USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 810 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 53 HIS : no HE2:sc= -3.76 K(o=-3.8,f=-8.3!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 151:sc= -0.271 (180deg=-1.08) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -33:sc= 0.131 USER MOD Single : B 53 HIS : no HE2:sc= -3.77 K(o=-3.8,f=-8!) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 66 GLN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 MET CE :methyl 134:sc= -0.266 (180deg=-1.06) USER MOD Single : B 85 SER OG : rot 180:sc= 0 USER MOD Single : B 94 THR OG1 : rot -31:sc= 0.123 USER MOD ----------------------------------------------------------------- ATOM 41 N ALA A 52 -4.519 -36.896 -3.493 1.00 0.00 N ATOM 42 CA ALA A 52 -4.784 -35.789 -2.581 1.00 0.00 C ATOM 43 C ALA A 52 -3.860 -34.612 -2.874 1.00 0.00 C ATOM 44 O ALA A 52 -2.638 -34.740 -2.809 1.00 0.00 O ATOM 45 CB ALA A 52 -4.626 -36.244 -1.138 1.00 0.00 C ATOM 0 HA ALA A 52 -5.812 -35.459 -2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.827 -35.407 -0.469 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.329 -37.051 -0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.608 -36.600 -0.978 1.00 0.00 H new ATOM 51 N HIS A 53 -4.452 -33.467 -3.203 1.00 0.00 N ATOM 52 CA HIS A 53 -3.678 -32.271 -3.517 1.00 0.00 C ATOM 53 C HIS A 53 -4.398 -31.010 -3.043 1.00 0.00 C ATOM 54 O HIS A 53 -4.990 -30.287 -3.846 1.00 0.00 O ATOM 55 CB HIS A 53 -3.439 -32.191 -5.028 1.00 0.00 C ATOM 56 CG HIS A 53 -2.136 -32.785 -5.469 1.00 0.00 C ATOM 57 ND1 HIS A 53 -1.303 -33.490 -4.625 1.00 0.00 N ATOM 58 CD2 HIS A 53 -1.528 -32.782 -6.679 1.00 0.00 C ATOM 59 CE1 HIS A 53 -0.238 -33.892 -5.296 1.00 0.00 C ATOM 60 NE2 HIS A 53 -0.351 -33.475 -6.544 1.00 0.00 N ATOM 0 H HIS A 53 -5.463 -33.343 -3.259 1.00 0.00 H new ATOM 0 HA HIS A 53 -2.723 -32.336 -2.997 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -4.253 -32.702 -5.542 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.474 -31.146 -5.337 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -1.481 -33.672 -3.637 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.900 -32.320 -7.582 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.585 -34.464 -4.893 1.00 0.00 H new ATOM 69 N LEU A 54 -4.351 -30.748 -1.736 1.00 0.00 N ATOM 70 CA LEU A 54 -5.011 -29.574 -1.171 1.00 0.00 C ATOM 71 C LEU A 54 -4.757 -29.470 0.348 1.00 0.00 C ATOM 72 O LEU A 54 -3.605 -29.509 0.786 1.00 0.00 O ATOM 73 CB LEU A 54 -6.513 -29.638 -1.483 1.00 0.00 C ATOM 74 CG LEU A 54 -7.232 -28.287 -1.519 1.00 0.00 C ATOM 75 CD1 LEU A 54 -7.527 -27.878 -2.955 1.00 0.00 C ATOM 76 CD2 LEU A 54 -8.518 -28.340 -0.705 1.00 0.00 C ATOM 0 H LEU A 54 -3.865 -31.330 -1.054 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.593 -28.676 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.646 -30.128 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.996 -30.268 -0.736 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.576 -27.539 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.038 -26.915 -2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.592 -27.796 -3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.162 -28.629 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.013 -27.370 -0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.179 -29.102 -1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.283 -28.586 0.331 1.00 0.00 H new ATOM 88 N THR A 55 -5.837 -29.338 1.135 1.00 0.00 N ATOM 89 CA THR A 55 -5.772 -29.235 2.601 1.00 0.00 C ATOM 90 C THR A 55 -4.438 -28.698 3.130 1.00 0.00 C ATOM 91 O THR A 55 -4.306 -27.504 3.406 1.00 0.00 O ATOM 92 CB THR A 55 -6.077 -30.596 3.228 1.00 0.00 C ATOM 93 OG1 THR A 55 -7.382 -31.024 2.884 1.00 0.00 O ATOM 94 CG2 THR A 55 -5.977 -30.603 4.740 1.00 0.00 C ATOM 0 H THR A 55 -6.788 -29.299 0.768 1.00 0.00 H new ATOM 0 HA THR A 55 -6.525 -28.503 2.891 1.00 0.00 H new ATOM 0 HB THR A 55 -5.319 -31.270 2.830 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.558 -31.897 3.293 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.206 -31.600 5.115 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.966 -30.326 5.039 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.687 -29.887 5.155 1.00 0.00 H new ATOM 102 N GLU A 56 -3.465 -29.588 3.303 1.00 0.00 N ATOM 103 CA GLU A 56 -2.161 -29.204 3.829 1.00 0.00 C ATOM 104 C GLU A 56 -1.447 -28.221 2.907 1.00 0.00 C ATOM 105 O GLU A 56 -1.248 -27.058 3.256 1.00 0.00 O ATOM 106 CB GLU A 56 -1.293 -30.448 4.039 1.00 0.00 C ATOM 107 CG GLU A 56 -1.265 -30.933 5.480 1.00 0.00 C ATOM 108 CD GLU A 56 -0.841 -29.848 6.451 1.00 0.00 C ATOM 109 OE1 GLU A 56 0.377 -29.706 6.690 1.00 0.00 O ATOM 110 OE2 GLU A 56 -1.728 -29.141 6.975 1.00 0.00 O ATOM 0 H GLU A 56 -3.556 -30.581 3.086 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.323 -28.706 4.785 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.663 -31.251 3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.275 -30.229 3.718 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.255 -31.297 5.757 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.580 -31.777 5.562 1.00 0.00 H new ATOM 117 N VAL A 57 -1.052 -28.696 1.734 1.00 0.00 N ATOM 118 CA VAL A 57 -0.344 -27.854 0.775 1.00 0.00 C ATOM 119 C VAL A 57 -1.146 -26.600 0.441 1.00 0.00 C ATOM 120 O VAL A 57 -0.601 -25.488 0.413 1.00 0.00 O ATOM 121 CB VAL A 57 -0.020 -28.602 -0.529 1.00 0.00 C ATOM 122 CG1 VAL A 57 1.191 -27.977 -1.209 1.00 0.00 C ATOM 123 CG2 VAL A 57 0.219 -30.083 -0.272 1.00 0.00 C ATOM 0 H VAL A 57 -1.208 -29.655 1.423 1.00 0.00 H new ATOM 0 HA VAL A 57 0.593 -27.571 1.255 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.881 -28.513 -1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.409 -28.516 -2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.980 -26.933 -1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.052 -28.034 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.446 -30.584 -1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.058 -30.203 0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.675 -30.525 0.168 1.00 0.00 H new ATOM 133 N GLU A 58 -2.448 -26.771 0.207 1.00 0.00 N ATOM 134 CA GLU A 58 -3.306 -25.633 -0.101 1.00 0.00 C ATOM 135 C GLU A 58 -3.144 -24.570 0.976 1.00 0.00 C ATOM 136 O GLU A 58 -2.922 -23.397 0.690 1.00 0.00 O ATOM 137 CB GLU A 58 -4.773 -26.074 -0.235 1.00 0.00 C ATOM 138 CG GLU A 58 -5.593 -25.964 1.043 1.00 0.00 C ATOM 139 CD GLU A 58 -7.086 -26.044 0.792 1.00 0.00 C ATOM 140 OE1 GLU A 58 -7.522 -25.671 -0.317 1.00 0.00 O ATOM 141 OE2 GLU A 58 -7.820 -26.478 1.705 1.00 0.00 O ATOM 0 H GLU A 58 -2.923 -27.673 0.225 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.007 -25.208 -1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.249 -25.472 -1.008 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.797 -27.109 -0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.301 -26.761 1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.362 -25.020 1.537 1.00 0.00 H new ATOM 148 N SER A 59 -3.217 -25.005 2.220 1.00 0.00 N ATOM 149 CA SER A 59 -3.044 -24.103 3.346 1.00 0.00 C ATOM 150 C SER A 59 -1.610 -23.585 3.372 1.00 0.00 C ATOM 151 O SER A 59 -1.316 -22.566 3.988 1.00 0.00 O ATOM 152 CB SER A 59 -3.375 -24.812 4.661 1.00 0.00 C ATOM 153 OG SER A 59 -3.025 -24.011 5.775 1.00 0.00 O ATOM 0 H SER A 59 -3.395 -25.976 2.477 1.00 0.00 H new ATOM 0 HA SER A 59 -3.728 -23.262 3.231 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.440 -25.042 4.695 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.842 -25.761 4.710 1.00 0.00 H new ATOM 0 HG SER A 59 -3.248 -24.486 6.603 1.00 0.00 H new ATOM 159 N ARG A 60 -0.719 -24.314 2.700 1.00 0.00 N ATOM 160 CA ARG A 60 0.687 -23.956 2.637 1.00 0.00 C ATOM 161 C ARG A 60 0.915 -22.714 1.801 1.00 0.00 C ATOM 162 O ARG A 60 1.233 -21.652 2.341 1.00 0.00 O ATOM 163 CB ARG A 60 1.503 -25.113 2.062 1.00 0.00 C ATOM 164 CG ARG A 60 2.963 -25.099 2.484 1.00 0.00 C ATOM 165 CD ARG A 60 3.174 -25.858 3.784 1.00 0.00 C ATOM 166 NE ARG A 60 2.754 -25.080 4.947 1.00 0.00 N ATOM 167 CZ ARG A 60 2.490 -25.612 6.140 1.00 0.00 C ATOM 168 NH1 ARG A 60 2.598 -26.921 6.327 1.00 0.00 N ATOM 169 NH2 ARG A 60 2.115 -24.833 7.144 1.00 0.00 N ATOM 0 H ARG A 60 -0.956 -25.164 2.188 1.00 0.00 H new ATOM 0 HA ARG A 60 1.013 -23.745 3.655 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.052 -26.055 2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.448 -25.079 0.974 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.574 -25.544 1.699 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.298 -24.069 2.604 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.615 -26.793 3.752 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.227 -26.120 3.884 1.00 0.00 H new ATOM 0 HE ARG A 60 2.657 -24.070 4.840 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.884 -27.524 5.556 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.395 -27.324 7.242 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.028 -23.826 7.004 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.913 -25.240 8.057 1.00 0.00 H new ATOM 183 N LEU A 61 0.764 -22.829 0.483 1.00 0.00 N ATOM 184 CA LEU A 61 0.977 -21.667 -0.366 1.00 0.00 C ATOM 185 C LEU A 61 -0.015 -20.584 0.011 1.00 0.00 C ATOM 186 O LEU A 61 0.315 -19.395 0.087 1.00 0.00 O ATOM 187 CB LEU A 61 0.877 -22.042 -1.836 1.00 0.00 C ATOM 188 CG LEU A 61 2.228 -22.298 -2.498 1.00 0.00 C ATOM 189 CD1 LEU A 61 3.074 -21.037 -2.482 1.00 0.00 C ATOM 190 CD2 LEU A 61 2.956 -23.435 -1.794 1.00 0.00 C ATOM 0 H LEU A 61 0.504 -23.686 -0.005 1.00 0.00 H new ATOM 0 HA LEU A 61 1.985 -21.282 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.260 -22.935 -1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.366 -21.242 -2.372 1.00 0.00 H new ATOM 0 HG LEU A 61 2.056 -22.586 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.034 -21.237 -2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.558 -20.245 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.238 -20.722 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.918 -23.606 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.117 -23.172 -0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.355 -24.343 -1.851 1.00 0.00 H new ATOM 202 N GLU A 62 -1.226 -21.013 0.310 1.00 0.00 N ATOM 203 CA GLU A 62 -2.256 -20.093 0.752 1.00 0.00 C ATOM 204 C GLU A 62 -1.721 -19.286 1.934 1.00 0.00 C ATOM 205 O GLU A 62 -1.943 -18.076 2.027 1.00 0.00 O ATOM 206 CB GLU A 62 -3.517 -20.852 1.147 1.00 0.00 C ATOM 207 CG GLU A 62 -4.627 -19.965 1.685 1.00 0.00 C ATOM 208 CD GLU A 62 -6.007 -20.506 1.374 1.00 0.00 C ATOM 209 OE1 GLU A 62 -6.540 -20.186 0.289 1.00 0.00 O ATOM 210 OE2 GLU A 62 -6.557 -21.250 2.212 1.00 0.00 O ATOM 0 H GLU A 62 -1.520 -21.988 0.255 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.517 -19.417 -0.062 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.889 -21.396 0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.260 -21.595 1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.515 -19.864 2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.528 -18.966 1.259 1.00 0.00 H new ATOM 217 N ARG A 63 -0.972 -19.956 2.821 1.00 0.00 N ATOM 218 CA ARG A 63 -0.376 -19.270 3.958 1.00 0.00 C ATOM 219 C ARG A 63 0.737 -18.355 3.463 1.00 0.00 C ATOM 220 O ARG A 63 1.014 -17.315 4.062 1.00 0.00 O ATOM 221 CB ARG A 63 0.174 -20.266 4.982 1.00 0.00 C ATOM 222 CG ARG A 63 0.574 -19.619 6.300 1.00 0.00 C ATOM 223 CD ARG A 63 2.029 -19.897 6.644 1.00 0.00 C ATOM 224 NE ARG A 63 2.171 -21.038 7.546 1.00 0.00 N ATOM 225 CZ ARG A 63 1.700 -21.063 8.791 1.00 0.00 C ATOM 226 NH1 ARG A 63 1.058 -20.012 9.287 1.00 0.00 N ATOM 227 NH2 ARG A 63 1.873 -22.140 9.542 1.00 0.00 N ATOM 0 H ARG A 63 -0.771 -20.955 2.769 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.147 -18.679 4.453 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.579 -21.030 5.175 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.041 -20.772 4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.413 -18.543 6.241 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.067 -19.993 7.098 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.588 -20.088 5.728 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.467 -19.013 7.107 1.00 0.00 H new ATOM 0 HE ARG A 63 2.660 -21.864 7.201 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.923 -19.179 8.713 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.699 -20.037 10.242 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.367 -22.950 9.166 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.512 -22.160 10.496 1.00 0.00 H new ATOM 241 N LEU A 64 1.350 -18.740 2.342 1.00 0.00 N ATOM 242 CA LEU A 64 2.409 -17.939 1.743 1.00 0.00 C ATOM 243 C LEU A 64 1.834 -16.608 1.289 1.00 0.00 C ATOM 244 O LEU A 64 2.527 -15.591 1.257 1.00 0.00 O ATOM 245 CB LEU A 64 3.065 -18.691 0.575 1.00 0.00 C ATOM 246 CG LEU A 64 3.932 -17.841 -0.363 1.00 0.00 C ATOM 247 CD1 LEU A 64 5.410 -18.064 -0.077 1.00 0.00 C ATOM 248 CD2 LEU A 64 3.616 -18.166 -1.816 1.00 0.00 C ATOM 0 H LEU A 64 1.130 -19.598 1.836 1.00 0.00 H new ATOM 0 HA LEU A 64 3.186 -17.752 2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.682 -19.491 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.280 -19.163 -0.015 1.00 0.00 H new ATOM 0 HG LEU A 64 3.704 -16.790 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.008 -17.452 -0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.627 -17.784 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.655 -19.115 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.239 -17.555 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.817 -19.220 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.565 -17.956 -2.016 1.00 0.00 H new ATOM 260 N GLU A 65 0.547 -16.624 0.980 1.00 0.00 N ATOM 261 CA GLU A 65 -0.156 -15.419 0.569 1.00 0.00 C ATOM 262 C GLU A 65 -0.705 -14.707 1.804 1.00 0.00 C ATOM 263 O GLU A 65 -0.898 -13.492 1.803 1.00 0.00 O ATOM 264 CB GLU A 65 -1.289 -15.759 -0.397 1.00 0.00 C ATOM 265 CG GLU A 65 -1.758 -14.570 -1.217 1.00 0.00 C ATOM 266 CD GLU A 65 -2.475 -14.979 -2.489 1.00 0.00 C ATOM 267 OE1 GLU A 65 -2.368 -16.162 -2.877 1.00 0.00 O ATOM 268 OE2 GLU A 65 -3.145 -14.118 -3.096 1.00 0.00 O ATOM 0 H GLU A 65 -0.034 -17.462 1.006 1.00 0.00 H new ATOM 0 HA GLU A 65 0.541 -14.759 0.052 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.957 -16.548 -1.072 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.132 -16.156 0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.425 -13.957 -0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.899 -13.950 -1.473 1.00 0.00 H new ATOM 275 N GLN A 66 -0.933 -15.484 2.865 1.00 0.00 N ATOM 276 CA GLN A 66 -1.435 -14.953 4.125 1.00 0.00 C ATOM 277 C GLN A 66 -2.880 -14.483 4.009 1.00 0.00 C ATOM 278 O GLN A 66 -3.800 -15.159 4.471 1.00 0.00 O ATOM 279 CB GLN A 66 -0.542 -13.806 4.599 1.00 0.00 C ATOM 280 CG GLN A 66 0.038 -14.022 5.987 1.00 0.00 C ATOM 281 CD GLN A 66 1.548 -13.894 6.016 1.00 0.00 C ATOM 282 OE1 GLN A 66 2.266 -14.758 5.511 1.00 0.00 O ATOM 283 NE2 GLN A 66 2.039 -12.813 6.611 1.00 0.00 N ATOM 0 H GLN A 66 -0.775 -16.492 2.871 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.412 -15.759 4.858 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.275 -13.675 3.889 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.119 -12.881 4.595 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.397 -13.297 6.675 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.246 -15.012 6.345 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.407 -12.122 7.016 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.048 -12.673 6.663 1.00 0.00 H new ATOM 292 N LEU A 67 -3.077 -13.319 3.403 1.00 0.00 N ATOM 293 CA LEU A 67 -4.413 -12.764 3.244 1.00 0.00 C ATOM 294 C LEU A 67 -4.836 -12.742 1.780 1.00 0.00 C ATOM 295 O LEU A 67 -5.422 -11.766 1.312 1.00 0.00 O ATOM 296 CB LEU A 67 -4.471 -11.351 3.832 1.00 0.00 C ATOM 297 CG LEU A 67 -4.845 -11.280 5.315 1.00 0.00 C ATOM 298 CD1 LEU A 67 -3.662 -11.678 6.184 1.00 0.00 C ATOM 299 CD2 LEU A 67 -5.327 -9.883 5.676 1.00 0.00 C ATOM 0 H LEU A 67 -2.330 -12.743 3.015 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.109 -13.406 3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.499 -10.877 3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.194 -10.767 3.263 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.657 -11.983 5.499 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.947 -11.621 7.235 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.361 -12.698 5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.829 -11.000 5.997 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.589 -9.850 6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.535 -9.162 5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.204 -9.635 5.078 1.00 0.00 H new ATOM 311 N PHE A 68 -4.537 -13.825 1.057 1.00 0.00 N ATOM 312 CA PHE A 68 -4.895 -13.927 -0.359 1.00 0.00 C ATOM 313 C PHE A 68 -6.279 -13.338 -0.632 1.00 0.00 C ATOM 314 O PHE A 68 -7.300 -13.944 -0.310 1.00 0.00 O ATOM 315 CB PHE A 68 -4.859 -15.387 -0.807 1.00 0.00 C ATOM 316 CG PHE A 68 -5.863 -16.258 -0.110 1.00 0.00 C ATOM 317 CD1 PHE A 68 -5.631 -16.711 1.180 1.00 0.00 C ATOM 318 CD2 PHE A 68 -7.039 -16.625 -0.744 1.00 0.00 C ATOM 319 CE1 PHE A 68 -6.554 -17.514 1.822 1.00 0.00 C ATOM 320 CE2 PHE A 68 -7.966 -17.428 -0.106 1.00 0.00 C ATOM 321 CZ PHE A 68 -7.723 -17.872 1.180 1.00 0.00 C ATOM 0 H PHE A 68 -4.050 -14.641 1.428 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.164 -13.352 -0.927 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.036 -15.432 -1.882 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.860 -15.787 -0.631 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.719 -16.433 1.688 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.234 -16.280 -1.749 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.361 -17.862 2.826 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.878 -17.708 -0.612 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.446 -18.498 1.682 1.00 0.00 H new ATOM 331 N LEU A 69 -6.301 -12.150 -1.228 1.00 0.00 N ATOM 332 CA LEU A 69 -7.553 -11.474 -1.544 1.00 0.00 C ATOM 333 C LEU A 69 -7.427 -10.679 -2.840 1.00 0.00 C ATOM 334 O LEU A 69 -8.065 -10.999 -3.842 1.00 0.00 O ATOM 335 CB LEU A 69 -7.960 -10.551 -0.395 1.00 0.00 C ATOM 336 CG LEU A 69 -9.374 -10.773 0.144 1.00 0.00 C ATOM 337 CD1 LEU A 69 -10.395 -10.698 -0.980 1.00 0.00 C ATOM 338 CD2 LEU A 69 -9.467 -12.111 0.862 1.00 0.00 C ATOM 0 H LEU A 69 -5.464 -11.635 -1.502 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.326 -12.230 -1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.251 -10.680 0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.874 -9.518 -0.731 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.596 -9.982 0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.394 -10.859 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.347 -9.716 -1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.176 -11.466 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.480 -12.252 1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.223 -12.915 0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.764 -12.126 1.695 1.00 0.00 H new ATOM 350 N LEU A 70 -6.600 -9.637 -2.812 1.00 0.00 N ATOM 351 CA LEU A 70 -6.392 -8.795 -3.984 1.00 0.00 C ATOM 352 C LEU A 70 -4.987 -8.198 -3.986 1.00 0.00 C ATOM 353 O LEU A 70 -4.098 -8.684 -4.687 1.00 0.00 O ATOM 354 CB LEU A 70 -7.437 -7.677 -4.029 1.00 0.00 C ATOM 355 CG LEU A 70 -8.859 -8.133 -4.358 1.00 0.00 C ATOM 356 CD1 LEU A 70 -9.858 -7.028 -4.054 1.00 0.00 C ATOM 357 CD2 LEU A 70 -8.957 -8.557 -5.815 1.00 0.00 C ATOM 0 H LEU A 70 -6.064 -9.357 -1.991 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.501 -9.419 -4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.448 -7.172 -3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.127 -6.941 -4.770 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.099 -8.993 -3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.864 -7.371 -4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.805 -6.771 -2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.622 -6.149 -4.653 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.975 -8.879 -6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.697 -7.715 -6.457 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.269 -9.381 -6.001 1.00 0.00 H new ATOM 369 N ILE A 71 -4.792 -7.143 -3.201 1.00 0.00 N ATOM 370 CA ILE A 71 -3.495 -6.482 -3.118 1.00 0.00 C ATOM 371 C ILE A 71 -2.865 -6.663 -1.738 1.00 0.00 C ATOM 372 O ILE A 71 -2.039 -5.855 -1.312 1.00 0.00 O ATOM 373 CB ILE A 71 -3.617 -4.975 -3.430 1.00 0.00 C ATOM 374 CG1 ILE A 71 -2.229 -4.339 -3.557 1.00 0.00 C ATOM 375 CG2 ILE A 71 -4.436 -4.270 -2.359 1.00 0.00 C ATOM 376 CD1 ILE A 71 -2.016 -3.611 -4.866 1.00 0.00 C ATOM 0 H ILE A 71 -5.515 -6.728 -2.614 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.852 -6.950 -3.863 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.134 -4.862 -4.383 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.082 -3.640 -2.734 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.471 -5.116 -3.455 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.510 -3.209 -2.597 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.435 -4.704 -2.320 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.950 -4.391 -1.391 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.013 -3.186 -4.887 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.131 -4.310 -5.694 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.751 -2.812 -4.961 1.00 0.00 H new ATOM 388 N PHE A 72 -3.258 -7.726 -1.043 1.00 0.00 N ATOM 389 CA PHE A 72 -2.729 -8.009 0.287 1.00 0.00 C ATOM 390 C PHE A 72 -2.946 -6.823 1.227 1.00 0.00 C ATOM 391 O PHE A 72 -2.106 -5.927 1.311 1.00 0.00 O ATOM 392 CB PHE A 72 -1.238 -8.339 0.202 1.00 0.00 C ATOM 393 CG PHE A 72 -0.699 -9.004 1.437 1.00 0.00 C ATOM 394 CD1 PHE A 72 -0.634 -8.317 2.639 1.00 0.00 C ATOM 395 CD2 PHE A 72 -0.256 -10.317 1.395 1.00 0.00 C ATOM 396 CE1 PHE A 72 -0.138 -8.927 3.775 1.00 0.00 C ATOM 397 CE2 PHE A 72 0.241 -10.933 2.528 1.00 0.00 C ATOM 398 CZ PHE A 72 0.301 -10.236 3.719 1.00 0.00 C ATOM 0 H PHE A 72 -3.941 -8.405 -1.379 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.265 -8.869 0.689 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.067 -8.990 -0.655 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.680 -7.420 0.021 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.975 -7.293 2.688 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.300 -10.865 0.466 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.093 -8.381 4.706 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.582 -11.957 2.482 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.691 -10.714 4.606 1.00 0.00 H new ATOM 408 N PRO A 73 -4.080 -6.801 1.949 1.00 0.00 N ATOM 409 CA PRO A 73 -4.399 -5.717 2.883 1.00 0.00 C ATOM 410 C PRO A 73 -3.489 -5.721 4.107 1.00 0.00 C ATOM 411 O PRO A 73 -3.596 -6.593 4.970 1.00 0.00 O ATOM 412 CB PRO A 73 -5.846 -6.010 3.291 1.00 0.00 C ATOM 413 CG PRO A 73 -6.010 -7.476 3.083 1.00 0.00 C ATOM 414 CD PRO A 73 -5.138 -7.829 1.911 1.00 0.00 C ATOM 0 HA PRO A 73 -4.262 -4.736 2.429 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.028 -5.735 4.330 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.551 -5.443 2.683 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.712 -8.032 3.972 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.052 -7.728 2.884 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.726 -8.834 2.005 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.694 -7.799 0.974 1.00 0.00 H new ATOM 422 N ARG A 74 -2.594 -4.742 4.175 1.00 0.00 N ATOM 423 CA ARG A 74 -1.664 -4.634 5.297 1.00 0.00 C ATOM 424 C ARG A 74 -1.387 -3.173 5.639 1.00 0.00 C ATOM 425 O ARG A 74 -1.370 -2.311 4.761 1.00 0.00 O ATOM 426 CB ARG A 74 -0.353 -5.351 4.971 1.00 0.00 C ATOM 427 CG ARG A 74 0.257 -6.073 6.162 1.00 0.00 C ATOM 428 CD ARG A 74 1.032 -5.120 7.057 1.00 0.00 C ATOM 429 NE ARG A 74 0.475 -5.060 8.406 1.00 0.00 N ATOM 430 CZ ARG A 74 1.114 -4.533 9.449 1.00 0.00 C ATOM 431 NH1 ARG A 74 2.326 -4.016 9.302 1.00 0.00 N ATOM 432 NH2 ARG A 74 0.534 -4.522 10.642 1.00 0.00 N ATOM 0 H ARG A 74 -2.491 -4.013 3.469 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.125 -5.109 6.163 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.531 -6.071 4.172 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.365 -4.624 4.591 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.532 -6.555 6.739 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.921 -6.862 5.809 1.00 0.00 H new ATOM 0 HD2 ARG A 74 2.073 -5.438 7.109 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.024 -4.123 6.617 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.458 -5.444 8.558 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.775 -4.020 8.386 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.810 -3.614 10.105 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.399 -4.917 10.759 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.021 -4.119 11.442 1.00 0.00 H new ATOM 446 N GLU A 75 -1.171 -2.906 6.924 1.00 0.00 N ATOM 447 CA GLU A 75 -0.893 -1.552 7.392 1.00 0.00 C ATOM 448 C GLU A 75 -2.001 -0.590 6.977 1.00 0.00 C ATOM 449 O GLU A 75 -2.949 -0.975 6.293 1.00 0.00 O ATOM 450 CB GLU A 75 0.452 -1.065 6.849 1.00 0.00 C ATOM 451 CG GLU A 75 1.259 -0.260 7.855 1.00 0.00 C ATOM 452 CD GLU A 75 2.700 -0.718 7.950 1.00 0.00 C ATOM 453 OE1 GLU A 75 3.408 -0.669 6.921 1.00 0.00 O ATOM 454 OE2 GLU A 75 3.122 -1.128 9.051 1.00 0.00 O ATOM 0 H GLU A 75 -1.183 -3.611 7.661 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.849 -1.576 8.481 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.039 -1.926 6.531 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.277 -0.454 5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.235 0.793 7.575 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.791 -0.339 8.836 1.00 0.00 H new ATOM 461 N ASP A 76 -1.872 0.666 7.393 1.00 0.00 N ATOM 462 CA ASP A 76 -2.859 1.688 7.065 1.00 0.00 C ATOM 463 C ASP A 76 -2.195 2.881 6.390 1.00 0.00 C ATOM 464 O ASP A 76 -2.572 4.030 6.620 1.00 0.00 O ATOM 465 CB ASP A 76 -3.590 2.144 8.330 1.00 0.00 C ATOM 466 CG ASP A 76 -5.060 2.420 8.082 1.00 0.00 C ATOM 467 OD1 ASP A 76 -5.384 3.012 7.030 1.00 0.00 O ATOM 468 OD2 ASP A 76 -5.888 2.045 8.938 1.00 0.00 O ATOM 0 H ASP A 76 -1.092 1.001 7.959 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.582 1.255 6.373 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.492 1.378 9.099 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.114 3.046 8.716 1.00 0.00 H new ATOM 473 N LEU A 77 -1.202 2.601 5.551 1.00 0.00 N ATOM 474 CA LEU A 77 -0.482 3.651 4.841 1.00 0.00 C ATOM 475 C LEU A 77 -1.009 3.804 3.418 1.00 0.00 C ATOM 476 O LEU A 77 -0.252 4.086 2.489 1.00 0.00 O ATOM 477 CB LEU A 77 1.017 3.343 4.822 1.00 0.00 C ATOM 478 CG LEU A 77 1.900 4.396 5.494 1.00 0.00 C ATOM 479 CD1 LEU A 77 3.123 3.746 6.122 1.00 0.00 C ATOM 480 CD2 LEU A 77 2.315 5.460 4.488 1.00 0.00 C ATOM 0 H LEU A 77 -0.878 1.656 5.347 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.642 4.592 5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.182 2.384 5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.337 3.229 3.786 1.00 0.00 H new ATOM 0 HG LEU A 77 1.325 4.876 6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.739 4.511 6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.805 3.021 6.871 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.703 3.240 5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.943 6.202 4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.873 4.995 3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.426 5.946 4.085 1.00 0.00 H new ATOM 492 N ASP A 78 -2.312 3.615 3.257 1.00 0.00 N ATOM 493 CA ASP A 78 -2.949 3.733 1.952 1.00 0.00 C ATOM 494 C ASP A 78 -3.915 4.914 1.920 1.00 0.00 C ATOM 495 O ASP A 78 -4.807 4.974 1.072 1.00 0.00 O ATOM 496 CB ASP A 78 -3.690 2.439 1.608 1.00 0.00 C ATOM 497 CG ASP A 78 -2.908 1.561 0.650 1.00 0.00 C ATOM 498 OD1 ASP A 78 -2.603 2.027 -0.468 1.00 0.00 O ATOM 499 OD2 ASP A 78 -2.599 0.409 1.019 1.00 0.00 O ATOM 0 H ASP A 78 -2.950 3.379 4.017 1.00 0.00 H new ATOM 0 HA ASP A 78 -2.171 3.908 1.209 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.890 1.884 2.524 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.656 2.683 1.166 1.00 0.00 H new ATOM 504 N MET A 79 -3.733 5.855 2.842 1.00 0.00 N ATOM 505 CA MET A 79 -4.587 7.033 2.911 1.00 0.00 C ATOM 506 C MET A 79 -4.342 7.947 1.714 1.00 0.00 C ATOM 507 O MET A 79 -5.238 8.666 1.276 1.00 0.00 O ATOM 508 CB MET A 79 -4.336 7.797 4.213 1.00 0.00 C ATOM 509 CG MET A 79 -5.236 7.357 5.358 1.00 0.00 C ATOM 510 SD MET A 79 -5.415 8.625 6.628 1.00 0.00 S ATOM 511 CE MET A 79 -7.178 8.546 6.939 1.00 0.00 C ATOM 0 H MET A 79 -3.001 5.823 3.551 1.00 0.00 H new ATOM 0 HA MET A 79 -5.626 6.703 2.889 1.00 0.00 H new ATOM 0 HB2 MET A 79 -3.295 7.664 4.508 1.00 0.00 H new ATOM 0 HB3 MET A 79 -4.483 8.862 4.034 1.00 0.00 H new ATOM 0 HG2 MET A 79 -6.220 7.101 4.964 1.00 0.00 H new ATOM 0 HG3 MET A 79 -4.828 6.452 5.808 1.00 0.00 H new ATOM 0 HE1 MET A 79 -7.445 9.274 7.705 1.00 0.00 H new ATOM 0 HE2 MET A 79 -7.720 8.770 6.020 1.00 0.00 H new ATOM 0 HE3 MET A 79 -7.443 7.546 7.282 1.00 0.00 H new ATOM 521 N ILE A 80 -3.123 7.906 1.187 1.00 0.00 N ATOM 522 CA ILE A 80 -2.763 8.726 0.039 1.00 0.00 C ATOM 523 C ILE A 80 -3.276 8.105 -1.256 1.00 0.00 C ATOM 524 O ILE A 80 -3.849 8.791 -2.102 1.00 0.00 O ATOM 525 CB ILE A 80 -1.236 8.912 -0.065 1.00 0.00 C ATOM 526 CG1 ILE A 80 -0.654 9.326 1.289 1.00 0.00 C ATOM 527 CG2 ILE A 80 -0.899 9.945 -1.129 1.00 0.00 C ATOM 528 CD1 ILE A 80 -1.183 10.651 1.795 1.00 0.00 C ATOM 0 H ILE A 80 -2.369 7.314 1.537 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.229 9.700 0.186 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.790 7.961 -0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.876 8.551 2.023 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.431 9.385 1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.183 10.065 -1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.282 9.612 -2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.356 10.899 -0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.728 10.881 2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.938 11.437 1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.265 10.591 1.911 1.00 0.00 H new ATOM 540 N LEU A 81 -3.069 6.799 -1.401 1.00 0.00 N ATOM 541 CA LEU A 81 -3.510 6.084 -2.594 1.00 0.00 C ATOM 542 C LEU A 81 -5.031 5.989 -2.649 1.00 0.00 C ATOM 543 O LEU A 81 -5.614 5.850 -3.725 1.00 0.00 O ATOM 544 CB LEU A 81 -2.901 4.681 -2.627 1.00 0.00 C ATOM 545 CG LEU A 81 -2.683 4.105 -4.028 1.00 0.00 C ATOM 546 CD1 LEU A 81 -4.019 3.858 -4.714 1.00 0.00 C ATOM 547 CD2 LEU A 81 -1.819 5.041 -4.861 1.00 0.00 C ATOM 0 H LEU A 81 -2.600 6.216 -0.708 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.170 6.645 -3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.943 4.704 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.550 4.006 -2.070 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.163 3.152 -3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.847 3.448 -5.709 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.604 3.150 -4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.564 4.798 -4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.674 4.615 -5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.312 6.009 -4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.851 5.170 -4.377 1.00 0.00 H new ATOM 559 N LYS A 82 -5.672 6.066 -1.487 1.00 0.00 N ATOM 560 CA LYS A 82 -7.126 5.989 -1.411 1.00 0.00 C ATOM 561 C LYS A 82 -7.750 7.376 -1.515 1.00 0.00 C ATOM 562 O LYS A 82 -8.446 7.685 -2.481 1.00 0.00 O ATOM 563 CB LYS A 82 -7.557 5.325 -0.101 1.00 0.00 C ATOM 564 CG LYS A 82 -7.221 3.844 -0.029 1.00 0.00 C ATOM 565 CD LYS A 82 -8.457 2.979 -0.225 1.00 0.00 C ATOM 566 CE LYS A 82 -8.196 1.845 -1.202 1.00 0.00 C ATOM 567 NZ LYS A 82 -8.343 2.287 -2.617 1.00 0.00 N ATOM 0 H LYS A 82 -5.208 6.182 -0.586 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.475 5.386 -2.249 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.077 5.839 0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.632 5.451 0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.481 3.601 -0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.769 3.620 0.937 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.771 2.568 0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.278 3.595 -0.592 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.190 1.455 -1.046 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -8.889 1.027 -1.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -8.157 1.485 -3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.310 2.635 -2.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -7.664 3.050 -2.815 1.00 0.00 H new ATOM 581 N MET A 83 -7.497 8.206 -0.509 1.00 0.00 N ATOM 582 CA MET A 83 -8.035 9.562 -0.481 1.00 0.00 C ATOM 583 C MET A 83 -7.599 10.356 -1.710 1.00 0.00 C ATOM 584 O MET A 83 -8.273 11.303 -2.115 1.00 0.00 O ATOM 585 CB MET A 83 -7.592 10.284 0.792 1.00 0.00 C ATOM 586 CG MET A 83 -7.954 9.545 2.070 1.00 0.00 C ATOM 587 SD MET A 83 -7.878 10.600 3.530 1.00 0.00 S ATOM 588 CE MET A 83 -9.167 11.785 3.159 1.00 0.00 C ATOM 0 H MET A 83 -6.923 7.964 0.298 1.00 0.00 H new ATOM 0 HA MET A 83 -9.123 9.490 -0.491 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.512 10.429 0.760 1.00 0.00 H new ATOM 0 HB3 MET A 83 -8.046 11.275 0.814 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.959 9.135 1.975 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.277 8.701 2.201 1.00 0.00 H new ATOM 0 HE1 MET A 83 -9.599 12.155 4.089 1.00 0.00 H new ATOM 0 HE2 MET A 83 -8.744 12.618 2.598 1.00 0.00 H new ATOM 0 HE3 MET A 83 -9.943 11.304 2.564 1.00 0.00 H new ATOM 598 N ASP A 84 -6.467 9.969 -2.298 1.00 0.00 N ATOM 599 CA ASP A 84 -5.937 10.646 -3.481 1.00 0.00 C ATOM 600 C ASP A 84 -5.246 11.952 -3.101 1.00 0.00 C ATOM 601 O ASP A 84 -4.058 12.136 -3.370 1.00 0.00 O ATOM 602 CB ASP A 84 -7.051 10.918 -4.497 1.00 0.00 C ATOM 603 CG ASP A 84 -6.636 10.574 -5.914 1.00 0.00 C ATOM 604 OD1 ASP A 84 -5.473 10.847 -6.276 1.00 0.00 O ATOM 605 OD2 ASP A 84 -7.476 10.030 -6.664 1.00 0.00 O ATOM 0 H ASP A 84 -5.898 9.187 -1.973 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.200 9.985 -3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.934 10.338 -4.229 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -7.334 11.969 -4.449 1.00 0.00 H new ATOM 610 N SER A 85 -5.993 12.855 -2.474 1.00 0.00 N ATOM 611 CA SER A 85 -5.448 14.143 -2.059 1.00 0.00 C ATOM 612 C SER A 85 -5.037 14.974 -3.272 1.00 0.00 C ATOM 613 O SER A 85 -5.446 14.689 -4.397 1.00 0.00 O ATOM 614 CB SER A 85 -4.247 13.937 -1.131 1.00 0.00 C ATOM 615 OG SER A 85 -4.511 12.926 -0.172 1.00 0.00 O ATOM 0 H SER A 85 -6.977 12.719 -2.242 1.00 0.00 H new ATOM 0 HA SER A 85 -6.225 14.684 -1.518 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.371 13.665 -1.720 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.011 14.872 -0.623 1.00 0.00 H new ATOM 0 HG SER A 85 -3.729 12.812 0.407 1.00 0.00 H new ATOM 621 N LEU A 86 -4.227 16.002 -3.036 1.00 0.00 N ATOM 622 CA LEU A 86 -3.762 16.875 -4.110 1.00 0.00 C ATOM 623 C LEU A 86 -4.901 17.740 -4.642 1.00 0.00 C ATOM 624 O LEU A 86 -4.918 18.110 -5.815 1.00 0.00 O ATOM 625 CB LEU A 86 -3.154 16.051 -5.249 1.00 0.00 C ATOM 626 CG LEU A 86 -2.202 14.939 -4.804 1.00 0.00 C ATOM 627 CD1 LEU A 86 -2.293 13.749 -5.746 1.00 0.00 C ATOM 628 CD2 LEU A 86 -0.774 15.460 -4.736 1.00 0.00 C ATOM 0 H LEU A 86 -3.879 16.251 -2.110 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.993 17.530 -3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.963 15.606 -5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.616 16.724 -5.917 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.497 14.609 -3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.609 12.968 -5.413 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.312 13.362 -5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.023 14.062 -6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.109 14.657 -4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.469 15.816 -5.720 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.720 16.281 -4.021 1.00 0.00 H new ATOM 640 N ARG A 87 -5.851 18.062 -3.768 1.00 0.00 N ATOM 641 CA ARG A 87 -6.992 18.888 -4.148 1.00 0.00 C ATOM 642 C ARG A 87 -7.233 19.983 -3.114 1.00 0.00 C ATOM 643 O ARG A 87 -7.301 21.162 -3.452 1.00 0.00 O ATOM 644 CB ARG A 87 -8.248 18.029 -4.302 1.00 0.00 C ATOM 645 CG ARG A 87 -8.346 17.332 -5.650 1.00 0.00 C ATOM 646 CD ARG A 87 -8.533 18.330 -6.783 1.00 0.00 C ATOM 647 NE ARG A 87 -9.472 17.846 -7.793 1.00 0.00 N ATOM 648 CZ ARG A 87 -9.743 18.492 -8.923 1.00 0.00 C ATOM 649 NH1 ARG A 87 -9.153 19.649 -9.193 1.00 0.00 N ATOM 650 NH2 ARG A 87 -10.609 17.980 -9.788 1.00 0.00 N ATOM 0 H ARG A 87 -5.853 17.763 -2.793 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.767 19.357 -5.106 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.264 17.278 -3.512 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.128 18.657 -4.162 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.443 16.747 -5.825 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.182 16.632 -5.639 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.893 19.275 -6.377 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.569 18.531 -7.251 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.948 16.960 -7.621 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.487 20.048 -8.532 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.365 20.139 -10.062 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.067 17.091 -9.586 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.817 18.475 -10.655 1.00 0.00 H new ATOM 664 N ASP A 88 -7.352 19.589 -1.851 1.00 0.00 N ATOM 665 CA ASP A 88 -7.575 20.544 -0.769 1.00 0.00 C ATOM 666 C ASP A 88 -6.322 21.384 -0.515 1.00 0.00 C ATOM 667 O ASP A 88 -6.371 22.392 0.192 1.00 0.00 O ATOM 668 CB ASP A 88 -7.978 19.810 0.511 1.00 0.00 C ATOM 669 CG ASP A 88 -9.481 19.670 0.649 1.00 0.00 C ATOM 670 OD1 ASP A 88 -10.146 20.681 0.959 1.00 0.00 O ATOM 671 OD2 ASP A 88 -9.993 18.549 0.447 1.00 0.00 O ATOM 0 H ASP A 88 -7.298 18.616 -1.550 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.383 21.211 -1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.522 18.820 0.518 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.585 20.348 1.374 1.00 0.00 H new ATOM 676 N ILE A 89 -5.207 20.971 -1.116 1.00 0.00 N ATOM 677 CA ILE A 89 -3.943 21.680 -0.976 1.00 0.00 C ATOM 678 C ILE A 89 -3.826 22.715 -2.074 1.00 0.00 C ATOM 679 O ILE A 89 -3.606 23.894 -1.814 1.00 0.00 O ATOM 680 CB ILE A 89 -2.739 20.722 -1.052 1.00 0.00 C ATOM 681 CG1 ILE A 89 -2.947 19.535 -0.116 1.00 0.00 C ATOM 682 CG2 ILE A 89 -1.453 21.456 -0.711 1.00 0.00 C ATOM 683 CD1 ILE A 89 -3.003 19.935 1.334 1.00 0.00 C ATOM 0 H ILE A 89 -5.157 20.142 -1.708 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.933 22.158 0.004 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.657 20.346 -2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.873 19.026 -0.383 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.137 18.820 -0.259 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.613 20.764 -0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.301 22.272 -1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.521 21.859 0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.152 19.049 1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.067 20.418 1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.830 20.628 1.489 1.00 0.00 H new ATOM 695 N GLU A 90 -4.020 22.263 -3.306 1.00 0.00 N ATOM 696 CA GLU A 90 -3.984 23.153 -4.449 1.00 0.00 C ATOM 697 C GLU A 90 -5.157 24.125 -4.360 1.00 0.00 C ATOM 698 O GLU A 90 -5.166 25.170 -5.005 1.00 0.00 O ATOM 699 CB GLU A 90 -4.058 22.351 -5.751 1.00 0.00 C ATOM 700 CG GLU A 90 -3.963 23.207 -7.003 1.00 0.00 C ATOM 701 CD GLU A 90 -5.017 22.853 -8.033 1.00 0.00 C ATOM 702 OE1 GLU A 90 -4.753 21.966 -8.872 1.00 0.00 O ATOM 703 OE2 GLU A 90 -6.109 23.461 -7.999 1.00 0.00 O ATOM 0 H GLU A 90 -4.203 21.286 -3.535 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.047 23.710 -4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.252 21.617 -5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.995 21.795 -5.772 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.066 24.257 -6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.974 23.089 -7.445 1.00 0.00 H new ATOM 710 N ALA A 91 -6.144 23.761 -3.539 1.00 0.00 N ATOM 711 CA ALA A 91 -7.331 24.580 -3.336 1.00 0.00 C ATOM 712 C ALA A 91 -7.101 25.588 -2.219 1.00 0.00 C ATOM 713 O ALA A 91 -7.282 26.791 -2.409 1.00 0.00 O ATOM 714 CB ALA A 91 -8.529 23.700 -3.018 1.00 0.00 C ATOM 0 H ALA A 91 -6.140 22.894 -3.001 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.535 25.128 -4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.410 24.325 -2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.707 23.014 -3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.331 23.129 -2.111 1.00 0.00 H new ATOM 720 N LEU A 92 -6.684 25.096 -1.055 1.00 0.00 N ATOM 721 CA LEU A 92 -6.417 25.979 0.074 1.00 0.00 C ATOM 722 C LEU A 92 -5.307 26.964 -0.280 1.00 0.00 C ATOM 723 O LEU A 92 -5.181 28.025 0.331 1.00 0.00 O ATOM 724 CB LEU A 92 -6.022 25.174 1.316 1.00 0.00 C ATOM 725 CG LEU A 92 -7.158 24.914 2.309 1.00 0.00 C ATOM 726 CD1 LEU A 92 -8.356 24.299 1.601 1.00 0.00 C ATOM 727 CD2 LEU A 92 -6.682 24.012 3.438 1.00 0.00 C ATOM 0 H LEU A 92 -6.526 24.105 -0.871 1.00 0.00 H new ATOM 0 HA LEU A 92 -7.330 26.531 0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.615 24.215 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -5.222 25.703 1.834 1.00 0.00 H new ATOM 0 HG LEU A 92 -7.466 25.868 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.153 24.121 2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.711 24.981 0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.063 23.354 1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.502 23.838 4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.347 23.060 3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -5.856 24.491 3.963 1.00 0.00 H new ATOM 739 N LEU A 93 -4.508 26.604 -1.282 1.00 0.00 N ATOM 740 CA LEU A 93 -3.412 27.447 -1.730 1.00 0.00 C ATOM 741 C LEU A 93 -3.845 28.325 -2.898 1.00 0.00 C ATOM 742 O LEU A 93 -3.456 29.490 -2.983 1.00 0.00 O ATOM 743 CB LEU A 93 -2.211 26.593 -2.134 1.00 0.00 C ATOM 744 CG LEU A 93 -1.263 26.227 -0.991 1.00 0.00 C ATOM 745 CD1 LEU A 93 -1.868 25.134 -0.123 1.00 0.00 C ATOM 746 CD2 LEU A 93 0.087 25.789 -1.539 1.00 0.00 C ATOM 0 H LEU A 93 -4.603 25.730 -1.798 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.123 28.093 -0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.576 25.673 -2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.646 27.127 -2.898 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.113 27.111 -0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.179 24.887 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.810 25.484 0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.049 24.246 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.749 25.532 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.046 24.918 -2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.526 26.602 -2.117 1.00 0.00 H new ATOM 758 N THR A 94 -4.656 27.776 -3.799 1.00 0.00 N ATOM 759 CA THR A 94 -5.121 28.555 -4.944 1.00 0.00 C ATOM 760 C THR A 94 -6.147 29.602 -4.511 1.00 0.00 C ATOM 761 O THR A 94 -6.476 30.512 -5.272 1.00 0.00 O ATOM 762 CB THR A 94 -5.714 27.656 -6.029 1.00 0.00 C ATOM 763 OG1 THR A 94 -5.919 28.387 -7.224 1.00 0.00 O ATOM 764 CG2 THR A 94 -7.033 27.042 -5.638 1.00 0.00 C ATOM 0 H THR A 94 -4.999 26.816 -3.762 1.00 0.00 H new ATOM 0 HA THR A 94 -4.254 29.066 -5.362 1.00 0.00 H new ATOM 0 HB THR A 94 -4.988 26.856 -6.173 1.00 0.00 H new ATOM 0 HG1 THR A 94 -6.151 29.314 -7.005 1.00 0.00 H new ATOM 0 HG21 THR A 94 -7.399 26.416 -6.452 1.00 0.00 H new ATOM 0 HG22 THR A 94 -6.900 26.433 -4.744 1.00 0.00 H new ATOM 0 HG23 THR A 94 -7.756 27.832 -5.435 1.00 0.00 H new ATOM 772 N GLY A 95 -6.653 29.468 -3.286 1.00 0.00 N ATOM 773 CA GLY A 95 -7.637 30.409 -2.784 1.00 0.00 C ATOM 774 C GLY A 95 -7.195 31.114 -1.513 1.00 0.00 C ATOM 775 O GLY A 95 -7.560 32.267 -1.283 1.00 0.00 O ATOM 0 H GLY A 95 -6.398 28.725 -2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.843 31.154 -3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -8.571 29.881 -2.593 1.00 0.00 H new ATOM 779 N LEU A 96 -6.419 30.426 -0.679 1.00 0.00 N ATOM 780 CA LEU A 96 -5.947 31.006 0.575 1.00 0.00 C ATOM 781 C LEU A 96 -4.435 31.160 0.603 1.00 0.00 C ATOM 782 O LEU A 96 -3.861 31.523 1.630 1.00 0.00 O ATOM 783 CB LEU A 96 -6.368 30.137 1.753 1.00 0.00 C ATOM 784 CG LEU A 96 -6.961 30.896 2.941 1.00 0.00 C ATOM 785 CD1 LEU A 96 -7.695 29.942 3.869 1.00 0.00 C ATOM 786 CD2 LEU A 96 -5.867 31.640 3.691 1.00 0.00 C ATOM 0 H LEU A 96 -6.105 29.470 -0.848 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.398 31.995 0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.101 29.410 1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.500 29.575 2.098 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.678 31.626 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -8.111 30.499 4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.502 29.452 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.000 29.190 4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.303 32.176 4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.128 30.928 4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.385 32.351 3.020 1.00 0.00 H new ATOM 798 N PHE A 97 -3.795 30.868 -0.516 1.00 0.00 N ATOM 799 CA PHE A 97 -2.343 30.958 -0.616 1.00 0.00 C ATOM 800 C PHE A 97 -1.682 30.298 0.602 1.00 0.00 C ATOM 801 O PHE A 97 -2.189 29.302 1.119 1.00 0.00 O ATOM 802 CB PHE A 97 -1.914 32.426 -0.777 1.00 0.00 C ATOM 803 CG PHE A 97 -2.454 33.350 0.281 1.00 0.00 C ATOM 804 CD1 PHE A 97 -3.674 33.982 0.103 1.00 0.00 C ATOM 805 CD2 PHE A 97 -1.742 33.589 1.447 1.00 0.00 C ATOM 806 CE1 PHE A 97 -4.176 34.833 1.070 1.00 0.00 C ATOM 807 CE2 PHE A 97 -2.242 34.440 2.416 1.00 0.00 C ATOM 808 CZ PHE A 97 -3.459 35.062 2.227 1.00 0.00 C ATOM 0 H PHE A 97 -4.258 30.565 -1.373 1.00 0.00 H new ATOM 0 HA PHE A 97 -2.009 30.417 -1.501 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.825 32.477 -0.766 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.240 32.782 -1.754 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.239 33.808 -0.801 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -0.788 33.106 1.600 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.129 35.319 0.920 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.680 34.618 3.321 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.850 35.727 2.983 1.00 0.00 H new ATOM 818 N VAL A 98 -0.560 30.842 1.056 1.00 0.00 N ATOM 819 CA VAL A 98 0.145 30.289 2.204 1.00 0.00 C ATOM 820 C VAL A 98 -0.505 30.728 3.514 1.00 0.00 C ATOM 821 O VAL A 98 -1.214 31.732 3.561 1.00 0.00 O ATOM 822 CB VAL A 98 1.630 30.707 2.209 1.00 0.00 C ATOM 823 CG1 VAL A 98 1.765 32.218 2.323 1.00 0.00 C ATOM 824 CG2 VAL A 98 2.378 30.009 3.334 1.00 0.00 C ATOM 0 H VAL A 98 -0.119 31.666 0.646 1.00 0.00 H new ATOM 0 HA VAL A 98 0.084 29.204 2.120 1.00 0.00 H new ATOM 0 HB VAL A 98 2.075 30.400 1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.821 32.490 2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.269 32.693 1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.302 32.556 3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.424 30.316 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.932 30.280 4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.316 28.929 3.197 1.00 0.00 H new ATOM 993 N ALA B 52 3.501 -36.754 -0.230 1.00 0.00 N ATOM 994 CA ALA B 52 3.748 -35.694 -1.201 1.00 0.00 C ATOM 995 C ALA B 52 2.809 -34.516 -0.969 1.00 0.00 C ATOM 996 O ALA B 52 1.587 -34.664 -1.028 1.00 0.00 O ATOM 997 CB ALA B 52 3.596 -36.226 -2.617 1.00 0.00 C ATOM 0 HA ALA B 52 4.771 -35.343 -1.070 1.00 0.00 H new ATOM 0 HB1 ALA B 52 3.783 -35.423 -3.330 1.00 0.00 H new ATOM 0 HB2 ALA B 52 4.312 -37.032 -2.782 1.00 0.00 H new ATOM 0 HB3 ALA B 52 2.584 -36.606 -2.756 1.00 0.00 H new ATOM 1003 N HIS B 53 3.385 -33.350 -0.696 1.00 0.00 N ATOM 1004 CA HIS B 53 2.595 -32.149 -0.443 1.00 0.00 C ATOM 1005 C HIS B 53 3.301 -30.906 -0.982 1.00 0.00 C ATOM 1006 O HIS B 53 3.883 -30.135 -0.218 1.00 0.00 O ATOM 1007 CB HIS B 53 2.355 -31.996 1.061 1.00 0.00 C ATOM 1008 CG HIS B 53 1.061 -32.584 1.533 1.00 0.00 C ATOM 1009 ND1 HIS B 53 0.236 -33.342 0.727 1.00 0.00 N ATOM 1010 CD2 HIS B 53 0.451 -32.526 2.741 1.00 0.00 C ATOM 1011 CE1 HIS B 53 -0.824 -33.723 1.419 1.00 0.00 C ATOM 1012 NE2 HIS B 53 -0.717 -33.242 2.643 1.00 0.00 N ATOM 0 H HIS B 53 4.394 -33.210 -0.644 1.00 0.00 H new ATOM 0 HA HIS B 53 1.640 -32.251 -0.958 1.00 0.00 H new ATOM 0 HB2 HIS B 53 3.176 -32.470 1.600 1.00 0.00 H new ATOM 0 HB3 HIS B 53 2.376 -30.936 1.316 1.00 0.00 H new ATOM 0 HD1 HIS B 53 0.416 -33.572 -0.250 1.00 0.00 H new ATOM 0 HD2 HIS B 53 0.815 -32.012 3.618 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -1.639 -34.326 1.046 1.00 0.00 H new ATOM 1021 N LEU B 54 3.249 -30.713 -2.300 1.00 0.00 N ATOM 1022 CA LEU B 54 3.894 -29.560 -2.925 1.00 0.00 C ATOM 1023 C LEU B 54 3.640 -29.537 -4.446 1.00 0.00 C ATOM 1024 O LEU B 54 2.489 -29.614 -4.882 1.00 0.00 O ATOM 1025 CB LEU B 54 5.398 -29.587 -2.610 1.00 0.00 C ATOM 1026 CG LEU B 54 6.099 -28.227 -2.643 1.00 0.00 C ATOM 1027 CD1 LEU B 54 6.386 -27.741 -1.230 1.00 0.00 C ATOM 1028 CD2 LEU B 54 7.385 -28.307 -3.452 1.00 0.00 C ATOM 0 H LEU B 54 2.770 -31.336 -2.951 1.00 0.00 H new ATOM 0 HA LEU B 54 3.464 -28.646 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU B 54 5.537 -30.025 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU B 54 5.890 -30.248 -3.324 1.00 0.00 H new ATOM 0 HG LEU B 54 5.435 -27.510 -3.126 1.00 0.00 H new ATOM 0 HD11 LEU B 54 6.885 -26.773 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU B 54 5.449 -27.643 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU B 54 7.030 -28.459 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU B 54 7.869 -27.330 -3.464 1.00 0.00 H new ATOM 0 HD22 LEU B 54 8.055 -29.038 -2.999 1.00 0.00 H new ATOM 0 HD23 LEU B 54 7.154 -28.610 -4.473 1.00 0.00 H new ATOM 1040 N THR B 55 4.717 -29.431 -5.239 1.00 0.00 N ATOM 1041 CA THR B 55 4.653 -29.406 -6.708 1.00 0.00 C ATOM 1042 C THR B 55 3.311 -28.913 -7.264 1.00 0.00 C ATOM 1043 O THR B 55 3.163 -27.739 -7.602 1.00 0.00 O ATOM 1044 CB THR B 55 4.976 -30.793 -7.266 1.00 0.00 C ATOM 1045 OG1 THR B 55 6.287 -31.185 -6.900 1.00 0.00 O ATOM 1046 CG2 THR B 55 4.876 -30.878 -8.774 1.00 0.00 C ATOM 0 H THR B 55 5.667 -29.359 -4.874 1.00 0.00 H new ATOM 0 HA THR B 55 5.399 -28.681 -7.035 1.00 0.00 H new ATOM 0 HB THR B 55 4.226 -31.457 -6.835 1.00 0.00 H new ATOM 0 HG1 THR B 55 6.476 -32.075 -7.264 1.00 0.00 H new ATOM 0 HG21 THR B 55 5.118 -31.890 -9.098 1.00 0.00 H new ATOM 0 HG22 THR B 55 3.861 -30.630 -9.086 1.00 0.00 H new ATOM 0 HG23 THR B 55 5.576 -30.175 -9.225 1.00 0.00 H new ATOM 1054 N GLU B 56 2.350 -29.824 -7.390 1.00 0.00 N ATOM 1055 CA GLU B 56 1.041 -29.484 -7.936 1.00 0.00 C ATOM 1056 C GLU B 56 0.314 -28.465 -7.065 1.00 0.00 C ATOM 1057 O GLU B 56 0.100 -27.324 -7.473 1.00 0.00 O ATOM 1058 CB GLU B 56 0.190 -30.747 -8.082 1.00 0.00 C ATOM 1059 CG GLU B 56 0.169 -31.307 -9.496 1.00 0.00 C ATOM 1060 CD GLU B 56 -0.269 -30.280 -10.522 1.00 0.00 C ATOM 1061 OE1 GLU B 56 -1.488 -30.166 -10.766 1.00 0.00 O ATOM 1062 OE2 GLU B 56 0.609 -29.588 -11.081 1.00 0.00 O ATOM 0 H GLU B 56 2.454 -30.803 -7.121 1.00 0.00 H new ATOM 0 HA GLU B 56 1.197 -29.034 -8.916 1.00 0.00 H new ATOM 0 HB2 GLU B 56 0.569 -31.511 -7.403 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -0.831 -30.525 -7.773 1.00 0.00 H new ATOM 0 HG2 GLU B 56 1.163 -31.672 -9.754 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -0.504 -32.163 -9.534 1.00 0.00 H new ATOM 1069 N VAL B 57 -0.075 -28.884 -5.869 1.00 0.00 N ATOM 1070 CA VAL B 57 -0.794 -28.004 -4.953 1.00 0.00 C ATOM 1071 C VAL B 57 -0.007 -26.725 -4.686 1.00 0.00 C ATOM 1072 O VAL B 57 -0.569 -25.619 -4.712 1.00 0.00 O ATOM 1073 CB VAL B 57 -1.110 -28.688 -3.613 1.00 0.00 C ATOM 1074 CG1 VAL B 57 -2.328 -28.044 -2.967 1.00 0.00 C ATOM 1075 CG2 VAL B 57 -1.329 -30.182 -3.796 1.00 0.00 C ATOM 0 H VAL B 57 0.093 -29.824 -5.510 1.00 0.00 H new ATOM 0 HA VAL B 57 -1.735 -27.759 -5.444 1.00 0.00 H new ATOM 0 HB VAL B 57 -0.252 -28.555 -2.954 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -2.541 -28.538 -2.019 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -2.129 -26.987 -2.789 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -3.187 -28.145 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -1.551 -30.638 -2.831 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -2.165 -30.347 -4.476 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -0.429 -30.633 -4.213 1.00 0.00 H new ATOM 1085 N GLU B 58 1.296 -26.866 -4.443 1.00 0.00 N ATOM 1086 CA GLU B 58 2.138 -25.702 -4.195 1.00 0.00 C ATOM 1087 C GLU B 58 1.962 -24.698 -5.325 1.00 0.00 C ATOM 1088 O GLU B 58 1.725 -23.515 -5.099 1.00 0.00 O ATOM 1089 CB GLU B 58 3.610 -26.116 -4.038 1.00 0.00 C ATOM 1090 CG GLU B 58 4.431 -26.060 -5.320 1.00 0.00 C ATOM 1091 CD GLU B 58 5.924 -26.108 -5.065 1.00 0.00 C ATOM 1092 OE1 GLU B 58 6.355 -25.675 -3.976 1.00 0.00 O ATOM 1093 OE2 GLU B 58 6.662 -26.578 -5.956 1.00 0.00 O ATOM 0 H GLU B 58 1.783 -27.762 -4.413 1.00 0.00 H new ATOM 0 HA GLU B 58 1.833 -25.231 -3.260 1.00 0.00 H new ATOM 0 HB2 GLU B 58 4.077 -25.469 -3.296 1.00 0.00 H new ATOM 0 HB3 GLU B 58 3.647 -27.132 -3.644 1.00 0.00 H new ATOM 0 HG2 GLU B 58 4.150 -26.894 -5.963 1.00 0.00 H new ATOM 0 HG3 GLU B 58 4.189 -25.145 -5.861 1.00 0.00 H new ATOM 1100 N SER B 59 2.042 -25.195 -6.544 1.00 0.00 N ATOM 1101 CA SER B 59 1.857 -24.355 -7.716 1.00 0.00 C ATOM 1102 C SER B 59 0.417 -23.858 -7.767 1.00 0.00 C ATOM 1103 O SER B 59 0.110 -22.873 -8.435 1.00 0.00 O ATOM 1104 CB SER B 59 2.198 -25.126 -8.991 1.00 0.00 C ATOM 1105 OG SER B 59 1.838 -24.386 -10.146 1.00 0.00 O ATOM 0 H SER B 59 2.234 -26.175 -6.751 1.00 0.00 H new ATOM 0 HA SER B 59 2.529 -23.500 -7.647 1.00 0.00 H new ATOM 0 HB2 SER B 59 3.266 -25.344 -9.013 1.00 0.00 H new ATOM 0 HB3 SER B 59 1.677 -26.083 -8.991 1.00 0.00 H new ATOM 0 HG SER B 59 2.068 -24.900 -10.948 1.00 0.00 H new ATOM 1111 N ARG B 60 -0.464 -24.561 -7.060 1.00 0.00 N ATOM 1112 CA ARG B 60 -1.875 -24.218 -7.014 1.00 0.00 C ATOM 1113 C ARG B 60 -2.120 -22.938 -6.243 1.00 0.00 C ATOM 1114 O ARG B 60 -2.451 -21.910 -6.835 1.00 0.00 O ATOM 1115 CB ARG B 60 -2.677 -25.356 -6.381 1.00 0.00 C ATOM 1116 CG ARG B 60 -4.137 -25.384 -6.803 1.00 0.00 C ATOM 1117 CD ARG B 60 -4.337 -26.211 -8.062 1.00 0.00 C ATOM 1118 NE ARG B 60 -3.929 -25.489 -9.263 1.00 0.00 N ATOM 1119 CZ ARG B 60 -3.654 -26.076 -10.426 1.00 0.00 C ATOM 1120 NH1 ARG B 60 -3.747 -27.394 -10.549 1.00 0.00 N ATOM 1121 NH2 ARG B 60 -3.289 -25.343 -11.470 1.00 0.00 N ATOM 0 H ARG B 60 -0.217 -25.381 -6.506 1.00 0.00 H new ATOM 0 HA ARG B 60 -2.204 -24.063 -8.042 1.00 0.00 H new ATOM 0 HB2 ARG B 60 -2.213 -26.306 -6.646 1.00 0.00 H new ATOM 0 HB3 ARG B 60 -2.623 -25.267 -5.296 1.00 0.00 H new ATOM 0 HG2 ARG B 60 -4.742 -25.796 -5.996 1.00 0.00 H new ATOM 0 HG3 ARG B 60 -4.487 -24.366 -6.976 1.00 0.00 H new ATOM 0 HD2 ARG B 60 -3.765 -27.135 -7.983 1.00 0.00 H new ATOM 0 HD3 ARG B 60 -5.387 -26.492 -8.148 1.00 0.00 H new ATOM 0 HE ARG B 60 -3.850 -24.474 -9.208 1.00 0.00 H new ATOM 0 HH11 ARG B 60 -4.030 -27.962 -9.751 1.00 0.00 H new ATOM 0 HH12 ARG B 60 -3.535 -27.839 -11.442 1.00 0.00 H new ATOM 0 HH21 ARG B 60 -3.219 -24.329 -11.382 1.00 0.00 H new ATOM 0 HH22 ARG B 60 -3.078 -25.793 -12.361 1.00 0.00 H new ATOM 1135 N LEU B 61 -1.967 -22.984 -4.920 1.00 0.00 N ATOM 1136 CA LEU B 61 -2.197 -21.782 -4.131 1.00 0.00 C ATOM 1137 C LEU B 61 -1.218 -20.707 -4.564 1.00 0.00 C ATOM 1138 O LEU B 61 -1.564 -19.528 -4.701 1.00 0.00 O ATOM 1139 CB LEU B 61 -2.092 -22.081 -2.644 1.00 0.00 C ATOM 1140 CG LEU B 61 -3.440 -22.320 -1.971 1.00 0.00 C ATOM 1141 CD1 LEU B 61 -4.303 -21.072 -2.052 1.00 0.00 C ATOM 1142 CD2 LEU B 61 -4.152 -23.500 -2.616 1.00 0.00 C ATOM 0 H LEU B 61 -1.694 -23.811 -4.390 1.00 0.00 H new ATOM 0 HA LEU B 61 -3.209 -21.418 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -1.464 -22.961 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -1.591 -21.249 -2.149 1.00 0.00 H new ATOM 0 HG LEU B 61 -3.266 -22.552 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -5.261 -21.260 -1.567 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -3.798 -20.247 -1.550 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -4.470 -20.812 -3.097 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -5.112 -23.658 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -4.315 -23.293 -3.674 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -3.540 -24.396 -2.512 1.00 0.00 H new ATOM 1154 N GLU B 62 -0.003 -21.137 -4.841 1.00 0.00 N ATOM 1155 CA GLU B 62 1.016 -20.225 -5.330 1.00 0.00 C ATOM 1156 C GLU B 62 0.471 -19.489 -6.552 1.00 0.00 C ATOM 1157 O GLU B 62 0.677 -18.281 -6.707 1.00 0.00 O ATOM 1158 CB GLU B 62 2.287 -20.989 -5.686 1.00 0.00 C ATOM 1159 CG GLU B 62 3.386 -20.115 -6.270 1.00 0.00 C ATOM 1160 CD GLU B 62 4.773 -20.623 -5.931 1.00 0.00 C ATOM 1161 OE1 GLU B 62 5.301 -20.241 -4.866 1.00 0.00 O ATOM 1162 OE2 GLU B 62 5.333 -21.401 -6.731 1.00 0.00 O ATOM 0 H GLU B 62 0.303 -22.105 -4.737 1.00 0.00 H new ATOM 0 HA GLU B 62 1.267 -19.503 -4.553 1.00 0.00 H new ATOM 0 HB2 GLU B 62 2.666 -21.483 -4.791 1.00 0.00 H new ATOM 0 HB3 GLU B 62 2.040 -21.773 -6.402 1.00 0.00 H new ATOM 0 HG2 GLU B 62 3.273 -20.071 -7.353 1.00 0.00 H new ATOM 0 HG3 GLU B 62 3.274 -19.097 -5.896 1.00 0.00 H new ATOM 1169 N ARG B 63 -0.269 -20.212 -7.403 1.00 0.00 N ATOM 1170 CA ARG B 63 -0.873 -19.594 -8.574 1.00 0.00 C ATOM 1171 C ARG B 63 -1.996 -18.670 -8.127 1.00 0.00 C ATOM 1172 O ARG B 63 -2.289 -17.666 -8.777 1.00 0.00 O ATOM 1173 CB ARG B 63 -1.409 -20.648 -9.546 1.00 0.00 C ATOM 1174 CG ARG B 63 -1.818 -20.074 -10.894 1.00 0.00 C ATOM 1175 CD ARG B 63 -3.269 -20.390 -11.224 1.00 0.00 C ATOM 1176 NE ARG B 63 -3.395 -21.576 -12.065 1.00 0.00 N ATOM 1177 CZ ARG B 63 -2.923 -21.658 -13.308 1.00 0.00 C ATOM 1178 NH1 ARG B 63 -2.294 -20.627 -13.858 1.00 0.00 N ATOM 1179 NH2 ARG B 63 -3.082 -22.776 -14.003 1.00 0.00 N ATOM 0 H ARG B 63 -0.458 -21.209 -7.299 1.00 0.00 H new ATOM 0 HA ARG B 63 -0.110 -19.020 -9.099 1.00 0.00 H new ATOM 0 HB2 ARG B 63 -0.646 -21.411 -9.701 1.00 0.00 H new ATOM 0 HB3 ARG B 63 -2.268 -21.144 -9.095 1.00 0.00 H new ATOM 0 HG2 ARG B 63 -1.673 -18.994 -10.888 1.00 0.00 H new ATOM 0 HG3 ARG B 63 -1.171 -20.478 -11.673 1.00 0.00 H new ATOM 0 HD2 ARG B 63 -3.826 -20.541 -10.299 1.00 0.00 H new ATOM 0 HD3 ARG B 63 -3.719 -19.537 -11.732 1.00 0.00 H new ATOM 0 HE ARG B 63 -3.873 -22.390 -11.678 1.00 0.00 H new ATOM 0 HH11 ARG B 63 -2.169 -19.764 -13.328 1.00 0.00 H new ATOM 0 HH12 ARG B 63 -1.935 -20.697 -14.810 1.00 0.00 H new ATOM 0 HH21 ARG B 63 -3.565 -23.572 -13.586 1.00 0.00 H new ATOM 0 HH22 ARG B 63 -2.721 -22.840 -14.955 1.00 0.00 H new ATOM 1193 N LEU B 64 -2.606 -19.004 -6.987 1.00 0.00 N ATOM 1194 CA LEU B 64 -3.676 -18.187 -6.430 1.00 0.00 C ATOM 1195 C LEU B 64 -3.119 -16.827 -6.045 1.00 0.00 C ATOM 1196 O LEU B 64 -3.825 -15.819 -6.064 1.00 0.00 O ATOM 1197 CB LEU B 64 -4.323 -18.887 -5.225 1.00 0.00 C ATOM 1198 CG LEU B 64 -5.201 -18.003 -4.330 1.00 0.00 C ATOM 1199 CD1 LEU B 64 -6.674 -18.259 -4.605 1.00 0.00 C ATOM 1200 CD2 LEU B 64 -4.881 -18.249 -2.863 1.00 0.00 C ATOM 0 H LEU B 64 -2.375 -19.832 -6.437 1.00 0.00 H new ATOM 0 HA LEU B 64 -4.454 -18.048 -7.180 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -4.930 -19.715 -5.593 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -3.532 -19.319 -4.612 1.00 0.00 H new ATOM 0 HG LEU B 64 -4.986 -16.959 -4.560 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -7.280 -17.623 -3.960 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -6.894 -18.033 -5.648 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -6.905 -19.305 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -5.512 -17.614 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -5.068 -19.295 -2.620 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -3.833 -18.014 -2.675 1.00 0.00 H new ATOM 1212 N GLU B 65 -1.833 -16.810 -5.734 1.00 0.00 N ATOM 1213 CA GLU B 65 -1.145 -15.578 -5.388 1.00 0.00 C ATOM 1214 C GLU B 65 -0.606 -14.924 -6.656 1.00 0.00 C ATOM 1215 O GLU B 65 -0.430 -13.707 -6.718 1.00 0.00 O ATOM 1216 CB GLU B 65 -0.007 -15.852 -4.407 1.00 0.00 C ATOM 1217 CG GLU B 65 0.447 -14.616 -3.648 1.00 0.00 C ATOM 1218 CD GLU B 65 1.168 -14.951 -2.357 1.00 0.00 C ATOM 1219 OE1 GLU B 65 1.077 -16.115 -1.909 1.00 0.00 O ATOM 1220 OE2 GLU B 65 1.826 -14.051 -1.795 1.00 0.00 O ATOM 0 H GLU B 65 -1.242 -17.641 -5.714 1.00 0.00 H new ATOM 0 HA GLU B 65 -1.851 -14.902 -4.905 1.00 0.00 H new ATOM 0 HB2 GLU B 65 -0.328 -16.610 -3.693 1.00 0.00 H new ATOM 0 HB3 GLU B 65 0.841 -16.266 -4.952 1.00 0.00 H new ATOM 0 HG2 GLU B 65 1.107 -14.026 -4.285 1.00 0.00 H new ATOM 0 HG3 GLU B 65 -0.420 -13.994 -3.424 1.00 0.00 H new ATOM 1227 N GLN B 66 -0.365 -15.750 -7.676 1.00 0.00 N ATOM 1228 CA GLN B 66 0.129 -15.277 -8.963 1.00 0.00 C ATOM 1229 C GLN B 66 1.569 -14.785 -8.871 1.00 0.00 C ATOM 1230 O GLN B 66 2.497 -15.471 -9.295 1.00 0.00 O ATOM 1231 CB GLN B 66 -0.778 -14.169 -9.495 1.00 0.00 C ATOM 1232 CG GLN B 66 -1.354 -14.462 -10.870 1.00 0.00 C ATOM 1233 CD GLN B 66 -2.866 -14.356 -10.904 1.00 0.00 C ATOM 1234 OE1 GLN B 66 -3.572 -15.202 -10.355 1.00 0.00 O ATOM 1235 NE2 GLN B 66 -3.372 -13.314 -11.555 1.00 0.00 N ATOM 0 H GLN B 66 -0.507 -16.759 -7.630 1.00 0.00 H new ATOM 0 HA GLN B 66 0.115 -16.119 -9.655 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -1.597 -14.013 -8.793 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -0.213 -13.238 -9.538 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -0.928 -13.767 -11.594 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -1.057 -15.464 -11.178 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -2.750 -12.637 -11.996 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -4.383 -13.191 -11.614 1.00 0.00 H new ATOM 1244 N LEU B 67 1.749 -13.588 -8.325 1.00 0.00 N ATOM 1245 CA LEU B 67 3.080 -13.009 -8.196 1.00 0.00 C ATOM 1246 C LEU B 67 3.501 -12.906 -6.735 1.00 0.00 C ATOM 1247 O LEU B 67 4.072 -11.898 -6.318 1.00 0.00 O ATOM 1248 CB LEU B 67 3.120 -11.626 -8.856 1.00 0.00 C ATOM 1249 CG LEU B 67 3.492 -11.626 -10.340 1.00 0.00 C ATOM 1250 CD1 LEU B 67 2.314 -12.083 -11.187 1.00 0.00 C ATOM 1251 CD2 LEU B 67 3.955 -10.242 -10.771 1.00 0.00 C ATOM 0 H LEU B 67 0.995 -13.003 -7.966 1.00 0.00 H new ATOM 0 HA LEU B 67 3.784 -13.669 -8.703 1.00 0.00 H new ATOM 0 HB2 LEU B 67 2.142 -11.158 -8.742 1.00 0.00 H new ATOM 0 HB3 LEU B 67 3.836 -11.004 -8.318 1.00 0.00 H new ATOM 0 HG LEU B 67 4.313 -12.327 -10.490 1.00 0.00 H new ATOM 0 HD11 LEU B 67 2.598 -12.076 -12.239 1.00 0.00 H new ATOM 0 HD12 LEU B 67 2.026 -13.093 -10.895 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.472 -11.408 -11.034 1.00 0.00 H new ATOM 0 HD21 LEU B 67 4.216 -10.259 -11.829 1.00 0.00 H new ATOM 0 HD22 LEU B 67 3.153 -9.522 -10.606 1.00 0.00 H new ATOM 0 HD23 LEU B 67 4.828 -9.952 -10.187 1.00 0.00 H new ATOM 1263 N PHE B 68 3.217 -13.953 -5.956 1.00 0.00 N ATOM 1264 CA PHE B 68 3.575 -13.977 -4.537 1.00 0.00 C ATOM 1265 C PHE B 68 4.951 -13.355 -4.293 1.00 0.00 C ATOM 1266 O PHE B 68 5.980 -13.965 -4.583 1.00 0.00 O ATOM 1267 CB PHE B 68 3.557 -15.413 -4.014 1.00 0.00 C ATOM 1268 CG PHE B 68 4.574 -16.305 -4.666 1.00 0.00 C ATOM 1269 CD1 PHE B 68 4.348 -16.826 -5.930 1.00 0.00 C ATOM 1270 CD2 PHE B 68 5.755 -16.625 -4.015 1.00 0.00 C ATOM 1271 CE1 PHE B 68 5.281 -17.647 -6.533 1.00 0.00 C ATOM 1272 CE2 PHE B 68 6.690 -17.447 -4.612 1.00 0.00 C ATOM 1273 CZ PHE B 68 6.454 -17.958 -5.873 1.00 0.00 C ATOM 0 H PHE B 68 2.741 -14.793 -6.284 1.00 0.00 H new ATOM 0 HA PHE B 68 2.836 -13.383 -3.999 1.00 0.00 H new ATOM 0 HB2 PHE B 68 3.733 -15.401 -2.938 1.00 0.00 H new ATOM 0 HB3 PHE B 68 2.564 -15.835 -4.169 1.00 0.00 H new ATOM 0 HD1 PHE B 68 3.432 -16.587 -6.450 1.00 0.00 H new ATOM 0 HD2 PHE B 68 5.946 -16.227 -3.029 1.00 0.00 H new ATOM 0 HE1 PHE B 68 5.094 -18.045 -7.519 1.00 0.00 H new ATOM 0 HE2 PHE B 68 7.605 -17.690 -4.093 1.00 0.00 H new ATOM 0 HZ PHE B 68 7.185 -18.600 -6.342 1.00 0.00 H new ATOM 1283 N LEU B 69 4.956 -12.138 -3.761 1.00 0.00 N ATOM 1284 CA LEU B 69 6.200 -11.430 -3.479 1.00 0.00 C ATOM 1285 C LEU B 69 6.064 -10.569 -2.228 1.00 0.00 C ATOM 1286 O LEU B 69 6.711 -10.829 -1.212 1.00 0.00 O ATOM 1287 CB LEU B 69 6.592 -10.558 -4.672 1.00 0.00 C ATOM 1288 CG LEU B 69 7.988 -9.939 -4.591 1.00 0.00 C ATOM 1289 CD1 LEU B 69 8.626 -9.878 -5.970 1.00 0.00 C ATOM 1290 CD2 LEU B 69 7.920 -8.551 -3.971 1.00 0.00 C ATOM 0 H LEU B 69 4.112 -11.620 -3.516 1.00 0.00 H new ATOM 0 HA LEU B 69 6.981 -12.170 -3.305 1.00 0.00 H new ATOM 0 HB2 LEU B 69 6.530 -11.160 -5.578 1.00 0.00 H new ATOM 0 HB3 LEU B 69 5.861 -9.756 -4.772 1.00 0.00 H new ATOM 0 HG LEU B 69 8.608 -10.570 -3.954 1.00 0.00 H new ATOM 0 HD11 LEU B 69 9.619 -9.435 -5.892 1.00 0.00 H new ATOM 0 HD12 LEU B 69 8.709 -10.886 -6.377 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.008 -9.270 -6.630 1.00 0.00 H new ATOM 0 HD21 LEU B 69 8.922 -8.125 -3.921 1.00 0.00 H new ATOM 0 HD22 LEU B 69 7.284 -7.910 -4.582 1.00 0.00 H new ATOM 0 HD23 LEU B 69 7.505 -8.622 -2.965 1.00 0.00 H new ATOM 1302 N LEU B 70 5.221 -9.546 -2.309 1.00 0.00 N ATOM 1303 CA LEU B 70 5.002 -8.646 -1.180 1.00 0.00 C ATOM 1304 C LEU B 70 3.589 -8.070 -1.209 1.00 0.00 C ATOM 1305 O LEU B 70 2.706 -8.529 -0.484 1.00 0.00 O ATOM 1306 CB LEU B 70 6.032 -7.515 -1.194 1.00 0.00 C ATOM 1307 CG LEU B 70 7.460 -7.936 -0.843 1.00 0.00 C ATOM 1308 CD1 LEU B 70 8.444 -6.834 -1.204 1.00 0.00 C ATOM 1309 CD2 LEU B 70 7.563 -8.284 0.635 1.00 0.00 C ATOM 0 H LEU B 70 4.678 -9.318 -3.142 1.00 0.00 H new ATOM 0 HA LEU B 70 5.120 -9.220 -0.261 1.00 0.00 H new ATOM 0 HB2 LEU B 70 6.037 -7.060 -2.185 1.00 0.00 H new ATOM 0 HB3 LEU B 70 5.713 -6.745 -0.491 1.00 0.00 H new ATOM 0 HG LEU B 70 7.712 -8.824 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU B 70 9.455 -7.151 -0.947 1.00 0.00 H new ATOM 0 HD12 LEU B 70 8.387 -6.632 -2.274 1.00 0.00 H new ATOM 0 HD13 LEU B 70 8.196 -5.929 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU B 70 8.585 -8.582 0.868 1.00 0.00 H new ATOM 0 HD22 LEU B 70 7.293 -7.414 1.233 1.00 0.00 H new ATOM 0 HD23 LEU B 70 6.885 -9.106 0.863 1.00 0.00 H new ATOM 1321 N ILE B 71 3.381 -7.058 -2.048 1.00 0.00 N ATOM 1322 CA ILE B 71 2.076 -6.418 -2.164 1.00 0.00 C ATOM 1323 C ILE B 71 1.449 -6.679 -3.533 1.00 0.00 C ATOM 1324 O ILE B 71 0.612 -5.905 -4.000 1.00 0.00 O ATOM 1325 CB ILE B 71 2.177 -4.897 -1.930 1.00 0.00 C ATOM 1326 CG1 ILE B 71 0.781 -4.274 -1.835 1.00 0.00 C ATOM 1327 CG2 ILE B 71 2.989 -4.237 -3.036 1.00 0.00 C ATOM 1328 CD1 ILE B 71 0.558 -3.483 -0.565 1.00 0.00 C ATOM 0 H ILE B 71 4.099 -6.665 -2.656 1.00 0.00 H new ATOM 0 HA ILE B 71 1.439 -6.854 -1.395 1.00 0.00 H new ATOM 0 HB ILE B 71 2.691 -4.728 -0.984 1.00 0.00 H new ATOM 0 HG12 ILE B 71 0.625 -3.620 -2.693 1.00 0.00 H new ATOM 0 HG13 ILE B 71 0.034 -5.065 -1.897 1.00 0.00 H new ATOM 0 HG21 ILE B 71 3.049 -3.164 -2.853 1.00 0.00 H new ATOM 0 HG22 ILE B 71 3.994 -4.659 -3.051 1.00 0.00 H new ATOM 0 HG23 ILE B 71 2.507 -4.415 -3.997 1.00 0.00 H new ATOM 0 HD11 ILE B 71 -0.451 -3.071 -0.566 1.00 0.00 H new ATOM 0 HD12 ILE B 71 0.682 -4.137 0.298 1.00 0.00 H new ATOM 0 HD13 ILE B 71 1.282 -2.670 -0.511 1.00 0.00 H new ATOM 1340 N PHE B 72 1.857 -7.772 -4.172 1.00 0.00 N ATOM 1341 CA PHE B 72 1.331 -8.129 -5.486 1.00 0.00 C ATOM 1342 C PHE B 72 1.533 -6.990 -6.485 1.00 0.00 C ATOM 1343 O PHE B 72 0.682 -6.111 -6.615 1.00 0.00 O ATOM 1344 CB PHE B 72 -0.155 -8.474 -5.384 1.00 0.00 C ATOM 1345 CG PHE B 72 -0.685 -9.210 -6.582 1.00 0.00 C ATOM 1346 CD1 PHE B 72 -0.759 -8.585 -7.818 1.00 0.00 C ATOM 1347 CD2 PHE B 72 -1.110 -10.524 -6.472 1.00 0.00 C ATOM 1348 CE1 PHE B 72 -1.247 -9.260 -8.922 1.00 0.00 C ATOM 1349 CE2 PHE B 72 -1.599 -11.202 -7.573 1.00 0.00 C ATOM 1350 CZ PHE B 72 -1.667 -10.569 -8.799 1.00 0.00 C ATOM 0 H PHE B 72 2.549 -8.424 -3.802 1.00 0.00 H new ATOM 0 HA PHE B 72 1.878 -9.001 -5.844 1.00 0.00 H new ATOM 0 HB2 PHE B 72 -0.318 -9.081 -4.494 1.00 0.00 H new ATOM 0 HB3 PHE B 72 -0.725 -7.554 -5.252 1.00 0.00 H new ATOM 0 HD1 PHE B 72 -0.432 -7.561 -7.919 1.00 0.00 H new ATOM 0 HD2 PHE B 72 -1.059 -11.024 -5.516 1.00 0.00 H new ATOM 0 HE1 PHE B 72 -1.299 -8.763 -9.880 1.00 0.00 H new ATOM 0 HE2 PHE B 72 -1.928 -12.226 -7.475 1.00 0.00 H new ATOM 0 HZ PHE B 72 -2.048 -11.098 -9.660 1.00 0.00 H new ATOM 1360 N PRO B 73 2.669 -6.992 -7.207 1.00 0.00 N ATOM 1361 CA PRO B 73 2.973 -5.952 -8.194 1.00 0.00 C ATOM 1362 C PRO B 73 2.065 -6.032 -9.416 1.00 0.00 C ATOM 1363 O PRO B 73 2.185 -6.944 -10.234 1.00 0.00 O ATOM 1364 CB PRO B 73 4.422 -6.247 -8.590 1.00 0.00 C ATOM 1365 CG PRO B 73 4.606 -7.698 -8.306 1.00 0.00 C ATOM 1366 CD PRO B 73 3.739 -8.001 -7.116 1.00 0.00 C ATOM 0 HA PRO B 73 2.823 -4.951 -7.789 1.00 0.00 H new ATOM 0 HB2 PRO B 73 4.598 -6.025 -9.643 1.00 0.00 H new ATOM 0 HB3 PRO B 73 5.121 -5.640 -8.015 1.00 0.00 H new ATOM 0 HG2 PRO B 73 4.315 -8.303 -9.165 1.00 0.00 H new ATOM 0 HG3 PRO B 73 5.651 -7.925 -8.095 1.00 0.00 H new ATOM 0 HD2 PRO B 73 3.340 -9.015 -7.157 1.00 0.00 H new ATOM 0 HD3 PRO B 73 4.294 -7.915 -6.182 1.00 0.00 H new ATOM 1374 N ARG B 74 1.155 -5.070 -9.535 1.00 0.00 N ATOM 1375 CA ARG B 74 0.227 -5.032 -10.659 1.00 0.00 C ATOM 1376 C ARG B 74 -0.068 -3.596 -11.074 1.00 0.00 C ATOM 1377 O ARG B 74 -0.095 -2.691 -10.240 1.00 0.00 O ATOM 1378 CB ARG B 74 -1.077 -5.748 -10.298 1.00 0.00 C ATOM 1379 CG ARG B 74 -1.676 -6.537 -11.450 1.00 0.00 C ATOM 1380 CD ARG B 74 -2.463 -5.640 -12.393 1.00 0.00 C ATOM 1381 NE ARG B 74 -1.907 -5.646 -13.746 1.00 0.00 N ATOM 1382 CZ ARG B 74 -2.551 -5.179 -14.813 1.00 0.00 C ATOM 1383 NH1 ARG B 74 -3.772 -4.672 -14.692 1.00 0.00 N ATOM 1384 NH2 ARG B 74 -1.973 -5.220 -16.005 1.00 0.00 N ATOM 0 H ARG B 74 1.041 -4.307 -8.867 1.00 0.00 H new ATOM 0 HA ARG B 74 0.695 -5.545 -11.499 1.00 0.00 H new ATOM 0 HB2 ARG B 74 -0.892 -6.424 -9.463 1.00 0.00 H new ATOM 0 HB3 ARG B 74 -1.804 -5.011 -9.956 1.00 0.00 H new ATOM 0 HG2 ARG B 74 -0.880 -7.037 -12.002 1.00 0.00 H new ATOM 0 HG3 ARG B 74 -2.330 -7.316 -11.057 1.00 0.00 H new ATOM 0 HD2 ARG B 74 -3.501 -5.971 -12.426 1.00 0.00 H new ATOM 0 HD3 ARG B 74 -2.465 -4.621 -12.006 1.00 0.00 H new ATOM 0 HE ARG B 74 -0.972 -6.030 -13.879 1.00 0.00 H new ATOM 0 HH11 ARG B 74 -4.222 -4.639 -13.777 1.00 0.00 H new ATOM 0 HH12 ARG B 74 -4.260 -4.316 -15.514 1.00 0.00 H new ATOM 0 HH21 ARG B 74 -1.035 -5.609 -16.104 1.00 0.00 H new ATOM 0 HH22 ARG B 74 -2.466 -4.862 -16.823 1.00 0.00 H new ATOM 1398 N GLU B 75 -0.287 -3.393 -12.369 1.00 0.00 N ATOM 1399 CA GLU B 75 -0.578 -2.066 -12.897 1.00 0.00 C ATOM 1400 C GLU B 75 -1.814 -1.472 -12.228 1.00 0.00 C ATOM 1401 O GLU B 75 -2.934 -1.635 -12.711 1.00 0.00 O ATOM 1402 CB GLU B 75 -0.787 -2.131 -14.411 1.00 0.00 C ATOM 1403 CG GLU B 75 -0.618 -0.791 -15.108 1.00 0.00 C ATOM 1404 CD GLU B 75 -0.723 -0.900 -16.616 1.00 0.00 C ATOM 1405 OE1 GLU B 75 -0.139 -1.847 -17.183 1.00 0.00 O ATOM 1406 OE2 GLU B 75 -1.390 -0.041 -17.229 1.00 0.00 O ATOM 0 H GLU B 75 -0.268 -4.132 -13.072 1.00 0.00 H new ATOM 0 HA GLU B 75 0.275 -1.422 -12.681 1.00 0.00 H new ATOM 0 HB2 GLU B 75 -0.080 -2.844 -14.836 1.00 0.00 H new ATOM 0 HB3 GLU B 75 -1.787 -2.513 -14.615 1.00 0.00 H new ATOM 0 HG2 GLU B 75 -1.377 -0.098 -14.744 1.00 0.00 H new ATOM 0 HG3 GLU B 75 0.352 -0.369 -14.845 1.00 0.00 H new ATOM 1413 N ASP B 76 -1.600 -0.781 -11.113 1.00 0.00 N ATOM 1414 CA ASP B 76 -2.694 -0.159 -10.375 1.00 0.00 C ATOM 1415 C ASP B 76 -2.373 1.297 -10.047 1.00 0.00 C ATOM 1416 O ASP B 76 -2.926 1.866 -9.106 1.00 0.00 O ATOM 1417 CB ASP B 76 -2.974 -0.936 -9.088 1.00 0.00 C ATOM 1418 CG ASP B 76 -1.721 -1.154 -8.262 1.00 0.00 C ATOM 1419 OD1 ASP B 76 -0.862 -0.249 -8.235 1.00 0.00 O ATOM 1420 OD2 ASP B 76 -1.600 -2.233 -7.644 1.00 0.00 O ATOM 0 H ASP B 76 -0.678 -0.637 -10.700 1.00 0.00 H new ATOM 0 HA ASP B 76 -3.583 -0.181 -11.005 1.00 0.00 H new ATOM 0 HB2 ASP B 76 -3.709 -0.395 -8.492 1.00 0.00 H new ATOM 0 HB3 ASP B 76 -3.414 -1.901 -9.338 1.00 0.00 H new ATOM 1425 N LEU B 77 -1.480 1.895 -10.831 1.00 0.00 N ATOM 1426 CA LEU B 77 -1.088 3.285 -10.626 1.00 0.00 C ATOM 1427 C LEU B 77 -0.550 3.505 -9.215 1.00 0.00 C ATOM 1428 O LEU B 77 -1.304 3.831 -8.297 1.00 0.00 O ATOM 1429 CB LEU B 77 -2.277 4.214 -10.881 1.00 0.00 C ATOM 1430 CG LEU B 77 -1.905 5.642 -11.301 1.00 0.00 C ATOM 1431 CD1 LEU B 77 -2.308 5.898 -12.746 1.00 0.00 C ATOM 1432 CD2 LEU B 77 -2.558 6.658 -10.377 1.00 0.00 C ATOM 0 H LEU B 77 -1.014 1.438 -11.615 1.00 0.00 H new ATOM 0 HA LEU B 77 -0.293 3.516 -11.334 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -2.903 3.774 -11.658 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -2.881 4.263 -9.975 1.00 0.00 H new ATOM 0 HG LEU B 77 -0.823 5.751 -11.222 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -2.036 6.916 -13.025 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -1.792 5.193 -13.398 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -3.385 5.769 -12.852 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -2.283 7.665 -10.691 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -3.641 6.547 -10.422 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -2.219 6.491 -9.355 1.00 0.00 H new ATOM 1444 N ASP B 78 0.758 3.330 -9.050 1.00 0.00 N ATOM 1445 CA ASP B 78 1.395 3.514 -7.752 1.00 0.00 C ATOM 1446 C ASP B 78 2.348 4.707 -7.779 1.00 0.00 C ATOM 1447 O ASP B 78 3.239 4.821 -6.935 1.00 0.00 O ATOM 1448 CB ASP B 78 2.155 2.248 -7.346 1.00 0.00 C ATOM 1449 CG ASP B 78 1.385 1.411 -6.342 1.00 0.00 C ATOM 1450 OD1 ASP B 78 1.074 1.930 -5.250 1.00 0.00 O ATOM 1451 OD2 ASP B 78 1.092 0.236 -6.651 1.00 0.00 O ATOM 0 H ASP B 78 1.396 3.061 -9.799 1.00 0.00 H new ATOM 0 HA ASP B 78 0.614 3.710 -7.017 1.00 0.00 H new ATOM 0 HB2 ASP B 78 2.360 1.649 -8.234 1.00 0.00 H new ATOM 0 HB3 ASP B 78 3.119 2.526 -6.920 1.00 0.00 H new ATOM 1456 N MET B 79 2.153 5.597 -8.749 1.00 0.00 N ATOM 1457 CA MET B 79 2.994 6.781 -8.878 1.00 0.00 C ATOM 1458 C MET B 79 2.737 7.751 -7.730 1.00 0.00 C ATOM 1459 O MET B 79 3.623 8.504 -7.328 1.00 0.00 O ATOM 1460 CB MET B 79 2.734 7.474 -10.218 1.00 0.00 C ATOM 1461 CG MET B 79 3.639 6.986 -11.339 1.00 0.00 C ATOM 1462 SD MET B 79 3.802 8.191 -12.672 1.00 0.00 S ATOM 1463 CE MET B 79 5.566 8.120 -12.978 1.00 0.00 C ATOM 0 H MET B 79 1.421 5.520 -9.455 1.00 0.00 H new ATOM 0 HA MET B 79 4.037 6.466 -8.839 1.00 0.00 H new ATOM 0 HB2 MET B 79 1.695 7.314 -10.505 1.00 0.00 H new ATOM 0 HB3 MET B 79 2.869 8.549 -10.095 1.00 0.00 H new ATOM 0 HG2 MET B 79 4.626 6.763 -10.933 1.00 0.00 H new ATOM 0 HG3 MET B 79 3.242 6.055 -11.742 1.00 0.00 H new ATOM 0 HE1 MET B 79 5.824 8.812 -13.779 1.00 0.00 H new ATOM 0 HE2 MET B 79 6.104 8.397 -12.071 1.00 0.00 H new ATOM 0 HE3 MET B 79 5.844 7.107 -13.270 1.00 0.00 H new ATOM 1473 N ILE B 80 1.518 7.724 -7.202 1.00 0.00 N ATOM 1474 CA ILE B 80 1.146 8.596 -6.097 1.00 0.00 C ATOM 1475 C ILE B 80 1.668 8.047 -4.772 1.00 0.00 C ATOM 1476 O ILE B 80 2.232 8.783 -3.964 1.00 0.00 O ATOM 1477 CB ILE B 80 -0.383 8.767 -6.003 1.00 0.00 C ATOM 1478 CG1 ILE B 80 -0.967 9.102 -7.376 1.00 0.00 C ATOM 1479 CG2 ILE B 80 -0.734 9.848 -4.993 1.00 0.00 C ATOM 1480 CD1 ILE B 80 -0.457 10.405 -7.949 1.00 0.00 C ATOM 0 H ILE B 80 0.772 7.107 -7.522 1.00 0.00 H new ATOM 0 HA ILE B 80 1.598 9.568 -6.292 1.00 0.00 H new ATOM 0 HB ILE B 80 -0.818 7.827 -5.665 1.00 0.00 H new ATOM 0 HG12 ILE B 80 -0.732 8.294 -8.068 1.00 0.00 H new ATOM 0 HG13 ILE B 80 -2.053 9.149 -7.298 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -1.817 9.957 -4.938 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -0.347 9.570 -4.013 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -0.290 10.794 -5.303 1.00 0.00 H new ATOM 0 HD11 ILE B 80 -0.914 10.577 -8.924 1.00 0.00 H new ATOM 0 HD12 ILE B 80 -0.715 11.224 -7.277 1.00 0.00 H new ATOM 0 HD13 ILE B 80 0.626 10.354 -8.060 1.00 0.00 H new ATOM 1492 N LEU B 81 1.476 6.749 -4.559 1.00 0.00 N ATOM 1493 CA LEU B 81 1.927 6.102 -3.333 1.00 0.00 C ATOM 1494 C LEU B 81 3.450 6.029 -3.273 1.00 0.00 C ATOM 1495 O LEU B 81 4.034 5.953 -2.192 1.00 0.00 O ATOM 1496 CB LEU B 81 1.337 4.694 -3.227 1.00 0.00 C ATOM 1497 CG LEU B 81 1.126 4.189 -1.798 1.00 0.00 C ATOM 1498 CD1 LEU B 81 2.464 3.994 -1.101 1.00 0.00 C ATOM 1499 CD2 LEU B 81 0.250 5.155 -1.016 1.00 0.00 C ATOM 0 H LEU B 81 1.012 6.125 -5.219 1.00 0.00 H new ATOM 0 HA LEU B 81 1.579 6.703 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU B 81 0.380 4.677 -3.748 1.00 0.00 H new ATOM 0 HB3 LEU B 81 1.996 4.000 -3.748 1.00 0.00 H new ATOM 0 HG LEU B 81 0.618 3.226 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU B 81 2.296 3.635 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU B 81 3.058 3.264 -1.651 1.00 0.00 H new ATOM 0 HD13 LEU B 81 2.998 4.944 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU B 81 0.110 4.780 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU B 81 0.730 6.133 -0.979 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -0.719 5.245 -1.506 1.00 0.00 H new ATOM 1511 N LYS B 82 4.089 6.055 -4.438 1.00 0.00 N ATOM 1512 CA LYS B 82 5.544 5.993 -4.510 1.00 0.00 C ATOM 1513 C LYS B 82 6.150 7.391 -4.476 1.00 0.00 C ATOM 1514 O LYS B 82 6.841 7.758 -3.525 1.00 0.00 O ATOM 1515 CB LYS B 82 5.984 5.268 -5.783 1.00 0.00 C ATOM 1516 CG LYS B 82 5.667 3.780 -5.780 1.00 0.00 C ATOM 1517 CD LYS B 82 6.915 2.944 -5.541 1.00 0.00 C ATOM 1518 CE LYS B 82 6.670 1.858 -4.505 1.00 0.00 C ATOM 1519 NZ LYS B 82 6.809 2.373 -3.116 1.00 0.00 N ATOM 0 H LYS B 82 3.623 6.118 -5.343 1.00 0.00 H new ATOM 0 HA LYS B 82 5.901 5.439 -3.642 1.00 0.00 H new ATOM 0 HB2 LYS B 82 5.498 5.732 -6.641 1.00 0.00 H new ATOM 0 HB3 LYS B 82 7.058 5.401 -5.914 1.00 0.00 H new ATOM 0 HG2 LYS B 82 4.930 3.566 -5.006 1.00 0.00 H new ATOM 0 HG3 LYS B 82 5.218 3.501 -6.733 1.00 0.00 H new ATOM 0 HD2 LYS B 82 7.234 2.488 -6.479 1.00 0.00 H new ATOM 0 HD3 LYS B 82 7.728 3.589 -5.208 1.00 0.00 H new ATOM 0 HE2 LYS B 82 5.670 1.446 -4.641 1.00 0.00 H new ATOM 0 HE3 LYS B 82 7.375 1.042 -4.661 1.00 0.00 H new ATOM 0 HZ1 LYS B 82 6.634 1.602 -2.441 1.00 0.00 H new ATOM 0 HZ2 LYS B 82 7.771 2.743 -2.978 1.00 0.00 H new ATOM 0 HZ3 LYS B 82 6.119 3.135 -2.958 1.00 0.00 H new ATOM 1533 N MET B 83 5.887 8.166 -5.523 1.00 0.00 N ATOM 1534 CA MET B 83 6.407 9.526 -5.622 1.00 0.00 C ATOM 1535 C MET B 83 5.961 10.376 -4.435 1.00 0.00 C ATOM 1536 O MET B 83 6.623 11.352 -4.080 1.00 0.00 O ATOM 1537 CB MET B 83 5.954 10.176 -6.930 1.00 0.00 C ATOM 1538 CG MET B 83 6.328 9.375 -8.168 1.00 0.00 C ATOM 1539 SD MET B 83 6.238 10.353 -9.680 1.00 0.00 S ATOM 1540 CE MET B 83 7.511 11.574 -9.371 1.00 0.00 C ATOM 0 H MET B 83 5.316 7.875 -6.317 1.00 0.00 H new ATOM 0 HA MET B 83 7.495 9.468 -5.611 1.00 0.00 H new ATOM 0 HB2 MET B 83 4.872 10.307 -6.905 1.00 0.00 H new ATOM 0 HB3 MET B 83 6.394 11.170 -7.004 1.00 0.00 H new ATOM 0 HG2 MET B 83 7.339 8.985 -8.052 1.00 0.00 H new ATOM 0 HG3 MET B 83 5.663 8.516 -8.255 1.00 0.00 H new ATOM 0 HE1 MET B 83 8.136 11.680 -10.258 1.00 0.00 H new ATOM 0 HE2 MET B 83 7.047 12.532 -9.137 1.00 0.00 H new ATOM 0 HE3 MET B 83 8.126 11.254 -8.530 1.00 0.00 H new ATOM 1550 N ASP B 84 4.834 10.005 -3.828 1.00 0.00 N ATOM 1551 CA ASP B 84 4.294 10.735 -2.681 1.00 0.00 C ATOM 1552 C ASP B 84 3.586 12.010 -3.128 1.00 0.00 C ATOM 1553 O ASP B 84 2.397 12.193 -2.871 1.00 0.00 O ATOM 1554 CB ASP B 84 5.404 11.072 -1.680 1.00 0.00 C ATOM 1555 CG ASP B 84 4.993 10.795 -0.246 1.00 0.00 C ATOM 1556 OD1 ASP B 84 3.825 11.073 0.101 1.00 0.00 O ATOM 1557 OD2 ASP B 84 5.838 10.301 0.530 1.00 0.00 O ATOM 0 H ASP B 84 4.275 9.200 -4.113 1.00 0.00 H new ATOM 0 HA ASP B 84 3.565 10.090 -2.190 1.00 0.00 H new ATOM 0 HB2 ASP B 84 6.294 10.490 -1.919 1.00 0.00 H new ATOM 0 HB3 ASP B 84 5.674 12.123 -1.781 1.00 0.00 H new ATOM 1562 N SER B 85 4.323 12.891 -3.800 1.00 0.00 N ATOM 1563 CA SER B 85 3.760 14.147 -4.281 1.00 0.00 C ATOM 1564 C SER B 85 3.337 15.035 -3.113 1.00 0.00 C ATOM 1565 O SER B 85 3.749 14.816 -1.974 1.00 0.00 O ATOM 1566 CB SER B 85 2.562 13.878 -5.196 1.00 0.00 C ATOM 1567 OG SER B 85 2.840 12.823 -6.101 1.00 0.00 O ATOM 0 H SER B 85 5.309 12.758 -4.023 1.00 0.00 H new ATOM 0 HA SER B 85 4.530 14.668 -4.850 1.00 0.00 H new ATOM 0 HB2 SER B 85 1.690 13.625 -4.594 1.00 0.00 H new ATOM 0 HB3 SER B 85 2.314 14.782 -5.752 1.00 0.00 H new ATOM 0 HG SER B 85 2.060 12.669 -6.673 1.00 0.00 H new ATOM 1573 N LEU B 86 2.513 16.039 -3.402 1.00 0.00 N ATOM 1574 CA LEU B 86 2.035 16.961 -2.377 1.00 0.00 C ATOM 1575 C LEU B 86 3.162 17.867 -1.890 1.00 0.00 C ATOM 1576 O LEU B 86 3.170 18.300 -0.738 1.00 0.00 O ATOM 1577 CB LEU B 86 1.436 16.188 -1.198 1.00 0.00 C ATOM 1578 CG LEU B 86 0.197 16.827 -0.566 1.00 0.00 C ATOM 1579 CD1 LEU B 86 -1.072 16.248 -1.174 1.00 0.00 C ATOM 1580 CD2 LEU B 86 0.204 16.628 0.943 1.00 0.00 C ATOM 0 H LEU B 86 2.162 16.234 -4.340 1.00 0.00 H new ATOM 0 HA LEU B 86 1.259 17.585 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU B 86 1.176 15.185 -1.536 1.00 0.00 H new ATOM 0 HB3 LEU B 86 2.201 16.078 -0.429 1.00 0.00 H new ATOM 0 HG LEU B 86 0.220 17.897 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU B 86 -1.942 16.714 -0.712 1.00 0.00 H new ATOM 0 HD12 LEU B 86 -1.083 16.442 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU B 86 -1.101 15.172 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU B 86 -0.684 17.089 1.375 1.00 0.00 H new ATOM 0 HD22 LEU B 86 0.206 15.562 1.169 1.00 0.00 H new ATOM 0 HD23 LEU B 86 1.095 17.091 1.367 1.00 0.00 H new ATOM 1592 N ARG B 87 4.110 18.153 -2.777 1.00 0.00 N ATOM 1593 CA ARG B 87 5.240 19.013 -2.440 1.00 0.00 C ATOM 1594 C ARG B 87 5.467 20.057 -3.528 1.00 0.00 C ATOM 1595 O ARG B 87 5.520 21.252 -3.250 1.00 0.00 O ATOM 1596 CB ARG B 87 6.508 18.178 -2.240 1.00 0.00 C ATOM 1597 CG ARG B 87 6.614 17.554 -0.858 1.00 0.00 C ATOM 1598 CD ARG B 87 6.787 18.611 0.222 1.00 0.00 C ATOM 1599 NE ARG B 87 7.731 18.190 1.255 1.00 0.00 N ATOM 1600 CZ ARG B 87 7.996 18.898 2.351 1.00 0.00 C ATOM 1601 NH1 ARG B 87 7.390 20.061 2.562 1.00 0.00 N ATOM 1602 NH2 ARG B 87 8.867 18.442 3.241 1.00 0.00 N ATOM 0 H ARG B 87 4.118 17.802 -3.735 1.00 0.00 H new ATOM 0 HA ARG B 87 5.008 19.528 -1.508 1.00 0.00 H new ATOM 0 HB2 ARG B 87 6.534 17.387 -2.990 1.00 0.00 H new ATOM 0 HB3 ARG B 87 7.380 18.809 -2.412 1.00 0.00 H new ATOM 0 HG2 ARG B 87 5.718 16.967 -0.653 1.00 0.00 H new ATOM 0 HG3 ARG B 87 7.459 16.866 -0.833 1.00 0.00 H new ATOM 0 HD2 ARG B 87 7.136 19.539 -0.232 1.00 0.00 H new ATOM 0 HD3 ARG B 87 5.821 18.824 0.679 1.00 0.00 H new ATOM 0 HE ARG B 87 8.215 17.301 1.129 1.00 0.00 H new ATOM 0 HH11 ARG B 87 6.717 20.416 1.882 1.00 0.00 H new ATOM 0 HH12 ARG B 87 7.597 20.599 3.404 1.00 0.00 H new ATOM 0 HH21 ARG B 87 9.334 17.549 3.086 1.00 0.00 H new ATOM 0 HH22 ARG B 87 9.070 18.985 4.081 1.00 0.00 H new ATOM 1616 N ASP B 88 5.591 19.599 -4.769 1.00 0.00 N ATOM 1617 CA ASP B 88 5.803 20.501 -5.898 1.00 0.00 C ATOM 1618 C ASP B 88 4.540 21.311 -6.195 1.00 0.00 C ATOM 1619 O ASP B 88 4.575 22.282 -6.953 1.00 0.00 O ATOM 1620 CB ASP B 88 6.216 19.707 -7.138 1.00 0.00 C ATOM 1621 CG ASP B 88 7.722 19.580 -7.268 1.00 0.00 C ATOM 1622 OD1 ASP B 88 8.373 20.583 -7.628 1.00 0.00 O ATOM 1623 OD2 ASP B 88 8.247 18.478 -7.009 1.00 0.00 O ATOM 0 H ASP B 88 5.549 18.611 -5.020 1.00 0.00 H new ATOM 0 HA ASP B 88 6.602 21.193 -5.633 1.00 0.00 H new ATOM 0 HB2 ASP B 88 5.773 18.712 -7.093 1.00 0.00 H new ATOM 0 HB3 ASP B 88 5.817 20.194 -8.028 1.00 0.00 H new ATOM 1628 N ILE B 89 3.430 20.913 -5.573 1.00 0.00 N ATOM 1629 CA ILE B 89 2.158 21.598 -5.749 1.00 0.00 C ATOM 1630 C ILE B 89 2.027 22.685 -4.705 1.00 0.00 C ATOM 1631 O ILE B 89 1.791 23.848 -5.025 1.00 0.00 O ATOM 1632 CB ILE B 89 0.967 20.630 -5.623 1.00 0.00 C ATOM 1633 CG1 ILE B 89 1.190 19.399 -6.497 1.00 0.00 C ATOM 1634 CG2 ILE B 89 -0.330 21.330 -6.000 1.00 0.00 C ATOM 1635 CD1 ILE B 89 1.240 19.724 -7.967 1.00 0.00 C ATOM 0 H ILE B 89 3.391 20.114 -4.940 1.00 0.00 H new ATOM 0 HA ILE B 89 2.142 22.026 -6.752 1.00 0.00 H new ATOM 0 HB ILE B 89 0.890 20.306 -4.585 1.00 0.00 H new ATOM 0 HG12 ILE B 89 2.123 18.917 -6.205 1.00 0.00 H new ATOM 0 HG13 ILE B 89 0.390 18.681 -6.316 1.00 0.00 H new ATOM 0 HG21 ILE B 89 -1.161 20.631 -5.905 1.00 0.00 H new ATOM 0 HG22 ILE B 89 -0.492 22.179 -5.336 1.00 0.00 H new ATOM 0 HG23 ILE B 89 -0.267 21.682 -7.030 1.00 0.00 H new ATOM 0 HD11 ILE B 89 1.401 18.809 -8.537 1.00 0.00 H new ATOM 0 HD12 ILE B 89 0.298 20.180 -8.271 1.00 0.00 H new ATOM 0 HD13 ILE B 89 2.058 20.419 -8.158 1.00 0.00 H new ATOM 1647 N GLU B 90 2.226 22.301 -3.451 1.00 0.00 N ATOM 1648 CA GLU B 90 2.178 23.249 -2.355 1.00 0.00 C ATOM 1649 C GLU B 90 3.336 24.229 -2.493 1.00 0.00 C ATOM 1650 O GLU B 90 3.333 25.306 -1.902 1.00 0.00 O ATOM 1651 CB GLU B 90 2.260 22.516 -1.014 1.00 0.00 C ATOM 1652 CG GLU B 90 2.155 23.434 0.193 1.00 0.00 C ATOM 1653 CD GLU B 90 3.214 23.145 1.239 1.00 0.00 C ATOM 1654 OE1 GLU B 90 2.961 22.299 2.122 1.00 0.00 O ATOM 1655 OE2 GLU B 90 4.295 23.765 1.174 1.00 0.00 O ATOM 0 H GLU B 90 2.422 21.340 -3.172 1.00 0.00 H new ATOM 0 HA GLU B 90 1.235 23.794 -2.388 1.00 0.00 H new ATOM 0 HB2 GLU B 90 1.462 21.775 -0.966 1.00 0.00 H new ATOM 0 HB3 GLU B 90 3.203 21.972 -0.965 1.00 0.00 H new ATOM 0 HG2 GLU B 90 2.246 24.470 -0.134 1.00 0.00 H new ATOM 0 HG3 GLU B 90 1.167 23.327 0.642 1.00 0.00 H new ATOM 1662 N ALA B 91 4.329 23.837 -3.296 1.00 0.00 N ATOM 1663 CA ALA B 91 5.505 24.660 -3.541 1.00 0.00 C ATOM 1664 C ALA B 91 5.262 25.607 -4.708 1.00 0.00 C ATOM 1665 O ALA B 91 5.427 26.820 -4.580 1.00 0.00 O ATOM 1666 CB ALA B 91 6.716 23.781 -3.813 1.00 0.00 C ATOM 0 H ALA B 91 4.336 22.944 -3.790 1.00 0.00 H new ATOM 0 HA ALA B 91 5.701 25.257 -2.650 1.00 0.00 H new ATOM 0 HB1 ALA B 91 7.588 24.409 -3.995 1.00 0.00 H new ATOM 0 HB2 ALA B 91 6.903 23.142 -2.950 1.00 0.00 H new ATOM 0 HB3 ALA B 91 6.526 23.161 -4.690 1.00 0.00 H new ATOM 1672 N LEU B 92 4.853 25.051 -5.845 1.00 0.00 N ATOM 1673 CA LEU B 92 4.575 25.869 -7.019 1.00 0.00 C ATOM 1674 C LEU B 92 3.452 26.857 -6.713 1.00 0.00 C ATOM 1675 O LEU B 92 3.311 27.882 -7.379 1.00 0.00 O ATOM 1676 CB LEU B 92 4.192 24.997 -8.218 1.00 0.00 C ATOM 1677 CG LEU B 92 5.331 24.702 -9.195 1.00 0.00 C ATOM 1678 CD1 LEU B 92 6.537 24.140 -8.458 1.00 0.00 C ATOM 1679 CD2 LEU B 92 4.867 23.737 -10.277 1.00 0.00 C ATOM 0 H LEU B 92 4.708 24.050 -5.977 1.00 0.00 H new ATOM 0 HA LEU B 92 5.481 26.420 -7.273 1.00 0.00 H new ATOM 0 HB2 LEU B 92 3.797 24.051 -7.848 1.00 0.00 H new ATOM 0 HB3 LEU B 92 3.385 25.488 -8.762 1.00 0.00 H new ATOM 0 HG LEU B 92 5.627 25.637 -9.671 1.00 0.00 H new ATOM 0 HD11 LEU B 92 7.336 23.937 -9.170 1.00 0.00 H new ATOM 0 HD12 LEU B 92 6.883 24.865 -7.721 1.00 0.00 H new ATOM 0 HD13 LEU B 92 6.257 23.215 -7.954 1.00 0.00 H new ATOM 0 HD21 LEU B 92 5.690 23.538 -10.964 1.00 0.00 H new ATOM 0 HD22 LEU B 92 4.544 22.803 -9.817 1.00 0.00 H new ATOM 0 HD23 LEU B 92 4.035 24.178 -10.826 1.00 0.00 H new ATOM 1691 N LEU B 93 2.658 26.538 -5.694 1.00 0.00 N ATOM 1692 CA LEU B 93 1.551 27.390 -5.291 1.00 0.00 C ATOM 1693 C LEU B 93 1.971 28.331 -4.169 1.00 0.00 C ATOM 1694 O LEU B 93 1.566 29.493 -4.145 1.00 0.00 O ATOM 1695 CB LEU B 93 0.360 26.541 -4.843 1.00 0.00 C ATOM 1696 CG LEU B 93 -0.582 26.105 -5.965 1.00 0.00 C ATOM 1697 CD1 LEU B 93 0.038 24.977 -6.777 1.00 0.00 C ATOM 1698 CD2 LEU B 93 -1.926 25.678 -5.397 1.00 0.00 C ATOM 0 H LEU B 93 2.764 25.693 -5.133 1.00 0.00 H new ATOM 0 HA LEU B 93 1.255 27.989 -6.152 1.00 0.00 H new ATOM 0 HB2 LEU B 93 0.737 25.651 -4.339 1.00 0.00 H new ATOM 0 HB3 LEU B 93 -0.213 27.105 -4.107 1.00 0.00 H new ATOM 0 HG LEU B 93 -0.743 26.955 -6.628 1.00 0.00 H new ATOM 0 HD11 LEU B 93 -0.648 24.681 -7.571 1.00 0.00 H new ATOM 0 HD12 LEU B 93 0.976 25.318 -7.216 1.00 0.00 H new ATOM 0 HD13 LEU B 93 0.231 24.124 -6.127 1.00 0.00 H new ATOM 0 HD21 LEU B 93 -2.584 25.371 -6.210 1.00 0.00 H new ATOM 0 HD22 LEU B 93 -1.782 24.843 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU B 93 -2.377 26.514 -4.862 1.00 0.00 H new ATOM 1710 N THR B 94 2.788 27.840 -3.241 1.00 0.00 N ATOM 1711 CA THR B 94 3.242 28.683 -2.138 1.00 0.00 C ATOM 1712 C THR B 94 4.255 29.719 -2.625 1.00 0.00 C ATOM 1713 O THR B 94 4.573 30.671 -1.910 1.00 0.00 O ATOM 1714 CB THR B 94 3.847 27.848 -1.010 1.00 0.00 C ATOM 1715 OG1 THR B 94 4.043 28.643 0.148 1.00 0.00 O ATOM 1716 CG2 THR B 94 5.176 27.232 -1.368 1.00 0.00 C ATOM 0 H THR B 94 3.143 26.884 -3.228 1.00 0.00 H new ATOM 0 HA THR B 94 2.368 29.204 -1.746 1.00 0.00 H new ATOM 0 HB THR B 94 3.131 27.046 -0.828 1.00 0.00 H new ATOM 0 HG1 THR B 94 4.232 29.567 -0.118 1.00 0.00 H new ATOM 0 HG21 THR B 94 5.548 26.653 -0.523 1.00 0.00 H new ATOM 0 HG22 THR B 94 5.053 26.577 -2.230 1.00 0.00 H new ATOM 0 HG23 THR B 94 5.889 28.020 -1.610 1.00 0.00 H new ATOM 1724 N GLY B 95 4.763 29.528 -3.842 1.00 0.00 N ATOM 1725 CA GLY B 95 5.736 30.455 -4.391 1.00 0.00 C ATOM 1726 C GLY B 95 5.286 31.090 -5.696 1.00 0.00 C ATOM 1727 O GLY B 95 5.635 32.234 -5.984 1.00 0.00 O ATOM 0 H GLY B 95 4.518 28.750 -4.454 1.00 0.00 H new ATOM 0 HA2 GLY B 95 5.933 31.240 -3.661 1.00 0.00 H new ATOM 0 HA3 GLY B 95 6.677 29.930 -4.555 1.00 0.00 H new ATOM 1731 N LEU B 96 4.519 30.349 -6.494 1.00 0.00 N ATOM 1732 CA LEU B 96 4.039 30.859 -7.776 1.00 0.00 C ATOM 1733 C LEU B 96 2.526 30.991 -7.810 1.00 0.00 C ATOM 1734 O LEU B 96 1.949 31.293 -8.854 1.00 0.00 O ATOM 1735 CB LEU B 96 4.473 29.936 -8.907 1.00 0.00 C ATOM 1736 CG LEU B 96 5.056 30.639 -10.133 1.00 0.00 C ATOM 1737 CD1 LEU B 96 5.803 29.650 -11.012 1.00 0.00 C ATOM 1738 CD2 LEU B 96 3.953 31.331 -10.922 1.00 0.00 C ATOM 0 H LEU B 96 4.218 29.399 -6.277 1.00 0.00 H new ATOM 0 HA LEU B 96 4.475 31.850 -7.904 1.00 0.00 H new ATOM 0 HB2 LEU B 96 5.216 29.238 -8.520 1.00 0.00 H new ATOM 0 HB3 LEU B 96 3.613 29.344 -9.222 1.00 0.00 H new ATOM 0 HG LEU B 96 5.764 31.395 -9.793 1.00 0.00 H new ATOM 0 HD11 LEU B 96 6.210 30.170 -11.879 1.00 0.00 H new ATOM 0 HD12 LEU B 96 6.617 29.200 -10.443 1.00 0.00 H new ATOM 0 HD13 LEU B 96 5.118 28.870 -11.345 1.00 0.00 H new ATOM 0 HD21 LEU B 96 4.384 31.827 -11.792 1.00 0.00 H new ATOM 0 HD22 LEU B 96 3.222 30.592 -11.251 1.00 0.00 H new ATOM 0 HD23 LEU B 96 3.462 32.070 -10.289 1.00 0.00 H new ATOM 1750 N PHE B 97 1.889 30.748 -6.679 1.00 0.00 N ATOM 1751 CA PHE B 97 0.436 30.825 -6.583 1.00 0.00 C ATOM 1752 C PHE B 97 -0.216 30.094 -7.765 1.00 0.00 C ATOM 1753 O PHE B 97 0.304 29.081 -8.231 1.00 0.00 O ATOM 1754 CB PHE B 97 -0.012 32.293 -6.498 1.00 0.00 C ATOM 1755 CG PHE B 97 0.516 33.167 -7.602 1.00 0.00 C ATOM 1756 CD1 PHE B 97 1.728 33.824 -7.458 1.00 0.00 C ATOM 1757 CD2 PHE B 97 -0.198 33.337 -8.779 1.00 0.00 C ATOM 1758 CE1 PHE B 97 2.219 34.631 -8.465 1.00 0.00 C ATOM 1759 CE2 PHE B 97 0.290 34.145 -9.789 1.00 0.00 C ATOM 1760 CZ PHE B 97 1.500 34.791 -9.633 1.00 0.00 C ATOM 0 H PHE B 97 2.355 30.494 -5.808 1.00 0.00 H new ATOM 0 HA PHE B 97 0.108 30.327 -5.670 1.00 0.00 H new ATOM 0 HB2 PHE B 97 -1.101 32.329 -6.511 1.00 0.00 H new ATOM 0 HB3 PHE B 97 0.309 32.704 -5.541 1.00 0.00 H new ATOM 0 HD1 PHE B 97 2.295 33.703 -6.547 1.00 0.00 H new ATOM 0 HD2 PHE B 97 -1.145 32.833 -8.908 1.00 0.00 H new ATOM 0 HE1 PHE B 97 3.165 35.137 -8.339 1.00 0.00 H new ATOM 0 HE2 PHE B 97 -0.276 34.271 -10.700 1.00 0.00 H new ATOM 0 HZ PHE B 97 1.883 35.420 -10.423 1.00 0.00 H new ATOM 1770 N VAL B 98 -1.346 30.599 -8.246 1.00 0.00 N ATOM 1771 CA VAL B 98 -2.043 29.979 -9.366 1.00 0.00 C ATOM 1772 C VAL B 98 -1.398 30.358 -10.696 1.00 0.00 C ATOM 1773 O VAL B 98 -0.703 31.368 -10.794 1.00 0.00 O ATOM 1774 CB VAL B 98 -3.532 30.376 -9.390 1.00 0.00 C ATOM 1775 CG1 VAL B 98 -3.687 31.877 -9.581 1.00 0.00 C ATOM 1776 CG2 VAL B 98 -4.269 29.612 -10.478 1.00 0.00 C ATOM 0 H VAL B 98 -1.799 31.436 -7.878 1.00 0.00 H new ATOM 0 HA VAL B 98 -1.967 28.900 -9.228 1.00 0.00 H new ATOM 0 HB VAL B 98 -3.974 30.112 -8.429 1.00 0.00 H new ATOM 0 HG11 VAL B 98 -4.746 32.135 -9.595 1.00 0.00 H new ATOM 0 HG12 VAL B 98 -3.197 32.401 -8.760 1.00 0.00 H new ATOM 0 HG13 VAL B 98 -3.229 32.173 -10.525 1.00 0.00 H new ATOM 0 HG21 VAL B 98 -5.319 29.905 -10.481 1.00 0.00 H new ATOM 0 HG22 VAL B 98 -3.826 29.841 -11.447 1.00 0.00 H new ATOM 0 HG23 VAL B 98 -4.191 28.542 -10.287 1.00 0.00 H new