.00 0.00 H new ATOM 0 HD1 HIS A 123 -4.314 0.744 -23.183 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -1.896 0.736 -26.624 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -5.758 -0.072 -25.131 1.00 0.00 H new ATOM 1367 N ILE A 124 -0.613 3.494 -21.160 1.00 0.00 N ATOM 1368 CA ILE A 124 0.517 3.521 -20.186 1.00 0.00 C ATOM 1369 C ILE A 124 0.203 2.417 -19.179 1.00 0.00 C ATOM 1370 O ILE A 124 -0.839 2.421 -18.553 1.00 0.00 O ATOM 1371 CB ILE A 124 0.575 4.914 -19.541 1.00 0.00 C ATOM 1372 CG1 ILE A 124 -0.831 5.404 -19.187 1.00 0.00 C ATOM 1373 CG2 ILE A 124 1.251 5.895 -20.504 1.00 0.00 C ATOM 1374 CD1 ILE A 124 -1.483 6.098 -20.390 1.00 0.00 C ATOM 0 H ILE A 124 -1.468 3.970 -20.873 1.00 0.00 H new ATOM 0 HA ILE A 124 1.494 3.346 -20.636 1.00 0.00 H new ATOM 0 HB ILE A 124 1.155 4.853 -18.620 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -1.446 4.562 -18.870 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -0.779 6.096 -18.346 1.00 0.00 H new ATOM 0 HG21 ILE A 124 1.292 6.884 -20.047 1.00 0.00 H new ATOM 0 HG22 ILE A 124 2.263 5.553 -20.721 1.00 0.00 H new ATOM 0 HG23 ILE A 124 0.679 5.947 -21.431 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -2.482 6.438 -20.116 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -0.877 6.953 -20.689 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -1.554 5.396 -21.221 1.00 0.00 H new ATOM 1386 N ILE A 125 1.046 1.428 -19.070 1.00 0.00 N ATOM 1387 CA ILE A 125 0.721 0.288 -18.163 1.00 0.00 C ATOM 1388 C ILE A 125 1.530 0.290 -16.869 1.00 0.00 C ATOM 1389 O ILE A 125 2.735 0.446 -16.860 1.00 0.00 O ATOM 1390 CB ILE A 125 1.048 -0.960 -18.979 1.00 0.00 C ATOM 1391 CG1 ILE A 125 0.079 -1.077 -20.157 1.00 0.00 C ATOM 1392 CG2 ILE A 125 0.917 -2.198 -18.089 1.00 0.00 C ATOM 1393 CD1 ILE A 125 0.481 -0.083 -21.249 1.00 0.00 C ATOM 0 H ILE A 125 1.936 1.358 -19.563 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.320 0.345 -17.845 1.00 0.00 H new ATOM 0 HB ILE A 125 2.068 -0.886 -19.357 1.00 0.00 H new ATOM 0 HG12 ILE A 125 0.091 -2.093 -20.552 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.940 -0.877 -19.825 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.150 -3.090 -18.670 1.00 0.00 H new ATOM 0 HG22 ILE A 125 1.610 -2.119 -17.252 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.103 -2.268 -17.711 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -0.209 -0.166 -22.089 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.446 0.930 -20.849 1.00 0.00 H new ATOM 0 HD13 ILE A 125 1.493 -0.304 -21.588 1.00 0.00 H new ATOM 1405 N MET A 126 0.850 0.059 -15.777 1.00 0.00 N ATOM 1406 CA MET A 126 1.518 -0.019 -14.449 1.00 0.00 C ATOM 1407 C MET A 126 1.292 -1.427 -13.889 1.00 0.00 C ATOM 1408 O MET A 126 0.169 -1.868 -13.746 1.00 0.00 O ATOM 1409 CB MET A 126 0.811 1.030 -13.589 1.00 0.00 C ATOM 1410 CG MET A 126 1.378 0.996 -12.168 1.00 0.00 C ATOM 1411 SD MET A 126 3.034 1.726 -12.164 1.00 0.00 S ATOM 1412 CE MET A 126 2.946 2.476 -10.519 1.00 0.00 C ATOM 0 H MET A 126 -0.160 -0.081 -15.752 1.00 0.00 H new ATOM 0 HA MET A 126 2.592 0.164 -14.485 1.00 0.00 H new ATOM 0 HB2 MET A 126 0.947 2.021 -14.022 1.00 0.00 H new ATOM 0 HB3 MET A 126 -0.261 0.835 -13.568 1.00 0.00 H new ATOM 0 HG2 MET A 126 0.725 1.546 -11.491 1.00 0.00 H new ATOM 0 HG3 MET A 126 1.421 -0.031 -11.806 1.00 0.00 H new ATOM 0 HE1 MET A 126 3.950 2.739 -10.185 1.00 0.00 H new ATOM 0 HE2 MET A 126 2.330 3.374 -10.561 1.00 0.00 H new ATOM 0 HE3 MET A 126 2.505 1.766 -9.819 1.00 0.00 H new ATOM 1422 N VAL A 127 2.336 -2.152 -13.599 1.00 0.00 N ATOM 1423 CA VAL A 127 2.143 -3.541 -13.086 1.00 0.00 C ATOM 1424 C VAL A 127 2.114 -3.572 -11.555 1.00 0.00 C ATOM 1425 O VAL A 127 2.815 -2.835 -10.890 1.00 0.00 O ATOM 1426 CB VAL A 127 3.337 -4.328 -13.620 1.00 0.00 C ATOM 1427 CG1 VAL A 127 3.125 -5.820 -13.363 1.00 0.00 C ATOM 1428 CG2 VAL A 127 3.466 -4.088 -15.125 1.00 0.00 C ATOM 0 H VAL A 127 3.305 -1.849 -13.693 1.00 0.00 H new ATOM 0 HA VAL A 127 1.192 -3.961 -13.412 1.00 0.00 H new ATOM 0 HB VAL A 127 4.245 -3.999 -13.114 1.00 0.00 H new ATOM 0 HG11 VAL A 127 3.979 -6.380 -13.745 1.00 0.00 H new ATOM 0 HG12 VAL A 127 3.027 -5.994 -12.292 1.00 0.00 H new ATOM 0 HG13 VAL A 127 2.218 -6.151 -13.869 1.00 0.00 H new ATOM 0 HG21 VAL A 127 4.318 -4.648 -15.511 1.00 0.00 H new ATOM 0 HG22 VAL A 127 2.556 -4.420 -15.626 1.00 0.00 H new ATOM 0 HG23 VAL A 127 3.616 -3.025 -15.312 1.00 0.00 H new ATOM 1438 N GLU A 128 1.302 -4.430 -10.994 1.00 0.00 N ATOM 1439 CA GLU A 128 1.214 -4.527 -9.508 1.00 0.00 C ATOM 1440 C GLU A 128 1.888 -5.814 -9.020 1.00 0.00 C ATOM 1441 O GLU A 128 2.682 -5.798 -8.099 1.00 0.00 O ATOM 1442 CB GLU A 128 -0.285 -4.561 -9.208 1.00 0.00 C ATOM 1443 CG GLU A 128 -0.506 -4.551 -7.693 1.00 0.00 C ATOM 1444 CD GLU A 128 -2.003 -4.451 -7.395 1.00 0.00 C ATOM 1445 OE1 GLU A 128 -2.753 -4.173 -8.316 1.00 0.00 O ATOM 1446 OE2 GLU A 128 -2.375 -4.655 -6.252 1.00 0.00 O ATOM 0 H GLU A 128 0.694 -5.070 -11.504 1.00 0.00 H new ATOM 0 HA GLU A 128 1.715 -3.698 -9.007 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -0.777 -3.701 -9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -0.733 -5.453 -9.645 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -0.096 -5.458 -7.249 1.00 0.00 H new ATOM 0 HG3 GLU A 128 0.022 -3.710 -7.244 1.00 0.00 H new ATOM 1453 N GLY A 129 1.577 -6.929 -9.627 1.00 0.00 N ATOM 1454 CA GLY A 129 2.202 -8.213 -9.193 1.00 0.00 C ATOM 1455 C GLY A 129 2.000 -9.282 -10.271 1.00 0.00 C ATOM 1456 O GLY A 129 1.021 -9.276 -10.993 1.00 0.00 O ATOM 0 H GLY A 129 0.919 -7.006 -10.403 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.266 -8.066 -9.010 1.00 0.00 H new ATOM 0 HA3 GLY A 129 1.759 -8.544 -8.253 1.00 0.00 H new ATOM 1460 N ARG A 130 2.922 -10.199 -10.387 1.00 0.00 N ATOM 1461 CA ARG A 130 2.791 -11.275 -11.415 1.00 0.00 C ATOM 1462 C ARG A 130 3.068 -12.639 -10.777 1.00 0.00 C ATOM 1463 O ARG A 130 3.727 -12.735 -9.760 1.00 0.00 O ATOM 1464 CB ARG A 130 3.857 -10.946 -12.464 1.00 0.00 C ATOM 1465 CG ARG A 130 3.816 -11.987 -13.585 1.00 0.00 C ATOM 1466 CD ARG A 130 4.893 -11.658 -14.625 1.00 0.00 C ATOM 1467 NE ARG A 130 4.886 -12.814 -15.566 1.00 0.00 N ATOM 1468 CZ ARG A 130 5.958 -13.102 -16.252 1.00 0.00 C ATOM 1469 NH1 ARG A 130 6.881 -13.866 -15.734 1.00 0.00 N ATOM 1470 NH2 ARG A 130 6.106 -12.630 -17.460 1.00 0.00 N ATOM 0 H ARG A 130 3.764 -10.251 -9.813 1.00 0.00 H new ATOM 0 HA ARG A 130 1.792 -11.321 -11.850 1.00 0.00 H new ATOM 0 HB2 ARG A 130 3.684 -9.950 -12.873 1.00 0.00 H new ATOM 0 HB3 ARG A 130 4.844 -10.934 -12.002 1.00 0.00 H new ATOM 0 HG2 ARG A 130 3.982 -12.984 -13.177 1.00 0.00 H new ATOM 0 HG3 ARG A 130 2.832 -11.994 -14.054 1.00 0.00 H new ATOM 0 HD2 ARG A 130 4.669 -10.726 -15.143 1.00 0.00 H new ATOM 0 HD3 ARG A 130 5.870 -11.536 -14.157 1.00 0.00 H new ATOM 0 HE ARG A 130 4.044 -13.379 -15.674 1.00 0.00 H new ATOM 0 HH11 ARG A 130 6.765 -14.239 -14.792 1.00 0.00 H new ATOM 0 HH12 ARG A 130 7.718 -14.090 -16.272 1.00 0.00 H new ATOM 0 HH21 ARG A 130 5.384 -12.036 -17.868 1.00 0.00 H new ATOM 0 HH22 ARG A 130 6.944 -12.855 -17.996 1.00 0.00 H new ATOM 1484 N LYS A 131 2.575 -13.697 -11.363 1.00 0.00 N ATOM 1485 CA LYS A 131 2.820 -15.049 -10.778 1.00 0.00 C ATOM 1486 C LYS A 131 4.318 -15.252 -10.532 1.00 0.00 C ATOM 1487 O LYS A 131 5.082 -14.373 -10.894 1.00 0.00 O ATOM 1488 CB LYS A 131 2.310 -16.040 -11.827 1.00 0.00 C ATOM 1489 CG LYS A 131 3.272 -16.073 -13.018 1.00 0.00 C ATOM 1490 CD LYS A 131 2.910 -17.241 -13.939 1.00 0.00 C ATOM 1491 CE LYS A 131 4.110 -17.577 -14.830 1.00 0.00 C ATOM 1492 NZ LYS A 131 3.533 -17.810 -16.184 1.00 0.00 N ATOM 1493 OXT LYS A 131 4.672 -16.282 -9.983 1.00 0.00 O ATOM 0 H LYS A 131 2.016 -13.685 -12.216 1.00 0.00 H new ATOM 0 HA LYS A 131 2.317 -15.180 -9.820 1.00 0.00 H new ATOM 0 HB2 LYS A 131 2.223 -17.035 -11.390 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.313 -15.751 -12.160 1.00 0.00 H new ATOM 0 HG2 LYS A 131 3.218 -15.133 -13.568 1.00 0.00 H new ATOM 0 HG3 LYS A 131 4.298 -16.179 -12.666 1.00 0.00 H new ATOM 0 HD2 LYS A 131 2.628 -18.111 -13.347 1.00 0.00 H new ATOM 0 HD3 LYS A 131 2.048 -16.980 -14.554 1.00 0.00 H new ATOM 0 HE2 LYS A 131 4.832 -16.760 -14.844 1.00 0.00 H new ATOM 0 HE3 LYS A 131 4.635 -18.461 -14.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 4.296 -18.046 -16.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 2.855 -18.597 -16.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 3.045 -16.950 -16.506 1.00 0.00 H new