USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 SER OG : rot -160:sc= 0.582 USER MOD Set 1.2: A 8 GLN : amide:sc= 0.337 K(o=0.92,f=-7.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -14:sc= 1.07 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -80:sc= 1.12 USER MOD Single : A 30 SER OG : rot 27:sc= 1.02 USER MOD Single : A 35 SER OG : rot 88:sc= 1.21 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 143:sc= -0.116 (180deg=-0.374) USER MOD Single : A 43 MET CE :methyl -158:sc= -0.162 (180deg=-1.04) USER MOD Single : A 44 SER OG : rot 49:sc= 0.0767 USER MOD Single : B 1 MET CE :methyl 162:sc= -0.118 (180deg=-0.567) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 SER OG : rot 180:sc= -0.0136 USER MOD Single : B 8 GLN : amide:sc= 2.12 K(o=2.1,f=-7.6!) USER MOD Single : B 22 THR OG1 : rot 180:sc=-0.000931 USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.316) USER MOD Single : B 27 SER OG : rot -78:sc= 1.11 USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 35 SER OG : rot 70:sc= 0.625 USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 MET CE :methyl 154:sc= -0.0422 (180deg=-0.668) USER MOD Single : B 44 SER OG : rot -103:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N MET B 1 0.848 -19.762 -7.891 1.00 7.77 N ATOM 2 CA MET B 1 0.312 -19.922 -6.521 1.00 7.06 C ATOM 3 C MET B 1 0.963 -21.111 -5.838 1.00 6.64 C ATOM 4 O MET B 1 0.943 -22.224 -6.362 1.00 7.05 O ATOM 5 CB MET B 1 -1.206 -20.111 -6.568 1.00 7.36 C ATOM 6 CG MET B 1 -1.836 -20.376 -5.211 1.00 7.37 C ATOM 7 SD MET B 1 -3.633 -20.511 -5.293 1.00 7.32 S ATOM 8 CE MET B 1 -3.834 -21.907 -6.400 1.00 8.01 C ATOM 0 H1 MET B 1 0.395 -18.945 -8.348 1.00 7.77 H new ATOM 0 H2 MET B 1 1.875 -19.607 -7.846 1.00 7.77 H new ATOM 0 H3 MET B 1 0.651 -20.621 -8.443 1.00 7.77 H new ATOM 0 HA MET B 1 0.538 -19.022 -5.950 1.00 7.06 H new ATOM 0 HB2 MET B 1 -1.660 -19.219 -7.000 1.00 7.36 H new ATOM 0 HB3 MET B 1 -1.438 -20.942 -7.234 1.00 7.36 H new ATOM 0 HG2 MET B 1 -1.425 -21.297 -4.798 1.00 7.37 H new ATOM 0 HG3 MET B 1 -1.567 -19.571 -4.527 1.00 7.37 H new ATOM 0 HE1 MET B 1 -4.842 -22.309 -6.300 1.00 8.01 H new ATOM 0 HE2 MET B 1 -3.674 -21.582 -7.428 1.00 8.01 H new ATOM 0 HE3 MET B 1 -3.109 -22.680 -6.146 1.00 8.01 H new ATOM 18 N GLY B 2 1.537 -20.877 -4.670 1.00 6.08 N ATOM 19 CA GLY B 2 2.189 -21.947 -3.951 1.00 5.90 C ATOM 20 C GLY B 2 3.145 -21.432 -2.899 1.00 5.47 C ATOM 21 O GLY B 2 4.255 -21.002 -3.216 1.00 5.93 O ATOM 0 H GLY B 2 1.563 -19.968 -4.208 1.00 6.08 H new ATOM 0 HA2 GLY B 2 1.435 -22.576 -3.477 1.00 5.90 H new ATOM 0 HA3 GLY B 2 2.732 -22.577 -4.655 1.00 5.90 H new ATOM 25 N GLY B 3 2.703 -21.452 -1.651 1.00 4.80 N ATOM 26 CA GLY B 3 3.536 -20.994 -0.557 1.00 4.56 C ATOM 27 C GLY B 3 3.522 -19.486 -0.388 1.00 3.81 C ATOM 28 O GLY B 3 4.290 -18.944 0.403 1.00 4.08 O ATOM 0 H GLY B 3 1.777 -21.779 -1.374 1.00 4.80 H new ATOM 0 HA2 GLY B 3 3.198 -21.460 0.369 1.00 4.56 H new ATOM 0 HA3 GLY B 3 4.561 -21.325 -0.725 1.00 4.56 H new ATOM 32 N ILE B 4 2.646 -18.805 -1.117 1.00 3.11 N ATOM 33 CA ILE B 4 2.559 -17.354 -1.035 1.00 2.52 C ATOM 34 C ILE B 4 1.604 -16.941 0.074 1.00 1.74 C ATOM 35 O ILE B 4 0.410 -17.239 0.022 1.00 1.73 O ATOM 36 CB ILE B 4 2.095 -16.728 -2.368 1.00 2.66 C ATOM 37 CG1 ILE B 4 3.045 -17.110 -3.502 1.00 3.57 C ATOM 38 CG2 ILE B 4 2.008 -15.210 -2.244 1.00 2.83 C ATOM 39 CD1 ILE B 4 2.602 -16.593 -4.853 1.00 4.20 C ATOM 0 H ILE B 4 1.989 -19.233 -1.769 1.00 3.11 H new ATOM 0 HA ILE B 4 3.561 -16.985 -0.815 1.00 2.52 H new ATOM 0 HB ILE B 4 1.104 -17.117 -2.600 1.00 2.66 H new ATOM 0 HG12 ILE B 4 4.039 -16.722 -3.280 1.00 3.57 H new ATOM 0 HG13 ILE B 4 3.129 -18.196 -3.546 1.00 3.57 H new ATOM 0 HG21 ILE B 4 1.680 -14.786 -3.193 1.00 2.83 H new ATOM 0 HG22 ILE B 4 1.294 -14.949 -1.463 1.00 2.83 H new ATOM 0 HG23 ILE B 4 2.989 -14.809 -1.987 1.00 2.83 H new ATOM 0 HD11 ILE B 4 3.320 -16.899 -5.613 1.00 4.20 H new ATOM 0 HD12 ILE B 4 1.621 -17.002 -5.095 1.00 4.20 H new ATOM 0 HD13 ILE B 4 2.545 -15.505 -4.825 1.00 4.20 H new ATOM 51 N SER B 5 2.134 -16.266 1.079 1.00 1.48 N ATOM 52 CA SER B 5 1.330 -15.817 2.199 1.00 1.06 C ATOM 53 C SER B 5 1.840 -14.472 2.705 1.00 0.87 C ATOM 54 O SER B 5 2.750 -13.885 2.117 1.00 0.82 O ATOM 55 CB SER B 5 1.361 -16.866 3.315 1.00 1.65 C ATOM 56 OG SER B 5 1.007 -18.147 2.815 1.00 2.22 O ATOM 0 H SER B 5 3.121 -16.017 1.141 1.00 1.48 H new ATOM 0 HA SER B 5 0.298 -15.689 1.872 1.00 1.06 H new ATOM 0 HB2 SER B 5 2.357 -16.905 3.755 1.00 1.65 H new ATOM 0 HB3 SER B 5 0.673 -16.578 4.110 1.00 1.65 H new ATOM 0 HG SER B 5 1.035 -18.802 3.544 1.00 2.22 H new ATOM 62 N ILE B 6 1.252 -13.989 3.789 1.00 0.84 N ATOM 63 CA ILE B 6 1.648 -12.716 4.384 1.00 0.73 C ATOM 64 C ILE B 6 3.046 -12.828 5.002 1.00 0.65 C ATOM 65 O ILE B 6 3.726 -11.826 5.223 1.00 0.58 O ATOM 66 CB ILE B 6 0.624 -12.278 5.463 1.00 0.78 C ATOM 67 CG1 ILE B 6 -0.781 -12.172 4.850 1.00 0.90 C ATOM 68 CG2 ILE B 6 1.022 -10.960 6.116 1.00 0.74 C ATOM 69 CD1 ILE B 6 -0.930 -11.068 3.819 1.00 0.92 C ATOM 0 H ILE B 6 0.493 -14.462 4.280 1.00 0.84 H new ATOM 0 HA ILE B 6 1.670 -11.962 3.597 1.00 0.73 H new ATOM 0 HB ILE B 6 0.616 -13.040 6.242 1.00 0.78 H new ATOM 0 HG12 ILE B 6 -1.035 -13.125 4.385 1.00 0.90 H new ATOM 0 HG13 ILE B 6 -1.502 -12.006 5.650 1.00 0.90 H new ATOM 0 HG21 ILE B 6 0.280 -10.687 6.866 1.00 0.74 H new ATOM 0 HG22 ILE B 6 1.996 -11.070 6.593 1.00 0.74 H new ATOM 0 HG23 ILE B 6 1.075 -10.179 5.357 1.00 0.74 H new ATOM 0 HD11 ILE B 6 -1.951 -11.062 3.437 1.00 0.92 H new ATOM 0 HD12 ILE B 6 -0.711 -10.106 4.282 1.00 0.92 H new ATOM 0 HD13 ILE B 6 -0.236 -11.242 2.997 1.00 0.92 H new ATOM 81 N TRP B 7 3.462 -14.065 5.250 1.00 0.70 N ATOM 82 CA TRP B 7 4.764 -14.373 5.842 1.00 0.69 C ATOM 83 C TRP B 7 5.916 -13.634 5.157 1.00 0.57 C ATOM 84 O TRP B 7 6.564 -12.785 5.768 1.00 0.50 O ATOM 85 CB TRP B 7 5.012 -15.883 5.772 1.00 0.80 C ATOM 86 CG TRP B 7 5.385 -16.482 7.090 1.00 0.75 C ATOM 87 CD1 TRP B 7 4.542 -17.033 8.006 1.00 0.81 C ATOM 88 CD2 TRP B 7 6.702 -16.590 7.639 1.00 0.80 C ATOM 89 NE1 TRP B 7 5.251 -17.471 9.095 1.00 0.86 N ATOM 90 CE2 TRP B 7 6.582 -17.211 8.894 1.00 0.85 C ATOM 91 CE3 TRP B 7 7.969 -16.218 7.193 1.00 0.96 C ATOM 92 CZ2 TRP B 7 7.683 -17.474 9.707 1.00 1.00 C ATOM 93 CZ3 TRP B 7 9.062 -16.476 7.999 1.00 1.14 C ATOM 94 CH2 TRP B 7 8.913 -17.098 9.244 1.00 1.14 C ATOM 0 H TRP B 7 2.901 -14.892 5.045 1.00 0.70 H new ATOM 0 HA TRP B 7 4.736 -14.036 6.878 1.00 0.69 H new ATOM 0 HB2 TRP B 7 4.114 -16.375 5.398 1.00 0.80 H new ATOM 0 HB3 TRP B 7 5.807 -16.081 5.053 1.00 0.80 H new ATOM 0 HD1 TRP B 7 3.471 -17.113 7.892 1.00 0.81 H new ATOM 0 HE1 TRP B 7 4.853 -17.918 9.921 1.00 0.86 H new ATOM 0 HE3 TRP B 7 8.095 -15.737 6.234 1.00 0.96 H new ATOM 0 HZ2 TRP B 7 7.569 -17.957 10.666 1.00 1.00 H new ATOM 0 HZ3 TRP B 7 10.048 -16.193 7.662 1.00 1.14 H new ATOM 0 HH2 TRP B 7 9.787 -17.285 9.851 1.00 1.14 H new ATOM 105 N GLN B 8 6.157 -13.950 3.886 1.00 0.58 N ATOM 106 CA GLN B 8 7.244 -13.329 3.128 1.00 0.51 C ATOM 107 C GLN B 8 7.027 -11.832 2.980 1.00 0.41 C ATOM 108 O GLN B 8 7.969 -11.041 3.048 1.00 0.38 O ATOM 109 CB GLN B 8 7.360 -13.956 1.739 1.00 0.58 C ATOM 110 CG GLN B 8 7.547 -15.462 1.757 1.00 0.83 C ATOM 111 CD GLN B 8 6.254 -16.215 1.522 1.00 1.13 C ATOM 112 OE1 GLN B 8 5.195 -15.845 2.030 1.00 1.57 O ATOM 113 NE2 GLN B 8 6.331 -17.257 0.720 1.00 1.28 N ATOM 0 H GLN B 8 5.614 -14.633 3.358 1.00 0.58 H new ATOM 0 HA GLN B 8 8.166 -13.500 3.684 1.00 0.51 H new ATOM 0 HB2 GLN B 8 6.463 -13.718 1.168 1.00 0.58 H new ATOM 0 HB3 GLN B 8 8.201 -13.502 1.215 1.00 0.58 H new ATOM 0 HG2 GLN B 8 8.271 -15.743 0.992 1.00 0.83 H new ATOM 0 HG3 GLN B 8 7.967 -15.760 2.718 1.00 0.83 H new ATOM 0 HE21 GLN B 8 7.230 -17.528 0.321 1.00 1.28 H new ATOM 0 HE22 GLN B 8 5.492 -17.793 0.498 1.00 1.28 H new ATOM 122 N LEU B 9 5.776 -11.457 2.786 1.00 0.43 N ATOM 123 CA LEU B 9 5.408 -10.060 2.616 1.00 0.41 C ATOM 124 C LEU B 9 5.796 -9.235 3.839 1.00 0.37 C ATOM 125 O LEU B 9 6.242 -8.097 3.711 1.00 0.37 O ATOM 126 CB LEU B 9 3.901 -9.947 2.362 1.00 0.52 C ATOM 127 CG LEU B 9 3.468 -9.893 0.890 1.00 0.54 C ATOM 128 CD1 LEU B 9 3.480 -8.460 0.388 1.00 0.61 C ATOM 129 CD2 LEU B 9 4.358 -10.776 0.010 1.00 0.59 C ATOM 0 H LEU B 9 4.990 -12.106 2.742 1.00 0.43 H new ATOM 0 HA LEU B 9 5.951 -9.666 1.757 1.00 0.41 H new ATOM 0 HB2 LEU B 9 3.409 -10.797 2.834 1.00 0.52 H new ATOM 0 HB3 LEU B 9 3.535 -9.050 2.861 1.00 0.52 H new ATOM 0 HG LEU B 9 2.451 -10.281 0.827 1.00 0.54 H new ATOM 0 HD11 LEU B 9 3.171 -8.438 -0.657 1.00 0.61 H new ATOM 0 HD12 LEU B 9 2.791 -7.860 0.983 1.00 0.61 H new ATOM 0 HD13 LEU B 9 4.487 -8.052 0.477 1.00 0.61 H new ATOM 0 HD21 LEU B 9 4.023 -10.713 -1.025 1.00 0.59 H new ATOM 0 HD22 LEU B 9 5.391 -10.434 0.078 1.00 0.59 H new ATOM 0 HD23 LEU B 9 4.295 -11.810 0.350 1.00 0.59 H new ATOM 141 N LEU B 10 5.632 -9.820 5.019 1.00 0.39 N ATOM 142 CA LEU B 10 5.961 -9.144 6.265 1.00 0.38 C ATOM 143 C LEU B 10 7.464 -8.914 6.389 1.00 0.35 C ATOM 144 O LEU B 10 7.900 -7.818 6.725 1.00 0.34 O ATOM 145 CB LEU B 10 5.470 -9.961 7.466 1.00 0.39 C ATOM 146 CG LEU B 10 4.391 -9.292 8.328 1.00 0.43 C ATOM 147 CD1 LEU B 10 4.208 -10.056 9.630 1.00 0.49 C ATOM 148 CD2 LEU B 10 4.739 -7.836 8.612 1.00 0.42 C ATOM 0 H LEU B 10 5.271 -10.767 5.138 1.00 0.39 H new ATOM 0 HA LEU B 10 5.459 -8.176 6.255 1.00 0.38 H new ATOM 0 HB2 LEU B 10 5.080 -10.911 7.101 1.00 0.39 H new ATOM 0 HB3 LEU B 10 6.326 -10.190 8.101 1.00 0.39 H new ATOM 0 HG LEU B 10 3.454 -9.312 7.772 1.00 0.43 H new ATOM 0 HD11 LEU B 10 3.440 -9.571 10.232 1.00 0.49 H new ATOM 0 HD12 LEU B 10 3.905 -11.080 9.412 1.00 0.49 H new ATOM 0 HD13 LEU B 10 5.148 -10.066 10.181 1.00 0.49 H new ATOM 0 HD21 LEU B 10 3.957 -7.388 9.225 1.00 0.42 H new ATOM 0 HD22 LEU B 10 5.689 -7.786 9.143 1.00 0.42 H new ATOM 0 HD23 LEU B 10 4.820 -7.291 7.671 1.00 0.42 H new ATOM 160 N ILE B 11 8.246 -9.946 6.098 1.00 0.35 N ATOM 161 CA ILE B 11 9.705 -9.876 6.208 1.00 0.35 C ATOM 162 C ILE B 11 10.302 -8.708 5.412 1.00 0.31 C ATOM 163 O ILE B 11 11.042 -7.892 5.965 1.00 0.37 O ATOM 164 CB ILE B 11 10.376 -11.217 5.780 1.00 0.39 C ATOM 165 CG1 ILE B 11 10.514 -12.152 6.986 1.00 0.74 C ATOM 166 CG2 ILE B 11 11.751 -10.990 5.158 1.00 0.46 C ATOM 167 CD1 ILE B 11 9.205 -12.724 7.480 1.00 1.04 C ATOM 0 H ILE B 11 7.895 -10.850 5.781 1.00 0.35 H new ATOM 0 HA ILE B 11 9.919 -9.698 7.262 1.00 0.35 H new ATOM 0 HB ILE B 11 9.732 -11.675 5.029 1.00 0.39 H new ATOM 0 HG12 ILE B 11 11.179 -12.974 6.720 1.00 0.74 H new ATOM 0 HG13 ILE B 11 10.990 -11.607 7.801 1.00 0.74 H new ATOM 0 HG21 ILE B 11 12.184 -11.949 4.874 1.00 0.46 H new ATOM 0 HG22 ILE B 11 11.651 -10.360 4.274 1.00 0.46 H new ATOM 0 HG23 ILE B 11 12.401 -10.498 5.882 1.00 0.46 H new ATOM 0 HD11 ILE B 11 9.392 -13.374 8.335 1.00 1.04 H new ATOM 0 HD12 ILE B 11 8.543 -11.912 7.780 1.00 1.04 H new ATOM 0 HD13 ILE B 11 8.735 -13.299 6.682 1.00 1.04 H new ATOM 179 N ILE B 12 9.965 -8.607 4.129 1.00 0.25 N ATOM 180 CA ILE B 12 10.514 -7.549 3.285 1.00 0.23 C ATOM 181 C ILE B 12 9.942 -6.182 3.650 1.00 0.23 C ATOM 182 O ILE B 12 10.668 -5.185 3.674 1.00 0.21 O ATOM 183 CB ILE B 12 10.266 -7.820 1.782 1.00 0.24 C ATOM 184 CG1 ILE B 12 10.382 -9.309 1.477 1.00 0.27 C ATOM 185 CG2 ILE B 12 11.271 -7.055 0.937 1.00 0.26 C ATOM 186 CD1 ILE B 12 9.900 -9.685 0.095 1.00 0.32 C ATOM 0 H ILE B 12 9.320 -9.239 3.654 1.00 0.25 H new ATOM 0 HA ILE B 12 11.589 -7.544 3.467 1.00 0.23 H new ATOM 0 HB ILE B 12 9.257 -7.485 1.540 1.00 0.24 H new ATOM 0 HG12 ILE B 12 11.423 -9.613 1.584 1.00 0.27 H new ATOM 0 HG13 ILE B 12 9.809 -9.868 2.217 1.00 0.27 H new ATOM 0 HG21 ILE B 12 11.086 -7.254 -0.118 1.00 0.26 H new ATOM 0 HG22 ILE B 12 11.169 -5.987 1.128 1.00 0.26 H new ATOM 0 HG23 ILE B 12 12.281 -7.374 1.195 1.00 0.26 H new ATOM 0 HD11 ILE B 12 10.013 -10.759 -0.050 1.00 0.32 H new ATOM 0 HD12 ILE B 12 8.850 -9.413 -0.010 1.00 0.32 H new ATOM 0 HD13 ILE B 12 10.489 -9.154 -0.653 1.00 0.32 H new ATOM 198 N ALA B 13 8.649 -6.134 3.952 1.00 0.26 N ATOM 199 CA ALA B 13 8.000 -4.878 4.313 1.00 0.28 C ATOM 200 C ALA B 13 8.554 -4.344 5.646 1.00 0.26 C ATOM 201 O ALA B 13 8.706 -3.136 5.824 1.00 0.26 O ATOM 202 CB ALA B 13 6.493 -5.066 4.406 1.00 0.34 C ATOM 0 H ALA B 13 8.032 -6.946 3.954 1.00 0.26 H new ATOM 0 HA ALA B 13 8.213 -4.147 3.533 1.00 0.28 H new ATOM 0 HB1 ALA B 13 6.024 -4.120 4.676 1.00 0.34 H new ATOM 0 HB2 ALA B 13 6.108 -5.400 3.442 1.00 0.34 H new ATOM 0 HB3 ALA B 13 6.266 -5.813 5.166 1.00 0.34 H new ATOM 208 N VAL B 14 8.849 -5.260 6.580 1.00 0.25 N ATOM 209 CA VAL B 14 9.387 -4.893 7.894 1.00 0.25 C ATOM 210 C VAL B 14 10.756 -4.233 7.753 1.00 0.21 C ATOM 211 O VAL B 14 11.034 -3.214 8.389 1.00 0.21 O ATOM 212 CB VAL B 14 9.489 -6.121 8.841 1.00 0.29 C ATOM 213 CG1 VAL B 14 10.538 -5.910 9.926 1.00 0.28 C ATOM 214 CG2 VAL B 14 8.139 -6.412 9.477 1.00 0.36 C ATOM 0 H VAL B 14 8.723 -6.263 6.447 1.00 0.25 H new ATOM 0 HA VAL B 14 8.690 -4.182 8.337 1.00 0.25 H new ATOM 0 HB VAL B 14 9.796 -6.975 8.237 1.00 0.29 H new ATOM 0 HG11 VAL B 14 10.580 -6.790 10.568 1.00 0.28 H new ATOM 0 HG12 VAL B 14 11.512 -5.751 9.464 1.00 0.28 H new ATOM 0 HG13 VAL B 14 10.273 -5.037 10.523 1.00 0.28 H new ATOM 0 HG21 VAL B 14 8.226 -7.275 10.138 1.00 0.36 H new ATOM 0 HG22 VAL B 14 7.814 -5.546 10.053 1.00 0.36 H new ATOM 0 HG23 VAL B 14 7.408 -6.625 8.697 1.00 0.36 H new ATOM 224 N ILE B 15 11.602 -4.819 6.912 1.00 0.19 N ATOM 225 CA ILE B 15 12.936 -4.283 6.673 1.00 0.19 C ATOM 226 C ILE B 15 12.825 -2.878 6.090 1.00 0.18 C ATOM 227 O ILE B 15 13.633 -1.999 6.388 1.00 0.22 O ATOM 228 CB ILE B 15 13.740 -5.192 5.715 1.00 0.20 C ATOM 229 CG1 ILE B 15 13.938 -6.574 6.347 1.00 0.24 C ATOM 230 CG2 ILE B 15 15.086 -4.568 5.369 1.00 0.23 C ATOM 231 CD1 ILE B 15 14.506 -7.607 5.395 1.00 0.28 C ATOM 0 H ILE B 15 11.387 -5.665 6.385 1.00 0.19 H new ATOM 0 HA ILE B 15 13.467 -4.244 7.624 1.00 0.19 H new ATOM 0 HB ILE B 15 13.174 -5.302 4.790 1.00 0.20 H new ATOM 0 HG12 ILE B 15 14.604 -6.479 7.204 1.00 0.24 H new ATOM 0 HG13 ILE B 15 12.980 -6.931 6.726 1.00 0.24 H new ATOM 0 HG21 ILE B 15 15.630 -5.228 4.694 1.00 0.23 H new ATOM 0 HG22 ILE B 15 14.927 -3.605 4.884 1.00 0.23 H new ATOM 0 HG23 ILE B 15 15.665 -4.424 6.281 1.00 0.23 H new ATOM 0 HD11 ILE B 15 14.617 -8.559 5.915 1.00 0.28 H new ATOM 0 HD12 ILE B 15 13.830 -7.733 4.549 1.00 0.28 H new ATOM 0 HD13 ILE B 15 15.480 -7.274 5.035 1.00 0.28 H new ATOM 243 N VAL B 16 11.789 -2.677 5.287 1.00 0.18 N ATOM 244 CA VAL B 16 11.521 -1.394 4.656 1.00 0.21 C ATOM 245 C VAL B 16 11.335 -0.284 5.695 1.00 0.22 C ATOM 246 O VAL B 16 11.797 0.836 5.499 1.00 0.24 O ATOM 247 CB VAL B 16 10.277 -1.500 3.733 1.00 0.24 C ATOM 248 CG1 VAL B 16 9.369 -0.277 3.819 1.00 0.26 C ATOM 249 CG2 VAL B 16 10.720 -1.739 2.300 1.00 0.28 C ATOM 0 H VAL B 16 11.110 -3.402 5.055 1.00 0.18 H new ATOM 0 HA VAL B 16 12.387 -1.129 4.049 1.00 0.21 H new ATOM 0 HB VAL B 16 9.685 -2.347 4.081 1.00 0.24 H new ATOM 0 HG11 VAL B 16 8.517 -0.409 3.152 1.00 0.26 H new ATOM 0 HG12 VAL B 16 9.014 -0.159 4.843 1.00 0.26 H new ATOM 0 HG13 VAL B 16 9.927 0.612 3.524 1.00 0.26 H new ATOM 0 HG21 VAL B 16 9.844 -1.813 1.656 1.00 0.28 H new ATOM 0 HG22 VAL B 16 11.345 -0.909 1.969 1.00 0.28 H new ATOM 0 HG23 VAL B 16 11.290 -2.667 2.245 1.00 0.28 H new ATOM 259 N VAL B 17 10.695 -0.605 6.813 1.00 0.23 N ATOM 260 CA VAL B 17 10.445 0.388 7.857 1.00 0.27 C ATOM 261 C VAL B 17 11.744 1.049 8.335 1.00 0.28 C ATOM 262 O VAL B 17 11.861 2.276 8.331 1.00 0.33 O ATOM 263 CB VAL B 17 9.703 -0.228 9.064 1.00 0.29 C ATOM 264 CG1 VAL B 17 9.214 0.859 10.014 1.00 0.35 C ATOM 265 CG2 VAL B 17 8.540 -1.091 8.594 1.00 0.30 C ATOM 0 H VAL B 17 10.341 -1.538 7.022 1.00 0.23 H new ATOM 0 HA VAL B 17 9.810 1.152 7.409 1.00 0.27 H new ATOM 0 HB VAL B 17 10.405 -0.861 9.606 1.00 0.29 H new ATOM 0 HG11 VAL B 17 8.695 0.400 10.856 1.00 0.35 H new ATOM 0 HG12 VAL B 17 10.066 1.431 10.381 1.00 0.35 H new ATOM 0 HG13 VAL B 17 8.531 1.524 9.485 1.00 0.35 H new ATOM 0 HG21 VAL B 17 8.030 -1.516 9.458 1.00 0.30 H new ATOM 0 HG22 VAL B 17 7.840 -0.480 8.024 1.00 0.30 H new ATOM 0 HG23 VAL B 17 8.916 -1.896 7.963 1.00 0.30 H new ATOM 275 N LEU B 18 12.727 0.235 8.705 1.00 0.29 N ATOM 276 CA LEU B 18 14.006 0.753 9.190 1.00 0.32 C ATOM 277 C LEU B 18 14.867 1.257 8.037 1.00 0.33 C ATOM 278 O LEU B 18 15.685 2.160 8.218 1.00 0.44 O ATOM 279 CB LEU B 18 14.766 -0.321 9.980 1.00 0.32 C ATOM 280 CG LEU B 18 15.050 -1.621 9.223 1.00 0.28 C ATOM 281 CD1 LEU B 18 16.536 -1.955 9.269 1.00 0.33 C ATOM 282 CD2 LEU B 18 14.229 -2.762 9.806 1.00 0.24 C ATOM 0 H LEU B 18 12.665 -0.783 8.679 1.00 0.29 H new ATOM 0 HA LEU B 18 13.791 1.591 9.854 1.00 0.32 H new ATOM 0 HB2 LEU B 18 15.715 0.100 10.311 1.00 0.32 H new ATOM 0 HB3 LEU B 18 14.194 -0.561 10.876 1.00 0.32 H new ATOM 0 HG LEU B 18 14.763 -1.483 8.181 1.00 0.28 H new ATOM 0 HD11 LEU B 18 16.718 -2.882 8.726 1.00 0.33 H new ATOM 0 HD12 LEU B 18 17.105 -1.147 8.809 1.00 0.33 H new ATOM 0 HD13 LEU B 18 16.850 -2.075 10.306 1.00 0.33 H new ATOM 0 HD21 LEU B 18 14.441 -3.680 9.258 1.00 0.24 H new ATOM 0 HD22 LEU B 18 14.489 -2.898 10.856 1.00 0.24 H new ATOM 0 HD23 LEU B 18 13.168 -2.527 9.722 1.00 0.24 H new ATOM 294 N LEU B 19 14.663 0.679 6.856 1.00 0.26 N ATOM 295 CA LEU B 19 15.412 1.048 5.656 1.00 0.28 C ATOM 296 C LEU B 19 15.289 2.546 5.364 1.00 0.31 C ATOM 297 O LEU B 19 16.249 3.189 4.945 1.00 0.35 O ATOM 298 CB LEU B 19 14.900 0.238 4.453 1.00 0.24 C ATOM 299 CG LEU B 19 15.964 -0.200 3.440 1.00 0.25 C ATOM 300 CD1 LEU B 19 15.381 -1.176 2.429 1.00 0.22 C ATOM 301 CD2 LEU B 19 16.533 1.004 2.717 1.00 0.28 C ATOM 0 H LEU B 19 13.975 -0.058 6.703 1.00 0.26 H new ATOM 0 HA LEU B 19 16.464 0.821 5.829 1.00 0.28 H new ATOM 0 HB2 LEU B 19 14.394 -0.652 4.827 1.00 0.24 H new ATOM 0 HB3 LEU B 19 14.152 0.834 3.930 1.00 0.24 H new ATOM 0 HG LEU B 19 16.763 -0.700 3.988 1.00 0.25 H new ATOM 0 HD11 LEU B 19 16.155 -1.472 1.721 1.00 0.22 H new ATOM 0 HD12 LEU B 19 15.008 -2.058 2.949 1.00 0.22 H new ATOM 0 HD13 LEU B 19 14.562 -0.698 1.892 1.00 0.22 H new ATOM 0 HD21 LEU B 19 17.287 0.676 2.001 1.00 0.28 H new ATOM 0 HD22 LEU B 19 15.733 1.523 2.189 1.00 0.28 H new ATOM 0 HD23 LEU B 19 16.989 1.681 3.440 1.00 0.28 H new ATOM 313 N PHE B 20 14.108 3.096 5.608 1.00 0.32 N ATOM 314 CA PHE B 20 13.858 4.508 5.336 1.00 0.37 C ATOM 315 C PHE B 20 13.618 5.291 6.621 1.00 0.40 C ATOM 316 O PHE B 20 13.034 6.375 6.600 1.00 0.59 O ATOM 317 CB PHE B 20 12.673 4.630 4.377 1.00 0.39 C ATOM 318 CG PHE B 20 12.662 3.525 3.363 1.00 0.34 C ATOM 319 CD1 PHE B 20 13.715 3.369 2.477 1.00 0.96 C ATOM 320 CD2 PHE B 20 11.631 2.608 3.333 1.00 1.05 C ATOM 321 CE1 PHE B 20 13.733 2.316 1.589 1.00 0.97 C ATOM 322 CE2 PHE B 20 11.647 1.561 2.436 1.00 1.02 C ATOM 323 CZ PHE B 20 12.706 1.409 1.571 1.00 0.29 C ATOM 0 H PHE B 20 13.310 2.590 5.992 1.00 0.32 H new ATOM 0 HA PHE B 20 14.742 4.942 4.869 1.00 0.37 H new ATOM 0 HB2 PHE B 20 11.743 4.612 4.945 1.00 0.39 H new ATOM 0 HB3 PHE B 20 12.716 5.592 3.866 1.00 0.39 H new ATOM 0 HD1 PHE B 20 14.529 4.079 2.482 1.00 0.96 H new ATOM 0 HD2 PHE B 20 10.803 2.712 4.019 1.00 1.05 H new ATOM 0 HE1 PHE B 20 14.560 2.205 0.904 1.00 0.97 H new ATOM 0 HE2 PHE B 20 10.827 0.859 2.412 1.00 1.02 H new ATOM 0 HZ PHE B 20 12.728 0.579 0.881 1.00 0.29 H new ATOM 333 N GLY B 21 14.056 4.715 7.739 1.00 0.30 N ATOM 334 CA GLY B 21 13.925 5.361 9.038 1.00 0.33 C ATOM 335 C GLY B 21 12.504 5.776 9.388 1.00 0.27 C ATOM 336 O GLY B 21 12.307 6.753 10.106 1.00 0.34 O ATOM 0 H GLY B 21 14.505 3.800 7.768 1.00 0.30 H new ATOM 0 HA2 GLY B 21 14.293 4.682 9.807 1.00 0.33 H new ATOM 0 HA3 GLY B 21 14.565 6.243 9.059 1.00 0.33 H new ATOM 340 N THR B 22 11.518 5.038 8.885 1.00 0.27 N ATOM 341 CA THR B 22 10.105 5.330 9.145 1.00 0.33 C ATOM 342 C THR B 22 9.675 6.689 8.559 1.00 0.42 C ATOM 343 O THR B 22 8.545 7.126 8.757 1.00 0.59 O ATOM 344 CB THR B 22 9.795 5.288 10.662 1.00 0.35 C ATOM 345 OG1 THR B 22 10.607 4.291 11.296 1.00 0.85 O ATOM 346 CG2 THR B 22 8.329 4.971 10.922 1.00 0.74 C ATOM 0 H THR B 22 11.671 4.225 8.289 1.00 0.27 H new ATOM 0 HA THR B 22 9.529 4.552 8.644 1.00 0.33 H new ATOM 0 HB THR B 22 10.016 6.273 11.074 1.00 0.35 H new ATOM 0 HG1 THR B 22 10.409 4.269 12.255 1.00 0.85 H new ATOM 0 HG21 THR B 22 8.146 4.949 11.996 1.00 0.74 H new ATOM 0 HG22 THR B 22 7.704 5.737 10.463 1.00 0.74 H new ATOM 0 HG23 THR B 22 8.085 3.999 10.493 1.00 0.74 H new ATOM 354 N LYS B 23 10.564 7.337 7.807 1.00 0.41 N ATOM 355 CA LYS B 23 10.261 8.634 7.208 1.00 0.58 C ATOM 356 C LYS B 23 9.171 8.497 6.150 1.00 0.73 C ATOM 357 O LYS B 23 8.246 9.307 6.076 1.00 1.13 O ATOM 358 CB LYS B 23 11.521 9.238 6.582 1.00 0.57 C ATOM 359 CG LYS B 23 12.572 9.642 7.607 1.00 0.79 C ATOM 360 CD LYS B 23 13.910 9.964 6.951 1.00 0.96 C ATOM 361 CE LYS B 23 13.800 11.148 6.003 1.00 1.41 C ATOM 362 NZ LYS B 23 15.087 11.433 5.317 1.00 1.89 N ATOM 0 H LYS B 23 11.498 6.985 7.599 1.00 0.41 H new ATOM 0 HA LYS B 23 9.902 9.297 7.995 1.00 0.58 H new ATOM 0 HB2 LYS B 23 11.957 8.516 5.891 1.00 0.57 H new ATOM 0 HB3 LYS B 23 11.242 10.113 5.994 1.00 0.57 H new ATOM 0 HG2 LYS B 23 12.222 10.511 8.163 1.00 0.79 H new ATOM 0 HG3 LYS B 23 12.706 8.835 8.328 1.00 0.79 H new ATOM 0 HD2 LYS B 23 14.650 10.182 7.721 1.00 0.96 H new ATOM 0 HD3 LYS B 23 14.267 9.091 6.404 1.00 0.96 H new ATOM 0 HE2 LYS B 23 13.029 10.946 5.259 1.00 1.41 H new ATOM 0 HE3 LYS B 23 13.483 12.030 6.560 1.00 1.41 H new ATOM 0 HZ1 LYS B 23 14.968 12.247 4.680 1.00 1.89 H new ATOM 0 HZ2 LYS B 23 15.817 11.651 6.025 1.00 1.89 H new ATOM 0 HZ3 LYS B 23 15.378 10.601 4.765 1.00 1.89 H new ATOM 376 N LYS B 24 9.290 7.455 5.339 1.00 0.73 N ATOM 377 CA LYS B 24 8.326 7.184 4.279 1.00 1.03 C ATOM 378 C LYS B 24 6.960 6.857 4.859 1.00 0.71 C ATOM 379 O LYS B 24 5.956 7.482 4.529 1.00 0.55 O ATOM 380 CB LYS B 24 8.805 5.997 3.430 1.00 1.60 C ATOM 381 CG LYS B 24 7.872 5.632 2.282 1.00 2.50 C ATOM 382 CD LYS B 24 6.940 4.476 2.639 1.00 3.67 C ATOM 383 CE LYS B 24 7.677 3.147 2.725 1.00 4.88 C ATOM 384 NZ LYS B 24 6.741 1.999 2.871 1.00 5.98 N ATOM 0 H LYS B 24 10.051 6.778 5.395 1.00 0.73 H new ATOM 0 HA LYS B 24 8.244 8.077 3.660 1.00 1.03 H new ATOM 0 HB2 LYS B 24 9.789 6.230 3.023 1.00 1.60 H new ATOM 0 HB3 LYS B 24 8.925 5.128 4.076 1.00 1.60 H new ATOM 0 HG2 LYS B 24 7.278 6.504 2.008 1.00 2.50 H new ATOM 0 HG3 LYS B 24 8.464 5.362 1.407 1.00 2.50 H new ATOM 0 HD2 LYS B 24 6.456 4.683 3.594 1.00 3.67 H new ATOM 0 HD3 LYS B 24 6.151 4.404 1.891 1.00 3.67 H new ATOM 0 HE2 LYS B 24 8.282 3.010 1.829 1.00 4.88 H new ATOM 0 HE3 LYS B 24 8.362 3.166 3.573 1.00 4.88 H new ATOM 0 HZ1 LYS B 24 7.185 1.261 3.454 1.00 5.98 H new ATOM 0 HZ2 LYS B 24 5.865 2.322 3.329 1.00 5.98 H new ATOM 0 HZ3 LYS B 24 6.518 1.611 1.932 1.00 5.98 H new ATOM 398 N LEU B 25 6.948 5.883 5.744 1.00 0.71 N ATOM 399 CA LEU B 25 5.724 5.404 6.363 1.00 0.62 C ATOM 400 C LEU B 25 5.051 6.480 7.217 1.00 0.44 C ATOM 401 O LEU B 25 3.849 6.415 7.469 1.00 0.56 O ATOM 402 CB LEU B 25 6.036 4.159 7.192 1.00 0.76 C ATOM 403 CG LEU B 25 6.885 3.107 6.462 1.00 0.71 C ATOM 404 CD1 LEU B 25 8.341 3.199 6.890 1.00 0.86 C ATOM 405 CD2 LEU B 25 6.344 1.709 6.724 1.00 0.75 C ATOM 0 H LEU B 25 7.788 5.397 6.058 1.00 0.71 H new ATOM 0 HA LEU B 25 5.015 5.149 5.575 1.00 0.62 H new ATOM 0 HB2 LEU B 25 6.557 4.463 8.100 1.00 0.76 H new ATOM 0 HB3 LEU B 25 5.098 3.699 7.502 1.00 0.76 H new ATOM 0 HG LEU B 25 6.828 3.307 5.392 1.00 0.71 H new ATOM 0 HD11 LEU B 25 8.924 2.445 6.361 1.00 0.86 H new ATOM 0 HD12 LEU B 25 8.728 4.190 6.653 1.00 0.86 H new ATOM 0 HD13 LEU B 25 8.416 3.028 7.964 1.00 0.86 H new ATOM 0 HD21 LEU B 25 6.958 0.977 6.199 1.00 0.75 H new ATOM 0 HD22 LEU B 25 6.370 1.504 7.794 1.00 0.75 H new ATOM 0 HD23 LEU B 25 5.316 1.644 6.367 1.00 0.75 H new ATOM 417 N GLY B 26 5.822 7.472 7.642 1.00 0.42 N ATOM 418 CA GLY B 26 5.271 8.535 8.455 1.00 0.53 C ATOM 419 C GLY B 26 4.593 9.607 7.622 1.00 0.60 C ATOM 420 O GLY B 26 3.722 10.322 8.114 1.00 0.87 O ATOM 0 H GLY B 26 6.818 7.558 7.438 1.00 0.42 H new ATOM 0 HA2 GLY B 26 4.551 8.115 9.158 1.00 0.53 H new ATOM 0 HA3 GLY B 26 6.068 8.987 9.046 1.00 0.53 H new ATOM 424 N SER B 27 4.983 9.720 6.361 1.00 0.53 N ATOM 425 CA SER B 27 4.409 10.728 5.482 1.00 0.58 C ATOM 426 C SER B 27 3.308 10.142 4.587 1.00 0.51 C ATOM 427 O SER B 27 2.125 10.420 4.788 1.00 0.53 O ATOM 428 CB SER B 27 5.521 11.356 4.639 1.00 0.66 C ATOM 429 OG SER B 27 6.468 10.372 4.244 1.00 0.89 O ATOM 0 H SER B 27 5.691 9.129 5.925 1.00 0.53 H new ATOM 0 HA SER B 27 3.941 11.497 6.096 1.00 0.58 H new ATOM 0 HB2 SER B 27 5.092 11.830 3.756 1.00 0.66 H new ATOM 0 HB3 SER B 27 6.019 12.139 5.210 1.00 0.66 H new ATOM 0 HG SER B 27 7.064 10.171 4.996 1.00 0.89 H new ATOM 435 N ILE B 28 3.696 9.307 3.624 1.00 0.47 N ATOM 436 CA ILE B 28 2.731 8.696 2.702 1.00 0.44 C ATOM 437 C ILE B 28 1.867 7.662 3.425 1.00 0.42 C ATOM 438 O ILE B 28 0.670 7.533 3.157 1.00 0.41 O ATOM 439 CB ILE B 28 3.428 8.015 1.497 1.00 0.49 C ATOM 440 CG1 ILE B 28 2.386 7.338 0.592 1.00 1.16 C ATOM 441 CG2 ILE B 28 4.463 7.012 1.973 1.00 0.80 C ATOM 442 CD1 ILE B 28 2.970 6.369 -0.421 1.00 1.25 C ATOM 0 H ILE B 28 4.666 9.037 3.460 1.00 0.47 H new ATOM 0 HA ILE B 28 2.104 9.505 2.328 1.00 0.44 H new ATOM 0 HB ILE B 28 3.943 8.780 0.916 1.00 0.49 H new ATOM 0 HG12 ILE B 28 1.672 6.803 1.218 1.00 1.16 H new ATOM 0 HG13 ILE B 28 1.829 8.109 0.060 1.00 1.16 H new ATOM 0 HG21 ILE B 28 4.941 6.545 1.111 1.00 0.80 H new ATOM 0 HG22 ILE B 28 5.216 7.523 2.573 1.00 0.80 H new ATOM 0 HG23 ILE B 28 3.977 6.246 2.577 1.00 0.80 H new ATOM 0 HD11 ILE B 28 2.166 5.937 -1.017 1.00 1.25 H new ATOM 0 HD12 ILE B 28 3.662 6.900 -1.075 1.00 1.25 H new ATOM 0 HD13 ILE B 28 3.502 5.574 0.101 1.00 1.25 H new ATOM 454 N GLY B 29 2.482 6.933 4.353 1.00 0.46 N ATOM 455 CA GLY B 29 1.773 5.910 5.097 1.00 0.48 C ATOM 456 C GLY B 29 0.622 6.467 5.904 1.00 0.46 C ATOM 457 O GLY B 29 -0.456 5.882 5.945 1.00 0.50 O ATOM 0 H GLY B 29 3.466 7.035 4.603 1.00 0.46 H new ATOM 0 HA2 GLY B 29 1.395 5.159 4.404 1.00 0.48 H new ATOM 0 HA3 GLY B 29 2.470 5.405 5.766 1.00 0.48 H new ATOM 461 N SER B 30 0.848 7.609 6.530 1.00 0.43 N ATOM 462 CA SER B 30 -0.169 8.251 7.347 1.00 0.45 C ATOM 463 C SER B 30 -1.348 8.711 6.488 1.00 0.42 C ATOM 464 O SER B 30 -2.510 8.514 6.853 1.00 0.45 O ATOM 465 CB SER B 30 0.447 9.435 8.099 1.00 0.47 C ATOM 466 OG SER B 30 -0.457 9.970 9.046 1.00 0.94 O ATOM 0 H SER B 30 1.733 8.114 6.488 1.00 0.43 H new ATOM 0 HA SER B 30 -0.547 7.528 8.070 1.00 0.45 H new ATOM 0 HB2 SER B 30 1.358 9.113 8.604 1.00 0.47 H new ATOM 0 HB3 SER B 30 0.733 10.210 7.388 1.00 0.47 H new ATOM 0 HG SER B 30 -0.036 10.723 9.511 1.00 0.94 H new ATOM 472 N ASP B 31 -1.045 9.302 5.338 1.00 0.37 N ATOM 473 CA ASP B 31 -2.084 9.792 4.437 1.00 0.38 C ATOM 474 C ASP B 31 -2.899 8.638 3.865 1.00 0.37 C ATOM 475 O ASP B 31 -4.132 8.676 3.864 1.00 0.39 O ATOM 476 CB ASP B 31 -1.476 10.619 3.308 1.00 0.38 C ATOM 477 CG ASP B 31 -2.486 11.569 2.701 1.00 0.96 C ATOM 478 OD1 ASP B 31 -3.023 12.417 3.444 1.00 1.48 O ATOM 479 OD2 ASP B 31 -2.749 11.466 1.487 1.00 1.35 O ATOM 0 H ASP B 31 -0.092 9.454 5.007 1.00 0.37 H new ATOM 0 HA ASP B 31 -2.752 10.431 5.015 1.00 0.38 H new ATOM 0 HB2 ASP B 31 -0.627 11.186 3.689 1.00 0.38 H new ATOM 0 HB3 ASP B 31 -1.093 9.953 2.535 1.00 0.38 H new ATOM 484 N LEU B 32 -2.220 7.596 3.391 1.00 0.36 N ATOM 485 CA LEU B 32 -2.919 6.444 2.836 1.00 0.36 C ATOM 486 C LEU B 32 -3.628 5.671 3.938 1.00 0.38 C ATOM 487 O LEU B 32 -4.627 4.998 3.688 1.00 0.40 O ATOM 488 CB LEU B 32 -1.972 5.539 2.051 1.00 0.36 C ATOM 489 CG LEU B 32 -2.074 5.713 0.536 1.00 0.38 C ATOM 490 CD1 LEU B 32 -0.996 6.648 0.029 1.00 0.59 C ATOM 491 CD2 LEU B 32 -1.999 4.382 -0.185 1.00 0.57 C ATOM 0 H LEU B 32 -1.202 7.527 3.380 1.00 0.36 H new ATOM 0 HA LEU B 32 -3.669 6.811 2.136 1.00 0.36 H new ATOM 0 HB2 LEU B 32 -0.947 5.741 2.363 1.00 0.36 H new ATOM 0 HB3 LEU B 32 -2.183 4.500 2.304 1.00 0.36 H new ATOM 0 HG LEU B 32 -3.048 6.154 0.323 1.00 0.38 H new ATOM 0 HD11 LEU B 32 -1.088 6.757 -1.052 1.00 0.59 H new ATOM 0 HD12 LEU B 32 -1.108 7.623 0.503 1.00 0.59 H new ATOM 0 HD13 LEU B 32 -0.015 6.238 0.270 1.00 0.59 H new ATOM 0 HD21 LEU B 32 -2.075 4.546 -1.260 1.00 0.57 H new ATOM 0 HD22 LEU B 32 -1.049 3.898 0.042 1.00 0.57 H new ATOM 0 HD23 LEU B 32 -2.819 3.744 0.144 1.00 0.57 H new ATOM 503 N GLY B 33 -3.111 5.774 5.159 1.00 0.38 N ATOM 504 CA GLY B 33 -3.734 5.112 6.287 1.00 0.39 C ATOM 505 C GLY B 33 -5.098 5.705 6.546 1.00 0.41 C ATOM 506 O GLY B 33 -6.059 4.994 6.844 1.00 0.42 O ATOM 0 H GLY B 33 -2.270 6.305 5.386 1.00 0.38 H new ATOM 0 HA2 GLY B 33 -3.825 4.044 6.088 1.00 0.39 H new ATOM 0 HA3 GLY B 33 -3.108 5.219 7.173 1.00 0.39 H new ATOM 510 N ALA B 34 -5.182 7.021 6.410 1.00 0.41 N ATOM 511 CA ALA B 34 -6.433 7.739 6.582 1.00 0.44 C ATOM 512 C ALA B 34 -7.373 7.397 5.440 1.00 0.44 C ATOM 513 O ALA B 34 -8.591 7.382 5.590 1.00 0.49 O ATOM 514 CB ALA B 34 -6.184 9.236 6.603 1.00 0.44 C ATOM 0 H ALA B 34 -4.387 7.617 6.178 1.00 0.41 H new ATOM 0 HA ALA B 34 -6.882 7.444 7.530 1.00 0.44 H new ATOM 0 HB1 ALA B 34 -7.131 9.761 6.732 1.00 0.44 H new ATOM 0 HB2 ALA B 34 -5.517 9.482 7.429 1.00 0.44 H new ATOM 0 HB3 ALA B 34 -5.725 9.542 5.663 1.00 0.44 H new ATOM 520 N SER B 35 -6.785 7.118 4.292 1.00 0.42 N ATOM 521 CA SER B 35 -7.543 6.773 3.109 1.00 0.42 C ATOM 522 C SER B 35 -8.107 5.358 3.228 1.00 0.41 C ATOM 523 O SER B 35 -9.163 5.052 2.674 1.00 0.40 O ATOM 524 CB SER B 35 -6.654 6.894 1.874 1.00 0.43 C ATOM 525 OG SER B 35 -6.130 8.207 1.766 1.00 0.48 O ATOM 0 H SER B 35 -5.774 7.125 4.156 1.00 0.42 H new ATOM 0 HA SER B 35 -8.380 7.464 3.011 1.00 0.42 H new ATOM 0 HB2 SER B 35 -5.838 6.174 1.934 1.00 0.43 H new ATOM 0 HB3 SER B 35 -7.228 6.651 0.980 1.00 0.43 H new ATOM 0 HG SER B 35 -5.477 8.359 2.481 1.00 0.48 H new ATOM 531 N ILE B 36 -7.414 4.505 3.981 1.00 0.45 N ATOM 532 CA ILE B 36 -7.843 3.127 4.166 1.00 0.47 C ATOM 533 C ILE B 36 -9.150 3.054 4.960 1.00 0.43 C ATOM 534 O ILE B 36 -10.006 2.216 4.678 1.00 0.43 O ATOM 535 CB ILE B 36 -6.732 2.267 4.838 1.00 0.57 C ATOM 536 CG1 ILE B 36 -6.535 0.965 4.059 1.00 0.68 C ATOM 537 CG2 ILE B 36 -7.039 1.959 6.301 1.00 0.55 C ATOM 538 CD1 ILE B 36 -5.920 1.163 2.687 1.00 1.03 C ATOM 0 H ILE B 36 -6.553 4.748 4.471 1.00 0.45 H new ATOM 0 HA ILE B 36 -8.029 2.710 3.176 1.00 0.47 H new ATOM 0 HB ILE B 36 -5.813 2.853 4.817 1.00 0.57 H new ATOM 0 HG12 ILE B 36 -5.899 0.297 4.640 1.00 0.68 H new ATOM 0 HG13 ILE B 36 -7.499 0.469 3.947 1.00 0.68 H new ATOM 0 HG21 ILE B 36 -6.234 1.357 6.723 1.00 0.55 H new ATOM 0 HG22 ILE B 36 -7.126 2.891 6.859 1.00 0.55 H new ATOM 0 HG23 ILE B 36 -7.977 1.408 6.368 1.00 0.55 H new ATOM 0 HD11 ILE B 36 -5.811 0.197 2.194 1.00 1.03 H new ATOM 0 HD12 ILE B 36 -6.566 1.805 2.088 1.00 1.03 H new ATOM 0 HD13 ILE B 36 -4.941 1.630 2.791 1.00 1.03 H new ATOM 550 N LYS B 37 -9.324 3.956 5.925 1.00 0.42 N ATOM 551 CA LYS B 37 -10.539 3.959 6.732 1.00 0.41 C ATOM 552 C LYS B 37 -11.691 4.568 5.942 1.00 0.43 C ATOM 553 O LYS B 37 -12.858 4.296 6.213 1.00 0.55 O ATOM 554 CB LYS B 37 -10.325 4.717 8.047 1.00 0.44 C ATOM 555 CG LYS B 37 -10.055 6.201 7.870 1.00 0.46 C ATOM 556 CD LYS B 37 -10.051 6.934 9.199 1.00 0.51 C ATOM 557 CE LYS B 37 -9.779 8.417 9.018 1.00 0.58 C ATOM 558 NZ LYS B 37 -9.767 9.136 10.317 1.00 0.70 N ATOM 0 H LYS B 37 -8.649 4.683 6.163 1.00 0.42 H new ATOM 0 HA LYS B 37 -10.789 2.927 6.979 1.00 0.41 H new ATOM 0 HB2 LYS B 37 -11.208 4.591 8.674 1.00 0.44 H new ATOM 0 HB3 LYS B 37 -9.488 4.267 8.581 1.00 0.44 H new ATOM 0 HG2 LYS B 37 -9.094 6.339 7.375 1.00 0.46 H new ATOM 0 HG3 LYS B 37 -10.814 6.634 7.218 1.00 0.46 H new ATOM 0 HD2 LYS B 37 -11.013 6.797 9.693 1.00 0.51 H new ATOM 0 HD3 LYS B 37 -9.293 6.501 9.852 1.00 0.51 H new ATOM 0 HE2 LYS B 37 -8.820 8.553 8.518 1.00 0.58 H new ATOM 0 HE3 LYS B 37 -10.540 8.850 8.369 1.00 0.58 H new ATOM 0 HZ1 LYS B 37 -9.578 10.146 10.153 1.00 0.70 H new ATOM 0 HZ2 LYS B 37 -10.691 9.027 10.782 1.00 0.70 H new ATOM 0 HZ3 LYS B 37 -9.024 8.739 10.926 1.00 0.70 H new ATOM 572 N GLY B 38 -11.348 5.382 4.952 1.00 0.36 N ATOM 573 CA GLY B 38 -12.350 6.016 4.126 1.00 0.42 C ATOM 574 C GLY B 38 -12.838 5.102 3.026 1.00 0.44 C ATOM 575 O GLY B 38 -14.029 5.057 2.729 1.00 0.51 O ATOM 0 H GLY B 38 -10.385 5.614 4.707 1.00 0.36 H new ATOM 0 HA2 GLY B 38 -13.193 6.318 4.747 1.00 0.42 H new ATOM 0 HA3 GLY B 38 -11.936 6.924 3.686 1.00 0.42 H new ATOM 579 N PHE B 39 -11.917 4.361 2.430 1.00 0.44 N ATOM 580 CA PHE B 39 -12.253 3.444 1.348 1.00 0.52 C ATOM 581 C PHE B 39 -13.112 2.291 1.869 1.00 0.43 C ATOM 582 O PHE B 39 -14.058 1.859 1.209 1.00 0.48 O ATOM 583 CB PHE B 39 -10.967 2.937 0.663 1.00 0.70 C ATOM 584 CG PHE B 39 -10.707 1.458 0.782 1.00 0.74 C ATOM 585 CD1 PHE B 39 -11.193 0.582 -0.172 1.00 0.74 C ATOM 586 CD2 PHE B 39 -9.967 0.947 1.836 1.00 1.21 C ATOM 587 CE1 PHE B 39 -10.947 -0.774 -0.082 1.00 1.06 C ATOM 588 CE2 PHE B 39 -9.721 -0.408 1.937 1.00 1.48 C ATOM 589 CZ PHE B 39 -10.211 -1.271 0.973 1.00 1.36 C ATOM 0 H PHE B 39 -10.927 4.376 2.677 1.00 0.44 H new ATOM 0 HA PHE B 39 -12.841 3.975 0.600 1.00 0.52 H new ATOM 0 HB2 PHE B 39 -11.014 3.196 -0.395 1.00 0.70 H new ATOM 0 HB3 PHE B 39 -10.116 3.473 1.085 1.00 0.70 H new ATOM 0 HD1 PHE B 39 -11.773 0.964 -0.999 1.00 0.74 H new ATOM 0 HD2 PHE B 39 -9.578 1.617 2.588 1.00 1.21 H new ATOM 0 HE1 PHE B 39 -11.331 -1.444 -0.837 1.00 1.06 H new ATOM 0 HE2 PHE B 39 -9.147 -0.793 2.767 1.00 1.48 H new ATOM 0 HZ PHE B 39 -10.018 -2.331 1.047 1.00 1.36 H new ATOM 599 N LYS B 40 -12.800 1.815 3.069 1.00 0.41 N ATOM 600 CA LYS B 40 -13.541 0.711 3.663 1.00 0.44 C ATOM 601 C LYS B 40 -14.856 1.204 4.262 1.00 0.43 C ATOM 602 O LYS B 40 -15.743 0.413 4.565 1.00 0.50 O ATOM 603 CB LYS B 40 -12.704 0.012 4.738 1.00 0.52 C ATOM 604 CG LYS B 40 -13.017 -1.471 4.884 1.00 0.86 C ATOM 605 CD LYS B 40 -12.192 -2.313 3.923 1.00 0.97 C ATOM 606 CE LYS B 40 -12.573 -3.782 4.003 1.00 1.34 C ATOM 607 NZ LYS B 40 -11.403 -4.678 3.817 1.00 1.61 N ATOM 0 H LYS B 40 -12.041 2.176 3.647 1.00 0.41 H new ATOM 0 HA LYS B 40 -13.764 -0.007 2.874 1.00 0.44 H new ATOM 0 HB2 LYS B 40 -11.647 0.130 4.498 1.00 0.52 H new ATOM 0 HB3 LYS B 40 -12.871 0.506 5.695 1.00 0.52 H new ATOM 0 HG2 LYS B 40 -12.818 -1.787 5.908 1.00 0.86 H new ATOM 0 HG3 LYS B 40 -14.078 -1.640 4.699 1.00 0.86 H new ATOM 0 HD2 LYS B 40 -12.338 -1.953 2.905 1.00 0.97 H new ATOM 0 HD3 LYS B 40 -11.133 -2.197 4.153 1.00 0.97 H new ATOM 0 HE2 LYS B 40 -13.032 -3.984 4.971 1.00 1.34 H new ATOM 0 HE3 LYS B 40 -13.322 -4.003 3.242 1.00 1.34 H new ATOM 0 HZ1 LYS B 40 -11.711 -5.669 3.880 1.00 1.61 H new ATOM 0 HZ2 LYS B 40 -10.979 -4.506 2.883 1.00 1.61 H new ATOM 0 HZ3 LYS B 40 -10.698 -4.487 4.558 1.00 1.61 H new ATOM 621 N LYS B 41 -14.982 2.516 4.415 1.00 0.40 N ATOM 622 CA LYS B 41 -16.193 3.102 4.981 1.00 0.45 C ATOM 623 C LYS B 41 -17.347 3.029 3.986 1.00 0.41 C ATOM 624 O LYS B 41 -18.508 3.147 4.360 1.00 0.48 O ATOM 625 CB LYS B 41 -15.949 4.555 5.393 1.00 0.53 C ATOM 626 CG LYS B 41 -16.771 4.999 6.594 1.00 0.66 C ATOM 627 CD LYS B 41 -16.244 4.391 7.886 1.00 0.77 C ATOM 628 CE LYS B 41 -16.951 4.961 9.108 1.00 0.94 C ATOM 629 NZ LYS B 41 -18.360 4.491 9.216 1.00 1.04 N ATOM 0 H LYS B 41 -14.264 3.193 4.157 1.00 0.40 H new ATOM 0 HA LYS B 41 -16.461 2.527 5.867 1.00 0.45 H new ATOM 0 HB2 LYS B 41 -14.891 4.686 5.620 1.00 0.53 H new ATOM 0 HB3 LYS B 41 -16.176 5.205 4.548 1.00 0.53 H new ATOM 0 HG2 LYS B 41 -16.751 6.086 6.668 1.00 0.66 H new ATOM 0 HG3 LYS B 41 -17.812 4.708 6.452 1.00 0.66 H new ATOM 0 HD2 LYS B 41 -16.378 3.310 7.860 1.00 0.77 H new ATOM 0 HD3 LYS B 41 -15.173 4.578 7.965 1.00 0.77 H new ATOM 0 HE2 LYS B 41 -16.405 4.675 10.007 1.00 0.94 H new ATOM 0 HE3 LYS B 41 -16.936 6.050 9.059 1.00 0.94 H new ATOM 0 HZ1 LYS B 41 -18.800 4.905 10.062 1.00 1.04 H new ATOM 0 HZ2 LYS B 41 -18.890 4.786 8.371 1.00 1.04 H new ATOM 0 HZ3 LYS B 41 -18.375 3.454 9.290 1.00 1.04 H new ATOM 643 N ALA B 42 -17.023 2.849 2.716 1.00 0.32 N ATOM 644 CA ALA B 42 -18.050 2.749 1.690 1.00 0.29 C ATOM 645 C ALA B 42 -18.537 1.312 1.574 1.00 0.27 C ATOM 646 O ALA B 42 -19.720 1.060 1.348 1.00 0.41 O ATOM 647 CB ALA B 42 -17.517 3.249 0.356 1.00 0.31 C ATOM 0 H ALA B 42 -16.066 2.770 2.372 1.00 0.32 H new ATOM 0 HA ALA B 42 -18.895 3.376 1.975 1.00 0.29 H new ATOM 0 HB1 ALA B 42 -18.297 3.168 -0.401 1.00 0.31 H new ATOM 0 HB2 ALA B 42 -17.213 4.291 0.453 1.00 0.31 H new ATOM 0 HB3 ALA B 42 -16.659 2.647 0.058 1.00 0.31 H new ATOM 653 N MET B 43 -17.620 0.372 1.746 1.00 0.37 N ATOM 654 CA MET B 43 -17.948 -1.043 1.662 1.00 0.43 C ATOM 655 C MET B 43 -17.888 -1.693 3.041 1.00 0.48 C ATOM 656 O MET B 43 -16.870 -2.272 3.425 1.00 0.72 O ATOM 657 CB MET B 43 -17.006 -1.767 0.692 1.00 0.54 C ATOM 658 CG MET B 43 -15.545 -1.353 0.818 1.00 0.75 C ATOM 659 SD MET B 43 -14.411 -2.758 0.778 1.00 1.39 S ATOM 660 CE MET B 43 -14.970 -3.619 -0.690 1.00 1.21 C ATOM 0 H MET B 43 -16.638 0.565 1.945 1.00 0.37 H new ATOM 0 HA MET B 43 -18.966 -1.129 1.281 1.00 0.43 H new ATOM 0 HB2 MET B 43 -17.084 -2.841 0.860 1.00 0.54 H new ATOM 0 HB3 MET B 43 -17.339 -1.579 -0.329 1.00 0.54 H new ATOM 0 HG2 MET B 43 -15.295 -0.668 0.008 1.00 0.75 H new ATOM 0 HG3 MET B 43 -15.406 -0.807 1.751 1.00 0.75 H new ATOM 0 HE1 MET B 43 -14.147 -4.198 -1.108 1.00 1.21 H new ATOM 0 HE2 MET B 43 -15.789 -4.289 -0.429 1.00 1.21 H new ATOM 0 HE3 MET B 43 -15.315 -2.894 -1.428 1.00 1.21 H new ATOM 670 N SER B 44 -18.974 -1.571 3.790 1.00 0.56 N ATOM 671 CA SER B 44 -19.059 -2.151 5.123 1.00 0.66 C ATOM 672 C SER B 44 -20.515 -2.348 5.538 1.00 0.66 C ATOM 673 O SER B 44 -21.416 -1.699 5.000 1.00 0.99 O ATOM 674 CB SER B 44 -18.332 -1.265 6.137 1.00 0.88 C ATOM 675 OG SER B 44 -18.220 0.069 5.667 1.00 1.35 O ATOM 0 H SER B 44 -19.814 -1.072 3.495 1.00 0.56 H new ATOM 0 HA SER B 44 -18.575 -3.128 5.101 1.00 0.66 H new ATOM 0 HB2 SER B 44 -18.871 -1.275 7.085 1.00 0.88 H new ATOM 0 HB3 SER B 44 -17.339 -1.670 6.331 1.00 0.88 H new ATOM 0 HG SER B 44 -17.308 0.226 5.344 1.00 1.35 H new ATOM 681 N ASP B 45 -20.734 -3.241 6.499 1.00 0.91 N ATOM 682 CA ASP B 45 -22.074 -3.535 6.996 1.00 1.13 C ATOM 683 C ASP B 45 -22.111 -3.410 8.518 1.00 1.69 C ATOM 684 O ASP B 45 -21.072 -3.190 9.148 1.00 2.33 O ATOM 685 CB ASP B 45 -22.497 -4.948 6.564 1.00 1.52 C ATOM 686 CG ASP B 45 -23.972 -5.229 6.801 1.00 2.08 C ATOM 687 OD1 ASP B 45 -24.755 -4.261 6.906 1.00 2.25 O ATOM 688 OD2 ASP B 45 -24.349 -6.415 6.890 1.00 2.83 O ATOM 0 H ASP B 45 -19.994 -3.777 6.952 1.00 0.91 H new ATOM 0 HA ASP B 45 -22.774 -2.815 6.572 1.00 1.13 H new ATOM 0 HB2 ASP B 45 -22.274 -5.079 5.505 1.00 1.52 H new ATOM 0 HB3 ASP B 45 -21.902 -5.681 7.108 1.00 1.52 H new ATOM 693 N ASP B 46 -23.310 -3.549 9.089 1.00 2.19 N ATOM 694 CA ASP B 46 -23.532 -3.463 10.536 1.00 3.07 C ATOM 695 C ASP B 46 -23.312 -2.037 11.030 1.00 3.60 C ATOM 696 O ASP B 46 -22.223 -1.670 11.473 1.00 4.02 O ATOM 697 CB ASP B 46 -22.637 -4.451 11.299 1.00 3.37 C ATOM 698 CG ASP B 46 -23.196 -4.816 12.661 1.00 4.32 C ATOM 699 OD1 ASP B 46 -24.425 -5.020 12.765 1.00 4.58 O ATOM 700 OD2 ASP B 46 -22.407 -4.923 13.626 1.00 5.06 O ATOM 0 H ASP B 46 -24.162 -3.726 8.556 1.00 2.19 H new ATOM 0 HA ASP B 46 -24.568 -3.738 10.732 1.00 3.07 H new ATOM 0 HB2 ASP B 46 -22.516 -5.357 10.706 1.00 3.37 H new ATOM 0 HB3 ASP B 46 -21.645 -4.016 11.423 1.00 3.37 H new ATOM 705 N GLU B 47 -24.362 -1.234 10.926 1.00 4.00 N ATOM 706 CA GLU B 47 -24.322 0.157 11.353 1.00 4.87 C ATOM 707 C GLU B 47 -24.995 0.306 12.711 1.00 5.68 C ATOM 708 O GLU B 47 -26.182 -0.060 12.822 1.00 5.83 O ATOM 709 CB GLU B 47 -25.027 1.055 10.334 1.00 5.14 C ATOM 710 CG GLU B 47 -24.348 1.109 8.975 1.00 5.00 C ATOM 711 CD GLU B 47 -25.048 2.050 8.011 1.00 5.71 C ATOM 712 OE1 GLU B 47 -24.829 3.278 8.107 1.00 6.00 O ATOM 713 OE2 GLU B 47 -25.824 1.564 7.165 1.00 6.25 O ATOM 0 H GLU B 47 -25.262 -1.527 10.545 1.00 4.00 H new ATOM 0 HA GLU B 47 -23.278 0.461 11.429 1.00 4.87 H new ATOM 0 HB2 GLU B 47 -26.050 0.703 10.203 1.00 5.14 H new ATOM 0 HB3 GLU B 47 -25.087 2.066 10.738 1.00 5.14 H new ATOM 0 HG2 GLU B 47 -23.314 1.428 9.102 1.00 5.00 H new ATOM 0 HG3 GLU B 47 -24.322 0.108 8.545 1.00 5.00 H new TER 720 GLU B 47 ATOM 721 N MET A 1 9.090 -10.229 -18.048 1.00 8.05 N ATOM 722 CA MET A 1 10.053 -9.897 -16.976 1.00 7.44 C ATOM 723 C MET A 1 9.330 -9.276 -15.786 1.00 6.81 C ATOM 724 O MET A 1 8.754 -8.191 -15.893 1.00 7.05 O ATOM 725 CB MET A 1 11.125 -8.935 -17.505 1.00 8.08 C ATOM 726 CG MET A 1 12.158 -8.537 -16.463 1.00 8.69 C ATOM 727 SD MET A 1 13.115 -9.941 -15.855 1.00 9.17 S ATOM 728 CE MET A 1 14.231 -9.122 -14.719 1.00 10.04 C ATOM 0 H1 MET A 1 9.597 -10.651 -18.852 1.00 8.05 H new ATOM 0 H2 MET A 1 8.389 -10.907 -17.687 1.00 8.05 H new ATOM 0 H3 MET A 1 8.606 -9.363 -18.360 1.00 8.05 H new ATOM 0 HA MET A 1 10.538 -10.816 -16.648 1.00 7.44 H new ATOM 0 HB2 MET A 1 11.634 -9.401 -18.349 1.00 8.08 H new ATOM 0 HB3 MET A 1 10.639 -8.036 -17.883 1.00 8.08 H new ATOM 0 HG2 MET A 1 12.836 -7.800 -16.893 1.00 8.69 H new ATOM 0 HG3 MET A 1 11.655 -8.056 -15.624 1.00 8.69 H new ATOM 0 HE1 MET A 1 14.890 -9.860 -14.261 1.00 10.04 H new ATOM 0 HE2 MET A 1 14.828 -8.389 -15.261 1.00 10.04 H new ATOM 0 HE3 MET A 1 13.655 -8.618 -13.943 1.00 10.04 H new ATOM 738 N GLY A 2 9.350 -9.974 -14.660 1.00 6.32 N ATOM 739 CA GLY A 2 8.695 -9.481 -13.468 1.00 6.04 C ATOM 740 C GLY A 2 7.372 -10.175 -13.214 1.00 5.13 C ATOM 741 O GLY A 2 7.255 -10.971 -12.282 1.00 5.17 O ATOM 0 H GLY A 2 9.811 -10.877 -14.551 1.00 6.32 H new ATOM 0 HA2 GLY A 2 9.350 -9.626 -12.609 1.00 6.04 H new ATOM 0 HA3 GLY A 2 8.528 -8.408 -13.564 1.00 6.04 H new ATOM 745 N GLY A 3 6.383 -9.891 -14.048 1.00 4.68 N ATOM 746 CA GLY A 3 5.077 -10.498 -13.881 1.00 4.10 C ATOM 747 C GLY A 3 4.116 -9.585 -13.150 1.00 3.67 C ATOM 748 O GLY A 3 4.376 -8.390 -13.006 1.00 4.03 O ATOM 0 H GLY A 3 6.461 -9.251 -14.838 1.00 4.68 H new ATOM 0 HA2 GLY A 3 4.666 -10.748 -14.859 1.00 4.10 H new ATOM 0 HA3 GLY A 3 5.180 -11.433 -13.329 1.00 4.10 H new ATOM 752 N ILE A 4 3.007 -10.141 -12.688 1.00 3.09 N ATOM 753 CA ILE A 4 2.006 -9.369 -11.966 1.00 2.96 C ATOM 754 C ILE A 4 1.716 -9.997 -10.608 1.00 2.05 C ATOM 755 O ILE A 4 0.587 -9.965 -10.121 1.00 2.23 O ATOM 756 CB ILE A 4 0.688 -9.251 -12.762 1.00 3.47 C ATOM 757 CG1 ILE A 4 0.344 -10.577 -13.449 1.00 3.57 C ATOM 758 CG2 ILE A 4 0.784 -8.125 -13.781 1.00 4.39 C ATOM 759 CD1 ILE A 4 -0.939 -10.536 -14.253 1.00 4.16 C ATOM 0 H ILE A 4 2.776 -11.128 -12.801 1.00 3.09 H new ATOM 0 HA ILE A 4 2.417 -8.369 -11.827 1.00 2.96 H new ATOM 0 HB ILE A 4 -0.115 -9.017 -12.063 1.00 3.47 H new ATOM 0 HG12 ILE A 4 1.166 -10.857 -14.108 1.00 3.57 H new ATOM 0 HG13 ILE A 4 0.262 -11.357 -12.692 1.00 3.57 H new ATOM 0 HG21 ILE A 4 -0.152 -8.054 -14.334 1.00 4.39 H new ATOM 0 HG22 ILE A 4 0.973 -7.183 -13.266 1.00 4.39 H new ATOM 0 HG23 ILE A 4 1.600 -8.330 -14.474 1.00 4.39 H new ATOM 0 HD11 ILE A 4 -1.114 -11.511 -14.708 1.00 4.16 H new ATOM 0 HD12 ILE A 4 -1.772 -10.287 -13.596 1.00 4.16 H new ATOM 0 HD13 ILE A 4 -0.855 -9.780 -15.034 1.00 4.16 H new ATOM 771 N SER A 5 2.745 -10.569 -10.001 1.00 1.57 N ATOM 772 CA SER A 5 2.605 -11.203 -8.697 1.00 1.01 C ATOM 773 C SER A 5 3.065 -10.256 -7.596 1.00 0.90 C ATOM 774 O SER A 5 4.011 -9.490 -7.785 1.00 0.96 O ATOM 775 CB SER A 5 3.412 -12.498 -8.657 1.00 1.64 C ATOM 776 OG SER A 5 3.569 -13.035 -9.962 1.00 2.02 O ATOM 0 H SER A 5 3.687 -10.608 -10.390 1.00 1.57 H new ATOM 0 HA SER A 5 1.554 -11.439 -8.531 1.00 1.01 H new ATOM 0 HB2 SER A 5 4.391 -12.308 -8.217 1.00 1.64 H new ATOM 0 HB3 SER A 5 2.911 -13.225 -8.018 1.00 1.64 H new ATOM 0 HG SER A 5 3.794 -13.987 -9.899 1.00 2.02 H new ATOM 782 N ILE A 6 2.404 -10.324 -6.448 1.00 0.84 N ATOM 783 CA ILE A 6 2.728 -9.464 -5.313 1.00 0.75 C ATOM 784 C ILE A 6 4.165 -9.680 -4.847 1.00 0.65 C ATOM 785 O ILE A 6 4.837 -8.736 -4.432 1.00 0.61 O ATOM 786 CB ILE A 6 1.768 -9.707 -4.124 1.00 0.82 C ATOM 787 CG1 ILE A 6 0.307 -9.596 -4.576 1.00 0.95 C ATOM 788 CG2 ILE A 6 2.054 -8.715 -3.003 1.00 0.79 C ATOM 789 CD1 ILE A 6 -0.072 -8.218 -5.079 1.00 0.96 C ATOM 0 H ILE A 6 1.634 -10.970 -6.276 1.00 0.84 H new ATOM 0 HA ILE A 6 2.613 -8.436 -5.657 1.00 0.75 H new ATOM 0 HB ILE A 6 1.934 -10.717 -3.748 1.00 0.82 H new ATOM 0 HG12 ILE A 6 0.124 -10.324 -5.366 1.00 0.95 H new ATOM 0 HG13 ILE A 6 -0.343 -9.860 -3.742 1.00 0.95 H new ATOM 0 HG21 ILE A 6 1.371 -8.897 -2.173 1.00 0.79 H new ATOM 0 HG22 ILE A 6 3.082 -8.838 -2.661 1.00 0.79 H new ATOM 0 HG23 ILE A 6 1.914 -7.699 -3.372 1.00 0.79 H new ATOM 0 HD11 ILE A 6 -1.119 -8.216 -5.381 1.00 0.96 H new ATOM 0 HD12 ILE A 6 0.078 -7.487 -4.285 1.00 0.96 H new ATOM 0 HD13 ILE A 6 0.552 -7.958 -5.934 1.00 0.96 H new ATOM 801 N TRP A 7 4.632 -10.921 -4.938 1.00 0.64 N ATOM 802 CA TRP A 7 5.987 -11.269 -4.519 1.00 0.60 C ATOM 803 C TRP A 7 7.030 -10.394 -5.217 1.00 0.56 C ATOM 804 O TRP A 7 7.755 -9.641 -4.568 1.00 0.54 O ATOM 805 CB TRP A 7 6.268 -12.746 -4.809 1.00 0.67 C ATOM 806 CG TRP A 7 6.797 -13.490 -3.626 1.00 0.64 C ATOM 807 CD1 TRP A 7 6.069 -14.210 -2.723 1.00 0.75 C ATOM 808 CD2 TRP A 7 8.165 -13.592 -3.213 1.00 0.65 C ATOM 809 NE1 TRP A 7 6.897 -14.748 -1.772 1.00 0.78 N ATOM 810 CE2 TRP A 7 8.190 -14.382 -2.049 1.00 0.71 C ATOM 811 CE3 TRP A 7 9.369 -13.092 -3.713 1.00 0.76 C ATOM 812 CZ2 TRP A 7 9.371 -14.681 -1.379 1.00 0.82 C ATOM 813 CZ3 TRP A 7 10.540 -13.389 -3.045 1.00 0.91 C ATOM 814 CH2 TRP A 7 10.535 -14.176 -1.888 1.00 0.92 C ATOM 0 H TRP A 7 4.090 -11.706 -5.300 1.00 0.64 H new ATOM 0 HA TRP A 7 6.059 -11.091 -3.446 1.00 0.60 H new ATOM 0 HB2 TRP A 7 5.349 -13.224 -5.149 1.00 0.67 H new ATOM 0 HB3 TRP A 7 6.986 -12.819 -5.626 1.00 0.67 H new ATOM 0 HD1 TRP A 7 4.997 -14.337 -2.753 1.00 0.75 H new ATOM 0 HE1 TRP A 7 6.600 -15.326 -0.986 1.00 0.78 H new ATOM 0 HE3 TRP A 7 9.384 -12.484 -4.606 1.00 0.76 H new ATOM 0 HZ2 TRP A 7 9.369 -15.291 -0.488 1.00 0.82 H new ATOM 0 HZ3 TRP A 7 11.477 -13.007 -3.422 1.00 0.91 H new ATOM 0 HH2 TRP A 7 11.468 -14.388 -1.388 1.00 0.92 H new ATOM 825 N GLN A 8 7.088 -10.488 -6.540 1.00 0.57 N ATOM 826 CA GLN A 8 8.045 -9.712 -7.328 1.00 0.59 C ATOM 827 C GLN A 8 7.792 -8.215 -7.180 1.00 0.58 C ATOM 828 O GLN A 8 8.733 -7.424 -7.084 1.00 0.59 O ATOM 829 CB GLN A 8 7.972 -10.106 -8.806 1.00 0.68 C ATOM 830 CG GLN A 8 8.231 -11.582 -9.061 1.00 0.79 C ATOM 831 CD GLN A 8 6.954 -12.399 -9.059 1.00 1.06 C ATOM 832 OE1 GLN A 8 6.500 -12.861 -8.012 1.00 1.49 O ATOM 833 NE2 GLN A 8 6.363 -12.575 -10.227 1.00 1.50 N ATOM 0 H GLN A 8 6.483 -11.095 -7.093 1.00 0.57 H new ATOM 0 HA GLN A 8 9.043 -9.934 -6.949 1.00 0.59 H new ATOM 0 HB2 GLN A 8 6.986 -9.847 -9.193 1.00 0.68 H new ATOM 0 HB3 GLN A 8 8.699 -9.517 -9.366 1.00 0.68 H new ATOM 0 HG2 GLN A 8 8.734 -11.700 -10.021 1.00 0.79 H new ATOM 0 HG3 GLN A 8 8.907 -11.967 -8.298 1.00 0.79 H new ATOM 0 HE21 GLN A 8 6.773 -12.175 -11.071 1.00 1.50 H new ATOM 0 HE22 GLN A 8 5.497 -13.111 -10.285 1.00 1.50 H new ATOM 842 N LEU A 9 6.521 -7.838 -7.148 1.00 0.60 N ATOM 843 CA LEU A 9 6.129 -6.437 -7.018 1.00 0.65 C ATOM 844 C LEU A 9 6.655 -5.835 -5.712 1.00 0.58 C ATOM 845 O LEU A 9 7.068 -4.675 -5.676 1.00 0.59 O ATOM 846 CB LEU A 9 4.600 -6.312 -7.084 1.00 0.74 C ATOM 847 CG LEU A 9 4.013 -5.936 -8.456 1.00 0.94 C ATOM 848 CD1 LEU A 9 4.232 -4.458 -8.752 1.00 0.95 C ATOM 849 CD2 LEU A 9 4.614 -6.798 -9.562 1.00 1.02 C ATOM 0 H LEU A 9 5.737 -8.487 -7.211 1.00 0.60 H new ATOM 0 HA LEU A 9 6.570 -5.881 -7.845 1.00 0.65 H new ATOM 0 HB2 LEU A 9 4.164 -7.261 -6.772 1.00 0.74 H new ATOM 0 HB3 LEU A 9 4.285 -5.562 -6.358 1.00 0.74 H new ATOM 0 HG LEU A 9 2.940 -6.124 -8.424 1.00 0.94 H new ATOM 0 HD11 LEU A 9 3.809 -4.216 -9.727 1.00 0.95 H new ATOM 0 HD12 LEU A 9 3.744 -3.857 -7.985 1.00 0.95 H new ATOM 0 HD13 LEU A 9 5.300 -4.242 -8.756 1.00 0.95 H new ATOM 0 HD21 LEU A 9 4.182 -6.512 -10.521 1.00 1.02 H new ATOM 0 HD22 LEU A 9 5.694 -6.651 -9.592 1.00 1.02 H new ATOM 0 HD23 LEU A 9 4.396 -7.848 -9.364 1.00 1.02 H new ATOM 861 N LEU A 10 6.652 -6.634 -4.650 1.00 0.52 N ATOM 862 CA LEU A 10 7.120 -6.183 -3.346 1.00 0.46 C ATOM 863 C LEU A 10 8.617 -5.893 -3.370 1.00 0.41 C ATOM 864 O LEU A 10 9.056 -4.860 -2.876 1.00 0.38 O ATOM 865 CB LEU A 10 6.821 -7.235 -2.276 1.00 0.45 C ATOM 866 CG LEU A 10 6.201 -6.713 -0.972 1.00 0.44 C ATOM 867 CD1 LEU A 10 6.757 -7.483 0.213 1.00 0.39 C ATOM 868 CD2 LEU A 10 6.447 -5.223 -0.787 1.00 0.43 C ATOM 0 H LEU A 10 6.329 -7.601 -4.668 1.00 0.52 H new ATOM 0 HA LEU A 10 6.589 -5.262 -3.105 1.00 0.46 H new ATOM 0 HB2 LEU A 10 6.147 -7.978 -2.703 1.00 0.45 H new ATOM 0 HB3 LEU A 10 7.750 -7.750 -2.032 1.00 0.45 H new ATOM 0 HG LEU A 10 5.124 -6.866 -1.033 1.00 0.44 H new ATOM 0 HD11 LEU A 10 6.311 -7.106 1.133 1.00 0.39 H new ATOM 0 HD12 LEU A 10 6.521 -8.541 0.103 1.00 0.39 H new ATOM 0 HD13 LEU A 10 7.839 -7.355 0.255 1.00 0.39 H new ATOM 0 HD21 LEU A 10 5.993 -4.892 0.147 1.00 0.43 H new ATOM 0 HD22 LEU A 10 7.520 -5.032 -0.756 1.00 0.43 H new ATOM 0 HD23 LEU A 10 6.005 -4.675 -1.619 1.00 0.43 H new ATOM 880 N ILE A 11 9.393 -6.805 -3.949 1.00 0.41 N ATOM 881 CA ILE A 11 10.842 -6.632 -4.021 1.00 0.39 C ATOM 882 C ILE A 11 11.199 -5.318 -4.719 1.00 0.40 C ATOM 883 O ILE A 11 12.029 -4.552 -4.226 1.00 0.38 O ATOM 884 CB ILE A 11 11.530 -7.832 -4.727 1.00 0.44 C ATOM 885 CG1 ILE A 11 11.850 -8.943 -3.720 1.00 0.48 C ATOM 886 CG2 ILE A 11 12.802 -7.405 -5.448 1.00 0.64 C ATOM 887 CD1 ILE A 11 10.645 -9.757 -3.307 1.00 0.99 C ATOM 0 H ILE A 11 9.047 -7.666 -4.373 1.00 0.41 H new ATOM 0 HA ILE A 11 11.217 -6.594 -2.998 1.00 0.39 H new ATOM 0 HB ILE A 11 10.830 -8.214 -5.470 1.00 0.44 H new ATOM 0 HG12 ILE A 11 12.596 -9.609 -4.153 1.00 0.48 H new ATOM 0 HG13 ILE A 11 12.298 -8.498 -2.832 1.00 0.48 H new ATOM 0 HG21 ILE A 11 13.255 -8.271 -5.930 1.00 0.64 H new ATOM 0 HG22 ILE A 11 12.559 -6.656 -6.202 1.00 0.64 H new ATOM 0 HG23 ILE A 11 13.503 -6.982 -4.729 1.00 0.64 H new ATOM 0 HD11 ILE A 11 10.950 -10.523 -2.594 1.00 0.99 H new ATOM 0 HD12 ILE A 11 9.906 -9.103 -2.844 1.00 0.99 H new ATOM 0 HD13 ILE A 11 10.209 -10.233 -4.185 1.00 0.99 H new ATOM 899 N ILE A 12 10.556 -5.049 -5.851 1.00 0.45 N ATOM 900 CA ILE A 12 10.812 -3.820 -6.591 1.00 0.46 C ATOM 901 C ILE A 12 10.343 -2.609 -5.780 1.00 0.44 C ATOM 902 O ILE A 12 11.006 -1.570 -5.759 1.00 0.44 O ATOM 903 CB ILE A 12 10.120 -3.827 -7.974 1.00 0.53 C ATOM 904 CG1 ILE A 12 10.390 -5.151 -8.695 1.00 0.54 C ATOM 905 CG2 ILE A 12 10.614 -2.658 -8.817 1.00 0.58 C ATOM 906 CD1 ILE A 12 9.681 -5.282 -10.028 1.00 0.61 C ATOM 0 H ILE A 12 9.858 -5.662 -6.273 1.00 0.45 H new ATOM 0 HA ILE A 12 11.887 -3.754 -6.757 1.00 0.46 H new ATOM 0 HB ILE A 12 9.045 -3.722 -7.827 1.00 0.53 H new ATOM 0 HG12 ILE A 12 11.463 -5.254 -8.854 1.00 0.54 H new ATOM 0 HG13 ILE A 12 10.083 -5.974 -8.049 1.00 0.54 H new ATOM 0 HG21 ILE A 12 10.119 -2.675 -9.788 1.00 0.58 H new ATOM 0 HG22 ILE A 12 10.385 -1.721 -8.309 1.00 0.58 H new ATOM 0 HG23 ILE A 12 11.692 -2.741 -8.958 1.00 0.58 H new ATOM 0 HD11 ILE A 12 9.923 -6.246 -10.476 1.00 0.61 H new ATOM 0 HD12 ILE A 12 8.604 -5.213 -9.876 1.00 0.61 H new ATOM 0 HD13 ILE A 12 10.006 -4.482 -10.693 1.00 0.61 H new ATOM 918 N ALA A 13 9.204 -2.767 -5.102 1.00 0.44 N ATOM 919 CA ALA A 13 8.637 -1.706 -4.263 1.00 0.45 C ATOM 920 C ALA A 13 9.620 -1.304 -3.182 1.00 0.39 C ATOM 921 O ALA A 13 9.941 -0.133 -3.002 1.00 0.41 O ATOM 922 CB ALA A 13 7.346 -2.180 -3.594 1.00 0.49 C ATOM 0 H ALA A 13 8.652 -3.625 -5.117 1.00 0.44 H new ATOM 0 HA ALA A 13 8.425 -0.852 -4.906 1.00 0.45 H new ATOM 0 HB1 ALA A 13 6.941 -1.379 -2.976 1.00 0.49 H new ATOM 0 HB2 ALA A 13 6.618 -2.452 -4.359 1.00 0.49 H new ATOM 0 HB3 ALA A 13 7.557 -3.048 -2.970 1.00 0.49 H new ATOM 928 N VAL A 14 10.090 -2.322 -2.486 1.00 0.34 N ATOM 929 CA VAL A 14 11.020 -2.190 -1.377 1.00 0.29 C ATOM 930 C VAL A 14 12.299 -1.443 -1.763 1.00 0.29 C ATOM 931 O VAL A 14 12.801 -0.629 -0.988 1.00 0.31 O ATOM 932 CB VAL A 14 11.333 -3.604 -0.832 1.00 0.26 C ATOM 933 CG1 VAL A 14 12.569 -3.638 0.059 1.00 0.25 C ATOM 934 CG2 VAL A 14 10.122 -4.132 -0.081 1.00 0.27 C ATOM 0 H VAL A 14 9.830 -3.289 -2.680 1.00 0.34 H new ATOM 0 HA VAL A 14 10.554 -1.585 -0.600 1.00 0.29 H new ATOM 0 HB VAL A 14 11.554 -4.244 -1.686 1.00 0.26 H new ATOM 0 HG11 VAL A 14 12.737 -4.656 0.410 1.00 0.25 H new ATOM 0 HG12 VAL A 14 13.437 -3.303 -0.509 1.00 0.25 H new ATOM 0 HG13 VAL A 14 12.419 -2.979 0.914 1.00 0.25 H new ATOM 0 HG21 VAL A 14 10.339 -5.128 0.304 1.00 0.27 H new ATOM 0 HG22 VAL A 14 9.889 -3.465 0.749 1.00 0.27 H new ATOM 0 HG23 VAL A 14 9.268 -4.182 -0.757 1.00 0.27 H new ATOM 944 N ILE A 15 12.803 -1.685 -2.963 1.00 0.30 N ATOM 945 CA ILE A 15 14.027 -1.029 -3.413 1.00 0.32 C ATOM 946 C ILE A 15 13.752 0.400 -3.897 1.00 0.33 C ATOM 947 O ILE A 15 14.562 1.306 -3.696 1.00 0.34 O ATOM 948 CB ILE A 15 14.713 -1.824 -4.542 1.00 0.37 C ATOM 949 CG1 ILE A 15 14.865 -3.298 -4.144 1.00 0.36 C ATOM 950 CG2 ILE A 15 16.070 -1.214 -4.857 1.00 0.41 C ATOM 951 CD1 ILE A 15 15.349 -4.184 -5.271 1.00 0.42 C ATOM 0 H ILE A 15 12.389 -2.325 -3.641 1.00 0.30 H new ATOM 0 HA ILE A 15 14.694 -0.990 -2.552 1.00 0.32 H new ATOM 0 HB ILE A 15 14.091 -1.774 -5.435 1.00 0.37 H new ATOM 0 HG12 ILE A 15 15.564 -3.370 -3.311 1.00 0.36 H new ATOM 0 HG13 ILE A 15 13.904 -3.670 -3.788 1.00 0.36 H new ATOM 0 HG21 ILE A 15 16.548 -1.782 -5.656 1.00 0.41 H new ATOM 0 HG22 ILE A 15 15.939 -0.180 -5.175 1.00 0.41 H new ATOM 0 HG23 ILE A 15 16.697 -1.243 -3.966 1.00 0.41 H new ATOM 0 HD11 ILE A 15 15.433 -5.211 -4.916 1.00 0.42 H new ATOM 0 HD12 ILE A 15 14.639 -4.142 -6.097 1.00 0.42 H new ATOM 0 HD13 ILE A 15 16.324 -3.838 -5.613 1.00 0.42 H new ATOM 963 N VAL A 16 12.596 0.589 -4.518 1.00 0.35 N ATOM 964 CA VAL A 16 12.194 1.890 -5.056 1.00 0.38 C ATOM 965 C VAL A 16 12.176 2.986 -3.982 1.00 0.36 C ATOM 966 O VAL A 16 12.499 4.145 -4.257 1.00 0.38 O ATOM 967 CB VAL A 16 10.800 1.784 -5.744 1.00 0.44 C ATOM 968 CG1 VAL A 16 9.871 2.930 -5.355 1.00 0.51 C ATOM 969 CG2 VAL A 16 10.961 1.728 -7.256 1.00 0.47 C ATOM 0 H VAL A 16 11.909 -0.150 -4.665 1.00 0.35 H new ATOM 0 HA VAL A 16 12.941 2.177 -5.796 1.00 0.38 H new ATOM 0 HB VAL A 16 10.338 0.861 -5.393 1.00 0.44 H new ATOM 0 HG11 VAL A 16 8.913 2.810 -5.861 1.00 0.51 H new ATOM 0 HG12 VAL A 16 9.715 2.922 -4.276 1.00 0.51 H new ATOM 0 HG13 VAL A 16 10.320 3.878 -5.650 1.00 0.51 H new ATOM 0 HG21 VAL A 16 9.979 1.654 -7.724 1.00 0.47 H new ATOM 0 HG22 VAL A 16 11.461 2.633 -7.602 1.00 0.47 H new ATOM 0 HG23 VAL A 16 11.558 0.857 -7.526 1.00 0.47 H new ATOM 979 N VAL A 17 11.836 2.612 -2.755 1.00 0.33 N ATOM 980 CA VAL A 17 11.742 3.573 -1.661 1.00 0.33 C ATOM 981 C VAL A 17 13.077 4.237 -1.319 1.00 0.33 C ATOM 982 O VAL A 17 13.121 5.454 -1.111 1.00 0.37 O ATOM 983 CB VAL A 17 11.143 2.946 -0.399 1.00 0.33 C ATOM 984 CG1 VAL A 17 10.600 4.023 0.520 1.00 0.36 C ATOM 985 CG2 VAL A 17 10.057 1.939 -0.744 1.00 0.35 C ATOM 0 H VAL A 17 11.621 1.650 -2.491 1.00 0.33 H new ATOM 0 HA VAL A 17 11.072 4.351 -2.027 1.00 0.33 H new ATOM 0 HB VAL A 17 11.938 2.412 0.121 1.00 0.33 H new ATOM 0 HG11 VAL A 17 10.178 3.561 1.412 1.00 0.36 H new ATOM 0 HG12 VAL A 17 11.407 4.697 0.808 1.00 0.36 H new ATOM 0 HG13 VAL A 17 9.824 4.587 0.002 1.00 0.36 H new ATOM 0 HG21 VAL A 17 9.652 1.512 0.173 1.00 0.35 H new ATOM 0 HG22 VAL A 17 9.260 2.438 -1.295 1.00 0.35 H new ATOM 0 HG23 VAL A 17 10.480 1.144 -1.358 1.00 0.35 H new ATOM 995 N LEU A 18 14.159 3.470 -1.270 1.00 0.31 N ATOM 996 CA LEU A 18 15.463 4.050 -0.941 1.00 0.34 C ATOM 997 C LEU A 18 16.038 4.779 -2.144 1.00 0.36 C ATOM 998 O LEU A 18 16.824 5.711 -1.998 1.00 0.40 O ATOM 999 CB LEU A 18 16.467 2.997 -0.442 1.00 0.34 C ATOM 1000 CG LEU A 18 16.569 1.713 -1.269 1.00 0.33 C ATOM 1001 CD1 LEU A 18 18.013 1.267 -1.362 1.00 0.39 C ATOM 1002 CD2 LEU A 18 15.731 0.605 -0.656 1.00 0.30 C ATOM 0 H LEU A 18 14.166 2.466 -1.449 1.00 0.31 H new ATOM 0 HA LEU A 18 15.297 4.756 -0.128 1.00 0.34 H new ATOM 0 HB2 LEU A 18 17.454 3.457 -0.402 1.00 0.34 H new ATOM 0 HB3 LEU A 18 16.200 2.726 0.579 1.00 0.34 H new ATOM 0 HG LEU A 18 16.189 1.923 -2.269 1.00 0.33 H new ATOM 0 HD11 LEU A 18 18.074 0.353 -1.952 1.00 0.39 H new ATOM 0 HD12 LEU A 18 18.605 2.048 -1.840 1.00 0.39 H new ATOM 0 HD13 LEU A 18 18.401 1.079 -0.361 1.00 0.39 H new ATOM 0 HD21 LEU A 18 15.820 -0.297 -1.262 1.00 0.30 H new ATOM 0 HD22 LEU A 18 16.083 0.399 0.355 1.00 0.30 H new ATOM 0 HD23 LEU A 18 14.687 0.916 -0.620 1.00 0.30 H new ATOM 1014 N LEU A 19 15.623 4.356 -3.331 1.00 0.36 N ATOM 1015 CA LEU A 19 16.103 4.958 -4.569 1.00 0.40 C ATOM 1016 C LEU A 19 15.700 6.422 -4.679 1.00 0.41 C ATOM 1017 O LEU A 19 16.461 7.246 -5.183 1.00 0.45 O ATOM 1018 CB LEU A 19 15.559 4.198 -5.780 1.00 0.41 C ATOM 1019 CG LEU A 19 16.092 2.776 -5.952 1.00 0.44 C ATOM 1020 CD1 LEU A 19 15.855 2.287 -7.370 1.00 0.47 C ATOM 1021 CD2 LEU A 19 17.568 2.706 -5.599 1.00 0.47 C ATOM 0 H LEU A 19 14.954 3.597 -3.463 1.00 0.36 H new ATOM 0 HA LEU A 19 17.191 4.899 -4.552 1.00 0.40 H new ATOM 0 HB2 LEU A 19 14.473 4.154 -5.703 1.00 0.41 H new ATOM 0 HB3 LEU A 19 15.792 4.767 -6.680 1.00 0.41 H new ATOM 0 HG LEU A 19 15.550 2.123 -5.268 1.00 0.44 H new ATOM 0 HD11 LEU A 19 16.241 1.273 -7.474 1.00 0.47 H new ATOM 0 HD12 LEU A 19 14.786 2.292 -7.583 1.00 0.47 H new ATOM 0 HD13 LEU A 19 16.368 2.944 -8.072 1.00 0.47 H new ATOM 0 HD21 LEU A 19 17.925 1.684 -5.729 1.00 0.47 H new ATOM 0 HD22 LEU A 19 18.130 3.373 -6.252 1.00 0.47 H new ATOM 0 HD23 LEU A 19 17.709 3.010 -4.562 1.00 0.47 H new ATOM 1033 N PHE A 20 14.505 6.745 -4.202 1.00 0.40 N ATOM 1034 CA PHE A 20 14.007 8.110 -4.290 1.00 0.44 C ATOM 1035 C PHE A 20 14.026 8.804 -2.936 1.00 0.47 C ATOM 1036 O PHE A 20 13.418 9.858 -2.769 1.00 0.51 O ATOM 1037 CB PHE A 20 12.589 8.122 -4.870 1.00 0.45 C ATOM 1038 CG PHE A 20 12.438 7.287 -6.112 1.00 0.46 C ATOM 1039 CD1 PHE A 20 13.314 7.435 -7.177 1.00 1.06 C ATOM 1040 CD2 PHE A 20 11.423 6.352 -6.207 1.00 1.07 C ATOM 1041 CE1 PHE A 20 13.179 6.662 -8.314 1.00 1.12 C ATOM 1042 CE2 PHE A 20 11.281 5.577 -7.342 1.00 1.05 C ATOM 1043 CZ PHE A 20 12.160 5.732 -8.397 1.00 0.53 C ATOM 0 H PHE A 20 13.868 6.086 -3.754 1.00 0.40 H new ATOM 0 HA PHE A 20 14.671 8.661 -4.955 1.00 0.44 H new ATOM 0 HB2 PHE A 20 11.893 7.761 -4.113 1.00 0.45 H new ATOM 0 HB3 PHE A 20 12.307 9.150 -5.097 1.00 0.45 H new ATOM 0 HD1 PHE A 20 14.110 8.162 -7.117 1.00 1.06 H new ATOM 0 HD2 PHE A 20 10.734 6.226 -5.385 1.00 1.07 H new ATOM 0 HE1 PHE A 20 13.868 6.784 -9.136 1.00 1.12 H new ATOM 0 HE2 PHE A 20 10.484 4.851 -7.405 1.00 1.05 H new ATOM 0 HZ PHE A 20 12.051 5.127 -9.285 1.00 0.53 H new ATOM 1053 N GLY A 21 14.717 8.203 -1.974 1.00 0.49 N ATOM 1054 CA GLY A 21 14.821 8.783 -0.640 1.00 0.55 C ATOM 1055 C GLY A 21 13.478 9.148 -0.024 1.00 0.56 C ATOM 1056 O GLY A 21 13.361 10.182 0.629 1.00 0.65 O ATOM 0 H GLY A 21 15.211 7.319 -2.092 1.00 0.49 H new ATOM 0 HA2 GLY A 21 15.331 8.076 0.015 1.00 0.55 H new ATOM 0 HA3 GLY A 21 15.443 9.677 -0.690 1.00 0.55 H new ATOM 1060 N THR A 22 12.466 8.306 -0.268 1.00 0.54 N ATOM 1061 CA THR A 22 11.100 8.483 0.263 1.00 0.61 C ATOM 1062 C THR A 22 10.408 9.762 -0.237 1.00 0.71 C ATOM 1063 O THR A 22 9.247 10.013 0.099 1.00 1.26 O ATOM 1064 CB THR A 22 11.066 8.465 1.816 1.00 0.71 C ATOM 1065 OG1 THR A 22 11.557 9.694 2.357 1.00 1.46 O ATOM 1066 CG2 THR A 22 11.894 7.318 2.366 1.00 0.60 C ATOM 0 H THR A 22 12.569 7.472 -0.846 1.00 0.54 H new ATOM 0 HA THR A 22 10.546 7.627 -0.122 1.00 0.61 H new ATOM 0 HB THR A 22 10.025 8.333 2.112 1.00 0.71 H new ATOM 0 HG1 THR A 22 12.024 10.196 1.657 1.00 1.46 H new ATOM 0 HG21 THR A 22 11.853 7.329 3.455 1.00 0.60 H new ATOM 0 HG22 THR A 22 11.496 6.373 1.997 1.00 0.60 H new ATOM 0 HG23 THR A 22 12.929 7.428 2.041 1.00 0.60 H new ATOM 1074 N LYS A 23 11.098 10.542 -1.060 1.00 0.38 N ATOM 1075 CA LYS A 23 10.553 11.794 -1.571 1.00 0.45 C ATOM 1076 C LYS A 23 9.328 11.570 -2.453 1.00 0.47 C ATOM 1077 O LYS A 23 8.322 12.268 -2.311 1.00 0.81 O ATOM 1078 CB LYS A 23 11.623 12.551 -2.358 1.00 0.49 C ATOM 1079 CG LYS A 23 12.823 12.964 -1.521 1.00 0.56 C ATOM 1080 CD LYS A 23 14.037 13.249 -2.392 1.00 0.77 C ATOM 1081 CE LYS A 23 13.795 14.412 -3.344 1.00 0.99 C ATOM 1082 NZ LYS A 23 14.841 14.486 -4.392 1.00 1.33 N ATOM 0 H LYS A 23 12.040 10.329 -1.389 1.00 0.38 H new ATOM 0 HA LYS A 23 10.239 12.385 -0.711 1.00 0.45 H new ATOM 0 HB2 LYS A 23 11.965 11.925 -3.183 1.00 0.49 H new ATOM 0 HB3 LYS A 23 11.175 13.442 -2.798 1.00 0.49 H new ATOM 0 HG2 LYS A 23 12.574 13.852 -0.939 1.00 0.56 H new ATOM 0 HG3 LYS A 23 13.062 12.173 -0.810 1.00 0.56 H new ATOM 0 HD2 LYS A 23 14.894 13.472 -1.757 1.00 0.77 H new ATOM 0 HD3 LYS A 23 14.289 12.357 -2.966 1.00 0.77 H new ATOM 0 HE2 LYS A 23 12.817 14.302 -3.812 1.00 0.99 H new ATOM 0 HE3 LYS A 23 13.776 15.345 -2.782 1.00 0.99 H new ATOM 0 HZ1 LYS A 23 14.645 15.289 -5.022 1.00 1.33 H new ATOM 0 HZ2 LYS A 23 15.771 14.616 -3.945 1.00 1.33 H new ATOM 0 HZ3 LYS A 23 14.842 13.605 -4.944 1.00 1.33 H new ATOM 1096 N LYS A 24 9.408 10.599 -3.356 1.00 0.42 N ATOM 1097 CA LYS A 24 8.302 10.317 -4.271 1.00 0.45 C ATOM 1098 C LYS A 24 7.061 9.800 -3.544 1.00 0.47 C ATOM 1099 O LYS A 24 5.975 10.340 -3.721 1.00 0.77 O ATOM 1100 CB LYS A 24 8.718 9.307 -5.342 1.00 0.50 C ATOM 1101 CG LYS A 24 9.733 9.838 -6.347 1.00 0.58 C ATOM 1102 CD LYS A 24 9.201 11.024 -7.148 1.00 0.73 C ATOM 1103 CE LYS A 24 8.041 10.634 -8.056 1.00 1.14 C ATOM 1104 NZ LYS A 24 7.596 11.772 -8.908 1.00 1.36 N ATOM 0 H LYS A 24 10.221 9.995 -3.476 1.00 0.42 H new ATOM 0 HA LYS A 24 8.048 11.266 -4.743 1.00 0.45 H new ATOM 0 HB2 LYS A 24 9.136 8.428 -4.852 1.00 0.50 H new ATOM 0 HB3 LYS A 24 7.829 8.980 -5.880 1.00 0.50 H new ATOM 0 HG2 LYS A 24 10.639 10.138 -5.819 1.00 0.58 H new ATOM 0 HG3 LYS A 24 10.013 9.038 -7.032 1.00 0.58 H new ATOM 0 HD2 LYS A 24 8.876 11.806 -6.462 1.00 0.73 H new ATOM 0 HD3 LYS A 24 10.007 11.443 -7.751 1.00 0.73 H new ATOM 0 HE2 LYS A 24 8.341 9.801 -8.691 1.00 1.14 H new ATOM 0 HE3 LYS A 24 7.205 10.287 -7.449 1.00 1.14 H new ATOM 0 HZ1 LYS A 24 6.806 11.466 -9.511 1.00 1.36 H new ATOM 0 HZ2 LYS A 24 7.285 12.558 -8.302 1.00 1.36 H new ATOM 0 HZ3 LYS A 24 8.386 12.087 -9.506 1.00 1.36 H new ATOM 1118 N LEU A 25 7.223 8.770 -2.717 1.00 0.40 N ATOM 1119 CA LEU A 25 6.085 8.183 -1.997 1.00 0.41 C ATOM 1120 C LEU A 25 5.358 9.237 -1.170 1.00 0.36 C ATOM 1121 O LEU A 25 4.135 9.334 -1.208 1.00 0.42 O ATOM 1122 CB LEU A 25 6.531 7.041 -1.074 1.00 0.50 C ATOM 1123 CG LEU A 25 7.427 5.974 -1.707 1.00 0.41 C ATOM 1124 CD1 LEU A 25 8.874 6.244 -1.356 1.00 0.66 C ATOM 1125 CD2 LEU A 25 7.028 4.581 -1.240 1.00 0.43 C ATOM 0 H LEU A 25 8.121 8.325 -2.527 1.00 0.40 H new ATOM 0 HA LEU A 25 5.407 7.783 -2.751 1.00 0.41 H new ATOM 0 HB2 LEU A 25 7.060 7.473 -0.225 1.00 0.50 H new ATOM 0 HB3 LEU A 25 5.641 6.551 -0.679 1.00 0.50 H new ATOM 0 HG LEU A 25 7.304 6.019 -2.789 1.00 0.41 H new ATOM 0 HD11 LEU A 25 9.507 5.481 -1.809 1.00 0.66 H new ATOM 0 HD12 LEU A 25 9.163 7.225 -1.732 1.00 0.66 H new ATOM 0 HD13 LEU A 25 8.996 6.220 -0.273 1.00 0.66 H new ATOM 0 HD21 LEU A 25 7.680 3.841 -1.704 1.00 0.43 H new ATOM 0 HD22 LEU A 25 7.123 4.519 -0.156 1.00 0.43 H new ATOM 0 HD23 LEU A 25 5.995 4.384 -1.525 1.00 0.43 H new ATOM 1137 N GLY A 26 6.128 10.032 -0.437 1.00 0.39 N ATOM 1138 CA GLY A 26 5.558 11.062 0.410 1.00 0.48 C ATOM 1139 C GLY A 26 4.657 12.034 -0.333 1.00 0.46 C ATOM 1140 O GLY A 26 3.678 12.531 0.226 1.00 0.69 O ATOM 0 H GLY A 26 7.146 9.980 -0.415 1.00 0.39 H new ATOM 0 HA2 GLY A 26 4.987 10.588 1.208 1.00 0.48 H new ATOM 0 HA3 GLY A 26 6.366 11.619 0.884 1.00 0.48 H new ATOM 1144 N SER A 27 4.979 12.308 -1.592 1.00 0.37 N ATOM 1145 CA SER A 27 4.200 13.269 -2.365 1.00 0.40 C ATOM 1146 C SER A 27 3.160 12.622 -3.294 1.00 0.41 C ATOM 1147 O SER A 27 1.960 12.683 -3.028 1.00 0.45 O ATOM 1148 CB SER A 27 5.164 14.127 -3.179 1.00 0.49 C ATOM 1149 OG SER A 27 6.239 13.341 -3.677 1.00 0.78 O ATOM 0 H SER A 27 5.761 11.886 -2.093 1.00 0.37 H new ATOM 0 HA SER A 27 3.630 13.871 -1.657 1.00 0.40 H new ATOM 0 HB2 SER A 27 4.632 14.592 -4.009 1.00 0.49 H new ATOM 0 HB3 SER A 27 5.554 14.933 -2.558 1.00 0.49 H new ATOM 0 HG SER A 27 6.903 13.208 -2.968 1.00 0.78 H new ATOM 1155 N ILE A 28 3.626 11.988 -4.376 1.00 0.44 N ATOM 1156 CA ILE A 28 2.724 11.364 -5.349 1.00 0.52 C ATOM 1157 C ILE A 28 1.912 10.247 -4.705 1.00 0.51 C ATOM 1158 O ILE A 28 0.755 10.028 -5.060 1.00 0.55 O ATOM 1159 CB ILE A 28 3.480 10.806 -6.588 1.00 0.65 C ATOM 1160 CG1 ILE A 28 2.485 10.296 -7.649 1.00 1.36 C ATOM 1161 CG2 ILE A 28 4.428 9.695 -6.174 1.00 0.85 C ATOM 1162 CD1 ILE A 28 3.140 9.574 -8.814 1.00 1.52 C ATOM 0 H ILE A 28 4.617 11.894 -4.599 1.00 0.44 H new ATOM 0 HA ILE A 28 2.052 12.151 -5.691 1.00 0.52 H new ATOM 0 HB ILE A 28 4.063 11.616 -7.026 1.00 0.65 H new ATOM 0 HG12 ILE A 28 1.774 9.622 -7.171 1.00 1.36 H new ATOM 0 HG13 ILE A 28 1.914 11.142 -8.033 1.00 1.36 H new ATOM 0 HG21 ILE A 28 4.949 9.315 -7.053 1.00 0.85 H new ATOM 0 HG22 ILE A 28 5.155 10.084 -5.461 1.00 0.85 H new ATOM 0 HG23 ILE A 28 3.862 8.887 -5.711 1.00 0.85 H new ATOM 0 HD11 ILE A 28 2.374 9.246 -9.516 1.00 1.52 H new ATOM 0 HD12 ILE A 28 3.830 10.250 -9.319 1.00 1.52 H new ATOM 0 HD13 ILE A 28 3.687 8.707 -8.444 1.00 1.52 H new ATOM 1174 N GLY A 29 2.517 9.553 -3.751 1.00 0.50 N ATOM 1175 CA GLY A 29 1.825 8.481 -3.071 1.00 0.52 C ATOM 1176 C GLY A 29 0.634 8.986 -2.300 1.00 0.46 C ATOM 1177 O GLY A 29 -0.443 8.409 -2.370 1.00 0.51 O ATOM 0 H GLY A 29 3.474 9.714 -3.437 1.00 0.50 H new ATOM 0 HA2 GLY A 29 1.499 7.739 -3.800 1.00 0.52 H new ATOM 0 HA3 GLY A 29 2.512 7.978 -2.390 1.00 0.52 H new ATOM 1181 N SER A 30 0.824 10.086 -1.591 1.00 0.41 N ATOM 1182 CA SER A 30 -0.236 10.678 -0.793 1.00 0.41 C ATOM 1183 C SER A 30 -1.417 11.079 -1.675 1.00 0.39 C ATOM 1184 O SER A 30 -2.562 10.723 -1.396 1.00 0.42 O ATOM 1185 CB SER A 30 0.317 11.883 -0.030 1.00 0.43 C ATOM 1186 OG SER A 30 -0.716 12.736 0.427 1.00 0.95 O ATOM 0 H SER A 30 1.710 10.590 -1.552 1.00 0.41 H new ATOM 0 HA SER A 30 -0.600 9.943 -0.075 1.00 0.41 H new ATOM 0 HB2 SER A 30 0.905 11.536 0.820 1.00 0.43 H new ATOM 0 HB3 SER A 30 0.992 12.444 -0.677 1.00 0.43 H new ATOM 0 HG SER A 30 -1.537 12.217 0.553 1.00 0.95 H new ATOM 1192 N ASP A 31 -1.126 11.789 -2.760 1.00 0.38 N ATOM 1193 CA ASP A 31 -2.160 12.233 -3.689 1.00 0.42 C ATOM 1194 C ASP A 31 -2.920 11.038 -4.252 1.00 0.41 C ATOM 1195 O ASP A 31 -4.147 11.062 -4.371 1.00 0.43 O ATOM 1196 CB ASP A 31 -1.539 13.048 -4.821 1.00 0.47 C ATOM 1197 CG ASP A 31 -2.568 13.854 -5.588 1.00 0.82 C ATOM 1198 OD1 ASP A 31 -2.989 14.915 -5.080 1.00 1.28 O ATOM 1199 OD2 ASP A 31 -2.947 13.435 -6.700 1.00 1.29 O ATOM 0 H ASP A 31 -0.180 12.070 -3.018 1.00 0.38 H new ATOM 0 HA ASP A 31 -2.864 12.866 -3.148 1.00 0.42 H new ATOM 0 HB2 ASP A 31 -0.788 13.722 -4.409 1.00 0.47 H new ATOM 0 HB3 ASP A 31 -1.023 12.376 -5.507 1.00 0.47 H new ATOM 1204 N LEU A 32 -2.186 9.977 -4.569 1.00 0.39 N ATOM 1205 CA LEU A 32 -2.790 8.767 -5.101 1.00 0.41 C ATOM 1206 C LEU A 32 -3.557 8.035 -4.010 1.00 0.38 C ATOM 1207 O LEU A 32 -4.577 7.394 -4.270 1.00 0.40 O ATOM 1208 CB LEU A 32 -1.722 7.854 -5.701 1.00 0.44 C ATOM 1209 CG LEU A 32 -1.904 7.568 -7.187 1.00 0.64 C ATOM 1210 CD1 LEU A 32 -1.507 8.779 -8.018 1.00 1.09 C ATOM 1211 CD2 LEU A 32 -1.109 6.340 -7.607 1.00 1.28 C ATOM 0 H LEU A 32 -1.172 9.933 -4.466 1.00 0.39 H new ATOM 0 HA LEU A 32 -3.488 9.048 -5.890 1.00 0.41 H new ATOM 0 HB2 LEU A 32 -0.744 8.309 -5.548 1.00 0.44 H new ATOM 0 HB3 LEU A 32 -1.722 6.909 -5.158 1.00 0.44 H new ATOM 0 HG LEU A 32 -2.959 7.361 -7.366 1.00 0.64 H new ATOM 0 HD11 LEU A 32 -1.644 8.555 -9.076 1.00 1.09 H new ATOM 0 HD12 LEU A 32 -2.131 9.629 -7.743 1.00 1.09 H new ATOM 0 HD13 LEU A 32 -0.461 9.022 -7.831 1.00 1.09 H new ATOM 0 HD21 LEU A 32 -1.256 6.158 -8.672 1.00 1.28 H new ATOM 0 HD22 LEU A 32 -0.050 6.507 -7.411 1.00 1.28 H new ATOM 0 HD23 LEU A 32 -1.451 5.474 -7.040 1.00 1.28 H new ATOM 1223 N GLY A 33 -3.067 8.160 -2.791 1.00 0.37 N ATOM 1224 CA GLY A 33 -3.695 7.520 -1.659 1.00 0.38 C ATOM 1225 C GLY A 33 -5.057 8.091 -1.374 1.00 0.35 C ATOM 1226 O GLY A 33 -6.025 7.352 -1.213 1.00 0.37 O ATOM 0 H GLY A 33 -2.233 8.701 -2.563 1.00 0.37 H new ATOM 0 HA2 GLY A 33 -3.783 6.450 -1.850 1.00 0.38 H new ATOM 0 HA3 GLY A 33 -3.062 7.636 -0.779 1.00 0.38 H new ATOM 1230 N ALA A 34 -5.141 9.408 -1.343 1.00 0.35 N ATOM 1231 CA ALA A 34 -6.405 10.072 -1.085 1.00 0.37 C ATOM 1232 C ALA A 34 -7.374 9.856 -2.246 1.00 0.37 C ATOM 1233 O ALA A 34 -8.574 10.115 -2.133 1.00 0.43 O ATOM 1234 CB ALA A 34 -6.185 11.547 -0.820 1.00 0.41 C ATOM 0 H ALA A 34 -4.352 10.037 -1.493 1.00 0.35 H new ATOM 0 HA ALA A 34 -6.852 9.634 -0.193 1.00 0.37 H new ATOM 0 HB1 ALA A 34 -7.144 12.029 -0.629 1.00 0.41 H new ATOM 0 HB2 ALA A 34 -5.538 11.668 0.049 1.00 0.41 H new ATOM 0 HB3 ALA A 34 -5.715 12.007 -1.689 1.00 0.41 H new ATOM 1240 N SER A 35 -6.847 9.378 -3.364 1.00 0.33 N ATOM 1241 CA SER A 35 -7.659 9.083 -4.532 1.00 0.35 C ATOM 1242 C SER A 35 -8.203 7.657 -4.430 1.00 0.34 C ATOM 1243 O SER A 35 -9.235 7.325 -5.014 1.00 0.38 O ATOM 1244 CB SER A 35 -6.833 9.257 -5.810 1.00 0.38 C ATOM 1245 OG SER A 35 -6.364 10.588 -5.929 1.00 0.41 O ATOM 0 H SER A 35 -5.853 9.186 -3.485 1.00 0.33 H new ATOM 0 HA SER A 35 -8.498 9.778 -4.573 1.00 0.35 H new ATOM 0 HB2 SER A 35 -5.988 8.569 -5.799 1.00 0.38 H new ATOM 0 HB3 SER A 35 -7.440 9.002 -6.678 1.00 0.38 H new ATOM 0 HG SER A 35 -5.508 10.676 -5.460 1.00 0.41 H new ATOM 1251 N ILE A 36 -7.511 6.829 -3.647 1.00 0.35 N ATOM 1252 CA ILE A 36 -7.900 5.439 -3.450 1.00 0.39 C ATOM 1253 C ILE A 36 -9.176 5.350 -2.617 1.00 0.33 C ATOM 1254 O ILE A 36 -10.010 4.470 -2.828 1.00 0.36 O ATOM 1255 CB ILE A 36 -6.749 4.613 -2.792 1.00 0.48 C ATOM 1256 CG1 ILE A 36 -6.635 3.242 -3.461 1.00 0.55 C ATOM 1257 CG2 ILE A 36 -6.931 4.449 -1.279 1.00 0.53 C ATOM 1258 CD1 ILE A 36 -6.127 3.296 -4.887 1.00 0.94 C ATOM 0 H ILE A 36 -6.672 7.103 -3.136 1.00 0.35 H new ATOM 0 HA ILE A 36 -8.098 5.006 -4.431 1.00 0.39 H new ATOM 0 HB ILE A 36 -5.826 5.173 -2.944 1.00 0.48 H new ATOM 0 HG12 ILE A 36 -5.967 2.615 -2.871 1.00 0.55 H new ATOM 0 HG13 ILE A 36 -7.613 2.762 -3.452 1.00 0.55 H new ATOM 0 HG21 ILE A 36 -6.103 3.867 -0.874 1.00 0.53 H new ATOM 0 HG22 ILE A 36 -6.950 5.431 -0.806 1.00 0.53 H new ATOM 0 HG23 ILE A 36 -7.870 3.932 -1.079 1.00 0.53 H new ATOM 0 HD11 ILE A 36 -6.074 2.286 -5.293 1.00 0.94 H new ATOM 0 HD12 ILE A 36 -6.807 3.895 -5.493 1.00 0.94 H new ATOM 0 HD13 ILE A 36 -5.134 3.746 -4.903 1.00 0.94 H new ATOM 1270 N LYS A 37 -9.336 6.292 -1.694 1.00 0.31 N ATOM 1271 CA LYS A 37 -10.512 6.316 -0.838 1.00 0.34 C ATOM 1272 C LYS A 37 -11.702 6.890 -1.592 1.00 0.31 C ATOM 1273 O LYS A 37 -12.847 6.666 -1.221 1.00 0.46 O ATOM 1274 CB LYS A 37 -10.248 7.135 0.430 1.00 0.40 C ATOM 1275 CG LYS A 37 -9.874 8.577 0.150 1.00 0.39 C ATOM 1276 CD LYS A 37 -9.994 9.450 1.386 1.00 0.47 C ATOM 1277 CE LYS A 37 -9.619 10.884 1.061 1.00 0.51 C ATOM 1278 NZ LYS A 37 -10.182 11.850 2.037 1.00 0.68 N ATOM 0 H LYS A 37 -8.669 7.044 -1.521 1.00 0.31 H new ATOM 0 HA LYS A 37 -10.739 5.291 -0.544 1.00 0.34 H new ATOM 0 HB2 LYS A 37 -11.138 7.114 1.059 1.00 0.40 H new ATOM 0 HB3 LYS A 37 -9.446 6.663 0.998 1.00 0.40 H new ATOM 0 HG2 LYS A 37 -8.851 8.619 -0.225 1.00 0.39 H new ATOM 0 HG3 LYS A 37 -10.518 8.972 -0.636 1.00 0.39 H new ATOM 0 HD2 LYS A 37 -11.014 9.412 1.768 1.00 0.47 H new ATOM 0 HD3 LYS A 37 -9.345 9.067 2.173 1.00 0.47 H new ATOM 0 HE2 LYS A 37 -8.533 10.978 1.045 1.00 0.51 H new ATOM 0 HE3 LYS A 37 -9.975 11.132 0.061 1.00 0.51 H new ATOM 0 HZ1 LYS A 37 -9.899 12.815 1.773 1.00 0.68 H new ATOM 0 HZ2 LYS A 37 -11.220 11.781 2.035 1.00 0.68 H new ATOM 0 HZ3 LYS A 37 -9.823 11.632 2.988 1.00 0.68 H new ATOM 1292 N GLY A 38 -11.416 7.618 -2.667 1.00 0.27 N ATOM 1293 CA GLY A 38 -12.465 8.221 -3.461 1.00 0.32 C ATOM 1294 C GLY A 38 -12.949 7.305 -4.566 1.00 0.31 C ATOM 1295 O GLY A 38 -14.140 7.259 -4.867 1.00 0.34 O ATOM 0 H GLY A 38 -10.470 7.800 -3.002 1.00 0.27 H new ATOM 0 HA2 GLY A 38 -13.303 8.481 -2.814 1.00 0.32 H new ATOM 0 HA3 GLY A 38 -12.099 9.150 -3.897 1.00 0.32 H new ATOM 1299 N PHE A 39 -12.024 6.566 -5.165 1.00 0.39 N ATOM 1300 CA PHE A 39 -12.358 5.653 -6.250 1.00 0.45 C ATOM 1301 C PHE A 39 -13.191 4.475 -5.745 1.00 0.35 C ATOM 1302 O PHE A 39 -14.114 4.024 -6.419 1.00 0.43 O ATOM 1303 CB PHE A 39 -11.069 5.183 -6.953 1.00 0.64 C ATOM 1304 CG PHE A 39 -10.797 3.702 -6.896 1.00 0.66 C ATOM 1305 CD1 PHE A 39 -11.292 2.849 -7.875 1.00 0.93 C ATOM 1306 CD2 PHE A 39 -10.027 3.168 -5.876 1.00 1.01 C ATOM 1307 CE1 PHE A 39 -11.022 1.494 -7.830 1.00 1.30 C ATOM 1308 CE2 PHE A 39 -9.757 1.814 -5.824 1.00 1.39 C ATOM 1309 CZ PHE A 39 -10.254 0.975 -6.804 1.00 1.48 C ATOM 0 H PHE A 39 -11.035 6.581 -4.917 1.00 0.39 H new ATOM 0 HA PHE A 39 -12.971 6.182 -6.980 1.00 0.45 H new ATOM 0 HB2 PHE A 39 -11.117 5.485 -7.999 1.00 0.64 H new ATOM 0 HB3 PHE A 39 -10.223 5.707 -6.508 1.00 0.64 H new ATOM 0 HD1 PHE A 39 -11.893 3.248 -8.678 1.00 0.93 H new ATOM 0 HD2 PHE A 39 -9.632 3.819 -5.110 1.00 1.01 H new ATOM 0 HE1 PHE A 39 -11.411 0.840 -8.597 1.00 1.30 H new ATOM 0 HE2 PHE A 39 -9.159 1.412 -5.020 1.00 1.39 H new ATOM 0 HZ PHE A 39 -10.043 -0.084 -6.768 1.00 1.48 H new ATOM 1319 N LYS A 40 -12.882 3.990 -4.547 1.00 0.27 N ATOM 1320 CA LYS A 40 -13.622 2.868 -3.984 1.00 0.30 C ATOM 1321 C LYS A 40 -14.833 3.372 -3.196 1.00 0.32 C ATOM 1322 O LYS A 40 -15.649 2.585 -2.718 1.00 0.47 O ATOM 1323 CB LYS A 40 -12.718 1.993 -3.108 1.00 0.41 C ATOM 1324 CG LYS A 40 -13.148 0.530 -3.066 1.00 0.86 C ATOM 1325 CD LYS A 40 -12.224 -0.360 -3.891 1.00 0.94 C ATOM 1326 CE LYS A 40 -12.656 -1.817 -3.815 1.00 1.41 C ATOM 1327 NZ LYS A 40 -11.600 -2.746 -4.304 1.00 1.48 N ATOM 0 H LYS A 40 -12.134 4.351 -3.954 1.00 0.27 H new ATOM 0 HA LYS A 40 -13.981 2.248 -4.805 1.00 0.30 H new ATOM 0 HB2 LYS A 40 -11.695 2.053 -3.480 1.00 0.41 H new ATOM 0 HB3 LYS A 40 -12.712 2.391 -2.093 1.00 0.41 H new ATOM 0 HG2 LYS A 40 -13.157 0.184 -2.032 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -14.168 0.441 -3.441 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -12.228 -0.030 -4.930 1.00 0.94 H new ATOM 0 HD3 LYS A 40 -11.201 -0.261 -3.529 1.00 0.94 H new ATOM 0 HE2 LYS A 40 -12.907 -2.066 -2.784 1.00 1.41 H new ATOM 0 HE3 LYS A 40 -13.561 -1.956 -4.406 1.00 1.41 H new ATOM 0 HZ1 LYS A 40 -11.940 -3.726 -4.233 1.00 1.48 H new ATOM 0 HZ2 LYS A 40 -11.378 -2.528 -5.296 1.00 1.48 H new ATOM 0 HZ3 LYS A 40 -10.744 -2.634 -3.725 1.00 1.48 H new ATOM 1341 N LYS A 41 -14.943 4.692 -3.064 1.00 0.28 N ATOM 1342 CA LYS A 41 -16.057 5.299 -2.343 1.00 0.35 C ATOM 1343 C LYS A 41 -17.326 5.234 -3.182 1.00 0.38 C ATOM 1344 O LYS A 41 -18.434 5.401 -2.671 1.00 0.40 O ATOM 1345 CB LYS A 41 -15.748 6.759 -1.998 1.00 0.46 C ATOM 1346 CG LYS A 41 -16.464 7.259 -0.750 1.00 0.56 C ATOM 1347 CD LYS A 41 -15.821 6.706 0.513 1.00 0.82 C ATOM 1348 CE LYS A 41 -16.541 7.180 1.766 1.00 1.03 C ATOM 1349 NZ LYS A 41 -17.998 6.886 1.720 1.00 1.15 N ATOM 0 H LYS A 41 -14.274 5.360 -3.447 1.00 0.28 H new ATOM 0 HA LYS A 41 -16.206 4.741 -1.418 1.00 0.35 H new ATOM 0 HB2 LYS A 41 -14.673 6.870 -1.858 1.00 0.46 H new ATOM 0 HB3 LYS A 41 -16.026 7.389 -2.843 1.00 0.46 H new ATOM 0 HG2 LYS A 41 -16.440 8.348 -0.726 1.00 0.56 H new ATOM 0 HG3 LYS A 41 -17.513 6.964 -0.786 1.00 0.56 H new ATOM 0 HD2 LYS A 41 -15.830 5.617 0.479 1.00 0.82 H new ATOM 0 HD3 LYS A 41 -14.777 7.015 0.555 1.00 0.82 H new ATOM 0 HE2 LYS A 41 -16.102 6.698 2.640 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -16.392 8.253 1.885 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -18.329 6.620 2.670 1.00 1.15 H new ATOM 0 HZ2 LYS A 41 -18.513 7.730 1.398 1.00 1.15 H new ATOM 0 HZ3 LYS A 41 -18.173 6.101 1.060 1.00 1.15 H new ATOM 1363 N ALA A 42 -17.152 5.004 -4.476 1.00 0.44 N ATOM 1364 CA ALA A 42 -18.276 4.921 -5.393 1.00 0.54 C ATOM 1365 C ALA A 42 -18.608 3.475 -5.732 1.00 0.55 C ATOM 1366 O ALA A 42 -19.776 3.087 -5.752 1.00 0.75 O ATOM 1367 CB ALA A 42 -17.982 5.706 -6.664 1.00 0.61 C ATOM 0 H ALA A 42 -16.240 4.872 -4.914 1.00 0.44 H new ATOM 0 HA ALA A 42 -19.143 5.358 -4.899 1.00 0.54 H new ATOM 0 HB1 ALA A 42 -18.833 5.634 -7.341 1.00 0.61 H new ATOM 0 HB2 ALA A 42 -17.805 6.752 -6.413 1.00 0.61 H new ATOM 0 HB3 ALA A 42 -17.097 5.295 -7.149 1.00 0.61 H new ATOM 1373 N MET A 43 -17.583 2.677 -6.000 1.00 0.51 N ATOM 1374 CA MET A 43 -17.791 1.277 -6.346 1.00 0.58 C ATOM 1375 C MET A 43 -17.778 0.397 -5.101 1.00 0.58 C ATOM 1376 O MET A 43 -16.869 -0.401 -4.891 1.00 0.83 O ATOM 1377 CB MET A 43 -16.749 0.797 -7.363 1.00 0.76 C ATOM 1378 CG MET A 43 -15.304 0.994 -6.938 1.00 0.88 C ATOM 1379 SD MET A 43 -14.152 0.042 -7.948 1.00 0.98 S ATOM 1380 CE MET A 43 -14.553 -1.631 -7.441 1.00 1.01 C ATOM 0 H MET A 43 -16.607 2.972 -5.985 1.00 0.51 H new ATOM 0 HA MET A 43 -18.775 1.193 -6.808 1.00 0.58 H new ATOM 0 HB2 MET A 43 -16.914 -0.263 -7.558 1.00 0.76 H new ATOM 0 HB3 MET A 43 -16.911 1.323 -8.304 1.00 0.76 H new ATOM 0 HG2 MET A 43 -15.050 2.052 -7.003 1.00 0.88 H new ATOM 0 HG3 MET A 43 -15.193 0.703 -5.893 1.00 0.88 H new ATOM 0 HE1 MET A 43 -13.710 -2.288 -7.654 1.00 1.01 H new ATOM 0 HE2 MET A 43 -14.764 -1.646 -6.372 1.00 1.01 H new ATOM 0 HE3 MET A 43 -15.430 -1.977 -7.989 1.00 1.01 H new ATOM 1390 N SER A 44 -18.795 0.560 -4.276 1.00 0.62 N ATOM 1391 CA SER A 44 -18.916 -0.219 -3.059 1.00 0.76 C ATOM 1392 C SER A 44 -20.157 -1.104 -3.118 1.00 0.65 C ATOM 1393 O SER A 44 -21.282 -0.615 -2.990 1.00 0.73 O ATOM 1394 CB SER A 44 -18.986 0.720 -1.856 1.00 1.02 C ATOM 1395 OG SER A 44 -19.838 1.822 -2.127 1.00 1.20 O ATOM 0 H SER A 44 -19.551 1.227 -4.428 1.00 0.62 H new ATOM 0 HA SER A 44 -18.042 -0.863 -2.957 1.00 0.76 H new ATOM 0 HB2 SER A 44 -19.353 0.176 -0.985 1.00 1.02 H new ATOM 0 HB3 SER A 44 -17.987 1.079 -1.610 1.00 1.02 H new ATOM 0 HG SER A 44 -20.686 1.497 -2.496 1.00 1.20 H new ATOM 1401 N ASP A 45 -19.952 -2.398 -3.324 1.00 0.70 N ATOM 1402 CA ASP A 45 -21.059 -3.344 -3.407 1.00 0.76 C ATOM 1403 C ASP A 45 -20.895 -4.428 -2.351 1.00 0.90 C ATOM 1404 O ASP A 45 -21.563 -5.460 -2.391 1.00 1.22 O ATOM 1405 CB ASP A 45 -21.134 -3.968 -4.805 1.00 0.95 C ATOM 1406 CG ASP A 45 -22.474 -4.633 -5.080 1.00 1.19 C ATOM 1407 OD1 ASP A 45 -23.519 -4.026 -4.761 1.00 1.63 O ATOM 1408 OD2 ASP A 45 -22.484 -5.754 -5.629 1.00 1.63 O ATOM 0 H ASP A 45 -19.029 -2.818 -3.437 1.00 0.70 H new ATOM 0 HA ASP A 45 -21.990 -2.808 -3.223 1.00 0.76 H new ATOM 0 HB2 ASP A 45 -20.956 -3.196 -5.553 1.00 0.95 H new ATOM 0 HB3 ASP A 45 -20.338 -4.705 -4.913 1.00 0.95 H new ATOM 1413 N ASP A 46 -19.988 -4.172 -1.408 1.00 1.34 N ATOM 1414 CA ASP A 46 -19.705 -5.098 -0.312 1.00 1.66 C ATOM 1415 C ASP A 46 -19.018 -6.349 -0.842 1.00 1.26 C ATOM 1416 O ASP A 46 -19.475 -7.474 -0.621 1.00 1.63 O ATOM 1417 CB ASP A 46 -20.990 -5.463 0.446 1.00 2.20 C ATOM 1418 CG ASP A 46 -20.820 -5.395 1.949 1.00 3.24 C ATOM 1419 OD1 ASP A 46 -20.407 -4.328 2.452 1.00 3.62 O ATOM 1420 OD2 ASP A 46 -21.117 -6.399 2.629 1.00 4.04 O ATOM 0 H ASP A 46 -19.430 -3.319 -1.383 1.00 1.34 H new ATOM 0 HA ASP A 46 -19.033 -4.603 0.389 1.00 1.66 H new ATOM 0 HB2 ASP A 46 -21.790 -4.787 0.144 1.00 2.20 H new ATOM 0 HB3 ASP A 46 -21.300 -6.469 0.164 1.00 2.20 H new ATOM 1425 N GLU A 47 -17.925 -6.135 -1.561 1.00 1.46 N ATOM 1426 CA GLU A 47 -17.154 -7.227 -2.139 1.00 1.73 C ATOM 1427 C GLU A 47 -16.285 -7.901 -1.081 1.00 2.07 C ATOM 1428 O GLU A 47 -16.503 -9.098 -0.804 1.00 2.59 O ATOM 1429 CB GLU A 47 -16.271 -6.708 -3.277 1.00 2.46 C ATOM 1430 CG GLU A 47 -16.971 -5.725 -4.204 1.00 2.93 C ATOM 1431 CD GLU A 47 -16.685 -4.277 -3.848 1.00 3.75 C ATOM 1432 OE1 GLU A 47 -15.632 -3.759 -4.271 1.00 4.30 O ATOM 1433 OE2 GLU A 47 -17.523 -3.655 -3.154 1.00 4.20 O ATOM 0 H GLU A 47 -17.550 -5.207 -1.759 1.00 1.46 H new ATOM 0 HA GLU A 47 -17.855 -7.963 -2.533 1.00 1.73 H new ATOM 0 HB2 GLU A 47 -15.392 -6.226 -2.850 1.00 2.46 H new ATOM 0 HB3 GLU A 47 -15.916 -7.556 -3.864 1.00 2.46 H new ATOM 0 HG2 GLU A 47 -16.655 -5.912 -5.230 1.00 2.93 H new ATOM 0 HG3 GLU A 47 -18.046 -5.899 -4.165 1.00 2.93 H new TER 1440 GLU A 47