USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 9 GLN : amide:sc= -0.373 K(o=-0.37,f=-1.1) USER MOD Single : A 6 SER OG : rot 87:sc= 0.748 USER MOD Single : A 8 MET CE :methyl 169:sc= -0.0247 (180deg=-0.254) USER MOD Single : A 13 MET CE :methyl -158:sc= -0.211 (180deg=-0.932) USER MOD Single : A 20 CYS SG : rot -80:sc= -2.34! USER MOD Single : A 22 LYS NZ :NH3+ -152:sc= 1.15 (180deg=-0.182) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -71:sc= 0.469 USER MOD Single : A 29 ASN : amide:sc= -0.512 K(o=-0.51,f=-1.9) USER MOD Single : A 30 MET CE :methyl 150:sc= -0.147 (180deg=-1.22) USER MOD Single : A 37 ASN : amide:sc=-0.00963 X(o=-0.0096,f=0) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 86 THR OG1 : rot 56:sc= 0.265 USER MOD Single : A 87 SER OG : rot 89:sc= 1.28 USER MOD Single : A 88 MET CE :methyl -161:sc= -0.0962 (180deg=-0.589) USER MOD Single : A 91 GLN : amide:sc= -1.35 K(o=-1.3,f=-3.5!) USER MOD Single : A 93 ASN : amide:sc= -0.0271 X(o=-0.027,f=0) USER MOD Single : A 94 GLN : amide:sc= -1.79 K(o=-1.8,f=-7.6!) USER MOD Single : A 97 GLN : amide:sc= -1.47! K(o=-1.5!,f=-0.033) USER MOD Single : A 102 THR OG1 : rot 152:sc= -0.964! USER MOD Single : A 103 ASN : amide:sc= -0.0235 K(o=-0.023,f=-0.7) USER MOD Single : A 104 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.29) USER MOD Single : A 105 ASN : amide:sc= 1.08 K(o=1.1,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 15 N ILE A 2 -47.198 10.219 3.859 1.00 5.46 N ATOM 16 CA ILE A 2 -46.228 9.317 3.254 1.00 4.94 C ATOM 17 C ILE A 2 -44.809 9.864 3.377 1.00 4.60 C ATOM 18 O ILE A 2 -44.479 10.905 2.805 1.00 4.72 O ATOM 19 CB ILE A 2 -46.548 9.084 1.761 1.00 4.98 C ATOM 20 CG1 ILE A 2 -47.999 8.639 1.591 1.00 5.40 C ATOM 21 CG2 ILE A 2 -45.611 8.042 1.172 1.00 4.52 C ATOM 22 CD1 ILE A 2 -48.441 8.556 0.148 1.00 5.69 C ATOM 0 HA ILE A 2 -46.293 8.371 3.792 1.00 4.94 H new ATOM 0 HB ILE A 2 -46.404 10.024 1.229 1.00 4.98 H new ATOM 0 HG12 ILE A 2 -48.128 7.663 2.059 1.00 5.40 H new ATOM 0 HG13 ILE A 2 -48.648 9.335 2.122 1.00 5.40 H new ATOM 0 HG21 ILE A 2 -45.851 7.890 0.120 1.00 4.52 H new ATOM 0 HG22 ILE A 2 -44.581 8.386 1.264 1.00 4.52 H new ATOM 0 HG23 ILE A 2 -45.729 7.101 1.710 1.00 4.52 H new ATOM 0 HD11 ILE A 2 -49.481 8.234 0.104 1.00 5.69 H new ATOM 0 HD12 ILE A 2 -48.345 9.536 -0.319 1.00 5.69 H new ATOM 0 HD13 ILE A 2 -47.816 7.838 -0.383 1.00 5.69 H new ATOM 34 N ASP A 3 -43.981 9.175 4.142 1.00 4.29 N ATOM 35 CA ASP A 3 -42.575 9.537 4.251 1.00 4.07 C ATOM 36 C ASP A 3 -41.791 8.947 3.097 1.00 3.76 C ATOM 37 O ASP A 3 -41.177 7.885 3.218 1.00 3.50 O ATOM 38 CB ASP A 3 -41.975 9.075 5.581 1.00 3.99 C ATOM 39 CG ASP A 3 -42.457 9.898 6.756 1.00 4.25 C ATOM 40 OD1 ASP A 3 -42.183 11.117 6.778 1.00 4.60 O ATOM 41 OD2 ASP A 3 -43.107 9.338 7.662 1.00 4.39 O ATOM 0 H ASP A 3 -44.255 8.364 4.696 1.00 4.29 H new ATOM 0 HA ASP A 3 -42.510 10.624 4.214 1.00 4.07 H new ATOM 0 HB2 ASP A 3 -42.231 8.028 5.746 1.00 3.99 H new ATOM 0 HB3 ASP A 3 -40.888 9.132 5.524 1.00 3.99 H new ATOM 46 N GLU A 4 -41.826 9.640 1.969 1.00 3.88 N ATOM 47 CA GLU A 4 -41.110 9.220 0.776 1.00 3.72 C ATOM 48 C GLU A 4 -39.601 9.406 0.940 1.00 3.64 C ATOM 49 O GLU A 4 -38.821 9.066 0.052 1.00 3.58 O ATOM 50 CB GLU A 4 -41.640 9.971 -0.443 1.00 4.04 C ATOM 51 CG GLU A 4 -43.066 9.583 -0.793 1.00 4.23 C ATOM 52 CD GLU A 4 -43.691 10.505 -1.813 1.00 4.68 C ATOM 53 OE1 GLU A 4 -43.556 10.237 -3.024 1.00 4.67 O ATOM 54 OE2 GLU A 4 -44.313 11.504 -1.406 1.00 5.13 O ATOM 0 H GLU A 4 -42.351 10.507 1.856 1.00 3.88 H new ATOM 0 HA GLU A 4 -41.283 8.155 0.623 1.00 3.72 H new ATOM 0 HB2 GLU A 4 -41.595 11.043 -0.252 1.00 4.04 H new ATOM 0 HB3 GLU A 4 -40.993 9.772 -1.297 1.00 4.04 H new ATOM 0 HG2 GLU A 4 -43.076 8.563 -1.178 1.00 4.23 H new ATOM 0 HG3 GLU A 4 -43.672 9.588 0.113 1.00 4.23 H new ATOM 61 N SER A 5 -39.191 9.953 2.072 1.00 3.76 N ATOM 62 CA SER A 5 -37.790 9.943 2.438 1.00 3.85 C ATOM 63 C SER A 5 -37.325 8.492 2.559 1.00 3.61 C ATOM 64 O SER A 5 -36.210 8.154 2.170 1.00 3.72 O ATOM 65 CB SER A 5 -37.573 10.695 3.758 1.00 4.10 C ATOM 66 OG SER A 5 -36.193 10.808 4.069 1.00 4.17 O ATOM 0 H SER A 5 -39.806 10.406 2.748 1.00 3.76 H new ATOM 0 HA SER A 5 -37.206 10.449 1.670 1.00 3.85 H new ATOM 0 HB2 SER A 5 -38.014 11.689 3.689 1.00 4.10 H new ATOM 0 HB3 SER A 5 -38.088 10.173 4.565 1.00 4.10 H new ATOM 0 HG SER A 5 -36.087 11.293 4.914 1.00 4.17 H new ATOM 72 N SER A 6 -38.218 7.632 3.053 1.00 3.37 N ATOM 73 CA SER A 6 -37.924 6.215 3.230 1.00 3.21 C ATOM 74 C SER A 6 -37.532 5.564 1.905 1.00 3.07 C ATOM 75 O SER A 6 -36.499 4.892 1.812 1.00 3.14 O ATOM 76 CB SER A 6 -39.146 5.504 3.810 1.00 3.12 C ATOM 77 OG SER A 6 -39.684 6.230 4.904 1.00 3.42 O ATOM 0 H SER A 6 -39.160 7.900 3.339 1.00 3.37 H new ATOM 0 HA SER A 6 -37.083 6.124 3.918 1.00 3.21 H new ATOM 0 HB2 SER A 6 -39.905 5.389 3.037 1.00 3.12 H new ATOM 0 HB3 SER A 6 -38.868 4.502 4.136 1.00 3.12 H new ATOM 0 HG SER A 6 -40.323 6.895 4.573 1.00 3.42 H new ATOM 83 N VAL A 7 -38.344 5.783 0.873 1.00 2.98 N ATOM 84 CA VAL A 7 -38.079 5.184 -0.425 1.00 2.91 C ATOM 85 C VAL A 7 -36.781 5.713 -1.009 1.00 3.12 C ATOM 86 O VAL A 7 -35.987 4.958 -1.563 1.00 3.14 O ATOM 87 CB VAL A 7 -39.238 5.382 -1.435 1.00 2.96 C ATOM 88 CG1 VAL A 7 -39.692 6.824 -1.523 1.00 3.24 C ATOM 89 CG2 VAL A 7 -38.825 4.881 -2.805 1.00 2.98 C ATOM 0 H VAL A 7 -39.181 6.365 0.913 1.00 2.98 H new ATOM 0 HA VAL A 7 -37.988 4.112 -0.252 1.00 2.91 H new ATOM 0 HB VAL A 7 -40.085 4.801 -1.070 1.00 2.96 H new ATOM 0 HG11 VAL A 7 -40.505 6.906 -2.244 1.00 3.24 H new ATOM 0 HG12 VAL A 7 -40.040 7.156 -0.545 1.00 3.24 H new ATOM 0 HG13 VAL A 7 -38.858 7.449 -1.843 1.00 3.24 H new ATOM 0 HG21 VAL A 7 -39.646 5.024 -3.508 1.00 2.98 H new ATOM 0 HG22 VAL A 7 -37.953 5.437 -3.148 1.00 2.98 H new ATOM 0 HG23 VAL A 7 -38.579 3.821 -2.746 1.00 2.98 H new ATOM 99 N MET A 8 -36.558 7.007 -0.856 1.00 3.37 N ATOM 100 CA MET A 8 -35.329 7.625 -1.328 1.00 3.71 C ATOM 101 C MET A 8 -34.113 7.076 -0.592 1.00 3.85 C ATOM 102 O MET A 8 -33.025 7.013 -1.156 1.00 4.12 O ATOM 103 CB MET A 8 -35.403 9.142 -1.190 1.00 4.00 C ATOM 104 CG MET A 8 -36.256 9.791 -2.261 1.00 4.07 C ATOM 105 SD MET A 8 -36.617 11.528 -1.919 1.00 4.46 S ATOM 106 CE MET A 8 -34.964 12.218 -1.899 1.00 5.17 C ATOM 0 H MET A 8 -37.211 7.651 -0.409 1.00 3.37 H new ATOM 0 HA MET A 8 -35.217 7.379 -2.384 1.00 3.71 H new ATOM 0 HB2 MET A 8 -35.807 9.393 -0.209 1.00 4.00 H new ATOM 0 HB3 MET A 8 -34.395 9.555 -1.235 1.00 4.00 H new ATOM 0 HG2 MET A 8 -35.745 9.714 -3.221 1.00 4.07 H new ATOM 0 HG3 MET A 8 -37.193 9.242 -2.354 1.00 4.07 H new ATOM 0 HE1 MET A 8 -35.024 13.306 -1.895 1.00 5.17 H new ATOM 0 HE2 MET A 8 -34.440 11.880 -1.005 1.00 5.17 H new ATOM 0 HE3 MET A 8 -34.421 11.888 -2.785 1.00 5.17 H new ATOM 116 N GLN A 9 -34.294 6.666 0.659 1.00 3.77 N ATOM 117 CA GLN A 9 -33.209 6.050 1.411 1.00 4.01 C ATOM 118 C GLN A 9 -32.796 4.732 0.769 1.00 3.96 C ATOM 119 O GLN A 9 -31.607 4.460 0.613 1.00 4.33 O ATOM 120 CB GLN A 9 -33.598 5.830 2.873 1.00 4.00 C ATOM 121 CG GLN A 9 -33.817 7.125 3.640 1.00 4.36 C ATOM 122 CD GLN A 9 -32.623 8.059 3.563 1.00 4.96 C ATOM 123 OE1 GLN A 9 -31.475 7.618 3.484 1.00 5.38 O ATOM 124 NE2 GLN A 9 -32.888 9.357 3.570 1.00 5.37 N ATOM 0 H GLN A 9 -35.173 6.748 1.169 1.00 3.77 H new ATOM 0 HA GLN A 9 -32.360 6.734 1.389 1.00 4.01 H new ATOM 0 HB2 GLN A 9 -34.510 5.234 2.913 1.00 4.00 H new ATOM 0 HB3 GLN A 9 -32.817 5.252 3.366 1.00 4.00 H new ATOM 0 HG2 GLN A 9 -34.697 7.633 3.244 1.00 4.36 H new ATOM 0 HG3 GLN A 9 -34.025 6.893 4.685 1.00 4.36 H new ATOM 0 HE21 GLN A 9 -33.853 9.680 3.637 1.00 5.37 H new ATOM 0 HE22 GLN A 9 -32.127 10.033 3.509 1.00 5.37 H new ATOM 133 N LEU A 10 -33.780 3.917 0.385 1.00 3.56 N ATOM 134 CA LEU A 10 -33.491 2.675 -0.333 1.00 3.52 C ATOM 135 C LEU A 10 -32.954 2.995 -1.716 1.00 3.65 C ATOM 136 O LEU A 10 -32.031 2.347 -2.212 1.00 3.90 O ATOM 137 CB LEU A 10 -34.744 1.822 -0.523 1.00 3.15 C ATOM 138 CG LEU A 10 -35.645 1.623 0.687 1.00 3.03 C ATOM 139 CD1 LEU A 10 -36.740 0.654 0.328 1.00 2.85 C ATOM 140 CD2 LEU A 10 -34.865 1.126 1.890 1.00 3.23 C ATOM 0 H LEU A 10 -34.770 4.091 0.556 1.00 3.56 H new ATOM 0 HA LEU A 10 -32.763 2.126 0.264 1.00 3.52 H new ATOM 0 HB2 LEU A 10 -35.340 2.272 -1.317 1.00 3.15 H new ATOM 0 HB3 LEU A 10 -34.432 0.839 -0.876 1.00 3.15 H new ATOM 0 HG LEU A 10 -36.078 2.584 0.963 1.00 3.03 H new ATOM 0 HD11 LEU A 10 -37.391 0.505 1.189 1.00 2.85 H new ATOM 0 HD12 LEU A 10 -37.322 1.054 -0.502 1.00 2.85 H new ATOM 0 HD13 LEU A 10 -36.301 -0.300 0.036 1.00 2.85 H new ATOM 0 HD21 LEU A 10 -35.542 0.996 2.734 1.00 3.23 H new ATOM 0 HD22 LEU A 10 -34.396 0.172 1.651 1.00 3.23 H new ATOM 0 HD23 LEU A 10 -34.096 1.853 2.151 1.00 3.23 H new ATOM 152 N ALA A 11 -33.560 4.003 -2.326 1.00 3.56 N ATOM 153 CA ALA A 11 -33.245 4.395 -3.692 1.00 3.74 C ATOM 154 C ALA A 11 -31.794 4.838 -3.836 1.00 4.22 C ATOM 155 O ALA A 11 -31.066 4.336 -4.690 1.00 4.46 O ATOM 156 CB ALA A 11 -34.183 5.510 -4.144 1.00 3.71 C ATOM 0 H ALA A 11 -34.284 4.572 -1.888 1.00 3.56 H new ATOM 0 HA ALA A 11 -33.385 3.521 -4.328 1.00 3.74 H new ATOM 0 HB1 ALA A 11 -33.940 5.797 -5.167 1.00 3.71 H new ATOM 0 HB2 ALA A 11 -35.214 5.158 -4.101 1.00 3.71 H new ATOM 0 HB3 ALA A 11 -34.066 6.372 -3.488 1.00 3.71 H new ATOM 162 N GLU A 12 -31.370 5.744 -2.969 1.00 4.41 N ATOM 163 CA GLU A 12 -30.034 6.325 -3.056 1.00 4.92 C ATOM 164 C GLU A 12 -28.946 5.316 -2.701 1.00 5.14 C ATOM 165 O GLU A 12 -27.781 5.507 -3.046 1.00 5.60 O ATOM 166 CB GLU A 12 -29.925 7.543 -2.141 1.00 5.13 C ATOM 167 CG GLU A 12 -30.822 8.700 -2.554 1.00 5.27 C ATOM 168 CD GLU A 12 -30.530 9.184 -3.959 1.00 5.79 C ATOM 169 OE1 GLU A 12 -29.372 9.559 -4.243 1.00 6.27 O ATOM 170 OE2 GLU A 12 -31.458 9.193 -4.792 1.00 5.95 O ATOM 0 H GLU A 12 -31.932 6.096 -2.194 1.00 4.41 H new ATOM 0 HA GLU A 12 -29.882 6.629 -4.092 1.00 4.92 H new ATOM 0 HB2 GLU A 12 -30.176 7.245 -1.123 1.00 5.13 H new ATOM 0 HB3 GLU A 12 -28.890 7.884 -2.127 1.00 5.13 H new ATOM 0 HG2 GLU A 12 -31.865 8.389 -2.489 1.00 5.27 H new ATOM 0 HG3 GLU A 12 -30.691 9.525 -1.854 1.00 5.27 H new ATOM 177 N MET A 13 -29.315 4.246 -2.010 1.00 4.88 N ATOM 178 CA MET A 13 -28.333 3.241 -1.618 1.00 5.14 C ATOM 179 C MET A 13 -28.357 2.044 -2.563 1.00 4.89 C ATOM 180 O MET A 13 -27.528 1.141 -2.446 1.00 5.03 O ATOM 181 CB MET A 13 -28.557 2.774 -0.178 1.00 5.20 C ATOM 182 CG MET A 13 -29.783 1.898 0.000 1.00 4.86 C ATOM 183 SD MET A 13 -29.949 1.258 1.680 1.00 5.10 S ATOM 184 CE MET A 13 -28.448 0.289 1.826 1.00 5.16 C ATOM 0 H MET A 13 -30.271 4.052 -1.713 1.00 4.88 H new ATOM 0 HA MET A 13 -27.352 3.712 -1.680 1.00 5.14 H new ATOM 0 HB2 MET A 13 -27.678 2.224 0.156 1.00 5.20 H new ATOM 0 HB3 MET A 13 -28.650 3.648 0.467 1.00 5.20 H new ATOM 0 HG2 MET A 13 -30.674 2.472 -0.255 1.00 4.86 H new ATOM 0 HG3 MET A 13 -29.731 1.063 -0.698 1.00 4.86 H new ATOM 0 HE1 MET A 13 -28.573 -0.460 2.608 1.00 5.16 H new ATOM 0 HE2 MET A 13 -28.241 -0.207 0.878 1.00 5.16 H new ATOM 0 HE3 MET A 13 -27.615 0.944 2.082 1.00 5.16 H new ATOM 194 N GLY A 14 -29.292 2.041 -3.507 1.00 4.62 N ATOM 195 CA GLY A 14 -29.401 0.922 -4.421 1.00 4.51 C ATOM 196 C GLY A 14 -30.303 1.204 -5.605 1.00 4.38 C ATOM 197 O GLY A 14 -29.882 1.828 -6.581 1.00 4.75 O ATOM 0 H GLY A 14 -29.971 2.788 -3.654 1.00 4.62 H new ATOM 0 HA2 GLY A 14 -28.407 0.660 -4.784 1.00 4.51 H new ATOM 0 HA3 GLY A 14 -29.782 0.056 -3.880 1.00 4.51 H new ATOM 201 N PHE A 15 -31.543 0.749 -5.519 1.00 4.09 N ATOM 202 CA PHE A 15 -32.477 0.836 -6.635 1.00 4.04 C ATOM 203 C PHE A 15 -33.694 1.682 -6.267 1.00 3.73 C ATOM 204 O PHE A 15 -33.993 1.865 -5.089 1.00 3.48 O ATOM 205 CB PHE A 15 -32.922 -0.571 -7.051 1.00 4.10 C ATOM 206 CG PHE A 15 -31.798 -1.430 -7.557 1.00 4.27 C ATOM 207 CD1 PHE A 15 -31.358 -1.319 -8.866 1.00 4.60 C ATOM 208 CD2 PHE A 15 -31.189 -2.352 -6.723 1.00 4.36 C ATOM 209 CE1 PHE A 15 -30.330 -2.111 -9.334 1.00 5.01 C ATOM 210 CE2 PHE A 15 -30.160 -3.149 -7.185 1.00 4.78 C ATOM 211 CZ PHE A 15 -29.714 -3.011 -8.486 1.00 5.09 C ATOM 0 H PHE A 15 -31.930 0.312 -4.682 1.00 4.09 H new ATOM 0 HA PHE A 15 -31.969 1.317 -7.471 1.00 4.04 H new ATOM 0 HB2 PHE A 15 -33.389 -1.063 -6.198 1.00 4.10 H new ATOM 0 HB3 PHE A 15 -33.683 -0.488 -7.827 1.00 4.10 H new ATOM 0 HD1 PHE A 15 -31.825 -0.604 -9.527 1.00 4.60 H new ATOM 0 HD2 PHE A 15 -31.522 -2.449 -5.700 1.00 4.36 H new ATOM 0 HE1 PHE A 15 -30.007 -2.028 -10.361 1.00 5.01 H new ATOM 0 HE2 PHE A 15 -29.705 -3.878 -6.531 1.00 4.78 H new ATOM 0 HZ PHE A 15 -28.885 -3.606 -8.839 1.00 5.09 H new ATOM 221 N PRO A 16 -34.397 2.228 -7.274 1.00 3.83 N ATOM 222 CA PRO A 16 -35.601 3.030 -7.051 1.00 3.69 C ATOM 223 C PRO A 16 -36.787 2.176 -6.599 1.00 3.43 C ATOM 224 O PRO A 16 -37.633 1.782 -7.404 1.00 3.52 O ATOM 225 CB PRO A 16 -35.875 3.655 -8.421 1.00 4.05 C ATOM 226 CG PRO A 16 -35.260 2.719 -9.399 1.00 4.25 C ATOM 227 CD PRO A 16 -34.072 2.108 -8.707 1.00 4.22 C ATOM 0 HA PRO A 16 -35.462 3.765 -6.259 1.00 3.69 H new ATOM 0 HB2 PRO A 16 -36.945 3.765 -8.598 1.00 4.05 H new ATOM 0 HB3 PRO A 16 -35.436 4.650 -8.496 1.00 4.05 H new ATOM 0 HG2 PRO A 16 -35.971 1.951 -9.702 1.00 4.25 H new ATOM 0 HG3 PRO A 16 -34.955 3.246 -10.303 1.00 4.25 H new ATOM 0 HD2 PRO A 16 -33.931 1.067 -8.999 1.00 4.22 H new ATOM 0 HD3 PRO A 16 -33.151 2.636 -8.953 1.00 4.22 H new ATOM 235 N LEU A 17 -36.840 1.878 -5.305 1.00 3.19 N ATOM 236 CA LEU A 17 -37.931 1.091 -4.740 1.00 3.02 C ATOM 237 C LEU A 17 -39.221 1.904 -4.645 1.00 3.04 C ATOM 238 O LEU A 17 -39.655 2.249 -3.551 1.00 2.93 O ATOM 239 CB LEU A 17 -37.567 0.560 -3.333 1.00 2.86 C ATOM 240 CG LEU A 17 -36.754 -0.740 -3.281 1.00 2.99 C ATOM 241 CD1 LEU A 17 -37.505 -1.867 -3.962 1.00 3.21 C ATOM 242 CD2 LEU A 17 -35.381 -0.565 -3.904 1.00 3.29 C ATOM 0 H LEU A 17 -36.138 2.171 -4.626 1.00 3.19 H new ATOM 0 HA LEU A 17 -38.091 0.250 -5.415 1.00 3.02 H new ATOM 0 HB2 LEU A 17 -37.005 1.335 -2.811 1.00 2.86 H new ATOM 0 HB3 LEU A 17 -38.492 0.407 -2.777 1.00 2.86 H new ATOM 0 HG LEU A 17 -36.612 -0.997 -2.231 1.00 2.99 H new ATOM 0 HD11 LEU A 17 -36.912 -2.780 -3.915 1.00 3.21 H new ATOM 0 HD12 LEU A 17 -38.458 -2.026 -3.457 1.00 3.21 H new ATOM 0 HD13 LEU A 17 -37.686 -1.606 -5.005 1.00 3.21 H new ATOM 0 HD21 LEU A 17 -34.834 -1.506 -3.849 1.00 3.29 H new ATOM 0 HD22 LEU A 17 -35.490 -0.269 -4.947 1.00 3.29 H new ATOM 0 HD23 LEU A 17 -34.832 0.206 -3.364 1.00 3.29 H new ATOM 254 N GLU A 18 -39.847 2.233 -5.771 1.00 3.30 N ATOM 255 CA GLU A 18 -41.164 2.849 -5.710 1.00 3.51 C ATOM 256 C GLU A 18 -42.124 1.951 -4.937 1.00 3.51 C ATOM 257 O GLU A 18 -43.115 2.419 -4.385 1.00 3.70 O ATOM 258 CB GLU A 18 -41.739 3.149 -7.082 1.00 3.90 C ATOM 259 CG GLU A 18 -42.690 4.329 -7.034 1.00 4.24 C ATOM 260 CD GLU A 18 -43.606 4.413 -8.229 1.00 4.90 C ATOM 261 OE1 GLU A 18 -43.127 4.805 -9.311 1.00 5.09 O ATOM 262 OE2 GLU A 18 -44.792 4.070 -8.102 1.00 5.48 O ATOM 0 H GLU A 18 -39.476 2.088 -6.710 1.00 3.30 H new ATOM 0 HA GLU A 18 -41.043 3.803 -5.196 1.00 3.51 H new ATOM 0 HB2 GLU A 18 -40.929 3.360 -7.780 1.00 3.90 H new ATOM 0 HB3 GLU A 18 -42.264 2.271 -7.459 1.00 3.90 H new ATOM 0 HG2 GLU A 18 -43.293 4.263 -6.128 1.00 4.24 H new ATOM 0 HG3 GLU A 18 -42.111 5.250 -6.965 1.00 4.24 H new ATOM 269 N ALA A 19 -41.815 0.654 -4.904 1.00 3.41 N ATOM 270 CA ALA A 19 -42.540 -0.290 -4.066 1.00 3.49 C ATOM 271 C ALA A 19 -42.453 0.140 -2.608 1.00 3.32 C ATOM 272 O ALA A 19 -43.360 -0.114 -1.828 1.00 3.54 O ATOM 273 CB ALA A 19 -41.986 -1.694 -4.245 1.00 3.45 C ATOM 0 H ALA A 19 -41.063 0.236 -5.452 1.00 3.41 H new ATOM 0 HA ALA A 19 -43.588 -0.298 -4.367 1.00 3.49 H new ATOM 0 HB1 ALA A 19 -42.539 -2.387 -3.611 1.00 3.45 H new ATOM 0 HB2 ALA A 19 -42.088 -1.995 -5.288 1.00 3.45 H new ATOM 0 HB3 ALA A 19 -40.933 -1.708 -3.965 1.00 3.45 H new ATOM 279 N CYS A 20 -41.357 0.806 -2.257 1.00 3.03 N ATOM 280 CA CYS A 20 -41.189 1.375 -0.924 1.00 2.94 C ATOM 281 C CYS A 20 -42.142 2.533 -0.752 1.00 3.13 C ATOM 282 O CYS A 20 -42.785 2.663 0.278 1.00 3.27 O ATOM 283 CB CYS A 20 -39.764 1.878 -0.693 1.00 2.73 C ATOM 284 SG CYS A 20 -39.454 2.422 1.002 1.00 2.75 S ATOM 0 H CYS A 20 -40.567 0.966 -2.882 1.00 3.03 H new ATOM 0 HA CYS A 20 -41.396 0.587 -0.200 1.00 2.94 H new ATOM 0 HB2 CYS A 20 -39.062 1.083 -0.945 1.00 2.73 H new ATOM 0 HB3 CYS A 20 -39.565 2.706 -1.373 1.00 2.73 H new ATOM 0 HG CYS A 20 -39.925 3.623 1.165 1.00 2.75 H new ATOM 290 N ARG A 21 -42.215 3.381 -1.767 1.00 3.24 N ATOM 291 CA ARG A 21 -43.179 4.478 -1.777 1.00 3.55 C ATOM 292 C ARG A 21 -44.594 3.933 -1.534 1.00 3.89 C ATOM 293 O ARG A 21 -45.317 4.402 -0.644 1.00 4.07 O ATOM 294 CB ARG A 21 -43.081 5.248 -3.105 1.00 3.75 C ATOM 295 CG ARG A 21 -44.342 6.012 -3.475 1.00 4.17 C ATOM 296 CD ARG A 21 -44.144 6.910 -4.687 1.00 4.74 C ATOM 297 NE ARG A 21 -43.236 8.025 -4.434 1.00 5.08 N ATOM 298 CZ ARG A 21 -42.318 8.454 -5.298 1.00 5.56 C ATOM 299 NH1 ARG A 21 -42.088 7.795 -6.422 1.00 5.80 N ATOM 300 NH2 ARG A 21 -41.632 9.555 -5.031 1.00 6.10 N ATOM 0 H ARG A 21 -41.621 3.333 -2.594 1.00 3.24 H new ATOM 0 HA ARG A 21 -42.951 5.176 -0.972 1.00 3.55 H new ATOM 0 HB2 ARG A 21 -42.249 5.949 -3.045 1.00 3.75 H new ATOM 0 HB3 ARG A 21 -42.848 4.544 -3.904 1.00 3.75 H new ATOM 0 HG2 ARG A 21 -45.145 5.304 -3.679 1.00 4.17 H new ATOM 0 HG3 ARG A 21 -44.658 6.618 -2.626 1.00 4.17 H new ATOM 0 HD2 ARG A 21 -43.756 6.314 -5.513 1.00 4.74 H new ATOM 0 HD3 ARG A 21 -45.111 7.302 -5.003 1.00 4.74 H new ATOM 0 HE ARG A 21 -43.310 8.506 -3.538 1.00 5.08 H new ATOM 0 HH11 ARG A 21 -42.616 6.949 -6.634 1.00 5.80 H new ATOM 0 HH12 ARG A 21 -41.382 8.133 -7.076 1.00 5.80 H new ATOM 0 HH21 ARG A 21 -41.808 10.069 -4.168 1.00 6.10 H new ATOM 0 HH22 ARG A 21 -40.927 9.889 -5.689 1.00 6.10 H new ATOM 314 N LYS A 22 -44.953 2.902 -2.295 1.00 4.03 N ATOM 315 CA LYS A 22 -46.239 2.229 -2.138 1.00 4.43 C ATOM 316 C LYS A 22 -46.341 1.605 -0.743 1.00 4.38 C ATOM 317 O LYS A 22 -47.390 1.653 -0.101 1.00 4.73 O ATOM 318 CB LYS A 22 -46.396 1.128 -3.191 1.00 4.63 C ATOM 319 CG LYS A 22 -46.012 1.549 -4.596 1.00 4.60 C ATOM 320 CD LYS A 22 -45.947 0.344 -5.516 1.00 4.73 C ATOM 321 CE LYS A 22 -44.976 0.562 -6.664 1.00 4.49 C ATOM 322 NZ LYS A 22 -45.473 1.539 -7.671 1.00 4.77 N ATOM 0 H LYS A 22 -44.366 2.512 -3.032 1.00 4.03 H new ATOM 0 HA LYS A 22 -47.030 2.968 -2.267 1.00 4.43 H new ATOM 0 HB2 LYS A 22 -45.785 0.274 -2.900 1.00 4.63 H new ATOM 0 HB3 LYS A 22 -47.433 0.791 -3.196 1.00 4.63 H new ATOM 0 HG2 LYS A 22 -46.739 2.266 -4.978 1.00 4.60 H new ATOM 0 HG3 LYS A 22 -45.046 2.053 -4.579 1.00 4.60 H new ATOM 0 HD2 LYS A 22 -45.643 -0.533 -4.945 1.00 4.73 H new ATOM 0 HD3 LYS A 22 -46.940 0.137 -5.914 1.00 4.73 H new ATOM 0 HE2 LYS A 22 -44.024 0.913 -6.265 1.00 4.49 H new ATOM 0 HE3 LYS A 22 -44.784 -0.392 -7.156 1.00 4.49 H new ATOM 0 HZ1 LYS A 22 -45.064 1.317 -8.601 1.00 4.77 H new ATOM 0 HZ2 LYS A 22 -46.510 1.483 -7.726 1.00 4.77 H new ATOM 0 HZ3 LYS A 22 -45.193 2.500 -7.390 1.00 4.77 H new ATOM 336 N ALA A 23 -45.231 1.021 -0.297 1.00 4.00 N ATOM 337 CA ALA A 23 -45.149 0.347 0.996 1.00 4.00 C ATOM 338 C ALA A 23 -45.327 1.317 2.146 1.00 4.05 C ATOM 339 O ALA A 23 -46.007 1.014 3.111 1.00 4.34 O ATOM 340 CB ALA A 23 -43.813 -0.362 1.137 1.00 3.66 C ATOM 0 H ALA A 23 -44.359 1.002 -0.826 1.00 4.00 H new ATOM 0 HA ALA A 23 -45.959 -0.382 1.034 1.00 4.00 H new ATOM 0 HB1 ALA A 23 -43.766 -0.860 2.105 1.00 3.66 H new ATOM 0 HB2 ALA A 23 -43.708 -1.102 0.343 1.00 3.66 H new ATOM 0 HB3 ALA A 23 -43.005 0.366 1.064 1.00 3.66 H new ATOM 346 N VAL A 24 -44.692 2.472 2.054 1.00 3.82 N ATOM 347 CA VAL A 24 -44.820 3.490 3.083 1.00 3.90 C ATOM 348 C VAL A 24 -46.287 3.851 3.291 1.00 4.37 C ATOM 349 O VAL A 24 -46.772 3.887 4.422 1.00 4.58 O ATOM 350 CB VAL A 24 -44.012 4.764 2.737 1.00 3.69 C ATOM 351 CG1 VAL A 24 -44.289 5.886 3.726 1.00 3.86 C ATOM 352 CG2 VAL A 24 -42.525 4.459 2.703 1.00 3.33 C ATOM 0 H VAL A 24 -44.082 2.729 1.278 1.00 3.82 H new ATOM 0 HA VAL A 24 -44.412 3.074 4.004 1.00 3.90 H new ATOM 0 HB VAL A 24 -44.331 5.096 1.749 1.00 3.69 H new ATOM 0 HG11 VAL A 24 -43.705 6.765 3.452 1.00 3.86 H new ATOM 0 HG12 VAL A 24 -45.350 6.135 3.706 1.00 3.86 H new ATOM 0 HG13 VAL A 24 -44.011 5.564 4.729 1.00 3.86 H new ATOM 0 HG21 VAL A 24 -41.973 5.366 2.458 1.00 3.33 H new ATOM 0 HG22 VAL A 24 -42.206 4.093 3.679 1.00 3.33 H new ATOM 0 HG23 VAL A 24 -42.327 3.699 1.948 1.00 3.33 H new ATOM 362 N TYR A 25 -46.999 4.080 2.193 1.00 4.58 N ATOM 363 CA TYR A 25 -48.424 4.371 2.274 1.00 5.10 C ATOM 364 C TYR A 25 -49.194 3.145 2.773 1.00 5.36 C ATOM 365 O TYR A 25 -50.150 3.267 3.540 1.00 5.71 O ATOM 366 CB TYR A 25 -48.957 4.821 0.909 1.00 5.32 C ATOM 367 CG TYR A 25 -50.399 5.279 0.939 1.00 5.87 C ATOM 368 CD1 TYR A 25 -50.761 6.436 1.614 1.00 6.18 C ATOM 369 CD2 TYR A 25 -51.392 4.562 0.286 1.00 6.12 C ATOM 370 CE1 TYR A 25 -52.070 6.867 1.641 1.00 6.71 C ATOM 371 CE2 TYR A 25 -52.706 4.990 0.304 1.00 6.65 C ATOM 372 CZ TYR A 25 -53.038 6.143 0.985 1.00 6.94 C ATOM 373 OH TYR A 25 -54.344 6.585 1.002 1.00 7.48 O ATOM 0 H TYR A 25 -46.618 4.070 1.247 1.00 4.58 H new ATOM 0 HA TYR A 25 -48.571 5.183 2.986 1.00 5.10 H new ATOM 0 HB2 TYR A 25 -48.335 5.634 0.536 1.00 5.32 H new ATOM 0 HB3 TYR A 25 -48.862 3.997 0.202 1.00 5.32 H new ATOM 0 HD1 TYR A 25 -50.003 7.009 2.128 1.00 6.18 H new ATOM 0 HD2 TYR A 25 -51.134 3.657 -0.244 1.00 6.12 H new ATOM 0 HE1 TYR A 25 -52.334 7.768 2.174 1.00 6.71 H new ATOM 0 HE2 TYR A 25 -53.468 4.425 -0.212 1.00 6.65 H new ATOM 0 HH TYR A 25 -54.906 5.965 0.492 1.00 7.48 H new ATOM 383 N PHE A 26 -48.754 1.964 2.352 1.00 5.24 N ATOM 384 CA PHE A 26 -49.410 0.714 2.728 1.00 5.55 C ATOM 385 C PHE A 26 -49.215 0.412 4.213 1.00 5.56 C ATOM 386 O PHE A 26 -50.165 0.047 4.906 1.00 5.98 O ATOM 387 CB PHE A 26 -48.871 -0.446 1.883 1.00 5.42 C ATOM 388 CG PHE A 26 -49.598 -1.744 2.104 1.00 5.81 C ATOM 389 CD1 PHE A 26 -50.764 -2.028 1.413 1.00 6.32 C ATOM 390 CD2 PHE A 26 -49.112 -2.679 3.004 1.00 5.81 C ATOM 391 CE1 PHE A 26 -51.432 -3.221 1.613 1.00 6.79 C ATOM 392 CE2 PHE A 26 -49.776 -3.873 3.208 1.00 6.37 C ATOM 393 CZ PHE A 26 -50.943 -4.141 2.511 1.00 6.84 C ATOM 0 H PHE A 26 -47.942 1.845 1.747 1.00 5.24 H new ATOM 0 HA PHE A 26 -50.478 0.828 2.540 1.00 5.55 H new ATOM 0 HB2 PHE A 26 -48.938 -0.177 0.829 1.00 5.42 H new ATOM 0 HB3 PHE A 26 -47.814 -0.588 2.109 1.00 5.42 H new ATOM 0 HD1 PHE A 26 -51.156 -1.308 0.709 1.00 6.32 H new ATOM 0 HD2 PHE A 26 -48.204 -2.472 3.552 1.00 5.81 H new ATOM 0 HE1 PHE A 26 -52.338 -3.431 1.064 1.00 6.79 H new ATOM 0 HE2 PHE A 26 -49.386 -4.596 3.909 1.00 6.37 H new ATOM 0 HZ PHE A 26 -51.468 -5.071 2.673 1.00 6.84 H new ATOM 403 N THR A 27 -47.984 0.565 4.694 1.00 5.14 N ATOM 404 CA THR A 27 -47.650 0.274 6.084 1.00 5.20 C ATOM 405 C THR A 27 -48.424 1.182 7.035 1.00 5.47 C ATOM 406 O THR A 27 -48.696 0.822 8.180 1.00 5.71 O ATOM 407 CB THR A 27 -46.141 0.432 6.363 1.00 4.75 C ATOM 408 OG1 THR A 27 -45.681 1.708 5.901 1.00 4.44 O ATOM 409 CG2 THR A 27 -45.345 -0.666 5.683 1.00 4.59 C ATOM 0 H THR A 27 -47.196 0.892 4.135 1.00 5.14 H new ATOM 0 HA THR A 27 -47.930 -0.765 6.256 1.00 5.20 H new ATOM 0 HB THR A 27 -45.991 0.359 7.440 1.00 4.75 H new ATOM 0 HG1 THR A 27 -45.667 1.715 4.921 1.00 4.44 H new ATOM 0 HG21 THR A 27 -44.284 -0.531 5.896 1.00 4.59 H new ATOM 0 HG22 THR A 27 -45.670 -1.637 6.058 1.00 4.59 H new ATOM 0 HG23 THR A 27 -45.508 -0.620 4.606 1.00 4.59 H new ATOM 417 N GLY A 28 -48.780 2.360 6.542 1.00 5.48 N ATOM 418 CA GLY A 28 -49.475 3.329 7.359 1.00 5.75 C ATOM 419 C GLY A 28 -48.554 4.439 7.808 1.00 5.44 C ATOM 420 O GLY A 28 -48.766 5.038 8.865 1.00 5.64 O ATOM 0 H GLY A 28 -48.598 2.661 5.585 1.00 5.48 H new ATOM 0 HA2 GLY A 28 -50.307 3.751 6.796 1.00 5.75 H new ATOM 0 HA3 GLY A 28 -49.900 2.833 8.231 1.00 5.75 H new ATOM 424 N ASN A 29 -47.529 4.704 6.998 1.00 5.01 N ATOM 425 CA ASN A 29 -46.541 5.739 7.290 1.00 4.73 C ATOM 426 C ASN A 29 -45.854 5.441 8.614 1.00 4.74 C ATOM 427 O ASN A 29 -45.783 6.292 9.499 1.00 4.97 O ATOM 428 CB ASN A 29 -47.200 7.124 7.333 1.00 4.95 C ATOM 429 CG ASN A 29 -48.026 7.419 6.094 1.00 4.86 C ATOM 430 OD1 ASN A 29 -47.714 6.964 4.995 1.00 4.99 O ATOM 431 ND2 ASN A 29 -49.090 8.188 6.267 1.00 5.06 N ATOM 0 H ASN A 29 -47.362 4.207 6.123 1.00 5.01 H new ATOM 0 HA ASN A 29 -45.796 5.741 6.495 1.00 4.73 H new ATOM 0 HB2 ASN A 29 -47.838 7.191 8.214 1.00 4.95 H new ATOM 0 HB3 ASN A 29 -46.428 7.886 7.440 1.00 4.95 H new ATOM 0 HD21 ASN A 29 -49.685 8.422 5.472 1.00 5.06 H new ATOM 0 HD22 ASN A 29 -49.315 8.546 7.195 1.00 5.06 H new ATOM 438 N MET A 30 -45.359 4.217 8.745 1.00 4.58 N ATOM 439 CA MET A 30 -44.774 3.759 9.998 1.00 4.71 C ATOM 440 C MET A 30 -43.331 4.229 10.164 1.00 4.46 C ATOM 441 O MET A 30 -42.896 4.526 11.278 1.00 4.65 O ATOM 442 CB MET A 30 -44.856 2.235 10.097 1.00 4.89 C ATOM 443 CG MET A 30 -46.262 1.725 10.374 1.00 5.35 C ATOM 444 SD MET A 30 -46.321 -0.056 10.659 1.00 5.80 S ATOM 445 CE MET A 30 -45.310 -0.206 12.133 1.00 6.28 C ATOM 0 H MET A 30 -45.351 3.523 7.998 1.00 4.58 H new ATOM 0 HA MET A 30 -45.353 4.201 10.809 1.00 4.71 H new ATOM 0 HB2 MET A 30 -44.495 1.797 9.166 1.00 4.89 H new ATOM 0 HB3 MET A 30 -44.190 1.893 10.889 1.00 4.89 H new ATOM 0 HG2 MET A 30 -46.665 2.241 11.246 1.00 5.35 H new ATOM 0 HG3 MET A 30 -46.906 1.974 9.531 1.00 5.35 H new ATOM 0 HE1 MET A 30 -45.651 -1.056 12.723 1.00 6.28 H new ATOM 0 HE2 MET A 30 -44.269 -0.358 11.847 1.00 6.28 H new ATOM 0 HE3 MET A 30 -45.394 0.705 12.726 1.00 6.28 H new ATOM 455 N GLY A 31 -42.588 4.297 9.069 1.00 4.17 N ATOM 456 CA GLY A 31 -41.226 4.787 9.146 1.00 4.03 C ATOM 457 C GLY A 31 -40.315 4.189 8.096 1.00 3.77 C ATOM 458 O GLY A 31 -40.688 3.232 7.408 1.00 3.68 O ATOM 0 H GLY A 31 -42.899 4.025 8.137 1.00 4.17 H new ATOM 0 HA2 GLY A 31 -41.231 5.872 9.038 1.00 4.03 H new ATOM 0 HA3 GLY A 31 -40.823 4.567 10.135 1.00 4.03 H new ATOM 462 N ALA A 32 -39.118 4.754 7.982 1.00 3.73 N ATOM 463 CA ALA A 32 -38.130 4.308 7.010 1.00 3.58 C ATOM 464 C ALA A 32 -37.692 2.872 7.270 1.00 3.72 C ATOM 465 O ALA A 32 -37.551 2.085 6.336 1.00 3.56 O ATOM 466 CB ALA A 32 -36.926 5.235 7.027 1.00 3.73 C ATOM 0 H ALA A 32 -38.807 5.534 8.561 1.00 3.73 H new ATOM 0 HA ALA A 32 -38.595 4.338 6.025 1.00 3.58 H new ATOM 0 HB1 ALA A 32 -36.193 4.893 6.297 1.00 3.73 H new ATOM 0 HB2 ALA A 32 -37.243 6.247 6.776 1.00 3.73 H new ATOM 0 HB3 ALA A 32 -36.478 5.231 8.020 1.00 3.73 H new ATOM 472 N GLU A 33 -37.496 2.532 8.539 1.00 4.10 N ATOM 473 CA GLU A 33 -37.043 1.196 8.911 1.00 4.38 C ATOM 474 C GLU A 33 -38.126 0.173 8.607 1.00 4.28 C ATOM 475 O GLU A 33 -37.849 -0.923 8.123 1.00 4.30 O ATOM 476 CB GLU A 33 -36.705 1.136 10.399 1.00 4.91 C ATOM 477 CG GLU A 33 -35.675 2.155 10.848 1.00 5.11 C ATOM 478 CD GLU A 33 -35.414 2.069 12.332 1.00 5.12 C ATOM 479 OE1 GLU A 33 -36.201 2.638 13.116 1.00 5.46 O ATOM 480 OE2 GLU A 33 -34.432 1.412 12.731 1.00 5.09 O ATOM 0 H GLU A 33 -37.643 3.162 9.327 1.00 4.10 H new ATOM 0 HA GLU A 33 -36.148 0.969 8.331 1.00 4.38 H new ATOM 0 HB2 GLU A 33 -37.619 1.284 10.973 1.00 4.91 H new ATOM 0 HB3 GLU A 33 -36.338 0.137 10.636 1.00 4.91 H new ATOM 0 HG2 GLU A 33 -34.744 1.994 10.305 1.00 5.11 H new ATOM 0 HG3 GLU A 33 -36.022 3.157 10.597 1.00 5.11 H new ATOM 487 N VAL A 34 -39.362 0.556 8.886 1.00 4.27 N ATOM 488 CA VAL A 34 -40.502 -0.319 8.681 1.00 4.34 C ATOM 489 C VAL A 34 -40.680 -0.638 7.200 1.00 4.01 C ATOM 490 O VAL A 34 -40.943 -1.780 6.827 1.00 4.11 O ATOM 491 CB VAL A 34 -41.788 0.316 9.246 1.00 4.54 C ATOM 492 CG1 VAL A 34 -42.995 -0.565 8.979 1.00 4.83 C ATOM 493 CG2 VAL A 34 -41.635 0.583 10.736 1.00 4.88 C ATOM 0 H VAL A 34 -39.601 1.475 9.258 1.00 4.27 H new ATOM 0 HA VAL A 34 -40.311 -1.249 9.216 1.00 4.34 H new ATOM 0 HB VAL A 34 -41.951 1.266 8.738 1.00 4.54 H new ATOM 0 HG11 VAL A 34 -43.888 -0.093 9.388 1.00 4.83 H new ATOM 0 HG12 VAL A 34 -43.116 -0.700 7.904 1.00 4.83 H new ATOM 0 HG13 VAL A 34 -42.849 -1.536 9.452 1.00 4.83 H new ATOM 0 HG21 VAL A 34 -42.551 1.031 11.121 1.00 4.88 H new ATOM 0 HG22 VAL A 34 -41.444 -0.356 11.256 1.00 4.88 H new ATOM 0 HG23 VAL A 34 -40.800 1.265 10.900 1.00 4.88 H new ATOM 503 N ALA A 35 -40.509 0.367 6.356 1.00 3.68 N ATOM 504 CA ALA A 35 -40.621 0.163 4.922 1.00 3.42 C ATOM 505 C ALA A 35 -39.377 -0.515 4.366 1.00 3.28 C ATOM 506 O ALA A 35 -39.462 -1.288 3.414 1.00 3.21 O ATOM 507 CB ALA A 35 -40.885 1.471 4.208 1.00 3.22 C ATOM 0 H ALA A 35 -40.294 1.324 6.636 1.00 3.68 H new ATOM 0 HA ALA A 35 -41.470 -0.497 4.745 1.00 3.42 H new ATOM 0 HB1 ALA A 35 -40.965 1.291 3.136 1.00 3.22 H new ATOM 0 HB2 ALA A 35 -41.816 1.903 4.573 1.00 3.22 H new ATOM 0 HB3 ALA A 35 -40.064 2.162 4.400 1.00 3.22 H new ATOM 513 N PHE A 36 -38.221 -0.225 4.960 1.00 3.36 N ATOM 514 CA PHE A 36 -36.990 -0.932 4.624 1.00 3.45 C ATOM 515 C PHE A 36 -37.209 -2.430 4.802 1.00 3.68 C ATOM 516 O PHE A 36 -36.839 -3.234 3.946 1.00 3.69 O ATOM 517 CB PHE A 36 -35.835 -0.450 5.511 1.00 3.70 C ATOM 518 CG PHE A 36 -34.564 -1.246 5.360 1.00 3.98 C ATOM 519 CD1 PHE A 36 -33.683 -0.980 4.325 1.00 3.93 C ATOM 520 CD2 PHE A 36 -34.249 -2.258 6.256 1.00 4.38 C ATOM 521 CE1 PHE A 36 -32.514 -1.704 4.184 1.00 4.29 C ATOM 522 CE2 PHE A 36 -33.079 -2.984 6.121 1.00 4.71 C ATOM 523 CZ PHE A 36 -32.211 -2.706 5.083 1.00 4.66 C ATOM 0 H PHE A 36 -38.113 0.494 5.675 1.00 3.36 H new ATOM 0 HA PHE A 36 -36.727 -0.726 3.586 1.00 3.45 H new ATOM 0 HB2 PHE A 36 -35.626 0.594 5.279 1.00 3.70 H new ATOM 0 HB3 PHE A 36 -36.152 -0.488 6.553 1.00 3.70 H new ATOM 0 HD1 PHE A 36 -33.913 -0.196 3.618 1.00 3.93 H new ATOM 0 HD2 PHE A 36 -34.925 -2.481 7.068 1.00 4.38 H new ATOM 0 HE1 PHE A 36 -31.838 -1.486 3.371 1.00 4.29 H new ATOM 0 HE2 PHE A 36 -32.845 -3.767 6.827 1.00 4.71 H new ATOM 0 HZ PHE A 36 -31.297 -3.272 4.975 1.00 4.66 H new ATOM 533 N ASN A 37 -37.849 -2.788 5.913 1.00 3.94 N ATOM 534 CA ASN A 37 -38.176 -4.180 6.200 1.00 4.25 C ATOM 535 C ASN A 37 -39.226 -4.697 5.223 1.00 4.16 C ATOM 536 O ASN A 37 -39.187 -5.851 4.810 1.00 4.35 O ATOM 537 CB ASN A 37 -38.679 -4.329 7.640 1.00 4.57 C ATOM 538 CG ASN A 37 -38.911 -5.781 8.040 1.00 5.25 C ATOM 539 OD1 ASN A 37 -37.995 -6.457 8.512 1.00 5.69 O ATOM 540 ND2 ASN A 37 -40.134 -6.268 7.873 1.00 5.66 N ATOM 0 H ASN A 37 -38.152 -2.130 6.631 1.00 3.94 H new ATOM 0 HA ASN A 37 -37.269 -4.773 6.083 1.00 4.25 H new ATOM 0 HB2 ASN A 37 -37.955 -3.881 8.321 1.00 4.57 H new ATOM 0 HB3 ASN A 37 -39.610 -3.773 7.754 1.00 4.57 H new ATOM 0 HD21 ASN A 37 -40.340 -7.231 8.139 1.00 5.66 H new ATOM 0 HD22 ASN A 37 -40.868 -5.679 7.479 1.00 5.66 H new ATOM 547 N TRP A 38 -40.158 -3.835 4.837 1.00 3.97 N ATOM 548 CA TRP A 38 -41.206 -4.230 3.907 1.00 4.01 C ATOM 549 C TRP A 38 -40.595 -4.556 2.543 1.00 3.81 C ATOM 550 O TRP A 38 -41.074 -5.435 1.825 1.00 4.02 O ATOM 551 CB TRP A 38 -42.265 -3.125 3.770 1.00 3.96 C ATOM 552 CG TRP A 38 -43.592 -3.642 3.303 1.00 4.29 C ATOM 553 CD1 TRP A 38 -44.126 -3.524 2.053 1.00 4.58 C ATOM 554 CD2 TRP A 38 -44.548 -4.374 4.079 1.00 4.67 C ATOM 555 NE1 TRP A 38 -45.359 -4.124 2.007 1.00 4.88 N ATOM 556 CE2 TRP A 38 -45.641 -4.656 3.237 1.00 4.93 C ATOM 557 CE3 TRP A 38 -44.591 -4.815 5.404 1.00 5.14 C ATOM 558 CZ2 TRP A 38 -46.758 -5.362 3.675 1.00 5.44 C ATOM 559 CZ3 TRP A 38 -45.701 -5.515 5.838 1.00 5.81 C ATOM 560 CH2 TRP A 38 -46.772 -5.781 4.976 1.00 5.87 C ATOM 0 H TRP A 38 -40.209 -2.866 5.151 1.00 3.97 H new ATOM 0 HA TRP A 38 -41.699 -5.120 4.299 1.00 4.01 H new ATOM 0 HB2 TRP A 38 -42.392 -2.630 4.733 1.00 3.96 H new ATOM 0 HB3 TRP A 38 -41.907 -2.371 3.069 1.00 3.96 H new ATOM 0 HD1 TRP A 38 -43.647 -3.030 1.220 1.00 4.58 H new ATOM 0 HE1 TRP A 38 -45.967 -4.167 1.189 1.00 4.88 H new ATOM 0 HE3 TRP A 38 -43.771 -4.612 6.077 1.00 5.14 H new ATOM 0 HZ2 TRP A 38 -47.584 -5.571 3.011 1.00 5.44 H new ATOM 0 HZ3 TRP A 38 -45.743 -5.863 6.860 1.00 5.81 H new ATOM 0 HH2 TRP A 38 -47.626 -6.328 5.347 1.00 5.87 H new ATOM 571 N ILE A 39 -39.522 -3.848 2.204 1.00 3.49 N ATOM 572 CA ILE A 39 -38.835 -4.051 0.938 1.00 3.34 C ATOM 573 C ILE A 39 -37.961 -5.303 0.953 1.00 3.60 C ATOM 574 O ILE A 39 -37.891 -6.009 -0.046 1.00 3.69 O ATOM 575 CB ILE A 39 -38.014 -2.801 0.531 1.00 3.04 C ATOM 576 CG1 ILE A 39 -38.862 -1.911 -0.380 1.00 2.98 C ATOM 577 CG2 ILE A 39 -36.706 -3.175 -0.162 1.00 3.21 C ATOM 578 CD1 ILE A 39 -40.182 -1.505 0.231 1.00 3.10 C ATOM 0 H ILE A 39 -39.109 -3.125 2.794 1.00 3.49 H new ATOM 0 HA ILE A 39 -39.605 -4.205 0.183 1.00 3.34 H new ATOM 0 HB ILE A 39 -37.752 -2.259 1.439 1.00 3.04 H new ATOM 0 HG12 ILE A 39 -38.295 -1.014 -0.628 1.00 2.98 H new ATOM 0 HG13 ILE A 39 -39.051 -2.438 -1.315 1.00 2.98 H new ATOM 0 HG21 ILE A 39 -36.164 -2.268 -0.429 1.00 3.21 H new ATOM 0 HG22 ILE A 39 -36.096 -3.777 0.512 1.00 3.21 H new ATOM 0 HG23 ILE A 39 -36.923 -3.747 -1.064 1.00 3.21 H new ATOM 0 HD11 ILE A 39 -40.729 -0.876 -0.471 1.00 3.10 H new ATOM 0 HD12 ILE A 39 -40.769 -2.396 0.454 1.00 3.10 H new ATOM 0 HD13 ILE A 39 -40.001 -0.950 1.152 1.00 3.10 H new ATOM 590 N ILE A 40 -37.306 -5.595 2.072 1.00 3.82 N ATOM 591 CA ILE A 40 -36.491 -6.807 2.148 1.00 4.18 C ATOM 592 C ILE A 40 -37.375 -8.036 1.998 1.00 4.46 C ATOM 593 O ILE A 40 -36.956 -9.072 1.493 1.00 4.72 O ATOM 594 CB ILE A 40 -35.648 -6.873 3.433 1.00 4.46 C ATOM 595 CG1 ILE A 40 -36.492 -7.001 4.705 1.00 4.61 C ATOM 596 CG2 ILE A 40 -34.780 -5.642 3.511 1.00 4.32 C ATOM 597 CD1 ILE A 40 -36.815 -8.431 5.087 1.00 5.04 C ATOM 0 H ILE A 40 -37.320 -5.027 2.919 1.00 3.82 H new ATOM 0 HA ILE A 40 -35.780 -6.780 1.323 1.00 4.18 H new ATOM 0 HB ILE A 40 -35.039 -7.775 3.379 1.00 4.46 H new ATOM 0 HG12 ILE A 40 -35.962 -6.526 5.530 1.00 4.61 H new ATOM 0 HG13 ILE A 40 -37.424 -6.453 4.567 1.00 4.61 H new ATOM 0 HG21 ILE A 40 -34.178 -5.678 4.419 1.00 4.32 H new ATOM 0 HG22 ILE A 40 -34.124 -5.604 2.641 1.00 4.32 H new ATOM 0 HG23 ILE A 40 -35.410 -4.753 3.529 1.00 4.32 H new ATOM 0 HD11 ILE A 40 -37.415 -8.438 5.997 1.00 5.04 H new ATOM 0 HD12 ILE A 40 -37.374 -8.906 4.281 1.00 5.04 H new ATOM 0 HD13 ILE A 40 -35.889 -8.980 5.258 1.00 5.04 H new ATOM 609 N VAL A 41 -38.608 -7.899 2.451 1.00 4.47 N ATOM 610 CA VAL A 41 -39.627 -8.910 2.203 1.00 4.80 C ATOM 611 C VAL A 41 -40.016 -8.927 0.721 1.00 4.72 C ATOM 612 O VAL A 41 -39.977 -9.968 0.067 1.00 5.04 O ATOM 613 CB VAL A 41 -40.895 -8.658 3.048 1.00 4.99 C ATOM 614 CG1 VAL A 41 -41.934 -9.740 2.793 1.00 5.34 C ATOM 615 CG2 VAL A 41 -40.556 -8.591 4.528 1.00 5.37 C ATOM 0 H VAL A 41 -38.931 -7.098 2.993 1.00 4.47 H new ATOM 0 HA VAL A 41 -39.200 -9.872 2.487 1.00 4.80 H new ATOM 0 HB VAL A 41 -41.313 -7.697 2.748 1.00 4.99 H new ATOM 0 HG11 VAL A 41 -42.819 -9.544 3.398 1.00 5.34 H new ATOM 0 HG12 VAL A 41 -42.208 -9.740 1.738 1.00 5.34 H new ATOM 0 HG13 VAL A 41 -41.520 -10.712 3.060 1.00 5.34 H new ATOM 0 HG21 VAL A 41 -41.465 -8.413 5.102 1.00 5.37 H new ATOM 0 HG22 VAL A 41 -40.108 -9.534 4.842 1.00 5.37 H new ATOM 0 HG23 VAL A 41 -39.851 -7.778 4.703 1.00 5.37 H new ATOM 625 N HIS A 42 -40.354 -7.754 0.193 1.00 4.36 N ATOM 626 CA HIS A 42 -40.870 -7.637 -1.172 1.00 4.38 C ATOM 627 C HIS A 42 -39.757 -7.544 -2.217 1.00 4.19 C ATOM 628 O HIS A 42 -40.018 -7.197 -3.362 1.00 4.21 O ATOM 629 CB HIS A 42 -41.785 -6.411 -1.302 1.00 4.29 C ATOM 630 CG HIS A 42 -43.168 -6.625 -0.771 1.00 4.59 C ATOM 631 ND1 HIS A 42 -44.303 -6.440 -1.533 1.00 4.88 N ATOM 632 CD2 HIS A 42 -43.599 -7.001 0.455 1.00 5.00 C ATOM 633 CE1 HIS A 42 -45.368 -6.696 -0.798 1.00 5.32 C ATOM 634 NE2 HIS A 42 -44.971 -7.040 0.412 1.00 5.35 N ATOM 0 H HIS A 42 -40.280 -6.866 0.690 1.00 4.36 H new ATOM 0 HA HIS A 42 -41.436 -8.548 -1.364 1.00 4.38 H new ATOM 0 HB2 HIS A 42 -41.330 -5.573 -0.774 1.00 4.29 H new ATOM 0 HB3 HIS A 42 -41.850 -6.129 -2.353 1.00 4.29 H new ATOM 0 HD2 HIS A 42 -42.979 -7.228 1.309 1.00 5.00 H new ATOM 0 HE1 HIS A 42 -46.393 -6.634 -1.131 1.00 5.32 H new ATOM 0 HE2 HIS A 42 -45.583 -7.293 1.188 1.00 5.35 H new ATOM 643 N MET A 43 -38.524 -7.848 -1.834 1.00 4.14 N ATOM 644 CA MET A 43 -37.406 -7.806 -2.777 1.00 4.14 C ATOM 645 C MET A 43 -37.531 -8.907 -3.825 1.00 4.46 C ATOM 646 O MET A 43 -36.953 -8.816 -4.905 1.00 4.53 O ATOM 647 CB MET A 43 -36.057 -7.919 -2.057 1.00 4.26 C ATOM 648 CG MET A 43 -35.832 -9.249 -1.361 1.00 4.64 C ATOM 649 SD MET A 43 -34.205 -9.357 -0.592 1.00 4.92 S ATOM 650 CE MET A 43 -34.340 -10.931 0.252 1.00 5.73 C ATOM 0 H MET A 43 -38.270 -8.125 -0.886 1.00 4.14 H new ATOM 0 HA MET A 43 -37.446 -6.839 -3.278 1.00 4.14 H new ATOM 0 HB2 MET A 43 -35.257 -7.761 -2.781 1.00 4.26 H new ATOM 0 HB3 MET A 43 -35.983 -7.119 -1.320 1.00 4.26 H new ATOM 0 HG2 MET A 43 -36.600 -9.393 -0.601 1.00 4.64 H new ATOM 0 HG3 MET A 43 -35.944 -10.057 -2.084 1.00 4.64 H new ATOM 0 HE1 MET A 43 -33.409 -11.143 0.778 1.00 5.73 H new ATOM 0 HE2 MET A 43 -35.161 -10.891 0.968 1.00 5.73 H new ATOM 0 HE3 MET A 43 -34.533 -11.719 -0.476 1.00 5.73 H new ATOM 1066 N GLN A 76 25.089 -2.077 2.082 1.00 5.05 N ATOM 1067 CA GLN A 76 26.294 -1.945 2.873 1.00 4.93 C ATOM 1068 C GLN A 76 27.084 -3.253 2.851 1.00 4.67 C ATOM 1069 O GLN A 76 26.500 -4.335 2.868 1.00 4.88 O ATOM 1070 CB GLN A 76 25.941 -1.578 4.316 1.00 5.47 C ATOM 1071 CG GLN A 76 27.159 -1.271 5.175 1.00 5.74 C ATOM 1072 CD GLN A 76 26.845 -1.278 6.661 1.00 6.61 C ATOM 1073 OE1 GLN A 76 25.746 -0.924 7.080 1.00 7.14 O ATOM 1074 NE2 GLN A 76 27.810 -1.692 7.466 1.00 7.04 N ATOM 0 HA GLN A 76 26.907 -1.152 2.444 1.00 4.93 H new ATOM 0 HB2 GLN A 76 25.280 -0.711 4.312 1.00 5.47 H new ATOM 0 HB3 GLN A 76 25.385 -2.400 4.767 1.00 5.47 H new ATOM 0 HG2 GLN A 76 27.938 -2.005 4.969 1.00 5.74 H new ATOM 0 HG3 GLN A 76 27.558 -0.296 4.897 1.00 5.74 H new ATOM 0 HE21 GLN A 76 28.709 -1.978 7.079 1.00 7.04 H new ATOM 0 HE22 GLN A 76 27.654 -1.725 8.474 1.00 7.04 H new ATOM 1083 N PRO A 77 28.423 -3.166 2.762 1.00 4.45 N ATOM 1084 CA PRO A 77 29.316 -4.325 2.907 1.00 4.52 C ATOM 1085 C PRO A 77 29.107 -5.048 4.232 1.00 5.11 C ATOM 1086 O PRO A 77 28.512 -4.496 5.156 1.00 5.41 O ATOM 1087 CB PRO A 77 30.705 -3.693 2.892 1.00 4.27 C ATOM 1088 CG PRO A 77 30.538 -2.449 2.120 1.00 4.17 C ATOM 1089 CD PRO A 77 29.178 -1.935 2.479 1.00 4.44 C ATOM 0 HA PRO A 77 29.147 -5.069 2.129 1.00 4.52 H new ATOM 0 HB2 PRO A 77 31.058 -3.488 3.903 1.00 4.27 H new ATOM 0 HB3 PRO A 77 31.436 -4.354 2.426 1.00 4.27 H new ATOM 0 HG2 PRO A 77 31.311 -1.723 2.373 1.00 4.17 H new ATOM 0 HG3 PRO A 77 30.616 -2.638 1.049 1.00 4.17 H new ATOM 0 HD2 PRO A 77 29.212 -1.274 3.345 1.00 4.44 H new ATOM 0 HD3 PRO A 77 28.733 -1.367 1.662 1.00 4.44 H new ATOM 1097 N PRO A 78 29.626 -6.280 4.354 1.00 5.63 N ATOM 1098 CA PRO A 78 29.469 -7.082 5.567 1.00 6.52 C ATOM 1099 C PRO A 78 30.139 -6.415 6.757 1.00 6.80 C ATOM 1100 O PRO A 78 31.363 -6.259 6.787 1.00 6.74 O ATOM 1101 CB PRO A 78 30.165 -8.403 5.219 1.00 7.14 C ATOM 1102 CG PRO A 78 31.122 -8.042 4.143 1.00 6.55 C ATOM 1103 CD PRO A 78 30.443 -6.977 3.345 1.00 5.69 C ATOM 0 HA PRO A 78 28.425 -7.213 5.852 1.00 6.52 H new ATOM 0 HB2 PRO A 78 30.679 -8.822 6.084 1.00 7.14 H new ATOM 0 HB3 PRO A 78 29.450 -9.152 4.880 1.00 7.14 H new ATOM 0 HG2 PRO A 78 32.062 -7.681 4.559 1.00 6.55 H new ATOM 0 HG3 PRO A 78 31.359 -8.906 3.523 1.00 6.55 H new ATOM 0 HD2 PRO A 78 31.161 -6.306 2.873 1.00 5.69 H new ATOM 0 HD3 PRO A 78 29.829 -7.398 2.549 1.00 5.69 H new ATOM 1111 N GLU A 79 29.325 -6.004 7.721 1.00 7.24 N ATOM 1112 CA GLU A 79 29.814 -5.327 8.909 1.00 7.85 C ATOM 1113 C GLU A 79 30.818 -6.200 9.645 1.00 8.62 C ATOM 1114 O GLU A 79 31.709 -5.695 10.319 1.00 8.98 O ATOM 1115 CB GLU A 79 28.653 -4.972 9.828 1.00 8.51 C ATOM 1116 CG GLU A 79 27.979 -6.180 10.440 1.00 9.18 C ATOM 1117 CD GLU A 79 26.709 -5.821 11.178 1.00 9.68 C ATOM 1118 OE1 GLU A 79 26.798 -5.149 12.228 1.00 10.13 O ATOM 1119 OE2 GLU A 79 25.617 -6.201 10.709 1.00 9.76 O ATOM 0 H GLU A 79 28.313 -6.131 7.699 1.00 7.24 H new ATOM 0 HA GLU A 79 30.314 -4.408 8.602 1.00 7.85 H new ATOM 0 HB2 GLU A 79 29.016 -4.325 10.626 1.00 8.51 H new ATOM 0 HB3 GLU A 79 27.915 -4.400 9.265 1.00 8.51 H new ATOM 0 HG2 GLU A 79 27.748 -6.900 9.655 1.00 9.18 H new ATOM 0 HG3 GLU A 79 28.670 -6.668 11.128 1.00 9.18 H new ATOM 1126 N GLU A 80 30.667 -7.512 9.501 1.00 9.00 N ATOM 1127 CA GLU A 80 31.627 -8.458 10.030 1.00 9.80 C ATOM 1128 C GLU A 80 33.007 -8.170 9.459 1.00 9.30 C ATOM 1129 O GLU A 80 33.979 -8.008 10.195 1.00 9.74 O ATOM 1130 CB GLU A 80 31.186 -9.881 9.668 1.00 10.33 C ATOM 1131 CG GLU A 80 32.330 -10.858 9.444 1.00 10.80 C ATOM 1132 CD GLU A 80 31.868 -12.171 8.855 1.00 11.40 C ATOM 1133 OE1 GLU A 80 31.489 -13.080 9.619 1.00 11.78 O ATOM 1134 OE2 GLU A 80 31.875 -12.301 7.612 1.00 11.61 O ATOM 0 H GLU A 80 29.879 -7.942 9.017 1.00 9.00 H new ATOM 0 HA GLU A 80 31.675 -8.363 11.115 1.00 9.80 H new ATOM 0 HB2 GLU A 80 30.549 -10.264 10.465 1.00 10.33 H new ATOM 0 HB3 GLU A 80 30.577 -9.840 8.765 1.00 10.33 H new ATOM 0 HG2 GLU A 80 33.065 -10.405 8.779 1.00 10.80 H new ATOM 0 HG3 GLU A 80 32.832 -11.047 10.393 1.00 10.80 H new ATOM 1141 N ILE A 81 33.076 -8.067 8.144 1.00 8.42 N ATOM 1142 CA ILE A 81 34.342 -7.900 7.469 1.00 7.96 C ATOM 1143 C ILE A 81 34.863 -6.481 7.594 1.00 7.34 C ATOM 1144 O ILE A 81 36.052 -6.286 7.825 1.00 7.45 O ATOM 1145 CB ILE A 81 34.257 -8.286 5.989 1.00 7.44 C ATOM 1146 CG1 ILE A 81 33.994 -9.782 5.856 1.00 8.39 C ATOM 1147 CG2 ILE A 81 35.538 -7.893 5.280 1.00 6.94 C ATOM 1148 CD1 ILE A 81 33.833 -10.236 4.425 1.00 8.28 C ATOM 0 H ILE A 81 32.266 -8.097 7.525 1.00 8.42 H new ATOM 0 HA ILE A 81 35.041 -8.575 7.964 1.00 7.96 H new ATOM 0 HB ILE A 81 33.430 -7.752 5.522 1.00 7.44 H new ATOM 0 HG12 ILE A 81 34.817 -10.331 6.313 1.00 8.39 H new ATOM 0 HG13 ILE A 81 33.093 -10.036 6.414 1.00 8.39 H new ATOM 0 HG21 ILE A 81 35.471 -8.170 4.228 1.00 6.94 H new ATOM 0 HG22 ILE A 81 35.684 -6.816 5.363 1.00 6.94 H new ATOM 0 HG23 ILE A 81 36.381 -8.410 5.739 1.00 6.94 H new ATOM 0 HD11 ILE A 81 33.648 -11.310 4.403 1.00 8.28 H new ATOM 0 HD12 ILE A 81 32.991 -9.714 3.970 1.00 8.28 H new ATOM 0 HD13 ILE A 81 34.743 -10.013 3.868 1.00 8.28 H new ATOM 1160 N VAL A 82 33.984 -5.491 7.452 1.00 6.83 N ATOM 1161 CA VAL A 82 34.401 -4.109 7.605 1.00 6.55 C ATOM 1162 C VAL A 82 35.057 -3.949 8.971 1.00 7.54 C ATOM 1163 O VAL A 82 36.067 -3.263 9.113 1.00 7.57 O ATOM 1164 CB VAL A 82 33.230 -3.103 7.454 1.00 6.32 C ATOM 1165 CG1 VAL A 82 32.457 -3.341 6.168 1.00 5.50 C ATOM 1166 CG2 VAL A 82 32.297 -3.143 8.650 1.00 7.25 C ATOM 0 H VAL A 82 32.996 -5.621 7.235 1.00 6.83 H new ATOM 0 HA VAL A 82 35.106 -3.880 6.806 1.00 6.55 H new ATOM 0 HB VAL A 82 33.671 -2.107 7.407 1.00 6.32 H new ATOM 0 HG11 VAL A 82 31.644 -2.619 6.093 1.00 5.50 H new ATOM 0 HG12 VAL A 82 33.125 -3.224 5.315 1.00 5.50 H new ATOM 0 HG13 VAL A 82 32.047 -4.351 6.172 1.00 5.50 H new ATOM 0 HG21 VAL A 82 31.490 -2.424 8.506 1.00 7.25 H new ATOM 0 HG22 VAL A 82 31.878 -4.144 8.751 1.00 7.25 H new ATOM 0 HG23 VAL A 82 32.852 -2.889 9.553 1.00 7.25 H new ATOM 1176 N ALA A 83 34.481 -4.643 9.952 1.00 8.43 N ATOM 1177 CA ALA A 83 35.001 -4.705 11.307 1.00 9.53 C ATOM 1178 C ALA A 83 36.393 -5.322 11.322 1.00 9.70 C ATOM 1179 O ALA A 83 37.318 -4.775 11.919 1.00 10.09 O ATOM 1180 CB ALA A 83 34.055 -5.532 12.155 1.00 10.39 C ATOM 0 H ALA A 83 33.627 -5.185 9.820 1.00 8.43 H new ATOM 0 HA ALA A 83 35.076 -3.695 11.711 1.00 9.53 H new ATOM 0 HB1 ALA A 83 34.434 -5.586 13.175 1.00 10.39 H new ATOM 0 HB2 ALA A 83 33.069 -5.067 12.159 1.00 10.39 H new ATOM 0 HB3 ALA A 83 33.981 -6.538 11.742 1.00 10.39 H new ATOM 1186 N ILE A 84 36.532 -6.459 10.654 1.00 9.53 N ATOM 1187 CA ILE A 84 37.807 -7.161 10.573 1.00 9.80 C ATOM 1188 C ILE A 84 38.864 -6.271 9.932 1.00 9.04 C ATOM 1189 O ILE A 84 40.001 -6.201 10.394 1.00 9.43 O ATOM 1190 CB ILE A 84 37.663 -8.463 9.756 1.00 9.84 C ATOM 1191 CG1 ILE A 84 36.742 -9.438 10.492 1.00 10.78 C ATOM 1192 CG2 ILE A 84 39.026 -9.095 9.500 1.00 10.13 C ATOM 1193 CD1 ILE A 84 35.973 -10.360 9.575 1.00 10.71 C ATOM 0 H ILE A 84 35.770 -6.919 10.156 1.00 9.53 H new ATOM 0 HA ILE A 84 38.118 -7.413 11.587 1.00 9.80 H new ATOM 0 HB ILE A 84 37.220 -8.224 8.789 1.00 9.84 H new ATOM 0 HG12 ILE A 84 37.338 -10.038 11.179 1.00 10.78 H new ATOM 0 HG13 ILE A 84 36.035 -8.870 11.097 1.00 10.78 H new ATOM 0 HG21 ILE A 84 38.900 -10.011 8.923 1.00 10.13 H new ATOM 0 HG22 ILE A 84 39.651 -8.398 8.942 1.00 10.13 H new ATOM 0 HG23 ILE A 84 39.503 -9.329 10.452 1.00 10.13 H new ATOM 0 HD11 ILE A 84 35.342 -11.021 10.169 1.00 10.71 H new ATOM 0 HD12 ILE A 84 35.349 -9.769 8.905 1.00 10.71 H new ATOM 0 HD13 ILE A 84 36.672 -10.956 8.988 1.00 10.71 H new ATOM 1205 N ILE A 85 38.466 -5.575 8.884 1.00 8.01 N ATOM 1206 CA ILE A 85 39.365 -4.710 8.153 1.00 7.27 C ATOM 1207 C ILE A 85 39.843 -3.550 9.016 1.00 7.66 C ATOM 1208 O ILE A 85 41.038 -3.258 9.072 1.00 7.73 O ATOM 1209 CB ILE A 85 38.690 -4.179 6.886 1.00 6.22 C ATOM 1210 CG1 ILE A 85 38.288 -5.349 5.990 1.00 6.07 C ATOM 1211 CG2 ILE A 85 39.609 -3.219 6.154 1.00 5.61 C ATOM 1212 CD1 ILE A 85 37.426 -4.957 4.812 1.00 5.25 C ATOM 0 H ILE A 85 37.514 -5.595 8.519 1.00 8.01 H new ATOM 0 HA ILE A 85 40.235 -5.303 7.869 1.00 7.27 H new ATOM 0 HB ILE A 85 37.791 -3.628 7.163 1.00 6.22 H new ATOM 0 HG12 ILE A 85 39.190 -5.836 5.620 1.00 6.07 H new ATOM 0 HG13 ILE A 85 37.752 -6.084 6.590 1.00 6.07 H new ATOM 0 HG21 ILE A 85 39.111 -2.852 5.256 1.00 5.61 H new ATOM 0 HG22 ILE A 85 39.850 -2.378 6.805 1.00 5.61 H new ATOM 0 HG23 ILE A 85 40.527 -3.736 5.875 1.00 5.61 H new ATOM 0 HD11 ILE A 85 37.185 -5.844 4.227 1.00 5.25 H new ATOM 0 HD12 ILE A 85 36.505 -4.498 5.172 1.00 5.25 H new ATOM 0 HD13 ILE A 85 37.966 -4.246 4.187 1.00 5.25 H new ATOM 1224 N THR A 86 38.923 -2.892 9.703 1.00 8.07 N ATOM 1225 CA THR A 86 39.316 -1.816 10.598 1.00 8.77 C ATOM 1226 C THR A 86 40.063 -2.367 11.821 1.00 9.82 C ATOM 1227 O THR A 86 40.823 -1.646 12.465 1.00 10.38 O ATOM 1228 CB THR A 86 38.140 -0.889 11.015 1.00 9.14 C ATOM 1229 OG1 THR A 86 38.522 -0.058 12.112 1.00 10.16 O ATOM 1230 CG2 THR A 86 36.884 -1.657 11.367 1.00 9.36 C ATOM 0 H THR A 86 37.921 -3.078 9.661 1.00 8.07 H new ATOM 0 HA THR A 86 39.998 -1.182 10.031 1.00 8.77 H new ATOM 0 HB THR A 86 37.910 -0.271 10.147 1.00 9.14 H new ATOM 0 HG1 THR A 86 39.328 0.446 11.875 1.00 10.16 H new ATOM 0 HG21 THR A 86 36.097 -0.958 11.650 1.00 9.36 H new ATOM 0 HG22 THR A 86 36.559 -2.239 10.504 1.00 9.36 H new ATOM 0 HG23 THR A 86 37.090 -2.329 12.201 1.00 9.36 H new ATOM 1238 N SER A 87 39.869 -3.650 12.118 1.00 10.16 N ATOM 1239 CA SER A 87 40.636 -4.319 13.168 1.00 11.17 C ATOM 1240 C SER A 87 42.051 -4.645 12.679 1.00 10.93 C ATOM 1241 O SER A 87 42.969 -4.825 13.476 1.00 11.68 O ATOM 1242 CB SER A 87 39.924 -5.595 13.625 1.00 11.77 C ATOM 1243 OG SER A 87 38.634 -5.296 14.143 1.00 12.35 O ATOM 0 H SER A 87 39.189 -4.247 11.648 1.00 10.16 H new ATOM 0 HA SER A 87 40.712 -3.641 14.018 1.00 11.17 H new ATOM 0 HB2 SER A 87 39.833 -6.286 12.787 1.00 11.77 H new ATOM 0 HB3 SER A 87 40.520 -6.096 14.388 1.00 11.77 H new ATOM 0 HG SER A 87 37.978 -5.312 13.416 1.00 12.35 H new ATOM 1249 N MET A 88 42.218 -4.713 11.361 1.00 9.91 N ATOM 1250 CA MET A 88 43.535 -4.914 10.758 1.00 9.62 C ATOM 1251 C MET A 88 44.379 -3.659 10.912 1.00 9.52 C ATOM 1252 O MET A 88 45.610 -3.707 10.892 1.00 9.66 O ATOM 1253 CB MET A 88 43.405 -5.248 9.272 1.00 8.63 C ATOM 1254 CG MET A 88 42.824 -6.624 8.988 1.00 8.93 C ATOM 1255 SD MET A 88 43.842 -7.958 9.645 1.00 10.15 S ATOM 1256 CE MET A 88 45.347 -7.732 8.700 1.00 10.33 C ATOM 0 H MET A 88 41.456 -4.632 10.687 1.00 9.91 H new ATOM 0 HA MET A 88 44.016 -5.747 11.271 1.00 9.62 H new ATOM 0 HB2 MET A 88 42.776 -4.496 8.796 1.00 8.63 H new ATOM 0 HB3 MET A 88 44.389 -5.180 8.809 1.00 8.63 H new ATOM 0 HG2 MET A 88 41.825 -6.688 9.420 1.00 8.93 H new ATOM 0 HG3 MET A 88 42.715 -6.753 7.911 1.00 8.93 H new ATOM 0 HE1 MET A 88 45.937 -8.648 8.731 1.00 10.33 H new ATOM 0 HE2 MET A 88 45.095 -7.497 7.666 1.00 10.33 H new ATOM 0 HE3 MET A 88 45.925 -6.913 9.127 1.00 10.33 H new ATOM 1266 N GLY A 89 43.695 -2.537 11.053 1.00 9.41 N ATOM 1267 CA GLY A 89 44.356 -1.259 11.179 1.00 9.53 C ATOM 1268 C GLY A 89 43.781 -0.239 10.219 1.00 8.82 C ATOM 1269 O GLY A 89 44.223 0.907 10.174 1.00 9.04 O ATOM 0 H GLY A 89 42.677 -2.490 11.083 1.00 9.41 H new ATOM 0 HA2 GLY A 89 44.255 -0.895 12.201 1.00 9.53 H new ATOM 0 HA3 GLY A 89 45.422 -1.379 10.988 1.00 9.53 H new ATOM 1273 N PHE A 90 42.787 -0.662 9.446 1.00 8.10 N ATOM 1274 CA PHE A 90 42.156 0.205 8.467 1.00 7.50 C ATOM 1275 C PHE A 90 40.921 0.870 9.063 1.00 8.05 C ATOM 1276 O PHE A 90 40.658 0.754 10.258 1.00 8.89 O ATOM 1277 CB PHE A 90 41.803 -0.609 7.217 1.00 6.45 C ATOM 1278 CG PHE A 90 43.011 -1.254 6.593 1.00 6.07 C ATOM 1279 CD1 PHE A 90 44.114 -0.499 6.239 1.00 6.07 C ATOM 1280 CD2 PHE A 90 43.037 -2.621 6.355 1.00 5.98 C ATOM 1281 CE1 PHE A 90 45.221 -1.089 5.660 1.00 5.89 C ATOM 1282 CE2 PHE A 90 44.141 -3.217 5.777 1.00 5.84 C ATOM 1283 CZ PHE A 90 45.250 -2.442 5.451 1.00 5.76 C ATOM 0 H PHE A 90 42.402 -1.606 9.482 1.00 8.10 H new ATOM 0 HA PHE A 90 42.849 0.996 8.181 1.00 7.50 H new ATOM 0 HB2 PHE A 90 41.079 -1.380 7.481 1.00 6.45 H new ATOM 0 HB3 PHE A 90 41.324 0.042 6.486 1.00 6.45 H new ATOM 0 HD1 PHE A 90 44.110 0.566 6.417 1.00 6.07 H new ATOM 0 HD2 PHE A 90 42.184 -3.226 6.625 1.00 5.98 H new ATOM 0 HE1 PHE A 90 46.066 -0.481 5.371 1.00 5.89 H new ATOM 0 HE2 PHE A 90 44.144 -4.279 5.579 1.00 5.84 H new ATOM 0 HZ PHE A 90 46.131 -2.907 5.034 1.00 5.76 H new ATOM 1293 N GLN A 91 40.182 1.584 8.235 1.00 7.71 N ATOM 1294 CA GLN A 91 38.975 2.259 8.672 1.00 8.28 C ATOM 1295 C GLN A 91 37.749 1.436 8.279 1.00 7.66 C ATOM 1296 O GLN A 91 37.774 0.773 7.246 1.00 6.72 O ATOM 1297 CB GLN A 91 38.927 3.643 8.024 1.00 8.59 C ATOM 1298 CG GLN A 91 37.660 4.420 8.297 1.00 9.30 C ATOM 1299 CD GLN A 91 37.593 5.708 7.503 1.00 9.79 C ATOM 1300 OE1 GLN A 91 37.059 5.738 6.394 1.00 10.05 O ATOM 1301 NE2 GLN A 91 38.143 6.777 8.057 1.00 10.16 N ATOM 0 H GLN A 91 40.400 1.712 7.247 1.00 7.71 H new ATOM 0 HA GLN A 91 38.977 2.368 9.757 1.00 8.28 H new ATOM 0 HB2 GLN A 91 39.778 4.225 8.377 1.00 8.59 H new ATOM 0 HB3 GLN A 91 39.043 3.530 6.946 1.00 8.59 H new ATOM 0 HG2 GLN A 91 36.797 3.800 8.053 1.00 9.30 H new ATOM 0 HG3 GLN A 91 37.599 4.648 9.361 1.00 9.30 H new ATOM 0 HE21 GLN A 91 38.575 6.709 8.978 1.00 10.16 H new ATOM 0 HE22 GLN A 91 38.135 7.669 7.563 1.00 10.16 H new ATOM 1310 N ARG A 92 36.689 1.457 9.089 1.00 8.25 N ATOM 1311 CA ARG A 92 35.470 0.711 8.758 1.00 7.79 C ATOM 1312 C ARG A 92 34.924 1.167 7.413 1.00 7.08 C ATOM 1313 O ARG A 92 34.682 0.361 6.521 1.00 6.21 O ATOM 1314 CB ARG A 92 34.379 0.902 9.808 1.00 8.69 C ATOM 1315 CG ARG A 92 33.111 0.142 9.452 1.00 8.30 C ATOM 1316 CD ARG A 92 31.847 0.881 9.860 1.00 8.98 C ATOM 1317 NE ARG A 92 31.593 0.821 11.298 1.00 10.14 N ATOM 1318 CZ ARG A 92 30.381 0.944 11.845 1.00 10.93 C ATOM 1319 NH1 ARG A 92 29.315 1.143 11.073 1.00 10.74 N ATOM 1320 NH2 ARG A 92 30.236 0.864 13.159 1.00 11.98 N ATOM 0 H ARG A 92 36.647 1.974 9.967 1.00 8.25 H new ATOM 0 HA ARG A 92 35.744 -0.343 8.725 1.00 7.79 H new ATOM 0 HB2 ARG A 92 34.745 0.564 10.778 1.00 8.69 H new ATOM 0 HB3 ARG A 92 34.151 1.963 9.906 1.00 8.69 H new ATOM 0 HG2 ARG A 92 33.090 -0.038 8.377 1.00 8.30 H new ATOM 0 HG3 ARG A 92 33.129 -0.833 9.938 1.00 8.30 H new ATOM 0 HD2 ARG A 92 31.927 1.924 9.553 1.00 8.98 H new ATOM 0 HD3 ARG A 92 30.996 0.456 9.328 1.00 8.98 H new ATOM 0 HE ARG A 92 32.388 0.677 11.920 1.00 10.14 H new ATOM 0 HH11 ARG A 92 29.422 1.202 10.060 1.00 10.74 H new ATOM 0 HH12 ARG A 92 28.391 1.236 11.494 1.00 10.74 H new ATOM 0 HH21 ARG A 92 31.050 0.708 13.753 1.00 11.98 H new ATOM 0 HH22 ARG A 92 29.310 0.958 13.577 1.00 11.98 H new ATOM 1334 N ASN A 93 34.723 2.468 7.290 1.00 7.66 N ATOM 1335 CA ASN A 93 34.216 3.067 6.055 1.00 7.40 C ATOM 1336 C ASN A 93 35.139 2.766 4.878 1.00 6.66 C ATOM 1337 O ASN A 93 34.686 2.515 3.758 1.00 6.20 O ATOM 1338 CB ASN A 93 34.065 4.573 6.241 1.00 8.50 C ATOM 1339 CG ASN A 93 33.601 5.278 4.980 1.00 8.62 C ATOM 1340 OD1 ASN A 93 32.406 5.364 4.708 1.00 8.59 O ATOM 1341 ND2 ASN A 93 34.545 5.805 4.215 1.00 9.02 N ATOM 0 H ASN A 93 34.904 3.140 8.035 1.00 7.66 H new ATOM 0 HA ASN A 93 33.242 2.632 5.833 1.00 7.40 H new ATOM 0 HB2 ASN A 93 33.352 4.766 7.043 1.00 8.50 H new ATOM 0 HB3 ASN A 93 35.020 4.993 6.556 1.00 8.50 H new ATOM 0 HD21 ASN A 93 34.291 6.305 3.363 1.00 9.02 H new ATOM 0 HD22 ASN A 93 35.526 5.711 4.478 1.00 9.02 H new ATOM 1348 N GLN A 94 36.434 2.770 5.150 1.00 6.68 N ATOM 1349 CA GLN A 94 37.438 2.415 4.157 1.00 6.08 C ATOM 1350 C GLN A 94 37.264 0.958 3.754 1.00 5.11 C ATOM 1351 O GLN A 94 37.358 0.598 2.579 1.00 4.70 O ATOM 1352 CB GLN A 94 38.829 2.678 4.731 1.00 6.39 C ATOM 1353 CG GLN A 94 39.958 1.889 4.094 1.00 5.72 C ATOM 1354 CD GLN A 94 41.316 2.399 4.532 1.00 6.13 C ATOM 1355 OE1 GLN A 94 41.842 1.975 5.557 1.00 6.28 O ATOM 1356 NE2 GLN A 94 41.889 3.312 3.765 1.00 6.56 N ATOM 0 H GLN A 94 36.819 3.018 6.061 1.00 6.68 H new ATOM 0 HA GLN A 94 37.318 3.026 3.262 1.00 6.08 H new ATOM 0 HB2 GLN A 94 39.050 3.741 4.630 1.00 6.39 H new ATOM 0 HB3 GLN A 94 38.811 2.456 5.798 1.00 6.39 H new ATOM 0 HG2 GLN A 94 39.862 0.836 4.360 1.00 5.72 H new ATOM 0 HG3 GLN A 94 39.879 1.952 3.009 1.00 5.72 H new ATOM 0 HE21 GLN A 94 41.418 3.638 2.921 1.00 6.56 H new ATOM 0 HE22 GLN A 94 42.802 3.690 4.018 1.00 6.56 H new ATOM 1365 N ALA A 95 36.980 0.131 4.750 1.00 5.10 N ATOM 1366 CA ALA A 95 36.680 -1.269 4.537 1.00 4.58 C ATOM 1367 C ALA A 95 35.416 -1.429 3.697 1.00 4.24 C ATOM 1368 O ALA A 95 35.340 -2.305 2.836 1.00 3.93 O ATOM 1369 CB ALA A 95 36.528 -1.952 5.880 1.00 5.22 C ATOM 0 H ALA A 95 36.952 0.417 5.729 1.00 5.10 H new ATOM 0 HA ALA A 95 37.498 -1.736 3.988 1.00 4.58 H new ATOM 0 HB1 ALA A 95 36.302 -3.007 5.728 1.00 5.22 H new ATOM 0 HB2 ALA A 95 37.456 -1.857 6.443 1.00 5.22 H new ATOM 0 HB3 ALA A 95 35.716 -1.484 6.437 1.00 5.22 H new ATOM 1375 N ILE A 96 34.429 -0.566 3.945 1.00 4.61 N ATOM 1376 CA ILE A 96 33.188 -0.577 3.181 1.00 4.48 C ATOM 1377 C ILE A 96 33.457 -0.313 1.708 1.00 4.45 C ATOM 1378 O ILE A 96 33.040 -1.084 0.845 1.00 4.33 O ATOM 1379 CB ILE A 96 32.170 0.465 3.712 1.00 5.19 C ATOM 1380 CG1 ILE A 96 31.412 -0.101 4.908 1.00 5.44 C ATOM 1381 CG2 ILE A 96 31.197 0.889 2.624 1.00 5.34 C ATOM 1382 CD1 ILE A 96 31.605 0.689 6.172 1.00 6.39 C ATOM 0 H ILE A 96 34.469 0.149 4.671 1.00 4.61 H new ATOM 0 HA ILE A 96 32.755 -1.570 3.300 1.00 4.48 H new ATOM 0 HB ILE A 96 32.725 1.348 4.029 1.00 5.19 H new ATOM 0 HG12 ILE A 96 30.349 -0.136 4.670 1.00 5.44 H new ATOM 0 HG13 ILE A 96 31.734 -1.128 5.079 1.00 5.44 H new ATOM 0 HG21 ILE A 96 30.496 1.620 3.027 1.00 5.34 H new ATOM 0 HG22 ILE A 96 31.749 1.334 1.796 1.00 5.34 H new ATOM 0 HG23 ILE A 96 30.648 0.018 2.268 1.00 5.34 H new ATOM 0 HD11 ILE A 96 31.037 0.228 6.980 1.00 6.39 H new ATOM 0 HD12 ILE A 96 32.663 0.703 6.435 1.00 6.39 H new ATOM 0 HD13 ILE A 96 31.256 1.710 6.020 1.00 6.39 H new ATOM 1394 N GLN A 97 34.166 0.772 1.434 1.00 4.95 N ATOM 1395 CA GLN A 97 34.523 1.132 0.068 1.00 5.42 C ATOM 1396 C GLN A 97 35.255 -0.009 -0.617 1.00 5.09 C ATOM 1397 O GLN A 97 34.977 -0.345 -1.772 1.00 5.57 O ATOM 1398 CB GLN A 97 35.403 2.370 0.060 1.00 6.13 C ATOM 1399 CG GLN A 97 35.839 2.778 -1.336 1.00 6.88 C ATOM 1400 CD GLN A 97 36.504 4.140 -1.387 1.00 7.78 C ATOM 1401 OE1 GLN A 97 37.374 4.387 -2.225 1.00 8.13 O ATOM 1402 NE2 GLN A 97 36.098 5.033 -0.502 1.00 8.36 N ATOM 0 H GLN A 97 34.507 1.422 2.142 1.00 4.95 H new ATOM 0 HA GLN A 97 33.601 1.339 -0.476 1.00 5.42 H new ATOM 0 HB2 GLN A 97 34.863 3.196 0.522 1.00 6.13 H new ATOM 0 HB3 GLN A 97 36.286 2.185 0.671 1.00 6.13 H new ATOM 0 HG2 GLN A 97 36.530 2.030 -1.726 1.00 6.88 H new ATOM 0 HG3 GLN A 97 34.969 2.782 -1.993 1.00 6.88 H new ATOM 0 HE21 GLN A 97 35.375 4.788 0.175 1.00 8.36 H new ATOM 0 HE22 GLN A 97 36.507 5.967 -0.496 1.00 8.36 H new ATOM 1411 N ALA A 98 36.188 -0.592 0.106 1.00 4.57 N ATOM 1412 CA ALA A 98 36.962 -1.701 -0.403 1.00 4.55 C ATOM 1413 C ALA A 98 36.058 -2.873 -0.762 1.00 4.70 C ATOM 1414 O ALA A 98 36.080 -3.351 -1.892 1.00 5.41 O ATOM 1415 CB ALA A 98 38.004 -2.114 0.618 1.00 4.17 C ATOM 0 H ALA A 98 36.429 -0.312 1.057 1.00 4.57 H new ATOM 0 HA ALA A 98 37.471 -1.385 -1.313 1.00 4.55 H new ATOM 0 HB1 ALA A 98 38.584 -2.950 0.228 1.00 4.17 H new ATOM 0 HB2 ALA A 98 38.669 -1.274 0.820 1.00 4.17 H new ATOM 0 HB3 ALA A 98 37.509 -2.415 1.542 1.00 4.17 H new ATOM 1421 N LEU A 99 35.230 -3.301 0.189 1.00 4.31 N ATOM 1422 CA LEU A 99 34.325 -4.426 -0.036 1.00 4.67 C ATOM 1423 C LEU A 99 33.323 -4.125 -1.142 1.00 5.10 C ATOM 1424 O LEU A 99 32.850 -5.031 -1.812 1.00 5.77 O ATOM 1425 CB LEU A 99 33.561 -4.782 1.232 1.00 4.44 C ATOM 1426 CG LEU A 99 34.406 -5.274 2.397 1.00 4.61 C ATOM 1427 CD1 LEU A 99 33.588 -5.285 3.665 1.00 4.82 C ATOM 1428 CD2 LEU A 99 34.940 -6.658 2.108 1.00 5.40 C ATOM 0 H LEU A 99 35.167 -2.888 1.119 1.00 4.31 H new ATOM 0 HA LEU A 99 34.947 -5.270 -0.335 1.00 4.67 H new ATOM 0 HB2 LEU A 99 33.004 -3.903 1.557 1.00 4.44 H new ATOM 0 HB3 LEU A 99 32.828 -5.551 0.988 1.00 4.44 H new ATOM 0 HG LEU A 99 35.249 -4.595 2.529 1.00 4.61 H new ATOM 0 HD11 LEU A 99 34.204 -5.639 4.492 1.00 4.82 H new ATOM 0 HD12 LEU A 99 33.237 -4.276 3.880 1.00 4.82 H new ATOM 0 HD13 LEU A 99 32.732 -5.948 3.540 1.00 4.82 H new ATOM 0 HD21 LEU A 99 35.543 -6.998 2.950 1.00 5.40 H new ATOM 0 HD22 LEU A 99 34.107 -7.345 1.957 1.00 5.40 H new ATOM 0 HD23 LEU A 99 35.555 -6.630 1.209 1.00 5.40 H new ATOM 1440 N ARG A 100 32.974 -2.859 -1.302 1.00 5.01 N ATOM 1441 CA ARG A 100 32.099 -2.443 -2.397 1.00 5.73 C ATOM 1442 C ARG A 100 32.698 -2.848 -3.734 1.00 6.63 C ATOM 1443 O ARG A 100 32.045 -3.479 -4.565 1.00 7.33 O ATOM 1444 CB ARG A 100 31.895 -0.932 -2.367 1.00 5.96 C ATOM 1445 CG ARG A 100 30.875 -0.474 -1.346 1.00 5.58 C ATOM 1446 CD ARG A 100 30.892 1.032 -1.191 1.00 6.19 C ATOM 1447 NE ARG A 100 29.721 1.518 -0.461 1.00 6.32 N ATOM 1448 CZ ARG A 100 29.484 2.802 -0.193 1.00 7.08 C ATOM 1449 NH1 ARG A 100 30.317 3.740 -0.626 1.00 7.71 N ATOM 1450 NH2 ARG A 100 28.392 3.149 0.482 1.00 7.36 N ATOM 0 H ARG A 100 33.279 -2.100 -0.692 1.00 5.01 H new ATOM 0 HA ARG A 100 31.135 -2.937 -2.272 1.00 5.73 H new ATOM 0 HB2 ARG A 100 32.849 -0.450 -2.155 1.00 5.96 H new ATOM 0 HB3 ARG A 100 31.581 -0.597 -3.356 1.00 5.96 H new ATOM 0 HG2 ARG A 100 29.880 -0.799 -1.651 1.00 5.58 H new ATOM 0 HG3 ARG A 100 31.083 -0.943 -0.385 1.00 5.58 H new ATOM 0 HD2 ARG A 100 31.798 1.333 -0.665 1.00 6.19 H new ATOM 0 HD3 ARG A 100 30.925 1.498 -2.176 1.00 6.19 H new ATOM 0 HE ARG A 100 29.042 0.830 -0.136 1.00 6.32 H new ATOM 0 HH11 ARG A 100 31.142 3.479 -1.166 1.00 7.71 H new ATOM 0 HH12 ARG A 100 30.132 4.721 -0.419 1.00 7.71 H new ATOM 0 HH21 ARG A 100 27.736 2.433 0.794 1.00 7.36 H new ATOM 0 HH22 ARG A 100 28.210 4.131 0.687 1.00 7.36 H new ATOM 1464 N ALA A 101 33.952 -2.488 -3.912 1.00 6.70 N ATOM 1465 CA ALA A 101 34.682 -2.795 -5.128 1.00 7.62 C ATOM 1466 C ALA A 101 34.917 -4.296 -5.270 1.00 7.91 C ATOM 1467 O ALA A 101 34.773 -4.860 -6.354 1.00 8.88 O ATOM 1468 CB ALA A 101 36.004 -2.053 -5.106 1.00 7.61 C ATOM 0 H ALA A 101 34.496 -1.974 -3.219 1.00 6.70 H new ATOM 0 HA ALA A 101 34.091 -2.475 -5.986 1.00 7.62 H new ATOM 0 HB1 ALA A 101 36.562 -2.276 -6.016 1.00 7.61 H new ATOM 0 HB2 ALA A 101 35.818 -0.980 -5.048 1.00 7.61 H new ATOM 0 HB3 ALA A 101 36.584 -2.368 -4.238 1.00 7.61 H new ATOM 1474 N THR A 102 35.270 -4.937 -4.164 1.00 7.24 N ATOM 1475 CA THR A 102 35.630 -6.345 -4.168 1.00 7.76 C ATOM 1476 C THR A 102 34.412 -7.264 -4.135 1.00 8.12 C ATOM 1477 O THR A 102 34.540 -8.476 -4.279 1.00 8.79 O ATOM 1478 CB THR A 102 36.531 -6.644 -2.971 1.00 7.19 C ATOM 1479 OG1 THR A 102 35.786 -6.579 -1.747 1.00 6.44 O ATOM 1480 CG2 THR A 102 37.638 -5.618 -2.938 1.00 6.79 C ATOM 0 H THR A 102 35.314 -4.497 -3.245 1.00 7.24 H new ATOM 0 HA THR A 102 36.157 -6.543 -5.101 1.00 7.76 H new ATOM 0 HB THR A 102 36.941 -7.649 -3.071 1.00 7.19 H new ATOM 0 HG1 THR A 102 36.199 -7.168 -1.081 1.00 6.44 H new ATOM 0 HG21 THR A 102 38.292 -5.816 -2.089 1.00 6.79 H new ATOM 0 HG22 THR A 102 38.215 -5.675 -3.861 1.00 6.79 H new ATOM 0 HG23 THR A 102 37.208 -4.621 -2.840 1.00 6.79 H new ATOM 1488 N ASN A 103 33.238 -6.663 -3.955 1.00 7.78 N ATOM 1489 CA ASN A 103 31.986 -7.395 -3.754 1.00 8.03 C ATOM 1490 C ASN A 103 32.068 -8.244 -2.496 1.00 7.69 C ATOM 1491 O ASN A 103 32.125 -9.473 -2.548 1.00 8.43 O ATOM 1492 CB ASN A 103 31.631 -8.255 -4.962 1.00 9.26 C ATOM 1493 CG ASN A 103 30.260 -8.893 -4.834 1.00 9.66 C ATOM 1494 OD1 ASN A 103 29.336 -8.311 -4.257 1.00 10.09 O ATOM 1495 ND2 ASN A 103 30.121 -10.097 -5.359 1.00 9.74 N ATOM 0 H ASN A 103 33.126 -5.649 -3.944 1.00 7.78 H new ATOM 0 HA ASN A 103 31.189 -6.661 -3.634 1.00 8.03 H new ATOM 0 HB2 ASN A 103 31.661 -7.642 -5.863 1.00 9.26 H new ATOM 0 HB3 ASN A 103 32.382 -9.035 -5.083 1.00 9.26 H new ATOM 0 HD21 ASN A 103 29.225 -10.581 -5.296 1.00 9.74 H new ATOM 0 HD22 ASN A 103 30.910 -10.543 -5.828 1.00 9.74 H new ATOM 1502 N ASN A 104 32.119 -7.537 -1.374 1.00 6.74 N ATOM 1503 CA ASN A 104 32.165 -8.105 -0.016 1.00 6.57 C ATOM 1504 C ASN A 104 33.278 -9.145 0.158 1.00 7.31 C ATOM 1505 O ASN A 104 33.246 -9.954 1.085 1.00 7.80 O ATOM 1506 CB ASN A 104 30.793 -8.676 0.417 1.00 6.81 C ATOM 1507 CG ASN A 104 30.424 -10.024 -0.195 1.00 7.28 C ATOM 1508 OD1 ASN A 104 30.799 -11.079 0.319 1.00 7.71 O ATOM 1509 ND2 ASN A 104 29.638 -10.001 -1.261 1.00 7.45 N ATOM 0 H ASN A 104 32.130 -6.517 -1.375 1.00 6.74 H new ATOM 0 HA ASN A 104 32.406 -7.275 0.648 1.00 6.57 H new ATOM 0 HB2 ASN A 104 30.785 -8.774 1.503 1.00 6.81 H new ATOM 0 HB3 ASN A 104 30.019 -7.954 0.157 1.00 6.81 H new ATOM 0 HD21 ASN A 104 29.324 -10.875 -1.682 1.00 7.45 H new ATOM 0 HD22 ASN A 104 29.347 -9.109 -1.661 1.00 7.45 H new ATOM 1516 N ASN A 105 34.283 -9.095 -0.709 1.00 7.54 N ATOM 1517 CA ASN A 105 35.454 -9.954 -0.567 1.00 8.24 C ATOM 1518 C ASN A 105 36.418 -9.336 0.431 1.00 7.62 C ATOM 1519 O ASN A 105 37.027 -8.305 0.164 1.00 6.99 O ATOM 1520 CB ASN A 105 36.155 -10.161 -1.916 1.00 8.91 C ATOM 1521 CG ASN A 105 35.569 -11.316 -2.709 1.00 9.80 C ATOM 1522 OD1 ASN A 105 35.997 -12.460 -2.566 1.00 10.00 O ATOM 1523 ND2 ASN A 105 34.603 -11.031 -3.565 1.00 10.49 N ATOM 0 H ASN A 105 34.311 -8.471 -1.515 1.00 7.54 H new ATOM 0 HA ASN A 105 35.127 -10.929 -0.205 1.00 8.24 H new ATOM 0 HB2 ASN A 105 36.080 -9.246 -2.504 1.00 8.91 H new ATOM 0 HB3 ASN A 105 37.216 -10.344 -1.745 1.00 8.91 H new ATOM 0 HD21 ASN A 105 34.189 -11.771 -4.132 1.00 10.49 H new ATOM 0 HD22 ASN A 105 34.271 -10.071 -3.659 1.00 10.49 H new ATOM 1530 N LEU A 106 36.526 -9.989 1.587 1.00 7.99 N ATOM 1531 CA LEU A 106 37.331 -9.515 2.712 1.00 7.70 C ATOM 1532 C LEU A 106 38.784 -9.306 2.316 1.00 7.69 C ATOM 1533 O LEU A 106 39.322 -8.207 2.431 1.00 6.94 O ATOM 1534 CB LEU A 106 37.243 -10.544 3.846 1.00 8.64 C ATOM 1535 CG LEU A 106 38.089 -10.265 5.098 1.00 8.79 C ATOM 1536 CD1 LEU A 106 37.381 -10.808 6.320 1.00 9.54 C ATOM 1537 CD2 LEU A 106 39.464 -10.899 4.986 1.00 9.40 C ATOM 0 H LEU A 106 36.051 -10.873 1.771 1.00 7.99 H new ATOM 0 HA LEU A 106 36.940 -8.551 3.038 1.00 7.70 H new ATOM 0 HB2 LEU A 106 36.200 -10.625 4.151 1.00 8.64 H new ATOM 0 HB3 LEU A 106 37.535 -11.516 3.447 1.00 8.64 H new ATOM 0 HG LEU A 106 38.216 -9.186 5.189 1.00 8.79 H new ATOM 0 HD11 LEU A 106 37.982 -10.609 7.207 1.00 9.54 H new ATOM 0 HD12 LEU A 106 36.410 -10.323 6.424 1.00 9.54 H new ATOM 0 HD13 LEU A 106 37.240 -11.883 6.211 1.00 9.54 H new ATOM 0 HD21 LEU A 106 40.038 -10.684 5.887 1.00 9.40 H new ATOM 0 HD22 LEU A 106 39.359 -11.978 4.872 1.00 9.40 H new ATOM 0 HD23 LEU A 106 39.983 -10.491 4.119 1.00 9.40 H new ATOM 1549 N GLU A 107 39.413 -10.384 1.888 1.00 8.63 N ATOM 1550 CA GLU A 107 40.818 -10.354 1.485 1.00 8.84 C ATOM 1551 C GLU A 107 41.058 -9.335 0.386 1.00 8.19 C ATOM 1552 O GLU A 107 42.004 -8.550 0.454 1.00 7.74 O ATOM 1553 CB GLU A 107 41.266 -11.739 1.030 1.00 10.06 C ATOM 1554 CG GLU A 107 41.246 -12.761 2.148 1.00 10.88 C ATOM 1555 CD GLU A 107 42.395 -12.584 3.119 1.00 11.25 C ATOM 1556 OE1 GLU A 107 42.503 -11.500 3.725 1.00 11.09 O ATOM 1557 OE2 GLU A 107 43.204 -13.523 3.273 1.00 11.82 O ATOM 0 H GLU A 107 38.974 -11.301 1.808 1.00 8.63 H new ATOM 0 HA GLU A 107 41.409 -10.056 2.351 1.00 8.84 H new ATOM 0 HB2 GLU A 107 40.617 -12.078 0.223 1.00 10.06 H new ATOM 0 HB3 GLU A 107 42.275 -11.673 0.622 1.00 10.06 H new ATOM 0 HG2 GLU A 107 40.303 -12.684 2.689 1.00 10.88 H new ATOM 0 HG3 GLU A 107 41.287 -13.763 1.720 1.00 10.88 H new ATOM 1564 N ARG A 108 40.191 -9.334 -0.616 1.00 8.29 N ATOM 1565 CA ARG A 108 40.313 -8.401 -1.719 1.00 8.02 C ATOM 1566 C ARG A 108 40.064 -6.977 -1.257 1.00 6.88 C ATOM 1567 O ARG A 108 40.566 -6.034 -1.852 1.00 6.69 O ATOM 1568 CB ARG A 108 39.326 -8.751 -2.818 1.00 8.62 C ATOM 1569 CG ARG A 108 39.671 -8.171 -4.166 1.00 8.99 C ATOM 1570 CD ARG A 108 38.636 -8.609 -5.165 1.00 9.70 C ATOM 1571 NE ARG A 108 38.683 -10.056 -5.362 1.00 10.72 N ATOM 1572 CZ ARG A 108 37.885 -10.741 -6.175 1.00 11.45 C ATOM 1573 NH1 ARG A 108 36.975 -10.118 -6.915 1.00 11.31 N ATOM 1574 NH2 ARG A 108 38.008 -12.060 -6.245 1.00 12.41 N ATOM 0 H ARG A 108 39.397 -9.970 -0.685 1.00 8.29 H new ATOM 0 HA ARG A 108 41.330 -8.474 -2.105 1.00 8.02 H new ATOM 0 HB2 ARG A 108 39.267 -9.836 -2.906 1.00 8.62 H new ATOM 0 HB3 ARG A 108 38.336 -8.401 -2.527 1.00 8.62 H new ATOM 0 HG2 ARG A 108 39.704 -7.083 -4.111 1.00 8.99 H new ATOM 0 HG3 ARG A 108 40.661 -8.505 -4.478 1.00 8.99 H new ATOM 0 HD2 ARG A 108 37.644 -8.317 -4.820 1.00 9.70 H new ATOM 0 HD3 ARG A 108 38.805 -8.103 -6.115 1.00 9.70 H new ATOM 0 HE ARG A 108 39.382 -10.581 -4.835 1.00 10.72 H new ATOM 0 HH11 ARG A 108 36.883 -9.103 -6.863 1.00 11.31 H new ATOM 0 HH12 ARG A 108 36.368 -10.654 -7.535 1.00 11.31 H new ATOM 0 HH21 ARG A 108 38.709 -12.538 -5.679 1.00 12.41 H new ATOM 0 HH22 ARG A 108 37.401 -12.597 -6.865 1.00 12.41 H new ATOM 1588 N ALA A 109 39.260 -6.814 -0.220 1.00 6.30 N ATOM 1589 CA ALA A 109 39.020 -5.500 0.326 1.00 5.34 C ATOM 1590 C ALA A 109 40.316 -4.944 0.877 1.00 5.09 C ATOM 1591 O ALA A 109 40.719 -3.834 0.558 1.00 4.76 O ATOM 1592 CB ALA A 109 37.974 -5.551 1.422 1.00 5.03 C ATOM 0 H ALA A 109 38.768 -7.572 0.254 1.00 6.30 H new ATOM 0 HA ALA A 109 38.648 -4.853 -0.468 1.00 5.34 H new ATOM 0 HB1 ALA A 109 37.812 -4.548 1.817 1.00 5.03 H new ATOM 0 HB2 ALA A 109 37.039 -5.937 1.015 1.00 5.03 H new ATOM 0 HB3 ALA A 109 38.318 -6.205 2.223 1.00 5.03 H new ATOM 1598 N LEU A 110 40.970 -5.748 1.698 1.00 5.51 N ATOM 1599 CA LEU A 110 42.276 -5.413 2.237 1.00 5.52 C ATOM 1600 C LEU A 110 43.265 -5.221 1.098 1.00 5.67 C ATOM 1601 O LEU A 110 44.130 -4.358 1.155 1.00 5.40 O ATOM 1602 CB LEU A 110 42.742 -6.537 3.148 1.00 6.35 C ATOM 1603 CG LEU A 110 41.771 -6.904 4.268 1.00 6.65 C ATOM 1604 CD1 LEU A 110 42.097 -8.281 4.810 1.00 7.78 C ATOM 1605 CD2 LEU A 110 41.832 -5.869 5.371 1.00 6.44 C ATOM 0 H LEU A 110 40.611 -6.650 2.009 1.00 5.51 H new ATOM 0 HA LEU A 110 42.213 -4.487 2.809 1.00 5.52 H new ATOM 0 HB2 LEU A 110 42.925 -7.424 2.541 1.00 6.35 H new ATOM 0 HB3 LEU A 110 43.696 -6.252 3.593 1.00 6.35 H new ATOM 0 HG LEU A 110 40.758 -6.921 3.867 1.00 6.65 H new ATOM 0 HD11 LEU A 110 41.399 -8.533 5.608 1.00 7.78 H new ATOM 0 HD12 LEU A 110 42.014 -9.016 4.010 1.00 7.78 H new ATOM 0 HD13 LEU A 110 43.114 -8.286 5.203 1.00 7.78 H new ATOM 0 HD21 LEU A 110 41.136 -6.141 6.164 1.00 6.44 H new ATOM 0 HD22 LEU A 110 42.844 -5.827 5.775 1.00 6.44 H new ATOM 0 HD23 LEU A 110 41.561 -4.893 4.969 1.00 6.44 H new ATOM 1617 N ASP A 111 43.115 -6.046 0.071 1.00 6.32 N ATOM 1618 CA ASP A 111 43.874 -5.912 -1.176 1.00 6.81 C ATOM 1619 C ASP A 111 43.708 -4.508 -1.738 1.00 6.41 C ATOM 1620 O ASP A 111 44.675 -3.793 -2.018 1.00 6.49 O ATOM 1621 CB ASP A 111 43.335 -6.898 -2.213 1.00 7.75 C ATOM 1622 CG ASP A 111 44.269 -7.093 -3.388 1.00 8.59 C ATOM 1623 OD1 ASP A 111 44.306 -6.213 -4.270 1.00 8.94 O ATOM 1624 OD2 ASP A 111 44.988 -8.114 -3.424 1.00 9.04 O ATOM 0 H ASP A 111 42.463 -6.831 0.074 1.00 6.32 H new ATOM 0 HA ASP A 111 44.924 -6.112 -0.965 1.00 6.81 H new ATOM 0 HB2 ASP A 111 43.159 -7.861 -1.733 1.00 7.75 H new ATOM 0 HB3 ASP A 111 42.371 -6.542 -2.578 1.00 7.75 H new ATOM 1629 N TRP A 112 42.451 -4.137 -1.886 1.00 6.15 N ATOM 1630 CA TRP A 112 42.057 -2.848 -2.421 1.00 6.12 C ATOM 1631 C TRP A 112 42.574 -1.723 -1.540 1.00 5.57 C ATOM 1632 O TRP A 112 43.127 -0.732 -2.021 1.00 5.97 O ATOM 1633 CB TRP A 112 40.534 -2.795 -2.501 1.00 6.03 C ATOM 1634 CG TRP A 112 40.001 -1.567 -3.173 1.00 6.48 C ATOM 1635 CD1 TRP A 112 39.688 -0.376 -2.576 1.00 6.79 C ATOM 1636 CD2 TRP A 112 39.705 -1.406 -4.565 1.00 7.05 C ATOM 1637 NE1 TRP A 112 39.228 0.515 -3.513 1.00 7.45 N ATOM 1638 CE2 TRP A 112 39.227 -0.092 -4.741 1.00 7.60 C ATOM 1639 CE3 TRP A 112 39.803 -2.239 -5.682 1.00 7.41 C ATOM 1640 CZ2 TRP A 112 38.846 0.402 -5.984 1.00 8.41 C ATOM 1641 CZ3 TRP A 112 39.423 -1.747 -6.915 1.00 8.25 C ATOM 1642 CH2 TRP A 112 38.951 -0.438 -7.058 1.00 8.69 C ATOM 0 H TRP A 112 41.662 -4.732 -1.634 1.00 6.15 H new ATOM 0 HA TRP A 112 42.485 -2.722 -3.415 1.00 6.12 H new ATOM 0 HB2 TRP A 112 40.178 -3.674 -3.038 1.00 6.03 H new ATOM 0 HB3 TRP A 112 40.125 -2.851 -1.492 1.00 6.03 H new ATOM 0 HD1 TRP A 112 39.788 -0.168 -1.521 1.00 6.79 H new ATOM 0 HE1 TRP A 112 38.934 1.474 -3.325 1.00 7.45 H new ATOM 0 HE3 TRP A 112 40.170 -3.250 -5.583 1.00 7.41 H new ATOM 0 HZ2 TRP A 112 38.481 1.412 -6.097 1.00 8.41 H new ATOM 0 HZ3 TRP A 112 39.491 -2.384 -7.784 1.00 8.25 H new ATOM 0 HH2 TRP A 112 38.664 -0.083 -8.037 1.00 8.69 H new ATOM 1653 N ILE A 113 42.392 -1.898 -0.246 1.00 4.92 N ATOM 1654 CA ILE A 113 42.802 -0.914 0.731 1.00 4.71 C ATOM 1655 C ILE A 113 44.327 -0.789 0.781 1.00 4.95 C ATOM 1656 O ILE A 113 44.865 0.310 0.883 1.00 5.25 O ATOM 1657 CB ILE A 113 42.250 -1.269 2.123 1.00 4.41 C ATOM 1658 CG1 ILE A 113 40.719 -1.261 2.091 1.00 4.22 C ATOM 1659 CG2 ILE A 113 42.769 -0.294 3.167 1.00 4.75 C ATOM 1660 CD1 ILE A 113 40.074 -1.490 3.431 1.00 4.30 C ATOM 0 H ILE A 113 41.955 -2.728 0.156 1.00 4.92 H new ATOM 0 HA ILE A 113 42.391 0.049 0.427 1.00 4.71 H new ATOM 0 HB ILE A 113 42.591 -2.268 2.395 1.00 4.41 H new ATOM 0 HG12 ILE A 113 40.380 -0.304 1.696 1.00 4.22 H new ATOM 0 HG13 ILE A 113 40.377 -2.031 1.399 1.00 4.22 H new ATOM 0 HG21 ILE A 113 42.368 -0.561 4.145 1.00 4.75 H new ATOM 0 HG22 ILE A 113 43.858 -0.338 3.197 1.00 4.75 H new ATOM 0 HG23 ILE A 113 42.454 0.717 2.909 1.00 4.75 H new ATOM 0 HD11 ILE A 113 38.990 -1.469 3.321 1.00 4.30 H new ATOM 0 HD12 ILE A 113 40.381 -2.460 3.821 1.00 4.30 H new ATOM 0 HD13 ILE A 113 40.384 -0.706 4.123 1.00 4.30 H new ATOM 1672 N PHE A 114 45.012 -1.923 0.671 1.00 5.07 N ATOM 1673 CA PHE A 114 46.471 -1.961 0.706 1.00 5.37 C ATOM 1674 C PHE A 114 47.056 -1.281 -0.528 1.00 5.85 C ATOM 1675 O PHE A 114 48.221 -0.887 -0.539 1.00 6.10 O ATOM 1676 CB PHE A 114 46.973 -3.405 0.805 1.00 5.75 C ATOM 1677 CG PHE A 114 48.426 -3.519 1.179 1.00 6.09 C ATOM 1678 CD1 PHE A 114 48.832 -3.319 2.489 1.00 6.17 C ATOM 1679 CD2 PHE A 114 49.382 -3.823 0.224 1.00 6.53 C ATOM 1680 CE1 PHE A 114 50.165 -3.422 2.840 1.00 6.62 C ATOM 1681 CE2 PHE A 114 50.714 -3.927 0.568 1.00 6.91 C ATOM 1682 CZ PHE A 114 51.108 -3.726 1.878 1.00 6.92 C ATOM 0 H PHE A 114 44.575 -2.837 0.556 1.00 5.07 H new ATOM 0 HA PHE A 114 46.803 -1.419 1.591 1.00 5.37 H new ATOM 0 HB2 PHE A 114 46.374 -3.938 1.544 1.00 5.75 H new ATOM 0 HB3 PHE A 114 46.814 -3.901 -0.152 1.00 5.75 H new ATOM 0 HD1 PHE A 114 48.098 -3.080 3.244 1.00 6.17 H new ATOM 0 HD2 PHE A 114 49.081 -3.980 -0.801 1.00 6.53 H new ATOM 0 HE1 PHE A 114 50.468 -3.265 3.865 1.00 6.62 H new ATOM 0 HE2 PHE A 114 51.449 -4.166 -0.186 1.00 6.91 H new ATOM 0 HZ PHE A 114 52.151 -3.807 2.148 1.00 6.92 H new