USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 644 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -116:sc= -2.57 (180deg=-3.96!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -156:sc= -1.23 (180deg=-2.16!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -152:sc= -0.0184 (180deg=-1.35) USER MOD Single : A 25 GLN : amide:sc= -0.0543 K(o=-0.054,f=-2.4!) USER MOD Single : A 28 LYS NZ :NH3+ -170:sc= 1.19 (180deg=1.1) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -108:sc= 0.54 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -170:sc= 0.89 (180deg=0.661) USER MOD Single : A 66 LYS NZ :NH3+ -165:sc= -0.0191 (180deg=-0.242) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot -170:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.806 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.783 14.356 5.716 1.00 34.10 N ATOM 2 CA MET A 1 -3.544 13.123 5.376 1.00 35.21 C ATOM 3 C MET A 1 -2.627 11.891 5.325 1.00 4.21 C ATOM 4 O MET A 1 -1.494 11.961 4.843 1.00 4.52 O ATOM 5 CB MET A 1 -4.259 13.293 4.028 1.00 51.20 C ATOM 6 CG MET A 1 -5.025 12.053 3.568 1.00 21.31 C ATOM 7 SD MET A 1 -5.847 12.283 1.980 1.00 52.32 S ATOM 8 CE MET A 1 -4.466 12.731 0.930 1.00 70.11 C ATOM 0 H1 MET A 1 -3.432 15.168 5.742 1.00 34.10 H new ATOM 0 H2 MET A 1 -2.334 14.241 6.647 1.00 34.10 H new ATOM 0 H3 MET A 1 -2.050 14.521 4.997 1.00 34.10 H new ATOM 0 HA MET A 1 -4.283 12.965 6.161 1.00 35.21 H new ATOM 0 HB2 MET A 1 -4.953 14.130 4.100 1.00 51.20 H new ATOM 0 HB3 MET A 1 -3.522 13.555 3.268 1.00 51.20 H new ATOM 0 HG2 MET A 1 -4.335 11.212 3.495 1.00 21.31 H new ATOM 0 HG3 MET A 1 -5.768 11.791 4.321 1.00 21.31 H new ATOM 0 HE1 MET A 1 -4.602 13.749 0.565 1.00 70.11 H new ATOM 0 HE2 MET A 1 -3.540 12.671 1.502 1.00 70.11 H new ATOM 0 HE3 MET A 1 -4.415 12.046 0.084 1.00 70.11 H new ATOM 20 N GLU A 2 -3.133 10.763 5.819 1.00 24.51 N ATOM 21 CA GLU A 2 -2.378 9.502 5.851 1.00 34.22 C ATOM 22 C GLU A 2 -3.187 8.365 5.203 1.00 10.41 C ATOM 23 O GLU A 2 -4.365 8.539 4.883 1.00 42.12 O ATOM 24 CB GLU A 2 -2.035 9.146 7.303 1.00 72.11 C ATOM 25 CG GLU A 2 -1.322 10.266 8.050 1.00 72.23 C ATOM 26 CD GLU A 2 -1.278 10.037 9.550 1.00 73.10 C ATOM 27 OE1 GLU A 2 -2.303 10.280 10.221 1.00 22.23 O ATOM 28 OE2 GLU A 2 -0.223 9.614 10.063 1.00 22.35 O ATOM 0 H GLU A 2 -4.073 10.692 6.208 1.00 24.51 H new ATOM 0 HA GLU A 2 -1.457 9.630 5.282 1.00 34.22 H new ATOM 0 HB2 GLU A 2 -2.953 8.893 7.833 1.00 72.11 H new ATOM 0 HB3 GLU A 2 -1.406 8.256 7.312 1.00 72.11 H new ATOM 0 HG2 GLU A 2 -0.304 10.359 7.671 1.00 72.23 H new ATOM 0 HG3 GLU A 2 -1.826 11.211 7.846 1.00 72.23 H new ATOM 35 N MET A 3 -2.560 7.209 4.990 1.00 40.04 N ATOM 36 CA MET A 3 -3.255 6.067 4.376 1.00 12.14 C ATOM 37 C MET A 3 -2.812 4.717 4.966 1.00 15.13 C ATOM 38 O MET A 3 -1.618 4.417 5.042 1.00 4.02 O ATOM 39 CB MET A 3 -3.030 6.071 2.858 1.00 65.21 C ATOM 40 CG MET A 3 -3.795 4.986 2.111 1.00 10.50 C ATOM 41 SD MET A 3 -3.526 5.065 0.326 1.00 14.35 S ATOM 42 CE MET A 3 -4.565 3.715 -0.232 1.00 53.51 C ATOM 0 H MET A 3 -1.584 7.034 5.228 1.00 40.04 H new ATOM 0 HA MET A 3 -4.316 6.182 4.596 1.00 12.14 H new ATOM 0 HB2 MET A 3 -3.321 7.044 2.461 1.00 65.21 H new ATOM 0 HB3 MET A 3 -1.965 5.951 2.659 1.00 65.21 H new ATOM 0 HG2 MET A 3 -3.487 4.008 2.480 1.00 10.50 H new ATOM 0 HG3 MET A 3 -4.860 5.085 2.321 1.00 10.50 H new ATOM 0 HE1 MET A 3 -4.207 3.355 -1.196 1.00 53.51 H new ATOM 0 HE2 MET A 3 -4.529 2.903 0.495 1.00 53.51 H new ATOM 0 HE3 MET A 3 -5.592 4.065 -0.334 1.00 53.51 H new ATOM 52 N ASP A 4 -3.794 3.922 5.389 1.00 3.33 N ATOM 53 CA ASP A 4 -3.570 2.538 5.813 1.00 23.14 C ATOM 54 C ASP A 4 -3.527 1.608 4.590 1.00 14.21 C ATOM 55 O ASP A 4 -4.428 1.646 3.753 1.00 54.22 O ATOM 56 CB ASP A 4 -4.710 2.081 6.732 1.00 51.40 C ATOM 57 CG ASP A 4 -4.907 2.979 7.936 1.00 35.12 C ATOM 58 OD1 ASP A 4 -5.516 4.051 7.780 1.00 54.35 O ATOM 59 OD2 ASP A 4 -4.475 2.603 9.051 1.00 10.51 O ATOM 0 H ASP A 4 -4.768 4.218 5.448 1.00 3.33 H new ATOM 0 HA ASP A 4 -2.620 2.492 6.345 1.00 23.14 H new ATOM 0 HB2 ASP A 4 -5.637 2.045 6.159 1.00 51.40 H new ATOM 0 HB3 ASP A 4 -4.507 1.066 7.074 1.00 51.40 H new ATOM 64 N ILE A 5 -2.488 0.780 4.479 1.00 43.23 N ATOM 65 CA ILE A 5 -2.369 -0.165 3.356 1.00 1.24 C ATOM 66 C ILE A 5 -1.838 -1.529 3.832 1.00 3.34 C ATOM 67 O ILE A 5 -0.675 -1.656 4.199 1.00 74.55 O ATOM 68 CB ILE A 5 -1.430 0.386 2.245 1.00 72.02 C ATOM 69 CG1 ILE A 5 -1.888 1.782 1.786 1.00 53.31 C ATOM 70 CG2 ILE A 5 -1.386 -0.576 1.060 1.00 63.01 C ATOM 71 CD1 ILE A 5 -0.992 2.417 0.747 1.00 50.45 C ATOM 0 H ILE A 5 -1.718 0.740 5.146 1.00 43.23 H new ATOM 0 HA ILE A 5 -3.370 -0.292 2.943 1.00 1.24 H new ATOM 0 HB ILE A 5 -0.426 0.475 2.659 1.00 72.02 H new ATOM 0 HG12 ILE A 5 -2.897 1.706 1.382 1.00 53.31 H new ATOM 0 HG13 ILE A 5 -1.941 2.439 2.654 1.00 53.31 H new ATOM 0 HG21 ILE A 5 -0.725 -0.176 0.291 1.00 63.01 H new ATOM 0 HG22 ILE A 5 -1.013 -1.545 1.392 1.00 63.01 H new ATOM 0 HG23 ILE A 5 -2.389 -0.695 0.650 1.00 63.01 H new ATOM 0 HD11 ILE A 5 -1.385 3.398 0.478 1.00 50.45 H new ATOM 0 HD12 ILE A 5 0.014 2.528 1.153 1.00 50.45 H new ATOM 0 HD13 ILE A 5 -0.958 1.784 -0.140 1.00 50.45 H new ATOM 83 N ARG A 6 -2.697 -2.551 3.830 1.00 30.24 N ATOM 84 CA ARG A 6 -2.298 -3.895 4.279 1.00 4.41 C ATOM 85 C ARG A 6 -2.446 -4.941 3.164 1.00 43.13 C ATOM 86 O ARG A 6 -3.523 -5.102 2.591 1.00 43.05 O ATOM 87 CB ARG A 6 -3.115 -4.333 5.509 1.00 65.13 C ATOM 88 CG ARG A 6 -2.815 -3.537 6.779 1.00 53.52 C ATOM 89 CD ARG A 6 -3.473 -2.163 6.779 1.00 42.41 C ATOM 90 NE ARG A 6 -2.913 -1.287 7.805 1.00 15.02 N ATOM 91 CZ ARG A 6 -3.611 -0.509 8.581 1.00 62.12 C ATOM 92 NH1 ARG A 6 -4.909 -0.525 8.552 1.00 0.14 N ATOM 93 NH2 ARG A 6 -3.000 0.280 9.403 1.00 14.22 N ATOM 0 H ARG A 6 -3.668 -2.479 3.525 1.00 30.24 H new ATOM 0 HA ARG A 6 -1.244 -3.834 4.552 1.00 4.41 H new ATOM 0 HB2 ARG A 6 -4.176 -4.240 5.278 1.00 65.13 H new ATOM 0 HB3 ARG A 6 -2.922 -5.388 5.702 1.00 65.13 H new ATOM 0 HG2 ARG A 6 -3.159 -4.100 7.646 1.00 53.52 H new ATOM 0 HG3 ARG A 6 -1.736 -3.419 6.883 1.00 53.52 H new ATOM 0 HD2 ARG A 6 -3.347 -1.701 5.800 1.00 42.41 H new ATOM 0 HD3 ARG A 6 -4.545 -2.275 6.943 1.00 42.41 H new ATOM 0 HE ARG A 6 -1.900 -1.285 7.922 1.00 15.02 H new ATOM 0 HH11 ARG A 6 -5.397 -1.154 7.914 1.00 0.14 H new ATOM 0 HH12 ARG A 6 -5.440 0.091 9.167 1.00 0.14 H new ATOM 0 HH21 ARG A 6 -1.981 0.289 9.439 1.00 14.22 H new ATOM 0 HH22 ARG A 6 -3.537 0.894 10.015 1.00 14.22 H new ATOM 107 N PHE A 7 -1.358 -5.659 2.880 1.00 45.02 N ATOM 108 CA PHE A 7 -1.358 -6.722 1.858 1.00 12.32 C ATOM 109 C PHE A 7 -1.257 -8.119 2.497 1.00 10.22 C ATOM 110 O PHE A 7 -0.591 -8.297 3.516 1.00 12.30 O ATOM 111 CB PHE A 7 -0.178 -6.545 0.887 1.00 73.00 C ATOM 112 CG PHE A 7 -0.226 -5.286 0.056 1.00 1.05 C ATOM 113 CD1 PHE A 7 -0.978 -5.235 -1.110 1.00 2.10 C ATOM 114 CD2 PHE A 7 0.495 -4.161 0.431 1.00 31.33 C ATOM 115 CE1 PHE A 7 -1.011 -4.089 -1.882 1.00 22.02 C ATOM 116 CE2 PHE A 7 0.463 -3.015 -0.338 1.00 32.13 C ATOM 117 CZ PHE A 7 -0.291 -2.979 -1.495 1.00 54.41 C ATOM 0 H PHE A 7 -0.459 -5.527 3.343 1.00 45.02 H new ATOM 0 HA PHE A 7 -2.301 -6.641 1.318 1.00 12.32 H new ATOM 0 HB2 PHE A 7 0.749 -6.551 1.460 1.00 73.00 H new ATOM 0 HB3 PHE A 7 -0.144 -7.405 0.217 1.00 73.00 H new ATOM 0 HD1 PHE A 7 -1.544 -6.102 -1.418 1.00 2.10 H new ATOM 0 HD2 PHE A 7 1.087 -4.182 1.334 1.00 31.33 H new ATOM 0 HE1 PHE A 7 -1.600 -4.063 -2.787 1.00 22.02 H new ATOM 0 HE2 PHE A 7 1.028 -2.146 -0.035 1.00 32.13 H new ATOM 0 HZ PHE A 7 -0.316 -2.082 -2.096 1.00 54.41 H new ATOM 127 N ARG A 8 -1.912 -9.106 1.892 1.00 3.40 N ATOM 128 CA ARG A 8 -1.761 -10.507 2.300 1.00 52.31 C ATOM 129 C ARG A 8 -1.781 -11.424 1.072 1.00 63.01 C ATOM 130 O ARG A 8 -2.769 -11.463 0.336 1.00 73.44 O ATOM 131 CB ARG A 8 -2.869 -10.921 3.282 1.00 3.20 C ATOM 132 CG ARG A 8 -2.713 -12.350 3.803 1.00 40.25 C ATOM 133 CD ARG A 8 -3.798 -12.724 4.812 1.00 65.44 C ATOM 134 NE ARG A 8 -5.142 -12.673 4.235 1.00 61.31 N ATOM 135 CZ ARG A 8 -5.690 -13.647 3.556 1.00 73.50 C ATOM 136 NH1 ARG A 8 -5.031 -14.736 3.307 1.00 2.45 N ATOM 137 NH2 ARG A 8 -6.904 -13.527 3.132 1.00 63.22 N ATOM 0 H ARG A 8 -2.556 -8.964 1.114 1.00 3.40 H new ATOM 0 HA ARG A 8 -0.801 -10.607 2.806 1.00 52.31 H new ATOM 0 HB2 ARG A 8 -2.872 -10.232 4.127 1.00 3.20 H new ATOM 0 HB3 ARG A 8 -3.836 -10.825 2.789 1.00 3.20 H new ATOM 0 HG2 ARG A 8 -2.746 -13.045 2.964 1.00 40.25 H new ATOM 0 HG3 ARG A 8 -1.734 -12.459 4.269 1.00 40.25 H new ATOM 0 HD2 ARG A 8 -3.607 -13.728 5.191 1.00 65.44 H new ATOM 0 HD3 ARG A 8 -3.746 -12.046 5.664 1.00 65.44 H new ATOM 0 HE ARG A 8 -5.687 -11.822 4.371 1.00 61.31 H new ATOM 0 HH11 ARG A 8 -4.073 -14.840 3.642 1.00 2.45 H new ATOM 0 HH12 ARG A 8 -5.471 -15.488 2.776 1.00 2.45 H new ATOM 0 HH21 ARG A 8 -7.431 -12.676 3.327 1.00 63.22 H new ATOM 0 HH22 ARG A 8 -7.336 -14.284 2.602 1.00 63.22 H new ATOM 151 N GLY A 9 -0.704 -12.172 0.859 1.00 52.40 N ATOM 152 CA GLY A 9 -0.604 -13.010 -0.331 1.00 43.12 C ATOM 153 C GLY A 9 0.203 -14.282 -0.117 1.00 34.52 C ATOM 154 O GLY A 9 1.002 -14.373 0.814 1.00 3.21 O ATOM 0 H GLY A 9 0.101 -12.216 1.484 1.00 52.40 H new ATOM 0 HA2 GLY A 9 -1.608 -13.278 -0.661 1.00 43.12 H new ATOM 0 HA3 GLY A 9 -0.148 -12.432 -1.135 1.00 43.12 H new ATOM 158 N ASP A 10 -0.010 -15.262 -0.990 1.00 61.32 N ATOM 159 CA ASP A 10 0.680 -16.551 -0.908 1.00 41.34 C ATOM 160 C ASP A 10 1.989 -16.562 -1.721 1.00 42.52 C ATOM 161 O ASP A 10 2.810 -17.468 -1.569 1.00 54.01 O ATOM 162 CB ASP A 10 -0.258 -17.662 -1.392 1.00 73.53 C ATOM 163 CG ASP A 10 -0.813 -17.389 -2.782 1.00 42.35 C ATOM 164 OD1 ASP A 10 -1.637 -16.462 -2.928 1.00 2.13 O ATOM 165 OD2 ASP A 10 -0.428 -18.099 -3.736 1.00 63.33 O ATOM 0 H ASP A 10 -0.662 -15.189 -1.771 1.00 61.32 H new ATOM 0 HA ASP A 10 0.951 -16.723 0.134 1.00 41.34 H new ATOM 0 HB2 ASP A 10 0.280 -18.610 -1.398 1.00 73.53 H new ATOM 0 HB3 ASP A 10 -1.084 -17.768 -0.689 1.00 73.53 H new ATOM 170 N ASP A 11 2.181 -15.556 -2.574 1.00 62.45 N ATOM 171 CA ASP A 11 3.362 -15.488 -3.447 1.00 20.23 C ATOM 172 C ASP A 11 4.603 -14.956 -2.698 1.00 10.13 C ATOM 173 O ASP A 11 4.488 -14.326 -1.644 1.00 42.41 O ATOM 174 CB ASP A 11 3.055 -14.598 -4.660 1.00 51.33 C ATOM 175 CG ASP A 11 4.148 -14.646 -5.719 1.00 20.10 C ATOM 176 OD1 ASP A 11 4.088 -15.527 -6.601 1.00 65.31 O ATOM 177 OD2 ASP A 11 5.077 -13.818 -5.662 1.00 34.15 O ATOM 0 H ASP A 11 1.535 -14.774 -2.682 1.00 62.45 H new ATOM 0 HA ASP A 11 3.592 -16.500 -3.780 1.00 20.23 H new ATOM 0 HB2 ASP A 11 2.110 -14.911 -5.105 1.00 51.33 H new ATOM 0 HB3 ASP A 11 2.924 -13.569 -4.326 1.00 51.33 H new ATOM 182 N LEU A 12 5.787 -15.215 -3.256 1.00 41.44 N ATOM 183 CA LEU A 12 7.053 -14.746 -2.672 1.00 23.24 C ATOM 184 C LEU A 12 7.391 -13.312 -3.123 1.00 1.52 C ATOM 185 O LEU A 12 7.528 -12.403 -2.299 1.00 70.31 O ATOM 186 CB LEU A 12 8.196 -15.700 -3.063 1.00 33.05 C ATOM 187 CG LEU A 12 9.600 -15.293 -2.574 1.00 22.32 C ATOM 188 CD1 LEU A 12 9.661 -15.255 -1.048 1.00 75.24 C ATOM 189 CD2 LEU A 12 10.662 -16.238 -3.136 1.00 44.02 C ATOM 0 H LEU A 12 5.900 -15.750 -4.117 1.00 41.44 H new ATOM 0 HA LEU A 12 6.937 -14.737 -1.588 1.00 23.24 H new ATOM 0 HB2 LEU A 12 7.968 -16.691 -2.671 1.00 33.05 H new ATOM 0 HB3 LEU A 12 8.219 -15.784 -4.150 1.00 33.05 H new ATOM 0 HG LEU A 12 9.807 -14.288 -2.942 1.00 22.32 H new ATOM 0 HD11 LEU A 12 10.663 -14.965 -0.731 1.00 75.24 H new ATOM 0 HD12 LEU A 12 8.938 -14.531 -0.673 1.00 75.24 H new ATOM 0 HD13 LEU A 12 9.426 -16.242 -0.650 1.00 75.24 H new ATOM 0 HD21 LEU A 12 11.646 -15.933 -2.779 1.00 44.02 H new ATOM 0 HD22 LEU A 12 10.455 -17.256 -2.805 1.00 44.02 H new ATOM 0 HD23 LEU A 12 10.643 -16.200 -4.225 1.00 44.02 H new ATOM 201 N GLU A 13 7.506 -13.110 -4.435 1.00 43.23 N ATOM 202 CA GLU A 13 7.921 -11.811 -4.983 1.00 22.33 C ATOM 203 C GLU A 13 6.875 -10.721 -4.729 1.00 62.31 C ATOM 204 O GLU A 13 7.224 -9.550 -4.572 1.00 2.04 O ATOM 205 CB GLU A 13 8.198 -11.910 -6.491 1.00 30.10 C ATOM 206 CG GLU A 13 9.417 -12.751 -6.857 1.00 15.41 C ATOM 207 CD GLU A 13 9.789 -12.620 -8.329 1.00 55.54 C ATOM 208 OE1 GLU A 13 10.570 -11.711 -8.674 1.00 3.34 O ATOM 209 OE2 GLU A 13 9.287 -13.413 -9.153 1.00 14.35 O ATOM 0 H GLU A 13 7.319 -13.824 -5.139 1.00 43.23 H new ATOM 0 HA GLU A 13 8.839 -11.534 -4.465 1.00 22.33 H new ATOM 0 HB2 GLU A 13 7.321 -12.332 -6.982 1.00 30.10 H new ATOM 0 HB3 GLU A 13 8.333 -10.904 -6.889 1.00 30.10 H new ATOM 0 HG2 GLU A 13 10.264 -12.446 -6.242 1.00 15.41 H new ATOM 0 HG3 GLU A 13 9.216 -13.797 -6.627 1.00 15.41 H new ATOM 216 N ALA A 14 5.602 -11.110 -4.667 1.00 10.45 N ATOM 217 CA ALA A 14 4.498 -10.155 -4.489 1.00 51.53 C ATOM 218 C ALA A 14 4.714 -9.247 -3.270 1.00 42.45 C ATOM 219 O ALA A 14 4.322 -8.078 -3.277 1.00 64.01 O ATOM 220 CB ALA A 14 3.177 -10.901 -4.355 1.00 4.33 C ATOM 0 H ALA A 14 5.304 -12.083 -4.737 1.00 10.45 H new ATOM 0 HA ALA A 14 4.470 -9.518 -5.373 1.00 51.53 H new ATOM 0 HB1 ALA A 14 2.366 -10.184 -4.224 1.00 4.33 H new ATOM 0 HB2 ALA A 14 2.999 -11.490 -5.255 1.00 4.33 H new ATOM 0 HB3 ALA A 14 3.219 -11.563 -3.490 1.00 4.33 H new ATOM 226 N PHE A 15 5.350 -9.792 -2.235 1.00 50.42 N ATOM 227 CA PHE A 15 5.700 -9.018 -1.040 1.00 22.44 C ATOM 228 C PHE A 15 6.621 -7.836 -1.392 1.00 62.33 C ATOM 229 O PHE A 15 6.332 -6.683 -1.063 1.00 12.14 O ATOM 230 CB PHE A 15 6.390 -9.933 -0.014 1.00 32.45 C ATOM 231 CG PHE A 15 6.962 -9.201 1.178 1.00 72.43 C ATOM 232 CD1 PHE A 15 6.132 -8.727 2.182 1.00 34.44 C ATOM 233 CD2 PHE A 15 8.330 -8.980 1.288 1.00 35.32 C ATOM 234 CE1 PHE A 15 6.652 -8.054 3.270 1.00 24.13 C ATOM 235 CE2 PHE A 15 8.853 -8.304 2.375 1.00 55.42 C ATOM 236 CZ PHE A 15 8.013 -7.840 3.366 1.00 21.22 C ATOM 0 H PHE A 15 5.636 -10.770 -2.198 1.00 50.42 H new ATOM 0 HA PHE A 15 4.782 -8.615 -0.612 1.00 22.44 H new ATOM 0 HB2 PHE A 15 5.671 -10.673 0.338 1.00 32.45 H new ATOM 0 HB3 PHE A 15 7.192 -10.479 -0.511 1.00 32.45 H new ATOM 0 HD1 PHE A 15 5.066 -8.886 2.113 1.00 34.44 H new ATOM 0 HD2 PHE A 15 8.992 -9.341 0.515 1.00 35.32 H new ATOM 0 HE1 PHE A 15 5.993 -7.695 4.047 1.00 24.13 H new ATOM 0 HE2 PHE A 15 9.918 -8.139 2.448 1.00 55.42 H new ATOM 0 HZ PHE A 15 8.419 -7.310 4.215 1.00 21.22 H new ATOM 246 N GLU A 16 7.724 -8.138 -2.073 1.00 23.21 N ATOM 247 CA GLU A 16 8.734 -7.128 -2.408 1.00 4.12 C ATOM 248 C GLU A 16 8.258 -6.191 -3.530 1.00 22.11 C ATOM 249 O GLU A 16 8.544 -4.995 -3.511 1.00 21.34 O ATOM 250 CB GLU A 16 10.048 -7.815 -2.808 1.00 55.44 C ATOM 251 CG GLU A 16 11.213 -6.852 -3.016 1.00 2.00 C ATOM 252 CD GLU A 16 12.530 -7.575 -3.256 1.00 73.12 C ATOM 253 OE1 GLU A 16 13.100 -8.120 -2.286 1.00 4.21 O ATOM 254 OE2 GLU A 16 13.006 -7.604 -4.408 1.00 74.40 O ATOM 0 H GLU A 16 7.945 -9.076 -2.406 1.00 23.21 H new ATOM 0 HA GLU A 16 8.900 -6.516 -1.522 1.00 4.12 H new ATOM 0 HB2 GLU A 16 10.319 -8.536 -2.036 1.00 55.44 H new ATOM 0 HB3 GLU A 16 9.887 -8.378 -3.727 1.00 55.44 H new ATOM 0 HG2 GLU A 16 10.998 -6.204 -3.866 1.00 2.00 H new ATOM 0 HG3 GLU A 16 11.309 -6.209 -2.141 1.00 2.00 H new ATOM 261 N LYS A 17 7.527 -6.739 -4.501 1.00 10.20 N ATOM 262 CA LYS A 17 6.999 -5.948 -5.622 1.00 14.12 C ATOM 263 C LYS A 17 6.076 -4.823 -5.126 1.00 40.10 C ATOM 264 O LYS A 17 6.280 -3.650 -5.443 1.00 5.22 O ATOM 265 CB LYS A 17 6.228 -6.852 -6.596 1.00 45.32 C ATOM 266 CG LYS A 17 7.056 -7.986 -7.195 1.00 63.34 C ATOM 267 CD LYS A 17 8.189 -7.479 -8.086 1.00 44.32 C ATOM 268 CE LYS A 17 8.965 -8.633 -8.711 1.00 13.14 C ATOM 269 NZ LYS A 17 9.975 -8.162 -9.697 1.00 14.20 N ATOM 0 H LYS A 17 7.285 -7.729 -4.537 1.00 10.20 H new ATOM 0 HA LYS A 17 7.847 -5.497 -6.137 1.00 14.12 H new ATOM 0 HB2 LYS A 17 5.372 -7.280 -6.075 1.00 45.32 H new ATOM 0 HB3 LYS A 17 5.834 -6.239 -7.407 1.00 45.32 H new ATOM 0 HG2 LYS A 17 7.474 -8.590 -6.390 1.00 63.34 H new ATOM 0 HG3 LYS A 17 6.405 -8.638 -7.777 1.00 63.34 H new ATOM 0 HD2 LYS A 17 7.779 -6.846 -8.873 1.00 44.32 H new ATOM 0 HD3 LYS A 17 8.866 -6.859 -7.498 1.00 44.32 H new ATOM 0 HE2 LYS A 17 9.464 -9.201 -7.926 1.00 13.14 H new ATOM 0 HE3 LYS A 17 8.269 -9.313 -9.203 1.00 13.14 H new ATOM 0 HZ1 LYS A 17 10.478 -8.980 -10.096 1.00 14.20 H new ATOM 0 HZ2 LYS A 17 9.498 -7.642 -10.461 1.00 14.20 H new ATOM 0 HZ3 LYS A 17 10.656 -7.534 -9.224 1.00 14.20 H new ATOM 283 N ALA A 18 5.066 -5.193 -4.338 1.00 65.32 N ATOM 284 CA ALA A 18 4.113 -4.223 -3.788 1.00 70.44 C ATOM 285 C ALA A 18 4.812 -3.178 -2.901 1.00 40.45 C ATOM 286 O ALA A 18 4.584 -1.976 -3.040 1.00 3.20 O ATOM 287 CB ALA A 18 3.023 -4.946 -3.004 1.00 2.43 C ATOM 0 H ALA A 18 4.885 -6.159 -4.065 1.00 65.32 H new ATOM 0 HA ALA A 18 3.659 -3.690 -4.623 1.00 70.44 H new ATOM 0 HB1 ALA A 18 2.321 -4.217 -2.600 1.00 2.43 H new ATOM 0 HB2 ALA A 18 2.493 -5.632 -3.665 1.00 2.43 H new ATOM 0 HB3 ALA A 18 3.475 -5.507 -2.186 1.00 2.43 H new ATOM 293 N LEU A 19 5.668 -3.651 -1.993 1.00 34.21 N ATOM 294 CA LEU A 19 6.418 -2.767 -1.090 1.00 14.34 C ATOM 295 C LEU A 19 7.301 -1.775 -1.873 1.00 55.51 C ATOM 296 O LEU A 19 7.329 -0.575 -1.576 1.00 53.23 O ATOM 297 CB LEU A 19 7.284 -3.608 -0.138 1.00 54.30 C ATOM 298 CG LEU A 19 8.100 -2.815 0.898 1.00 61.42 C ATOM 299 CD1 LEU A 19 7.181 -2.033 1.836 1.00 13.54 C ATOM 300 CD2 LEU A 19 9.016 -3.748 1.690 1.00 64.21 C ATOM 0 H LEU A 19 5.861 -4.644 -1.861 1.00 34.21 H new ATOM 0 HA LEU A 19 5.699 -2.187 -0.512 1.00 14.34 H new ATOM 0 HB2 LEU A 19 6.636 -4.305 0.393 1.00 54.30 H new ATOM 0 HB3 LEU A 19 7.973 -4.206 -0.735 1.00 54.30 H new ATOM 0 HG LEU A 19 8.722 -2.098 0.362 1.00 61.42 H new ATOM 0 HD11 LEU A 19 7.783 -1.481 2.558 1.00 13.54 H new ATOM 0 HD12 LEU A 19 6.579 -1.334 1.256 1.00 13.54 H new ATOM 0 HD13 LEU A 19 6.525 -2.726 2.364 1.00 13.54 H new ATOM 0 HD21 LEU A 19 9.585 -3.169 2.417 1.00 64.21 H new ATOM 0 HD22 LEU A 19 8.414 -4.493 2.210 1.00 64.21 H new ATOM 0 HD23 LEU A 19 9.703 -4.249 1.008 1.00 64.21 H new ATOM 312 N LYS A 20 8.011 -2.284 -2.881 1.00 30.02 N ATOM 313 CA LYS A 20 8.933 -1.466 -3.675 1.00 43.40 C ATOM 314 C LYS A 20 8.190 -0.365 -4.452 1.00 11.51 C ATOM 315 O LYS A 20 8.645 0.779 -4.503 1.00 62.33 O ATOM 316 CB LYS A 20 9.728 -2.351 -4.652 1.00 2.10 C ATOM 317 CG LYS A 20 10.909 -1.639 -5.313 1.00 11.23 C ATOM 318 CD LYS A 20 11.956 -1.213 -4.285 1.00 3.31 C ATOM 319 CE LYS A 20 13.139 -0.506 -4.935 1.00 32.43 C ATOM 320 NZ LYS A 20 14.174 -0.130 -3.936 1.00 1.50 N ATOM 0 H LYS A 20 7.966 -3.262 -3.169 1.00 30.02 H new ATOM 0 HA LYS A 20 9.622 -0.983 -2.983 1.00 43.40 H new ATOM 0 HB2 LYS A 20 10.097 -3.225 -4.116 1.00 2.10 H new ATOM 0 HB3 LYS A 20 9.054 -2.714 -5.428 1.00 2.10 H new ATOM 0 HG2 LYS A 20 11.368 -2.300 -6.048 1.00 11.23 H new ATOM 0 HG3 LYS A 20 10.550 -0.762 -5.853 1.00 11.23 H new ATOM 0 HD2 LYS A 20 11.496 -0.550 -3.552 1.00 3.31 H new ATOM 0 HD3 LYS A 20 12.311 -2.090 -3.744 1.00 3.31 H new ATOM 0 HE2 LYS A 20 13.581 -1.156 -5.690 1.00 32.43 H new ATOM 0 HE3 LYS A 20 12.789 0.388 -5.451 1.00 32.43 H new ATOM 0 HZ1 LYS A 20 14.963 0.349 -4.416 1.00 1.50 H new ATOM 0 HZ2 LYS A 20 13.759 0.511 -3.230 1.00 1.50 H new ATOM 0 HZ3 LYS A 20 14.526 -0.986 -3.462 1.00 1.50 H new ATOM 334 N GLU A 21 7.049 -0.717 -5.050 1.00 2.33 N ATOM 335 CA GLU A 21 6.244 0.246 -5.817 1.00 60.13 C ATOM 336 C GLU A 21 5.739 1.404 -4.942 1.00 52.23 C ATOM 337 O GLU A 21 5.843 2.571 -5.328 1.00 73.53 O ATOM 338 CB GLU A 21 5.056 -0.456 -6.498 1.00 62.31 C ATOM 339 CG GLU A 21 5.436 -1.250 -7.744 1.00 54.32 C ATOM 340 CD GLU A 21 6.036 -0.367 -8.830 1.00 60.43 C ATOM 341 OE1 GLU A 21 5.335 0.545 -9.319 1.00 42.22 O ATOM 342 OE2 GLU A 21 7.207 -0.581 -9.207 1.00 54.33 O ATOM 0 H GLU A 21 6.660 -1.659 -5.020 1.00 2.33 H new ATOM 0 HA GLU A 21 6.897 0.667 -6.582 1.00 60.13 H new ATOM 0 HB2 GLU A 21 4.585 -1.128 -5.781 1.00 62.31 H new ATOM 0 HB3 GLU A 21 4.312 0.293 -6.770 1.00 62.31 H new ATOM 0 HG2 GLU A 21 6.152 -2.026 -7.473 1.00 54.32 H new ATOM 0 HG3 GLU A 21 4.552 -1.754 -8.135 1.00 54.32 H new ATOM 349 N MET A 22 5.202 1.082 -3.765 1.00 23.22 N ATOM 350 CA MET A 22 4.701 2.114 -2.848 1.00 41.21 C ATOM 351 C MET A 22 5.798 3.134 -2.507 1.00 13.13 C ATOM 352 O MET A 22 5.562 4.342 -2.518 1.00 22.03 O ATOM 353 CB MET A 22 4.147 1.484 -1.560 1.00 3.03 C ATOM 354 CG MET A 22 3.027 0.484 -1.805 1.00 75.54 C ATOM 355 SD MET A 22 1.738 1.125 -2.898 1.00 3.24 S ATOM 356 CE MET A 22 1.217 2.600 -2.028 1.00 52.41 C ATOM 0 H MET A 22 5.102 0.126 -3.424 1.00 23.22 H new ATOM 0 HA MET A 22 3.891 2.637 -3.356 1.00 41.21 H new ATOM 0 HB2 MET A 22 4.959 0.985 -1.031 1.00 3.03 H new ATOM 0 HB3 MET A 22 3.780 2.276 -0.907 1.00 3.03 H new ATOM 0 HG2 MET A 22 3.446 -0.424 -2.239 1.00 75.54 H new ATOM 0 HG3 MET A 22 2.581 0.205 -0.850 1.00 75.54 H new ATOM 0 HE1 MET A 22 0.175 2.814 -2.266 1.00 52.41 H new ATOM 0 HE2 MET A 22 1.320 2.444 -0.954 1.00 52.41 H new ATOM 0 HE3 MET A 22 1.839 3.441 -2.334 1.00 52.41 H new ATOM 366 N ILE A 23 6.998 2.638 -2.213 1.00 53.41 N ATOM 367 CA ILE A 23 8.152 3.509 -1.961 1.00 71.53 C ATOM 368 C ILE A 23 8.553 4.276 -3.238 1.00 0.32 C ATOM 369 O ILE A 23 8.825 5.477 -3.199 1.00 34.14 O ATOM 370 CB ILE A 23 9.366 2.690 -1.445 1.00 50.32 C ATOM 371 CG1 ILE A 23 8.991 1.937 -0.155 1.00 24.11 C ATOM 372 CG2 ILE A 23 10.574 3.601 -1.209 1.00 20.14 C ATOM 373 CD1 ILE A 23 10.099 1.057 0.392 1.00 71.01 C ATOM 0 H ILE A 23 7.200 1.641 -2.143 1.00 53.41 H new ATOM 0 HA ILE A 23 7.858 4.226 -1.194 1.00 71.53 H new ATOM 0 HB ILE A 23 9.639 1.959 -2.206 1.00 50.32 H new ATOM 0 HG12 ILE A 23 8.708 2.663 0.607 1.00 24.11 H new ATOM 0 HG13 ILE A 23 8.114 1.320 -0.349 1.00 24.11 H new ATOM 0 HG21 ILE A 23 11.413 3.006 -0.848 1.00 20.14 H new ATOM 0 HG22 ILE A 23 10.850 4.088 -2.144 1.00 20.14 H new ATOM 0 HG23 ILE A 23 10.320 4.358 -0.467 1.00 20.14 H new ATOM 0 HD11 ILE A 23 9.756 0.562 1.300 1.00 71.01 H new ATOM 0 HD12 ILE A 23 10.368 0.306 -0.351 1.00 71.01 H new ATOM 0 HD13 ILE A 23 10.971 1.670 0.620 1.00 71.01 H new ATOM 385 N ARG A 24 8.567 3.563 -4.368 1.00 11.20 N ATOM 386 CA ARG A 24 8.925 4.133 -5.677 1.00 53.35 C ATOM 387 C ARG A 24 8.098 5.390 -6.005 1.00 15.54 C ATOM 388 O ARG A 24 8.650 6.456 -6.289 1.00 12.11 O ATOM 389 CB ARG A 24 8.732 3.060 -6.763 1.00 62.14 C ATOM 390 CG ARG A 24 8.933 3.551 -8.191 1.00 24.35 C ATOM 391 CD ARG A 24 8.835 2.402 -9.188 1.00 71.52 C ATOM 392 NE ARG A 24 8.853 2.865 -10.575 1.00 43.33 N ATOM 393 CZ ARG A 24 9.899 2.828 -11.355 1.00 23.55 C ATOM 394 NH1 ARG A 24 11.055 2.463 -10.896 1.00 73.33 N ATOM 395 NH2 ARG A 24 9.787 3.184 -12.595 1.00 24.32 N ATOM 0 H ARG A 24 8.330 2.572 -4.404 1.00 11.20 H new ATOM 0 HA ARG A 24 9.970 4.442 -5.643 1.00 53.35 H new ATOM 0 HB2 ARG A 24 9.428 2.243 -6.574 1.00 62.14 H new ATOM 0 HB3 ARG A 24 7.726 2.650 -6.673 1.00 62.14 H new ATOM 0 HG2 ARG A 24 8.183 4.306 -8.428 1.00 24.35 H new ATOM 0 HG3 ARG A 24 9.908 4.031 -8.280 1.00 24.35 H new ATOM 0 HD2 ARG A 24 9.664 1.713 -9.027 1.00 71.52 H new ATOM 0 HD3 ARG A 24 7.917 1.844 -9.006 1.00 71.52 H new ATOM 0 HE ARG A 24 7.988 3.243 -10.960 1.00 43.33 H new ATOM 0 HH11 ARG A 24 11.155 2.201 -9.915 1.00 73.33 H new ATOM 0 HH12 ARG A 24 11.865 2.438 -11.515 1.00 73.33 H new ATOM 0 HH21 ARG A 24 8.885 3.491 -12.958 1.00 24.32 H new ATOM 0 HH22 ARG A 24 10.601 3.157 -13.209 1.00 24.32 H new ATOM 409 N GLN A 25 6.774 5.266 -5.958 1.00 44.10 N ATOM 410 CA GLN A 25 5.884 6.414 -6.181 1.00 53.31 C ATOM 411 C GLN A 25 6.007 7.452 -5.050 1.00 50.21 C ATOM 412 O GLN A 25 5.984 8.660 -5.297 1.00 53.41 O ATOM 413 CB GLN A 25 4.425 5.944 -6.333 1.00 73.01 C ATOM 414 CG GLN A 25 4.068 5.451 -7.737 1.00 3.20 C ATOM 415 CD GLN A 25 4.982 4.344 -8.243 1.00 60.44 C ATOM 416 OE1 GLN A 25 6.004 4.602 -8.875 1.00 31.22 O ATOM 417 NE2 GLN A 25 4.626 3.107 -7.969 1.00 65.11 N ATOM 0 H GLN A 25 6.290 4.388 -5.769 1.00 44.10 H new ATOM 0 HA GLN A 25 6.192 6.899 -7.107 1.00 53.31 H new ATOM 0 HB2 GLN A 25 4.237 5.141 -5.620 1.00 73.01 H new ATOM 0 HB3 GLN A 25 3.761 6.767 -6.069 1.00 73.01 H new ATOM 0 HG2 GLN A 25 3.040 5.090 -7.736 1.00 3.20 H new ATOM 0 HG3 GLN A 25 4.110 6.291 -8.430 1.00 3.20 H new ATOM 0 HE21 GLN A 25 3.771 2.927 -7.442 1.00 65.11 H new ATOM 0 HE22 GLN A 25 5.205 2.328 -8.283 1.00 65.11 H new ATOM 426 N ALA A 26 6.168 6.980 -3.812 1.00 43.14 N ATOM 427 CA ALA A 26 6.314 7.871 -2.651 1.00 71.41 C ATOM 428 C ALA A 26 7.542 8.791 -2.774 1.00 61.33 C ATOM 429 O ALA A 26 7.581 9.870 -2.181 1.00 54.34 O ATOM 430 CB ALA A 26 6.395 7.058 -1.363 1.00 13.12 C ATOM 0 H ALA A 26 6.201 5.986 -3.584 1.00 43.14 H new ATOM 0 HA ALA A 26 5.430 8.508 -2.622 1.00 71.41 H new ATOM 0 HB1 ALA A 26 6.503 7.732 -0.513 1.00 13.12 H new ATOM 0 HB2 ALA A 26 5.485 6.470 -1.246 1.00 13.12 H new ATOM 0 HB3 ALA A 26 7.255 6.390 -1.408 1.00 13.12 H new ATOM 436 N ARG A 27 8.542 8.355 -3.545 1.00 54.41 N ATOM 437 CA ARG A 27 9.753 9.157 -3.787 1.00 50.23 C ATOM 438 C ARG A 27 9.424 10.542 -4.380 1.00 62.02 C ATOM 439 O ARG A 27 10.185 11.494 -4.205 1.00 65.14 O ATOM 440 CB ARG A 27 10.722 8.412 -4.719 1.00 5.42 C ATOM 441 CG ARG A 27 11.275 7.106 -4.146 1.00 11.15 C ATOM 442 CD ARG A 27 12.032 7.323 -2.838 1.00 32.33 C ATOM 443 NE ARG A 27 13.107 8.307 -2.974 1.00 21.20 N ATOM 444 CZ ARG A 27 14.218 8.286 -2.290 1.00 64.21 C ATOM 445 NH1 ARG A 27 14.463 7.332 -1.451 1.00 24.33 N ATOM 446 NH2 ARG A 27 15.088 9.224 -2.464 1.00 63.10 N ATOM 0 H ARG A 27 8.540 7.450 -4.015 1.00 54.41 H new ATOM 0 HA ARG A 27 10.228 9.311 -2.818 1.00 50.23 H new ATOM 0 HB2 ARG A 27 10.210 8.195 -5.656 1.00 5.42 H new ATOM 0 HB3 ARG A 27 11.556 9.072 -4.957 1.00 5.42 H new ATOM 0 HG2 ARG A 27 10.454 6.409 -3.977 1.00 11.15 H new ATOM 0 HG3 ARG A 27 11.940 6.644 -4.876 1.00 11.15 H new ATOM 0 HD2 ARG A 27 11.335 7.654 -2.068 1.00 32.33 H new ATOM 0 HD3 ARG A 27 12.451 6.375 -2.502 1.00 32.33 H new ATOM 0 HE ARG A 27 12.979 9.060 -3.649 1.00 21.20 H new ATOM 0 HH11 ARG A 27 13.783 6.583 -1.317 1.00 24.33 H new ATOM 0 HH12 ARG A 27 15.336 7.329 -0.923 1.00 24.33 H new ATOM 0 HH21 ARG A 27 14.904 9.973 -3.132 1.00 63.10 H new ATOM 0 HH22 ARG A 27 15.959 9.216 -1.934 1.00 63.10 H new ATOM 460 N LYS A 28 8.305 10.640 -5.103 1.00 42.54 N ATOM 461 CA LYS A 28 7.874 11.914 -5.701 1.00 53.34 C ATOM 462 C LYS A 28 7.595 12.984 -4.628 1.00 33.42 C ATOM 463 O LYS A 28 7.688 14.184 -4.898 1.00 10.43 O ATOM 464 CB LYS A 28 6.606 11.718 -6.559 1.00 45.12 C ATOM 465 CG LYS A 28 6.835 11.205 -7.989 1.00 72.13 C ATOM 466 CD LYS A 28 7.342 9.759 -8.051 1.00 55.22 C ATOM 467 CE LYS A 28 8.864 9.675 -8.041 1.00 4.42 C ATOM 468 NZ LYS A 28 9.343 8.274 -8.166 1.00 2.13 N ATOM 0 H LYS A 28 7.680 9.856 -5.290 1.00 42.54 H new ATOM 0 HA LYS A 28 8.693 12.258 -6.332 1.00 53.34 H new ATOM 0 HB2 LYS A 28 5.947 11.019 -6.044 1.00 45.12 H new ATOM 0 HB3 LYS A 28 6.079 12.670 -6.616 1.00 45.12 H new ATOM 0 HG2 LYS A 28 5.901 11.277 -8.546 1.00 72.13 H new ATOM 0 HG3 LYS A 28 7.554 11.855 -8.488 1.00 72.13 H new ATOM 0 HD2 LYS A 28 6.945 9.201 -7.203 1.00 55.22 H new ATOM 0 HD3 LYS A 28 6.961 9.282 -8.954 1.00 55.22 H new ATOM 0 HE2 LYS A 28 9.266 10.270 -8.861 1.00 4.42 H new ATOM 0 HE3 LYS A 28 9.245 10.108 -7.116 1.00 4.42 H new ATOM 0 HZ1 LYS A 28 10.367 8.240 -7.986 1.00 2.13 H new ATOM 0 HZ2 LYS A 28 8.850 7.675 -7.473 1.00 2.13 H new ATOM 0 HZ3 LYS A 28 9.148 7.925 -9.126 1.00 2.13 H new ATOM 482 N PHE A 29 7.258 12.543 -3.416 1.00 20.42 N ATOM 483 CA PHE A 29 6.837 13.457 -2.345 1.00 63.43 C ATOM 484 C PHE A 29 7.786 13.408 -1.138 1.00 54.01 C ATOM 485 O PHE A 29 8.684 12.568 -1.060 1.00 20.12 O ATOM 486 CB PHE A 29 5.415 13.099 -1.886 1.00 72.30 C ATOM 487 CG PHE A 29 4.451 12.867 -3.023 1.00 64.50 C ATOM 488 CD1 PHE A 29 3.817 13.933 -3.647 1.00 71.23 C ATOM 489 CD2 PHE A 29 4.186 11.580 -3.474 1.00 62.35 C ATOM 490 CE1 PHE A 29 2.940 13.717 -4.693 1.00 60.54 C ATOM 491 CE2 PHE A 29 3.310 11.362 -4.519 1.00 34.42 C ATOM 492 CZ PHE A 29 2.687 12.430 -5.129 1.00 43.40 C ATOM 0 H PHE A 29 7.267 11.559 -3.148 1.00 20.42 H new ATOM 0 HA PHE A 29 6.861 14.468 -2.751 1.00 63.43 H new ATOM 0 HB2 PHE A 29 5.457 12.202 -1.268 1.00 72.30 H new ATOM 0 HB3 PHE A 29 5.033 13.902 -1.256 1.00 72.30 H new ATOM 0 HD1 PHE A 29 4.011 14.941 -3.312 1.00 71.23 H new ATOM 0 HD2 PHE A 29 4.671 10.739 -3.001 1.00 62.35 H new ATOM 0 HE1 PHE A 29 2.452 14.554 -5.170 1.00 60.54 H new ATOM 0 HE2 PHE A 29 3.113 10.356 -4.858 1.00 34.42 H new ATOM 0 HZ PHE A 29 2.002 12.261 -5.947 1.00 43.40 H new ATOM 502 N ALA A 30 7.580 14.323 -0.196 1.00 75.03 N ATOM 503 CA ALA A 30 8.317 14.314 1.067 1.00 14.01 C ATOM 504 C ALA A 30 7.446 13.744 2.196 1.00 33.14 C ATOM 505 O ALA A 30 6.701 14.478 2.850 1.00 33.13 O ATOM 506 CB ALA A 30 8.790 15.722 1.412 1.00 21.15 C ATOM 0 H ALA A 30 6.906 15.084 -0.282 1.00 75.03 H new ATOM 0 HA ALA A 30 9.191 13.673 0.955 1.00 14.01 H new ATOM 0 HB1 ALA A 30 9.337 15.701 2.354 1.00 21.15 H new ATOM 0 HB2 ALA A 30 9.443 16.090 0.621 1.00 21.15 H new ATOM 0 HB3 ALA A 30 7.928 16.382 1.507 1.00 21.15 H new ATOM 512 N GLY A 31 7.515 12.431 2.402 1.00 52.00 N ATOM 513 CA GLY A 31 6.679 11.783 3.410 1.00 41.31 C ATOM 514 C GLY A 31 7.299 10.516 3.985 1.00 2.11 C ATOM 515 O GLY A 31 8.242 9.955 3.418 1.00 14.33 O ATOM 0 H GLY A 31 8.133 11.801 1.891 1.00 52.00 H new ATOM 0 HA2 GLY A 31 6.489 12.486 4.221 1.00 41.31 H new ATOM 0 HA3 GLY A 31 5.713 11.538 2.968 1.00 41.31 H new ATOM 519 N THR A 32 6.758 10.055 5.109 1.00 73.53 N ATOM 520 CA THR A 32 7.282 8.869 5.800 1.00 1.41 C ATOM 521 C THR A 32 6.509 7.602 5.412 1.00 35.53 C ATOM 522 O THR A 32 5.287 7.537 5.564 1.00 72.21 O ATOM 523 CB THR A 32 7.225 9.036 7.340 1.00 53.42 C ATOM 524 OG1 THR A 32 7.981 10.192 7.747 1.00 33.10 O ATOM 525 CG2 THR A 32 7.770 7.797 8.047 1.00 21.53 C ATOM 0 H THR A 32 5.953 10.483 5.567 1.00 73.53 H new ATOM 0 HA THR A 32 8.321 8.766 5.487 1.00 1.41 H new ATOM 0 HB THR A 32 6.180 9.168 7.622 1.00 53.42 H new ATOM 0 HG1 THR A 32 7.935 10.286 8.721 1.00 33.10 H new ATOM 0 HG21 THR A 32 7.718 7.942 9.126 1.00 21.53 H new ATOM 0 HG22 THR A 32 7.175 6.928 7.768 1.00 21.53 H new ATOM 0 HG23 THR A 32 8.807 7.636 7.752 1.00 21.53 H new ATOM 533 N VAL A 33 7.230 6.604 4.907 1.00 35.13 N ATOM 534 CA VAL A 33 6.643 5.297 4.582 1.00 5.03 C ATOM 535 C VAL A 33 7.242 4.199 5.476 1.00 22.12 C ATOM 536 O VAL A 33 8.452 3.963 5.458 1.00 71.40 O ATOM 537 CB VAL A 33 6.875 4.921 3.094 1.00 70.11 C ATOM 538 CG1 VAL A 33 6.247 3.564 2.770 1.00 32.32 C ATOM 539 CG2 VAL A 33 6.330 6.010 2.170 1.00 41.32 C ATOM 0 H VAL A 33 8.229 6.672 4.711 1.00 35.13 H new ATOM 0 HA VAL A 33 5.570 5.373 4.760 1.00 5.03 H new ATOM 0 HB VAL A 33 7.949 4.842 2.927 1.00 70.11 H new ATOM 0 HG11 VAL A 33 6.423 3.323 1.722 1.00 32.32 H new ATOM 0 HG12 VAL A 33 6.696 2.796 3.400 1.00 32.32 H new ATOM 0 HG13 VAL A 33 5.174 3.606 2.958 1.00 32.32 H new ATOM 0 HG21 VAL A 33 6.503 5.726 1.132 1.00 41.32 H new ATOM 0 HG22 VAL A 33 5.260 6.130 2.340 1.00 41.32 H new ATOM 0 HG23 VAL A 33 6.838 6.952 2.378 1.00 41.32 H new ATOM 549 N THR A 34 6.395 3.534 6.260 1.00 23.33 N ATOM 550 CA THR A 34 6.849 2.457 7.155 1.00 62.12 C ATOM 551 C THR A 34 5.983 1.201 7.004 1.00 14.30 C ATOM 552 O THR A 34 4.883 1.258 6.452 1.00 4.14 O ATOM 553 CB THR A 34 6.847 2.895 8.640 1.00 22.32 C ATOM 554 OG1 THR A 34 7.331 1.825 9.469 1.00 64.54 O ATOM 555 CG2 THR A 34 5.448 3.302 9.094 1.00 25.34 C ATOM 0 H THR A 34 5.392 3.717 6.298 1.00 23.33 H new ATOM 0 HA THR A 34 7.873 2.228 6.859 1.00 62.12 H new ATOM 0 HB THR A 34 7.504 3.759 8.737 1.00 22.32 H new ATOM 0 HG1 THR A 34 7.328 2.111 10.406 1.00 64.54 H new ATOM 0 HG21 THR A 34 5.479 3.604 10.141 1.00 25.34 H new ATOM 0 HG22 THR A 34 5.096 4.135 8.486 1.00 25.34 H new ATOM 0 HG23 THR A 34 4.768 2.457 8.980 1.00 25.34 H new ATOM 563 N TYR A 35 6.473 0.071 7.510 1.00 50.34 N ATOM 564 CA TYR A 35 5.765 -1.206 7.369 1.00 4.02 C ATOM 565 C TYR A 35 6.148 -2.195 8.485 1.00 42.31 C ATOM 566 O TYR A 35 7.281 -2.203 8.963 1.00 62.42 O ATOM 567 CB TYR A 35 6.056 -1.827 5.992 1.00 14.04 C ATOM 568 CG TYR A 35 7.506 -2.241 5.787 1.00 65.23 C ATOM 569 CD1 TYR A 35 8.469 -1.316 5.393 1.00 65.21 C ATOM 570 CD2 TYR A 35 7.908 -3.559 5.985 1.00 51.32 C ATOM 571 CE1 TYR A 35 9.787 -1.694 5.208 1.00 54.04 C ATOM 572 CE2 TYR A 35 9.220 -3.943 5.803 1.00 73.55 C ATOM 573 CZ TYR A 35 10.155 -3.010 5.411 1.00 14.44 C ATOM 574 OH TYR A 35 11.468 -3.394 5.227 1.00 63.22 O ATOM 0 H TYR A 35 7.354 0.010 8.020 1.00 50.34 H new ATOM 0 HA TYR A 35 4.698 -1.002 7.455 1.00 4.02 H new ATOM 0 HB2 TYR A 35 5.418 -2.701 5.858 1.00 14.04 H new ATOM 0 HB3 TYR A 35 5.782 -1.111 5.218 1.00 14.04 H new ATOM 0 HD1 TYR A 35 8.183 -0.288 5.229 1.00 65.21 H new ATOM 0 HD2 TYR A 35 7.178 -4.295 6.287 1.00 51.32 H new ATOM 0 HE1 TYR A 35 10.524 -0.964 4.907 1.00 54.04 H new ATOM 0 HE2 TYR A 35 9.513 -4.970 5.967 1.00 73.55 H new ATOM 0 HH TYR A 35 11.558 -4.352 5.412 1.00 63.22 H new ATOM 584 N THR A 36 5.194 -3.027 8.890 1.00 12.22 N ATOM 585 CA THR A 36 5.428 -4.048 9.924 1.00 0.24 C ATOM 586 C THR A 36 4.781 -5.388 9.545 1.00 53.21 C ATOM 587 O THR A 36 3.656 -5.428 9.046 1.00 44.25 O ATOM 588 CB THR A 36 4.894 -3.589 11.306 1.00 11.42 C ATOM 589 OG1 THR A 36 4.792 -4.707 12.205 1.00 12.31 O ATOM 590 CG2 THR A 36 3.535 -2.915 11.175 1.00 74.14 C ATOM 0 H THR A 36 4.244 -3.019 8.520 1.00 12.22 H new ATOM 0 HA THR A 36 6.507 -4.185 9.992 1.00 0.24 H new ATOM 0 HB THR A 36 5.603 -2.866 11.709 1.00 11.42 H new ATOM 0 HG1 THR A 36 4.455 -4.400 13.072 1.00 12.31 H new ATOM 0 HG21 THR A 36 3.187 -2.604 12.160 1.00 74.14 H new ATOM 0 HG22 THR A 36 3.623 -2.042 10.529 1.00 74.14 H new ATOM 0 HG23 THR A 36 2.821 -3.616 10.742 1.00 74.14 H new ATOM 598 N LEU A 37 5.505 -6.486 9.771 1.00 45.40 N ATOM 599 CA LEU A 37 5.007 -7.832 9.448 1.00 22.15 C ATOM 600 C LEU A 37 4.195 -8.427 10.608 1.00 60.35 C ATOM 601 O LEU A 37 4.644 -8.435 11.758 1.00 32.23 O ATOM 602 CB LEU A 37 6.172 -8.777 9.094 1.00 60.42 C ATOM 603 CG LEU A 37 6.785 -8.603 7.691 1.00 14.41 C ATOM 604 CD1 LEU A 37 5.725 -8.813 6.612 1.00 41.51 C ATOM 605 CD2 LEU A 37 7.452 -7.234 7.544 1.00 22.31 C ATOM 0 H LEU A 37 6.441 -6.473 10.177 1.00 45.40 H new ATOM 0 HA LEU A 37 4.351 -7.733 8.583 1.00 22.15 H new ATOM 0 HB2 LEU A 37 6.962 -8.639 9.833 1.00 60.42 H new ATOM 0 HB3 LEU A 37 5.821 -9.805 9.190 1.00 60.42 H new ATOM 0 HG LEU A 37 7.557 -9.362 7.564 1.00 14.41 H new ATOM 0 HD11 LEU A 37 6.177 -8.686 5.628 1.00 41.51 H new ATOM 0 HD12 LEU A 37 5.315 -9.819 6.696 1.00 41.51 H new ATOM 0 HD13 LEU A 37 4.925 -8.084 6.741 1.00 41.51 H new ATOM 0 HD21 LEU A 37 7.875 -7.141 6.544 1.00 22.31 H new ATOM 0 HD22 LEU A 37 6.711 -6.450 7.699 1.00 22.31 H new ATOM 0 HD23 LEU A 37 8.246 -7.135 8.284 1.00 22.31 H new ATOM 617 N ASP A 38 3.006 -8.936 10.296 1.00 34.51 N ATOM 618 CA ASP A 38 2.143 -9.565 11.298 1.00 13.34 C ATOM 619 C ASP A 38 1.605 -10.916 10.789 1.00 75.15 C ATOM 620 O ASP A 38 0.745 -10.965 9.911 1.00 72.13 O ATOM 621 CB ASP A 38 0.985 -8.624 11.659 1.00 33.52 C ATOM 622 CG ASP A 38 0.145 -9.149 12.810 1.00 34.04 C ATOM 623 OD1 ASP A 38 0.606 -9.074 13.967 1.00 31.22 O ATOM 624 OD2 ASP A 38 -0.973 -9.644 12.565 1.00 71.12 O ATOM 0 H ASP A 38 2.615 -8.926 9.354 1.00 34.51 H new ATOM 0 HA ASP A 38 2.734 -9.755 12.194 1.00 13.34 H new ATOM 0 HB2 ASP A 38 1.386 -7.645 11.923 1.00 33.52 H new ATOM 0 HB3 ASP A 38 0.350 -8.483 10.785 1.00 33.52 H new ATOM 629 N GLY A 39 2.140 -12.008 11.330 1.00 52.50 N ATOM 630 CA GLY A 39 1.699 -13.342 10.935 1.00 44.24 C ATOM 631 C GLY A 39 2.000 -13.671 9.473 1.00 44.55 C ATOM 632 O GLY A 39 3.112 -14.083 9.136 1.00 54.33 O ATOM 0 H GLY A 39 2.874 -11.996 12.038 1.00 52.50 H new ATOM 0 HA2 GLY A 39 2.183 -14.081 11.573 1.00 44.24 H new ATOM 0 HA3 GLY A 39 0.626 -13.428 11.106 1.00 44.24 H new ATOM 636 N ASN A 40 1.007 -13.490 8.603 1.00 3.03 N ATOM 637 CA ASN A 40 1.164 -13.784 7.171 1.00 40.35 C ATOM 638 C ASN A 40 0.808 -12.574 6.288 1.00 32.05 C ATOM 639 O ASN A 40 0.696 -12.702 5.067 1.00 50.51 O ATOM 640 CB ASN A 40 0.292 -14.987 6.783 1.00 45.05 C ATOM 641 CG ASN A 40 0.724 -16.265 7.484 1.00 24.40 C ATOM 642 OD1 ASN A 40 0.259 -16.580 8.577 1.00 2.53 O ATOM 643 ND2 ASN A 40 1.623 -17.008 6.867 1.00 63.40 N ATOM 0 H ASN A 40 0.084 -13.141 8.861 1.00 3.03 H new ATOM 0 HA ASN A 40 2.215 -14.019 7.000 1.00 40.35 H new ATOM 0 HB2 ASN A 40 -0.748 -14.774 7.030 1.00 45.05 H new ATOM 0 HB3 ASN A 40 0.339 -15.134 5.704 1.00 45.05 H new ATOM 0 HD21 ASN A 40 1.952 -17.872 7.297 1.00 63.40 H new ATOM 0 HD22 ASN A 40 1.989 -16.718 5.960 1.00 63.40 H new ATOM 650 N ASP A 41 0.641 -11.401 6.898 1.00 35.42 N ATOM 651 CA ASP A 41 0.294 -10.190 6.146 1.00 64.15 C ATOM 652 C ASP A 41 1.171 -8.984 6.537 1.00 30.01 C ATOM 653 O ASP A 41 1.782 -8.955 7.609 1.00 53.45 O ATOM 654 CB ASP A 41 -1.194 -9.868 6.320 1.00 12.53 C ATOM 655 CG ASP A 41 -1.605 -9.681 7.769 1.00 22.24 C ATOM 656 OD1 ASP A 41 -1.832 -10.693 8.469 1.00 4.53 O ATOM 657 OD2 ASP A 41 -1.736 -8.521 8.206 1.00 24.40 O ATOM 0 H ASP A 41 0.739 -11.261 7.904 1.00 35.42 H new ATOM 0 HA ASP A 41 0.492 -10.390 5.093 1.00 64.15 H new ATOM 0 HB2 ASP A 41 -1.429 -8.961 5.763 1.00 12.53 H new ATOM 0 HB3 ASP A 41 -1.786 -10.672 5.883 1.00 12.53 H new ATOM 662 N LEU A 42 1.236 -7.999 5.640 1.00 74.14 N ATOM 663 CA LEU A 42 2.075 -6.810 5.826 1.00 62.33 C ATOM 664 C LEU A 42 1.228 -5.557 6.101 1.00 44.11 C ATOM 665 O LEU A 42 0.338 -5.213 5.321 1.00 33.22 O ATOM 666 CB LEU A 42 2.937 -6.592 4.573 1.00 4.14 C ATOM 667 CG LEU A 42 3.824 -5.335 4.588 1.00 3.11 C ATOM 668 CD1 LEU A 42 4.813 -5.386 5.747 1.00 5.53 C ATOM 669 CD2 LEU A 42 4.554 -5.172 3.255 1.00 35.55 C ATOM 0 H LEU A 42 0.711 -8.001 4.766 1.00 74.14 H new ATOM 0 HA LEU A 42 2.713 -6.977 6.694 1.00 62.33 H new ATOM 0 HB2 LEU A 42 3.576 -7.464 4.437 1.00 4.14 H new ATOM 0 HB3 LEU A 42 2.279 -6.541 3.705 1.00 4.14 H new ATOM 0 HG LEU A 42 3.182 -4.466 4.730 1.00 3.11 H new ATOM 0 HD11 LEU A 42 5.430 -4.488 5.739 1.00 5.53 H new ATOM 0 HD12 LEU A 42 4.267 -5.443 6.689 1.00 5.53 H new ATOM 0 HD13 LEU A 42 5.450 -6.265 5.643 1.00 5.53 H new ATOM 0 HD21 LEU A 42 5.175 -4.277 3.288 1.00 35.55 H new ATOM 0 HD22 LEU A 42 5.183 -6.044 3.076 1.00 35.55 H new ATOM 0 HD23 LEU A 42 3.825 -5.078 2.450 1.00 35.55 H new ATOM 681 N GLU A 43 1.522 -4.878 7.209 1.00 42.44 N ATOM 682 CA GLU A 43 0.804 -3.655 7.601 1.00 1.01 C ATOM 683 C GLU A 43 1.644 -2.403 7.262 1.00 22.34 C ATOM 684 O GLU A 43 2.667 -2.144 7.896 1.00 71.34 O ATOM 685 CB GLU A 43 0.489 -3.728 9.109 1.00 1.14 C ATOM 686 CG GLU A 43 -0.595 -2.767 9.606 1.00 31.32 C ATOM 687 CD GLU A 43 -0.107 -1.343 9.825 1.00 42.41 C ATOM 688 OE1 GLU A 43 0.526 -1.082 10.873 1.00 31.50 O ATOM 689 OE2 GLU A 43 -0.386 -0.477 8.973 1.00 31.41 O ATOM 0 H GLU A 43 2.258 -5.153 7.859 1.00 42.44 H new ATOM 0 HA GLU A 43 -0.131 -3.578 7.045 1.00 1.01 H new ATOM 0 HB2 GLU A 43 0.184 -4.747 9.349 1.00 1.14 H new ATOM 0 HB3 GLU A 43 1.406 -3.531 9.664 1.00 1.14 H new ATOM 0 HG2 GLU A 43 -1.412 -2.753 8.885 1.00 31.32 H new ATOM 0 HG3 GLU A 43 -1.003 -3.148 10.542 1.00 31.32 H new ATOM 696 N ILE A 44 1.219 -1.649 6.244 1.00 73.23 N ATOM 697 CA ILE A 44 1.962 -0.463 5.780 1.00 23.32 C ATOM 698 C ILE A 44 1.245 0.852 6.140 1.00 44.34 C ATOM 699 O ILE A 44 0.020 0.964 6.021 1.00 42.43 O ATOM 700 CB ILE A 44 2.179 -0.499 4.241 1.00 31.34 C ATOM 701 CG1 ILE A 44 2.892 -1.796 3.821 1.00 25.22 C ATOM 702 CG2 ILE A 44 2.968 0.728 3.774 1.00 31.34 C ATOM 703 CD1 ILE A 44 3.110 -1.917 2.324 1.00 55.02 C ATOM 0 H ILE A 44 0.363 -1.836 5.721 1.00 73.23 H new ATOM 0 HA ILE A 44 2.924 -0.493 6.292 1.00 23.32 H new ATOM 0 HB ILE A 44 1.201 -0.477 3.761 1.00 31.34 H new ATOM 0 HG12 ILE A 44 3.857 -1.849 4.325 1.00 25.22 H new ATOM 0 HG13 ILE A 44 2.306 -2.649 4.164 1.00 25.22 H new ATOM 0 HG21 ILE A 44 3.108 0.681 2.694 1.00 31.34 H new ATOM 0 HG22 ILE A 44 2.418 1.633 4.030 1.00 31.34 H new ATOM 0 HG23 ILE A 44 3.941 0.744 4.265 1.00 31.34 H new ATOM 0 HD11 ILE A 44 3.618 -2.856 2.105 1.00 55.02 H new ATOM 0 HD12 ILE A 44 2.147 -1.897 1.813 1.00 55.02 H new ATOM 0 HD13 ILE A 44 3.722 -1.084 1.977 1.00 55.02 H new ATOM 715 N ARG A 45 2.026 1.852 6.551 1.00 14.33 N ATOM 716 CA ARG A 45 1.504 3.189 6.858 1.00 73.15 C ATOM 717 C ARG A 45 2.250 4.265 6.049 1.00 24.51 C ATOM 718 O ARG A 45 3.479 4.367 6.120 1.00 74.44 O ATOM 719 CB ARG A 45 1.641 3.482 8.360 1.00 35.15 C ATOM 720 CG ARG A 45 1.132 4.863 8.774 1.00 52.33 C ATOM 721 CD ARG A 45 1.418 5.151 10.244 1.00 31.30 C ATOM 722 NE ARG A 45 0.951 6.477 10.656 1.00 4.45 N ATOM 723 CZ ARG A 45 1.321 7.071 11.757 1.00 22.40 C ATOM 724 NH1 ARG A 45 2.207 6.534 12.531 1.00 30.41 N ATOM 725 NH2 ARG A 45 0.829 8.223 12.065 1.00 52.45 N ATOM 0 H ARG A 45 3.034 1.761 6.681 1.00 14.33 H new ATOM 0 HA ARG A 45 0.450 3.213 6.583 1.00 73.15 H new ATOM 0 HB2 ARG A 45 1.095 2.722 8.919 1.00 35.15 H new ATOM 0 HB3 ARG A 45 2.690 3.393 8.643 1.00 35.15 H new ATOM 0 HG2 ARG A 45 1.604 5.626 8.155 1.00 52.33 H new ATOM 0 HG3 ARG A 45 0.059 4.925 8.593 1.00 52.33 H new ATOM 0 HD2 ARG A 45 0.936 4.392 10.860 1.00 31.30 H new ATOM 0 HD3 ARG A 45 2.490 5.075 10.424 1.00 31.30 H new ATOM 0 HE ARG A 45 0.297 6.966 10.045 1.00 4.45 H new ATOM 0 HH11 ARG A 45 2.624 5.637 12.283 1.00 30.41 H new ATOM 0 HH12 ARG A 45 2.489 7.008 13.389 1.00 30.41 H new ATOM 0 HH21 ARG A 45 0.151 8.669 11.448 1.00 52.45 H new ATOM 0 HH22 ARG A 45 1.118 8.687 12.926 1.00 52.45 H new ATOM 739 N ILE A 46 1.507 5.057 5.275 1.00 73.44 N ATOM 740 CA ILE A 46 2.095 6.160 4.498 1.00 24.34 C ATOM 741 C ILE A 46 1.575 7.526 4.978 1.00 2.11 C ATOM 742 O ILE A 46 0.367 7.781 4.971 1.00 61.01 O ATOM 743 CB ILE A 46 1.809 6.001 2.980 1.00 14.32 C ATOM 744 CG1 ILE A 46 2.403 4.679 2.463 1.00 62.42 C ATOM 745 CG2 ILE A 46 2.371 7.190 2.195 1.00 43.25 C ATOM 746 CD1 ILE A 46 2.191 4.447 0.980 1.00 51.13 C ATOM 0 H ILE A 46 0.498 4.959 5.166 1.00 73.44 H new ATOM 0 HA ILE A 46 3.172 6.118 4.659 1.00 24.34 H new ATOM 0 HB ILE A 46 0.729 5.978 2.831 1.00 14.32 H new ATOM 0 HG12 ILE A 46 3.472 4.666 2.673 1.00 62.42 H new ATOM 0 HG13 ILE A 46 1.959 3.852 3.017 1.00 62.42 H new ATOM 0 HG21 ILE A 46 2.160 7.058 1.134 1.00 43.25 H new ATOM 0 HG22 ILE A 46 1.905 8.111 2.546 1.00 43.25 H new ATOM 0 HG23 ILE A 46 3.449 7.249 2.346 1.00 43.25 H new ATOM 0 HD11 ILE A 46 2.638 3.495 0.693 1.00 51.13 H new ATOM 0 HD12 ILE A 46 1.123 4.426 0.764 1.00 51.13 H new ATOM 0 HD13 ILE A 46 2.660 5.253 0.415 1.00 51.13 H new ATOM 758 N THR A 47 2.497 8.397 5.391 1.00 12.02 N ATOM 759 CA THR A 47 2.148 9.730 5.907 1.00 41.11 C ATOM 760 C THR A 47 2.819 10.846 5.091 1.00 74.20 C ATOM 761 O THR A 47 4.037 10.849 4.912 1.00 63.24 O ATOM 762 CB THR A 47 2.570 9.882 7.391 1.00 53.33 C ATOM 763 OG1 THR A 47 1.936 8.873 8.194 1.00 71.43 O ATOM 764 CG2 THR A 47 2.213 11.266 7.934 1.00 50.14 C ATOM 0 H THR A 47 3.499 8.205 5.379 1.00 12.02 H new ATOM 0 HA THR A 47 1.065 9.823 5.821 1.00 41.11 H new ATOM 0 HB THR A 47 3.652 9.762 7.440 1.00 53.33 H new ATOM 0 HG1 THR A 47 1.237 9.284 8.744 1.00 71.43 H new ATOM 0 HG21 THR A 47 2.523 11.339 8.977 1.00 50.14 H new ATOM 0 HG22 THR A 47 2.726 12.030 7.349 1.00 50.14 H new ATOM 0 HG23 THR A 47 1.136 11.418 7.864 1.00 50.14 H new ATOM 772 N GLY A 48 2.016 11.800 4.608 1.00 52.02 N ATOM 773 CA GLY A 48 2.555 12.944 3.867 1.00 5.13 C ATOM 774 C GLY A 48 2.196 12.945 2.378 1.00 41.13 C ATOM 775 O GLY A 48 3.080 13.026 1.519 1.00 50.24 O ATOM 0 H GLY A 48 1.002 11.803 4.715 1.00 52.02 H new ATOM 0 HA2 GLY A 48 2.186 13.864 4.320 1.00 5.13 H new ATOM 0 HA3 GLY A 48 3.640 12.951 3.969 1.00 5.13 H new ATOM 779 N VAL A 49 0.899 12.877 2.065 1.00 1.42 N ATOM 780 CA VAL A 49 0.430 12.864 0.668 1.00 43.15 C ATOM 781 C VAL A 49 -0.743 13.841 0.449 1.00 52.11 C ATOM 782 O VAL A 49 -1.584 14.022 1.335 1.00 53.41 O ATOM 783 CB VAL A 49 -0.008 11.439 0.227 1.00 5.12 C ATOM 784 CG1 VAL A 49 1.189 10.490 0.182 1.00 25.42 C ATOM 785 CG2 VAL A 49 -1.095 10.892 1.151 1.00 74.25 C ATOM 0 H VAL A 49 0.151 12.830 2.757 1.00 1.42 H new ATOM 0 HA VAL A 49 1.275 13.184 0.058 1.00 43.15 H new ATOM 0 HB VAL A 49 -0.422 11.512 -0.779 1.00 5.12 H new ATOM 0 HG11 VAL A 49 0.857 9.500 -0.129 1.00 25.42 H new ATOM 0 HG12 VAL A 49 1.925 10.866 -0.529 1.00 25.42 H new ATOM 0 HG13 VAL A 49 1.641 10.427 1.172 1.00 25.42 H new ATOM 0 HG21 VAL A 49 -1.384 9.894 0.821 1.00 74.25 H new ATOM 0 HG22 VAL A 49 -0.714 10.841 2.171 1.00 74.25 H new ATOM 0 HG23 VAL A 49 -1.963 11.550 1.121 1.00 74.25 H new ATOM 795 N PRO A 50 -0.810 14.493 -0.734 1.00 62.14 N ATOM 796 CA PRO A 50 -1.890 15.444 -1.066 1.00 1.40 C ATOM 797 C PRO A 50 -3.148 14.770 -1.651 1.00 1.31 C ATOM 798 O PRO A 50 -3.099 13.627 -2.114 1.00 65.02 O ATOM 799 CB PRO A 50 -1.222 16.327 -2.119 1.00 43.12 C ATOM 800 CG PRO A 50 -0.302 15.402 -2.851 1.00 72.40 C ATOM 801 CD PRO A 50 0.169 14.379 -1.839 1.00 3.14 C ATOM 0 HA PRO A 50 -2.259 15.969 -0.185 1.00 1.40 H new ATOM 0 HB2 PRO A 50 -1.957 16.770 -2.791 1.00 43.12 H new ATOM 0 HB3 PRO A 50 -0.675 17.150 -1.659 1.00 43.12 H new ATOM 0 HG2 PRO A 50 -0.817 14.919 -3.681 1.00 72.40 H new ATOM 0 HG3 PRO A 50 0.542 15.947 -3.274 1.00 72.40 H new ATOM 0 HD2 PRO A 50 0.179 13.374 -2.262 1.00 3.14 H new ATOM 0 HD3 PRO A 50 1.182 14.591 -1.498 1.00 3.14 H new ATOM 809 N GLU A 51 -4.272 15.494 -1.643 1.00 13.23 N ATOM 810 CA GLU A 51 -5.545 14.967 -2.164 1.00 72.21 C ATOM 811 C GLU A 51 -5.473 14.642 -3.667 1.00 60.45 C ATOM 812 O GLU A 51 -6.056 13.662 -4.129 1.00 2.32 O ATOM 813 CB GLU A 51 -6.685 15.969 -1.924 1.00 42.22 C ATOM 814 CG GLU A 51 -8.026 15.507 -2.493 1.00 0.23 C ATOM 815 CD GLU A 51 -9.083 16.599 -2.500 1.00 55.30 C ATOM 816 OE1 GLU A 51 -8.974 17.530 -3.331 1.00 61.54 O ATOM 817 OE2 GLU A 51 -10.043 16.514 -1.709 1.00 74.41 O ATOM 0 H GLU A 51 -4.330 16.446 -1.282 1.00 13.23 H new ATOM 0 HA GLU A 51 -5.741 14.041 -1.623 1.00 72.21 H new ATOM 0 HB2 GLU A 51 -6.792 16.137 -0.852 1.00 42.22 H new ATOM 0 HB3 GLU A 51 -6.418 16.926 -2.372 1.00 42.22 H new ATOM 0 HG2 GLU A 51 -7.877 15.149 -3.512 1.00 0.23 H new ATOM 0 HG3 GLU A 51 -8.390 14.662 -1.908 1.00 0.23 H new ATOM 824 N GLN A 52 -4.753 15.466 -4.426 1.00 62.11 N ATOM 825 CA GLN A 52 -4.678 15.319 -5.888 1.00 2.05 C ATOM 826 C GLN A 52 -4.095 13.959 -6.321 1.00 14.33 C ATOM 827 O GLN A 52 -4.273 13.537 -7.461 1.00 52.21 O ATOM 828 CB GLN A 52 -3.861 16.471 -6.487 1.00 53.15 C ATOM 829 CG GLN A 52 -2.424 16.545 -5.982 1.00 74.12 C ATOM 830 CD GLN A 52 -1.702 17.791 -6.460 1.00 45.40 C ATOM 831 OE1 GLN A 52 -1.998 18.325 -7.523 1.00 31.32 O ATOM 832 NE2 GLN A 52 -0.756 18.270 -5.683 1.00 13.31 N ATOM 0 H GLN A 52 -4.210 16.246 -4.056 1.00 62.11 H new ATOM 0 HA GLN A 52 -5.698 15.356 -6.270 1.00 2.05 H new ATOM 0 HB2 GLN A 52 -3.848 16.367 -7.572 1.00 53.15 H new ATOM 0 HB3 GLN A 52 -4.362 17.413 -6.263 1.00 53.15 H new ATOM 0 HG2 GLN A 52 -2.424 16.525 -4.892 1.00 74.12 H new ATOM 0 HG3 GLN A 52 -1.879 15.662 -6.317 1.00 74.12 H new ATOM 0 HE21 GLN A 52 -0.533 17.803 -4.804 1.00 13.31 H new ATOM 0 HE22 GLN A 52 -0.245 19.109 -5.959 1.00 13.31 H new ATOM 841 N VAL A 53 -3.402 13.277 -5.408 1.00 2.35 N ATOM 842 CA VAL A 53 -2.853 11.940 -5.688 1.00 33.41 C ATOM 843 C VAL A 53 -3.566 10.858 -4.843 1.00 62.33 C ATOM 844 O VAL A 53 -3.307 9.660 -4.982 1.00 22.32 O ATOM 845 CB VAL A 53 -1.325 11.910 -5.411 1.00 11.43 C ATOM 846 CG1 VAL A 53 -0.690 10.619 -5.923 1.00 41.54 C ATOM 847 CG2 VAL A 53 -0.650 13.132 -6.036 1.00 44.31 C ATOM 0 H VAL A 53 -3.205 13.623 -4.469 1.00 2.35 H new ATOM 0 HA VAL A 53 -3.026 11.722 -6.742 1.00 33.41 H new ATOM 0 HB VAL A 53 -1.177 11.942 -4.332 1.00 11.43 H new ATOM 0 HG11 VAL A 53 0.379 10.631 -5.713 1.00 41.54 H new ATOM 0 HG12 VAL A 53 -1.148 9.765 -5.424 1.00 41.54 H new ATOM 0 HG13 VAL A 53 -0.847 10.538 -6.998 1.00 41.54 H new ATOM 0 HG21 VAL A 53 0.421 13.099 -5.835 1.00 44.31 H new ATOM 0 HG22 VAL A 53 -0.817 13.129 -7.113 1.00 44.31 H new ATOM 0 HG23 VAL A 53 -1.072 14.040 -5.606 1.00 44.31 H new ATOM 857 N ARG A 54 -4.489 11.302 -3.987 1.00 1.24 N ATOM 858 CA ARG A 54 -5.225 10.418 -3.066 1.00 65.54 C ATOM 859 C ARG A 54 -5.887 9.232 -3.790 1.00 0.23 C ATOM 860 O ARG A 54 -5.624 8.067 -3.468 1.00 31.40 O ATOM 861 CB ARG A 54 -6.302 11.226 -2.324 1.00 2.20 C ATOM 862 CG ARG A 54 -7.248 10.398 -1.449 1.00 3.23 C ATOM 863 CD ARG A 54 -6.556 9.826 -0.215 1.00 33.15 C ATOM 864 NE ARG A 54 -5.517 8.852 -0.549 1.00 3.55 N ATOM 865 CZ ARG A 54 -4.494 8.584 0.213 1.00 11.42 C ATOM 866 NH1 ARG A 54 -4.341 9.195 1.347 1.00 13.25 N ATOM 867 NH2 ARG A 54 -3.624 7.707 -0.168 1.00 62.33 N ATOM 0 H ARG A 54 -4.751 12.285 -3.909 1.00 1.24 H new ATOM 0 HA ARG A 54 -4.500 10.010 -2.362 1.00 65.54 H new ATOM 0 HB2 ARG A 54 -5.809 11.969 -1.697 1.00 2.20 H new ATOM 0 HB3 ARG A 54 -6.895 11.771 -3.058 1.00 2.20 H new ATOM 0 HG2 ARG A 54 -8.086 11.021 -1.135 1.00 3.23 H new ATOM 0 HG3 ARG A 54 -7.662 9.581 -2.040 1.00 3.23 H new ATOM 0 HD2 ARG A 54 -6.113 10.641 0.358 1.00 33.15 H new ATOM 0 HD3 ARG A 54 -7.299 9.352 0.426 1.00 33.15 H new ATOM 0 HE ARG A 54 -5.598 8.351 -1.434 1.00 3.55 H new ATOM 0 HH11 ARG A 54 -5.024 9.890 1.648 1.00 13.25 H new ATOM 0 HH12 ARG A 54 -3.538 8.980 1.938 1.00 13.25 H new ATOM 0 HH21 ARG A 54 -3.740 7.228 -1.061 1.00 62.33 H new ATOM 0 HH22 ARG A 54 -2.822 7.494 0.425 1.00 62.33 H new ATOM 881 N LYS A 55 -6.753 9.544 -4.751 1.00 41.20 N ATOM 882 CA LYS A 55 -7.516 8.530 -5.488 1.00 40.34 C ATOM 883 C LYS A 55 -6.600 7.646 -6.347 1.00 1.11 C ATOM 884 O LYS A 55 -6.865 6.454 -6.531 1.00 74.15 O ATOM 885 CB LYS A 55 -8.567 9.220 -6.370 1.00 72.42 C ATOM 886 CG LYS A 55 -9.523 10.121 -5.583 1.00 41.22 C ATOM 887 CD LYS A 55 -10.414 10.956 -6.500 1.00 5.55 C ATOM 888 CE LYS A 55 -11.285 10.087 -7.394 1.00 21.20 C ATOM 889 NZ LYS A 55 -12.124 10.898 -8.316 1.00 20.30 N ATOM 0 H LYS A 55 -6.948 10.502 -5.043 1.00 41.20 H new ATOM 0 HA LYS A 55 -8.011 7.883 -4.764 1.00 40.34 H new ATOM 0 HB2 LYS A 55 -8.060 9.816 -7.129 1.00 72.42 H new ATOM 0 HB3 LYS A 55 -9.145 8.460 -6.896 1.00 72.42 H new ATOM 0 HG2 LYS A 55 -10.147 9.507 -4.934 1.00 41.22 H new ATOM 0 HG3 LYS A 55 -8.947 10.784 -4.937 1.00 41.22 H new ATOM 0 HD2 LYS A 55 -11.048 11.605 -5.896 1.00 5.55 H new ATOM 0 HD3 LYS A 55 -9.792 11.603 -7.118 1.00 5.55 H new ATOM 0 HE2 LYS A 55 -10.652 9.417 -7.975 1.00 21.20 H new ATOM 0 HE3 LYS A 55 -11.928 9.461 -6.775 1.00 21.20 H new ATOM 0 HZ1 LYS A 55 -12.701 10.266 -8.907 1.00 20.30 H new ATOM 0 HZ2 LYS A 55 -12.747 11.520 -7.762 1.00 20.30 H new ATOM 0 HZ3 LYS A 55 -11.511 11.477 -8.925 1.00 20.30 H new ATOM 903 N GLU A 56 -5.523 8.239 -6.861 1.00 42.21 N ATOM 904 CA GLU A 56 -4.540 7.506 -7.666 1.00 72.05 C ATOM 905 C GLU A 56 -3.859 6.402 -6.843 1.00 64.32 C ATOM 906 O GLU A 56 -3.794 5.248 -7.264 1.00 61.43 O ATOM 907 CB GLU A 56 -3.482 8.473 -8.222 1.00 72.43 C ATOM 908 CG GLU A 56 -4.049 9.569 -9.123 1.00 12.32 C ATOM 909 CD GLU A 56 -4.753 9.015 -10.355 1.00 2.12 C ATOM 910 OE1 GLU A 56 -4.067 8.708 -11.353 1.00 14.23 O ATOM 911 OE2 GLU A 56 -5.996 8.875 -10.330 1.00 64.34 O ATOM 0 H GLU A 56 -5.307 9.228 -6.735 1.00 42.21 H new ATOM 0 HA GLU A 56 -5.069 7.036 -8.495 1.00 72.05 H new ATOM 0 HB2 GLU A 56 -2.957 8.939 -7.388 1.00 72.43 H new ATOM 0 HB3 GLU A 56 -2.743 7.902 -8.784 1.00 72.43 H new ATOM 0 HG2 GLU A 56 -4.751 10.176 -8.551 1.00 12.32 H new ATOM 0 HG3 GLU A 56 -3.240 10.229 -9.438 1.00 12.32 H new ATOM 918 N LEU A 57 -3.355 6.764 -5.663 1.00 41.32 N ATOM 919 CA LEU A 57 -2.723 5.792 -4.760 1.00 14.52 C ATOM 920 C LEU A 57 -3.720 4.703 -4.329 1.00 61.53 C ATOM 921 O LEU A 57 -3.366 3.529 -4.218 1.00 40.14 O ATOM 922 CB LEU A 57 -2.161 6.502 -3.521 1.00 53.53 C ATOM 923 CG LEU A 57 -1.048 7.527 -3.800 1.00 53.42 C ATOM 924 CD1 LEU A 57 -0.602 8.212 -2.511 1.00 33.25 C ATOM 925 CD2 LEU A 57 0.141 6.866 -4.499 1.00 34.35 C ATOM 0 H LEU A 57 -3.370 7.720 -5.308 1.00 41.32 H new ATOM 0 HA LEU A 57 -1.907 5.315 -5.302 1.00 14.52 H new ATOM 0 HB2 LEU A 57 -2.980 7.009 -3.010 1.00 53.53 H new ATOM 0 HB3 LEU A 57 -1.775 5.749 -2.834 1.00 53.53 H new ATOM 0 HG LEU A 57 -1.454 8.288 -4.466 1.00 53.42 H new ATOM 0 HD11 LEU A 57 0.185 8.932 -2.735 1.00 33.25 H new ATOM 0 HD12 LEU A 57 -1.450 8.729 -2.062 1.00 33.25 H new ATOM 0 HD13 LEU A 57 -0.223 7.465 -1.814 1.00 33.25 H new ATOM 0 HD21 LEU A 57 0.914 7.612 -4.685 1.00 34.35 H new ATOM 0 HD22 LEU A 57 0.543 6.077 -3.864 1.00 34.35 H new ATOM 0 HD23 LEU A 57 -0.186 6.438 -5.447 1.00 34.35 H new ATOM 937 N ALA A 58 -4.968 5.107 -4.094 1.00 20.22 N ATOM 938 CA ALA A 58 -6.026 4.169 -3.707 1.00 65.12 C ATOM 939 C ALA A 58 -6.269 3.107 -4.793 1.00 53.22 C ATOM 940 O ALA A 58 -6.434 1.923 -4.495 1.00 74.22 O ATOM 941 CB ALA A 58 -7.315 4.926 -3.401 1.00 74.44 C ATOM 0 H ALA A 58 -5.273 6.078 -4.164 1.00 20.22 H new ATOM 0 HA ALA A 58 -5.698 3.648 -2.808 1.00 65.12 H new ATOM 0 HB1 ALA A 58 -8.093 4.219 -3.115 1.00 74.44 H new ATOM 0 HB2 ALA A 58 -7.141 5.625 -2.583 1.00 74.44 H new ATOM 0 HB3 ALA A 58 -7.633 5.476 -4.287 1.00 74.44 H new ATOM 947 N LYS A 59 -6.280 3.538 -6.055 1.00 31.02 N ATOM 948 CA LYS A 59 -6.498 2.626 -7.181 1.00 53.33 C ATOM 949 C LYS A 59 -5.231 1.830 -7.529 1.00 50.32 C ATOM 950 O LYS A 59 -5.306 0.680 -7.966 1.00 51.30 O ATOM 951 CB LYS A 59 -6.998 3.402 -8.405 1.00 34.14 C ATOM 952 CG LYS A 59 -7.235 2.520 -9.629 1.00 21.21 C ATOM 953 CD LYS A 59 -8.067 3.227 -10.691 1.00 51.00 C ATOM 954 CE LYS A 59 -9.448 3.592 -10.158 1.00 51.42 C ATOM 955 NZ LYS A 59 -10.176 2.399 -9.639 1.00 51.24 N ATOM 0 H LYS A 59 -6.141 4.512 -6.324 1.00 31.02 H new ATOM 0 HA LYS A 59 -7.260 1.907 -6.879 1.00 53.33 H new ATOM 0 HB2 LYS A 59 -7.927 3.911 -8.148 1.00 34.14 H new ATOM 0 HB3 LYS A 59 -6.271 4.174 -8.658 1.00 34.14 H new ATOM 0 HG2 LYS A 59 -6.276 2.227 -10.056 1.00 21.21 H new ATOM 0 HG3 LYS A 59 -7.741 1.604 -9.323 1.00 21.21 H new ATOM 0 HD2 LYS A 59 -7.551 4.129 -11.020 1.00 51.00 H new ATOM 0 HD3 LYS A 59 -8.170 2.583 -11.564 1.00 51.00 H new ATOM 0 HE2 LYS A 59 -9.347 4.330 -9.362 1.00 51.42 H new ATOM 0 HE3 LYS A 59 -10.032 4.057 -10.952 1.00 51.42 H new ATOM 0 HZ1 LYS A 59 -11.165 2.654 -9.444 1.00 51.24 H new ATOM 0 HZ2 LYS A 59 -10.148 1.639 -10.349 1.00 51.24 H new ATOM 0 HZ3 LYS A 59 -9.724 2.071 -8.762 1.00 51.24 H new ATOM 969 N GLU A 60 -4.063 2.436 -7.340 1.00 10.11 N ATOM 970 CA GLU A 60 -2.802 1.733 -7.579 1.00 71.40 C ATOM 971 C GLU A 60 -2.646 0.558 -6.602 1.00 52.41 C ATOM 972 O GLU A 60 -2.079 -0.480 -6.947 1.00 21.52 O ATOM 973 CB GLU A 60 -1.610 2.691 -7.475 1.00 72.11 C ATOM 974 CG GLU A 60 -0.301 2.075 -7.960 1.00 0.11 C ATOM 975 CD GLU A 60 0.816 3.094 -8.107 1.00 44.25 C ATOM 976 OE1 GLU A 60 0.667 4.024 -8.931 1.00 23.25 O ATOM 977 OE2 GLU A 60 1.859 2.944 -7.443 1.00 15.55 O ATOM 0 H GLU A 60 -3.961 3.401 -7.026 1.00 10.11 H new ATOM 0 HA GLU A 60 -2.822 1.335 -8.593 1.00 71.40 H new ATOM 0 HB2 GLU A 60 -1.820 3.587 -8.058 1.00 72.11 H new ATOM 0 HB3 GLU A 60 -1.494 3.005 -6.438 1.00 72.11 H new ATOM 0 HG2 GLU A 60 0.011 1.300 -7.259 1.00 0.11 H new ATOM 0 HG3 GLU A 60 -0.469 1.587 -8.920 1.00 0.11 H new ATOM 984 N ALA A 61 -3.173 0.723 -5.388 1.00 63.34 N ATOM 985 CA ALA A 61 -3.256 -0.378 -4.423 1.00 35.40 C ATOM 986 C ALA A 61 -4.046 -1.563 -5.010 1.00 73.15 C ATOM 987 O ALA A 61 -3.695 -2.726 -4.794 1.00 43.52 O ATOM 988 CB ALA A 61 -3.901 0.105 -3.127 1.00 44.21 C ATOM 0 H ALA A 61 -3.549 1.608 -5.048 1.00 63.34 H new ATOM 0 HA ALA A 61 -2.245 -0.721 -4.204 1.00 35.40 H new ATOM 0 HB1 ALA A 61 -3.957 -0.721 -2.418 1.00 44.21 H new ATOM 0 HB2 ALA A 61 -3.302 0.909 -2.700 1.00 44.21 H new ATOM 0 HB3 ALA A 61 -4.906 0.473 -3.336 1.00 44.21 H new ATOM 994 N GLU A 62 -5.110 -1.254 -5.763 1.00 42.02 N ATOM 995 CA GLU A 62 -5.884 -2.284 -6.469 1.00 13.31 C ATOM 996 C GLU A 62 -4.989 -3.051 -7.455 1.00 41.21 C ATOM 997 O GLU A 62 -5.048 -4.277 -7.542 1.00 10.32 O ATOM 998 CB GLU A 62 -7.068 -1.659 -7.232 1.00 72.13 C ATOM 999 CG GLU A 62 -8.078 -0.923 -6.355 1.00 32.45 C ATOM 1000 CD GLU A 62 -9.245 -0.357 -7.159 1.00 61.31 C ATOM 1001 OE1 GLU A 62 -10.148 -1.135 -7.536 1.00 3.13 O ATOM 1002 OE2 GLU A 62 -9.272 0.865 -7.417 1.00 41.24 O ATOM 0 H GLU A 62 -5.453 -0.303 -5.899 1.00 42.02 H new ATOM 0 HA GLU A 62 -6.272 -2.976 -5.722 1.00 13.31 H new ATOM 0 HB2 GLU A 62 -6.677 -0.963 -7.974 1.00 72.13 H new ATOM 0 HB3 GLU A 62 -7.588 -2.447 -7.777 1.00 72.13 H new ATOM 0 HG2 GLU A 62 -8.461 -1.605 -5.596 1.00 32.45 H new ATOM 0 HG3 GLU A 62 -7.575 -0.111 -5.830 1.00 32.45 H new ATOM 1009 N ARG A 63 -4.153 -2.313 -8.193 1.00 53.24 N ATOM 1010 CA ARG A 63 -3.197 -2.916 -9.131 1.00 40.41 C ATOM 1011 C ARG A 63 -2.303 -3.948 -8.431 1.00 43.32 C ATOM 1012 O ARG A 63 -2.224 -5.099 -8.852 1.00 42.33 O ATOM 1013 CB ARG A 63 -2.323 -1.824 -9.773 1.00 43.42 C ATOM 1014 CG ARG A 63 -1.067 -2.359 -10.459 1.00 53.13 C ATOM 1015 CD ARG A 63 -0.232 -1.235 -11.060 1.00 55.12 C ATOM 1016 NE ARG A 63 -0.938 -0.554 -12.145 1.00 41.44 N ATOM 1017 CZ ARG A 63 -1.059 0.742 -12.252 1.00 71.14 C ATOM 1018 NH1 ARG A 63 -0.514 1.535 -11.384 1.00 5.41 N ATOM 1019 NH2 ARG A 63 -1.714 1.241 -13.247 1.00 32.32 N ATOM 0 H ARG A 63 -4.118 -1.294 -8.159 1.00 53.24 H new ATOM 0 HA ARG A 63 -3.768 -3.428 -9.906 1.00 40.41 H new ATOM 0 HB2 ARG A 63 -2.920 -1.278 -10.504 1.00 43.42 H new ATOM 0 HB3 ARG A 63 -2.029 -1.109 -9.004 1.00 43.42 H new ATOM 0 HG2 ARG A 63 -0.466 -2.913 -9.738 1.00 53.13 H new ATOM 0 HG3 ARG A 63 -1.351 -3.061 -11.243 1.00 53.13 H new ATOM 0 HD2 ARG A 63 0.021 -0.514 -10.282 1.00 55.12 H new ATOM 0 HD3 ARG A 63 0.707 -1.641 -11.436 1.00 55.12 H new ATOM 0 HE ARG A 63 -1.366 -1.132 -12.869 1.00 41.44 H new ATOM 0 HH11 ARG A 63 0.018 1.149 -10.604 1.00 5.41 H new ATOM 0 HH12 ARG A 63 -0.617 2.545 -11.481 1.00 5.41 H new ATOM 0 HH21 ARG A 63 -2.133 0.624 -13.943 1.00 32.32 H new ATOM 0 HH22 ARG A 63 -1.813 2.252 -13.337 1.00 32.32 H new ATOM 1033 N LEU A 64 -1.649 -3.528 -7.349 1.00 23.03 N ATOM 1034 CA LEU A 64 -0.728 -4.399 -6.607 1.00 75.32 C ATOM 1035 C LEU A 64 -1.420 -5.692 -6.140 1.00 73.52 C ATOM 1036 O LEU A 64 -0.833 -6.775 -6.178 1.00 1.41 O ATOM 1037 CB LEU A 64 -0.155 -3.644 -5.399 1.00 70.53 C ATOM 1038 CG LEU A 64 0.654 -2.379 -5.742 1.00 33.53 C ATOM 1039 CD1 LEU A 64 1.106 -1.659 -4.474 1.00 22.43 C ATOM 1040 CD2 LEU A 64 1.852 -2.731 -6.620 1.00 10.10 C ATOM 0 H LEU A 64 -1.738 -2.588 -6.963 1.00 23.03 H new ATOM 0 HA LEU A 64 0.082 -4.681 -7.280 1.00 75.32 H new ATOM 0 HB2 LEU A 64 -0.978 -3.363 -4.742 1.00 70.53 H new ATOM 0 HB3 LEU A 64 0.484 -4.324 -4.836 1.00 70.53 H new ATOM 0 HG LEU A 64 0.006 -1.702 -6.299 1.00 33.53 H new ATOM 0 HD11 LEU A 64 1.675 -0.769 -4.744 1.00 22.43 H new ATOM 0 HD12 LEU A 64 0.233 -1.368 -3.890 1.00 22.43 H new ATOM 0 HD13 LEU A 64 1.733 -2.325 -3.881 1.00 22.43 H new ATOM 0 HD21 LEU A 64 2.412 -1.825 -6.852 1.00 10.10 H new ATOM 0 HD22 LEU A 64 2.498 -3.431 -6.090 1.00 10.10 H new ATOM 0 HD23 LEU A 64 1.503 -3.189 -7.545 1.00 10.10 H new ATOM 1052 N ALA A 65 -2.672 -5.567 -5.709 1.00 43.11 N ATOM 1053 CA ALA A 65 -3.452 -6.718 -5.249 1.00 65.54 C ATOM 1054 C ALA A 65 -3.872 -7.628 -6.412 1.00 73.23 C ATOM 1055 O ALA A 65 -3.554 -8.818 -6.435 1.00 33.42 O ATOM 1056 CB ALA A 65 -4.683 -6.244 -4.489 1.00 42.43 C ATOM 0 H ALA A 65 -3.172 -4.679 -5.668 1.00 43.11 H new ATOM 0 HA ALA A 65 -2.815 -7.303 -4.586 1.00 65.54 H new ATOM 0 HB1 ALA A 65 -5.257 -7.107 -4.151 1.00 42.43 H new ATOM 0 HB2 ALA A 65 -4.373 -5.654 -3.627 1.00 42.43 H new ATOM 0 HB3 ALA A 65 -5.302 -5.631 -5.145 1.00 42.43 H new ATOM 1062 N LYS A 66 -4.576 -7.056 -7.383 1.00 10.34 N ATOM 1063 CA LYS A 66 -5.139 -7.822 -8.502 1.00 43.33 C ATOM 1064 C LYS A 66 -4.051 -8.407 -9.418 1.00 74.23 C ATOM 1065 O LYS A 66 -4.279 -9.412 -10.094 1.00 70.13 O ATOM 1066 CB LYS A 66 -6.099 -6.939 -9.314 1.00 14.21 C ATOM 1067 CG LYS A 66 -7.231 -6.326 -8.482 1.00 14.11 C ATOM 1068 CD LYS A 66 -8.140 -7.392 -7.865 1.00 62.32 C ATOM 1069 CE LYS A 66 -8.950 -8.136 -8.920 1.00 2.14 C ATOM 1070 NZ LYS A 66 -9.887 -7.231 -9.641 1.00 32.41 N ATOM 0 H LYS A 66 -4.774 -6.056 -7.422 1.00 10.34 H new ATOM 0 HA LYS A 66 -5.687 -8.663 -8.077 1.00 43.33 H new ATOM 0 HB2 LYS A 66 -5.530 -6.136 -9.783 1.00 14.21 H new ATOM 0 HB3 LYS A 66 -6.533 -7.534 -10.118 1.00 14.21 H new ATOM 0 HG2 LYS A 66 -6.805 -5.712 -7.689 1.00 14.11 H new ATOM 0 HG3 LYS A 66 -7.826 -5.665 -9.112 1.00 14.11 H new ATOM 0 HD2 LYS A 66 -7.534 -8.104 -7.305 1.00 62.32 H new ATOM 0 HD3 LYS A 66 -8.818 -6.921 -7.153 1.00 62.32 H new ATOM 0 HE2 LYS A 66 -8.273 -8.602 -9.636 1.00 2.14 H new ATOM 0 HE3 LYS A 66 -9.514 -8.939 -8.445 1.00 2.14 H new ATOM 0 HZ1 LYS A 66 -10.588 -7.798 -10.159 1.00 32.41 H new ATOM 0 HZ2 LYS A 66 -10.375 -6.619 -8.956 1.00 32.41 H new ATOM 0 HZ3 LYS A 66 -9.354 -6.643 -10.313 1.00 32.41 H new ATOM 1084 N GLU A 67 -2.873 -7.784 -9.433 1.00 72.45 N ATOM 1085 CA GLU A 67 -1.751 -8.263 -10.258 1.00 51.24 C ATOM 1086 C GLU A 67 -1.338 -9.685 -9.837 1.00 31.33 C ATOM 1087 O GLU A 67 -1.178 -10.575 -10.673 1.00 40.40 O ATOM 1088 CB GLU A 67 -0.547 -7.302 -10.136 1.00 42.51 C ATOM 1089 CG GLU A 67 0.168 -6.999 -11.456 1.00 31.04 C ATOM 1090 CD GLU A 67 0.716 -8.239 -12.150 1.00 50.30 C ATOM 1091 OE1 GLU A 67 1.851 -8.656 -11.829 1.00 1.44 O ATOM 1092 OE2 GLU A 67 0.020 -8.793 -13.028 1.00 24.22 O ATOM 0 H GLU A 67 -2.666 -6.948 -8.887 1.00 72.45 H new ATOM 0 HA GLU A 67 -2.076 -8.290 -11.298 1.00 51.24 H new ATOM 0 HB2 GLU A 67 -0.892 -6.363 -9.702 1.00 42.51 H new ATOM 0 HB3 GLU A 67 0.173 -7.731 -9.439 1.00 42.51 H new ATOM 0 HG2 GLU A 67 -0.526 -6.493 -12.128 1.00 31.04 H new ATOM 0 HG3 GLU A 67 0.988 -6.307 -11.265 1.00 31.04 H new ATOM 1099 N PHE A 68 -1.177 -9.887 -8.530 1.00 53.41 N ATOM 1100 CA PHE A 68 -0.822 -11.201 -7.977 1.00 11.44 C ATOM 1101 C PHE A 68 -2.038 -11.882 -7.322 1.00 43.41 C ATOM 1102 O PHE A 68 -1.907 -12.918 -6.667 1.00 42.14 O ATOM 1103 CB PHE A 68 0.315 -11.048 -6.955 1.00 3.14 C ATOM 1104 CG PHE A 68 1.593 -10.505 -7.550 1.00 23.54 C ATOM 1105 CD1 PHE A 68 1.817 -9.135 -7.624 1.00 21.20 C ATOM 1106 CD2 PHE A 68 2.568 -11.365 -8.038 1.00 45.25 C ATOM 1107 CE1 PHE A 68 2.985 -8.639 -8.172 1.00 43.01 C ATOM 1108 CE2 PHE A 68 3.736 -10.873 -8.587 1.00 52.45 C ATOM 1109 CZ PHE A 68 3.944 -9.508 -8.655 1.00 62.21 C ATOM 0 H PHE A 68 -1.287 -9.155 -7.828 1.00 53.41 H new ATOM 0 HA PHE A 68 -0.487 -11.835 -8.798 1.00 11.44 H new ATOM 0 HB2 PHE A 68 -0.014 -10.385 -6.155 1.00 3.14 H new ATOM 0 HB3 PHE A 68 0.518 -12.018 -6.502 1.00 3.14 H new ATOM 0 HD1 PHE A 68 1.070 -8.451 -7.249 1.00 21.20 H new ATOM 0 HD2 PHE A 68 2.411 -12.432 -7.988 1.00 45.25 H new ATOM 0 HE1 PHE A 68 3.148 -7.573 -8.223 1.00 43.01 H new ATOM 0 HE2 PHE A 68 4.486 -11.554 -8.963 1.00 52.45 H new ATOM 0 HZ PHE A 68 4.856 -9.121 -9.086 1.00 62.21 H new ATOM 1119 N ASN A 69 -3.221 -11.285 -7.512 1.00 21.32 N ATOM 1120 CA ASN A 69 -4.483 -11.814 -6.964 1.00 31.42 C ATOM 1121 C ASN A 69 -4.473 -11.886 -5.427 1.00 20.30 C ATOM 1122 O ASN A 69 -5.226 -12.654 -4.827 1.00 24.12 O ATOM 1123 CB ASN A 69 -4.792 -13.195 -7.561 1.00 74.02 C ATOM 1124 CG ASN A 69 -5.139 -13.120 -9.038 1.00 64.43 C ATOM 1125 OD1 ASN A 69 -6.297 -12.938 -9.404 1.00 22.15 O ATOM 1126 ND2 ASN A 69 -4.149 -13.255 -9.895 1.00 34.20 N ATOM 0 H ASN A 69 -3.334 -10.424 -8.048 1.00 21.32 H new ATOM 0 HA ASN A 69 -5.270 -11.115 -7.248 1.00 31.42 H new ATOM 0 HB2 ASN A 69 -3.930 -13.848 -7.425 1.00 74.02 H new ATOM 0 HB3 ASN A 69 -5.622 -13.646 -7.017 1.00 74.02 H new ATOM 0 HD21 ASN A 69 -4.332 -13.210 -10.897 1.00 34.20 H new ATOM 0 HD22 ASN A 69 -3.199 -13.405 -9.557 1.00 34.20 H new ATOM 1133 N ILE A 70 -3.653 -11.052 -4.796 1.00 45.13 N ATOM 1134 CA ILE A 70 -3.521 -11.056 -3.336 1.00 13.51 C ATOM 1135 C ILE A 70 -4.563 -10.135 -2.667 1.00 33.04 C ATOM 1136 O ILE A 70 -5.207 -9.319 -3.329 1.00 54.14 O ATOM 1137 CB ILE A 70 -2.096 -10.632 -2.897 1.00 31.13 C ATOM 1138 CG1 ILE A 70 -1.803 -9.176 -3.307 1.00 13.10 C ATOM 1139 CG2 ILE A 70 -1.056 -11.576 -3.499 1.00 75.51 C ATOM 1140 CD1 ILE A 70 -0.433 -8.678 -2.886 1.00 3.41 C ATOM 0 H ILE A 70 -3.068 -10.363 -5.269 1.00 45.13 H new ATOM 0 HA ILE A 70 -3.702 -12.080 -3.009 1.00 13.51 H new ATOM 0 HB ILE A 70 -2.040 -10.694 -1.810 1.00 31.13 H new ATOM 0 HG12 ILE A 70 -1.892 -9.090 -4.390 1.00 13.10 H new ATOM 0 HG13 ILE A 70 -2.563 -8.527 -2.872 1.00 13.10 H new ATOM 0 HG21 ILE A 70 -0.059 -11.268 -3.184 1.00 75.51 H new ATOM 0 HG22 ILE A 70 -1.247 -12.593 -3.157 1.00 75.51 H new ATOM 0 HG23 ILE A 70 -1.119 -11.541 -4.587 1.00 75.51 H new ATOM 0 HD11 ILE A 70 -0.305 -7.646 -3.212 1.00 3.41 H new ATOM 0 HD12 ILE A 70 -0.345 -8.729 -1.801 1.00 3.41 H new ATOM 0 HD13 ILE A 70 0.337 -9.301 -3.342 1.00 3.41 H new ATOM 1152 N THR A 71 -4.720 -10.273 -1.351 1.00 20.35 N ATOM 1153 CA THR A 71 -5.706 -9.487 -0.589 1.00 12.11 C ATOM 1154 C THR A 71 -5.118 -8.149 -0.129 1.00 72.30 C ATOM 1155 O THR A 71 -3.948 -8.074 0.246 1.00 22.24 O ATOM 1156 CB THR A 71 -6.196 -10.262 0.661 1.00 45.00 C ATOM 1157 OG1 THR A 71 -6.685 -11.557 0.281 1.00 11.03 O ATOM 1158 CG2 THR A 71 -7.298 -9.503 1.398 1.00 3.13 C ATOM 0 H THR A 71 -4.177 -10.923 -0.783 1.00 20.35 H new ATOM 0 HA THR A 71 -6.545 -9.305 -1.260 1.00 12.11 H new ATOM 0 HB THR A 71 -5.345 -10.370 1.333 1.00 45.00 H new ATOM 0 HG1 THR A 71 -7.134 -11.974 1.045 1.00 11.03 H new ATOM 0 HG21 THR A 71 -7.616 -10.077 2.268 1.00 3.13 H new ATOM 0 HG22 THR A 71 -6.918 -8.534 1.722 1.00 3.13 H new ATOM 0 HG23 THR A 71 -8.147 -9.356 0.731 1.00 3.13 H new ATOM 1166 N VAL A 72 -5.934 -7.096 -0.149 1.00 24.23 N ATOM 1167 CA VAL A 72 -5.500 -5.774 0.316 1.00 4.11 C ATOM 1168 C VAL A 72 -6.632 -5.020 1.034 1.00 4.23 C ATOM 1169 O VAL A 72 -7.778 -5.004 0.577 1.00 50.24 O ATOM 1170 CB VAL A 72 -4.969 -4.899 -0.856 1.00 33.22 C ATOM 1171 CG1 VAL A 72 -6.075 -4.594 -1.865 1.00 43.35 C ATOM 1172 CG2 VAL A 72 -4.339 -3.605 -0.331 1.00 62.52 C ATOM 0 H VAL A 72 -6.898 -7.130 -0.481 1.00 24.23 H new ATOM 0 HA VAL A 72 -4.690 -5.952 1.024 1.00 4.11 H new ATOM 0 HB VAL A 72 -4.196 -5.469 -1.371 1.00 33.22 H new ATOM 0 HG11 VAL A 72 -5.673 -3.981 -2.672 1.00 43.35 H new ATOM 0 HG12 VAL A 72 -6.460 -5.527 -2.276 1.00 43.35 H new ATOM 0 HG13 VAL A 72 -6.882 -4.056 -1.368 1.00 43.35 H new ATOM 0 HG21 VAL A 72 -3.976 -3.011 -1.170 1.00 62.52 H new ATOM 0 HG22 VAL A 72 -5.086 -3.035 0.221 1.00 62.52 H new ATOM 0 HG23 VAL A 72 -3.507 -3.848 0.330 1.00 62.52 H new ATOM 1182 N THR A 73 -6.308 -4.417 2.172 1.00 10.25 N ATOM 1183 CA THR A 73 -7.234 -3.513 2.871 1.00 61.13 C ATOM 1184 C THR A 73 -6.613 -2.118 2.975 1.00 74.54 C ATOM 1185 O THR A 73 -5.508 -1.958 3.496 1.00 13.25 O ATOM 1186 CB THR A 73 -7.594 -4.016 4.296 1.00 25.22 C ATOM 1187 OG1 THR A 73 -6.429 -4.023 5.139 1.00 61.11 O ATOM 1188 CG2 THR A 73 -8.198 -5.417 4.251 1.00 33.52 C ATOM 0 H THR A 73 -5.408 -4.534 2.638 1.00 10.25 H new ATOM 0 HA THR A 73 -8.154 -3.482 2.287 1.00 61.13 H new ATOM 0 HB THR A 73 -8.334 -3.330 4.709 1.00 25.22 H new ATOM 0 HG1 THR A 73 -6.674 -4.341 6.033 1.00 61.11 H new ATOM 0 HG21 THR A 73 -8.440 -5.742 5.263 1.00 33.52 H new ATOM 0 HG22 THR A 73 -9.106 -5.403 3.648 1.00 33.52 H new ATOM 0 HG23 THR A 73 -7.480 -6.109 3.810 1.00 33.52 H new ATOM 1196 N TYR A 74 -7.309 -1.109 2.458 1.00 35.23 N ATOM 1197 CA TYR A 74 -6.784 0.261 2.452 1.00 25.35 C ATOM 1198 C TYR A 74 -7.790 1.261 3.043 1.00 53.34 C ATOM 1199 O TYR A 74 -8.981 1.227 2.733 1.00 62.42 O ATOM 1200 CB TYR A 74 -6.376 0.678 1.029 1.00 41.04 C ATOM 1201 CG TYR A 74 -7.476 0.554 -0.014 1.00 65.51 C ATOM 1202 CD1 TYR A 74 -7.752 -0.669 -0.621 1.00 31.12 C ATOM 1203 CD2 TYR A 74 -8.235 1.658 -0.396 1.00 64.01 C ATOM 1204 CE1 TYR A 74 -8.745 -0.786 -1.575 1.00 34.52 C ATOM 1205 CE2 TYR A 74 -9.230 1.546 -1.349 1.00 53.01 C ATOM 1206 CZ TYR A 74 -9.482 0.324 -1.933 1.00 62.33 C ATOM 1207 OH TYR A 74 -10.474 0.211 -2.884 1.00 24.22 O ATOM 0 H TYR A 74 -8.234 -1.209 2.039 1.00 35.23 H new ATOM 0 HA TYR A 74 -5.899 0.275 3.088 1.00 25.35 H new ATOM 0 HB2 TYR A 74 -6.033 1.712 1.053 1.00 41.04 H new ATOM 0 HB3 TYR A 74 -5.528 0.068 0.716 1.00 41.04 H new ATOM 0 HD1 TYR A 74 -7.180 -1.541 -0.341 1.00 31.12 H new ATOM 0 HD2 TYR A 74 -8.043 2.618 0.060 1.00 64.01 H new ATOM 0 HE1 TYR A 74 -8.943 -1.741 -2.038 1.00 34.52 H new ATOM 0 HE2 TYR A 74 -9.807 2.413 -1.635 1.00 53.01 H new ATOM 0 HH TYR A 74 -10.898 1.084 -3.020 1.00 24.22 H new ATOM 1217 N THR A 75 -7.291 2.151 3.897 1.00 33.12 N ATOM 1218 CA THR A 75 -8.128 3.154 4.569 1.00 61.24 C ATOM 1219 C THR A 75 -7.481 4.540 4.494 1.00 43.25 C ATOM 1220 O THR A 75 -6.258 4.662 4.467 1.00 43.14 O ATOM 1221 CB THR A 75 -8.364 2.781 6.057 1.00 54.32 C ATOM 1222 OG1 THR A 75 -8.998 1.496 6.147 1.00 10.43 O ATOM 1223 CG2 THR A 75 -9.229 3.817 6.773 1.00 33.12 C ATOM 0 H THR A 75 -6.303 2.202 4.145 1.00 33.12 H new ATOM 0 HA THR A 75 -9.088 3.175 4.052 1.00 61.24 H new ATOM 0 HB THR A 75 -7.389 2.754 6.544 1.00 54.32 H new ATOM 0 HG1 THR A 75 -9.142 1.267 7.089 1.00 10.43 H new ATOM 0 HG21 THR A 75 -9.370 3.518 7.812 1.00 33.12 H new ATOM 0 HG22 THR A 75 -8.736 4.789 6.739 1.00 33.12 H new ATOM 0 HG23 THR A 75 -10.199 3.884 6.280 1.00 33.12 H new ATOM 1231 N ILE A 76 -8.299 5.587 4.446 1.00 60.44 N ATOM 1232 CA ILE A 76 -7.784 6.957 4.376 1.00 31.31 C ATOM 1233 C ILE A 76 -7.861 7.650 5.745 1.00 14.14 C ATOM 1234 O ILE A 76 -8.948 7.887 6.274 1.00 70.31 O ATOM 1235 CB ILE A 76 -8.557 7.800 3.327 1.00 41.54 C ATOM 1236 CG1 ILE A 76 -8.676 7.028 1.997 1.00 72.13 C ATOM 1237 CG2 ILE A 76 -7.870 9.152 3.110 1.00 74.12 C ATOM 1238 CD1 ILE A 76 -7.347 6.623 1.384 1.00 3.15 C ATOM 0 H ILE A 76 -9.317 5.518 4.454 1.00 60.44 H new ATOM 0 HA ILE A 76 -6.740 6.888 4.071 1.00 31.31 H new ATOM 0 HB ILE A 76 -9.562 7.986 3.706 1.00 41.54 H new ATOM 0 HG12 ILE A 76 -9.273 6.132 2.164 1.00 72.13 H new ATOM 0 HG13 ILE A 76 -9.219 7.644 1.281 1.00 72.13 H new ATOM 0 HG21 ILE A 76 -8.427 9.729 2.371 1.00 74.12 H new ATOM 0 HG22 ILE A 76 -7.841 9.701 4.051 1.00 74.12 H new ATOM 0 HG23 ILE A 76 -6.853 8.990 2.753 1.00 74.12 H new ATOM 0 HD11 ILE A 76 -7.525 6.086 0.452 1.00 3.15 H new ATOM 0 HD12 ILE A 76 -6.753 7.514 1.181 1.00 3.15 H new ATOM 0 HD13 ILE A 76 -6.808 5.978 2.078 1.00 3.15 H new ATOM 1250 N ARG A 77 -6.702 7.962 6.320 1.00 73.20 N ATOM 1251 CA ARG A 77 -6.640 8.626 7.627 1.00 33.33 C ATOM 1252 C ARG A 77 -6.772 10.152 7.509 1.00 13.41 C ATOM 1253 O ARG A 77 -5.851 10.837 7.051 1.00 31.14 O ATOM 1254 CB ARG A 77 -5.327 8.281 8.347 1.00 2.21 C ATOM 1255 CG ARG A 77 -5.309 6.893 8.978 1.00 44.45 C ATOM 1256 CD ARG A 77 -3.922 6.520 9.507 1.00 2.13 C ATOM 1257 NE ARG A 77 -3.347 7.564 10.362 1.00 74.11 N ATOM 1258 CZ ARG A 77 -2.762 7.347 11.512 1.00 21.43 C ATOM 1259 NH1 ARG A 77 -2.692 6.156 12.010 1.00 20.43 N ATOM 1260 NH2 ARG A 77 -2.237 8.335 12.159 1.00 10.32 N ATOM 0 H ARG A 77 -5.791 7.767 5.904 1.00 73.20 H new ATOM 0 HA ARG A 77 -7.486 8.258 8.208 1.00 33.33 H new ATOM 0 HB2 ARG A 77 -4.505 8.356 7.636 1.00 2.21 H new ATOM 0 HB3 ARG A 77 -5.145 9.024 9.124 1.00 2.21 H new ATOM 0 HG2 ARG A 77 -6.030 6.857 9.795 1.00 44.45 H new ATOM 0 HG3 ARG A 77 -5.626 6.156 8.240 1.00 44.45 H new ATOM 0 HD2 ARG A 77 -3.990 5.590 10.071 1.00 2.13 H new ATOM 0 HD3 ARG A 77 -3.254 6.335 8.666 1.00 2.13 H new ATOM 0 HE ARG A 77 -3.408 8.529 10.037 1.00 74.11 H new ATOM 0 HH11 ARG A 77 -3.097 5.367 11.505 1.00 20.43 H new ATOM 0 HH12 ARG A 77 -2.232 6.005 12.908 1.00 20.43 H new ATOM 0 HH21 ARG A 77 -2.280 9.278 11.773 1.00 10.32 H new ATOM 0 HH22 ARG A 77 -1.780 8.172 13.056 1.00 10.32 H new