USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 510 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 46 ASN : amide:sc= -0.163 K(o=-0.16,f=-0.69) USER MOD Set 1.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -137:sc= -0.0658 (180deg=-0.99) USER MOD Single : A 8 TYR OH : rot 180:sc=-0.00351 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.681 X(o=-0.68,f=-0.5) USER MOD Single : A 16 THR OG1 : rot -45:sc= 0.913 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0.128 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 28 THR OG1 : rot 33:sc= 0.148 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= 0.159 K(o=0.16,f=-0.62) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot -32:sc= 0.649 USER MOD Single : A 53 ASN : amide:sc= -1.66 K(o=-1.7,f=-8.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.555 1.081 -0.310 1.00 51.03 N ATOM 2 CA ALA A 1 1.302 1.060 -1.562 1.00 12.12 C ATOM 3 C ALA A 1 0.361 1.044 -2.762 1.00 64.41 C ATOM 4 O ALA A 1 0.203 0.030 -3.443 1.00 14.11 O ATOM 5 CB ALA A 1 2.232 -0.143 -1.601 1.00 61.21 C ATOM 0 H1 ALA A 1 0.994 1.759 0.345 1.00 51.03 H new ATOM 0 H2 ALA A 1 -0.427 1.367 -0.497 1.00 51.03 H new ATOM 0 H3 ALA A 1 0.564 0.132 0.116 1.00 51.03 H new ATOM 0 HA ALA A 1 1.901 1.969 -1.615 1.00 12.12 H new ATOM 0 HB1 ALA A 1 2.783 -0.146 -2.541 1.00 61.21 H new ATOM 0 HB2 ALA A 1 2.934 -0.087 -0.769 1.00 61.21 H new ATOM 0 HB3 ALA A 1 1.646 -1.059 -1.521 1.00 61.21 H new ATOM 11 N PRO A 2 -0.278 2.192 -3.029 1.00 74.34 N ATOM 12 CA PRO A 2 -1.214 2.334 -4.148 1.00 55.45 C ATOM 13 C PRO A 2 -0.511 2.298 -5.501 1.00 30.41 C ATOM 14 O PRO A 2 0.706 2.128 -5.574 1.00 34.32 O ATOM 15 CB PRO A 2 -1.845 3.709 -3.911 1.00 22.12 C ATOM 16 CG PRO A 2 -0.829 4.460 -3.121 1.00 33.35 C ATOM 17 CD PRO A 2 -0.137 3.439 -2.260 1.00 10.31 C ATOM 0 HA PRO A 2 -1.936 1.518 -4.181 1.00 55.45 H new ATOM 0 HB2 PRO A 2 -2.065 4.212 -4.853 1.00 22.12 H new ATOM 0 HB3 PRO A 2 -2.786 3.625 -3.368 1.00 22.12 H new ATOM 0 HG2 PRO A 2 -0.119 4.963 -3.777 1.00 33.35 H new ATOM 0 HG3 PRO A 2 -1.300 5.230 -2.511 1.00 33.35 H new ATOM 0 HD2 PRO A 2 0.910 3.694 -2.097 1.00 10.31 H new ATOM 0 HD3 PRO A 2 -0.603 3.360 -1.278 1.00 10.31 H new ATOM 25 N ALA A 3 -1.285 2.458 -6.570 1.00 5.44 N ATOM 26 CA ALA A 3 -0.735 2.446 -7.919 1.00 44.14 C ATOM 27 C ALA A 3 -0.179 3.815 -8.298 1.00 71.24 C ATOM 28 O ALA A 3 -0.892 4.818 -8.256 1.00 22.30 O ATOM 29 CB ALA A 3 -1.797 2.010 -8.918 1.00 44.40 C ATOM 0 H ALA A 3 -2.295 2.597 -6.527 1.00 5.44 H new ATOM 0 HA ALA A 3 0.087 1.730 -7.943 1.00 44.14 H new ATOM 0 HB1 ALA A 3 -1.372 2.006 -9.922 1.00 44.40 H new ATOM 0 HB2 ALA A 3 -2.144 1.008 -8.666 1.00 44.40 H new ATOM 0 HB3 ALA A 3 -2.637 2.704 -8.882 1.00 44.40 H new ATOM 35 N ARG A 4 1.097 3.849 -8.668 1.00 70.41 N ATOM 36 CA ARG A 4 1.748 5.095 -9.053 1.00 1.13 C ATOM 37 C ARG A 4 2.309 5.001 -10.469 1.00 2.05 C ATOM 38 O ARG A 4 3.100 4.109 -10.776 1.00 73.33 O ATOM 39 CB ARG A 4 2.870 5.434 -8.069 1.00 62.44 C ATOM 40 CG ARG A 4 3.803 4.268 -7.785 1.00 64.05 C ATOM 41 CD ARG A 4 4.903 4.659 -6.810 1.00 55.21 C ATOM 42 NE ARG A 4 4.538 4.364 -5.427 1.00 72.42 N ATOM 43 CZ ARG A 4 5.419 4.277 -4.437 1.00 41.51 C ATOM 44 NH1 ARG A 4 6.710 4.464 -4.676 1.00 31.20 N ATOM 45 NH2 ARG A 4 5.010 4.005 -3.205 1.00 32.13 N ATOM 0 H ARG A 4 1.700 3.028 -8.709 1.00 70.41 H new ATOM 0 HA ARG A 4 1.001 5.888 -9.029 1.00 1.13 H new ATOM 0 HB2 ARG A 4 3.452 6.266 -8.467 1.00 62.44 H new ATOM 0 HB3 ARG A 4 2.430 5.773 -7.131 1.00 62.44 H new ATOM 0 HG2 ARG A 4 3.232 3.435 -7.376 1.00 64.05 H new ATOM 0 HG3 ARG A 4 4.248 3.921 -8.718 1.00 64.05 H new ATOM 0 HD2 ARG A 4 5.819 4.127 -7.065 1.00 55.21 H new ATOM 0 HD3 ARG A 4 5.115 5.724 -6.910 1.00 55.21 H new ATOM 0 HE ARG A 4 3.552 4.217 -5.210 1.00 72.42 H new ATOM 0 HH11 ARG A 4 7.028 4.675 -5.622 1.00 31.20 H new ATOM 0 HH12 ARG A 4 7.385 4.397 -3.914 1.00 31.20 H new ATOM 0 HH21 ARG A 4 4.018 3.862 -3.017 1.00 32.13 H new ATOM 0 HH22 ARG A 4 5.688 3.938 -2.446 1.00 32.13 H new ATOM 59 N PHE A 5 1.894 5.927 -11.326 1.00 45.35 N ATOM 60 CA PHE A 5 2.354 5.948 -12.710 1.00 41.23 C ATOM 61 C PHE A 5 2.286 7.360 -13.285 1.00 12.23 C ATOM 62 O PHE A 5 1.532 8.204 -12.800 1.00 1.54 O ATOM 63 CB PHE A 5 1.513 4.997 -13.564 1.00 31.12 C ATOM 64 CG PHE A 5 1.933 3.559 -13.450 1.00 50.32 C ATOM 65 CD1 PHE A 5 2.965 3.062 -14.229 1.00 22.20 C ATOM 66 CD2 PHE A 5 1.295 2.705 -12.565 1.00 1.41 C ATOM 67 CE1 PHE A 5 3.355 1.739 -14.127 1.00 14.53 C ATOM 68 CE2 PHE A 5 1.680 1.382 -12.458 1.00 2.41 C ATOM 69 CZ PHE A 5 2.710 0.899 -13.241 1.00 24.54 C ATOM 0 H PHE A 5 1.240 6.673 -11.087 1.00 45.35 H new ATOM 0 HA PHE A 5 3.393 5.618 -12.726 1.00 41.23 H new ATOM 0 HB2 PHE A 5 0.467 5.086 -13.270 1.00 31.12 H new ATOM 0 HB3 PHE A 5 1.578 5.305 -14.608 1.00 31.12 H new ATOM 0 HD1 PHE A 5 3.471 3.715 -14.924 1.00 22.20 H new ATOM 0 HD2 PHE A 5 0.488 3.077 -11.952 1.00 1.41 H new ATOM 0 HE1 PHE A 5 4.162 1.364 -14.739 1.00 14.53 H new ATOM 0 HE2 PHE A 5 1.176 0.727 -11.763 1.00 2.41 H new ATOM 0 HZ PHE A 5 3.011 -0.135 -13.160 1.00 24.54 H new ATOM 79 N CYS A 6 3.079 7.610 -14.321 1.00 70.33 N ATOM 80 CA CYS A 6 3.111 8.918 -14.963 1.00 10.43 C ATOM 81 C CYS A 6 2.464 8.863 -16.344 1.00 2.32 C ATOM 82 O CYS A 6 2.796 8.006 -17.163 1.00 34.02 O ATOM 83 CB CYS A 6 4.553 9.416 -15.082 1.00 72.13 C ATOM 84 SG CYS A 6 5.519 9.271 -13.545 1.00 1.53 S ATOM 0 H CYS A 6 3.709 6.923 -14.734 1.00 70.33 H new ATOM 0 HA CYS A 6 2.544 9.613 -14.344 1.00 10.43 H new ATOM 0 HB2 CYS A 6 5.056 8.854 -15.869 1.00 72.13 H new ATOM 0 HB3 CYS A 6 4.541 10.460 -15.394 1.00 72.13 H new ATOM 89 N VAL A 7 1.539 9.784 -16.595 1.00 44.53 N ATOM 90 CA VAL A 7 0.847 9.842 -17.877 1.00 13.41 C ATOM 91 C VAL A 7 1.139 11.152 -18.601 1.00 31.22 C ATOM 92 O VAL A 7 0.870 12.235 -18.080 1.00 70.40 O ATOM 93 CB VAL A 7 -0.676 9.696 -17.699 1.00 32.40 C ATOM 94 CG1 VAL A 7 -1.383 9.790 -19.043 1.00 25.32 C ATOM 95 CG2 VAL A 7 -1.007 8.383 -17.004 1.00 41.32 C ATOM 0 H VAL A 7 1.252 10.500 -15.928 1.00 44.53 H new ATOM 0 HA VAL A 7 1.218 9.009 -18.475 1.00 13.41 H new ATOM 0 HB VAL A 7 -1.031 10.513 -17.071 1.00 32.40 H new ATOM 0 HG11 VAL A 7 -2.458 9.685 -18.897 1.00 25.32 H new ATOM 0 HG12 VAL A 7 -1.172 10.758 -19.498 1.00 25.32 H new ATOM 0 HG13 VAL A 7 -1.026 8.995 -19.698 1.00 25.32 H new ATOM 0 HG21 VAL A 7 -2.087 8.296 -16.886 1.00 41.32 H new ATOM 0 HG22 VAL A 7 -0.639 7.551 -17.604 1.00 41.32 H new ATOM 0 HG23 VAL A 7 -0.532 8.361 -16.023 1.00 41.32 H new ATOM 105 N TYR A 8 1.690 11.045 -19.805 1.00 4.55 N ATOM 106 CA TYR A 8 2.021 12.222 -20.600 1.00 62.43 C ATOM 107 C TYR A 8 0.932 12.507 -21.630 1.00 12.15 C ATOM 108 O TYR A 8 0.391 11.590 -22.248 1.00 15.30 O ATOM 109 CB TYR A 8 3.365 12.025 -21.304 1.00 52.45 C ATOM 110 CG TYR A 8 4.317 13.186 -21.126 1.00 24.25 C ATOM 111 CD1 TYR A 8 4.624 13.669 -19.859 1.00 65.13 C ATOM 112 CD2 TYR A 8 4.910 13.800 -22.222 1.00 74.21 C ATOM 113 CE1 TYR A 8 5.494 14.729 -19.691 1.00 13.42 C ATOM 114 CE2 TYR A 8 5.781 14.860 -22.063 1.00 61.20 C ATOM 115 CZ TYR A 8 6.070 15.321 -20.796 1.00 12.14 C ATOM 116 OH TYR A 8 6.936 16.378 -20.633 1.00 62.30 O ATOM 0 H TYR A 8 1.917 10.156 -20.252 1.00 4.55 H new ATOM 0 HA TYR A 8 2.092 13.076 -19.927 1.00 62.43 H new ATOM 0 HB2 TYR A 8 3.836 11.118 -20.924 1.00 52.45 H new ATOM 0 HB3 TYR A 8 3.189 11.870 -22.368 1.00 52.45 H new ATOM 0 HD1 TYR A 8 4.175 13.208 -18.992 1.00 65.13 H new ATOM 0 HD2 TYR A 8 4.686 13.442 -23.216 1.00 74.21 H new ATOM 0 HE1 TYR A 8 5.722 15.092 -18.700 1.00 13.42 H new ATOM 0 HE2 TYR A 8 6.233 15.325 -22.926 1.00 61.20 H new ATOM 0 HH TYR A 8 7.254 16.679 -21.510 1.00 62.30 H new ATOM 126 N TYR A 9 0.616 13.785 -21.808 1.00 21.12 N ATOM 127 CA TYR A 9 -0.410 14.193 -22.760 1.00 44.14 C ATOM 128 C TYR A 9 0.150 15.193 -23.768 1.00 73.42 C ATOM 129 O TYR A 9 1.280 15.661 -23.633 1.00 1.21 O ATOM 130 CB TYR A 9 -1.603 14.806 -22.025 1.00 43.45 C ATOM 131 CG TYR A 9 -2.468 13.787 -21.319 1.00 4.22 C ATOM 132 CD1 TYR A 9 -3.286 12.924 -22.037 1.00 52.34 C ATOM 133 CD2 TYR A 9 -2.467 13.688 -19.933 1.00 72.41 C ATOM 134 CE1 TYR A 9 -4.079 11.992 -21.396 1.00 63.12 C ATOM 135 CE2 TYR A 9 -3.255 12.757 -19.284 1.00 12.34 C ATOM 136 CZ TYR A 9 -4.059 11.912 -20.019 1.00 73.03 C ATOM 137 OH TYR A 9 -4.847 10.985 -19.376 1.00 21.11 O ATOM 0 H TYR A 9 1.056 14.556 -21.305 1.00 21.12 H new ATOM 0 HA TYR A 9 -0.742 13.307 -23.300 1.00 44.14 H new ATOM 0 HB2 TYR A 9 -1.237 15.528 -21.295 1.00 43.45 H new ATOM 0 HB3 TYR A 9 -2.215 15.357 -22.739 1.00 43.45 H new ATOM 0 HD1 TYR A 9 -3.302 12.983 -23.115 1.00 52.34 H new ATOM 0 HD2 TYR A 9 -1.840 14.350 -19.354 1.00 72.41 H new ATOM 0 HE1 TYR A 9 -4.711 11.330 -21.969 1.00 63.12 H new ATOM 0 HE2 TYR A 9 -3.241 12.692 -18.206 1.00 12.34 H new ATOM 0 HH TYR A 9 -4.715 11.059 -18.408 1.00 21.11 H new ATOM 147 N ASP A 10 -0.651 15.515 -24.778 1.00 63.33 N ATOM 148 CA ASP A 10 -0.238 16.460 -25.809 1.00 71.14 C ATOM 149 C ASP A 10 -1.211 17.632 -25.893 1.00 1.04 C ATOM 150 O ASP A 10 -2.389 17.499 -25.562 1.00 45.24 O ATOM 151 CB ASP A 10 -0.147 15.760 -27.166 1.00 64.30 C ATOM 152 CG ASP A 10 1.048 16.223 -27.977 1.00 73.41 C ATOM 153 OD1 ASP A 10 2.192 15.972 -27.544 1.00 34.11 O ATOM 154 OD2 ASP A 10 0.839 16.836 -29.045 1.00 15.54 O ATOM 0 H ASP A 10 -1.589 15.136 -24.905 1.00 63.33 H new ATOM 0 HA ASP A 10 0.746 16.845 -25.540 1.00 71.14 H new ATOM 0 HB2 ASP A 10 -0.083 14.683 -27.012 1.00 64.30 H new ATOM 0 HB3 ASP A 10 -1.060 15.948 -27.730 1.00 64.30 H new ATOM 159 N GLY A 11 -0.709 18.781 -26.336 1.00 31.04 N ATOM 160 CA GLY A 11 -1.547 19.960 -26.453 1.00 2.11 C ATOM 161 C GLY A 11 -2.815 19.694 -27.239 1.00 13.21 C ATOM 162 O GLY A 11 -2.788 19.613 -28.467 1.00 62.24 O ATOM 0 H GLY A 11 0.263 18.916 -26.616 1.00 31.04 H new ATOM 0 HA2 GLY A 11 -1.809 20.316 -25.457 1.00 2.11 H new ATOM 0 HA3 GLY A 11 -0.983 20.756 -26.938 1.00 2.11 H new ATOM 166 N HIS A 12 -3.931 19.557 -26.530 1.00 32.33 N ATOM 167 CA HIS A 12 -5.216 19.297 -27.169 1.00 73.01 C ATOM 168 C HIS A 12 -6.354 19.386 -26.157 1.00 55.10 C ATOM 169 O HIS A 12 -6.301 18.771 -25.091 1.00 50.11 O ATOM 170 CB HIS A 12 -5.212 17.918 -27.829 1.00 61.21 C ATOM 171 CG HIS A 12 -5.018 17.965 -29.314 1.00 33.25 C ATOM 172 ND1 HIS A 12 -4.268 17.037 -30.004 1.00 60.23 N ATOM 173 CD2 HIS A 12 -5.484 18.835 -30.240 1.00 21.20 C ATOM 174 CE1 HIS A 12 -4.279 17.335 -31.291 1.00 70.13 C ATOM 175 NE2 HIS A 12 -5.010 18.422 -31.461 1.00 33.41 N ATOM 0 H HIS A 12 -3.971 19.622 -25.513 1.00 32.33 H new ATOM 0 HA HIS A 12 -5.373 20.057 -27.934 1.00 73.01 H new ATOM 0 HB2 HIS A 12 -4.419 17.315 -27.386 1.00 61.21 H new ATOM 0 HB3 HIS A 12 -6.155 17.417 -27.610 1.00 61.21 H new ATOM 0 HD2 HIS A 12 -6.112 19.694 -30.054 1.00 21.20 H new ATOM 0 HE1 HIS A 12 -3.776 16.784 -32.071 1.00 70.13 H new ATOM 0 HE2 HIS A 12 -5.193 18.880 -32.354 1.00 33.41 H new ATOM 183 N LEU A 13 -7.383 20.156 -26.497 1.00 23.52 N ATOM 184 CA LEU A 13 -8.534 20.326 -25.617 1.00 72.04 C ATOM 185 C LEU A 13 -9.073 18.975 -25.158 1.00 52.00 C ATOM 186 O LEU A 13 -8.806 17.935 -25.761 1.00 14.14 O ATOM 187 CB LEU A 13 -9.635 21.111 -26.333 1.00 33.33 C ATOM 188 CG LEU A 13 -9.767 22.585 -25.948 1.00 72.30 C ATOM 189 CD1 LEU A 13 -8.426 23.291 -26.072 1.00 22.35 C ATOM 190 CD2 LEU A 13 -10.814 23.270 -26.814 1.00 14.25 C ATOM 0 H LEU A 13 -7.443 20.672 -27.375 1.00 23.52 H new ATOM 0 HA LEU A 13 -8.210 20.884 -24.738 1.00 72.04 H new ATOM 0 HB2 LEU A 13 -9.457 21.051 -27.407 1.00 33.33 H new ATOM 0 HB3 LEU A 13 -10.588 20.619 -26.140 1.00 33.33 H new ATOM 0 HG LEU A 13 -10.090 22.642 -24.908 1.00 72.30 H new ATOM 0 HD11 LEU A 13 -8.539 24.339 -25.794 1.00 22.35 H new ATOM 0 HD12 LEU A 13 -7.702 22.816 -25.410 1.00 22.35 H new ATOM 0 HD13 LEU A 13 -8.074 23.225 -27.101 1.00 22.35 H new ATOM 0 HD21 LEU A 13 -10.895 24.318 -26.526 1.00 14.25 H new ATOM 0 HD22 LEU A 13 -10.520 23.203 -27.862 1.00 14.25 H new ATOM 0 HD23 LEU A 13 -11.778 22.780 -26.675 1.00 14.25 H new ATOM 202 N PRO A 14 -9.852 18.989 -24.066 1.00 71.31 N ATOM 203 CA PRO A 14 -10.448 17.773 -23.503 1.00 45.22 C ATOM 204 C PRO A 14 -11.541 17.196 -24.396 1.00 1.31 C ATOM 205 O PRO A 14 -12.035 16.095 -24.155 1.00 41.24 O ATOM 206 CB PRO A 14 -11.039 18.250 -22.174 1.00 45.33 C ATOM 207 CG PRO A 14 -11.294 19.704 -22.374 1.00 3.55 C ATOM 208 CD PRO A 14 -10.212 20.192 -23.297 1.00 60.13 C ATOM 0 HA PRO A 14 -9.716 16.972 -23.397 1.00 45.22 H new ATOM 0 HB2 PRO A 14 -11.959 17.716 -21.935 1.00 45.33 H new ATOM 0 HB3 PRO A 14 -10.348 18.079 -21.349 1.00 45.33 H new ATOM 0 HG2 PRO A 14 -12.280 19.871 -22.807 1.00 3.55 H new ATOM 0 HG3 PRO A 14 -11.267 20.239 -21.425 1.00 3.55 H new ATOM 0 HD2 PRO A 14 -10.568 20.992 -23.946 1.00 60.13 H new ATOM 0 HD3 PRO A 14 -9.359 20.586 -22.744 1.00 60.13 H new ATOM 216 N ALA A 15 -11.914 17.947 -25.427 1.00 40.11 N ATOM 217 CA ALA A 15 -12.947 17.509 -26.357 1.00 72.30 C ATOM 218 C ALA A 15 -12.434 16.394 -27.262 1.00 32.41 C ATOM 219 O ALA A 15 -13.165 15.457 -27.587 1.00 22.14 O ATOM 220 CB ALA A 15 -13.440 18.683 -27.190 1.00 60.52 C ATOM 0 H ALA A 15 -11.516 18.862 -25.639 1.00 40.11 H new ATOM 0 HA ALA A 15 -13.781 17.115 -25.776 1.00 72.30 H new ATOM 0 HB1 ALA A 15 -14.211 18.341 -27.880 1.00 60.52 H new ATOM 0 HB2 ALA A 15 -13.854 19.447 -26.532 1.00 60.52 H new ATOM 0 HB3 ALA A 15 -12.608 19.103 -27.755 1.00 60.52 H new ATOM 226 N THR A 16 -11.173 16.500 -27.668 1.00 4.23 N ATOM 227 CA THR A 16 -10.562 15.502 -28.537 1.00 14.12 C ATOM 228 C THR A 16 -9.137 15.188 -28.097 1.00 70.21 C ATOM 229 O THR A 16 -8.299 14.797 -28.909 1.00 63.15 O ATOM 230 CB THR A 16 -10.543 15.971 -30.004 1.00 33.01 C ATOM 231 OG1 THR A 16 -10.069 14.917 -30.849 1.00 72.30 O ATOM 232 CG2 THR A 16 -9.658 17.197 -30.169 1.00 22.13 C ATOM 0 H THR A 16 -10.554 17.268 -27.409 1.00 4.23 H new ATOM 0 HA THR A 16 -11.170 14.601 -28.459 1.00 14.12 H new ATOM 0 HB THR A 16 -11.561 16.236 -30.291 1.00 33.01 H new ATOM 0 HG1 THR A 16 -9.282 14.500 -30.441 1.00 72.30 H new ATOM 0 HG21 THR A 16 -9.660 17.510 -31.213 1.00 22.13 H new ATOM 0 HG22 THR A 16 -10.039 18.007 -29.547 1.00 22.13 H new ATOM 0 HG23 THR A 16 -8.640 16.954 -29.865 1.00 22.13 H new ATOM 240 N ARG A 17 -8.869 15.360 -26.807 1.00 11.42 N ATOM 241 CA ARG A 17 -7.544 15.095 -26.260 1.00 11.35 C ATOM 242 C ARG A 17 -7.063 13.701 -26.651 1.00 12.10 C ATOM 243 O ARG A 17 -7.861 12.836 -27.013 1.00 12.42 O ATOM 244 CB ARG A 17 -7.562 15.231 -24.736 1.00 3.31 C ATOM 245 CG ARG A 17 -8.278 14.091 -24.031 1.00 11.11 C ATOM 246 CD ARG A 17 -8.987 14.571 -22.774 1.00 23.01 C ATOM 247 NE ARG A 17 -9.164 13.496 -21.801 1.00 71.14 N ATOM 248 CZ ARG A 17 -9.489 13.701 -20.530 1.00 55.40 C ATOM 249 NH1 ARG A 17 -9.672 14.935 -20.080 1.00 54.11 N ATOM 250 NH2 ARG A 17 -9.633 12.671 -19.706 1.00 10.41 N ATOM 0 H ARG A 17 -9.552 15.682 -26.121 1.00 11.42 H new ATOM 0 HA ARG A 17 -6.853 15.829 -26.676 1.00 11.35 H new ATOM 0 HB2 ARG A 17 -6.536 15.284 -24.372 1.00 3.31 H new ATOM 0 HB3 ARG A 17 -8.044 16.172 -24.469 1.00 3.31 H new ATOM 0 HG2 ARG A 17 -9.003 13.640 -24.709 1.00 11.11 H new ATOM 0 HG3 ARG A 17 -7.559 13.314 -23.770 1.00 11.11 H new ATOM 0 HD2 ARG A 17 -8.413 15.379 -22.321 1.00 23.01 H new ATOM 0 HD3 ARG A 17 -9.961 14.982 -23.041 1.00 23.01 H new ATOM 0 HE ARG A 17 -9.031 12.535 -22.115 1.00 71.14 H new ATOM 0 HH11 ARG A 17 -9.563 15.729 -20.711 1.00 54.11 H new ATOM 0 HH12 ARG A 17 -9.922 15.090 -19.103 1.00 54.11 H new ATOM 0 HH21 ARG A 17 -9.494 11.720 -20.049 1.00 10.41 H new ATOM 0 HH22 ARG A 17 -9.883 12.830 -18.730 1.00 10.41 H new ATOM 264 N VAL A 18 -5.753 13.490 -26.576 1.00 42.04 N ATOM 265 CA VAL A 18 -5.165 12.201 -26.922 1.00 52.31 C ATOM 266 C VAL A 18 -3.980 11.878 -26.020 1.00 2.04 C ATOM 267 O VAL A 18 -3.080 12.700 -25.840 1.00 20.23 O ATOM 268 CB VAL A 18 -4.701 12.172 -28.391 1.00 34.34 C ATOM 269 CG1 VAL A 18 -4.202 10.785 -28.765 1.00 63.21 C ATOM 270 CG2 VAL A 18 -5.829 12.609 -29.314 1.00 22.52 C ATOM 0 H VAL A 18 -5.078 14.195 -26.279 1.00 42.04 H new ATOM 0 HA VAL A 18 -5.942 11.450 -26.779 1.00 52.31 H new ATOM 0 HB VAL A 18 -3.875 12.873 -28.508 1.00 34.34 H new ATOM 0 HG11 VAL A 18 -3.878 10.783 -29.806 1.00 63.21 H new ATOM 0 HG12 VAL A 18 -3.363 10.515 -28.124 1.00 63.21 H new ATOM 0 HG13 VAL A 18 -5.006 10.061 -28.634 1.00 63.21 H new ATOM 0 HG21 VAL A 18 -5.484 12.583 -30.348 1.00 22.52 H new ATOM 0 HG22 VAL A 18 -6.677 11.934 -29.197 1.00 22.52 H new ATOM 0 HG23 VAL A 18 -6.135 13.624 -29.059 1.00 22.52 H new ATOM 280 N LEU A 19 -3.984 10.676 -25.454 1.00 74.12 N ATOM 281 CA LEU A 19 -2.908 10.242 -24.570 1.00 15.33 C ATOM 282 C LEU A 19 -1.676 9.835 -25.371 1.00 2.25 C ATOM 283 O LEU A 19 -1.784 9.173 -26.404 1.00 11.43 O ATOM 284 CB LEU A 19 -3.376 9.073 -23.701 1.00 64.23 C ATOM 285 CG LEU A 19 -2.530 8.777 -22.462 1.00 50.31 C ATOM 286 CD1 LEU A 19 -3.409 8.294 -21.319 1.00 61.30 C ATOM 287 CD2 LEU A 19 -1.455 7.749 -22.783 1.00 32.13 C ATOM 0 H LEU A 19 -4.721 9.984 -25.592 1.00 74.12 H new ATOM 0 HA LEU A 19 -2.639 11.080 -23.927 1.00 15.33 H new ATOM 0 HB2 LEU A 19 -4.398 9.272 -23.379 1.00 64.23 H new ATOM 0 HB3 LEU A 19 -3.405 8.176 -24.319 1.00 64.23 H new ATOM 0 HG LEU A 19 -2.040 9.700 -22.151 1.00 50.31 H new ATOM 0 HD11 LEU A 19 -2.790 8.088 -20.446 1.00 61.30 H new ATOM 0 HD12 LEU A 19 -4.140 9.064 -21.072 1.00 61.30 H new ATOM 0 HD13 LEU A 19 -3.928 7.383 -21.619 1.00 61.30 H new ATOM 0 HD21 LEU A 19 -0.863 7.551 -21.890 1.00 32.13 H new ATOM 0 HD22 LEU A 19 -1.924 6.825 -23.120 1.00 32.13 H new ATOM 0 HD23 LEU A 19 -0.807 8.134 -23.570 1.00 32.13 H new ATOM 299 N LEU A 20 -0.504 10.233 -24.886 1.00 54.04 N ATOM 300 CA LEU A 20 0.750 9.908 -25.556 1.00 23.32 C ATOM 301 C LEU A 20 1.183 8.480 -25.237 1.00 42.24 C ATOM 302 O LEU A 20 1.274 7.636 -26.128 1.00 32.42 O ATOM 303 CB LEU A 20 1.845 10.890 -25.136 1.00 12.42 C ATOM 304 CG LEU A 20 1.580 12.364 -25.449 1.00 25.50 C ATOM 305 CD1 LEU A 20 2.530 13.255 -24.663 1.00 73.14 C ATOM 306 CD2 LEU A 20 1.715 12.624 -26.942 1.00 75.33 C ATOM 0 H LEU A 20 -0.397 10.781 -24.032 1.00 54.04 H new ATOM 0 HA LEU A 20 0.591 9.989 -26.631 1.00 23.32 H new ATOM 0 HB2 LEU A 20 2.003 10.790 -24.062 1.00 12.42 H new ATOM 0 HB3 LEU A 20 2.775 10.597 -25.624 1.00 12.42 H new ATOM 0 HG LEU A 20 0.559 12.602 -25.150 1.00 25.50 H new ATOM 0 HD11 LEU A 20 2.327 14.300 -24.898 1.00 73.14 H new ATOM 0 HD12 LEU A 20 2.386 13.089 -23.596 1.00 73.14 H new ATOM 0 HD13 LEU A 20 3.559 13.016 -24.931 1.00 73.14 H new ATOM 0 HD21 LEU A 20 1.523 13.677 -27.147 1.00 75.33 H new ATOM 0 HD22 LEU A 20 2.724 12.369 -27.266 1.00 75.33 H new ATOM 0 HD23 LEU A 20 0.994 12.012 -27.485 1.00 75.33 H new ATOM 318 N MET A 21 1.447 8.218 -23.962 1.00 3.15 N ATOM 319 CA MET A 21 1.867 6.891 -23.525 1.00 42.44 C ATOM 320 C MET A 21 2.085 6.859 -22.016 1.00 43.00 C ATOM 321 O MET A 21 2.339 7.891 -21.394 1.00 35.35 O ATOM 322 CB MET A 21 3.151 6.476 -24.247 1.00 11.51 C ATOM 323 CG MET A 21 3.074 5.095 -24.877 1.00 43.44 C ATOM 324 SD MET A 21 4.479 4.053 -24.439 1.00 34.12 S ATOM 325 CE MET A 21 3.949 2.476 -25.102 1.00 64.52 C ATOM 0 H MET A 21 1.378 8.907 -23.213 1.00 3.15 H new ATOM 0 HA MET A 21 1.074 6.186 -23.774 1.00 42.44 H new ATOM 0 HB2 MET A 21 3.375 7.208 -25.023 1.00 11.51 H new ATOM 0 HB3 MET A 21 3.980 6.498 -23.539 1.00 11.51 H new ATOM 0 HG2 MET A 21 2.152 4.607 -24.561 1.00 43.44 H new ATOM 0 HG3 MET A 21 3.026 5.197 -25.961 1.00 43.44 H new ATOM 0 HE1 MET A 21 4.715 1.725 -24.910 1.00 64.52 H new ATOM 0 HE2 MET A 21 3.017 2.175 -24.624 1.00 64.52 H new ATOM 0 HE3 MET A 21 3.792 2.567 -26.177 1.00 64.52 H new ATOM 335 N TYR A 22 1.985 5.669 -21.434 1.00 2.32 N ATOM 336 CA TYR A 22 2.169 5.504 -19.997 1.00 31.31 C ATOM 337 C TYR A 22 3.634 5.239 -19.662 1.00 35.32 C ATOM 338 O TYR A 22 4.265 4.355 -20.241 1.00 61.02 O ATOM 339 CB TYR A 22 1.300 4.356 -19.479 1.00 40.23 C ATOM 340 CG TYR A 22 -0.170 4.700 -19.395 1.00 1.24 C ATOM 341 CD1 TYR A 22 -0.958 4.755 -20.537 1.00 41.45 C ATOM 342 CD2 TYR A 22 -0.771 4.969 -18.171 1.00 1.11 C ATOM 343 CE1 TYR A 22 -2.301 5.070 -20.465 1.00 1.14 C ATOM 344 CE2 TYR A 22 -2.114 5.283 -18.088 1.00 43.23 C ATOM 345 CZ TYR A 22 -2.874 5.333 -19.238 1.00 33.01 C ATOM 346 OH TYR A 22 -4.212 5.645 -19.161 1.00 12.41 O ATOM 0 H TYR A 22 1.778 4.805 -21.935 1.00 2.32 H new ATOM 0 HA TYR A 22 1.865 6.430 -19.509 1.00 31.31 H new ATOM 0 HB2 TYR A 22 1.426 3.493 -20.132 1.00 40.23 H new ATOM 0 HB3 TYR A 22 1.653 4.062 -18.491 1.00 40.23 H new ATOM 0 HD1 TYR A 22 -0.513 4.548 -21.499 1.00 41.45 H new ATOM 0 HD2 TYR A 22 -0.178 4.932 -17.269 1.00 1.11 H new ATOM 0 HE1 TYR A 22 -2.899 5.110 -21.364 1.00 1.14 H new ATOM 0 HE2 TYR A 22 -2.566 5.488 -17.129 1.00 43.23 H new ATOM 0 HH TYR A 22 -4.458 5.801 -18.225 1.00 12.41 H new ATOM 356 N VAL A 23 4.168 6.011 -18.721 1.00 53.21 N ATOM 357 CA VAL A 23 5.557 5.860 -18.306 1.00 2.21 C ATOM 358 C VAL A 23 5.655 5.147 -16.962 1.00 71.33 C ATOM 359 O VAL A 23 5.284 5.699 -15.926 1.00 45.02 O ATOM 360 CB VAL A 23 6.264 7.225 -18.203 1.00 15.14 C ATOM 361 CG1 VAL A 23 7.725 7.043 -17.822 1.00 71.20 C ATOM 362 CG2 VAL A 23 6.136 7.991 -19.511 1.00 22.22 C ATOM 0 H VAL A 23 3.659 6.747 -18.232 1.00 53.21 H new ATOM 0 HA VAL A 23 6.052 5.260 -19.070 1.00 2.21 H new ATOM 0 HB VAL A 23 5.780 7.807 -17.419 1.00 15.14 H new ATOM 0 HG11 VAL A 23 8.208 8.018 -17.754 1.00 71.20 H new ATOM 0 HG12 VAL A 23 7.789 6.538 -16.858 1.00 71.20 H new ATOM 0 HG13 VAL A 23 8.227 6.442 -18.580 1.00 71.20 H new ATOM 0 HG21 VAL A 23 6.641 8.953 -19.420 1.00 22.22 H new ATOM 0 HG22 VAL A 23 6.593 7.415 -20.316 1.00 22.22 H new ATOM 0 HG23 VAL A 23 5.082 8.154 -19.735 1.00 22.22 H new ATOM 372 N ARG A 24 6.156 3.916 -16.987 1.00 44.20 N ATOM 373 CA ARG A 24 6.302 3.126 -15.771 1.00 4.05 C ATOM 374 C ARG A 24 7.414 3.686 -14.889 1.00 4.35 C ATOM 375 O ARG A 24 8.463 4.100 -15.383 1.00 42.44 O ATOM 376 CB ARG A 24 6.599 1.666 -16.118 1.00 0.02 C ATOM 377 CG ARG A 24 5.639 1.075 -17.137 1.00 54.20 C ATOM 378 CD ARG A 24 5.807 -0.432 -17.253 1.00 44.44 C ATOM 379 NE ARG A 24 6.274 -0.829 -18.579 1.00 23.42 N ATOM 380 CZ ARG A 24 6.265 -2.084 -19.015 1.00 44.12 C ATOM 381 NH1 ARG A 24 5.815 -3.057 -18.236 1.00 24.45 N ATOM 382 NH2 ARG A 24 6.707 -2.367 -20.234 1.00 52.22 N ATOM 0 H ARG A 24 6.467 3.445 -17.836 1.00 44.20 H new ATOM 0 HA ARG A 24 5.363 3.178 -15.220 1.00 4.05 H new ATOM 0 HB2 ARG A 24 7.616 1.593 -16.504 1.00 0.02 H new ATOM 0 HB3 ARG A 24 6.560 1.070 -15.206 1.00 0.02 H new ATOM 0 HG2 ARG A 24 4.614 1.307 -16.849 1.00 54.20 H new ATOM 0 HG3 ARG A 24 5.809 1.537 -18.109 1.00 54.20 H new ATOM 0 HD2 ARG A 24 6.516 -0.777 -16.500 1.00 44.44 H new ATOM 0 HD3 ARG A 24 4.856 -0.920 -17.042 1.00 44.44 H new ATOM 0 HE ARG A 24 6.626 -0.104 -19.204 1.00 23.42 H new ATOM 0 HH11 ARG A 24 5.474 -2.843 -17.299 1.00 24.45 H new ATOM 0 HH12 ARG A 24 5.809 -4.019 -18.574 1.00 24.45 H new ATOM 0 HH21 ARG A 24 7.054 -1.621 -20.837 1.00 52.22 H new ATOM 0 HH22 ARG A 24 6.700 -3.331 -20.568 1.00 52.22 H new ATOM 396 N ILE A 25 7.177 3.696 -13.581 1.00 42.22 N ATOM 397 CA ILE A 25 8.159 4.205 -12.631 1.00 74.11 C ATOM 398 C ILE A 25 9.218 3.153 -12.319 1.00 11.31 C ATOM 399 O ILE A 25 9.425 2.790 -11.162 1.00 3.51 O ATOM 400 CB ILE A 25 7.491 4.651 -11.317 1.00 21.02 C ATOM 401 CG1 ILE A 25 6.251 5.498 -11.611 1.00 21.41 C ATOM 402 CG2 ILE A 25 8.478 5.428 -10.459 1.00 23.14 C ATOM 403 CD1 ILE A 25 5.527 5.961 -10.366 1.00 75.43 C ATOM 0 H ILE A 25 6.314 3.358 -13.155 1.00 42.22 H new ATOM 0 HA ILE A 25 8.634 5.067 -13.099 1.00 74.11 H new ATOM 0 HB ILE A 25 7.179 3.764 -10.766 1.00 21.02 H new ATOM 0 HG12 ILE A 25 6.546 6.370 -12.195 1.00 21.41 H new ATOM 0 HG13 ILE A 25 5.563 4.919 -12.228 1.00 21.41 H new ATOM 0 HG21 ILE A 25 7.991 5.737 -9.534 1.00 23.14 H new ATOM 0 HG22 ILE A 25 9.334 4.795 -10.225 1.00 23.14 H new ATOM 0 HG23 ILE A 25 8.817 6.310 -11.002 1.00 23.14 H new ATOM 0 HD11 ILE A 25 4.659 6.556 -10.650 1.00 75.43 H new ATOM 0 HD12 ILE A 25 5.201 5.094 -9.791 1.00 75.43 H new ATOM 0 HD13 ILE A 25 6.199 6.567 -9.758 1.00 75.43 H new ATOM 415 N GLY A 26 9.888 2.668 -13.360 1.00 54.22 N ATOM 416 CA GLY A 26 10.919 1.664 -13.176 1.00 41.12 C ATOM 417 C GLY A 26 12.230 2.053 -13.830 1.00 3.44 C ATOM 418 O GLY A 26 13.305 1.719 -13.331 1.00 24.31 O ATOM 0 H GLY A 26 9.735 2.953 -14.327 1.00 54.22 H new ATOM 0 HA2 GLY A 26 11.081 1.505 -12.110 1.00 41.12 H new ATOM 0 HA3 GLY A 26 10.577 0.716 -13.591 1.00 41.12 H new ATOM 422 N THR A 27 12.144 2.762 -14.951 1.00 75.12 N ATOM 423 CA THR A 27 13.332 3.195 -15.676 1.00 33.33 C ATOM 424 C THR A 27 13.062 4.474 -16.459 1.00 5.51 C ATOM 425 O THR A 27 11.929 4.952 -16.519 1.00 73.31 O ATOM 426 CB THR A 27 13.825 2.106 -16.647 1.00 71.13 C ATOM 427 OG1 THR A 27 15.104 2.468 -17.180 1.00 72.32 O ATOM 428 CG2 THR A 27 12.834 1.906 -17.784 1.00 41.23 C ATOM 0 H THR A 27 11.263 3.049 -15.377 1.00 75.12 H new ATOM 0 HA THR A 27 14.105 3.385 -14.932 1.00 33.33 H new ATOM 0 HB THR A 27 13.914 1.170 -16.095 1.00 71.13 H new ATOM 0 HG1 THR A 27 15.412 1.770 -17.795 1.00 72.32 H new ATOM 0 HG21 THR A 27 13.204 1.132 -18.457 1.00 41.23 H new ATOM 0 HG22 THR A 27 11.870 1.602 -17.377 1.00 41.23 H new ATOM 0 HG23 THR A 27 12.718 2.840 -18.334 1.00 41.23 H new ATOM 436 N THR A 28 14.112 5.027 -17.059 1.00 51.34 N ATOM 437 CA THR A 28 13.989 6.253 -17.839 1.00 34.41 C ATOM 438 C THR A 28 13.846 5.947 -19.325 1.00 73.54 C ATOM 439 O THR A 28 14.682 5.259 -19.910 1.00 73.43 O ATOM 440 CB THR A 28 15.204 7.175 -17.631 1.00 3.40 C ATOM 441 OG1 THR A 28 16.417 6.445 -17.850 1.00 14.40 O ATOM 442 CG2 THR A 28 15.206 7.761 -16.227 1.00 35.21 C ATOM 0 H THR A 28 15.057 4.645 -17.020 1.00 51.34 H new ATOM 0 HA THR A 28 13.092 6.762 -17.488 1.00 34.41 H new ATOM 0 HB THR A 28 15.138 7.993 -18.349 1.00 3.40 H new ATOM 0 HG1 THR A 28 16.270 5.765 -18.540 1.00 14.40 H new ATOM 0 HG21 THR A 28 16.074 8.409 -16.104 1.00 35.21 H new ATOM 0 HG22 THR A 28 14.296 8.341 -16.073 1.00 35.21 H new ATOM 0 HG23 THR A 28 15.250 6.954 -15.496 1.00 35.21 H new ATOM 450 N ALA A 29 12.781 6.462 -19.931 1.00 43.43 N ATOM 451 CA ALA A 29 12.531 6.246 -21.351 1.00 13.22 C ATOM 452 C ALA A 29 12.233 7.562 -22.062 1.00 64.35 C ATOM 453 O ALA A 29 12.125 8.612 -21.429 1.00 0.20 O ATOM 454 CB ALA A 29 11.380 5.269 -21.541 1.00 12.22 C ATOM 0 H ALA A 29 12.078 7.032 -19.461 1.00 43.43 H new ATOM 0 HA ALA A 29 13.432 5.820 -21.793 1.00 13.22 H new ATOM 0 HB1 ALA A 29 11.204 5.117 -22.606 1.00 12.22 H new ATOM 0 HB2 ALA A 29 11.631 4.316 -21.075 1.00 12.22 H new ATOM 0 HB3 ALA A 29 10.480 5.673 -21.079 1.00 12.22 H new ATOM 460 N THR A 30 12.103 7.498 -23.384 1.00 40.10 N ATOM 461 CA THR A 30 11.820 8.684 -24.182 1.00 42.31 C ATOM 462 C THR A 30 10.430 8.611 -24.802 1.00 54.13 C ATOM 463 O THR A 30 9.949 7.530 -25.146 1.00 2.54 O ATOM 464 CB THR A 30 12.861 8.869 -25.303 1.00 33.42 C ATOM 465 OG1 THR A 30 14.008 8.051 -25.046 1.00 33.23 O ATOM 466 CG2 THR A 30 13.285 10.325 -25.413 1.00 53.43 C ATOM 0 H THR A 30 12.189 6.637 -23.924 1.00 40.10 H new ATOM 0 HA THR A 30 11.869 9.538 -23.506 1.00 42.31 H new ATOM 0 HB THR A 30 12.404 8.568 -26.246 1.00 33.42 H new ATOM 0 HG1 THR A 30 14.664 8.173 -25.764 1.00 33.23 H new ATOM 0 HG21 THR A 30 14.020 10.431 -26.211 1.00 53.43 H new ATOM 0 HG22 THR A 30 12.415 10.941 -25.638 1.00 53.43 H new ATOM 0 HG23 THR A 30 13.725 10.648 -24.469 1.00 53.43 H new ATOM 474 N ILE A 31 9.788 9.766 -24.944 1.00 4.23 N ATOM 475 CA ILE A 31 8.453 9.832 -25.525 1.00 22.03 C ATOM 476 C ILE A 31 8.450 10.663 -26.803 1.00 64.03 C ATOM 477 O ILE A 31 8.898 11.810 -26.813 1.00 13.41 O ATOM 478 CB ILE A 31 7.437 10.431 -24.534 1.00 61.13 C ATOM 479 CG1 ILE A 31 7.397 9.603 -23.248 1.00 3.41 C ATOM 480 CG2 ILE A 31 6.056 10.500 -25.169 1.00 63.12 C ATOM 481 CD1 ILE A 31 6.727 10.314 -22.093 1.00 73.21 C ATOM 0 H ILE A 31 10.171 10.669 -24.664 1.00 4.23 H new ATOM 0 HA ILE A 31 8.160 8.809 -25.759 1.00 22.03 H new ATOM 0 HB ILE A 31 7.751 11.444 -24.282 1.00 61.13 H new ATOM 0 HG12 ILE A 31 6.871 8.668 -23.443 1.00 3.41 H new ATOM 0 HG13 ILE A 31 8.416 9.342 -22.962 1.00 3.41 H new ATOM 0 HG21 ILE A 31 5.349 10.925 -24.457 1.00 63.12 H new ATOM 0 HG22 ILE A 31 6.096 11.127 -26.059 1.00 63.12 H new ATOM 0 HG23 ILE A 31 5.733 9.497 -25.446 1.00 63.12 H new ATOM 0 HD11 ILE A 31 6.735 9.668 -21.215 1.00 73.21 H new ATOM 0 HD12 ILE A 31 7.266 11.235 -21.871 1.00 73.21 H new ATOM 0 HD13 ILE A 31 5.697 10.551 -22.360 1.00 73.21 H new ATOM 493 N THR A 32 7.941 10.077 -27.883 1.00 25.24 N ATOM 494 CA THR A 32 7.879 10.763 -29.167 1.00 62.51 C ATOM 495 C THR A 32 6.517 11.413 -29.378 1.00 34.41 C ATOM 496 O THR A 32 5.489 10.735 -29.384 1.00 64.11 O ATOM 497 CB THR A 32 8.161 9.797 -30.334 1.00 34.23 C ATOM 498 OG1 THR A 32 9.337 9.028 -30.060 1.00 62.12 O ATOM 499 CG2 THR A 32 8.339 10.560 -31.637 1.00 42.32 C ATOM 0 H THR A 32 7.566 9.129 -27.893 1.00 25.24 H new ATOM 0 HA THR A 32 8.648 11.535 -29.150 1.00 62.51 H new ATOM 0 HB THR A 32 7.307 9.128 -30.438 1.00 34.23 H new ATOM 0 HG1 THR A 32 9.508 8.415 -30.806 1.00 62.12 H new ATOM 0 HG21 THR A 32 8.537 9.857 -32.446 1.00 42.32 H new ATOM 0 HG22 THR A 32 7.431 11.120 -31.857 1.00 42.32 H new ATOM 0 HG23 THR A 32 9.177 11.250 -31.543 1.00 42.32 H new ATOM 507 N ALA A 33 6.515 12.730 -29.551 1.00 2.31 N ATOM 508 CA ALA A 33 5.278 13.471 -29.765 1.00 4.32 C ATOM 509 C ALA A 33 5.529 14.732 -30.586 1.00 33.23 C ATOM 510 O ALA A 33 6.456 15.492 -30.306 1.00 61.25 O ATOM 511 CB ALA A 33 4.638 13.826 -28.431 1.00 3.21 C ATOM 0 H ALA A 33 7.357 13.306 -29.547 1.00 2.31 H new ATOM 0 HA ALA A 33 4.594 12.834 -30.325 1.00 4.32 H new ATOM 0 HB1 ALA A 33 3.715 14.379 -28.606 1.00 3.21 H new ATOM 0 HB2 ALA A 33 4.415 12.912 -27.880 1.00 3.21 H new ATOM 0 HB3 ALA A 33 5.325 14.441 -27.850 1.00 3.21 H new ATOM 517 N ARG A 34 4.697 14.947 -31.599 1.00 54.24 N ATOM 518 CA ARG A 34 4.829 16.115 -32.462 1.00 64.00 C ATOM 519 C ARG A 34 6.241 16.211 -33.034 1.00 30.15 C ATOM 520 O ARG A 34 6.884 17.257 -32.954 1.00 22.43 O ATOM 521 CB ARG A 34 4.494 17.390 -31.686 1.00 23.24 C ATOM 522 CG ARG A 34 3.004 17.600 -31.474 1.00 52.02 C ATOM 523 CD ARG A 34 2.676 19.067 -31.242 1.00 75.41 C ATOM 524 NE ARG A 34 1.949 19.650 -32.367 1.00 65.32 N ATOM 525 CZ ARG A 34 1.286 20.799 -32.298 1.00 23.53 C ATOM 526 NH1 ARG A 34 1.258 21.484 -31.163 1.00 61.02 N ATOM 527 NH2 ARG A 34 0.650 21.264 -33.365 1.00 11.21 N ATOM 0 H ARG A 34 3.924 14.328 -31.843 1.00 54.24 H new ATOM 0 HA ARG A 34 4.127 16.006 -33.288 1.00 64.00 H new ATOM 0 HB2 ARG A 34 4.989 17.355 -30.716 1.00 23.24 H new ATOM 0 HB3 ARG A 34 4.901 18.248 -32.221 1.00 23.24 H new ATOM 0 HG2 ARG A 34 2.457 17.237 -32.344 1.00 52.02 H new ATOM 0 HG3 ARG A 34 2.670 17.012 -30.619 1.00 52.02 H new ATOM 0 HD2 ARG A 34 2.080 19.166 -30.335 1.00 75.41 H new ATOM 0 HD3 ARG A 34 3.599 19.624 -31.079 1.00 75.41 H new ATOM 0 HE ARG A 34 1.951 19.147 -33.254 1.00 65.32 H new ATOM 0 HH11 ARG A 34 1.746 21.129 -30.341 1.00 61.02 H new ATOM 0 HH12 ARG A 34 0.748 22.366 -31.112 1.00 61.02 H new ATOM 0 HH21 ARG A 34 0.670 20.739 -34.239 1.00 11.21 H new ATOM 0 HH22 ARG A 34 0.141 22.146 -33.311 1.00 11.21 H new ATOM 541 N GLY A 35 6.717 15.111 -33.610 1.00 12.21 N ATOM 542 CA GLY A 35 8.049 15.092 -34.186 1.00 11.35 C ATOM 543 C GLY A 35 9.110 15.551 -33.206 1.00 4.33 C ATOM 544 O GLY A 35 10.158 16.059 -33.607 1.00 10.52 O ATOM 0 H GLY A 35 6.204 14.233 -33.688 1.00 12.21 H new ATOM 0 HA2 GLY A 35 8.282 14.082 -34.522 1.00 11.35 H new ATOM 0 HA3 GLY A 35 8.070 15.734 -35.067 1.00 11.35 H new ATOM 548 N HIS A 36 8.840 15.374 -31.916 1.00 71.13 N ATOM 549 CA HIS A 36 9.780 15.775 -30.876 1.00 20.13 C ATOM 550 C HIS A 36 9.921 14.682 -29.820 1.00 52.14 C ATOM 551 O HIS A 36 8.930 14.095 -29.386 1.00 64.14 O ATOM 552 CB HIS A 36 9.322 17.078 -30.220 1.00 21.34 C ATOM 553 CG HIS A 36 9.908 18.304 -30.850 1.00 33.24 C ATOM 554 ND1 HIS A 36 9.435 18.844 -32.027 1.00 12.12 N ATOM 555 CD2 HIS A 36 10.933 19.097 -30.459 1.00 33.35 C ATOM 556 CE1 HIS A 36 10.145 19.915 -32.333 1.00 54.35 C ATOM 557 NE2 HIS A 36 11.060 20.091 -31.397 1.00 72.45 N ATOM 0 H HIS A 36 7.978 14.956 -31.567 1.00 71.13 H new ATOM 0 HA HIS A 36 10.753 15.934 -31.341 1.00 20.13 H new ATOM 0 HB2 HIS A 36 8.235 17.138 -30.270 1.00 21.34 H new ATOM 0 HB3 HIS A 36 9.592 17.058 -29.164 1.00 21.34 H new ATOM 0 HD1 HIS A 36 8.659 18.474 -32.576 1.00 12.12 H new ATOM 0 HD2 HIS A 36 11.538 18.971 -29.574 1.00 33.35 H new ATOM 0 HE1 HIS A 36 10.002 20.541 -33.201 1.00 54.35 H new ATOM 565 N GLU A 37 11.158 14.415 -29.413 1.00 72.13 N ATOM 566 CA GLU A 37 11.427 13.391 -28.410 1.00 52.31 C ATOM 567 C GLU A 37 11.656 14.020 -27.039 1.00 3.41 C ATOM 568 O GLU A 37 12.497 14.906 -26.883 1.00 2.13 O ATOM 569 CB GLU A 37 12.647 12.560 -28.812 1.00 75.44 C ATOM 570 CG GLU A 37 13.935 13.362 -28.879 1.00 61.13 C ATOM 571 CD GLU A 37 14.938 12.774 -29.853 1.00 3.32 C ATOM 572 OE1 GLU A 37 14.695 12.852 -31.075 1.00 62.41 O ATOM 573 OE2 GLU A 37 15.967 12.237 -29.391 1.00 41.14 O ATOM 0 H GLU A 37 11.989 14.893 -29.762 1.00 72.13 H new ATOM 0 HA GLU A 37 10.556 12.739 -28.351 1.00 52.31 H new ATOM 0 HB2 GLU A 37 12.773 11.746 -28.098 1.00 75.44 H new ATOM 0 HB3 GLU A 37 12.461 12.105 -29.785 1.00 75.44 H new ATOM 0 HG2 GLU A 37 13.706 14.386 -29.173 1.00 61.13 H new ATOM 0 HG3 GLU A 37 14.382 13.408 -27.886 1.00 61.13 H new ATOM 580 N PHE A 38 10.902 13.557 -26.048 1.00 70.40 N ATOM 581 CA PHE A 38 11.021 14.074 -24.690 1.00 0.11 C ATOM 582 C PHE A 38 11.416 12.966 -23.718 1.00 60.23 C ATOM 583 O PHE A 38 10.638 12.049 -23.458 1.00 32.04 O ATOM 584 CB PHE A 38 9.702 14.710 -24.246 1.00 41.54 C ATOM 585 CG PHE A 38 9.138 15.680 -25.246 1.00 24.14 C ATOM 586 CD1 PHE A 38 9.715 16.927 -25.422 1.00 1.43 C ATOM 587 CD2 PHE A 38 8.032 15.343 -26.009 1.00 43.52 C ATOM 588 CE1 PHE A 38 9.198 17.821 -26.340 1.00 12.51 C ATOM 589 CE2 PHE A 38 7.511 16.233 -26.929 1.00 52.34 C ATOM 590 CZ PHE A 38 8.095 17.474 -27.096 1.00 22.44 C ATOM 0 H PHE A 38 10.201 12.824 -26.160 1.00 70.40 H new ATOM 0 HA PHE A 38 11.803 14.833 -24.685 1.00 0.11 H new ATOM 0 HB2 PHE A 38 8.971 13.922 -24.064 1.00 41.54 H new ATOM 0 HB3 PHE A 38 9.857 15.226 -23.299 1.00 41.54 H new ATOM 0 HD1 PHE A 38 10.578 17.204 -24.835 1.00 1.43 H new ATOM 0 HD2 PHE A 38 7.572 14.374 -25.884 1.00 43.52 H new ATOM 0 HE1 PHE A 38 9.656 18.791 -26.466 1.00 12.51 H new ATOM 0 HE2 PHE A 38 6.648 15.959 -27.517 1.00 52.34 H new ATOM 0 HZ PHE A 38 7.690 18.171 -27.815 1.00 22.44 H new ATOM 600 N GLU A 39 12.631 13.058 -23.187 1.00 0.13 N ATOM 601 CA GLU A 39 13.130 12.063 -22.245 1.00 71.43 C ATOM 602 C GLU A 39 12.795 12.456 -20.809 1.00 44.03 C ATOM 603 O GLU A 39 13.448 13.319 -20.222 1.00 22.10 O ATOM 604 CB GLU A 39 14.643 11.895 -22.400 1.00 72.44 C ATOM 605 CG GLU A 39 15.133 10.488 -22.101 1.00 31.11 C ATOM 606 CD GLU A 39 16.640 10.360 -22.208 1.00 1.02 C ATOM 607 OE1 GLU A 39 17.252 11.150 -22.956 1.00 55.54 O ATOM 608 OE2 GLU A 39 17.208 9.469 -21.542 1.00 31.11 O ATOM 0 H GLU A 39 13.288 13.811 -23.393 1.00 0.13 H new ATOM 0 HA GLU A 39 12.642 11.114 -22.466 1.00 71.43 H new ATOM 0 HB2 GLU A 39 14.927 12.161 -23.418 1.00 72.44 H new ATOM 0 HB3 GLU A 39 15.148 12.596 -21.735 1.00 72.44 H new ATOM 0 HG2 GLU A 39 14.818 10.203 -21.097 1.00 31.11 H new ATOM 0 HG3 GLU A 39 14.663 9.789 -22.793 1.00 31.11 H new ATOM 615 N VAL A 40 11.773 11.817 -20.250 1.00 12.12 N ATOM 616 CA VAL A 40 11.351 12.099 -18.883 1.00 32.11 C ATOM 617 C VAL A 40 11.918 11.072 -17.910 1.00 23.33 C ATOM 618 O VAL A 40 12.465 10.049 -18.321 1.00 74.21 O ATOM 619 CB VAL A 40 9.815 12.112 -18.761 1.00 25.01 C ATOM 620 CG1 VAL A 40 9.225 13.257 -19.569 1.00 41.24 C ATOM 621 CG2 VAL A 40 9.235 10.779 -19.207 1.00 34.30 C ATOM 0 H VAL A 40 11.222 11.101 -20.722 1.00 12.12 H new ATOM 0 HA VAL A 40 11.737 13.087 -18.630 1.00 32.11 H new ATOM 0 HB VAL A 40 9.552 12.265 -17.714 1.00 25.01 H new ATOM 0 HG11 VAL A 40 8.139 13.250 -19.471 1.00 41.24 H new ATOM 0 HG12 VAL A 40 9.617 14.204 -19.198 1.00 41.24 H new ATOM 0 HG13 VAL A 40 9.495 13.139 -20.618 1.00 41.24 H new ATOM 0 HG21 VAL A 40 8.149 10.805 -19.114 1.00 34.30 H new ATOM 0 HG22 VAL A 40 9.506 10.594 -20.246 1.00 34.30 H new ATOM 0 HG23 VAL A 40 9.633 9.981 -18.580 1.00 34.30 H new ATOM 631 N GLU A 41 11.784 11.352 -16.617 1.00 62.11 N ATOM 632 CA GLU A 41 12.284 10.451 -15.585 1.00 44.41 C ATOM 633 C GLU A 41 11.231 10.224 -14.504 1.00 63.25 C ATOM 634 O GLU A 41 10.755 11.170 -13.878 1.00 72.03 O ATOM 635 CB GLU A 41 13.560 11.017 -14.958 1.00 44.11 C ATOM 636 CG GLU A 41 14.034 10.244 -13.739 1.00 63.42 C ATOM 637 CD GLU A 41 15.439 10.625 -13.316 1.00 4.31 C ATOM 638 OE1 GLU A 41 16.001 11.571 -13.907 1.00 2.25 O ATOM 639 OE2 GLU A 41 15.977 9.978 -12.393 1.00 70.43 O ATOM 0 H GLU A 41 11.334 12.195 -16.260 1.00 62.11 H new ATOM 0 HA GLU A 41 12.511 9.493 -16.054 1.00 44.41 H new ATOM 0 HB2 GLU A 41 14.352 11.020 -15.707 1.00 44.11 H new ATOM 0 HB3 GLU A 41 13.386 12.055 -14.674 1.00 44.11 H new ATOM 0 HG2 GLU A 41 13.348 10.423 -12.911 1.00 63.42 H new ATOM 0 HG3 GLU A 41 14.001 9.176 -13.955 1.00 63.42 H new ATOM 646 N ALA A 42 10.873 8.962 -14.292 1.00 73.25 N ATOM 647 CA ALA A 42 9.878 8.609 -13.287 1.00 73.15 C ATOM 648 C ALA A 42 10.542 8.138 -11.999 1.00 24.44 C ATOM 649 O ALA A 42 11.299 7.166 -11.997 1.00 1.31 O ATOM 650 CB ALA A 42 8.943 7.535 -13.825 1.00 12.44 C ATOM 0 H ALA A 42 11.257 8.167 -14.803 1.00 73.25 H new ATOM 0 HA ALA A 42 9.295 9.502 -13.059 1.00 73.15 H new ATOM 0 HB1 ALA A 42 8.205 7.281 -13.064 1.00 12.44 H new ATOM 0 HB2 ALA A 42 8.434 7.908 -14.714 1.00 12.44 H new ATOM 0 HB3 ALA A 42 9.519 6.646 -14.082 1.00 12.44 H new ATOM 656 N LYS A 43 10.256 8.832 -10.902 1.00 71.25 N ATOM 657 CA LYS A 43 10.825 8.485 -9.606 1.00 21.32 C ATOM 658 C LYS A 43 9.734 8.058 -8.629 1.00 52.02 C ATOM 659 O LYS A 43 9.991 7.315 -7.682 1.00 4.54 O ATOM 660 CB LYS A 43 11.602 9.672 -9.032 1.00 53.23 C ATOM 661 CG LYS A 43 13.101 9.585 -9.258 1.00 61.25 C ATOM 662 CD LYS A 43 13.830 10.756 -8.622 1.00 42.45 C ATOM 663 CE LYS A 43 14.859 10.287 -7.605 1.00 61.24 C ATOM 664 NZ LYS A 43 15.163 11.340 -6.597 1.00 61.13 N ATOM 0 H LYS A 43 9.633 9.639 -10.886 1.00 71.25 H new ATOM 0 HA LYS A 43 11.507 7.647 -9.750 1.00 21.32 H new ATOM 0 HB2 LYS A 43 11.228 10.592 -9.482 1.00 53.23 H new ATOM 0 HB3 LYS A 43 11.408 9.739 -7.962 1.00 53.23 H new ATOM 0 HG2 LYS A 43 13.479 8.651 -8.842 1.00 61.25 H new ATOM 0 HG3 LYS A 43 13.308 9.564 -10.328 1.00 61.25 H new ATOM 0 HD2 LYS A 43 14.324 11.342 -9.397 1.00 42.45 H new ATOM 0 HD3 LYS A 43 13.109 11.413 -8.135 1.00 42.45 H new ATOM 0 HE2 LYS A 43 14.489 9.396 -7.099 1.00 61.24 H new ATOM 0 HE3 LYS A 43 15.776 10.003 -8.121 1.00 61.24 H new ATOM 0 HZ1 LYS A 43 15.868 10.981 -5.922 1.00 61.13 H new ATOM 0 HZ2 LYS A 43 15.540 12.182 -7.077 1.00 61.13 H new ATOM 0 HZ3 LYS A 43 14.293 11.593 -6.087 1.00 61.13 H new ATOM 678 N ASP A 44 8.515 8.531 -8.867 1.00 64.33 N ATOM 679 CA ASP A 44 7.384 8.196 -8.010 1.00 63.20 C ATOM 680 C ASP A 44 6.107 8.865 -8.509 1.00 63.32 C ATOM 681 O ASP A 44 6.080 9.433 -9.600 1.00 74.04 O ATOM 682 CB ASP A 44 7.667 8.620 -6.568 1.00 32.11 C ATOM 683 CG ASP A 44 7.558 7.464 -5.593 1.00 13.33 C ATOM 684 OD1 ASP A 44 8.335 6.496 -5.730 1.00 53.12 O ATOM 685 OD2 ASP A 44 6.696 7.529 -4.691 1.00 60.54 O ATOM 0 H ASP A 44 8.285 9.148 -9.646 1.00 64.33 H new ATOM 0 HA ASP A 44 7.243 7.116 -8.042 1.00 63.20 H new ATOM 0 HB2 ASP A 44 8.667 9.049 -6.508 1.00 32.11 H new ATOM 0 HB3 ASP A 44 6.966 9.403 -6.278 1.00 32.11 H new ATOM 690 N GLN A 45 5.053 8.792 -7.703 1.00 60.53 N ATOM 691 CA GLN A 45 3.773 9.389 -8.065 1.00 32.42 C ATOM 692 C GLN A 45 3.948 10.849 -8.469 1.00 60.42 C ATOM 693 O GLN A 45 3.193 11.371 -9.288 1.00 71.42 O ATOM 694 CB GLN A 45 2.790 9.285 -6.897 1.00 71.13 C ATOM 695 CG GLN A 45 3.380 9.718 -5.565 1.00 21.41 C ATOM 696 CD GLN A 45 2.335 9.831 -4.473 1.00 13.02 C ATOM 697 OE1 GLN A 45 1.973 10.932 -4.055 1.00 63.44 O ATOM 698 NE2 GLN A 45 1.842 8.691 -4.004 1.00 23.44 N ATOM 0 H GLN A 45 5.060 8.326 -6.796 1.00 60.53 H new ATOM 0 HA GLN A 45 3.373 8.841 -8.918 1.00 32.42 H new ATOM 0 HB2 GLN A 45 1.915 9.898 -7.114 1.00 71.13 H new ATOM 0 HB3 GLN A 45 2.445 8.254 -6.814 1.00 71.13 H new ATOM 0 HG2 GLN A 45 4.143 9.002 -5.260 1.00 21.41 H new ATOM 0 HG3 GLN A 45 3.877 10.680 -5.688 1.00 21.41 H new ATOM 0 HE21 GLN A 45 2.170 7.801 -4.379 1.00 23.44 H new ATOM 0 HE22 GLN A 45 1.135 8.705 -3.269 1.00 23.44 H new ATOM 707 N ASN A 46 4.949 11.502 -7.889 1.00 1.32 N ATOM 708 CA ASN A 46 5.223 12.903 -8.188 1.00 52.13 C ATOM 709 C ASN A 46 5.799 13.057 -9.593 1.00 31.43 C ATOM 710 O ASN A 46 7.013 13.160 -9.770 1.00 22.22 O ATOM 711 CB ASN A 46 6.194 13.486 -7.160 1.00 24.21 C ATOM 712 CG ASN A 46 6.526 14.939 -7.437 1.00 0.53 C ATOM 713 OD1 ASN A 46 7.695 15.322 -7.488 1.00 40.04 O ATOM 714 ND2 ASN A 46 5.495 15.758 -7.616 1.00 24.51 N ATOM 0 H ASN A 46 5.584 11.084 -7.209 1.00 1.32 H new ATOM 0 HA ASN A 46 4.281 13.450 -8.138 1.00 52.13 H new ATOM 0 HB2 ASN A 46 5.760 13.399 -6.164 1.00 24.21 H new ATOM 0 HB3 ASN A 46 7.113 12.900 -7.159 1.00 24.21 H new ATOM 0 HD21 ASN A 46 5.656 16.747 -7.804 1.00 24.51 H new ATOM 0 HD22 ASN A 46 4.542 15.397 -7.565 1.00 24.51 H new ATOM 721 N CYS A 47 4.919 13.071 -10.589 1.00 4.43 N ATOM 722 CA CYS A 47 5.339 13.212 -11.978 1.00 12.42 C ATOM 723 C CYS A 47 5.028 14.612 -12.500 1.00 42.13 C ATOM 724 O CYS A 47 3.945 15.148 -12.267 1.00 55.01 O ATOM 725 CB CYS A 47 4.645 12.165 -12.851 1.00 21.33 C ATOM 726 SG CYS A 47 4.704 10.475 -12.172 1.00 55.02 S ATOM 0 H CYS A 47 3.911 12.986 -10.460 1.00 4.43 H new ATOM 0 HA CYS A 47 6.417 13.057 -12.024 1.00 12.42 H new ATOM 0 HB2 CYS A 47 3.603 12.454 -12.988 1.00 21.33 H new ATOM 0 HB3 CYS A 47 5.108 12.165 -13.838 1.00 21.33 H new ATOM 731 N LYS A 48 5.987 15.199 -13.209 1.00 13.11 N ATOM 732 CA LYS A 48 5.817 16.536 -13.767 1.00 20.52 C ATOM 733 C LYS A 48 6.609 16.689 -15.061 1.00 50.34 C ATOM 734 O LYS A 48 7.687 16.114 -15.213 1.00 51.34 O ATOM 735 CB LYS A 48 6.263 17.593 -12.755 1.00 1.41 C ATOM 736 CG LYS A 48 7.750 17.552 -12.447 1.00 51.02 C ATOM 737 CD LYS A 48 8.090 18.389 -11.226 1.00 0.24 C ATOM 738 CE LYS A 48 8.112 17.546 -9.960 1.00 61.53 C ATOM 739 NZ LYS A 48 8.265 18.383 -8.738 1.00 70.51 N ATOM 0 H LYS A 48 6.890 14.770 -13.411 1.00 13.11 H new ATOM 0 HA LYS A 48 4.760 16.679 -13.990 1.00 20.52 H new ATOM 0 HB2 LYS A 48 6.007 18.581 -13.138 1.00 1.41 H new ATOM 0 HB3 LYS A 48 5.705 17.455 -11.829 1.00 1.41 H new ATOM 0 HG2 LYS A 48 8.059 16.520 -12.280 1.00 51.02 H new ATOM 0 HG3 LYS A 48 8.311 17.917 -13.307 1.00 51.02 H new ATOM 0 HD2 LYS A 48 9.062 18.861 -11.367 1.00 0.24 H new ATOM 0 HD3 LYS A 48 7.359 19.190 -11.118 1.00 0.24 H new ATOM 0 HE2 LYS A 48 7.190 16.969 -9.892 1.00 61.53 H new ATOM 0 HE3 LYS A 48 8.932 16.830 -10.015 1.00 61.53 H new ATOM 0 HZ1 LYS A 48 8.275 17.771 -7.897 1.00 70.51 H new ATOM 0 HZ2 LYS A 48 9.157 18.914 -8.791 1.00 70.51 H new ATOM 0 HZ3 LYS A 48 7.469 19.049 -8.672 1.00 70.51 H new ATOM 753 N VAL A 49 6.068 17.470 -15.992 1.00 22.24 N ATOM 754 CA VAL A 49 6.726 17.701 -17.272 1.00 53.22 C ATOM 755 C VAL A 49 8.169 18.151 -17.075 1.00 61.14 C ATOM 756 O VAL A 49 8.428 19.295 -16.701 1.00 14.11 O ATOM 757 CB VAL A 49 5.978 18.761 -18.104 1.00 23.35 C ATOM 758 CG1 VAL A 49 4.704 18.176 -18.692 1.00 74.24 C ATOM 759 CG2 VAL A 49 5.670 19.984 -17.254 1.00 2.23 C ATOM 0 H VAL A 49 5.176 17.953 -15.883 1.00 22.24 H new ATOM 0 HA VAL A 49 6.715 16.753 -17.810 1.00 53.22 H new ATOM 0 HB VAL A 49 6.621 19.072 -18.928 1.00 23.35 H new ATOM 0 HG11 VAL A 49 4.189 18.939 -19.276 1.00 74.24 H new ATOM 0 HG12 VAL A 49 4.954 17.333 -19.336 1.00 74.24 H new ATOM 0 HG13 VAL A 49 4.054 17.836 -17.886 1.00 74.24 H new ATOM 0 HG21 VAL A 49 5.142 20.723 -17.857 1.00 2.23 H new ATOM 0 HG22 VAL A 49 5.046 19.692 -16.409 1.00 2.23 H new ATOM 0 HG23 VAL A 49 6.601 20.415 -16.886 1.00 2.23 H new ATOM 769 N ILE A 50 9.106 17.244 -17.331 1.00 34.32 N ATOM 770 CA ILE A 50 10.523 17.548 -17.183 1.00 65.23 C ATOM 771 C ILE A 50 11.373 16.659 -18.085 1.00 61.12 C ATOM 772 O ILE A 50 10.998 15.526 -18.391 1.00 53.30 O ATOM 773 CB ILE A 50 10.988 17.374 -15.725 1.00 71.42 C ATOM 774 CG1 ILE A 50 12.407 17.919 -15.550 1.00 71.44 C ATOM 775 CG2 ILE A 50 10.924 15.908 -15.320 1.00 53.53 C ATOM 776 CD1 ILE A 50 12.699 18.404 -14.148 1.00 24.42 C ATOM 0 H ILE A 50 8.909 16.293 -17.642 1.00 34.32 H new ATOM 0 HA ILE A 50 10.654 18.590 -17.475 1.00 65.23 H new ATOM 0 HB ILE A 50 10.319 17.940 -15.076 1.00 71.42 H new ATOM 0 HG12 ILE A 50 13.122 17.139 -15.812 1.00 71.44 H new ATOM 0 HG13 ILE A 50 12.561 18.741 -16.249 1.00 71.44 H new ATOM 0 HG21 ILE A 50 11.256 15.801 -14.287 1.00 53.53 H new ATOM 0 HG22 ILE A 50 9.899 15.550 -15.411 1.00 53.53 H new ATOM 0 HG23 ILE A 50 11.572 15.322 -15.972 1.00 53.53 H new ATOM 0 HD11 ILE A 50 13.722 18.776 -14.098 1.00 24.42 H new ATOM 0 HD12 ILE A 50 12.008 19.206 -13.889 1.00 24.42 H new ATOM 0 HD13 ILE A 50 12.578 17.580 -13.445 1.00 24.42 H new ATOM 788 N LEU A 51 12.521 17.178 -18.507 1.00 14.50 N ATOM 789 CA LEU A 51 13.426 16.431 -19.373 1.00 42.50 C ATOM 790 C LEU A 51 14.758 16.173 -18.675 1.00 51.53 C ATOM 791 O LEU A 51 15.186 16.952 -17.823 1.00 3.21 O ATOM 792 CB LEU A 51 13.661 17.194 -20.678 1.00 54.40 C ATOM 793 CG LEU A 51 12.419 17.798 -21.335 1.00 32.00 C ATOM 794 CD1 LEU A 51 12.815 18.848 -22.362 1.00 32.42 C ATOM 795 CD2 LEU A 51 11.575 16.709 -21.981 1.00 54.10 C ATOM 0 H LEU A 51 12.847 18.113 -18.263 1.00 14.50 H new ATOM 0 HA LEU A 51 12.963 15.471 -19.599 1.00 42.50 H new ATOM 0 HB2 LEU A 51 14.371 17.997 -20.483 1.00 54.40 H new ATOM 0 HB3 LEU A 51 14.132 16.518 -21.391 1.00 54.40 H new ATOM 0 HG LEU A 51 11.822 18.283 -20.562 1.00 32.00 H new ATOM 0 HD11 LEU A 51 11.918 19.266 -22.819 1.00 32.42 H new ATOM 0 HD12 LEU A 51 13.377 19.643 -21.872 1.00 32.42 H new ATOM 0 HD13 LEU A 51 13.434 18.388 -23.132 1.00 32.42 H new ATOM 0 HD21 LEU A 51 10.695 17.157 -22.444 1.00 54.10 H new ATOM 0 HD22 LEU A 51 12.163 16.196 -22.742 1.00 54.10 H new ATOM 0 HD23 LEU A 51 11.261 15.993 -21.221 1.00 54.10 H new ATOM 807 N THR A 52 15.411 15.076 -19.044 1.00 75.52 N ATOM 808 CA THR A 52 16.694 14.715 -18.455 1.00 51.01 C ATOM 809 C THR A 52 17.847 15.370 -19.207 1.00 22.14 C ATOM 810 O THR A 52 19.014 15.084 -18.943 1.00 22.13 O ATOM 811 CB THR A 52 16.901 13.189 -18.450 1.00 34.43 C ATOM 812 OG1 THR A 52 18.060 12.854 -17.679 1.00 31.03 O ATOM 813 CG2 THR A 52 17.058 12.659 -19.867 1.00 74.20 C ATOM 0 H THR A 52 15.072 14.421 -19.749 1.00 75.52 H new ATOM 0 HA THR A 52 16.682 15.076 -17.426 1.00 51.01 H new ATOM 0 HB THR A 52 16.021 12.727 -18.002 1.00 34.43 H new ATOM 0 HG1 THR A 52 18.723 13.571 -17.757 1.00 31.03 H new ATOM 0 HG21 THR A 52 17.203 11.579 -19.838 1.00 74.20 H new ATOM 0 HG22 THR A 52 16.162 12.889 -20.443 1.00 74.20 H new ATOM 0 HG23 THR A 52 17.922 13.128 -20.337 1.00 74.20 H new ATOM 821 N ASN A 53 17.512 16.251 -20.144 1.00 23.22 N ATOM 822 CA ASN A 53 18.521 16.947 -20.934 1.00 23.01 C ATOM 823 C ASN A 53 18.721 18.372 -20.427 1.00 51.24 C ATOM 824 O ASN A 53 19.050 19.275 -21.196 1.00 21.12 O ATOM 825 CB ASN A 53 18.117 16.970 -22.409 1.00 62.04 C ATOM 826 CG ASN A 53 16.997 17.954 -22.687 1.00 4.31 C ATOM 827 OD1 ASN A 53 16.257 18.340 -21.782 1.00 73.03 O ATOM 828 ND2 ASN A 53 16.869 18.365 -23.943 1.00 50.40 N ATOM 0 H ASN A 53 16.550 16.500 -20.375 1.00 23.22 H new ATOM 0 HA ASN A 53 19.463 16.408 -20.831 1.00 23.01 H new ATOM 0 HB2 ASN A 53 18.984 17.230 -23.016 1.00 62.04 H new ATOM 0 HB3 ASN A 53 17.803 15.971 -22.712 1.00 62.04 H new ATOM 0 HD21 ASN A 53 16.134 19.028 -24.190 1.00 50.40 H new ATOM 0 HD22 ASN A 53 17.506 18.018 -24.661 1.00 50.40 H new ATOM 835 N GLY A 54 18.519 18.566 -19.128 1.00 5.35 N ATOM 836 CA GLY A 54 18.682 19.883 -18.540 1.00 42.42 C ATOM 837 C GLY A 54 17.729 20.903 -19.131 1.00 1.42 C ATOM 838 O GLY A 54 18.055 22.087 -19.226 1.00 14.05 O ATOM 0 H GLY A 54 18.245 17.835 -18.472 1.00 5.35 H new ATOM 0 HA2 GLY A 54 18.520 19.820 -17.464 1.00 42.42 H new ATOM 0 HA3 GLY A 54 19.708 20.220 -18.689 1.00 42.42 H new ATOM 842 N LYS A 55 16.548 20.445 -19.531 1.00 61.22 N ATOM 843 CA LYS A 55 15.544 21.325 -20.117 1.00 35.34 C ATOM 844 C LYS A 55 14.148 20.963 -19.619 1.00 54.52 C ATOM 845 O LYS A 55 13.911 19.843 -19.169 1.00 12.03 O ATOM 846 CB LYS A 55 15.590 21.241 -21.644 1.00 31.41 C ATOM 847 CG LYS A 55 15.615 22.597 -22.327 1.00 73.23 C ATOM 848 CD LYS A 55 16.839 22.752 -23.214 1.00 74.04 C ATOM 849 CE LYS A 55 17.119 24.214 -23.527 1.00 31.14 C ATOM 850 NZ LYS A 55 17.285 24.447 -24.988 1.00 25.00 N ATOM 0 H LYS A 55 16.262 19.468 -19.460 1.00 61.22 H new ATOM 0 HA LYS A 55 15.768 22.346 -19.809 1.00 35.34 H new ATOM 0 HB2 LYS A 55 16.474 20.677 -21.942 1.00 31.41 H new ATOM 0 HB3 LYS A 55 14.722 20.683 -21.995 1.00 31.41 H new ATOM 0 HG2 LYS A 55 14.713 22.720 -22.926 1.00 73.23 H new ATOM 0 HG3 LYS A 55 15.608 23.385 -21.574 1.00 73.23 H new ATOM 0 HD2 LYS A 55 17.705 22.312 -22.720 1.00 74.04 H new ATOM 0 HD3 LYS A 55 16.688 22.202 -24.143 1.00 74.04 H new ATOM 0 HE2 LYS A 55 16.301 24.829 -23.152 1.00 31.14 H new ATOM 0 HE3 LYS A 55 18.021 24.531 -23.004 1.00 31.14 H new ATOM 0 HZ1 LYS A 55 17.474 25.455 -25.159 1.00 25.00 H new ATOM 0 HZ2 LYS A 55 18.082 23.880 -25.342 1.00 25.00 H new ATOM 0 HZ3 LYS A 55 16.415 24.169 -25.485 1.00 25.00 H new ATOM 864 N GLN A 56 13.228 21.919 -19.706 1.00 12.13 N ATOM 865 CA GLN A 56 11.855 21.700 -19.265 1.00 24.23 C ATOM 866 C GLN A 56 10.889 21.763 -20.442 1.00 75.15 C ATOM 867 O GLN A 56 11.070 22.557 -21.365 1.00 70.21 O ATOM 868 CB GLN A 56 11.464 22.738 -18.212 1.00 33.02 C ATOM 869 CG GLN A 56 11.634 24.174 -18.680 1.00 42.04 C ATOM 870 CD GLN A 56 11.087 25.181 -17.688 1.00 75.31 C ATOM 871 OE1 GLN A 56 11.837 25.786 -16.922 1.00 51.22 O ATOM 872 NE2 GLN A 56 9.772 25.365 -17.696 1.00 54.44 N ATOM 0 H GLN A 56 13.408 22.852 -20.077 1.00 12.13 H new ATOM 0 HA GLN A 56 11.796 20.705 -18.824 1.00 24.23 H new ATOM 0 HB2 GLN A 56 10.424 22.579 -17.926 1.00 33.02 H new ATOM 0 HB3 GLN A 56 12.068 22.582 -17.318 1.00 33.02 H new ATOM 0 HG2 GLN A 56 12.692 24.374 -18.849 1.00 42.04 H new ATOM 0 HG3 GLN A 56 11.129 24.302 -19.637 1.00 42.04 H new ATOM 0 HE21 GLN A 56 9.188 24.842 -18.348 1.00 54.44 H new ATOM 0 HE22 GLN A 56 9.346 26.029 -17.050 1.00 54.44 H new ATOM 881 N ALA A 57 9.861 20.921 -20.404 1.00 62.31 N ATOM 882 CA ALA A 57 8.865 20.882 -21.467 1.00 51.14 C ATOM 883 C ALA A 57 8.311 22.274 -21.751 1.00 15.10 C ATOM 884 O ALA A 57 8.410 23.187 -20.931 1.00 50.10 O ATOM 885 CB ALA A 57 7.738 19.928 -21.100 1.00 61.24 C ATOM 0 H ALA A 57 9.697 20.257 -19.648 1.00 62.31 H new ATOM 0 HA ALA A 57 9.351 20.521 -22.373 1.00 51.14 H new ATOM 0 HB1 ALA A 57 7.001 19.909 -21.903 1.00 61.24 H new ATOM 0 HB2 ALA A 57 8.142 18.926 -20.955 1.00 61.24 H new ATOM 0 HB3 ALA A 57 7.262 20.264 -20.179 1.00 61.24 H new ATOM 891 N PRO A 58 7.713 22.443 -22.940 1.00 32.12 N ATOM 892 CA PRO A 58 7.131 23.721 -23.359 1.00 11.52 C ATOM 893 C PRO A 58 5.876 24.074 -22.568 1.00 1.44 C ATOM 894 O PRO A 58 5.553 23.423 -21.574 1.00 63.53 O ATOM 895 CB PRO A 58 6.786 23.489 -24.832 1.00 24.41 C ATOM 896 CG PRO A 58 6.602 22.015 -24.950 1.00 22.05 C ATOM 897 CD PRO A 58 7.558 21.398 -23.966 1.00 44.43 C ATOM 0 HA PRO A 58 7.815 24.553 -23.193 1.00 11.52 H new ATOM 0 HB2 PRO A 58 5.880 24.025 -25.116 1.00 24.41 H new ATOM 0 HB3 PRO A 58 7.583 23.842 -25.486 1.00 24.41 H new ATOM 0 HG2 PRO A 58 5.574 21.731 -24.726 1.00 22.05 H new ATOM 0 HG3 PRO A 58 6.813 21.675 -25.964 1.00 22.05 H new ATOM 0 HD2 PRO A 58 7.160 20.476 -23.543 1.00 44.43 H new ATOM 0 HD3 PRO A 58 8.511 21.149 -24.433 1.00 44.43 H new ATOM 905 N ASP A 59 5.172 25.109 -23.014 1.00 62.31 N ATOM 906 CA ASP A 59 3.951 25.547 -22.348 1.00 41.22 C ATOM 907 C ASP A 59 2.770 24.668 -22.745 1.00 73.44 C ATOM 908 O ASP A 59 1.784 24.569 -22.015 1.00 53.00 O ATOM 909 CB ASP A 59 3.654 27.008 -22.692 1.00 32.43 C ATOM 910 CG ASP A 59 4.646 27.964 -22.060 1.00 52.41 C ATOM 911 OD1 ASP A 59 5.718 27.501 -21.620 1.00 3.13 O ATOM 912 OD2 ASP A 59 4.349 29.177 -22.005 1.00 62.55 O ATOM 0 H ASP A 59 5.426 25.660 -23.834 1.00 62.31 H new ATOM 0 HA ASP A 59 4.101 25.458 -21.272 1.00 41.22 H new ATOM 0 HB2 ASP A 59 3.671 27.134 -23.775 1.00 32.43 H new ATOM 0 HB3 ASP A 59 2.648 27.260 -22.358 1.00 32.43 H new ATOM 917 N TRP A 60 2.876 24.032 -23.907 1.00 3.04 N ATOM 918 CA TRP A 60 1.816 23.161 -24.401 1.00 52.43 C ATOM 919 C TRP A 60 2.051 21.718 -23.970 1.00 61.04 C ATOM 920 O TRP A 60 1.439 20.792 -24.505 1.00 12.42 O ATOM 921 CB TRP A 60 1.730 23.244 -25.926 1.00 71.12 C ATOM 922 CG TRP A 60 2.990 22.816 -26.616 1.00 51.41 C ATOM 923 CD1 TRP A 60 4.077 23.595 -26.895 1.00 14.34 C ATOM 924 CD2 TRP A 60 3.292 21.509 -27.116 1.00 40.20 C ATOM 925 NE1 TRP A 60 5.036 22.851 -27.538 1.00 21.04 N ATOM 926 CE2 TRP A 60 4.580 21.568 -27.685 1.00 35.04 C ATOM 927 CE3 TRP A 60 2.601 20.295 -27.137 1.00 24.41 C ATOM 928 CZ2 TRP A 60 5.187 20.459 -28.267 1.00 72.14 C ATOM 929 CZ3 TRP A 60 3.205 19.195 -27.716 1.00 64.20 C ATOM 930 CH2 TRP A 60 4.488 19.283 -28.274 1.00 73.51 C ATOM 0 H TRP A 60 3.685 24.103 -24.524 1.00 3.04 H new ATOM 0 HA TRP A 60 0.873 23.499 -23.972 1.00 52.43 H new ATOM 0 HB2 TRP A 60 0.905 22.620 -26.271 1.00 71.12 H new ATOM 0 HB3 TRP A 60 1.496 24.269 -26.214 1.00 71.12 H new ATOM 0 HD1 TRP A 60 4.169 24.642 -26.647 1.00 14.34 H new ATOM 0 HE1 TRP A 60 5.941 23.198 -27.855 1.00 21.04 H new ATOM 0 HE3 TRP A 60 1.613 20.217 -26.709 1.00 24.41 H new ATOM 0 HZ2 TRP A 60 6.175 20.525 -28.698 1.00 72.14 H new ATOM 0 HZ3 TRP A 60 2.680 18.252 -27.739 1.00 64.20 H new ATOM 0 HH2 TRP A 60 4.933 18.405 -28.718 1.00 73.51 H new ATOM 941 N LEU A 61 2.941 21.532 -23.002 1.00 32.14 N ATOM 942 CA LEU A 61 3.257 20.200 -22.498 1.00 74.54 C ATOM 943 C LEU A 61 2.811 20.046 -21.048 1.00 22.43 C ATOM 944 O LEU A 61 3.099 20.896 -20.206 1.00 51.22 O ATOM 945 CB LEU A 61 4.758 19.932 -22.614 1.00 3.01 C ATOM 946 CG LEU A 61 5.168 18.803 -23.560 1.00 61.12 C ATOM 947 CD1 LEU A 61 4.427 17.521 -23.214 1.00 23.23 C ATOM 948 CD2 LEU A 61 4.907 19.198 -25.006 1.00 73.24 C ATOM 0 H LEU A 61 3.457 22.287 -22.550 1.00 32.14 H new ATOM 0 HA LEU A 61 2.717 19.472 -23.103 1.00 74.54 H new ATOM 0 HB2 LEU A 61 5.246 20.850 -22.943 1.00 3.01 H new ATOM 0 HB3 LEU A 61 5.144 19.704 -21.620 1.00 3.01 H new ATOM 0 HG LEU A 61 6.237 18.624 -23.440 1.00 61.12 H new ATOM 0 HD11 LEU A 61 4.732 16.729 -23.898 1.00 23.23 H new ATOM 0 HD12 LEU A 61 4.664 17.228 -22.191 1.00 23.23 H new ATOM 0 HD13 LEU A 61 3.353 17.686 -23.305 1.00 23.23 H new ATOM 0 HD21 LEU A 61 5.205 18.383 -25.665 1.00 73.24 H new ATOM 0 HD22 LEU A 61 3.845 19.404 -25.141 1.00 73.24 H new ATOM 0 HD23 LEU A 61 5.484 20.090 -25.249 1.00 73.24 H new ATOM 960 N ALA A 62 2.109 18.954 -20.762 1.00 64.33 N ATOM 961 CA ALA A 62 1.628 18.686 -19.413 1.00 1.03 C ATOM 962 C ALA A 62 1.637 17.191 -19.113 1.00 64.11 C ATOM 963 O ALA A 62 1.782 16.368 -20.017 1.00 3.14 O ATOM 964 CB ALA A 62 0.229 19.254 -19.229 1.00 12.40 C ATOM 0 H ALA A 62 1.861 18.241 -21.447 1.00 64.33 H new ATOM 0 HA ALA A 62 2.303 19.175 -18.710 1.00 1.03 H new ATOM 0 HB1 ALA A 62 -0.118 19.046 -18.217 1.00 12.40 H new ATOM 0 HB2 ALA A 62 0.250 20.332 -19.392 1.00 12.40 H new ATOM 0 HB3 ALA A 62 -0.449 18.792 -19.947 1.00 12.40 H new ATOM 970 N ALA A 63 1.483 16.846 -17.839 1.00 15.52 N ATOM 971 CA ALA A 63 1.472 15.450 -17.421 1.00 12.22 C ATOM 972 C ALA A 63 0.759 15.283 -16.083 1.00 5.11 C ATOM 973 O ALA A 63 1.096 15.948 -15.104 1.00 31.14 O ATOM 974 CB ALA A 63 2.893 14.914 -17.335 1.00 2.14 C ATOM 0 H ALA A 63 1.364 17.515 -17.078 1.00 15.52 H new ATOM 0 HA ALA A 63 0.924 14.877 -18.169 1.00 12.22 H new ATOM 0 HB1 ALA A 63 2.870 13.870 -17.022 1.00 2.14 H new ATOM 0 HB2 ALA A 63 3.370 14.989 -18.312 1.00 2.14 H new ATOM 0 HB3 ALA A 63 3.459 15.498 -16.609 1.00 2.14 H new ATOM 980 N GLU A 64 -0.226 14.392 -16.050 1.00 33.23 N ATOM 981 CA GLU A 64 -0.987 14.140 -14.831 1.00 64.22 C ATOM 982 C GLU A 64 -0.569 12.818 -14.193 1.00 10.11 C ATOM 983 O GLU A 64 0.019 11.948 -14.835 1.00 62.03 O ATOM 984 CB GLU A 64 -2.486 14.121 -15.134 1.00 54.11 C ATOM 985 CG GLU A 64 -3.176 15.450 -14.874 1.00 34.41 C ATOM 986 CD GLU A 64 -4.618 15.460 -15.344 1.00 41.24 C ATOM 987 OE1 GLU A 64 -5.484 14.936 -14.613 1.00 0.32 O ATOM 988 OE2 GLU A 64 -4.880 15.992 -16.443 1.00 60.35 O ATOM 0 H GLU A 64 -0.516 13.833 -16.852 1.00 33.23 H new ATOM 0 HA GLU A 64 -0.776 14.946 -14.128 1.00 64.22 H new ATOM 0 HB2 GLU A 64 -2.634 13.842 -16.177 1.00 54.11 H new ATOM 0 HB3 GLU A 64 -2.961 13.350 -14.528 1.00 54.11 H new ATOM 0 HG2 GLU A 64 -3.144 15.669 -13.807 1.00 34.41 H new ATOM 0 HG3 GLU A 64 -2.627 16.245 -15.379 1.00 34.41 H new ATOM 995 N PRO A 65 -0.879 12.663 -12.897 1.00 54.13 N ATOM 996 CA PRO A 65 -0.546 11.451 -12.143 1.00 11.21 C ATOM 997 C PRO A 65 -1.371 10.248 -12.585 1.00 72.35 C ATOM 998 O PRO A 65 -2.334 10.387 -13.340 1.00 33.41 O ATOM 999 CB PRO A 65 -0.883 11.829 -10.698 1.00 73.43 C ATOM 1000 CG PRO A 65 -1.915 12.897 -10.817 1.00 21.22 C ATOM 1001 CD PRO A 65 -1.580 13.659 -12.069 1.00 60.10 C ATOM 0 HA PRO A 65 0.492 11.152 -12.289 1.00 11.21 H new ATOM 0 HB2 PRO A 65 -1.263 10.971 -10.143 1.00 73.43 H new ATOM 0 HB3 PRO A 65 -0.001 12.188 -10.167 1.00 73.43 H new ATOM 0 HG2 PRO A 65 -2.915 12.468 -10.877 1.00 21.22 H new ATOM 0 HG3 PRO A 65 -1.901 13.552 -9.946 1.00 21.22 H new ATOM 0 HD2 PRO A 65 -2.476 14.033 -12.563 1.00 60.10 H new ATOM 0 HD3 PRO A 65 -0.949 14.522 -11.857 1.00 60.10 H new ATOM 1009 N TYR A 66 -0.988 9.067 -12.112 1.00 12.33 N ATOM 1010 CA TYR A 66 -1.692 7.839 -12.460 1.00 61.14 C ATOM 1011 C TYR A 66 -1.137 6.652 -11.678 1.00 15.53 C ATOM 1012 O TYR A 66 -1.036 6.697 -10.453 1.00 0.40 O ATOM 1013 CB TYR A 66 -1.580 7.571 -13.962 1.00 65.32 C ATOM 1014 CG TYR A 66 -2.597 6.578 -14.478 1.00 11.41 C ATOM 1015 CD1 TYR A 66 -2.455 5.218 -14.236 1.00 23.22 C ATOM 1016 CD2 TYR A 66 -3.702 7.002 -15.207 1.00 2.03 C ATOM 1017 CE1 TYR A 66 -3.382 4.308 -14.706 1.00 23.22 C ATOM 1018 CE2 TYR A 66 -4.635 6.099 -15.679 1.00 43.23 C ATOM 1019 CZ TYR A 66 -4.470 4.753 -15.427 1.00 1.32 C ATOM 1020 OH TYR A 66 -5.396 3.850 -15.895 1.00 52.15 O ATOM 0 H TYR A 66 -0.193 8.935 -11.486 1.00 12.33 H new ATOM 0 HA TYR A 66 -2.742 7.965 -12.197 1.00 61.14 H new ATOM 0 HB2 TYR A 66 -1.698 8.512 -14.500 1.00 65.32 H new ATOM 0 HB3 TYR A 66 -0.579 7.201 -14.183 1.00 65.32 H new ATOM 0 HD1 TYR A 66 -1.605 4.866 -13.671 1.00 23.22 H new ATOM 0 HD2 TYR A 66 -3.833 8.055 -15.408 1.00 2.03 H new ATOM 0 HE1 TYR A 66 -3.255 3.254 -14.510 1.00 23.22 H new ATOM 0 HE2 TYR A 66 -5.489 6.445 -16.242 1.00 43.23 H new ATOM 0 HH TYR A 66 -6.101 4.326 -16.382 1.00 52.15 H new TER 1030 TYR A 66