USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 788 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 TYR N :NH3+ 152:sc= 0.00477 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -3.47! C(o=-3.5!,f=-6!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 39:sc= -0.112 USER MOD Single : A 26 SER OG : rot -34:sc= 0.388 USER MOD Single : A 31 HIS :FLIP no HD1:sc= -7.78! C(o=-8.7!,f=-7.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.197 F(o=-5!,f=-0.2) USER MOD Single : A 38 MET CE :methyl 138:sc= -1.14 (180deg=-4.94!) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 20:sc= 0.248 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.17) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.863 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= -1.81! USER MOD Single : A 88 GLN : amide:sc= -9.98! C(o=-10!,f=-18!) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 0.557 -1.009 -0.272 1.00 21.00 N ATOM 2 CA TYR A 1 1.559 -0.762 -1.302 1.00 2.32 C ATOM 3 C TYR A 1 2.681 -1.793 -1.230 1.00 33.55 C ATOM 4 O TYR A 1 3.136 -2.156 -0.145 1.00 75.23 O ATOM 5 CB TYR A 1 2.137 0.647 -1.153 1.00 73.13 C ATOM 6 CG TYR A 1 2.825 1.154 -2.400 1.00 61.34 C ATOM 7 CD1 TYR A 1 4.111 0.739 -2.724 1.00 43.44 C ATOM 8 CD2 TYR A 1 2.190 2.047 -3.254 1.00 43.21 C ATOM 9 CE1 TYR A 1 4.745 1.200 -3.862 1.00 52.24 C ATOM 10 CE2 TYR A 1 2.815 2.512 -4.395 1.00 4.01 C ATOM 11 CZ TYR A 1 4.092 2.086 -4.695 1.00 25.14 C ATOM 12 OH TYR A 1 4.719 2.548 -5.829 1.00 61.23 O ATOM 0 H1 TYR A 1 0.096 -0.113 -0.014 1.00 21.00 H new ATOM 0 H2 TYR A 1 -0.156 -1.674 -0.634 1.00 21.00 H new ATOM 0 H3 TYR A 1 1.016 -1.416 0.568 1.00 21.00 H new ATOM 0 HA TYR A 1 1.073 -0.848 -2.274 1.00 2.32 H new ATOM 0 HB2 TYR A 1 1.334 1.334 -0.887 1.00 73.13 H new ATOM 0 HB3 TYR A 1 2.849 0.653 -0.327 1.00 73.13 H new ATOM 0 HD1 TYR A 1 4.624 0.044 -2.075 1.00 43.44 H new ATOM 0 HD2 TYR A 1 1.190 2.384 -3.022 1.00 43.21 H new ATOM 0 HE1 TYR A 1 5.746 0.869 -4.098 1.00 52.24 H new ATOM 0 HE2 TYR A 1 2.306 3.205 -5.048 1.00 4.01 H new ATOM 0 HH TYR A 1 4.123 3.163 -6.305 1.00 61.23 H new ATOM 22 N GLU A 2 3.122 -2.261 -2.393 1.00 74.22 N ATOM 23 CA GLU A 2 4.190 -3.251 -2.462 1.00 72.34 C ATOM 24 C GLU A 2 5.001 -3.088 -3.745 1.00 11.03 C ATOM 25 O GLU A 2 4.710 -3.720 -4.760 1.00 44.31 O ATOM 26 CB GLU A 2 3.610 -4.665 -2.389 1.00 62.53 C ATOM 27 CG GLU A 2 2.785 -4.921 -1.139 1.00 63.31 C ATOM 28 CD GLU A 2 2.143 -6.295 -1.135 1.00 24.13 C ATOM 29 OE1 GLU A 2 2.867 -7.289 -1.352 1.00 72.31 O ATOM 30 OE2 GLU A 2 0.917 -6.375 -0.913 1.00 72.33 O ATOM 0 H GLU A 2 2.756 -1.971 -3.300 1.00 74.22 H new ATOM 0 HA GLU A 2 4.853 -3.093 -1.611 1.00 72.34 H new ATOM 0 HB2 GLU A 2 2.988 -4.839 -3.267 1.00 62.53 H new ATOM 0 HB3 GLU A 2 4.426 -5.386 -2.429 1.00 62.53 H new ATOM 0 HG2 GLU A 2 3.422 -4.819 -0.261 1.00 63.31 H new ATOM 0 HG3 GLU A 2 2.008 -4.161 -1.059 1.00 63.31 H new ATOM 37 N ALA A 3 6.019 -2.235 -3.689 1.00 73.25 N ATOM 38 CA ALA A 3 6.873 -1.989 -4.845 1.00 33.23 C ATOM 39 C ALA A 3 6.070 -1.422 -6.010 1.00 54.23 C ATOM 40 O ALA A 3 4.917 -1.790 -6.239 1.00 42.10 O ATOM 41 CB ALA A 3 7.578 -3.271 -5.262 1.00 24.01 C ATOM 0 H ALA A 3 6.272 -1.703 -2.856 1.00 73.25 H new ATOM 0 HA ALA A 3 7.623 -1.250 -4.561 1.00 33.23 H new ATOM 0 HB1 ALA A 3 8.212 -3.073 -6.126 1.00 24.01 H new ATOM 0 HB2 ALA A 3 8.191 -3.634 -4.437 1.00 24.01 H new ATOM 0 HB3 ALA A 3 6.836 -4.026 -5.522 1.00 24.01 H new ATOM 47 N PRO A 4 6.690 -0.503 -6.766 1.00 31.32 N ATOM 48 CA PRO A 4 6.051 0.135 -7.921 1.00 34.55 C ATOM 49 C PRO A 4 5.856 -0.833 -9.083 1.00 41.21 C ATOM 50 O PRO A 4 6.496 -1.881 -9.163 1.00 63.44 O ATOM 51 CB PRO A 4 7.036 1.241 -8.305 1.00 12.21 C ATOM 52 CG PRO A 4 8.355 0.766 -7.801 1.00 71.34 C ATOM 53 CD PRO A 4 8.063 -0.017 -6.551 1.00 62.22 C ATOM 0 HA PRO A 4 5.051 0.500 -7.684 1.00 34.55 H new ATOM 0 HB2 PRO A 4 7.057 1.395 -9.384 1.00 12.21 H new ATOM 0 HB3 PRO A 4 6.759 2.193 -7.852 1.00 12.21 H new ATOM 0 HG2 PRO A 4 8.855 0.144 -8.543 1.00 71.34 H new ATOM 0 HG3 PRO A 4 9.017 1.605 -7.590 1.00 71.34 H new ATOM 0 HD2 PRO A 4 8.765 -0.841 -6.420 1.00 62.22 H new ATOM 0 HD3 PRO A 4 8.134 0.607 -5.660 1.00 62.22 H new ATOM 61 N PRO A 5 4.952 -0.475 -10.007 1.00 11.21 N ATOM 62 CA PRO A 5 4.653 -1.298 -11.183 1.00 1.33 C ATOM 63 C PRO A 5 5.806 -1.324 -12.180 1.00 24.11 C ATOM 64 O PRO A 5 6.389 -0.288 -12.497 1.00 1.42 O ATOM 65 CB PRO A 5 3.431 -0.609 -11.796 1.00 63.32 C ATOM 66 CG PRO A 5 3.526 0.806 -11.341 1.00 51.24 C ATOM 67 CD PRO A 5 4.152 0.761 -9.975 1.00 0.10 C ATOM 0 HA PRO A 5 4.483 -2.342 -10.918 1.00 1.33 H new ATOM 0 HB2 PRO A 5 3.443 -0.677 -12.884 1.00 63.32 H new ATOM 0 HB3 PRO A 5 2.504 -1.072 -11.458 1.00 63.32 H new ATOM 0 HG2 PRO A 5 4.131 1.397 -12.028 1.00 51.24 H new ATOM 0 HG3 PRO A 5 2.541 1.271 -11.304 1.00 51.24 H new ATOM 0 HD2 PRO A 5 4.773 1.637 -9.789 1.00 0.10 H new ATOM 0 HD3 PRO A 5 3.398 0.732 -9.188 1.00 0.10 H new ATOM 75 N ALA A 6 6.130 -2.516 -12.672 1.00 3.44 N ATOM 76 CA ALA A 6 7.212 -2.676 -13.635 1.00 23.01 C ATOM 77 C ALA A 6 6.700 -2.535 -15.064 1.00 42.13 C ATOM 78 O ALA A 6 5.627 -3.035 -15.403 1.00 50.02 O ATOM 79 CB ALA A 6 7.891 -4.025 -13.446 1.00 43.53 C ATOM 0 H ALA A 6 5.658 -3.384 -12.419 1.00 3.44 H new ATOM 0 HA ALA A 6 7.942 -1.886 -13.459 1.00 23.01 H new ATOM 0 HB1 ALA A 6 8.697 -4.131 -14.172 1.00 43.53 H new ATOM 0 HB2 ALA A 6 8.300 -4.088 -12.438 1.00 43.53 H new ATOM 0 HB3 ALA A 6 7.163 -4.823 -13.593 1.00 43.53 H new ATOM 85 N THR A 7 7.474 -1.850 -15.900 1.00 40.44 N ATOM 86 CA THR A 7 7.098 -1.641 -17.293 1.00 12.11 C ATOM 87 C THR A 7 7.617 -2.769 -18.178 1.00 14.34 C ATOM 88 O THR A 7 8.615 -2.610 -18.882 1.00 34.01 O ATOM 89 CB THR A 7 7.634 -0.298 -17.825 1.00 22.44 C ATOM 90 OG1 THR A 7 7.297 0.758 -16.918 1.00 73.52 O ATOM 91 CG2 THR A 7 7.062 0.006 -19.201 1.00 63.20 C ATOM 0 H THR A 7 8.366 -1.430 -15.636 1.00 40.44 H new ATOM 0 HA THR A 7 6.009 -1.628 -17.327 1.00 12.11 H new ATOM 0 HB THR A 7 8.718 -0.372 -17.908 1.00 22.44 H new ATOM 0 HG1 THR A 7 7.643 1.608 -17.262 1.00 73.52 H new ATOM 0 HG21 THR A 7 7.455 0.959 -19.556 1.00 63.20 H new ATOM 0 HG22 THR A 7 7.345 -0.785 -19.896 1.00 63.20 H new ATOM 0 HG23 THR A 7 5.975 0.062 -19.139 1.00 63.20 H new ATOM 99 N LEU A 8 6.934 -3.907 -18.138 1.00 34.32 N ATOM 100 CA LEU A 8 7.325 -5.063 -18.937 1.00 44.13 C ATOM 101 C LEU A 8 6.856 -4.911 -20.381 1.00 10.24 C ATOM 102 O LEU A 8 5.659 -4.952 -20.661 1.00 14.51 O ATOM 103 CB LEU A 8 6.749 -6.345 -18.334 1.00 14.32 C ATOM 104 CG LEU A 8 6.947 -6.526 -16.829 1.00 23.44 C ATOM 105 CD1 LEU A 8 5.660 -6.218 -16.079 1.00 44.22 C ATOM 106 CD2 LEU A 8 7.421 -7.939 -16.520 1.00 32.21 C ATOM 0 H LEU A 8 6.106 -4.054 -17.561 1.00 34.32 H new ATOM 0 HA LEU A 8 8.413 -5.125 -18.932 1.00 44.13 H new ATOM 0 HB2 LEU A 8 5.680 -6.374 -18.546 1.00 14.32 H new ATOM 0 HB3 LEU A 8 7.198 -7.197 -18.844 1.00 14.32 H new ATOM 0 HG LEU A 8 7.713 -5.825 -16.496 1.00 23.44 H new ATOM 0 HD11 LEU A 8 5.821 -6.353 -15.009 1.00 44.22 H new ATOM 0 HD12 LEU A 8 5.363 -5.188 -16.274 1.00 44.22 H new ATOM 0 HD13 LEU A 8 4.873 -6.893 -16.415 1.00 44.22 H new ATOM 0 HD21 LEU A 8 7.557 -8.050 -15.444 1.00 32.21 H new ATOM 0 HD22 LEU A 8 6.678 -8.656 -16.868 1.00 32.21 H new ATOM 0 HD23 LEU A 8 8.368 -8.124 -17.026 1.00 32.21 H new ATOM 118 N GLU A 9 7.808 -4.738 -21.292 1.00 41.41 N ATOM 119 CA GLU A 9 7.491 -4.581 -22.707 1.00 31.12 C ATOM 120 C GLU A 9 7.368 -5.940 -23.390 1.00 55.12 C ATOM 121 O GLU A 9 7.079 -6.947 -22.745 1.00 32.21 O ATOM 122 CB GLU A 9 8.565 -3.743 -23.403 1.00 61.34 C ATOM 123 CG GLU A 9 9.024 -2.545 -22.590 1.00 44.44 C ATOM 124 CD GLU A 9 8.308 -1.266 -22.981 1.00 23.15 C ATOM 125 OE1 GLU A 9 7.087 -1.173 -22.740 1.00 54.42 O ATOM 126 OE2 GLU A 9 8.971 -0.359 -23.526 1.00 53.23 O ATOM 0 H GLU A 9 8.804 -4.703 -21.076 1.00 41.41 H new ATOM 0 HA GLU A 9 6.533 -4.067 -22.784 1.00 31.12 H new ATOM 0 HB2 GLU A 9 9.425 -4.377 -23.618 1.00 61.34 H new ATOM 0 HB3 GLU A 9 8.178 -3.395 -24.361 1.00 61.34 H new ATOM 0 HG2 GLU A 9 8.855 -2.743 -21.531 1.00 44.44 H new ATOM 0 HG3 GLU A 9 10.098 -2.411 -22.722 1.00 44.44 H new ATOM 133 N ALA A 10 7.588 -5.959 -24.701 1.00 0.33 N ATOM 134 CA ALA A 10 7.503 -7.193 -25.472 1.00 2.40 C ATOM 135 C ALA A 10 8.545 -7.217 -26.585 1.00 23.10 C ATOM 136 O ALA A 10 8.239 -6.924 -27.741 1.00 41.11 O ATOM 137 CB ALA A 10 6.106 -7.358 -26.051 1.00 31.21 C ATOM 0 H ALA A 10 7.826 -5.134 -25.251 1.00 0.33 H new ATOM 0 HA ALA A 10 7.707 -8.027 -24.801 1.00 2.40 H new ATOM 0 HB1 ALA A 10 6.057 -8.284 -26.624 1.00 31.21 H new ATOM 0 HB2 ALA A 10 5.378 -7.394 -25.240 1.00 31.21 H new ATOM 0 HB3 ALA A 10 5.881 -6.515 -26.704 1.00 31.21 H new ATOM 143 N ILE A 11 9.776 -7.567 -26.229 1.00 25.43 N ATOM 144 CA ILE A 11 10.863 -7.630 -27.198 1.00 61.02 C ATOM 145 C ILE A 11 10.669 -8.791 -28.167 1.00 61.51 C ATOM 146 O ILE A 11 9.771 -9.616 -27.993 1.00 50.12 O ATOM 147 CB ILE A 11 12.230 -7.779 -26.504 1.00 14.55 C ATOM 148 CG1 ILE A 11 12.347 -6.787 -25.345 1.00 4.45 C ATOM 149 CG2 ILE A 11 13.357 -7.570 -27.503 1.00 44.01 C ATOM 150 CD1 ILE A 11 12.751 -5.395 -25.779 1.00 22.12 C ATOM 0 H ILE A 11 10.046 -7.811 -25.276 1.00 25.43 H new ATOM 0 HA ILE A 11 10.846 -6.691 -27.751 1.00 61.02 H new ATOM 0 HB ILE A 11 12.310 -8.789 -26.103 1.00 14.55 H new ATOM 0 HG12 ILE A 11 11.390 -6.733 -24.825 1.00 4.45 H new ATOM 0 HG13 ILE A 11 13.078 -7.162 -24.629 1.00 4.45 H new ATOM 0 HG21 ILE A 11 14.316 -7.679 -26.997 1.00 44.01 H new ATOM 0 HG22 ILE A 11 13.280 -8.311 -28.298 1.00 44.01 H new ATOM 0 HG23 ILE A 11 13.283 -6.570 -27.931 1.00 44.01 H new ATOM 0 HD11 ILE A 11 12.814 -4.746 -24.906 1.00 22.12 H new ATOM 0 HD12 ILE A 11 13.722 -5.435 -26.272 1.00 22.12 H new ATOM 0 HD13 ILE A 11 12.008 -5.000 -26.472 1.00 22.12 H new ATOM 162 N HIS A 12 11.518 -8.852 -29.188 1.00 4.40 N ATOM 163 CA HIS A 12 11.442 -9.914 -30.184 1.00 62.23 C ATOM 164 C HIS A 12 11.466 -11.286 -29.518 1.00 22.51 C ATOM 165 O HIS A 12 11.678 -11.414 -28.312 1.00 30.12 O ATOM 166 CB HIS A 12 12.600 -9.796 -31.176 1.00 55.14 C ATOM 167 CG HIS A 12 12.171 -9.379 -32.550 1.00 31.33 C ATOM 168 ND1 HIS A 12 10.905 -9.610 -33.045 1.00 40.14 N ATOM 169 CD2 HIS A 12 12.848 -8.742 -33.533 1.00 40.31 C ATOM 170 CE1 HIS A 12 10.822 -9.134 -34.275 1.00 5.32 C ATOM 171 NE2 HIS A 12 11.988 -8.601 -34.595 1.00 22.24 N ATOM 0 H HIS A 12 12.267 -8.178 -29.347 1.00 4.40 H new ATOM 0 HA HIS A 12 10.500 -9.807 -30.722 1.00 62.23 H new ATOM 0 HB2 HIS A 12 13.322 -9.074 -30.795 1.00 55.14 H new ATOM 0 HB3 HIS A 12 13.112 -10.756 -31.240 1.00 55.14 H new ATOM 0 HD2 HIS A 12 13.874 -8.407 -33.491 1.00 40.31 H new ATOM 0 HE1 HIS A 12 9.950 -9.174 -34.910 1.00 5.32 H new ATOM 0 HE2 HIS A 12 12.213 -8.157 -35.485 1.00 22.24 H new ATOM 179 N PRO A 13 11.243 -12.338 -30.320 1.00 22.33 N ATOM 180 CA PRO A 13 11.234 -13.720 -29.829 1.00 51.32 C ATOM 181 C PRO A 13 12.623 -14.200 -29.422 1.00 51.24 C ATOM 182 O PRO A 13 12.878 -15.402 -29.347 1.00 5.22 O ATOM 183 CB PRO A 13 10.722 -14.519 -31.030 1.00 63.11 C ATOM 184 CG PRO A 13 11.081 -13.692 -32.216 1.00 54.02 C ATOM 185 CD PRO A 13 10.984 -12.260 -31.767 1.00 74.21 C ATOM 0 HA PRO A 13 10.622 -13.831 -28.934 1.00 51.32 H new ATOM 0 HB2 PRO A 13 11.188 -15.503 -31.078 1.00 63.11 H new ATOM 0 HB3 PRO A 13 9.645 -14.678 -30.970 1.00 63.11 H new ATOM 0 HG2 PRO A 13 12.088 -13.925 -32.564 1.00 54.02 H new ATOM 0 HG3 PRO A 13 10.404 -13.887 -33.047 1.00 54.02 H new ATOM 0 HD2 PRO A 13 11.716 -11.630 -32.273 1.00 74.21 H new ATOM 0 HD3 PRO A 13 10.001 -11.839 -31.977 1.00 74.21 H new ATOM 193 N LYS A 14 13.518 -13.253 -29.161 1.00 32.24 N ATOM 194 CA LYS A 14 14.881 -13.579 -28.759 1.00 43.44 C ATOM 195 C LYS A 14 15.265 -12.837 -27.483 1.00 14.31 C ATOM 196 O LYS A 14 16.441 -12.574 -27.235 1.00 73.23 O ATOM 197 CB LYS A 14 15.862 -13.227 -29.880 1.00 63.22 C ATOM 198 CG LYS A 14 15.997 -11.734 -30.125 1.00 21.24 C ATOM 199 CD LYS A 14 17.100 -11.430 -31.125 1.00 21.25 C ATOM 200 CE LYS A 14 18.393 -11.039 -30.426 1.00 43.30 C ATOM 201 NZ LYS A 14 19.007 -9.826 -31.035 1.00 23.24 N ATOM 0 H LYS A 14 13.324 -12.253 -29.221 1.00 32.24 H new ATOM 0 HA LYS A 14 14.929 -14.650 -28.564 1.00 43.44 H new ATOM 0 HB2 LYS A 14 16.842 -13.636 -29.635 1.00 63.22 H new ATOM 0 HB3 LYS A 14 15.536 -13.710 -30.801 1.00 63.22 H new ATOM 0 HG2 LYS A 14 15.051 -11.338 -30.494 1.00 21.24 H new ATOM 0 HG3 LYS A 14 16.209 -11.228 -29.183 1.00 21.24 H new ATOM 0 HD2 LYS A 14 17.274 -12.304 -31.753 1.00 21.25 H new ATOM 0 HD3 LYS A 14 16.783 -10.622 -31.784 1.00 21.25 H new ATOM 0 HE2 LYS A 14 18.194 -10.854 -29.370 1.00 43.30 H new ATOM 0 HE3 LYS A 14 19.099 -11.868 -30.477 1.00 43.30 H new ATOM 0 HZ1 LYS A 14 19.886 -9.592 -30.531 1.00 23.24 H new ATOM 0 HZ2 LYS A 14 19.220 -10.010 -32.036 1.00 23.24 H new ATOM 0 HZ3 LYS A 14 18.344 -9.028 -30.964 1.00 23.24 H new ATOM 215 N GLY A 15 14.263 -12.502 -26.674 1.00 62.44 N ATOM 216 CA GLY A 15 14.517 -11.795 -25.433 1.00 33.43 C ATOM 217 C GLY A 15 13.341 -10.941 -25.002 1.00 21.25 C ATOM 218 O GLY A 15 12.304 -10.917 -25.666 1.00 63.33 O ATOM 0 H GLY A 15 13.281 -12.708 -26.857 1.00 62.44 H new ATOM 0 HA2 GLY A 15 14.746 -12.516 -24.648 1.00 33.43 H new ATOM 0 HA3 GLY A 15 15.397 -11.163 -25.552 1.00 33.43 H new ATOM 222 N LEU A 16 13.500 -10.239 -23.885 1.00 41.12 N ATOM 223 CA LEU A 16 12.442 -9.380 -23.364 1.00 43.14 C ATOM 224 C LEU A 16 13.028 -8.206 -22.586 1.00 32.33 C ATOM 225 O LEU A 16 14.214 -8.197 -22.256 1.00 71.21 O ATOM 226 CB LEU A 16 11.501 -10.184 -22.466 1.00 22.22 C ATOM 227 CG LEU A 16 10.258 -9.447 -21.965 1.00 63.44 C ATOM 228 CD1 LEU A 16 9.445 -8.916 -23.136 1.00 22.43 C ATOM 229 CD2 LEU A 16 9.409 -10.363 -21.096 1.00 24.33 C ATOM 0 H LEU A 16 14.351 -10.248 -23.323 1.00 41.12 H new ATOM 0 HA LEU A 16 11.878 -8.986 -24.209 1.00 43.14 H new ATOM 0 HB2 LEU A 16 11.178 -11.070 -23.013 1.00 22.22 H new ATOM 0 HB3 LEU A 16 12.066 -10.532 -21.601 1.00 22.22 H new ATOM 0 HG LEU A 16 10.580 -8.600 -21.359 1.00 63.44 H new ATOM 0 HD11 LEU A 16 8.564 -8.395 -22.761 1.00 22.43 H new ATOM 0 HD12 LEU A 16 10.055 -8.226 -23.719 1.00 22.43 H new ATOM 0 HD13 LEU A 16 9.133 -9.747 -23.769 1.00 22.43 H new ATOM 0 HD21 LEU A 16 8.529 -9.822 -20.748 1.00 24.33 H new ATOM 0 HD22 LEU A 16 9.096 -11.229 -21.678 1.00 24.33 H new ATOM 0 HD23 LEU A 16 9.993 -10.695 -20.238 1.00 24.33 H new ATOM 241 N ARG A 17 12.188 -7.219 -22.293 1.00 54.01 N ATOM 242 CA ARG A 17 12.622 -6.041 -21.552 1.00 53.10 C ATOM 243 C ARG A 17 11.689 -5.764 -20.376 1.00 62.13 C ATOM 244 O ARG A 17 10.473 -5.921 -20.485 1.00 11.43 O ATOM 245 CB ARG A 17 12.672 -4.822 -22.475 1.00 2.33 C ATOM 246 CG ARG A 17 13.371 -3.620 -21.859 1.00 33.40 C ATOM 247 CD ARG A 17 14.731 -3.380 -22.496 1.00 15.22 C ATOM 248 NE ARG A 17 14.965 -1.964 -22.768 1.00 33.21 N ATOM 249 CZ ARG A 17 14.524 -1.342 -23.856 1.00 22.31 C ATOM 250 NH1 ARG A 17 13.830 -2.008 -24.768 1.00 53.45 N ATOM 251 NH2 ARG A 17 14.778 -0.052 -24.032 1.00 52.24 N ATOM 0 H ARG A 17 11.203 -7.212 -22.557 1.00 54.01 H new ATOM 0 HA ARG A 17 13.621 -6.235 -21.163 1.00 53.10 H new ATOM 0 HB2 ARG A 17 13.184 -5.096 -23.398 1.00 2.33 H new ATOM 0 HB3 ARG A 17 11.655 -4.540 -22.747 1.00 2.33 H new ATOM 0 HG2 ARG A 17 12.749 -2.733 -21.982 1.00 33.40 H new ATOM 0 HG3 ARG A 17 13.493 -3.778 -20.787 1.00 33.40 H new ATOM 0 HD2 ARG A 17 15.512 -3.756 -21.836 1.00 15.22 H new ATOM 0 HD3 ARG A 17 14.801 -3.944 -23.426 1.00 15.22 H new ATOM 0 HE ARG A 17 15.496 -1.423 -22.085 1.00 33.21 H new ATOM 0 HH11 ARG A 17 13.634 -3.000 -24.635 1.00 53.45 H new ATOM 0 HH12 ARG A 17 13.492 -1.528 -25.603 1.00 53.45 H new ATOM 0 HH21 ARG A 17 15.312 0.463 -23.332 1.00 52.24 H new ATOM 0 HH22 ARG A 17 14.439 0.425 -24.867 1.00 52.24 H new ATOM 265 N VAL A 18 12.268 -5.352 -19.253 1.00 20.33 N ATOM 266 CA VAL A 18 11.489 -5.053 -18.057 1.00 25.12 C ATOM 267 C VAL A 18 12.201 -4.029 -17.180 1.00 11.20 C ATOM 268 O VAL A 18 13.176 -4.349 -16.501 1.00 2.35 O ATOM 269 CB VAL A 18 11.222 -6.324 -17.229 1.00 30.02 C ATOM 270 CG1 VAL A 18 10.602 -5.966 -15.887 1.00 31.43 C ATOM 271 CG2 VAL A 18 10.328 -7.283 -18.000 1.00 31.32 C ATOM 0 H VAL A 18 13.273 -5.218 -19.146 1.00 20.33 H new ATOM 0 HA VAL A 18 10.538 -4.641 -18.393 1.00 25.12 H new ATOM 0 HB VAL A 18 12.173 -6.822 -17.041 1.00 30.02 H new ATOM 0 HG11 VAL A 18 10.420 -6.876 -15.316 1.00 31.43 H new ATOM 0 HG12 VAL A 18 11.282 -5.319 -15.333 1.00 31.43 H new ATOM 0 HG13 VAL A 18 9.658 -5.445 -16.050 1.00 31.43 H new ATOM 0 HG21 VAL A 18 10.149 -8.176 -17.400 1.00 31.32 H new ATOM 0 HG22 VAL A 18 9.377 -6.797 -18.220 1.00 31.32 H new ATOM 0 HG23 VAL A 18 10.816 -7.564 -18.933 1.00 31.32 H new ATOM 281 N SER A 19 11.706 -2.795 -17.200 1.00 34.55 N ATOM 282 CA SER A 19 12.296 -1.722 -16.408 1.00 71.15 C ATOM 283 C SER A 19 11.310 -1.214 -15.361 1.00 53.54 C ATOM 284 O SER A 19 10.111 -1.481 -15.439 1.00 74.23 O ATOM 285 CB SER A 19 12.732 -0.571 -17.317 1.00 14.21 C ATOM 286 OG SER A 19 13.249 0.509 -16.559 1.00 24.10 O ATOM 0 H SER A 19 10.898 -2.514 -17.756 1.00 34.55 H new ATOM 0 HA SER A 19 13.170 -2.121 -15.894 1.00 71.15 H new ATOM 0 HB2 SER A 19 13.489 -0.923 -18.017 1.00 14.21 H new ATOM 0 HB3 SER A 19 11.883 -0.230 -17.910 1.00 14.21 H new ATOM 0 HG SER A 19 13.784 0.160 -15.815 1.00 24.10 H new ATOM 292 N VAL A 20 11.824 -0.478 -14.381 1.00 42.20 N ATOM 293 CA VAL A 20 10.990 0.070 -13.318 1.00 3.11 C ATOM 294 C VAL A 20 11.467 1.458 -12.906 1.00 11.41 C ATOM 295 O VAL A 20 12.646 1.795 -13.015 1.00 41.04 O ATOM 296 CB VAL A 20 10.984 -0.847 -12.080 1.00 43.24 C ATOM 297 CG1 VAL A 20 10.506 -2.242 -12.452 1.00 31.13 C ATOM 298 CG2 VAL A 20 12.368 -0.899 -11.450 1.00 14.24 C ATOM 0 H VAL A 20 12.814 -0.247 -14.301 1.00 42.20 H new ATOM 0 HA VAL A 20 9.977 0.140 -13.714 1.00 3.11 H new ATOM 0 HB VAL A 20 10.291 -0.435 -11.347 1.00 43.24 H new ATOM 0 HG11 VAL A 20 10.508 -2.876 -11.565 1.00 31.13 H new ATOM 0 HG12 VAL A 20 9.495 -2.185 -12.855 1.00 31.13 H new ATOM 0 HG13 VAL A 20 11.172 -2.667 -13.203 1.00 31.13 H new ATOM 0 HG21 VAL A 20 12.346 -1.551 -10.577 1.00 14.24 H new ATOM 0 HG22 VAL A 20 13.083 -1.287 -12.175 1.00 14.24 H new ATOM 0 HG23 VAL A 20 12.667 0.104 -11.146 1.00 14.24 H new ATOM 308 N PRO A 21 10.530 2.285 -12.420 1.00 14.55 N ATOM 309 CA PRO A 21 10.830 3.651 -11.980 1.00 2.22 C ATOM 310 C PRO A 21 11.659 3.679 -10.700 1.00 14.11 C ATOM 311 O PRO A 21 11.250 3.137 -9.673 1.00 10.12 O ATOM 312 CB PRO A 21 9.446 4.257 -11.734 1.00 42.42 C ATOM 313 CG PRO A 21 8.568 3.090 -11.439 1.00 44.51 C ATOM 314 CD PRO A 21 9.104 1.951 -12.261 1.00 24.12 C ATOM 0 HA PRO A 21 11.424 4.195 -12.715 1.00 2.22 H new ATOM 0 HB2 PRO A 21 9.464 4.959 -10.901 1.00 42.42 H new ATOM 0 HB3 PRO A 21 9.094 4.807 -12.607 1.00 42.42 H new ATOM 0 HG2 PRO A 21 8.586 2.847 -10.377 1.00 44.51 H new ATOM 0 HG3 PRO A 21 7.532 3.305 -11.699 1.00 44.51 H new ATOM 0 HD2 PRO A 21 8.969 0.994 -11.757 1.00 24.12 H new ATOM 0 HD3 PRO A 21 8.599 1.878 -13.224 1.00 24.12 H new ATOM 322 N ASP A 22 12.824 4.314 -10.769 1.00 35.24 N ATOM 323 CA ASP A 22 13.709 4.414 -9.614 1.00 61.42 C ATOM 324 C ASP A 22 13.274 5.548 -8.692 1.00 33.02 C ATOM 325 O ASP A 22 13.642 6.704 -8.898 1.00 70.32 O ATOM 326 CB ASP A 22 15.152 4.635 -10.069 1.00 44.24 C ATOM 327 CG ASP A 22 16.107 4.807 -8.904 1.00 50.23 C ATOM 328 OD1 ASP A 22 15.891 4.158 -7.860 1.00 32.20 O ATOM 329 OD2 ASP A 22 17.070 5.592 -9.036 1.00 72.25 O ATOM 0 H ASP A 22 13.177 4.767 -11.612 1.00 35.24 H new ATOM 0 HA ASP A 22 13.650 3.477 -9.060 1.00 61.42 H new ATOM 0 HB2 ASP A 22 15.472 3.788 -10.675 1.00 44.24 H new ATOM 0 HB3 ASP A 22 15.198 5.518 -10.706 1.00 44.24 H new ATOM 334 N GLU A 23 12.487 5.209 -7.675 1.00 61.43 N ATOM 335 CA GLU A 23 12.000 6.200 -6.723 1.00 24.21 C ATOM 336 C GLU A 23 12.944 6.317 -5.529 1.00 61.24 C ATOM 337 O GLU A 23 12.537 6.716 -4.439 1.00 61.12 O ATOM 338 CB GLU A 23 10.596 5.831 -6.242 1.00 34.30 C ATOM 339 CG GLU A 23 9.564 5.783 -7.356 1.00 54.32 C ATOM 340 CD GLU A 23 8.489 6.842 -7.201 1.00 71.24 C ATOM 341 OE1 GLU A 23 7.521 6.600 -6.450 1.00 4.40 O ATOM 342 OE2 GLU A 23 8.616 7.912 -7.832 1.00 42.22 O ATOM 0 H GLU A 23 12.174 4.256 -7.490 1.00 61.43 H new ATOM 0 HA GLU A 23 11.961 7.164 -7.230 1.00 24.21 H new ATOM 0 HB2 GLU A 23 10.633 4.859 -5.751 1.00 34.30 H new ATOM 0 HB3 GLU A 23 10.276 6.555 -5.493 1.00 34.30 H new ATOM 0 HG2 GLU A 23 10.064 5.916 -8.315 1.00 54.32 H new ATOM 0 HG3 GLU A 23 9.098 4.798 -7.373 1.00 54.32 H new ATOM 349 N GLY A 24 14.208 5.965 -5.745 1.00 21.21 N ATOM 350 CA GLY A 24 15.190 6.036 -4.679 1.00 2.51 C ATOM 351 C GLY A 24 15.652 4.667 -4.223 1.00 63.43 C ATOM 352 O GLY A 24 16.042 4.487 -3.069 1.00 63.14 O ATOM 0 H GLY A 24 14.569 5.632 -6.639 1.00 21.21 H new ATOM 0 HA2 GLY A 24 16.051 6.611 -5.020 1.00 2.51 H new ATOM 0 HA3 GLY A 24 14.763 6.573 -3.832 1.00 2.51 H new ATOM 356 N PHE A 25 15.608 3.697 -5.131 1.00 35.33 N ATOM 357 CA PHE A 25 16.022 2.335 -4.815 1.00 65.22 C ATOM 358 C PHE A 25 17.544 2.215 -4.820 1.00 33.05 C ATOM 359 O PHE A 25 18.245 3.099 -5.311 1.00 23.10 O ATOM 360 CB PHE A 25 15.419 1.350 -5.819 1.00 22.24 C ATOM 361 CG PHE A 25 13.933 1.186 -5.678 1.00 72.01 C ATOM 362 CD1 PHE A 25 13.401 0.418 -4.655 1.00 13.00 C ATOM 363 CD2 PHE A 25 13.068 1.800 -6.570 1.00 34.43 C ATOM 364 CE1 PHE A 25 12.033 0.265 -4.523 1.00 3.54 C ATOM 365 CE2 PHE A 25 11.699 1.651 -6.442 1.00 44.01 C ATOM 366 CZ PHE A 25 11.182 0.882 -5.418 1.00 53.11 C ATOM 0 H PHE A 25 15.290 3.829 -6.091 1.00 35.33 H new ATOM 0 HA PHE A 25 15.658 2.094 -3.816 1.00 65.22 H new ATOM 0 HB2 PHE A 25 15.645 1.690 -6.830 1.00 22.24 H new ATOM 0 HB3 PHE A 25 15.897 0.378 -5.695 1.00 22.24 H new ATOM 0 HD1 PHE A 25 14.062 -0.067 -3.952 1.00 13.00 H new ATOM 0 HD2 PHE A 25 13.467 2.401 -7.374 1.00 34.43 H new ATOM 0 HE1 PHE A 25 11.631 -0.336 -3.721 1.00 3.54 H new ATOM 0 HE2 PHE A 25 11.035 2.136 -7.142 1.00 44.01 H new ATOM 0 HZ PHE A 25 10.113 0.763 -5.317 1.00 53.11 H new ATOM 376 N SER A 26 18.046 1.115 -4.268 1.00 2.13 N ATOM 377 CA SER A 26 19.484 0.880 -4.203 1.00 50.54 C ATOM 378 C SER A 26 19.834 -0.499 -4.753 1.00 23.14 C ATOM 379 O SER A 26 21.008 -0.832 -4.925 1.00 33.23 O ATOM 380 CB SER A 26 19.979 1.009 -2.762 1.00 20.35 C ATOM 381 OG SER A 26 21.379 0.807 -2.683 1.00 65.13 O ATOM 0 H SER A 26 17.478 0.373 -3.859 1.00 2.13 H new ATOM 0 HA SER A 26 19.979 1.633 -4.817 1.00 50.54 H new ATOM 0 HB2 SER A 26 19.729 1.997 -2.375 1.00 20.35 H new ATOM 0 HB3 SER A 26 19.467 0.281 -2.132 1.00 20.35 H new ATOM 0 HG SER A 26 21.652 0.143 -3.350 1.00 65.13 H new ATOM 387 N LEU A 27 18.809 -1.298 -5.026 1.00 13.11 N ATOM 388 CA LEU A 27 19.006 -2.643 -5.556 1.00 43.40 C ATOM 389 C LEU A 27 17.729 -3.165 -6.205 1.00 34.32 C ATOM 390 O LEU A 27 16.628 -2.944 -5.700 1.00 12.33 O ATOM 391 CB LEU A 27 19.451 -3.591 -4.441 1.00 72.34 C ATOM 392 CG LEU A 27 19.064 -5.060 -4.616 1.00 71.23 C ATOM 393 CD1 LEU A 27 17.564 -5.242 -4.440 1.00 4.03 C ATOM 394 CD2 LEU A 27 19.508 -5.570 -5.980 1.00 31.04 C ATOM 0 H LEU A 27 17.832 -1.038 -4.889 1.00 13.11 H new ATOM 0 HA LEU A 27 19.785 -2.597 -6.317 1.00 43.40 H new ATOM 0 HB2 LEU A 27 20.536 -3.530 -4.350 1.00 72.34 H new ATOM 0 HB3 LEU A 27 19.032 -3.235 -3.500 1.00 72.34 H new ATOM 0 HG LEU A 27 19.573 -5.643 -3.849 1.00 71.23 H new ATOM 0 HD11 LEU A 27 17.308 -6.294 -4.568 1.00 4.03 H new ATOM 0 HD12 LEU A 27 17.273 -4.917 -3.441 1.00 4.03 H new ATOM 0 HD13 LEU A 27 17.035 -4.646 -5.184 1.00 4.03 H new ATOM 0 HD21 LEU A 27 19.224 -6.617 -6.087 1.00 31.04 H new ATOM 0 HD22 LEU A 27 19.028 -4.982 -6.762 1.00 31.04 H new ATOM 0 HD23 LEU A 27 20.590 -5.476 -6.069 1.00 31.04 H new ATOM 406 N PHE A 28 17.883 -3.862 -7.326 1.00 13.01 N ATOM 407 CA PHE A 28 16.741 -4.418 -8.044 1.00 4.15 C ATOM 408 C PHE A 28 17.010 -5.862 -8.457 1.00 34.14 C ATOM 409 O PHE A 28 18.141 -6.229 -8.772 1.00 2.32 O ATOM 410 CB PHE A 28 16.428 -3.572 -9.279 1.00 52.14 C ATOM 411 CG PHE A 28 15.218 -4.041 -10.036 1.00 12.04 C ATOM 412 CD1 PHE A 28 14.061 -4.401 -9.363 1.00 70.02 C ATOM 413 CD2 PHE A 28 15.237 -4.121 -11.419 1.00 31.34 C ATOM 414 CE1 PHE A 28 12.947 -4.834 -10.057 1.00 15.33 C ATOM 415 CE2 PHE A 28 14.125 -4.553 -12.118 1.00 2.24 C ATOM 416 CZ PHE A 28 12.978 -4.908 -11.436 1.00 22.54 C ATOM 0 H PHE A 28 18.787 -4.055 -7.757 1.00 13.01 H new ATOM 0 HA PHE A 28 15.880 -4.404 -7.375 1.00 4.15 H new ATOM 0 HB2 PHE A 28 16.276 -2.537 -8.972 1.00 52.14 H new ATOM 0 HB3 PHE A 28 17.291 -3.583 -9.945 1.00 52.14 H new ATOM 0 HD1 PHE A 28 14.030 -4.343 -8.285 1.00 70.02 H new ATOM 0 HD2 PHE A 28 16.131 -3.843 -11.957 1.00 31.34 H new ATOM 0 HE1 PHE A 28 12.052 -5.115 -9.521 1.00 15.33 H new ATOM 0 HE2 PHE A 28 14.153 -4.613 -13.196 1.00 2.24 H new ATOM 0 HZ PHE A 28 12.107 -5.243 -11.980 1.00 22.54 H new ATOM 426 N ALA A 29 15.960 -6.677 -8.451 1.00 60.35 N ATOM 427 CA ALA A 29 16.081 -8.081 -8.827 1.00 11.44 C ATOM 428 C ALA A 29 15.030 -8.464 -9.863 1.00 65.14 C ATOM 429 O ALA A 29 14.057 -7.740 -10.073 1.00 44.44 O ATOM 430 CB ALA A 29 15.960 -8.968 -7.597 1.00 32.03 C ATOM 0 H ALA A 29 15.017 -6.390 -8.190 1.00 60.35 H new ATOM 0 HA ALA A 29 17.064 -8.229 -9.274 1.00 11.44 H new ATOM 0 HB1 ALA A 29 16.052 -10.013 -7.892 1.00 32.03 H new ATOM 0 HB2 ALA A 29 16.751 -8.719 -6.890 1.00 32.03 H new ATOM 0 HB3 ALA A 29 14.990 -8.808 -7.127 1.00 32.03 H new ATOM 436 N PHE A 30 15.234 -9.607 -10.510 1.00 33.21 N ATOM 437 CA PHE A 30 14.305 -10.086 -11.527 1.00 34.13 C ATOM 438 C PHE A 30 14.300 -11.611 -11.584 1.00 41.15 C ATOM 439 O PHE A 30 15.297 -12.232 -11.954 1.00 72.53 O ATOM 440 CB PHE A 30 14.675 -9.514 -12.897 1.00 10.25 C ATOM 441 CG PHE A 30 13.695 -9.867 -13.979 1.00 1.13 C ATOM 442 CD1 PHE A 30 13.522 -11.184 -14.372 1.00 31.33 C ATOM 443 CD2 PHE A 30 12.947 -8.882 -14.602 1.00 52.34 C ATOM 444 CE1 PHE A 30 12.621 -11.512 -15.368 1.00 4.33 C ATOM 445 CE2 PHE A 30 12.044 -9.203 -15.599 1.00 24.21 C ATOM 446 CZ PHE A 30 11.881 -10.520 -15.981 1.00 71.22 C ATOM 0 H PHE A 30 16.034 -10.219 -10.348 1.00 33.21 H new ATOM 0 HA PHE A 30 13.305 -9.747 -11.258 1.00 34.13 H new ATOM 0 HB2 PHE A 30 14.745 -8.429 -12.822 1.00 10.25 H new ATOM 0 HB3 PHE A 30 15.663 -9.879 -13.179 1.00 10.25 H new ATOM 0 HD1 PHE A 30 14.098 -11.963 -13.895 1.00 31.33 H new ATOM 0 HD2 PHE A 30 13.070 -7.851 -14.306 1.00 52.34 H new ATOM 0 HE1 PHE A 30 12.496 -12.542 -15.666 1.00 4.33 H new ATOM 0 HE2 PHE A 30 11.467 -8.425 -16.078 1.00 24.21 H new ATOM 0 HZ PHE A 30 11.176 -10.774 -16.758 1.00 71.22 H new ATOM 456 N HIS A 31 13.171 -12.208 -11.215 1.00 41.24 N ATOM 457 CA HIS A 31 13.036 -13.660 -11.225 1.00 33.11 C ATOM 458 C HIS A 31 11.594 -14.070 -11.513 1.00 4.50 C ATOM 459 O HIS A 31 10.764 -14.133 -10.608 1.00 30.24 O ATOM 460 CB HIS A 31 13.486 -14.244 -9.886 1.00 20.15 C ATOM 461 CG HIS A 31 14.326 -15.476 -10.022 1.00 22.54 C ATOM 462 ND1 HIS A 31 14.038 -16.691 -10.546 1.00 21.15 N flip ATOM 463 CD2 HIS A 31 15.633 -15.548 -9.588 1.00 4.22 C flip ATOM 464 CE1 HIS A 31 15.165 -17.466 -10.421 1.00 43.54 C flip ATOM 465 NE2 HIS A 31 16.113 -16.753 -9.840 1.00 43.43 N flip ATOM 0 H HIS A 31 12.337 -11.709 -10.906 1.00 41.24 H new ATOM 0 HA HIS A 31 13.673 -14.054 -12.017 1.00 33.11 H new ATOM 0 HB2 HIS A 31 14.050 -13.488 -9.341 1.00 20.15 H new ATOM 0 HB3 HIS A 31 12.606 -14.479 -9.287 1.00 20.15 H new ATOM 0 HD2 HIS A 31 16.179 -14.745 -9.116 1.00 4.22 H new ATOM 0 HE1 HIS A 31 15.261 -18.492 -10.745 1.00 43.54 H new ATOM 0 HE2 HIS A 31 17.055 -17.077 -9.623 1.00 43.43 H new ATOM 473 N GLY A 32 11.305 -14.345 -12.781 1.00 73.50 N ATOM 474 CA GLY A 32 9.963 -14.744 -13.166 1.00 23.14 C ATOM 475 C GLY A 32 9.960 -15.740 -14.308 1.00 73.22 C ATOM 476 O GLY A 32 11.016 -16.192 -14.751 1.00 74.44 O ATOM 0 H GLY A 32 11.975 -14.299 -13.548 1.00 73.50 H new ATOM 0 HA2 GLY A 32 9.456 -15.181 -12.306 1.00 23.14 H new ATOM 0 HA3 GLY A 32 9.394 -13.861 -13.457 1.00 23.14 H new ATOM 480 N LYS A 33 8.769 -16.085 -14.786 1.00 60.24 N ATOM 481 CA LYS A 33 8.631 -17.035 -15.884 1.00 53.33 C ATOM 482 C LYS A 33 7.682 -16.498 -16.952 1.00 4.13 C ATOM 483 O LYS A 33 7.360 -15.309 -16.969 1.00 32.20 O ATOM 484 CB LYS A 33 8.119 -18.379 -15.362 1.00 0.02 C ATOM 485 CG LYS A 33 8.742 -18.795 -14.041 1.00 22.13 C ATOM 486 CD LYS A 33 7.764 -19.585 -13.187 1.00 64.22 C ATOM 487 CE LYS A 33 7.493 -20.960 -13.778 1.00 64.23 C ATOM 488 NZ LYS A 33 8.329 -22.014 -13.138 1.00 41.44 N ATOM 0 H LYS A 33 7.885 -15.721 -14.430 1.00 60.24 H new ATOM 0 HA LYS A 33 9.614 -17.177 -16.334 1.00 53.33 H new ATOM 0 HB2 LYS A 33 7.037 -18.325 -15.243 1.00 0.02 H new ATOM 0 HB3 LYS A 33 8.319 -19.149 -16.107 1.00 0.02 H new ATOM 0 HG2 LYS A 33 9.630 -19.398 -14.230 1.00 22.13 H new ATOM 0 HG3 LYS A 33 9.068 -17.909 -13.497 1.00 22.13 H new ATOM 0 HD2 LYS A 33 8.165 -19.693 -12.179 1.00 64.22 H new ATOM 0 HD3 LYS A 33 6.828 -19.034 -13.100 1.00 64.22 H new ATOM 0 HE2 LYS A 33 6.439 -21.207 -13.653 1.00 64.23 H new ATOM 0 HE3 LYS A 33 7.691 -20.940 -14.850 1.00 64.23 H new ATOM 0 HZ1 LYS A 33 8.115 -22.936 -13.569 1.00 41.44 H new ATOM 0 HZ2 LYS A 33 9.335 -21.792 -13.278 1.00 41.44 H new ATOM 0 HZ3 LYS A 33 8.122 -22.051 -12.120 1.00 41.44 H new ATOM 502 N LEU A 34 7.238 -17.380 -17.839 1.00 60.55 N ATOM 503 CA LEU A 34 6.325 -16.995 -18.910 1.00 34.42 C ATOM 504 C LEU A 34 5.271 -18.074 -19.141 1.00 65.24 C ATOM 505 O LEU A 34 5.535 -19.262 -18.959 1.00 40.11 O ATOM 506 CB LEU A 34 7.102 -16.739 -20.202 1.00 75.24 C ATOM 507 CG LEU A 34 6.259 -16.456 -21.447 1.00 2.12 C ATOM 508 CD1 LEU A 34 5.786 -15.011 -21.453 1.00 55.21 C ATOM 509 CD2 LEU A 34 7.052 -16.765 -22.709 1.00 15.13 C ATOM 0 H LEU A 34 7.495 -18.367 -17.839 1.00 60.55 H new ATOM 0 HA LEU A 34 5.819 -16.077 -18.611 1.00 34.42 H new ATOM 0 HB2 LEU A 34 7.769 -15.893 -20.039 1.00 75.24 H new ATOM 0 HB3 LEU A 34 7.730 -17.607 -20.403 1.00 75.24 H new ATOM 0 HG LEU A 34 5.383 -17.104 -21.425 1.00 2.12 H new ATOM 0 HD11 LEU A 34 5.188 -14.828 -22.346 1.00 55.21 H new ATOM 0 HD12 LEU A 34 5.181 -14.822 -20.566 1.00 55.21 H new ATOM 0 HD13 LEU A 34 6.649 -14.346 -21.452 1.00 55.21 H new ATOM 0 HD21 LEU A 34 6.437 -16.558 -23.585 1.00 15.13 H new ATOM 0 HD22 LEU A 34 7.946 -16.143 -22.738 1.00 15.13 H new ATOM 0 HD23 LEU A 34 7.341 -17.816 -22.709 1.00 15.13 H new ATOM 521 N ASN A 35 4.078 -17.652 -19.546 1.00 42.24 N ATOM 522 CA ASN A 35 2.985 -18.582 -19.805 1.00 22.21 C ATOM 523 C ASN A 35 2.811 -19.553 -18.641 1.00 72.22 C ATOM 524 O ASN A 35 2.263 -20.642 -18.806 1.00 74.43 O ATOM 525 CB ASN A 35 3.244 -19.359 -21.097 1.00 50.15 C ATOM 526 CG ASN A 35 2.902 -18.552 -22.335 1.00 44.11 C ATOM 527 OD1 ASN A 35 3.114 -17.243 -22.265 1.00 72.34 O flip ATOM 528 ND2 ASN A 35 2.454 -19.099 -23.342 1.00 2.23 N flip ATOM 0 H ASN A 35 3.843 -16.672 -19.702 1.00 42.24 H new ATOM 0 HA ASN A 35 2.067 -18.004 -19.914 1.00 22.21 H new ATOM 0 HB2 ASN A 35 4.293 -19.653 -21.137 1.00 50.15 H new ATOM 0 HB3 ASN A 35 2.655 -20.276 -21.090 1.00 50.15 H new ATOM 0 HD21 ASN A 35 2.307 -20.108 -23.351 1.00 2.23 H new ATOM 0 HD22 ASN A 35 2.230 -18.543 -24.167 1.00 2.23 H new ATOM 535 N GLU A 36 3.281 -19.149 -17.465 1.00 34.41 N ATOM 536 CA GLU A 36 3.176 -19.984 -16.274 1.00 64.40 C ATOM 537 C GLU A 36 3.555 -19.197 -15.023 1.00 20.22 C ATOM 538 O GLU A 36 4.460 -18.364 -15.052 1.00 23.30 O ATOM 539 CB GLU A 36 4.075 -21.215 -16.407 1.00 24.41 C ATOM 540 CG GLU A 36 3.902 -22.220 -15.280 1.00 42.01 C ATOM 541 CD GLU A 36 3.334 -23.542 -15.759 1.00 54.41 C ATOM 542 OE1 GLU A 36 2.362 -23.521 -16.543 1.00 12.22 O ATOM 543 OE2 GLU A 36 3.861 -24.597 -15.350 1.00 5.12 O ATOM 0 H GLU A 36 3.738 -18.250 -17.312 1.00 34.41 H new ATOM 0 HA GLU A 36 2.140 -20.308 -16.178 1.00 64.40 H new ATOM 0 HB2 GLU A 36 3.865 -21.707 -17.357 1.00 24.41 H new ATOM 0 HB3 GLU A 36 5.116 -20.893 -16.438 1.00 24.41 H new ATOM 0 HG2 GLU A 36 4.866 -22.395 -14.803 1.00 42.01 H new ATOM 0 HG3 GLU A 36 3.242 -21.799 -14.521 1.00 42.01 H new ATOM 550 N GLU A 37 2.854 -19.468 -13.926 1.00 3.31 N ATOM 551 CA GLU A 37 3.116 -18.784 -12.665 1.00 41.30 C ATOM 552 C GLU A 37 3.770 -19.727 -11.660 1.00 22.22 C ATOM 553 O GLU A 37 3.598 -20.944 -11.732 1.00 3.42 O ATOM 554 CB GLU A 37 1.816 -18.223 -12.084 1.00 24.11 C ATOM 555 CG GLU A 37 0.814 -19.295 -11.690 1.00 11.33 C ATOM 556 CD GLU A 37 -0.162 -18.819 -10.631 1.00 31.41 C ATOM 557 OE1 GLU A 37 -0.976 -17.922 -10.935 1.00 3.00 O ATOM 558 OE2 GLU A 37 -0.112 -19.344 -9.499 1.00 33.20 O ATOM 0 H GLU A 37 2.101 -20.155 -13.885 1.00 3.31 H new ATOM 0 HA GLU A 37 3.802 -17.961 -12.864 1.00 41.30 H new ATOM 0 HB2 GLU A 37 2.051 -17.617 -11.209 1.00 24.11 H new ATOM 0 HB3 GLU A 37 1.357 -17.560 -12.817 1.00 24.11 H new ATOM 0 HG2 GLU A 37 0.260 -19.612 -12.574 1.00 11.33 H new ATOM 0 HG3 GLU A 37 1.349 -20.169 -11.319 1.00 11.33 H new ATOM 565 N MET A 38 4.521 -19.157 -10.724 1.00 3.44 N ATOM 566 CA MET A 38 5.201 -19.946 -9.703 1.00 71.32 C ATOM 567 C MET A 38 4.358 -20.038 -8.435 1.00 53.43 C ATOM 568 O MET A 38 3.243 -19.520 -8.383 1.00 35.31 O ATOM 569 CB MET A 38 6.565 -19.335 -9.379 1.00 43.33 C ATOM 570 CG MET A 38 6.533 -17.823 -9.227 1.00 52.42 C ATOM 571 SD MET A 38 7.159 -16.964 -10.684 1.00 74.43 S ATOM 572 CE MET A 38 8.839 -16.613 -10.175 1.00 25.54 C ATOM 0 H MET A 38 4.674 -18.151 -10.651 1.00 3.44 H new ATOM 0 HA MET A 38 5.346 -20.953 -10.095 1.00 71.32 H new ATOM 0 HB2 MET A 38 6.942 -19.777 -8.457 1.00 43.33 H new ATOM 0 HB3 MET A 38 7.269 -19.598 -10.169 1.00 43.33 H new ATOM 0 HG2 MET A 38 5.509 -17.503 -9.033 1.00 52.42 H new ATOM 0 HG3 MET A 38 7.126 -17.537 -8.359 1.00 52.42 H new ATOM 0 HE1 MET A 38 9.518 -16.800 -11.007 1.00 25.54 H new ATOM 0 HE2 MET A 38 8.917 -15.569 -9.871 1.00 25.54 H new ATOM 0 HE3 MET A 38 9.107 -17.256 -9.337 1.00 25.54 H new ATOM 582 N GLU A 39 4.898 -20.699 -7.417 1.00 3.14 N ATOM 583 CA GLU A 39 4.194 -20.858 -6.150 1.00 34.10 C ATOM 584 C GLU A 39 4.629 -19.793 -5.148 1.00 14.42 C ATOM 585 O GLU A 39 5.820 -19.540 -4.972 1.00 54.50 O ATOM 586 CB GLU A 39 4.447 -22.252 -5.571 1.00 41.25 C ATOM 587 CG GLU A 39 3.209 -22.896 -4.971 1.00 11.22 C ATOM 588 CD GLU A 39 3.461 -23.468 -3.590 1.00 31.45 C ATOM 589 OE1 GLU A 39 3.992 -24.595 -3.501 1.00 41.05 O ATOM 590 OE2 GLU A 39 3.127 -22.789 -2.596 1.00 53.13 O ATOM 0 H GLU A 39 5.821 -21.133 -7.444 1.00 3.14 H new ATOM 0 HA GLU A 39 3.127 -20.739 -6.340 1.00 34.10 H new ATOM 0 HB2 GLU A 39 4.837 -22.898 -6.358 1.00 41.25 H new ATOM 0 HB3 GLU A 39 5.218 -22.183 -4.804 1.00 41.25 H new ATOM 0 HG2 GLU A 39 2.411 -22.156 -4.914 1.00 11.22 H new ATOM 0 HG3 GLU A 39 2.861 -23.690 -5.631 1.00 11.22 H new ATOM 597 N GLY A 40 3.653 -19.171 -4.493 1.00 54.41 N ATOM 598 CA GLY A 40 3.954 -18.139 -3.517 1.00 73.44 C ATOM 599 C GLY A 40 4.985 -17.149 -4.020 1.00 40.23 C ATOM 600 O GLY A 40 4.642 -16.158 -4.666 1.00 12.41 O ATOM 0 H GLY A 40 2.659 -19.363 -4.621 1.00 54.41 H new ATOM 0 HA2 GLY A 40 3.038 -17.607 -3.261 1.00 73.44 H new ATOM 0 HA3 GLY A 40 4.318 -18.604 -2.601 1.00 73.44 H new ATOM 604 N LEU A 41 6.252 -17.415 -3.723 1.00 42.25 N ATOM 605 CA LEU A 41 7.338 -16.538 -4.149 1.00 11.04 C ATOM 606 C LEU A 41 8.662 -17.294 -4.194 1.00 41.41 C ATOM 607 O LEU A 41 9.445 -17.249 -3.246 1.00 64.12 O ATOM 608 CB LEU A 41 7.453 -15.341 -3.203 1.00 50.12 C ATOM 609 CG LEU A 41 7.642 -15.671 -1.722 1.00 75.11 C ATOM 610 CD1 LEU A 41 9.017 -15.228 -1.247 1.00 55.32 C ATOM 611 CD2 LEU A 41 6.550 -15.017 -0.887 1.00 24.31 C ATOM 0 H LEU A 41 6.553 -18.230 -3.189 1.00 42.25 H new ATOM 0 HA LEU A 41 7.111 -16.180 -5.153 1.00 11.04 H new ATOM 0 HB2 LEU A 41 8.293 -14.726 -3.528 1.00 50.12 H new ATOM 0 HB3 LEU A 41 6.554 -14.733 -3.307 1.00 50.12 H new ATOM 0 HG LEU A 41 7.569 -16.751 -1.598 1.00 75.11 H new ATOM 0 HD11 LEU A 41 9.133 -15.471 -0.191 1.00 55.32 H new ATOM 0 HD12 LEU A 41 9.785 -15.743 -1.824 1.00 55.32 H new ATOM 0 HD13 LEU A 41 9.120 -14.152 -1.385 1.00 55.32 H new ATOM 0 HD21 LEU A 41 6.700 -15.262 0.164 1.00 24.31 H new ATOM 0 HD22 LEU A 41 6.591 -13.936 -1.017 1.00 24.31 H new ATOM 0 HD23 LEU A 41 5.576 -15.384 -1.210 1.00 24.31 H new ATOM 623 N GLU A 42 8.905 -17.985 -5.303 1.00 43.13 N ATOM 624 CA GLU A 42 10.136 -18.749 -5.472 1.00 51.21 C ATOM 625 C GLU A 42 10.872 -18.322 -6.739 1.00 74.21 C ATOM 626 O GLU A 42 10.542 -17.305 -7.349 1.00 34.44 O ATOM 627 CB GLU A 42 9.829 -20.247 -5.527 1.00 51.23 C ATOM 628 CG GLU A 42 9.335 -20.717 -6.885 1.00 34.21 C ATOM 629 CD GLU A 42 9.328 -22.228 -7.012 1.00 34.23 C ATOM 630 OE1 GLU A 42 10.410 -22.839 -6.893 1.00 20.24 O ATOM 631 OE2 GLU A 42 8.239 -22.800 -7.230 1.00 14.41 O ATOM 0 H GLU A 42 8.267 -18.032 -6.097 1.00 43.13 H new ATOM 0 HA GLU A 42 10.779 -18.549 -4.615 1.00 51.21 H new ATOM 0 HB2 GLU A 42 10.729 -20.804 -5.264 1.00 51.23 H new ATOM 0 HB3 GLU A 42 9.077 -20.483 -4.774 1.00 51.23 H new ATOM 0 HG2 GLU A 42 8.327 -20.337 -7.052 1.00 34.21 H new ATOM 0 HG3 GLU A 42 9.968 -20.293 -7.664 1.00 34.21 H new ATOM 638 N ALA A 43 11.871 -19.107 -7.129 1.00 32.23 N ATOM 639 CA ALA A 43 12.653 -18.813 -8.323 1.00 54.51 C ATOM 640 C ALA A 43 12.097 -19.548 -9.538 1.00 43.11 C ATOM 641 O ALA A 43 12.255 -20.761 -9.667 1.00 35.21 O ATOM 642 CB ALA A 43 14.112 -19.181 -8.103 1.00 3.15 C ATOM 0 H ALA A 43 12.158 -19.952 -6.635 1.00 32.23 H new ATOM 0 HA ALA A 43 12.586 -17.742 -8.516 1.00 54.51 H new ATOM 0 HB1 ALA A 43 14.684 -18.956 -9.003 1.00 3.15 H new ATOM 0 HB2 ALA A 43 14.510 -18.606 -7.267 1.00 3.15 H new ATOM 0 HB3 ALA A 43 14.189 -20.245 -7.881 1.00 3.15 H new ATOM 648 N GLY A 44 11.446 -18.804 -10.427 1.00 71.45 N ATOM 649 CA GLY A 44 10.876 -19.404 -11.620 1.00 42.32 C ATOM 650 C GLY A 44 11.933 -19.795 -12.634 1.00 21.54 C ATOM 651 O GLY A 44 12.687 -20.745 -12.419 1.00 63.25 O ATOM 0 H GLY A 44 11.303 -17.798 -10.343 1.00 71.45 H new ATOM 0 HA2 GLY A 44 10.301 -20.287 -11.340 1.00 42.32 H new ATOM 0 HA3 GLY A 44 10.179 -18.702 -12.078 1.00 42.32 H new ATOM 655 N HIS A 45 11.988 -19.064 -13.742 1.00 2.30 N ATOM 656 CA HIS A 45 12.960 -19.341 -14.794 1.00 3.25 C ATOM 657 C HIS A 45 14.048 -18.272 -14.823 1.00 43.40 C ATOM 658 O HIS A 45 15.202 -18.537 -14.486 1.00 61.34 O ATOM 659 CB HIS A 45 12.265 -19.415 -16.153 1.00 61.22 C ATOM 660 CG HIS A 45 12.277 -20.785 -16.758 1.00 30.52 C ATOM 661 ND1 HIS A 45 13.400 -21.347 -17.329 1.00 12.44 N ATOM 662 CD2 HIS A 45 11.295 -21.709 -16.877 1.00 33.10 C ATOM 663 CE1 HIS A 45 13.107 -22.555 -17.774 1.00 63.32 C ATOM 664 NE2 HIS A 45 11.836 -22.800 -17.512 1.00 50.41 N ATOM 0 H HIS A 45 11.371 -18.275 -13.935 1.00 2.30 H new ATOM 0 HA HIS A 45 13.426 -20.303 -14.580 1.00 3.25 H new ATOM 0 HB2 HIS A 45 11.232 -19.085 -16.042 1.00 61.22 H new ATOM 0 HB3 HIS A 45 12.750 -18.720 -16.838 1.00 61.22 H new ATOM 0 HD2 HIS A 45 10.275 -21.607 -16.536 1.00 33.10 H new ATOM 0 HE1 HIS A 45 13.791 -23.229 -18.269 1.00 63.32 H new ATOM 0 HE2 HIS A 45 11.338 -23.659 -17.743 1.00 50.41 H new ATOM 672 N TRP A 46 13.673 -17.064 -15.228 1.00 51.12 N ATOM 673 CA TRP A 46 14.617 -15.955 -15.302 1.00 44.14 C ATOM 674 C TRP A 46 15.312 -15.741 -13.962 1.00 41.01 C ATOM 675 O TRP A 46 14.937 -16.342 -12.955 1.00 50.33 O ATOM 676 CB TRP A 46 13.899 -14.674 -15.729 1.00 12.34 C ATOM 677 CG TRP A 46 13.291 -14.760 -17.096 1.00 65.21 C ATOM 678 CD1 TRP A 46 13.913 -15.158 -18.245 1.00 70.32 C ATOM 679 CD2 TRP A 46 11.944 -14.439 -17.457 1.00 74.40 C ATOM 680 NE1 TRP A 46 13.033 -15.104 -19.299 1.00 34.22 N ATOM 681 CE2 TRP A 46 11.818 -14.667 -18.841 1.00 74.24 C ATOM 682 CE3 TRP A 46 10.831 -13.984 -16.745 1.00 75.14 C ATOM 683 CZ2 TRP A 46 10.624 -14.453 -19.525 1.00 73.30 C ATOM 684 CZ3 TRP A 46 9.646 -13.772 -17.425 1.00 44.04 C ATOM 685 CH2 TRP A 46 9.550 -14.007 -18.803 1.00 70.24 C ATOM 0 H TRP A 46 12.722 -16.828 -15.510 1.00 51.12 H new ATOM 0 HA TRP A 46 15.373 -16.204 -16.046 1.00 44.14 H new ATOM 0 HB2 TRP A 46 13.117 -14.446 -15.005 1.00 12.34 H new ATOM 0 HB3 TRP A 46 14.606 -13.845 -15.705 1.00 12.34 H new ATOM 0 HD1 TRP A 46 14.945 -15.469 -18.315 1.00 70.32 H new ATOM 0 HE1 TRP A 46 13.249 -15.349 -20.265 1.00 34.22 H new ATOM 0 HE3 TRP A 46 10.895 -13.801 -15.683 1.00 75.14 H new ATOM 0 HZ2 TRP A 46 10.548 -14.633 -20.587 1.00 73.30 H new ATOM 0 HZ3 TRP A 46 8.780 -13.419 -16.885 1.00 44.04 H new ATOM 0 HH2 TRP A 46 8.610 -13.833 -19.305 1.00 70.24 H new ATOM 696 N SER A 47 16.326 -14.882 -13.956 1.00 40.54 N ATOM 697 CA SER A 47 17.075 -14.591 -12.740 1.00 23.55 C ATOM 698 C SER A 47 18.118 -13.506 -12.989 1.00 63.34 C ATOM 699 O SER A 47 18.921 -13.603 -13.918 1.00 74.41 O ATOM 700 CB SER A 47 17.756 -15.859 -12.220 1.00 62.22 C ATOM 701 OG SER A 47 18.842 -16.232 -13.051 1.00 51.01 O ATOM 0 H SER A 47 16.648 -14.375 -14.781 1.00 40.54 H new ATOM 0 HA SER A 47 16.373 -14.229 -11.989 1.00 23.55 H new ATOM 0 HB2 SER A 47 18.112 -15.693 -11.203 1.00 62.22 H new ATOM 0 HB3 SER A 47 17.032 -16.672 -12.176 1.00 62.22 H new ATOM 0 HG SER A 47 19.129 -15.459 -13.581 1.00 51.01 H new ATOM 707 N ARG A 48 18.100 -12.473 -12.154 1.00 31.23 N ATOM 708 CA ARG A 48 19.042 -11.369 -12.284 1.00 5.53 C ATOM 709 C ARG A 48 18.935 -10.420 -11.094 1.00 4.45 C ATOM 710 O ARG A 48 17.897 -10.347 -10.436 1.00 21.30 O ATOM 711 CB ARG A 48 18.788 -10.604 -13.584 1.00 3.41 C ATOM 712 CG ARG A 48 20.060 -10.175 -14.297 1.00 4.33 C ATOM 713 CD ARG A 48 20.156 -8.661 -14.403 1.00 52.32 C ATOM 714 NE ARG A 48 21.130 -8.243 -15.407 1.00 44.04 N ATOM 715 CZ ARG A 48 22.442 -8.396 -15.266 1.00 44.14 C ATOM 716 NH1 ARG A 48 22.934 -8.954 -14.169 1.00 30.20 N ATOM 717 NH2 ARG A 48 23.266 -7.990 -16.225 1.00 34.31 N ATOM 0 H ARG A 48 17.443 -12.378 -11.380 1.00 31.23 H new ATOM 0 HA ARG A 48 20.049 -11.785 -12.306 1.00 5.53 H new ATOM 0 HB2 ARG A 48 18.199 -11.230 -14.255 1.00 3.41 H new ATOM 0 HB3 ARG A 48 18.189 -9.720 -13.364 1.00 3.41 H new ATOM 0 HG2 ARG A 48 20.927 -10.559 -13.759 1.00 4.33 H new ATOM 0 HG3 ARG A 48 20.084 -10.613 -15.295 1.00 4.33 H new ATOM 0 HD2 ARG A 48 19.177 -8.253 -14.655 1.00 52.32 H new ATOM 0 HD3 ARG A 48 20.434 -8.247 -13.434 1.00 52.32 H new ATOM 0 HE ARG A 48 20.784 -7.810 -16.263 1.00 44.04 H new ATOM 0 HH11 ARG A 48 22.305 -9.267 -13.430 1.00 30.20 H new ATOM 0 HH12 ARG A 48 23.942 -9.070 -14.064 1.00 30.20 H new ATOM 0 HH21 ARG A 48 22.892 -7.560 -17.071 1.00 34.31 H new ATOM 0 HH22 ARG A 48 24.273 -8.108 -16.116 1.00 34.31 H new ATOM 731 N ASP A 49 20.015 -9.695 -10.823 1.00 2.24 N ATOM 732 CA ASP A 49 20.043 -8.750 -9.712 1.00 51.22 C ATOM 733 C ASP A 49 20.826 -7.495 -10.086 1.00 54.10 C ATOM 734 O ASP A 49 22.057 -7.487 -10.055 1.00 35.04 O ATOM 735 CB ASP A 49 20.662 -9.402 -8.475 1.00 33.11 C ATOM 736 CG ASP A 49 19.668 -9.548 -7.339 1.00 71.34 C ATOM 737 OD1 ASP A 49 18.827 -10.469 -7.402 1.00 51.05 O ATOM 738 OD2 ASP A 49 19.731 -8.742 -6.388 1.00 13.51 O ATOM 0 H ASP A 49 20.883 -9.743 -11.357 1.00 2.24 H new ATOM 0 HA ASP A 49 19.016 -8.463 -9.486 1.00 51.22 H new ATOM 0 HB2 ASP A 49 21.051 -10.385 -8.742 1.00 33.11 H new ATOM 0 HB3 ASP A 49 21.509 -8.804 -8.138 1.00 33.11 H new ATOM 743 N ILE A 50 20.104 -6.437 -10.440 1.00 74.23 N ATOM 744 CA ILE A 50 20.731 -5.177 -10.820 1.00 74.41 C ATOM 745 C ILE A 50 21.087 -4.348 -9.591 1.00 33.11 C ATOM 746 O ILE A 50 20.223 -4.021 -8.777 1.00 13.05 O ATOM 747 CB ILE A 50 19.814 -4.347 -11.738 1.00 45.20 C ATOM 748 CG1 ILE A 50 19.194 -5.237 -12.817 1.00 30.25 C ATOM 749 CG2 ILE A 50 20.594 -3.204 -12.371 1.00 63.10 C ATOM 750 CD1 ILE A 50 20.084 -5.434 -14.024 1.00 1.33 C ATOM 0 H ILE A 50 19.085 -6.427 -10.472 1.00 74.23 H new ATOM 0 HA ILE A 50 21.643 -5.428 -11.362 1.00 74.41 H new ATOM 0 HB ILE A 50 19.009 -3.924 -11.137 1.00 45.20 H new ATOM 0 HG12 ILE A 50 18.962 -6.210 -12.384 1.00 30.25 H new ATOM 0 HG13 ILE A 50 18.250 -4.798 -13.140 1.00 30.25 H new ATOM 0 HG21 ILE A 50 19.933 -2.626 -13.017 1.00 63.10 H new ATOM 0 HG22 ILE A 50 20.992 -2.558 -11.589 1.00 63.10 H new ATOM 0 HG23 ILE A 50 21.416 -3.608 -12.962 1.00 63.10 H new ATOM 0 HD11 ILE A 50 19.580 -6.075 -14.747 1.00 1.33 H new ATOM 0 HD12 ILE A 50 20.296 -4.468 -14.482 1.00 1.33 H new ATOM 0 HD13 ILE A 50 21.019 -5.901 -13.714 1.00 1.33 H new ATOM 762 N THR A 51 22.366 -4.009 -9.463 1.00 13.50 N ATOM 763 CA THR A 51 22.837 -3.217 -8.334 1.00 40.50 C ATOM 764 C THR A 51 23.243 -1.815 -8.777 1.00 30.44 C ATOM 765 O THR A 51 24.220 -1.254 -8.280 1.00 32.54 O ATOM 766 CB THR A 51 24.034 -3.889 -7.637 1.00 24.44 C ATOM 767 OG1 THR A 51 25.129 -4.010 -8.551 1.00 65.22 O ATOM 768 CG2 THR A 51 23.652 -5.265 -7.111 1.00 54.23 C ATOM 0 H THR A 51 23.094 -4.271 -10.128 1.00 13.50 H new ATOM 0 HA THR A 51 22.008 -3.147 -7.630 1.00 40.50 H new ATOM 0 HB THR A 51 24.332 -3.265 -6.794 1.00 24.44 H new ATOM 0 HG1 THR A 51 25.887 -4.437 -8.099 1.00 65.22 H new ATOM 0 HG21 THR A 51 24.514 -5.720 -6.623 1.00 54.23 H new ATOM 0 HG22 THR A 51 22.838 -5.167 -6.393 1.00 54.23 H new ATOM 0 HG23 THR A 51 23.330 -5.895 -7.940 1.00 54.23 H new ATOM 776 N LYS A 52 22.487 -1.254 -9.714 1.00 11.22 N ATOM 777 CA LYS A 52 22.766 0.084 -10.223 1.00 21.31 C ATOM 778 C LYS A 52 21.837 0.429 -11.382 1.00 41.43 C ATOM 779 O LYS A 52 21.857 -0.207 -12.436 1.00 41.22 O ATOM 780 CB LYS A 52 24.224 0.185 -10.676 1.00 43.11 C ATOM 781 CG LYS A 52 25.105 0.972 -9.721 1.00 53.31 C ATOM 782 CD LYS A 52 26.036 1.913 -10.468 1.00 33.22 C ATOM 783 CE LYS A 52 26.556 3.018 -9.561 1.00 70.13 C ATOM 784 NZ LYS A 52 27.445 3.962 -10.293 1.00 3.45 N ATOM 0 H LYS A 52 21.676 -1.705 -10.137 1.00 11.22 H new ATOM 0 HA LYS A 52 22.592 0.797 -9.417 1.00 21.31 H new ATOM 0 HB2 LYS A 52 24.631 -0.820 -10.788 1.00 43.11 H new ATOM 0 HB3 LYS A 52 24.258 0.654 -11.659 1.00 43.11 H new ATOM 0 HG2 LYS A 52 24.480 1.545 -9.036 1.00 53.31 H new ATOM 0 HG3 LYS A 52 25.693 0.283 -9.115 1.00 53.31 H new ATOM 0 HD2 LYS A 52 26.876 1.349 -10.875 1.00 33.22 H new ATOM 0 HD3 LYS A 52 25.508 2.353 -11.314 1.00 33.22 H new ATOM 0 HE2 LYS A 52 25.715 3.566 -9.137 1.00 70.13 H new ATOM 0 HE3 LYS A 52 27.102 2.577 -8.727 1.00 70.13 H new ATOM 0 HZ1 LYS A 52 27.779 4.700 -9.641 1.00 3.45 H new ATOM 0 HZ2 LYS A 52 28.261 3.444 -10.677 1.00 3.45 H new ATOM 0 HZ3 LYS A 52 26.917 4.402 -11.073 1.00 3.45 H new ATOM 798 N PRO A 53 21.004 1.462 -11.186 1.00 50.15 N ATOM 799 CA PRO A 53 20.054 1.917 -12.206 1.00 35.22 C ATOM 800 C PRO A 53 20.748 2.575 -13.393 1.00 52.21 C ATOM 801 O PRO A 53 21.890 3.024 -13.288 1.00 34.53 O ATOM 802 CB PRO A 53 19.192 2.937 -11.457 1.00 73.43 C ATOM 803 CG PRO A 53 20.062 3.430 -10.353 1.00 54.23 C ATOM 804 CD PRO A 53 20.926 2.266 -9.955 1.00 71.11 C ATOM 0 HA PRO A 53 19.487 1.090 -12.633 1.00 35.22 H new ATOM 0 HB2 PRO A 53 18.884 3.752 -12.112 1.00 73.43 H new ATOM 0 HB3 PRO A 53 18.282 2.478 -11.069 1.00 73.43 H new ATOM 0 HG2 PRO A 53 20.670 4.273 -10.682 1.00 54.23 H new ATOM 0 HG3 PRO A 53 19.464 3.778 -9.511 1.00 54.23 H new ATOM 0 HD2 PRO A 53 21.912 2.592 -9.625 1.00 71.11 H new ATOM 0 HD3 PRO A 53 20.486 1.701 -9.133 1.00 71.11 H new ATOM 812 N LYS A 54 20.051 2.631 -14.523 1.00 63.02 N ATOM 813 CA LYS A 54 20.599 3.236 -15.731 1.00 43.42 C ATOM 814 C LYS A 54 19.523 4.005 -16.491 1.00 71.33 C ATOM 815 O LYS A 54 18.428 3.494 -16.721 1.00 33.34 O ATOM 816 CB LYS A 54 21.207 2.161 -16.635 1.00 5.15 C ATOM 817 CG LYS A 54 20.226 1.071 -17.028 1.00 30.44 C ATOM 818 CD LYS A 54 20.423 0.636 -18.470 1.00 42.43 C ATOM 819 CE LYS A 54 20.825 -0.828 -18.562 1.00 5.42 C ATOM 820 NZ LYS A 54 22.187 -1.064 -18.007 1.00 32.55 N ATOM 0 H LYS A 54 19.105 2.264 -14.627 1.00 63.02 H new ATOM 0 HA LYS A 54 21.380 3.936 -15.434 1.00 43.42 H new ATOM 0 HB2 LYS A 54 21.593 2.634 -17.538 1.00 5.15 H new ATOM 0 HB3 LYS A 54 22.056 1.707 -16.125 1.00 5.15 H new ATOM 0 HG2 LYS A 54 20.351 0.213 -16.368 1.00 30.44 H new ATOM 0 HG3 LYS A 54 19.206 1.432 -16.892 1.00 30.44 H new ATOM 0 HD2 LYS A 54 19.501 0.797 -19.029 1.00 42.43 H new ATOM 0 HD3 LYS A 54 21.190 1.255 -18.936 1.00 42.43 H new ATOM 0 HE2 LYS A 54 20.102 -1.438 -18.021 1.00 5.42 H new ATOM 0 HE3 LYS A 54 20.797 -1.148 -19.604 1.00 5.42 H new ATOM 0 HZ1 LYS A 54 22.425 -2.073 -18.088 1.00 32.55 H new ATOM 0 HZ2 LYS A 54 22.881 -0.501 -18.539 1.00 32.55 H new ATOM 0 HZ3 LYS A 54 22.208 -0.783 -17.006 1.00 32.55 H new ATOM 834 N ASN A 55 19.843 5.234 -16.880 1.00 43.55 N ATOM 835 CA ASN A 55 18.903 6.073 -17.616 1.00 23.41 C ATOM 836 C ASN A 55 17.870 6.685 -16.676 1.00 11.35 C ATOM 837 O ASN A 55 16.831 7.178 -17.114 1.00 21.43 O ATOM 838 CB ASN A 55 18.200 5.255 -18.701 1.00 43.14 C ATOM 839 CG ASN A 55 18.033 6.032 -19.993 1.00 50.00 C ATOM 840 OD1 ASN A 55 18.973 6.165 -20.777 1.00 30.32 O ATOM 841 ND2 ASN A 55 16.832 6.550 -20.220 1.00 54.22 N ATOM 0 H ASN A 55 20.746 5.672 -16.698 1.00 43.55 H new ATOM 0 HA ASN A 55 19.465 6.881 -18.085 1.00 23.41 H new ATOM 0 HB2 ASN A 55 18.772 4.348 -18.897 1.00 43.14 H new ATOM 0 HB3 ASN A 55 17.221 4.942 -18.339 1.00 43.14 H new ATOM 0 HD21 ASN A 55 16.659 7.083 -21.072 1.00 54.22 H new ATOM 0 HD22 ASN A 55 16.082 6.415 -19.542 1.00 54.22 H new ATOM 848 N GLY A 56 18.164 6.651 -15.379 1.00 54.51 N ATOM 849 CA GLY A 56 17.251 7.207 -14.397 1.00 32.20 C ATOM 850 C GLY A 56 16.436 6.139 -13.694 1.00 52.32 C ATOM 851 O GLY A 56 15.956 6.348 -12.580 1.00 2.32 O ATOM 0 H GLY A 56 19.017 6.249 -14.991 1.00 54.51 H new ATOM 0 HA2 GLY A 56 17.818 7.773 -13.658 1.00 32.20 H new ATOM 0 HA3 GLY A 56 16.578 7.909 -14.888 1.00 32.20 H new ATOM 855 N ARG A 57 16.277 4.993 -14.347 1.00 71.31 N ATOM 856 CA ARG A 57 15.511 3.890 -13.779 1.00 25.41 C ATOM 857 C ARG A 57 16.242 2.564 -13.973 1.00 51.14 C ATOM 858 O ARG A 57 17.253 2.498 -14.673 1.00 34.00 O ATOM 859 CB ARG A 57 14.125 3.819 -14.421 1.00 13.01 C ATOM 860 CG ARG A 57 13.980 4.695 -15.655 1.00 34.42 C ATOM 861 CD ARG A 57 13.775 6.154 -15.281 1.00 53.41 C ATOM 862 NE ARG A 57 12.401 6.591 -15.514 1.00 13.33 N ATOM 863 CZ ARG A 57 11.863 7.662 -14.941 1.00 1.34 C ATOM 864 NH1 ARG A 57 12.580 8.402 -14.106 1.00 21.22 N ATOM 865 NH2 ARG A 57 10.606 7.996 -15.203 1.00 33.35 N ATOM 0 H ARG A 57 16.668 4.804 -15.270 1.00 71.31 H new ATOM 0 HA ARG A 57 15.399 4.071 -12.710 1.00 25.41 H new ATOM 0 HB2 ARG A 57 13.912 2.785 -14.693 1.00 13.01 H new ATOM 0 HB3 ARG A 57 13.377 4.116 -13.685 1.00 13.01 H new ATOM 0 HG2 ARG A 57 14.870 4.599 -16.277 1.00 34.42 H new ATOM 0 HG3 ARG A 57 13.136 4.349 -16.251 1.00 34.42 H new ATOM 0 HD2 ARG A 57 14.028 6.298 -14.231 1.00 53.41 H new ATOM 0 HD3 ARG A 57 14.457 6.776 -15.861 1.00 53.41 H new ATOM 0 HE ARG A 57 11.823 6.044 -16.152 1.00 13.33 H new ATOM 0 HH11 ARG A 57 13.547 8.149 -13.902 1.00 21.22 H new ATOM 0 HH12 ARG A 57 12.164 9.224 -13.667 1.00 21.22 H new ATOM 0 HH21 ARG A 57 10.051 7.430 -15.845 1.00 33.35 H new ATOM 0 HH22 ARG A 57 10.194 8.819 -14.762 1.00 33.35 H new ATOM 879 N TRP A 58 15.724 1.512 -13.350 1.00 13.33 N ATOM 880 CA TRP A 58 16.327 0.189 -13.454 1.00 21.52 C ATOM 881 C TRP A 58 15.802 -0.554 -14.678 1.00 24.13 C ATOM 882 O TRP A 58 14.698 -1.098 -14.658 1.00 52.15 O ATOM 883 CB TRP A 58 16.045 -0.624 -12.189 1.00 72.11 C ATOM 884 CG TRP A 58 16.264 0.150 -10.925 1.00 14.15 C ATOM 885 CD1 TRP A 58 15.467 1.138 -10.420 1.00 41.22 C ATOM 886 CD2 TRP A 58 17.352 0.001 -10.006 1.00 13.10 C ATOM 887 NE1 TRP A 58 15.995 1.613 -9.243 1.00 75.54 N ATOM 888 CE2 TRP A 58 17.150 0.931 -8.967 1.00 20.20 C ATOM 889 CE3 TRP A 58 18.475 -0.828 -9.959 1.00 24.23 C ATOM 890 CZ2 TRP A 58 18.032 1.053 -7.896 1.00 75.32 C ATOM 891 CZ3 TRP A 58 19.349 -0.706 -8.895 1.00 44.25 C ATOM 892 CH2 TRP A 58 19.123 0.228 -7.876 1.00 4.14 C ATOM 0 H TRP A 58 14.888 1.550 -12.767 1.00 13.33 H new ATOM 0 HA TRP A 58 17.404 0.316 -13.563 1.00 21.52 H new ATOM 0 HB2 TRP A 58 15.015 -0.978 -12.216 1.00 72.11 H new ATOM 0 HB3 TRP A 58 16.685 -1.506 -12.182 1.00 72.11 H new ATOM 0 HD1 TRP A 58 14.556 1.494 -10.878 1.00 41.22 H new ATOM 0 HE1 TRP A 58 15.592 2.353 -8.669 1.00 75.54 H new ATOM 0 HE3 TRP A 58 18.657 -1.551 -10.740 1.00 24.23 H new ATOM 0 HZ2 TRP A 58 17.861 1.773 -7.110 1.00 75.32 H new ATOM 0 HZ3 TRP A 58 20.221 -1.342 -8.849 1.00 44.25 H new ATOM 0 HH2 TRP A 58 19.824 0.298 -7.058 1.00 4.14 H new ATOM 903 N ILE A 59 16.600 -0.573 -15.740 1.00 24.21 N ATOM 904 CA ILE A 59 16.216 -1.251 -16.972 1.00 14.13 C ATOM 905 C ILE A 59 16.897 -2.610 -17.087 1.00 74.41 C ATOM 906 O ILE A 59 18.086 -2.747 -16.800 1.00 30.42 O ATOM 907 CB ILE A 59 16.566 -0.407 -18.212 1.00 11.05 C ATOM 908 CG1 ILE A 59 16.064 1.028 -18.037 1.00 73.23 C ATOM 909 CG2 ILE A 59 15.971 -1.034 -19.464 1.00 5.41 C ATOM 910 CD1 ILE A 59 16.769 2.027 -18.928 1.00 13.04 C ATOM 0 H ILE A 59 17.517 -0.127 -15.772 1.00 24.21 H new ATOM 0 HA ILE A 59 15.136 -1.391 -16.931 1.00 14.13 H new ATOM 0 HB ILE A 59 17.650 -0.381 -18.323 1.00 11.05 H new ATOM 0 HG12 ILE A 59 14.995 1.058 -18.246 1.00 73.23 H new ATOM 0 HG13 ILE A 59 16.194 1.326 -16.997 1.00 73.23 H new ATOM 0 HG21 ILE A 59 16.227 -0.426 -20.332 1.00 5.41 H new ATOM 0 HG22 ILE A 59 16.372 -2.039 -19.594 1.00 5.41 H new ATOM 0 HG23 ILE A 59 14.887 -1.086 -19.365 1.00 5.41 H new ATOM 0 HD11 ILE A 59 16.363 3.023 -18.751 1.00 13.04 H new ATOM 0 HD12 ILE A 59 17.836 2.025 -18.704 1.00 13.04 H new ATOM 0 HD13 ILE A 59 16.617 1.754 -19.972 1.00 13.04 H new ATOM 922 N PHE A 60 16.135 -3.613 -17.511 1.00 60.42 N ATOM 923 CA PHE A 60 16.665 -4.963 -17.666 1.00 31.10 C ATOM 924 C PHE A 60 16.270 -5.551 -19.018 1.00 2.32 C ATOM 925 O PHE A 60 15.180 -5.288 -19.527 1.00 5.44 O ATOM 926 CB PHE A 60 16.159 -5.865 -16.538 1.00 40.21 C ATOM 927 CG PHE A 60 16.441 -7.323 -16.764 1.00 54.21 C ATOM 928 CD1 PHE A 60 17.740 -7.773 -16.932 1.00 61.04 C ATOM 929 CD2 PHE A 60 15.406 -8.243 -16.809 1.00 14.01 C ATOM 930 CE1 PHE A 60 18.003 -9.114 -17.140 1.00 73.12 C ATOM 931 CE2 PHE A 60 15.662 -9.585 -17.016 1.00 22.11 C ATOM 932 CZ PHE A 60 16.962 -10.021 -17.183 1.00 61.11 C ATOM 0 H PHE A 60 15.149 -3.517 -17.753 1.00 60.42 H new ATOM 0 HA PHE A 60 17.752 -4.907 -17.618 1.00 31.10 H new ATOM 0 HB2 PHE A 60 16.621 -5.555 -15.601 1.00 40.21 H new ATOM 0 HB3 PHE A 60 15.084 -5.724 -16.426 1.00 40.21 H new ATOM 0 HD1 PHE A 60 18.557 -7.068 -16.900 1.00 61.04 H new ATOM 0 HD2 PHE A 60 14.387 -7.907 -16.681 1.00 14.01 H new ATOM 0 HE1 PHE A 60 19.021 -9.452 -17.269 1.00 73.12 H new ATOM 0 HE2 PHE A 60 14.846 -10.292 -17.047 1.00 22.11 H new ATOM 0 HZ PHE A 60 17.164 -11.069 -17.347 1.00 61.11 H new ATOM 942 N ARG A 61 17.165 -6.347 -19.594 1.00 33.00 N ATOM 943 CA ARG A 61 16.912 -6.971 -20.887 1.00 54.42 C ATOM 944 C ARG A 61 17.411 -8.412 -20.903 1.00 24.33 C ATOM 945 O ARG A 61 18.524 -8.699 -20.461 1.00 44.24 O ATOM 946 CB ARG A 61 17.589 -6.173 -22.003 1.00 54.13 C ATOM 947 CG ARG A 61 19.035 -5.815 -21.705 1.00 24.03 C ATOM 948 CD ARG A 61 19.132 -4.635 -20.750 1.00 33.53 C ATOM 949 NE ARG A 61 20.231 -3.738 -21.097 1.00 75.42 N ATOM 950 CZ ARG A 61 21.512 -4.051 -20.940 1.00 0.31 C ATOM 951 NH1 ARG A 61 21.854 -5.232 -20.444 1.00 11.21 N ATOM 952 NH2 ARG A 61 22.455 -3.181 -21.280 1.00 13.25 N ATOM 0 H ARG A 61 18.072 -6.575 -19.186 1.00 33.00 H new ATOM 0 HA ARG A 61 15.835 -6.976 -21.055 1.00 54.42 H new ATOM 0 HB2 ARG A 61 17.550 -6.751 -22.926 1.00 54.13 H new ATOM 0 HB3 ARG A 61 17.025 -5.256 -22.176 1.00 54.13 H new ATOM 0 HG2 ARG A 61 19.543 -6.677 -21.272 1.00 24.03 H new ATOM 0 HG3 ARG A 61 19.551 -5.575 -22.635 1.00 24.03 H new ATOM 0 HD2 ARG A 61 18.194 -4.080 -20.763 1.00 33.53 H new ATOM 0 HD3 ARG A 61 19.271 -5.002 -19.733 1.00 33.53 H new ATOM 0 HE ARG A 61 20.002 -2.821 -21.481 1.00 75.42 H new ATOM 0 HH11 ARG A 61 21.132 -5.903 -20.182 1.00 11.21 H new ATOM 0 HH12 ARG A 61 22.839 -5.469 -20.325 1.00 11.21 H new ATOM 0 HH21 ARG A 61 22.196 -2.271 -21.662 1.00 13.25 H new ATOM 0 HH22 ARG A 61 23.439 -3.422 -21.159 1.00 13.25 H new ATOM 966 N ASP A 62 16.581 -9.315 -21.413 1.00 22.21 N ATOM 967 CA ASP A 62 16.939 -10.727 -21.487 1.00 34.14 C ATOM 968 C ASP A 62 17.149 -11.160 -22.934 1.00 44.52 C ATOM 969 O ASP A 62 17.004 -10.360 -23.859 1.00 2.43 O ATOM 970 CB ASP A 62 15.851 -11.585 -20.838 1.00 52.13 C ATOM 971 CG ASP A 62 16.273 -12.133 -19.489 1.00 61.35 C ATOM 972 OD1 ASP A 62 17.426 -12.600 -19.373 1.00 55.55 O ATOM 973 OD2 ASP A 62 15.451 -12.097 -18.550 1.00 33.10 O ATOM 0 H ASP A 62 15.656 -9.095 -21.781 1.00 22.21 H new ATOM 0 HA ASP A 62 17.874 -10.868 -20.945 1.00 34.14 H new ATOM 0 HB2 ASP A 62 14.946 -10.989 -20.718 1.00 52.13 H new ATOM 0 HB3 ASP A 62 15.602 -12.413 -21.501 1.00 52.13 H new ATOM 978 N ARG A 63 17.494 -12.429 -23.123 1.00 75.20 N ATOM 979 CA ARG A 63 17.727 -12.967 -24.458 1.00 33.22 C ATOM 980 C ARG A 63 17.202 -14.396 -24.568 1.00 11.24 C ATOM 981 O ARG A 63 17.605 -15.149 -25.453 1.00 31.24 O ATOM 982 CB ARG A 63 19.220 -12.934 -24.791 1.00 15.04 C ATOM 983 CG ARG A 63 20.023 -14.019 -24.093 1.00 62.44 C ATOM 984 CD ARG A 63 21.070 -13.427 -23.163 1.00 41.21 C ATOM 985 NE ARG A 63 21.572 -14.410 -22.207 1.00 12.12 N ATOM 986 CZ ARG A 63 22.501 -15.313 -22.500 1.00 50.30 C ATOM 987 NH1 ARG A 63 23.027 -15.356 -23.716 1.00 61.32 N ATOM 988 NH2 ARG A 63 22.906 -16.174 -21.576 1.00 21.05 N ATOM 0 H ARG A 63 17.618 -13.104 -22.369 1.00 75.20 H new ATOM 0 HA ARG A 63 17.188 -12.344 -25.172 1.00 33.22 H new ATOM 0 HB2 ARG A 63 19.346 -13.037 -25.869 1.00 15.04 H new ATOM 0 HB3 ARG A 63 19.624 -11.960 -24.515 1.00 15.04 H new ATOM 0 HG2 ARG A 63 19.351 -14.661 -23.524 1.00 62.44 H new ATOM 0 HG3 ARG A 63 20.511 -14.648 -24.838 1.00 62.44 H new ATOM 0 HD2 ARG A 63 21.900 -13.038 -23.753 1.00 41.21 H new ATOM 0 HD3 ARG A 63 20.640 -12.583 -22.623 1.00 41.21 H new ATOM 0 HE ARG A 63 21.188 -14.403 -21.262 1.00 12.12 H new ATOM 0 HH11 ARG A 63 22.718 -14.695 -24.429 1.00 61.32 H new ATOM 0 HH12 ARG A 63 23.740 -16.050 -23.939 1.00 61.32 H new ATOM 0 HH21 ARG A 63 22.504 -16.143 -20.639 1.00 21.05 H new ATOM 0 HH22 ARG A 63 23.619 -16.867 -21.802 1.00 21.05 H new ATOM 1002 N ASN A 64 16.301 -14.761 -23.661 1.00 53.14 N ATOM 1003 CA ASN A 64 15.721 -16.099 -23.656 1.00 24.33 C ATOM 1004 C ASN A 64 14.221 -16.041 -23.386 1.00 71.51 C ATOM 1005 O ASN A 64 13.647 -16.966 -22.811 1.00 3.22 O ATOM 1006 CB ASN A 64 16.407 -16.970 -22.601 1.00 3.00 C ATOM 1007 CG ASN A 64 16.028 -16.573 -21.188 1.00 12.55 C ATOM 1008 OD1 ASN A 64 15.081 -17.110 -20.613 1.00 24.35 O ATOM 1009 ND2 ASN A 64 16.767 -15.626 -20.621 1.00 12.13 N ATOM 0 H ASN A 64 15.957 -14.149 -22.921 1.00 53.14 H new ATOM 0 HA ASN A 64 15.878 -16.540 -24.640 1.00 24.33 H new ATOM 0 HB2 ASN A 64 16.140 -18.014 -22.766 1.00 3.00 H new ATOM 0 HB3 ASN A 64 17.488 -16.895 -22.719 1.00 3.00 H new ATOM 0 HD21 ASN A 64 16.559 -15.316 -19.672 1.00 12.13 H new ATOM 0 HD22 ASN A 64 17.543 -15.208 -21.135 1.00 12.13 H new ATOM 1016 N ALA A 65 13.591 -14.949 -23.807 1.00 24.24 N ATOM 1017 CA ALA A 65 12.158 -14.772 -23.613 1.00 54.42 C ATOM 1018 C ALA A 65 11.435 -14.646 -24.950 1.00 53.00 C ATOM 1019 O ALA A 65 11.162 -13.541 -25.417 1.00 54.32 O ATOM 1020 CB ALA A 65 11.889 -13.549 -22.749 1.00 1.41 C ATOM 0 H ALA A 65 14.051 -14.174 -24.285 1.00 24.24 H new ATOM 0 HA ALA A 65 11.774 -15.655 -23.103 1.00 54.42 H new ATOM 0 HB1 ALA A 65 10.814 -13.429 -22.613 1.00 1.41 H new ATOM 0 HB2 ALA A 65 12.366 -13.678 -21.777 1.00 1.41 H new ATOM 0 HB3 ALA A 65 12.294 -12.662 -23.237 1.00 1.41 H new ATOM 1026 N ALA A 66 11.128 -15.786 -25.561 1.00 43.32 N ATOM 1027 CA ALA A 66 10.436 -15.803 -26.844 1.00 10.53 C ATOM 1028 C ALA A 66 8.937 -15.589 -26.661 1.00 41.14 C ATOM 1029 O ALA A 66 8.170 -16.548 -26.570 1.00 15.15 O ATOM 1030 CB ALA A 66 10.700 -17.114 -27.569 1.00 12.03 C ATOM 0 H ALA A 66 11.348 -16.710 -25.188 1.00 43.32 H new ATOM 0 HA ALA A 66 10.823 -14.983 -27.449 1.00 10.53 H new ATOM 0 HB1 ALA A 66 10.177 -17.113 -28.525 1.00 12.03 H new ATOM 0 HB2 ALA A 66 11.771 -17.226 -27.741 1.00 12.03 H new ATOM 0 HB3 ALA A 66 10.342 -17.945 -26.961 1.00 12.03 H new ATOM 1036 N LEU A 67 8.526 -14.327 -26.609 1.00 44.31 N ATOM 1037 CA LEU A 67 7.118 -13.987 -26.437 1.00 2.11 C ATOM 1038 C LEU A 67 6.645 -13.050 -27.543 1.00 52.25 C ATOM 1039 O LEU A 67 7.445 -12.555 -28.338 1.00 30.12 O ATOM 1040 CB LEU A 67 6.894 -13.336 -25.071 1.00 14.00 C ATOM 1041 CG LEU A 67 7.349 -11.882 -24.937 1.00 72.42 C ATOM 1042 CD1 LEU A 67 6.356 -11.087 -24.104 1.00 3.33 C ATOM 1043 CD2 LEU A 67 8.740 -11.813 -24.323 1.00 74.43 C ATOM 0 H LEU A 67 9.148 -13.522 -26.683 1.00 44.31 H new ATOM 0 HA LEU A 67 6.538 -14.908 -26.494 1.00 2.11 H new ATOM 0 HB2 LEU A 67 5.831 -13.386 -24.837 1.00 14.00 H new ATOM 0 HB3 LEU A 67 7.414 -13.929 -24.319 1.00 14.00 H new ATOM 0 HG LEU A 67 7.391 -11.441 -25.933 1.00 72.42 H new ATOM 0 HD11 LEU A 67 6.696 -10.055 -24.019 1.00 3.33 H new ATOM 0 HD12 LEU A 67 5.378 -11.108 -24.585 1.00 3.33 H new ATOM 0 HD13 LEU A 67 6.281 -11.527 -23.110 1.00 3.33 H new ATOM 0 HD21 LEU A 67 9.048 -10.771 -24.235 1.00 74.43 H new ATOM 0 HD22 LEU A 67 8.724 -12.271 -23.334 1.00 74.43 H new ATOM 0 HD23 LEU A 67 9.446 -12.347 -24.959 1.00 74.43 H new ATOM 1055 N LYS A 68 5.339 -12.808 -27.589 1.00 21.14 N ATOM 1056 CA LYS A 68 4.758 -11.928 -28.595 1.00 12.51 C ATOM 1057 C LYS A 68 3.381 -11.437 -28.159 1.00 0.13 C ATOM 1058 O LYS A 68 2.595 -12.193 -27.586 1.00 44.32 O ATOM 1059 CB LYS A 68 4.650 -12.654 -29.937 1.00 62.34 C ATOM 1060 CG LYS A 68 3.783 -13.900 -29.887 1.00 33.02 C ATOM 1061 CD LYS A 68 4.622 -15.159 -29.751 1.00 23.15 C ATOM 1062 CE LYS A 68 3.811 -16.407 -30.064 1.00 12.22 C ATOM 1063 NZ LYS A 68 4.383 -17.618 -29.414 1.00 65.44 N ATOM 0 H LYS A 68 4.663 -13.210 -26.940 1.00 21.14 H new ATOM 0 HA LYS A 68 5.414 -11.065 -28.708 1.00 12.51 H new ATOM 0 HB2 LYS A 68 4.243 -11.968 -30.680 1.00 62.34 H new ATOM 0 HB3 LYS A 68 5.650 -12.930 -30.272 1.00 62.34 H new ATOM 0 HG2 LYS A 68 3.092 -13.830 -29.047 1.00 33.02 H new ATOM 0 HG3 LYS A 68 3.179 -13.960 -30.792 1.00 33.02 H new ATOM 0 HD2 LYS A 68 5.477 -15.102 -30.424 1.00 23.15 H new ATOM 0 HD3 LYS A 68 5.018 -15.226 -28.738 1.00 23.15 H new ATOM 0 HE2 LYS A 68 2.784 -16.266 -29.729 1.00 12.22 H new ATOM 0 HE3 LYS A 68 3.776 -16.556 -31.143 1.00 12.22 H new ATOM 0 HZ1 LYS A 68 3.802 -18.447 -29.652 1.00 65.44 H new ATOM 0 HZ2 LYS A 68 5.355 -17.768 -29.753 1.00 65.44 H new ATOM 0 HZ3 LYS A 68 4.393 -17.486 -28.382 1.00 65.44 H new ATOM 1077 N ILE A 69 3.095 -10.169 -28.434 1.00 3.20 N ATOM 1078 CA ILE A 69 1.812 -9.579 -28.072 1.00 23.41 C ATOM 1079 C ILE A 69 0.734 -10.649 -27.939 1.00 72.22 C ATOM 1080 O ILE A 69 0.410 -11.342 -28.903 1.00 22.43 O ATOM 1081 CB ILE A 69 1.359 -8.536 -29.110 1.00 2.20 C ATOM 1082 CG1 ILE A 69 2.360 -7.380 -29.173 1.00 54.23 C ATOM 1083 CG2 ILE A 69 -0.032 -8.021 -28.771 1.00 70.55 C ATOM 1084 CD1 ILE A 69 2.218 -6.395 -28.033 1.00 64.44 C ATOM 0 H ILE A 69 3.735 -9.530 -28.906 1.00 3.20 H new ATOM 0 HA ILE A 69 1.951 -9.085 -27.110 1.00 23.41 H new ATOM 0 HB ILE A 69 1.320 -9.013 -30.090 1.00 2.20 H new ATOM 0 HG12 ILE A 69 3.372 -7.785 -29.168 1.00 54.23 H new ATOM 0 HG13 ILE A 69 2.233 -6.851 -30.118 1.00 54.23 H new ATOM 0 HG21 ILE A 69 -0.338 -7.284 -29.514 1.00 70.55 H new ATOM 0 HG22 ILE A 69 -0.738 -8.852 -28.771 1.00 70.55 H new ATOM 0 HG23 ILE A 69 -0.018 -7.557 -27.785 1.00 70.55 H new ATOM 0 HD11 ILE A 69 2.959 -5.603 -28.142 1.00 64.44 H new ATOM 0 HD12 ILE A 69 1.218 -5.961 -28.049 1.00 64.44 H new ATOM 0 HD13 ILE A 69 2.375 -6.910 -27.085 1.00 64.44 H new ATOM 1096 N GLY A 70 0.179 -10.777 -26.738 1.00 12.25 N ATOM 1097 CA GLY A 70 -0.859 -11.763 -26.501 1.00 11.04 C ATOM 1098 C GLY A 70 -0.504 -12.720 -25.380 1.00 73.32 C ATOM 1099 O GLY A 70 -1.378 -13.386 -24.823 1.00 43.14 O ATOM 0 H GLY A 70 0.430 -10.215 -25.924 1.00 12.25 H new ATOM 0 HA2 GLY A 70 -1.791 -11.253 -26.258 1.00 11.04 H new ATOM 0 HA3 GLY A 70 -1.034 -12.329 -27.416 1.00 11.04 H new ATOM 1103 N ASP A 71 0.780 -12.792 -25.050 1.00 3.53 N ATOM 1104 CA ASP A 71 1.249 -13.675 -23.989 1.00 20.34 C ATOM 1105 C ASP A 71 0.945 -13.085 -22.615 1.00 54.34 C ATOM 1106 O ASP A 71 0.321 -12.029 -22.506 1.00 0.31 O ATOM 1107 CB ASP A 71 2.752 -13.924 -24.129 1.00 53.40 C ATOM 1108 CG ASP A 71 3.060 -15.262 -24.772 1.00 53.51 C ATOM 1109 OD1 ASP A 71 2.105 -15.996 -25.099 1.00 55.04 O ATOM 1110 OD2 ASP A 71 4.256 -15.575 -24.947 1.00 42.43 O ATOM 0 H ASP A 71 1.516 -12.249 -25.502 1.00 3.53 H new ATOM 0 HA ASP A 71 0.721 -14.624 -24.082 1.00 20.34 H new ATOM 0 HB2 ASP A 71 3.195 -13.127 -24.726 1.00 53.40 H new ATOM 0 HB3 ASP A 71 3.218 -13.882 -23.144 1.00 53.40 H new ATOM 1115 N LYS A 72 1.388 -13.774 -21.569 1.00 50.53 N ATOM 1116 CA LYS A 72 1.164 -13.318 -20.202 1.00 70.43 C ATOM 1117 C LYS A 72 2.362 -13.646 -19.317 1.00 11.14 C ATOM 1118 O LYS A 72 3.187 -14.493 -19.661 1.00 51.40 O ATOM 1119 CB LYS A 72 -0.099 -13.964 -19.629 1.00 15.14 C ATOM 1120 CG LYS A 72 -1.318 -13.057 -19.669 1.00 64.51 C ATOM 1121 CD LYS A 72 -2.506 -13.749 -20.315 1.00 34.53 C ATOM 1122 CE LYS A 72 -2.427 -13.694 -21.833 1.00 24.24 C ATOM 1123 NZ LYS A 72 -2.998 -14.916 -22.463 1.00 22.51 N ATOM 0 H LYS A 72 1.904 -14.651 -21.642 1.00 50.53 H new ATOM 0 HA LYS A 72 1.035 -12.236 -20.222 1.00 70.43 H new ATOM 0 HB2 LYS A 72 -0.316 -14.875 -20.187 1.00 15.14 H new ATOM 0 HB3 LYS A 72 0.090 -14.259 -18.597 1.00 15.14 H new ATOM 0 HG2 LYS A 72 -1.580 -12.753 -18.656 1.00 64.51 H new ATOM 0 HG3 LYS A 72 -1.079 -12.149 -20.223 1.00 64.51 H new ATOM 0 HD2 LYS A 72 -2.544 -14.789 -19.989 1.00 34.53 H new ATOM 0 HD3 LYS A 72 -3.429 -13.276 -19.981 1.00 34.53 H new ATOM 0 HE2 LYS A 72 -2.963 -12.816 -22.193 1.00 24.24 H new ATOM 0 HE3 LYS A 72 -1.387 -13.580 -22.139 1.00 24.24 H new ATOM 0 HZ1 LYS A 72 -2.925 -14.840 -23.498 1.00 22.51 H new ATOM 0 HZ2 LYS A 72 -2.471 -15.752 -22.140 1.00 22.51 H new ATOM 0 HZ3 LYS A 72 -3.998 -15.011 -22.192 1.00 22.51 H new ATOM 1137 N ILE A 73 2.450 -12.971 -18.175 1.00 71.42 N ATOM 1138 CA ILE A 73 3.546 -13.193 -17.240 1.00 34.41 C ATOM 1139 C ILE A 73 3.046 -13.199 -15.799 1.00 51.32 C ATOM 1140 O ILE A 73 2.117 -12.470 -15.451 1.00 12.13 O ATOM 1141 CB ILE A 73 4.639 -12.119 -17.388 1.00 51.03 C ATOM 1142 CG1 ILE A 73 5.265 -12.187 -18.783 1.00 4.04 C ATOM 1143 CG2 ILE A 73 5.703 -12.294 -16.315 1.00 14.23 C ATOM 1144 CD1 ILE A 73 6.040 -10.943 -19.159 1.00 15.15 C ATOM 0 H ILE A 73 1.776 -12.267 -17.876 1.00 71.42 H new ATOM 0 HA ILE A 73 3.972 -14.168 -17.479 1.00 34.41 H new ATOM 0 HB ILE A 73 4.183 -11.137 -17.262 1.00 51.03 H new ATOM 0 HG12 ILE A 73 5.931 -13.049 -18.832 1.00 4.04 H new ATOM 0 HG13 ILE A 73 4.477 -12.351 -19.518 1.00 4.04 H new ATOM 0 HG21 ILE A 73 6.469 -11.527 -16.433 1.00 14.23 H new ATOM 0 HG22 ILE A 73 5.245 -12.201 -15.330 1.00 14.23 H new ATOM 0 HG23 ILE A 73 6.159 -13.279 -16.412 1.00 14.23 H new ATOM 0 HD11 ILE A 73 6.455 -11.062 -20.160 1.00 15.15 H new ATOM 0 HD12 ILE A 73 5.374 -10.080 -19.143 1.00 15.15 H new ATOM 0 HD13 ILE A 73 6.850 -10.789 -18.446 1.00 15.15 H new ATOM 1156 N TYR A 74 3.670 -14.024 -14.966 1.00 13.33 N ATOM 1157 CA TYR A 74 3.288 -14.124 -13.562 1.00 23.40 C ATOM 1158 C TYR A 74 4.506 -14.400 -12.685 1.00 10.40 C ATOM 1159 O TYR A 74 5.002 -15.525 -12.626 1.00 34.11 O ATOM 1160 CB TYR A 74 2.249 -15.230 -13.372 1.00 71.54 C ATOM 1161 CG TYR A 74 1.296 -15.372 -14.538 1.00 12.14 C ATOM 1162 CD1 TYR A 74 1.639 -16.123 -15.655 1.00 5.12 C ATOM 1163 CD2 TYR A 74 0.051 -14.755 -14.521 1.00 33.24 C ATOM 1164 CE1 TYR A 74 0.772 -16.254 -16.722 1.00 20.02 C ATOM 1165 CE2 TYR A 74 -0.824 -14.882 -15.583 1.00 22.14 C ATOM 1166 CZ TYR A 74 -0.458 -15.632 -16.681 1.00 34.11 C ATOM 1167 OH TYR A 74 -1.326 -15.761 -17.741 1.00 61.52 O ATOM 0 H TYR A 74 4.442 -14.633 -15.238 1.00 13.33 H new ATOM 0 HA TYR A 74 2.854 -13.171 -13.261 1.00 23.40 H new ATOM 0 HB2 TYR A 74 2.764 -16.178 -13.217 1.00 71.54 H new ATOM 0 HB3 TYR A 74 1.676 -15.027 -12.467 1.00 71.54 H new ATOM 0 HD1 TYR A 74 2.601 -16.613 -15.690 1.00 5.12 H new ATOM 0 HD2 TYR A 74 -0.238 -14.166 -13.663 1.00 33.24 H new ATOM 0 HE1 TYR A 74 1.056 -16.840 -17.584 1.00 20.02 H new ATOM 0 HE2 TYR A 74 -1.788 -14.397 -15.553 1.00 22.14 H new ATOM 0 HH TYR A 74 -2.149 -15.263 -17.553 1.00 61.52 H new ATOM 1177 N PHE A 75 4.983 -13.363 -12.004 1.00 41.23 N ATOM 1178 CA PHE A 75 6.143 -13.491 -11.130 1.00 10.12 C ATOM 1179 C PHE A 75 6.220 -12.321 -10.153 1.00 54.12 C ATOM 1180 O PHE A 75 5.216 -11.664 -9.875 1.00 63.12 O ATOM 1181 CB PHE A 75 7.427 -13.563 -11.958 1.00 63.32 C ATOM 1182 CG PHE A 75 7.886 -12.228 -12.471 1.00 23.14 C ATOM 1183 CD1 PHE A 75 7.007 -11.385 -13.131 1.00 70.33 C ATOM 1184 CD2 PHE A 75 9.197 -11.816 -12.291 1.00 53.53 C ATOM 1185 CE1 PHE A 75 7.427 -10.157 -13.604 1.00 40.44 C ATOM 1186 CE2 PHE A 75 9.622 -10.588 -12.762 1.00 5.41 C ATOM 1187 CZ PHE A 75 8.736 -9.757 -13.418 1.00 50.34 C ATOM 0 H PHE A 75 4.584 -12.425 -12.041 1.00 41.23 H new ATOM 0 HA PHE A 75 6.035 -14.413 -10.558 1.00 10.12 H new ATOM 0 HB2 PHE A 75 8.218 -14.001 -11.349 1.00 63.32 H new ATOM 0 HB3 PHE A 75 7.268 -14.233 -12.803 1.00 63.32 H new ATOM 0 HD1 PHE A 75 5.982 -11.691 -13.277 1.00 70.33 H new ATOM 0 HD2 PHE A 75 9.894 -12.461 -11.777 1.00 53.53 H new ATOM 0 HE1 PHE A 75 6.732 -9.510 -14.119 1.00 40.44 H new ATOM 0 HE2 PHE A 75 10.647 -10.279 -12.617 1.00 5.41 H new ATOM 0 HZ PHE A 75 9.066 -8.796 -13.785 1.00 50.34 H new ATOM 1197 N TRP A 76 7.416 -12.067 -9.636 1.00 63.43 N ATOM 1198 CA TRP A 76 7.625 -10.977 -8.690 1.00 74.20 C ATOM 1199 C TRP A 76 9.046 -10.434 -8.790 1.00 13.12 C ATOM 1200 O TRP A 76 9.883 -10.983 -9.507 1.00 53.23 O ATOM 1201 CB TRP A 76 7.346 -11.453 -7.263 1.00 42.22 C ATOM 1202 CG TRP A 76 7.959 -12.784 -6.951 1.00 23.25 C ATOM 1203 CD1 TRP A 76 7.642 -13.986 -7.516 1.00 53.13 C ATOM 1204 CD2 TRP A 76 8.994 -13.048 -5.997 1.00 31.52 C ATOM 1205 NE1 TRP A 76 8.417 -14.981 -6.972 1.00 34.43 N ATOM 1206 CE2 TRP A 76 9.255 -14.432 -6.038 1.00 32.21 C ATOM 1207 CE3 TRP A 76 9.727 -12.251 -5.114 1.00 12.01 C ATOM 1208 CZ2 TRP A 76 10.216 -15.032 -5.229 1.00 31.51 C ATOM 1209 CZ3 TRP A 76 10.680 -12.848 -4.311 1.00 61.34 C ATOM 1210 CH2 TRP A 76 10.918 -14.228 -4.374 1.00 4.33 C ATOM 0 H TRP A 76 8.257 -12.601 -9.856 1.00 63.43 H new ATOM 0 HA TRP A 76 6.932 -10.174 -8.940 1.00 74.20 H new ATOM 0 HB2 TRP A 76 7.726 -10.712 -6.560 1.00 42.22 H new ATOM 0 HB3 TRP A 76 6.268 -11.513 -7.112 1.00 42.22 H new ATOM 0 HD1 TRP A 76 6.892 -14.133 -8.279 1.00 53.13 H new ATOM 0 HE1 TRP A 76 8.375 -15.969 -7.223 1.00 34.43 H new ATOM 0 HE3 TRP A 76 9.552 -11.187 -5.060 1.00 12.01 H new ATOM 0 HZ2 TRP A 76 10.401 -16.095 -5.275 1.00 31.51 H new ATOM 0 HZ3 TRP A 76 11.251 -12.241 -3.624 1.00 61.34 H new ATOM 0 HH2 TRP A 76 11.671 -14.665 -3.735 1.00 4.33 H new ATOM 1221 N THR A 77 9.313 -9.352 -8.065 1.00 44.44 N ATOM 1222 CA THR A 77 10.633 -8.734 -8.073 1.00 43.24 C ATOM 1223 C THR A 77 11.003 -8.208 -6.691 1.00 54.11 C ATOM 1224 O THR A 77 10.132 -7.968 -5.854 1.00 40.43 O ATOM 1225 CB THR A 77 10.705 -7.576 -9.087 1.00 4.02 C ATOM 1226 OG1 THR A 77 9.531 -6.763 -8.986 1.00 50.12 O ATOM 1227 CG2 THR A 77 10.841 -8.107 -10.506 1.00 51.40 C ATOM 0 H THR A 77 8.633 -8.886 -7.465 1.00 44.44 H new ATOM 0 HA THR A 77 11.342 -9.508 -8.365 1.00 43.24 H new ATOM 0 HB THR A 77 11.584 -6.974 -8.856 1.00 4.02 H new ATOM 0 HG1 THR A 77 9.585 -6.028 -9.632 1.00 50.12 H new ATOM 0 HG21 THR A 77 10.890 -7.271 -11.204 1.00 51.40 H new ATOM 0 HG22 THR A 77 11.751 -8.701 -10.587 1.00 51.40 H new ATOM 0 HG23 THR A 77 9.979 -8.730 -10.746 1.00 51.40 H new ATOM 1235 N PHE A 78 12.299 -8.030 -6.458 1.00 33.44 N ATOM 1236 CA PHE A 78 12.783 -7.533 -5.175 1.00 43.44 C ATOM 1237 C PHE A 78 13.511 -6.202 -5.348 1.00 73.41 C ATOM 1238 O PHE A 78 14.191 -5.979 -6.350 1.00 21.44 O ATOM 1239 CB PHE A 78 13.717 -8.557 -4.527 1.00 12.24 C ATOM 1240 CG PHE A 78 13.276 -8.987 -3.157 1.00 13.43 C ATOM 1241 CD1 PHE A 78 12.252 -9.908 -3.001 1.00 43.51 C ATOM 1242 CD2 PHE A 78 13.884 -8.469 -2.024 1.00 62.25 C ATOM 1243 CE1 PHE A 78 11.844 -10.306 -1.742 1.00 1.51 C ATOM 1244 CE2 PHE A 78 13.481 -8.864 -0.763 1.00 14.31 C ATOM 1245 CZ PHE A 78 12.459 -9.782 -0.621 1.00 54.04 C ATOM 0 H PHE A 78 13.033 -8.222 -7.140 1.00 33.44 H new ATOM 0 HA PHE A 78 11.922 -7.375 -4.526 1.00 43.44 H new ATOM 0 HB2 PHE A 78 13.784 -9.434 -5.171 1.00 12.24 H new ATOM 0 HB3 PHE A 78 14.719 -8.133 -4.461 1.00 12.24 H new ATOM 0 HD1 PHE A 78 11.767 -10.320 -3.874 1.00 43.51 H new ATOM 0 HD2 PHE A 78 14.682 -7.748 -2.128 1.00 62.25 H new ATOM 0 HE1 PHE A 78 11.046 -11.025 -1.634 1.00 1.51 H new ATOM 0 HE2 PHE A 78 13.965 -8.455 0.112 1.00 14.31 H new ATOM 0 HZ PHE A 78 12.141 -10.090 0.364 1.00 54.04 H new ATOM 1255 N VAL A 79 13.361 -5.321 -4.364 1.00 43.04 N ATOM 1256 CA VAL A 79 14.004 -4.013 -4.406 1.00 54.30 C ATOM 1257 C VAL A 79 14.459 -3.580 -3.017 1.00 43.21 C ATOM 1258 O VAL A 79 14.106 -4.202 -2.015 1.00 31.00 O ATOM 1259 CB VAL A 79 13.058 -2.941 -4.981 1.00 62.43 C ATOM 1260 CG1 VAL A 79 13.256 -2.806 -6.483 1.00 51.43 C ATOM 1261 CG2 VAL A 79 11.611 -3.277 -4.654 1.00 21.21 C ATOM 0 H VAL A 79 12.800 -5.489 -3.529 1.00 43.04 H new ATOM 0 HA VAL A 79 14.873 -4.108 -5.057 1.00 54.30 H new ATOM 0 HB VAL A 79 13.298 -1.983 -4.519 1.00 62.43 H new ATOM 0 HG11 VAL A 79 12.580 -2.045 -6.872 1.00 51.43 H new ATOM 0 HG12 VAL A 79 14.286 -2.516 -6.690 1.00 51.43 H new ATOM 0 HG13 VAL A 79 13.044 -3.760 -6.965 1.00 51.43 H new ATOM 0 HG21 VAL A 79 10.957 -2.509 -5.068 1.00 21.21 H new ATOM 0 HG22 VAL A 79 11.355 -4.244 -5.087 1.00 21.21 H new ATOM 0 HG23 VAL A 79 11.483 -3.319 -3.572 1.00 21.21 H new ATOM 1271 N ILE A 80 15.245 -2.510 -2.965 1.00 40.42 N ATOM 1272 CA ILE A 80 15.748 -1.992 -1.699 1.00 32.45 C ATOM 1273 C ILE A 80 15.906 -0.477 -1.748 1.00 1.52 C ATOM 1274 O ILE A 80 16.921 0.038 -2.217 1.00 43.24 O ATOM 1275 CB ILE A 80 17.102 -2.627 -1.329 1.00 14.11 C ATOM 1276 CG1 ILE A 80 16.949 -4.139 -1.153 1.00 25.24 C ATOM 1277 CG2 ILE A 80 17.655 -1.993 -0.061 1.00 71.42 C ATOM 1278 CD1 ILE A 80 18.243 -4.839 -0.797 1.00 74.25 C ATOM 0 H ILE A 80 15.547 -1.985 -3.785 1.00 40.42 H new ATOM 0 HA ILE A 80 15.013 -2.253 -0.937 1.00 32.45 H new ATOM 0 HB ILE A 80 17.807 -2.444 -2.140 1.00 14.11 H new ATOM 0 HG12 ILE A 80 16.213 -4.333 -0.373 1.00 25.24 H new ATOM 0 HG13 ILE A 80 16.556 -4.566 -2.075 1.00 25.24 H new ATOM 0 HG21 ILE A 80 18.612 -2.452 0.188 1.00 71.42 H new ATOM 0 HG22 ILE A 80 17.796 -0.924 -0.220 1.00 71.42 H new ATOM 0 HG23 ILE A 80 16.954 -2.148 0.759 1.00 71.42 H new ATOM 0 HD11 ILE A 80 18.060 -5.908 -0.688 1.00 74.25 H new ATOM 0 HD12 ILE A 80 18.975 -4.675 -1.588 1.00 74.25 H new ATOM 0 HD13 ILE A 80 18.627 -4.439 0.141 1.00 74.25 H new ATOM 1290 N LYS A 81 14.896 0.234 -1.258 1.00 41.51 N ATOM 1291 CA LYS A 81 14.923 1.692 -1.242 1.00 53.24 C ATOM 1292 C LYS A 81 14.948 2.221 0.188 1.00 32.42 C ATOM 1293 O LYS A 81 14.276 1.685 1.070 1.00 73.03 O ATOM 1294 CB LYS A 81 13.707 2.253 -1.983 1.00 53.02 C ATOM 1295 CG LYS A 81 13.500 3.743 -1.773 1.00 44.12 C ATOM 1296 CD LYS A 81 12.172 4.032 -1.095 1.00 55.04 C ATOM 1297 CE LYS A 81 11.710 5.457 -1.359 1.00 14.00 C ATOM 1298 NZ LYS A 81 11.250 6.131 -0.113 1.00 24.32 N ATOM 0 H LYS A 81 14.048 -0.176 -0.866 1.00 41.51 H new ATOM 0 HA LYS A 81 15.832 2.019 -1.747 1.00 53.24 H new ATOM 0 HB2 LYS A 81 13.820 2.057 -3.049 1.00 53.02 H new ATOM 0 HB3 LYS A 81 12.814 1.721 -1.654 1.00 53.02 H new ATOM 0 HG2 LYS A 81 14.313 4.142 -1.167 1.00 44.12 H new ATOM 0 HG3 LYS A 81 13.538 4.255 -2.734 1.00 44.12 H new ATOM 0 HD2 LYS A 81 11.418 3.331 -1.455 1.00 55.04 H new ATOM 0 HD3 LYS A 81 12.268 3.873 -0.021 1.00 55.04 H new ATOM 0 HE2 LYS A 81 12.527 6.028 -1.800 1.00 14.00 H new ATOM 0 HE3 LYS A 81 10.899 5.447 -2.087 1.00 14.00 H new ATOM 0 HZ1 LYS A 81 10.943 7.100 -0.335 1.00 24.32 H new ATOM 0 HZ2 LYS A 81 10.454 5.601 0.295 1.00 24.32 H new ATOM 0 HZ3 LYS A 81 12.031 6.164 0.573 1.00 24.32 H new ATOM 1312 N ASP A 82 15.725 3.274 0.411 1.00 4.32 N ATOM 1313 CA ASP A 82 15.836 3.877 1.735 1.00 73.23 C ATOM 1314 C ASP A 82 16.140 2.818 2.790 1.00 14.01 C ATOM 1315 O ASP A 82 15.797 2.978 3.961 1.00 63.11 O ATOM 1316 CB ASP A 82 14.545 4.615 2.092 1.00 75.32 C ATOM 1317 CG ASP A 82 14.753 6.110 2.235 1.00 33.41 C ATOM 1318 OD1 ASP A 82 15.283 6.729 1.289 1.00 70.43 O ATOM 1319 OD2 ASP A 82 14.385 6.661 3.293 1.00 34.44 O ATOM 0 H ASP A 82 16.288 3.729 -0.308 1.00 4.32 H new ATOM 0 HA ASP A 82 16.660 4.591 1.715 1.00 73.23 H new ATOM 0 HB2 ASP A 82 13.798 4.427 1.321 1.00 75.32 H new ATOM 0 HB3 ASP A 82 14.148 4.216 3.025 1.00 75.32 H new ATOM 1324 N GLY A 83 16.784 1.735 2.366 1.00 23.04 N ATOM 1325 CA GLY A 83 17.122 0.665 3.287 1.00 42.30 C ATOM 1326 C GLY A 83 15.898 0.050 3.936 1.00 40.15 C ATOM 1327 O GLY A 83 15.965 -0.445 5.061 1.00 2.05 O ATOM 0 H GLY A 83 17.078 1.579 1.402 1.00 23.04 H new ATOM 0 HA2 GLY A 83 17.674 -0.109 2.753 1.00 42.30 H new ATOM 0 HA3 GLY A 83 17.784 1.052 4.061 1.00 42.30 H new ATOM 1331 N LEU A 84 14.776 0.082 3.226 1.00 74.23 N ATOM 1332 CA LEU A 84 13.529 -0.476 3.740 1.00 43.34 C ATOM 1333 C LEU A 84 13.284 -1.872 3.176 1.00 41.31 C ATOM 1334 O LEU A 84 12.998 -2.810 3.918 1.00 63.51 O ATOM 1335 CB LEU A 84 12.355 0.441 3.391 1.00 65.01 C ATOM 1336 CG LEU A 84 11.981 1.483 4.446 1.00 61.22 C ATOM 1337 CD1 LEU A 84 11.376 2.714 3.789 1.00 65.00 C ATOM 1338 CD2 LEU A 84 11.016 0.890 5.462 1.00 71.21 C ATOM 0 H LEU A 84 14.703 0.488 2.293 1.00 74.23 H new ATOM 0 HA LEU A 84 13.613 -0.552 4.824 1.00 43.34 H new ATOM 0 HB2 LEU A 84 12.590 0.961 2.462 1.00 65.01 H new ATOM 0 HB3 LEU A 84 11.480 -0.180 3.196 1.00 65.01 H new ATOM 0 HG LEU A 84 12.888 1.785 4.969 1.00 61.22 H new ATOM 0 HD11 LEU A 84 11.116 3.445 4.555 1.00 65.00 H new ATOM 0 HD12 LEU A 84 12.099 3.152 3.101 1.00 65.00 H new ATOM 0 HD13 LEU A 84 10.479 2.429 3.240 1.00 65.00 H new ATOM 0 HD21 LEU A 84 10.761 1.645 6.205 1.00 71.21 H new ATOM 0 HD22 LEU A 84 10.110 0.560 4.954 1.00 71.21 H new ATOM 0 HD23 LEU A 84 11.485 0.039 5.956 1.00 71.21 H new ATOM 1350 N GLY A 85 13.400 -2.001 1.858 1.00 71.04 N ATOM 1351 CA GLY A 85 13.190 -3.286 1.217 1.00 74.10 C ATOM 1352 C GLY A 85 11.748 -3.497 0.799 1.00 12.41 C ATOM 1353 O GLY A 85 10.827 -3.276 1.587 1.00 64.32 O ATOM 0 H GLY A 85 13.636 -1.239 1.223 1.00 71.04 H new ATOM 0 HA2 GLY A 85 13.834 -3.361 0.341 1.00 74.10 H new ATOM 0 HA3 GLY A 85 13.487 -4.082 1.900 1.00 74.10 H new ATOM 1357 N TYR A 86 11.550 -3.922 -0.443 1.00 71.44 N ATOM 1358 CA TYR A 86 10.209 -4.159 -0.966 1.00 44.50 C ATOM 1359 C TYR A 86 10.201 -5.341 -1.930 1.00 41.34 C ATOM 1360 O TYR A 86 11.233 -5.968 -2.170 1.00 31.12 O ATOM 1361 CB TYR A 86 9.687 -2.906 -1.672 1.00 74.41 C ATOM 1362 CG TYR A 86 9.572 -1.703 -0.764 1.00 53.33 C ATOM 1363 CD1 TYR A 86 10.684 -0.925 -0.465 1.00 31.42 C ATOM 1364 CD2 TYR A 86 8.352 -1.343 -0.205 1.00 73.32 C ATOM 1365 CE1 TYR A 86 10.584 0.175 0.365 1.00 60.13 C ATOM 1366 CE2 TYR A 86 8.242 -0.244 0.624 1.00 2.01 C ATOM 1367 CZ TYR A 86 9.361 0.512 0.906 1.00 20.32 C ATOM 1368 OH TYR A 86 9.256 1.607 1.733 1.00 23.30 O ATOM 0 H TYR A 86 12.301 -4.110 -1.107 1.00 71.44 H new ATOM 0 HA TYR A 86 9.555 -4.395 -0.127 1.00 44.50 H new ATOM 0 HB2 TYR A 86 10.352 -2.663 -2.501 1.00 74.41 H new ATOM 0 HB3 TYR A 86 8.708 -3.122 -2.101 1.00 74.41 H new ATOM 0 HD1 TYR A 86 11.643 -1.185 -0.889 1.00 31.42 H new ATOM 0 HD2 TYR A 86 7.474 -1.933 -0.423 1.00 73.32 H new ATOM 0 HE1 TYR A 86 11.459 0.768 0.589 1.00 60.13 H new ATOM 0 HE2 TYR A 86 7.286 0.022 1.049 1.00 2.01 H new ATOM 0 HH TYR A 86 8.327 1.706 2.028 1.00 23.30 H new ATOM 1378 N ARG A 87 9.029 -5.638 -2.481 1.00 72.14 N ATOM 1379 CA ARG A 87 8.884 -6.745 -3.419 1.00 43.35 C ATOM 1380 C ARG A 87 7.492 -6.750 -4.044 1.00 1.20 C ATOM 1381 O ARG A 87 6.488 -6.617 -3.345 1.00 21.11 O ATOM 1382 CB ARG A 87 9.143 -8.077 -2.713 1.00 41.13 C ATOM 1383 CG ARG A 87 8.457 -9.261 -3.376 1.00 4.42 C ATOM 1384 CD ARG A 87 7.226 -9.697 -2.598 1.00 75.34 C ATOM 1385 NE ARG A 87 7.559 -10.139 -1.247 1.00 63.51 N ATOM 1386 CZ ARG A 87 6.666 -10.620 -0.390 1.00 20.25 C ATOM 1387 NH1 ARG A 87 5.392 -10.721 -0.741 1.00 54.43 N ATOM 1388 NH2 ARG A 87 7.047 -11.002 0.823 1.00 61.12 N ATOM 0 H ARG A 87 8.166 -5.128 -2.294 1.00 72.14 H new ATOM 0 HA ARG A 87 9.619 -6.614 -4.213 1.00 43.35 H new ATOM 0 HB2 ARG A 87 10.217 -8.260 -2.683 1.00 41.13 H new ATOM 0 HB3 ARG A 87 8.804 -8.003 -1.680 1.00 41.13 H new ATOM 0 HG2 ARG A 87 8.171 -8.994 -4.393 1.00 4.42 H new ATOM 0 HG3 ARG A 87 9.156 -10.094 -3.450 1.00 4.42 H new ATOM 0 HD2 ARG A 87 6.519 -8.869 -2.544 1.00 75.34 H new ATOM 0 HD3 ARG A 87 6.728 -10.507 -3.132 1.00 75.34 H new ATOM 0 HE ARG A 87 8.531 -10.075 -0.945 1.00 63.51 H new ATOM 0 HH11 ARG A 87 5.095 -10.429 -1.672 1.00 54.43 H new ATOM 0 HH12 ARG A 87 4.709 -11.091 -0.080 1.00 54.43 H new ATOM 0 HH21 ARG A 87 8.026 -10.926 1.097 1.00 61.12 H new ATOM 0 HH22 ARG A 87 6.360 -11.371 1.481 1.00 61.12 H new ATOM 1402 N GLN A 88 7.441 -6.903 -5.363 1.00 65.42 N ATOM 1403 CA GLN A 88 6.173 -6.924 -6.081 1.00 75.32 C ATOM 1404 C GLN A 88 5.493 -8.283 -5.946 1.00 12.13 C ATOM 1405 O GLN A 88 6.151 -9.297 -5.716 1.00 65.30 O ATOM 1406 CB GLN A 88 6.393 -6.596 -7.559 1.00 20.21 C ATOM 1407 CG GLN A 88 5.195 -5.934 -8.220 1.00 61.24 C ATOM 1408 CD GLN A 88 5.135 -4.442 -7.959 1.00 70.04 C ATOM 1409 OE1 GLN A 88 5.691 -3.949 -6.978 1.00 3.12 O ATOM 1410 NE2 GLN A 88 4.458 -3.714 -8.839 1.00 53.33 N ATOM 0 H GLN A 88 8.263 -7.014 -5.956 1.00 65.42 H new ATOM 0 HA GLN A 88 5.524 -6.167 -5.641 1.00 75.32 H new ATOM 0 HB2 GLN A 88 7.258 -5.939 -7.652 1.00 20.21 H new ATOM 0 HB3 GLN A 88 6.632 -7.515 -8.095 1.00 20.21 H new ATOM 0 HG2 GLN A 88 5.235 -6.110 -9.295 1.00 61.24 H new ATOM 0 HG3 GLN A 88 4.280 -6.400 -7.855 1.00 61.24 H new ATOM 0 HE21 GLN A 88 4.012 -4.164 -9.638 1.00 53.33 H new ATOM 0 HE22 GLN A 88 4.384 -2.704 -8.716 1.00 53.33 H new ATOM 1419 N ASP A 89 4.172 -8.295 -6.089 1.00 42.21 N ATOM 1420 CA ASP A 89 3.403 -9.529 -5.983 1.00 72.24 C ATOM 1421 C ASP A 89 2.270 -9.553 -7.005 1.00 1.40 C ATOM 1422 O ASP A 89 2.271 -8.783 -7.964 1.00 53.35 O ATOM 1423 CB ASP A 89 2.836 -9.683 -4.571 1.00 51.42 C ATOM 1424 CG ASP A 89 1.396 -9.220 -4.472 1.00 75.12 C ATOM 1425 OD1 ASP A 89 1.088 -8.122 -4.983 1.00 30.42 O ATOM 1426 OD2 ASP A 89 0.576 -9.956 -3.885 1.00 34.12 O ATOM 0 H ASP A 89 3.612 -7.464 -6.279 1.00 42.21 H new ATOM 0 HA ASP A 89 4.073 -10.364 -6.190 1.00 72.24 H new ATOM 0 HB2 ASP A 89 2.900 -10.728 -4.269 1.00 51.42 H new ATOM 0 HB3 ASP A 89 3.447 -9.111 -3.873 1.00 51.42 H new ATOM 1431 N ASN A 90 1.306 -10.442 -6.792 1.00 21.33 N ATOM 1432 CA ASN A 90 0.168 -10.567 -7.695 1.00 71.30 C ATOM 1433 C ASN A 90 0.519 -11.442 -8.895 1.00 21.13 C ATOM 1434 O ASN A 90 -0.310 -12.210 -9.380 1.00 54.13 O ATOM 1435 CB ASN A 90 -0.285 -9.186 -8.172 1.00 52.01 C ATOM 1436 CG ASN A 90 -1.790 -9.095 -8.335 1.00 33.44 C ATOM 1437 OD1 ASN A 90 -2.329 -9.390 -9.401 1.00 75.14 O ATOM 1438 ND2 ASN A 90 -2.476 -8.686 -7.274 1.00 11.13 N ATOM 0 H ASN A 90 1.290 -11.087 -6.002 1.00 21.33 H new ATOM 0 HA ASN A 90 -0.647 -11.041 -7.148 1.00 71.30 H new ATOM 0 HB2 ASN A 90 0.047 -8.432 -7.459 1.00 52.01 H new ATOM 0 HB3 ASN A 90 0.195 -8.958 -9.124 1.00 52.01 H new ATOM 0 HD21 ASN A 90 -3.492 -8.606 -7.323 1.00 11.13 H new ATOM 0 HD22 ASN A 90 -1.987 -8.452 -6.410 1.00 11.13 H new ATOM 1445 N GLY A 91 1.756 -11.320 -9.368 1.00 12.03 N ATOM 1446 CA GLY A 91 2.196 -12.105 -10.506 1.00 35.40 C ATOM 1447 C GLY A 91 1.146 -12.183 -11.597 1.00 41.10 C ATOM 1448 O GLY A 91 0.453 -13.191 -11.729 1.00 13.22 O ATOM 0 H GLY A 91 2.461 -10.691 -8.983 1.00 12.03 H new ATOM 0 HA2 GLY A 91 3.108 -11.669 -10.914 1.00 35.40 H new ATOM 0 HA3 GLY A 91 2.446 -13.113 -10.174 1.00 35.40 H new ATOM 1452 N GLU A 92 1.028 -11.115 -12.380 1.00 4.11 N ATOM 1453 CA GLU A 92 0.054 -11.066 -13.463 1.00 74.42 C ATOM 1454 C GLU A 92 0.281 -9.842 -14.345 1.00 61.34 C ATOM 1455 O GLU A 92 0.025 -8.711 -13.933 1.00 60.02 O ATOM 1456 CB GLU A 92 -1.368 -11.045 -12.899 1.00 15.22 C ATOM 1457 CG GLU A 92 -2.447 -10.992 -13.968 1.00 21.41 C ATOM 1458 CD GLU A 92 -3.543 -9.996 -13.643 1.00 22.02 C ATOM 1459 OE1 GLU A 92 -3.859 -9.831 -12.446 1.00 52.43 O ATOM 1460 OE2 GLU A 92 -4.084 -9.381 -14.586 1.00 24.31 O ATOM 0 H GLU A 92 1.595 -10.273 -12.284 1.00 4.11 H new ATOM 0 HA GLU A 92 0.182 -11.960 -14.073 1.00 74.42 H new ATOM 0 HB2 GLU A 92 -1.520 -11.933 -12.286 1.00 15.22 H new ATOM 0 HB3 GLU A 92 -1.477 -10.182 -12.242 1.00 15.22 H new ATOM 0 HG2 GLU A 92 -1.994 -10.728 -14.924 1.00 21.41 H new ATOM 0 HG3 GLU A 92 -2.885 -11.983 -14.086 1.00 21.41 H new ATOM 1467 N TRP A 93 0.764 -10.078 -15.560 1.00 52.30 N ATOM 1468 CA TRP A 93 1.027 -8.995 -16.501 1.00 13.41 C ATOM 1469 C TRP A 93 0.879 -9.476 -17.940 1.00 51.20 C ATOM 1470 O TRP A 93 1.667 -10.294 -18.416 1.00 53.13 O ATOM 1471 CB TRP A 93 2.431 -8.430 -16.281 1.00 11.35 C ATOM 1472 CG TRP A 93 2.578 -7.694 -14.983 1.00 64.01 C ATOM 1473 CD1 TRP A 93 2.143 -6.430 -14.703 1.00 73.34 C ATOM 1474 CD2 TRP A 93 3.207 -8.177 -13.791 1.00 33.13 C ATOM 1475 NE1 TRP A 93 2.462 -6.099 -13.409 1.00 3.32 N ATOM 1476 CE2 TRP A 93 3.115 -7.153 -12.827 1.00 74.53 C ATOM 1477 CE3 TRP A 93 3.836 -9.375 -13.442 1.00 62.13 C ATOM 1478 CZ2 TRP A 93 3.630 -7.293 -11.541 1.00 73.54 C ATOM 1479 CZ3 TRP A 93 4.347 -9.512 -12.166 1.00 22.32 C ATOM 1480 CH2 TRP A 93 4.241 -8.477 -11.228 1.00 10.14 C ATOM 0 H TRP A 93 0.981 -11.009 -15.916 1.00 52.30 H new ATOM 0 HA TRP A 93 0.294 -8.208 -16.324 1.00 13.41 H new ATOM 0 HB2 TRP A 93 3.152 -9.247 -16.311 1.00 11.35 H new ATOM 0 HB3 TRP A 93 2.677 -7.757 -17.102 1.00 11.35 H new ATOM 0 HD1 TRP A 93 1.624 -5.785 -15.397 1.00 73.34 H new ATOM 0 HE1 TRP A 93 2.247 -5.211 -12.955 1.00 3.32 H new ATOM 0 HE3 TRP A 93 3.921 -10.180 -14.157 1.00 62.13 H new ATOM 0 HZ2 TRP A 93 3.550 -6.496 -10.817 1.00 73.54 H new ATOM 0 HZ3 TRP A 93 4.837 -10.433 -11.887 1.00 22.32 H new ATOM 0 HH2 TRP A 93 4.650 -8.616 -10.238 1.00 10.14 H new ATOM 1491 N THR A 94 -0.135 -8.963 -18.630 1.00 34.21 N ATOM 1492 CA THR A 94 -0.387 -9.342 -20.015 1.00 4.33 C ATOM 1493 C THR A 94 0.417 -8.473 -20.976 1.00 73.43 C ATOM 1494 O THR A 94 0.413 -7.247 -20.872 1.00 4.24 O ATOM 1495 CB THR A 94 -1.882 -9.228 -20.366 1.00 31.33 C ATOM 1496 OG1 THR A 94 -2.666 -9.952 -19.411 1.00 23.24 O ATOM 1497 CG2 THR A 94 -2.152 -9.766 -21.763 1.00 33.11 C ATOM 0 H THR A 94 -0.795 -8.284 -18.252 1.00 34.21 H new ATOM 0 HA THR A 94 -0.076 -10.381 -20.121 1.00 4.33 H new ATOM 0 HB THR A 94 -2.160 -8.174 -20.339 1.00 31.33 H new ATOM 0 HG1 THR A 94 -3.616 -9.873 -19.640 1.00 23.24 H new ATOM 0 HG21 THR A 94 -3.214 -9.675 -21.989 1.00 33.11 H new ATOM 0 HG22 THR A 94 -1.576 -9.194 -22.491 1.00 33.11 H new ATOM 0 HG23 THR A 94 -1.859 -10.815 -21.812 1.00 33.11 H new ATOM 1505 N VAL A 95 1.104 -9.117 -21.914 1.00 63.23 N ATOM 1506 CA VAL A 95 1.911 -8.403 -22.896 1.00 62.14 C ATOM 1507 C VAL A 95 1.044 -7.506 -23.772 1.00 50.23 C ATOM 1508 O VAL A 95 0.191 -7.987 -24.518 1.00 25.13 O ATOM 1509 CB VAL A 95 2.694 -9.378 -23.796 1.00 33.32 C ATOM 1510 CG1 VAL A 95 3.683 -8.622 -24.670 1.00 31.33 C ATOM 1511 CG2 VAL A 95 3.406 -10.425 -22.953 1.00 22.04 C ATOM 0 H VAL A 95 1.118 -10.132 -22.014 1.00 63.23 H new ATOM 0 HA VAL A 95 2.617 -7.789 -22.338 1.00 62.14 H new ATOM 0 HB VAL A 95 1.987 -9.890 -24.449 1.00 33.32 H new ATOM 0 HG11 VAL A 95 4.226 -9.328 -25.298 1.00 31.33 H new ATOM 0 HG12 VAL A 95 3.145 -7.914 -25.301 1.00 31.33 H new ATOM 0 HG13 VAL A 95 4.388 -8.081 -24.038 1.00 31.33 H new ATOM 0 HG21 VAL A 95 3.954 -11.105 -23.605 1.00 22.04 H new ATOM 0 HG22 VAL A 95 4.102 -9.933 -22.274 1.00 22.04 H new ATOM 0 HG23 VAL A 95 2.672 -10.988 -22.376 1.00 22.04 H new ATOM 1521 N GLU A 96 1.269 -6.199 -23.677 1.00 35.04 N ATOM 1522 CA GLU A 96 0.507 -5.234 -24.461 1.00 35.33 C ATOM 1523 C GLU A 96 1.430 -4.199 -25.096 1.00 41.11 C ATOM 1524 O GLU A 96 0.981 -3.152 -25.559 1.00 51.54 O ATOM 1525 CB GLU A 96 -0.532 -4.536 -23.581 1.00 53.41 C ATOM 1526 CG GLU A 96 -1.583 -5.476 -23.016 1.00 20.42 C ATOM 1527 CD GLU A 96 -2.995 -5.064 -23.385 1.00 3.33 C ATOM 1528 OE1 GLU A 96 -3.227 -4.738 -24.568 1.00 1.02 O ATOM 1529 OE2 GLU A 96 -3.867 -5.066 -22.491 1.00 62.11 O ATOM 0 H GLU A 96 1.972 -5.785 -23.065 1.00 35.04 H new ATOM 0 HA GLU A 96 -0.006 -5.774 -25.257 1.00 35.33 H new ATOM 0 HB2 GLU A 96 -0.022 -4.038 -22.757 1.00 53.41 H new ATOM 0 HB3 GLU A 96 -1.027 -3.760 -24.165 1.00 53.41 H new ATOM 0 HG2 GLU A 96 -1.396 -6.486 -23.382 1.00 20.42 H new ATOM 0 HG3 GLU A 96 -1.490 -5.508 -21.930 1.00 20.42 H new ATOM 1536 N GLY A 97 2.725 -4.501 -25.113 1.00 40.41 N ATOM 1537 CA GLY A 97 3.692 -3.587 -25.693 1.00 0.24 C ATOM 1538 C GLY A 97 4.625 -4.273 -26.670 1.00 62.41 C ATOM 1539 O GLY A 97 4.492 -5.469 -26.931 1.00 23.31 O ATOM 0 H GLY A 97 3.121 -5.362 -24.736 1.00 40.41 H new ATOM 0 HA2 GLY A 97 3.165 -2.781 -26.204 1.00 0.24 H new ATOM 0 HA3 GLY A 97 4.278 -3.129 -24.896 1.00 0.24 H new ATOM 1543 N PHE A 98 5.572 -3.516 -27.214 1.00 13.41 N ATOM 1544 CA PHE A 98 6.529 -4.058 -28.171 1.00 4.23 C ATOM 1545 C PHE A 98 7.828 -3.257 -28.154 1.00 1.24 C ATOM 1546 O PHE A 98 7.843 -2.085 -27.776 1.00 23.22 O ATOM 1547 CB PHE A 98 5.933 -4.054 -29.580 1.00 10.53 C ATOM 1548 CG PHE A 98 6.044 -5.377 -30.281 1.00 54.25 C ATOM 1549 CD1 PHE A 98 5.382 -6.492 -29.794 1.00 20.23 C ATOM 1550 CD2 PHE A 98 6.810 -5.506 -31.429 1.00 12.52 C ATOM 1551 CE1 PHE A 98 5.481 -7.711 -30.437 1.00 64.43 C ATOM 1552 CE2 PHE A 98 6.913 -6.722 -32.077 1.00 15.11 C ATOM 1553 CZ PHE A 98 6.249 -7.826 -31.580 1.00 34.42 C ATOM 0 H PHE A 98 5.697 -2.525 -27.008 1.00 13.41 H new ATOM 0 HA PHE A 98 6.752 -5.085 -27.882 1.00 4.23 H new ATOM 0 HB2 PHE A 98 4.882 -3.770 -29.521 1.00 10.53 H new ATOM 0 HB3 PHE A 98 6.436 -3.293 -30.176 1.00 10.53 H new ATOM 0 HD1 PHE A 98 4.781 -6.408 -28.901 1.00 20.23 H new ATOM 0 HD2 PHE A 98 7.332 -4.646 -31.822 1.00 12.52 H new ATOM 0 HE1 PHE A 98 4.959 -8.572 -30.047 1.00 64.43 H new ATOM 0 HE2 PHE A 98 7.512 -6.809 -32.971 1.00 15.11 H new ATOM 0 HZ PHE A 98 6.330 -8.778 -32.084 1.00 34.42 H new ATOM 1563 N VAL A 99 8.917 -3.898 -28.565 1.00 64.10 N ATOM 1564 CA VAL A 99 10.221 -3.247 -28.598 1.00 4.30 C ATOM 1565 C VAL A 99 11.225 -4.067 -29.400 1.00 43.13 C ATOM 1566 O VAL A 99 10.968 -5.222 -29.740 1.00 42.13 O ATOM 1567 CB VAL A 99 10.774 -3.026 -27.177 1.00 43.45 C ATOM 1568 CG1 VAL A 99 10.654 -1.562 -26.779 1.00 62.53 C ATOM 1569 CG2 VAL A 99 10.052 -3.919 -26.180 1.00 65.12 C ATOM 0 H VAL A 99 8.922 -4.868 -28.880 1.00 64.10 H new ATOM 0 HA VAL A 99 10.079 -2.280 -29.080 1.00 4.30 H new ATOM 0 HB VAL A 99 11.831 -3.294 -27.171 1.00 43.45 H new ATOM 0 HG11 VAL A 99 11.049 -1.425 -25.773 1.00 62.53 H new ATOM 0 HG12 VAL A 99 11.221 -0.947 -27.478 1.00 62.53 H new ATOM 0 HG13 VAL A 99 9.606 -1.264 -26.801 1.00 62.53 H new ATOM 0 HG21 VAL A 99 10.455 -3.750 -25.182 1.00 65.12 H new ATOM 0 HG22 VAL A 99 8.988 -3.685 -26.186 1.00 65.12 H new ATOM 0 HG23 VAL A 99 10.195 -4.963 -26.457 1.00 65.12 H new ATOM 1579 N ASP A 100 12.370 -3.463 -29.699 1.00 52.44 N ATOM 1580 CA ASP A 100 13.415 -4.137 -30.461 1.00 35.41 C ATOM 1581 C ASP A 100 14.785 -3.898 -29.834 1.00 54.55 C ATOM 1582 O ASP A 100 15.126 -2.770 -29.480 1.00 43.34 O ATOM 1583 CB ASP A 100 13.411 -3.653 -31.912 1.00 24.13 C ATOM 1584 CG ASP A 100 12.023 -3.657 -32.520 1.00 51.13 C ATOM 1585 OD1 ASP A 100 11.097 -3.103 -31.891 1.00 21.55 O ATOM 1586 OD2 ASP A 100 11.862 -4.212 -33.627 1.00 22.51 O ATOM 0 H ASP A 100 12.598 -2.507 -29.425 1.00 52.44 H new ATOM 0 HA ASP A 100 13.210 -5.207 -30.444 1.00 35.41 H new ATOM 0 HB2 ASP A 100 13.821 -2.644 -31.956 1.00 24.13 H new ATOM 0 HB3 ASP A 100 14.066 -4.290 -32.506 1.00 24.13 H new ATOM 1591 N GLU A 101 15.564 -4.966 -29.700 1.00 73.33 N ATOM 1592 CA GLU A 101 16.896 -4.871 -29.114 1.00 73.15 C ATOM 1593 C GLU A 101 17.927 -4.478 -30.169 1.00 32.05 C ATOM 1594 O GLU A 101 19.046 -4.990 -30.178 1.00 50.53 O ATOM 1595 CB GLU A 101 17.290 -6.202 -28.471 1.00 2.13 C ATOM 1596 CG GLU A 101 18.555 -6.121 -27.633 1.00 23.41 C ATOM 1597 CD GLU A 101 19.467 -7.316 -27.837 1.00 2.41 C ATOM 1598 OE1 GLU A 101 19.195 -8.378 -27.239 1.00 41.12 O ATOM 1599 OE2 GLU A 101 20.452 -7.188 -28.593 1.00 63.25 O ATOM 0 H GLU A 101 15.296 -5.907 -29.989 1.00 73.33 H new ATOM 0 HA GLU A 101 16.874 -4.097 -28.346 1.00 73.15 H new ATOM 0 HB2 GLU A 101 16.470 -6.550 -27.843 1.00 2.13 H new ATOM 0 HB3 GLU A 101 17.430 -6.947 -29.254 1.00 2.13 H new ATOM 0 HG2 GLU A 101 19.096 -5.209 -27.885 1.00 23.41 H new ATOM 0 HG3 GLU A 101 18.285 -6.051 -26.579 1.00 23.41 H new ATOM 1606 N ALA A 102 17.540 -3.566 -31.055 1.00 22.41 N ATOM 1607 CA ALA A 102 18.430 -3.103 -32.112 1.00 62.22 C ATOM 1608 C ALA A 102 17.978 -1.753 -32.658 1.00 62.12 C ATOM 1609 O ALA A 102 18.748 -0.792 -32.678 1.00 13.53 O ATOM 1610 CB ALA A 102 18.499 -4.131 -33.232 1.00 23.12 C ATOM 0 H ALA A 102 16.616 -3.133 -31.062 1.00 22.41 H new ATOM 0 HA ALA A 102 19.426 -2.978 -31.686 1.00 62.22 H new ATOM 0 HB1 ALA A 102 19.167 -3.772 -34.015 1.00 23.12 H new ATOM 0 HB2 ALA A 102 18.876 -5.074 -32.837 1.00 23.12 H new ATOM 0 HB3 ALA A 102 17.503 -4.284 -33.647 1.00 23.12 H new TER 1616 ALA A 102