USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 825 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 55 SER OG : rot 30:sc= -0.763 USER MOD Set 1.2: B 478 MET CE :methyl -125:sc= -0.0593 (180deg=-1.22) USER MOD Set 2.1: A 43 SER OG : rot 180:sc= 0.0195 USER MOD Set 2.2: A 111 TYR OH : rot 180:sc= -3.05! USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= -2.36 USER MOD Set 3.2: A 39 THR OG1 : rot 170:sc= -4.83! USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -1.4! C(o=-1.4!,f=-2.7!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -150:sc= -0.207 (180deg=-0.507) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0927 USER MOD Single : A 19 ASN : amide:sc= -1.99 X(o=-2,f=-1.8) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 3:sc= 0.235 USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.972 K(o=-0.97,f=-2.1) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0103) USER MOD Single : A 49 GLN : amide:sc= -3.26! C(o=-3.3!,f=-7.5!) USER MOD Single : A 51 THR OG1 : rot -160:sc= -0.516 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000707) USER MOD Single : A 58 MET CE :methyl -112:sc= -9.64! (180deg=-15.6!) USER MOD Single : A 59 MET CE :methyl 157:sc= -7.16! (180deg=-8.58!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS :FLIP no HE2:sc= -2.55 F(o=-4!,f=-2.6) USER MOD Single : A 88 MET CE :methyl -134:sc= -5.11! (180deg=-10.2!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -2.27 K(o=-2.3,f=-4.8!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 151:sc= -0.216 (180deg=-0.869) USER MOD Single : A 99 ASN : amide:sc= -4.56! C(o=-4.6!,f=-5.4!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 173:sc= 0 (180deg=-0.0244) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 109 SER OG : rot 92:sc= 0.103 USER MOD Single : A 112 LYS NZ :NH3+ -134:sc= -0.44 (180deg=-2.45!) USER MOD Single : B 477 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 480 THR OG1 : rot 14:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -11.899 14.386 10.612 1.00 0.00 N ATOM 2 CA PRO A 1 -11.422 13.209 9.836 1.00 0.00 C ATOM 3 C PRO A 1 -9.897 13.155 9.767 1.00 0.00 C ATOM 4 O PRO A 1 -9.294 13.588 8.785 1.00 0.00 O ATOM 5 CB PRO A 1 -12.017 13.310 8.434 1.00 0.00 C ATOM 6 CG PRO A 1 -12.679 14.647 8.409 1.00 0.00 C ATOM 7 CD PRO A 1 -13.001 14.989 9.844 1.00 0.00 C ATOM 0 H2 PRO A 1 -11.144 15.058 10.749 1.00 0.00 H new ATOM 0 H3 PRO A 1 -12.218 14.103 11.539 1.00 0.00 H new ATOM 0 HA PRO A 1 -11.743 12.292 10.330 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -11.245 13.234 7.668 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -12.732 12.509 8.247 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -12.022 15.397 7.969 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -13.585 14.621 7.803 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -13.049 16.067 9.996 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -13.966 14.581 10.144 1.00 0.00 H new ATOM 17 N SER A 2 -9.281 12.619 10.816 1.00 0.00 N ATOM 18 CA SER A 2 -7.828 12.508 10.874 1.00 0.00 C ATOM 19 C SER A 2 -7.373 11.102 10.496 1.00 0.00 C ATOM 20 O SER A 2 -6.281 10.916 9.960 1.00 0.00 O ATOM 21 CB SER A 2 -7.325 12.860 12.275 1.00 0.00 C ATOM 22 OG SER A 2 -7.207 14.263 12.438 1.00 0.00 O ATOM 0 H SER A 2 -9.765 12.255 11.637 1.00 0.00 H new ATOM 0 HA SER A 2 -7.406 13.211 10.156 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.011 12.461 13.022 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.357 12.388 12.446 1.00 0.00 H new ATOM 0 HG SER A 2 -6.885 14.461 13.342 1.00 0.00 H new ATOM 28 N HIS A 3 -8.218 10.115 10.779 1.00 0.00 N ATOM 29 CA HIS A 3 -7.902 8.723 10.468 1.00 0.00 C ATOM 30 C HIS A 3 -8.868 8.154 9.440 1.00 0.00 C ATOM 31 O HIS A 3 -9.027 6.941 9.316 1.00 0.00 O ATOM 32 CB HIS A 3 -7.893 7.851 11.731 1.00 0.00 C ATOM 33 CG HIS A 3 -8.319 8.565 12.979 1.00 0.00 C ATOM 34 ND1 HIS A 3 -7.764 9.758 13.392 1.00 0.00 N ATOM 35 CD2 HIS A 3 -9.253 8.246 13.906 1.00 0.00 C ATOM 36 CE1 HIS A 3 -8.337 10.141 14.520 1.00 0.00 C ATOM 37 NE2 HIS A 3 -9.244 9.241 14.852 1.00 0.00 N ATOM 0 H HIS A 3 -9.126 10.252 11.223 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.899 8.710 10.041 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -8.551 6.997 11.573 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.888 7.456 11.878 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.887 7.372 13.902 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.103 11.037 15.075 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -9.841 9.279 15.678 1.00 0.00 H new ATOM 46 N SER A 4 -9.507 9.041 8.708 1.00 0.00 N ATOM 47 CA SER A 4 -10.459 8.641 7.681 1.00 0.00 C ATOM 48 C SER A 4 -10.256 9.461 6.417 1.00 0.00 C ATOM 49 O SER A 4 -9.886 10.633 6.476 1.00 0.00 O ATOM 50 CB SER A 4 -11.892 8.800 8.187 1.00 0.00 C ATOM 51 OG SER A 4 -12.058 10.027 8.877 1.00 0.00 O ATOM 0 H SER A 4 -9.387 10.050 8.802 1.00 0.00 H new ATOM 0 HA SER A 4 -10.287 7.591 7.447 1.00 0.00 H new ATOM 0 HB2 SER A 4 -12.584 8.756 7.346 1.00 0.00 H new ATOM 0 HB3 SER A 4 -12.141 7.971 8.849 1.00 0.00 H new ATOM 0 HG SER A 4 -12.984 10.104 9.189 1.00 0.00 H new ATOM 57 N GLY A 5 -10.493 8.833 5.274 1.00 0.00 N ATOM 58 CA GLY A 5 -10.324 9.516 4.011 1.00 0.00 C ATOM 59 C GLY A 5 -10.932 8.747 2.861 1.00 0.00 C ATOM 60 O GLY A 5 -11.391 7.622 3.036 1.00 0.00 O ATOM 0 H GLY A 5 -10.799 7.863 5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.783 10.503 4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.262 9.669 3.822 1.00 0.00 H new ATOM 64 N ALA A 6 -10.935 9.353 1.683 1.00 0.00 N ATOM 65 CA ALA A 6 -11.491 8.714 0.500 1.00 0.00 C ATOM 66 C ALA A 6 -10.402 8.420 -0.525 1.00 0.00 C ATOM 67 O ALA A 6 -9.672 9.317 -0.947 1.00 0.00 O ATOM 68 CB ALA A 6 -12.573 9.588 -0.115 1.00 0.00 C ATOM 0 H ALA A 6 -10.558 10.287 1.521 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.936 7.766 0.804 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.979 9.096 -0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -13.370 9.745 0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.146 10.550 -0.399 1.00 0.00 H new ATOM 74 N ALA A 7 -10.304 7.158 -0.923 1.00 0.00 N ATOM 75 CA ALA A 7 -9.311 6.739 -1.902 1.00 0.00 C ATOM 76 C ALA A 7 -9.834 5.576 -2.730 1.00 0.00 C ATOM 77 O ALA A 7 -10.825 4.941 -2.371 1.00 0.00 O ATOM 78 CB ALA A 7 -8.006 6.359 -1.221 1.00 0.00 C ATOM 0 H ALA A 7 -10.902 6.406 -0.581 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.117 7.580 -2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.280 6.049 -1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.618 7.218 -0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.183 5.537 -0.528 1.00 0.00 H new ATOM 84 N ILE A 8 -9.170 5.307 -3.844 1.00 0.00 N ATOM 85 CA ILE A 8 -9.579 4.228 -4.725 1.00 0.00 C ATOM 86 C ILE A 8 -8.810 2.940 -4.427 1.00 0.00 C ATOM 87 O ILE A 8 -7.579 2.915 -4.448 1.00 0.00 O ATOM 88 CB ILE A 8 -9.398 4.629 -6.213 1.00 0.00 C ATOM 89 CG1 ILE A 8 -10.658 4.280 -7.014 1.00 0.00 C ATOM 90 CG2 ILE A 8 -8.165 3.971 -6.823 1.00 0.00 C ATOM 91 CD1 ILE A 8 -10.417 3.335 -8.175 1.00 0.00 C ATOM 0 H ILE A 8 -8.347 5.821 -4.158 1.00 0.00 H new ATOM 0 HA ILE A 8 -10.637 4.041 -4.540 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.245 5.707 -6.256 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.389 3.832 -6.342 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.099 5.201 -7.396 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.069 4.274 -7.866 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.277 4.281 -6.272 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.266 2.887 -6.768 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -11.359 3.141 -8.687 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.711 3.787 -8.872 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.007 2.397 -7.801 1.00 0.00 H new ATOM 103 N PHE A 9 -9.548 1.869 -4.159 1.00 0.00 N ATOM 104 CA PHE A 9 -8.938 0.575 -3.874 1.00 0.00 C ATOM 105 C PHE A 9 -9.392 -0.461 -4.893 1.00 0.00 C ATOM 106 O PHE A 9 -10.557 -0.484 -5.292 1.00 0.00 O ATOM 107 CB PHE A 9 -9.288 0.104 -2.462 1.00 0.00 C ATOM 108 CG PHE A 9 -8.658 -1.213 -2.105 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.284 -1.378 -2.170 1.00 0.00 C ATOM 110 CD2 PHE A 9 -9.439 -2.287 -1.709 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.700 -2.588 -1.846 1.00 0.00 C ATOM 112 CE2 PHE A 9 -8.861 -3.500 -1.384 1.00 0.00 C ATOM 113 CZ PHE A 9 -7.490 -3.650 -1.452 1.00 0.00 C ATOM 0 H PHE A 9 -10.568 1.870 -4.133 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.856 0.691 -3.941 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.968 0.859 -1.744 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.371 0.018 -2.372 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.662 -0.551 -2.478 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -10.512 -2.175 -1.654 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.628 -2.703 -1.901 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.481 -4.329 -1.077 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.036 -4.596 -1.197 1.00 0.00 H new ATOM 123 N GLU A 10 -8.466 -1.313 -5.318 1.00 0.00 N ATOM 124 CA GLU A 10 -8.776 -2.345 -6.298 1.00 0.00 C ATOM 125 C GLU A 10 -9.345 -1.725 -7.571 1.00 0.00 C ATOM 126 O GLU A 10 -10.068 -2.378 -8.323 1.00 0.00 O ATOM 127 CB GLU A 10 -9.772 -3.350 -5.717 1.00 0.00 C ATOM 128 CG GLU A 10 -9.111 -4.520 -5.006 1.00 0.00 C ATOM 129 CD GLU A 10 -9.927 -5.795 -5.099 1.00 0.00 C ATOM 130 OE1 GLU A 10 -10.920 -5.920 -4.351 1.00 0.00 O ATOM 131 OE2 GLU A 10 -9.572 -6.668 -5.918 1.00 0.00 O ATOM 0 H GLU A 10 -7.497 -1.309 -5.000 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.852 -2.867 -6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.429 -2.834 -5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.401 -3.732 -6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.125 -4.692 -5.437 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.961 -4.265 -3.957 1.00 0.00 H new ATOM 138 N LYS A 11 -9.011 -0.457 -7.806 1.00 0.00 N ATOM 139 CA LYS A 11 -9.482 0.255 -8.981 1.00 0.00 C ATOM 140 C LYS A 11 -10.992 0.432 -8.938 1.00 0.00 C ATOM 141 O LYS A 11 -11.687 0.231 -9.934 1.00 0.00 O ATOM 142 CB LYS A 11 -9.051 -0.481 -10.247 1.00 0.00 C ATOM 143 CG LYS A 11 -7.629 -1.017 -10.168 1.00 0.00 C ATOM 144 CD LYS A 11 -6.613 0.105 -10.002 1.00 0.00 C ATOM 145 CE LYS A 11 -6.716 1.126 -11.125 1.00 0.00 C ATOM 146 NZ LYS A 11 -6.838 0.476 -12.459 1.00 0.00 N ATOM 0 H LYS A 11 -8.413 0.096 -7.192 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.034 1.249 -8.990 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.736 -1.309 -10.430 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.132 0.194 -11.099 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.547 -1.709 -9.330 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.402 -1.582 -11.072 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.771 0.600 -9.044 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.607 -0.314 -9.982 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.580 1.768 -10.954 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.835 1.768 -11.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.412 1.088 -13.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.345 -0.439 -12.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.843 0.324 -12.681 1.00 0.00 H new ATOM 160 N VAL A 12 -11.486 0.820 -7.769 1.00 0.00 N ATOM 161 CA VAL A 12 -12.906 1.042 -7.566 1.00 0.00 C ATOM 162 C VAL A 12 -13.125 2.174 -6.563 1.00 0.00 C ATOM 163 O VAL A 12 -12.919 2.000 -5.361 1.00 0.00 O ATOM 164 CB VAL A 12 -13.590 -0.249 -7.072 1.00 0.00 C ATOM 165 CG1 VAL A 12 -14.905 0.049 -6.363 1.00 0.00 C ATOM 166 CG2 VAL A 12 -13.812 -1.207 -8.233 1.00 0.00 C ATOM 0 H VAL A 12 -10.914 0.988 -6.941 1.00 0.00 H new ATOM 0 HA VAL A 12 -13.352 1.326 -8.519 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.927 -0.722 -6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.358 -0.884 -6.029 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.717 0.690 -5.501 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -15.582 0.555 -7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -14.295 -2.114 -7.869 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.447 -0.732 -8.980 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.852 -1.463 -8.682 1.00 0.00 H new ATOM 176 N SER A 13 -13.528 3.339 -7.071 1.00 0.00 N ATOM 177 CA SER A 13 -13.764 4.517 -6.235 1.00 0.00 C ATOM 178 C SER A 13 -14.478 4.156 -4.936 1.00 0.00 C ATOM 179 O SER A 13 -15.620 3.699 -4.948 1.00 0.00 O ATOM 180 CB SER A 13 -14.582 5.551 -7.008 1.00 0.00 C ATOM 181 OG SER A 13 -14.220 5.567 -8.378 1.00 0.00 O ATOM 0 H SER A 13 -13.699 3.493 -8.065 1.00 0.00 H new ATOM 0 HA SER A 13 -12.793 4.938 -5.975 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.644 5.325 -6.912 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.426 6.539 -6.576 1.00 0.00 H new ATOM 0 HG SER A 13 -14.759 6.235 -8.851 1.00 0.00 H new ATOM 187 N GLY A 14 -13.793 4.367 -3.815 1.00 0.00 N ATOM 188 CA GLY A 14 -14.378 4.060 -2.523 1.00 0.00 C ATOM 189 C GLY A 14 -13.903 4.988 -1.422 1.00 0.00 C ATOM 190 O GLY A 14 -13.542 6.137 -1.679 1.00 0.00 O ATOM 0 H GLY A 14 -12.846 4.744 -3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -15.464 4.120 -2.598 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.134 3.032 -2.255 1.00 0.00 H new ATOM 194 N ILE A 15 -13.914 4.487 -0.191 1.00 0.00 N ATOM 195 CA ILE A 15 -13.493 5.274 0.963 1.00 0.00 C ATOM 196 C ILE A 15 -12.580 4.477 1.894 1.00 0.00 C ATOM 197 O ILE A 15 -12.696 3.256 1.997 1.00 0.00 O ATOM 198 CB ILE A 15 -14.704 5.783 1.764 1.00 0.00 C ATOM 199 CG1 ILE A 15 -15.598 6.662 0.882 1.00 0.00 C ATOM 200 CG2 ILE A 15 -14.232 6.546 2.991 1.00 0.00 C ATOM 201 CD1 ILE A 15 -15.029 8.038 0.607 1.00 0.00 C ATOM 0 H ILE A 15 -14.211 3.537 0.034 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.936 6.124 0.569 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.294 4.929 2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -15.767 6.154 -0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.570 6.771 1.363 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.096 6.903 3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.636 5.887 3.622 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -13.625 7.396 2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -15.720 8.598 -0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -14.886 8.568 1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -14.071 7.940 0.097 1.00 0.00 H new ATOM 213 N ILE A 16 -11.685 5.184 2.582 1.00 0.00 N ATOM 214 CA ILE A 16 -10.755 4.553 3.514 1.00 0.00 C ATOM 215 C ILE A 16 -11.031 4.980 4.954 1.00 0.00 C ATOM 216 O ILE A 16 -11.466 6.102 5.211 1.00 0.00 O ATOM 217 CB ILE A 16 -9.276 4.886 3.205 1.00 0.00 C ATOM 218 CG1 ILE A 16 -9.085 5.368 1.763 1.00 0.00 C ATOM 219 CG2 ILE A 16 -8.396 3.678 3.483 1.00 0.00 C ATOM 220 CD1 ILE A 16 -8.308 6.662 1.673 1.00 0.00 C ATOM 0 H ILE A 16 -11.585 6.197 2.510 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.915 3.482 3.393 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.979 5.704 3.862 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.565 4.598 1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -10.062 5.503 1.298 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.358 3.925 3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.486 3.396 4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.712 2.845 2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.205 6.953 0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.839 7.444 2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.319 6.524 2.110 1.00 0.00 H new ATOM 232 N ALA A 17 -10.751 4.077 5.885 1.00 0.00 N ATOM 233 CA ALA A 17 -10.937 4.341 7.305 1.00 0.00 C ATOM 234 C ALA A 17 -9.846 3.645 8.112 1.00 0.00 C ATOM 235 O ALA A 17 -9.576 2.464 7.905 1.00 0.00 O ATOM 236 CB ALA A 17 -12.314 3.878 7.757 1.00 0.00 C ATOM 0 H ALA A 17 -10.390 3.146 5.678 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.866 5.415 7.475 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.436 4.083 8.821 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -13.080 4.412 7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -12.414 2.807 7.580 1.00 0.00 H new ATOM 242 N ILE A 18 -9.212 4.375 9.024 1.00 0.00 N ATOM 243 CA ILE A 18 -8.149 3.807 9.838 1.00 0.00 C ATOM 244 C ILE A 18 -8.708 3.289 11.163 1.00 0.00 C ATOM 245 O ILE A 18 -9.268 4.048 11.954 1.00 0.00 O ATOM 246 CB ILE A 18 -7.026 4.851 10.086 1.00 0.00 C ATOM 247 CG1 ILE A 18 -5.759 4.468 9.317 1.00 0.00 C ATOM 248 CG2 ILE A 18 -6.725 5.008 11.568 1.00 0.00 C ATOM 249 CD1 ILE A 18 -5.605 5.205 8.002 1.00 0.00 C ATOM 0 H ILE A 18 -9.416 5.356 9.216 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.715 2.967 9.296 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.382 5.814 9.718 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.889 4.670 9.942 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.771 3.395 9.124 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.935 5.746 11.702 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.623 5.339 12.089 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.401 4.051 11.977 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.686 4.885 7.511 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.457 4.983 7.359 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.561 6.278 8.189 1.00 0.00 H new ATOM 261 N ASN A 19 -8.560 1.988 11.391 1.00 0.00 N ATOM 262 CA ASN A 19 -9.054 1.363 12.604 1.00 0.00 C ATOM 263 C ASN A 19 -7.911 0.994 13.541 1.00 0.00 C ATOM 264 O ASN A 19 -7.331 -0.087 13.434 1.00 0.00 O ATOM 265 CB ASN A 19 -9.874 0.117 12.265 1.00 0.00 C ATOM 266 CG ASN A 19 -10.848 -0.252 13.366 1.00 0.00 C ATOM 267 OD1 ASN A 19 -11.935 0.317 13.466 1.00 0.00 O ATOM 268 ND2 ASN A 19 -10.462 -1.210 14.201 1.00 0.00 N ATOM 0 H ASN A 19 -8.099 1.347 10.746 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.693 2.084 13.114 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.424 0.288 11.340 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -9.200 -0.720 12.085 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.076 -1.501 14.962 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.552 -1.655 14.081 1.00 0.00 H new ATOM 275 N GLU A 20 -7.595 1.895 14.464 1.00 0.00 N ATOM 276 CA GLU A 20 -6.527 1.660 15.426 1.00 0.00 C ATOM 277 C GLU A 20 -7.091 1.117 16.736 1.00 0.00 C ATOM 278 O GLU A 20 -6.527 1.346 17.806 1.00 0.00 O ATOM 279 CB GLU A 20 -5.747 2.950 15.687 1.00 0.00 C ATOM 280 CG GLU A 20 -5.278 3.644 14.418 1.00 0.00 C ATOM 281 CD GLU A 20 -5.675 5.107 14.371 1.00 0.00 C ATOM 282 OE1 GLU A 20 -6.862 5.408 14.617 1.00 0.00 O ATOM 283 OE2 GLU A 20 -4.799 5.951 14.088 1.00 0.00 O ATOM 0 H GLU A 20 -8.064 2.795 14.566 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.849 0.918 15.005 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.375 3.636 16.256 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.881 2.722 16.308 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.194 3.563 14.344 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.696 3.130 13.552 1.00 0.00 H new ATOM 290 N ASP A 21 -8.202 0.390 16.643 1.00 0.00 N ATOM 291 CA ASP A 21 -8.832 -0.191 17.820 1.00 0.00 C ATOM 292 C ASP A 21 -8.043 -1.405 18.283 1.00 0.00 C ATOM 293 O ASP A 21 -7.928 -1.670 19.480 1.00 0.00 O ATOM 294 CB ASP A 21 -10.276 -0.590 17.511 1.00 0.00 C ATOM 295 CG ASP A 21 -11.094 0.569 16.975 1.00 0.00 C ATOM 296 OD1 ASP A 21 -10.854 0.982 15.821 1.00 0.00 O ATOM 297 OD2 ASP A 21 -11.974 1.065 17.710 1.00 0.00 O ATOM 0 H ASP A 21 -8.682 0.191 15.765 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.841 0.554 18.616 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.278 -1.400 16.782 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.746 -0.974 18.416 1.00 0.00 H new ATOM 302 N VAL A 22 -7.487 -2.132 17.320 1.00 0.00 N ATOM 303 CA VAL A 22 -6.691 -3.310 17.618 1.00 0.00 C ATOM 304 C VAL A 22 -5.409 -2.906 18.343 1.00 0.00 C ATOM 305 O VAL A 22 -5.087 -1.720 18.414 1.00 0.00 O ATOM 306 CB VAL A 22 -6.348 -4.088 16.326 1.00 0.00 C ATOM 307 CG1 VAL A 22 -5.321 -3.337 15.487 1.00 0.00 C ATOM 308 CG2 VAL A 22 -5.861 -5.491 16.655 1.00 0.00 C ATOM 0 H VAL A 22 -7.575 -1.923 16.326 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.277 -3.964 18.264 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.259 -4.175 15.735 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.100 -3.908 14.585 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.721 -2.362 15.210 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.407 -3.203 16.065 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.625 -6.020 15.732 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.967 -5.430 17.276 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.641 -6.030 17.193 1.00 0.00 H new ATOM 318 N SER A 23 -4.681 -3.882 18.886 1.00 0.00 N ATOM 319 CA SER A 23 -3.439 -3.592 19.604 1.00 0.00 C ATOM 320 C SER A 23 -2.598 -2.565 18.838 1.00 0.00 C ATOM 321 O SER A 23 -2.490 -1.414 19.261 1.00 0.00 O ATOM 322 CB SER A 23 -2.641 -4.875 19.846 1.00 0.00 C ATOM 323 OG SER A 23 -2.906 -5.406 21.133 1.00 0.00 O ATOM 0 H SER A 23 -4.926 -4.871 18.844 1.00 0.00 H new ATOM 0 HA SER A 23 -3.697 -3.165 20.573 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.894 -5.613 19.085 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.575 -4.668 19.747 1.00 0.00 H new ATOM 0 HG SER A 23 -2.385 -6.226 21.262 1.00 0.00 H new ATOM 329 N PRO A 24 -2.006 -2.951 17.691 1.00 0.00 N ATOM 330 CA PRO A 24 -1.204 -2.032 16.886 1.00 0.00 C ATOM 331 C PRO A 24 -2.086 -1.035 16.123 1.00 0.00 C ATOM 332 O PRO A 24 -2.457 0.008 16.662 1.00 0.00 O ATOM 333 CB PRO A 24 -0.452 -2.965 15.934 1.00 0.00 C ATOM 334 CG PRO A 24 -1.349 -4.144 15.777 1.00 0.00 C ATOM 335 CD PRO A 24 -2.079 -4.295 17.085 1.00 0.00 C ATOM 0 HA PRO A 24 -0.538 -1.412 17.485 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.260 -2.483 14.976 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.515 -3.255 16.345 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.050 -3.993 14.956 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.775 -5.041 15.546 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.112 -4.608 16.932 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.609 -5.046 17.720 1.00 0.00 H new ATOM 343 N ALA A 25 -2.425 -1.358 14.873 1.00 0.00 N ATOM 344 CA ALA A 25 -3.263 -0.496 14.052 1.00 0.00 C ATOM 345 C ALA A 25 -3.438 -1.088 12.657 1.00 0.00 C ATOM 346 O ALA A 25 -2.615 -1.885 12.206 1.00 0.00 O ATOM 347 CB ALA A 25 -2.656 0.888 13.965 1.00 0.00 C ATOM 0 H ALA A 25 -2.128 -2.217 14.409 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.246 -0.421 14.517 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.290 1.525 13.349 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.576 1.314 14.965 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.664 0.823 13.518 1.00 0.00 H new ATOM 353 N GLU A 26 -4.510 -0.698 11.976 1.00 0.00 N ATOM 354 CA GLU A 26 -4.779 -1.198 10.637 1.00 0.00 C ATOM 355 C GLU A 26 -5.572 -0.186 9.812 1.00 0.00 C ATOM 356 O GLU A 26 -6.138 0.766 10.349 1.00 0.00 O ATOM 357 CB GLU A 26 -5.543 -2.522 10.707 1.00 0.00 C ATOM 358 CG GLU A 26 -5.014 -3.476 11.765 1.00 0.00 C ATOM 359 CD GLU A 26 -5.774 -4.787 11.800 1.00 0.00 C ATOM 360 OE1 GLU A 26 -6.339 -5.174 10.755 1.00 0.00 O ATOM 361 OE2 GLU A 26 -5.804 -5.429 12.871 1.00 0.00 O ATOM 0 H GLU A 26 -5.204 -0.039 12.330 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.819 -1.360 10.146 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.594 -2.315 10.910 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.496 -3.010 9.734 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.960 -3.676 11.574 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.075 -2.998 12.743 1.00 0.00 H new ATOM 368 N LEU A 27 -5.611 -0.412 8.501 1.00 0.00 N ATOM 369 CA LEU A 27 -6.333 0.456 7.588 1.00 0.00 C ATOM 370 C LEU A 27 -7.501 -0.301 6.958 1.00 0.00 C ATOM 371 O LEU A 27 -7.306 -1.331 6.312 1.00 0.00 O ATOM 372 CB LEU A 27 -5.397 0.975 6.495 1.00 0.00 C ATOM 373 CG LEU A 27 -6.060 1.862 5.440 1.00 0.00 C ATOM 374 CD1 LEU A 27 -5.064 2.868 4.885 1.00 0.00 C ATOM 375 CD2 LEU A 27 -6.642 1.012 4.321 1.00 0.00 C ATOM 0 H LEU A 27 -5.145 -1.198 8.049 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.721 1.306 8.149 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.591 1.538 6.966 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.940 0.121 5.994 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.873 2.412 5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.554 3.490 4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.694 3.498 5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.229 2.338 4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.110 1.659 3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.846 0.436 3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.388 0.332 4.731 1.00 0.00 H new ATOM 387 N THR A 28 -8.712 0.206 7.157 1.00 0.00 N ATOM 388 CA THR A 28 -9.908 -0.433 6.616 1.00 0.00 C ATOM 389 C THR A 28 -10.528 0.410 5.507 1.00 0.00 C ATOM 390 O THR A 28 -10.857 1.576 5.714 1.00 0.00 O ATOM 391 CB THR A 28 -10.934 -0.659 7.728 1.00 0.00 C ATOM 392 OG1 THR A 28 -10.387 -1.458 8.762 1.00 0.00 O ATOM 393 CG2 THR A 28 -12.202 -1.333 7.248 1.00 0.00 C ATOM 0 H THR A 28 -8.893 1.057 7.689 1.00 0.00 H new ATOM 0 HA THR A 28 -9.614 -1.394 6.194 1.00 0.00 H new ATOM 0 HB THR A 28 -11.188 0.337 8.091 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.058 -1.589 9.464 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.885 -1.463 8.087 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.676 -0.715 6.486 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.958 -2.307 6.825 1.00 0.00 H new ATOM 401 N TRP A 29 -10.689 -0.187 4.331 1.00 0.00 N ATOM 402 CA TRP A 29 -11.276 0.519 3.194 1.00 0.00 C ATOM 403 C TRP A 29 -12.455 -0.248 2.608 1.00 0.00 C ATOM 404 O TRP A 29 -12.425 -1.472 2.506 1.00 0.00 O ATOM 405 CB TRP A 29 -10.237 0.760 2.094 1.00 0.00 C ATOM 406 CG TRP A 29 -10.845 1.296 0.829 1.00 0.00 C ATOM 407 CD1 TRP A 29 -10.796 2.583 0.376 1.00 0.00 C ATOM 408 CD2 TRP A 29 -11.609 0.559 -0.138 1.00 0.00 C ATOM 409 NE1 TRP A 29 -11.493 2.696 -0.803 1.00 0.00 N ATOM 410 CE2 TRP A 29 -11.989 1.466 -1.146 1.00 0.00 C ATOM 411 CE3 TRP A 29 -12.008 -0.779 -0.253 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -12.745 1.079 -2.250 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -12.760 -1.158 -1.350 1.00 0.00 C ATOM 414 CH2 TRP A 29 -13.119 -0.232 -2.337 1.00 0.00 C ATOM 0 H TRP A 29 -10.423 -1.153 4.139 1.00 0.00 H new ATOM 0 HA TRP A 29 -11.630 1.479 3.570 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -9.486 1.462 2.457 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -9.721 -0.175 1.876 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.284 3.394 0.872 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -11.620 3.556 -1.336 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -11.733 -1.501 0.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -13.026 1.791 -3.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -13.076 -2.186 -1.447 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.703 -0.561 -3.184 1.00 0.00 H new ATOM 425 N ARG A 30 -13.480 0.491 2.197 1.00 0.00 N ATOM 426 CA ARG A 30 -14.662 -0.108 1.584 1.00 0.00 C ATOM 427 C ARG A 30 -15.155 0.747 0.426 1.00 0.00 C ATOM 428 O ARG A 30 -14.888 1.947 0.370 1.00 0.00 O ATOM 429 CB ARG A 30 -15.792 -0.280 2.602 1.00 0.00 C ATOM 430 CG ARG A 30 -16.413 1.025 3.053 1.00 0.00 C ATOM 431 CD ARG A 30 -15.398 1.920 3.746 1.00 0.00 C ATOM 432 NE ARG A 30 -15.984 2.643 4.872 1.00 0.00 N ATOM 433 CZ ARG A 30 -16.241 2.089 6.055 1.00 0.00 C ATOM 434 NH1 ARG A 30 -15.967 0.809 6.270 1.00 0.00 N ATOM 435 NH2 ARG A 30 -16.775 2.818 7.026 1.00 0.00 N ATOM 0 H ARG A 30 -13.517 1.507 2.277 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.373 -1.092 1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -16.568 -0.909 2.166 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -15.406 -0.808 3.474 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -16.830 1.547 2.192 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -17.240 0.819 3.732 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.563 1.315 4.099 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -14.994 2.634 3.028 1.00 0.00 H new ATOM 0 HE ARG A 30 -16.209 3.630 4.744 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.557 0.243 5.527 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.166 0.390 7.179 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -16.989 3.802 6.866 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -16.972 2.394 7.933 1.00 0.00 H new ATOM 449 N SER A 31 -15.888 0.126 -0.489 1.00 0.00 N ATOM 450 CA SER A 31 -16.431 0.843 -1.635 1.00 0.00 C ATOM 451 C SER A 31 -17.267 2.030 -1.164 1.00 0.00 C ATOM 452 O SER A 31 -17.563 2.155 0.024 1.00 0.00 O ATOM 453 CB SER A 31 -17.283 -0.095 -2.491 1.00 0.00 C ATOM 454 OG SER A 31 -18.339 -0.659 -1.733 1.00 0.00 O ATOM 0 H SER A 31 -16.119 -0.867 -0.461 1.00 0.00 H new ATOM 0 HA SER A 31 -15.604 1.214 -2.240 1.00 0.00 H new ATOM 0 HB2 SER A 31 -17.693 0.453 -3.339 1.00 0.00 H new ATOM 0 HB3 SER A 31 -16.658 -0.890 -2.897 1.00 0.00 H new ATOM 0 HG SER A 31 -18.325 -0.289 -0.826 1.00 0.00 H new ATOM 460 N THR A 32 -17.647 2.899 -2.093 1.00 0.00 N ATOM 461 CA THR A 32 -18.448 4.065 -1.749 1.00 0.00 C ATOM 462 C THR A 32 -19.812 3.642 -1.237 1.00 0.00 C ATOM 463 O THR A 32 -20.421 4.318 -0.408 1.00 0.00 O ATOM 464 CB THR A 32 -18.605 4.986 -2.949 1.00 0.00 C ATOM 465 OG1 THR A 32 -17.508 4.856 -3.835 1.00 0.00 O ATOM 466 CG2 THR A 32 -18.724 6.445 -2.568 1.00 0.00 C ATOM 0 H THR A 32 -17.415 2.819 -3.083 1.00 0.00 H new ATOM 0 HA THR A 32 -17.929 4.609 -0.960 1.00 0.00 H new ATOM 0 HB THR A 32 -19.532 4.676 -3.431 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.632 5.457 -4.599 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.833 7.049 -3.469 1.00 0.00 H new ATOM 0 HG22 THR A 32 -19.597 6.584 -1.930 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.828 6.755 -2.030 1.00 0.00 H new ATOM 474 N ASP A 33 -20.277 2.511 -1.735 1.00 0.00 N ATOM 475 CA ASP A 33 -21.563 1.966 -1.340 1.00 0.00 C ATOM 476 C ASP A 33 -21.835 0.677 -2.100 1.00 0.00 C ATOM 477 O ASP A 33 -22.922 0.479 -2.644 1.00 0.00 O ATOM 478 CB ASP A 33 -22.681 2.979 -1.597 1.00 0.00 C ATOM 479 CG ASP A 33 -23.733 2.969 -0.506 1.00 0.00 C ATOM 480 OD1 ASP A 33 -23.978 1.889 0.073 1.00 0.00 O ATOM 481 OD2 ASP A 33 -24.312 4.041 -0.229 1.00 0.00 O ATOM 0 H ASP A 33 -19.777 1.946 -2.422 1.00 0.00 H new ATOM 0 HA ASP A 33 -21.536 1.750 -0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -22.252 3.978 -1.674 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -23.153 2.760 -2.555 1.00 0.00 H new ATOM 486 N GLY A 34 -20.832 -0.194 -2.145 1.00 0.00 N ATOM 487 CA GLY A 34 -20.981 -1.451 -2.857 1.00 0.00 C ATOM 488 C GLY A 34 -20.904 -2.657 -1.946 1.00 0.00 C ATOM 489 O GLY A 34 -20.520 -3.743 -2.378 1.00 0.00 O ATOM 0 H GLY A 34 -19.923 -0.054 -1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -21.938 -1.456 -3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -20.204 -1.526 -3.617 1.00 0.00 H new ATOM 493 N ASP A 35 -21.268 -2.467 -0.680 1.00 0.00 N ATOM 494 CA ASP A 35 -21.235 -3.549 0.299 1.00 0.00 C ATOM 495 C ASP A 35 -19.933 -4.333 0.196 1.00 0.00 C ATOM 496 O ASP A 35 -19.894 -5.540 0.437 1.00 0.00 O ATOM 497 CB ASP A 35 -22.429 -4.485 0.105 1.00 0.00 C ATOM 498 CG ASP A 35 -22.845 -5.167 1.393 1.00 0.00 C ATOM 499 OD1 ASP A 35 -22.011 -5.245 2.320 1.00 0.00 O ATOM 500 OD2 ASP A 35 -24.005 -5.623 1.476 1.00 0.00 O ATOM 0 H ASP A 35 -21.589 -1.573 -0.308 1.00 0.00 H new ATOM 0 HA ASP A 35 -21.294 -3.106 1.293 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -23.271 -3.917 -0.291 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -22.177 -5.241 -0.638 1.00 0.00 H new ATOM 505 N LYS A 36 -18.870 -3.628 -0.164 1.00 0.00 N ATOM 506 CA LYS A 36 -17.559 -4.228 -0.303 1.00 0.00 C ATOM 507 C LYS A 36 -16.570 -3.563 0.636 1.00 0.00 C ATOM 508 O LYS A 36 -16.558 -2.342 0.769 1.00 0.00 O ATOM 509 CB LYS A 36 -17.062 -4.103 -1.739 1.00 0.00 C ATOM 510 CG LYS A 36 -17.521 -5.231 -2.645 1.00 0.00 C ATOM 511 CD LYS A 36 -16.371 -5.771 -3.476 1.00 0.00 C ATOM 512 CE LYS A 36 -16.841 -6.238 -4.844 1.00 0.00 C ATOM 513 NZ LYS A 36 -15.867 -7.169 -5.478 1.00 0.00 N ATOM 0 H LYS A 36 -18.896 -2.629 -0.366 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.641 -5.284 -0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.406 -3.155 -2.152 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -15.972 -4.072 -1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -17.947 -6.034 -2.043 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -18.312 -4.873 -3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -15.613 -4.997 -3.596 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -15.899 -6.601 -2.950 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -17.807 -6.734 -4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -16.991 -5.374 -5.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.224 -7.464 -6.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.952 -6.688 -5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.743 -8.006 -4.873 1.00 0.00 H new ATOM 527 N VAL A 37 -15.736 -4.365 1.280 1.00 0.00 N ATOM 528 CA VAL A 37 -14.746 -3.840 2.201 1.00 0.00 C ATOM 529 C VAL A 37 -13.474 -4.672 2.183 1.00 0.00 C ATOM 530 O VAL A 37 -13.495 -5.863 1.873 1.00 0.00 O ATOM 531 CB VAL A 37 -15.273 -3.780 3.649 1.00 0.00 C ATOM 532 CG1 VAL A 37 -14.444 -2.815 4.482 1.00 0.00 C ATOM 533 CG2 VAL A 37 -16.746 -3.391 3.684 1.00 0.00 C ATOM 0 H VAL A 37 -15.727 -5.380 1.181 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.528 -2.828 1.861 1.00 0.00 H new ATOM 0 HB VAL A 37 -15.180 -4.777 4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.832 -2.787 5.500 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.406 -3.147 4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -14.499 -1.818 4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -17.089 -3.357 4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -16.874 -2.410 3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -17.330 -4.128 3.132 1.00 0.00 H new ATOM 543 N HIS A 38 -12.371 -4.030 2.530 1.00 0.00 N ATOM 544 CA HIS A 38 -11.074 -4.688 2.575 1.00 0.00 C ATOM 545 C HIS A 38 -10.164 -3.988 3.575 1.00 0.00 C ATOM 546 O HIS A 38 -9.809 -2.823 3.397 1.00 0.00 O ATOM 547 CB HIS A 38 -10.428 -4.691 1.189 1.00 0.00 C ATOM 548 CG HIS A 38 -10.740 -5.915 0.385 1.00 0.00 C ATOM 549 ND1 HIS A 38 -11.919 -6.077 -0.312 1.00 0.00 N ATOM 550 CD2 HIS A 38 -10.020 -7.041 0.168 1.00 0.00 C ATOM 551 CE1 HIS A 38 -11.910 -7.249 -0.922 1.00 0.00 C ATOM 552 NE2 HIS A 38 -10.769 -7.853 -0.647 1.00 0.00 N ATOM 0 H HIS A 38 -12.348 -3.043 2.787 1.00 0.00 H new ATOM 0 HA HIS A 38 -11.220 -5.720 2.893 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -10.762 -3.811 0.640 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -9.347 -4.606 1.301 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -9.039 -7.260 0.563 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -12.702 -7.645 -1.540 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -10.489 -8.774 -0.985 1.00 0.00 H new ATOM 561 N THR A 39 -9.796 -4.702 4.631 1.00 0.00 N ATOM 562 CA THR A 39 -8.937 -4.151 5.662 1.00 0.00 C ATOM 563 C THR A 39 -7.585 -4.852 5.679 1.00 0.00 C ATOM 564 O THR A 39 -7.506 -6.072 5.535 1.00 0.00 O ATOM 565 CB THR A 39 -9.604 -4.277 7.032 1.00 0.00 C ATOM 566 OG1 THR A 39 -10.901 -3.711 7.014 1.00 0.00 O ATOM 567 CG2 THR A 39 -8.824 -3.606 8.141 1.00 0.00 C ATOM 0 H THR A 39 -10.082 -5.668 4.793 1.00 0.00 H new ATOM 0 HA THR A 39 -8.776 -3.097 5.437 1.00 0.00 H new ATOM 0 HB THR A 39 -9.645 -5.347 7.235 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.370 -3.942 7.843 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.352 -3.733 9.086 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.835 -4.058 8.215 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.722 -2.543 7.922 1.00 0.00 H new ATOM 575 N VAL A 40 -6.522 -4.076 5.862 1.00 0.00 N ATOM 576 CA VAL A 40 -5.176 -4.631 5.904 1.00 0.00 C ATOM 577 C VAL A 40 -4.465 -4.242 7.198 1.00 0.00 C ATOM 578 O VAL A 40 -4.608 -3.120 7.685 1.00 0.00 O ATOM 579 CB VAL A 40 -4.330 -4.177 4.692 1.00 0.00 C ATOM 580 CG1 VAL A 40 -5.156 -4.218 3.415 1.00 0.00 C ATOM 581 CG2 VAL A 40 -3.756 -2.786 4.917 1.00 0.00 C ATOM 0 H VAL A 40 -6.567 -3.064 5.983 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.279 -5.715 5.863 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.497 -4.871 4.584 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.542 -3.895 2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.505 -5.236 3.240 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.014 -3.553 3.515 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.165 -2.491 4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.570 -2.075 5.060 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.121 -2.793 5.803 1.00 0.00 H new ATOM 591 N VAL A 41 -3.702 -5.177 7.746 1.00 0.00 N ATOM 592 CA VAL A 41 -2.967 -4.941 8.980 1.00 0.00 C ATOM 593 C VAL A 41 -1.479 -4.761 8.701 1.00 0.00 C ATOM 594 O VAL A 41 -0.906 -5.468 7.874 1.00 0.00 O ATOM 595 CB VAL A 41 -3.160 -6.107 9.969 1.00 0.00 C ATOM 596 CG1 VAL A 41 -2.524 -7.383 9.433 1.00 0.00 C ATOM 597 CG2 VAL A 41 -2.595 -5.750 11.336 1.00 0.00 C ATOM 0 H VAL A 41 -3.576 -6.110 7.353 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.362 -4.027 9.424 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.229 -6.287 10.080 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.673 -8.192 10.148 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.987 -7.649 8.483 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.456 -7.223 9.284 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.741 -6.586 12.020 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.530 -5.537 11.245 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.109 -4.870 11.724 1.00 0.00 H new ATOM 607 N LEU A 42 -0.857 -3.814 9.394 1.00 0.00 N ATOM 608 CA LEU A 42 0.564 -3.550 9.213 1.00 0.00 C ATOM 609 C LEU A 42 1.377 -4.831 9.325 1.00 0.00 C ATOM 610 O LEU A 42 2.391 -4.995 8.647 1.00 0.00 O ATOM 611 CB LEU A 42 1.042 -2.530 10.235 1.00 0.00 C ATOM 612 CG LEU A 42 1.271 -1.131 9.665 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.509 -0.090 10.468 1.00 0.00 C ATOM 614 CD2 LEU A 42 2.756 -0.805 9.626 1.00 0.00 C ATOM 0 H LEU A 42 -1.314 -3.218 10.084 1.00 0.00 H new ATOM 0 HA LEU A 42 0.710 -3.144 8.212 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.309 -2.467 11.039 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.972 -2.886 10.679 1.00 0.00 H new ATOM 0 HG LEU A 42 0.892 -1.112 8.643 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.687 0.898 10.044 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.557 -0.313 10.434 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.850 -0.108 11.503 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.898 0.195 9.217 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.164 -0.846 10.636 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.271 -1.531 8.997 1.00 0.00 H new ATOM 626 N SER A 43 0.918 -5.744 10.170 1.00 0.00 N ATOM 627 CA SER A 43 1.599 -7.023 10.350 1.00 0.00 C ATOM 628 C SER A 43 1.934 -7.649 8.994 1.00 0.00 C ATOM 629 O SER A 43 2.903 -8.397 8.867 1.00 0.00 O ATOM 630 CB SER A 43 0.729 -7.979 11.168 1.00 0.00 C ATOM 631 OG SER A 43 0.131 -7.313 12.267 1.00 0.00 O ATOM 0 H SER A 43 0.081 -5.626 10.740 1.00 0.00 H new ATOM 0 HA SER A 43 2.528 -6.843 10.890 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.047 -8.404 10.531 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.336 -8.809 11.529 1.00 0.00 H new ATOM 0 HG SER A 43 -0.421 -7.946 12.772 1.00 0.00 H new ATOM 637 N THR A 44 1.131 -7.321 7.980 1.00 0.00 N ATOM 638 CA THR A 44 1.343 -7.829 6.630 1.00 0.00 C ATOM 639 C THR A 44 2.040 -6.773 5.775 1.00 0.00 C ATOM 640 O THR A 44 2.701 -7.090 4.789 1.00 0.00 O ATOM 641 CB THR A 44 0.005 -8.224 6.005 1.00 0.00 C ATOM 642 OG1 THR A 44 0.196 -9.118 4.924 1.00 0.00 O ATOM 643 CG2 THR A 44 -0.797 -7.047 5.495 1.00 0.00 C ATOM 0 H THR A 44 0.325 -6.703 8.073 1.00 0.00 H new ATOM 0 HA THR A 44 1.980 -8.712 6.678 1.00 0.00 H new ATOM 0 HB THR A 44 -0.555 -8.696 6.812 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.673 -9.358 4.541 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.733 -7.403 5.065 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.012 -6.368 6.320 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.225 -6.520 4.731 1.00 0.00 H new ATOM 651 N ILE A 45 1.875 -5.517 6.177 1.00 0.00 N ATOM 652 CA ILE A 45 2.477 -4.379 5.484 1.00 0.00 C ATOM 653 C ILE A 45 3.308 -3.551 6.465 1.00 0.00 C ATOM 654 O ILE A 45 2.762 -2.928 7.376 1.00 0.00 O ATOM 655 CB ILE A 45 1.393 -3.488 4.822 1.00 0.00 C ATOM 656 CG1 ILE A 45 1.980 -2.130 4.385 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.202 -3.301 5.757 1.00 0.00 C ATOM 658 CD1 ILE A 45 1.500 -0.941 5.196 1.00 0.00 C ATOM 0 H ILE A 45 1.320 -5.257 6.993 1.00 0.00 H new ATOM 0 HA ILE A 45 3.125 -4.765 4.697 1.00 0.00 H new ATOM 0 HB ILE A 45 1.039 -3.996 3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.067 -2.182 4.450 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.731 -1.962 3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.546 -2.673 5.273 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.235 -4.272 5.989 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.535 -2.824 6.679 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.965 -0.031 4.817 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.416 -0.857 5.112 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.773 -1.080 6.242 1.00 0.00 H new ATOM 670 N ASP A 46 4.633 -3.561 6.294 1.00 0.00 N ATOM 671 CA ASP A 46 5.511 -2.821 7.199 1.00 0.00 C ATOM 672 C ASP A 46 6.181 -1.625 6.535 1.00 0.00 C ATOM 673 O ASP A 46 7.202 -1.131 7.013 1.00 0.00 O ATOM 674 CB ASP A 46 6.569 -3.750 7.796 1.00 0.00 C ATOM 675 CG ASP A 46 6.942 -3.367 9.214 1.00 0.00 C ATOM 676 OD1 ASP A 46 6.987 -2.154 9.510 1.00 0.00 O ATOM 677 OD2 ASP A 46 7.190 -4.280 10.030 1.00 0.00 O ATOM 0 H ASP A 46 5.114 -4.065 5.549 1.00 0.00 H new ATOM 0 HA ASP A 46 4.876 -2.428 7.993 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.196 -4.774 7.786 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.461 -3.729 7.170 1.00 0.00 H new ATOM 682 N LYS A 47 5.587 -1.146 5.460 1.00 0.00 N ATOM 683 CA LYS A 47 6.115 0.024 4.752 1.00 0.00 C ATOM 684 C LYS A 47 5.033 0.701 3.918 1.00 0.00 C ATOM 685 O LYS A 47 4.167 0.040 3.345 1.00 0.00 O ATOM 686 CB LYS A 47 7.311 -0.337 3.860 1.00 0.00 C ATOM 687 CG LYS A 47 7.993 -1.647 4.219 1.00 0.00 C ATOM 688 CD LYS A 47 9.119 -1.964 3.250 1.00 0.00 C ATOM 689 CE LYS A 47 9.577 -3.408 3.380 1.00 0.00 C ATOM 690 NZ LYS A 47 10.136 -3.694 4.730 1.00 0.00 N ATOM 0 H LYS A 47 4.740 -1.541 5.051 1.00 0.00 H new ATOM 0 HA LYS A 47 6.459 0.722 5.516 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.973 -0.390 2.825 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.045 0.467 3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.388 -1.588 5.233 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.262 -2.455 4.208 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.785 -1.778 2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.960 -1.296 3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.736 -4.074 3.187 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.332 -3.619 2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.499 -4.668 4.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.911 -3.031 4.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.389 -3.583 5.446 1.00 0.00 H new ATOM 704 N LEU A 48 5.094 2.029 3.858 1.00 0.00 N ATOM 705 CA LEU A 48 4.125 2.813 3.101 1.00 0.00 C ATOM 706 C LEU A 48 4.827 3.857 2.231 1.00 0.00 C ATOM 707 O LEU A 48 5.537 4.726 2.737 1.00 0.00 O ATOM 708 CB LEU A 48 3.150 3.508 4.056 1.00 0.00 C ATOM 709 CG LEU A 48 3.775 4.586 4.948 1.00 0.00 C ATOM 710 CD1 LEU A 48 3.209 5.957 4.610 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.551 4.262 6.418 1.00 0.00 C ATOM 0 H LEU A 48 5.808 2.586 4.327 1.00 0.00 H new ATOM 0 HA LEU A 48 3.573 2.134 2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.351 3.962 3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.689 2.753 4.693 1.00 0.00 H new ATOM 0 HG LEU A 48 4.849 4.604 4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.666 6.708 5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.425 6.193 3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.130 5.954 4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.002 5.039 7.035 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.481 4.213 6.621 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.009 3.301 6.653 1.00 0.00 H new ATOM 723 N GLN A 49 4.615 3.774 0.923 1.00 0.00 N ATOM 724 CA GLN A 49 5.217 4.720 -0.014 1.00 0.00 C ATOM 725 C GLN A 49 4.167 5.719 -0.495 1.00 0.00 C ATOM 726 O GLN A 49 3.155 5.333 -1.080 1.00 0.00 O ATOM 727 CB GLN A 49 5.815 3.974 -1.208 1.00 0.00 C ATOM 728 CG GLN A 49 7.280 3.611 -1.027 1.00 0.00 C ATOM 729 CD GLN A 49 7.541 2.861 0.264 1.00 0.00 C ATOM 730 OE1 GLN A 49 6.659 2.183 0.791 1.00 0.00 O ATOM 731 NE2 GLN A 49 8.758 2.980 0.782 1.00 0.00 N ATOM 0 H GLN A 49 4.031 3.062 0.485 1.00 0.00 H new ATOM 0 HA GLN A 49 6.014 5.261 0.497 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.242 3.063 -1.380 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.710 4.590 -2.101 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.606 3.001 -1.869 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.880 4.521 -1.042 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.459 3.553 0.311 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.992 2.499 1.650 1.00 0.00 H new ATOM 740 N ALA A 50 4.410 7.001 -0.243 1.00 0.00 N ATOM 741 CA ALA A 50 3.477 8.048 -0.647 1.00 0.00 C ATOM 742 C ALA A 50 4.143 9.042 -1.592 1.00 0.00 C ATOM 743 O ALA A 50 5.368 9.087 -1.699 1.00 0.00 O ATOM 744 CB ALA A 50 2.928 8.767 0.578 1.00 0.00 C ATOM 0 H ALA A 50 5.243 7.340 0.238 1.00 0.00 H new ATOM 0 HA ALA A 50 2.650 7.578 -1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.233 9.545 0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.407 8.053 1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.750 9.218 1.134 1.00 0.00 H new ATOM 750 N THR A 51 3.326 9.839 -2.274 1.00 0.00 N ATOM 751 CA THR A 51 3.835 10.834 -3.210 1.00 0.00 C ATOM 752 C THR A 51 4.248 12.108 -2.476 1.00 0.00 C ATOM 753 O THR A 51 3.660 12.464 -1.455 1.00 0.00 O ATOM 754 CB THR A 51 2.779 11.158 -4.271 1.00 0.00 C ATOM 755 OG1 THR A 51 1.622 10.361 -4.092 1.00 0.00 O ATOM 756 CG2 THR A 51 3.270 10.941 -5.686 1.00 0.00 C ATOM 0 H THR A 51 2.309 9.815 -2.196 1.00 0.00 H new ATOM 0 HA THR A 51 4.714 10.418 -3.702 1.00 0.00 H new ATOM 0 HB THR A 51 2.552 12.216 -4.137 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.107 10.340 -4.926 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.475 11.188 -6.389 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.132 11.581 -5.874 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.557 9.898 -5.815 1.00 0.00 H new ATOM 764 N PRO A 52 5.269 12.816 -2.991 1.00 0.00 N ATOM 765 CA PRO A 52 5.755 14.054 -2.378 1.00 0.00 C ATOM 766 C PRO A 52 4.775 15.209 -2.553 1.00 0.00 C ATOM 767 O PRO A 52 3.965 15.215 -3.480 1.00 0.00 O ATOM 768 CB PRO A 52 7.057 14.335 -3.131 1.00 0.00 C ATOM 769 CG PRO A 52 6.880 13.677 -4.455 1.00 0.00 C ATOM 770 CD PRO A 52 6.026 12.463 -4.207 1.00 0.00 C ATOM 0 HA PRO A 52 5.885 13.953 -1.300 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.227 15.406 -3.241 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.917 13.929 -2.599 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.401 14.352 -5.165 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.843 13.396 -4.882 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.363 12.260 -5.048 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.632 11.570 -4.057 1.00 0.00 H new ATOM 778 N ALA A 53 4.852 16.185 -1.654 1.00 0.00 N ATOM 779 CA ALA A 53 3.970 17.346 -1.706 1.00 0.00 C ATOM 780 C ALA A 53 4.103 18.083 -3.035 1.00 0.00 C ATOM 781 O ALA A 53 3.149 18.696 -3.513 1.00 0.00 O ATOM 782 CB ALA A 53 4.268 18.286 -0.548 1.00 0.00 C ATOM 0 H ALA A 53 5.516 16.195 -0.880 1.00 0.00 H new ATOM 0 HA ALA A 53 2.942 16.993 -1.620 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.603 19.148 -0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.112 17.762 0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.303 18.622 -0.609 1.00 0.00 H new ATOM 788 N SER A 54 5.292 18.020 -3.626 1.00 0.00 N ATOM 789 CA SER A 54 5.547 18.684 -4.899 1.00 0.00 C ATOM 790 C SER A 54 4.927 17.910 -6.058 1.00 0.00 C ATOM 791 O SER A 54 4.632 18.477 -7.110 1.00 0.00 O ATOM 792 CB SER A 54 7.052 18.844 -5.123 1.00 0.00 C ATOM 793 OG SER A 54 7.635 17.628 -5.559 1.00 0.00 O ATOM 0 H SER A 54 6.093 17.517 -3.244 1.00 0.00 H new ATOM 0 HA SER A 54 5.085 19.670 -4.861 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.232 19.623 -5.864 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.528 19.168 -4.198 1.00 0.00 H new ATOM 0 HG SER A 54 8.597 17.757 -5.697 1.00 0.00 H new ATOM 799 N SER A 55 4.735 16.612 -5.858 1.00 0.00 N ATOM 800 CA SER A 55 4.154 15.758 -6.884 1.00 0.00 C ATOM 801 C SER A 55 2.673 16.068 -7.079 1.00 0.00 C ATOM 802 O SER A 55 1.883 15.989 -6.138 1.00 0.00 O ATOM 803 CB SER A 55 4.332 14.284 -6.514 1.00 0.00 C ATOM 804 OG SER A 55 5.501 13.747 -7.108 1.00 0.00 O ATOM 0 H SER A 55 4.974 16.128 -4.993 1.00 0.00 H new ATOM 0 HA SER A 55 4.675 15.957 -7.821 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.391 14.182 -5.430 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.461 13.716 -6.840 1.00 0.00 H new ATOM 0 HG SER A 55 6.170 14.455 -7.212 1.00 0.00 H new ATOM 810 N GLU A 56 2.303 16.414 -8.307 1.00 0.00 N ATOM 811 CA GLU A 56 0.916 16.730 -8.626 1.00 0.00 C ATOM 812 C GLU A 56 0.016 15.513 -8.421 1.00 0.00 C ATOM 813 O GLU A 56 -1.204 15.643 -8.315 1.00 0.00 O ATOM 814 CB GLU A 56 0.803 17.224 -10.070 1.00 0.00 C ATOM 815 CG GLU A 56 -0.366 18.168 -10.300 1.00 0.00 C ATOM 816 CD GLU A 56 0.063 19.621 -10.371 1.00 0.00 C ATOM 817 OE1 GLU A 56 0.385 20.091 -11.482 1.00 0.00 O ATOM 818 OE2 GLU A 56 0.076 20.288 -9.315 1.00 0.00 O ATOM 0 H GLU A 56 2.944 16.483 -9.097 1.00 0.00 H new ATOM 0 HA GLU A 56 0.586 17.520 -7.951 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.728 17.731 -10.345 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.701 16.364 -10.732 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.871 17.896 -11.227 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.091 18.046 -9.495 1.00 0.00 H new ATOM 825 N LYS A 57 0.624 14.330 -8.368 1.00 0.00 N ATOM 826 CA LYS A 57 -0.123 13.091 -8.177 1.00 0.00 C ATOM 827 C LYS A 57 -0.970 13.150 -6.908 1.00 0.00 C ATOM 828 O LYS A 57 -1.102 14.205 -6.286 1.00 0.00 O ATOM 829 CB LYS A 57 0.838 11.901 -8.113 1.00 0.00 C ATOM 830 CG LYS A 57 0.852 11.062 -9.381 1.00 0.00 C ATOM 831 CD LYS A 57 -0.049 9.845 -9.254 1.00 0.00 C ATOM 832 CE LYS A 57 0.277 8.798 -10.307 1.00 0.00 C ATOM 833 NZ LYS A 57 -0.010 9.288 -11.684 1.00 0.00 N ATOM 0 H LYS A 57 1.632 14.204 -8.455 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.793 12.965 -9.027 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.846 12.268 -7.919 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.562 11.267 -7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.526 11.671 -10.225 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.871 10.741 -9.594 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.063 9.410 -8.261 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.091 10.150 -9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.329 8.522 -10.232 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.304 7.896 -10.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.209 8.539 -12.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.015 9.543 -11.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.575 10.124 -11.884 1.00 0.00 H new ATOM 847 N MET A 58 -1.542 12.011 -6.531 1.00 0.00 N ATOM 848 CA MET A 58 -2.377 11.930 -5.340 1.00 0.00 C ATOM 849 C MET A 58 -2.732 10.479 -5.029 1.00 0.00 C ATOM 850 O MET A 58 -3.871 10.052 -5.220 1.00 0.00 O ATOM 851 CB MET A 58 -3.651 12.756 -5.534 1.00 0.00 C ATOM 852 CG MET A 58 -4.075 13.524 -4.293 1.00 0.00 C ATOM 853 SD MET A 58 -3.863 15.306 -4.471 1.00 0.00 S ATOM 854 CE MET A 58 -4.189 15.854 -2.799 1.00 0.00 C ATOM 0 H MET A 58 -1.442 11.130 -7.035 1.00 0.00 H new ATOM 0 HA MET A 58 -1.817 12.335 -4.497 1.00 0.00 H new ATOM 0 HB2 MET A 58 -3.496 13.460 -6.351 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.462 12.092 -5.835 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.121 13.307 -4.076 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.493 13.177 -3.439 1.00 0.00 H new ATOM 0 HE1 MET A 58 -5.121 16.419 -2.776 1.00 0.00 H new ATOM 0 HE2 MET A 58 -4.274 14.988 -2.142 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.371 16.489 -2.458 1.00 0.00 H new ATOM 864 N MET A 59 -1.748 9.721 -4.556 1.00 0.00 N ATOM 865 CA MET A 59 -1.959 8.315 -4.229 1.00 0.00 C ATOM 866 C MET A 59 -0.834 7.779 -3.345 1.00 0.00 C ATOM 867 O MET A 59 0.263 8.335 -3.316 1.00 0.00 O ATOM 868 CB MET A 59 -2.066 7.483 -5.513 1.00 0.00 C ATOM 869 CG MET A 59 -1.310 8.070 -6.695 1.00 0.00 C ATOM 870 SD MET A 59 -0.447 6.821 -7.669 1.00 0.00 S ATOM 871 CE MET A 59 1.254 7.350 -7.469 1.00 0.00 C ATOM 0 H MET A 59 -0.799 10.056 -4.391 1.00 0.00 H new ATOM 0 HA MET A 59 -2.893 8.234 -3.673 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.689 6.479 -5.316 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.118 7.382 -5.781 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.010 8.605 -7.338 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.589 8.802 -6.331 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.921 6.505 -7.643 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.476 8.141 -8.186 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.401 7.726 -6.457 1.00 0.00 H new ATOM 881 N LEU A 60 -1.117 6.695 -2.623 1.00 0.00 N ATOM 882 CA LEU A 60 -0.129 6.082 -1.735 1.00 0.00 C ATOM 883 C LEU A 60 -0.189 4.559 -1.814 1.00 0.00 C ATOM 884 O LEU A 60 -1.270 3.971 -1.831 1.00 0.00 O ATOM 885 CB LEU A 60 -0.342 6.537 -0.285 1.00 0.00 C ATOM 886 CG LEU A 60 -1.688 7.202 0.008 1.00 0.00 C ATOM 887 CD1 LEU A 60 -2.099 6.955 1.450 1.00 0.00 C ATOM 888 CD2 LEU A 60 -1.616 8.693 -0.283 1.00 0.00 C ATOM 0 H LEU A 60 -2.021 6.223 -2.635 1.00 0.00 H new ATOM 0 HA LEU A 60 0.857 6.408 -2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.235 5.671 0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.453 7.235 -0.022 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.443 6.761 -0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.059 7.435 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.188 5.883 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.345 7.370 2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.581 9.152 -0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.850 9.150 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.365 8.847 -1.332 1.00 0.00 H new ATOM 900 N ARG A 61 0.980 3.926 -1.855 1.00 0.00 N ATOM 901 CA ARG A 61 1.063 2.470 -1.924 1.00 0.00 C ATOM 902 C ARG A 61 1.738 1.914 -0.671 1.00 0.00 C ATOM 903 O ARG A 61 2.673 2.513 -0.143 1.00 0.00 O ATOM 904 CB ARG A 61 1.814 2.033 -3.198 1.00 0.00 C ATOM 905 CG ARG A 61 3.233 1.518 -2.966 1.00 0.00 C ATOM 906 CD ARG A 61 3.708 0.646 -4.119 1.00 0.00 C ATOM 907 NE ARG A 61 4.801 -0.238 -3.715 1.00 0.00 N ATOM 908 CZ ARG A 61 6.054 -0.143 -4.165 1.00 0.00 C ATOM 909 NH1 ARG A 61 6.386 0.782 -5.056 1.00 0.00 N ATOM 910 NH2 ARG A 61 6.980 -0.982 -3.723 1.00 0.00 N ATOM 0 H ARG A 61 1.884 4.399 -1.842 1.00 0.00 H new ATOM 0 HA ARG A 61 0.052 2.064 -1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.236 1.252 -3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.858 2.879 -3.884 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.912 2.362 -2.844 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.266 0.946 -2.039 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.875 0.049 -4.490 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.038 1.280 -4.942 1.00 0.00 H new ATOM 0 HE ARG A 61 4.592 -0.977 -3.044 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.680 1.431 -5.405 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.347 0.845 -5.392 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.735 -1.699 -3.040 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.938 -0.911 -4.066 1.00 0.00 H new ATOM 924 N LEU A 62 1.260 0.767 -0.203 1.00 0.00 N ATOM 925 CA LEU A 62 1.821 0.133 0.987 1.00 0.00 C ATOM 926 C LEU A 62 2.474 -1.191 0.643 1.00 0.00 C ATOM 927 O LEU A 62 1.948 -1.987 -0.134 1.00 0.00 O ATOM 928 CB LEU A 62 0.753 -0.057 2.067 1.00 0.00 C ATOM 929 CG LEU A 62 -0.511 0.792 1.900 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.599 -0.002 1.195 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.002 1.287 3.253 1.00 0.00 C ATOM 0 H LEU A 62 0.486 0.256 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 62 2.589 0.797 1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.464 -1.108 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.197 0.170 3.036 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.266 1.658 1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.489 0.618 1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.246 -0.307 0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.843 -0.887 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.901 1.889 3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.230 0.434 3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.227 1.894 3.722 1.00 0.00 H new ATOM 943 N ILE A 63 3.641 -1.396 1.226 1.00 0.00 N ATOM 944 CA ILE A 63 4.425 -2.592 1.003 1.00 0.00 C ATOM 945 C ILE A 63 4.036 -3.696 1.984 1.00 0.00 C ATOM 946 O ILE A 63 3.985 -3.474 3.189 1.00 0.00 O ATOM 947 CB ILE A 63 5.919 -2.254 1.159 1.00 0.00 C ATOM 948 CG1 ILE A 63 6.543 -1.945 -0.197 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.661 -3.370 1.857 1.00 0.00 C ATOM 950 CD1 ILE A 63 6.242 -0.543 -0.676 1.00 0.00 C ATOM 0 H ILE A 63 4.072 -0.733 1.870 1.00 0.00 H new ATOM 0 HA ILE A 63 4.229 -2.955 -0.006 1.00 0.00 H new ATOM 0 HB ILE A 63 6.001 -1.364 1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.623 -2.078 -0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.176 -2.661 -0.932 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.713 -3.103 1.953 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.235 -3.526 2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.571 -4.287 1.274 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.712 -0.381 -1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.164 -0.414 -0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.633 0.178 0.042 1.00 0.00 H new ATOM 962 N GLY A 64 3.782 -4.892 1.461 1.00 0.00 N ATOM 963 CA GLY A 64 3.418 -6.012 2.313 1.00 0.00 C ATOM 964 C GLY A 64 4.629 -6.682 2.939 1.00 0.00 C ATOM 965 O GLY A 64 4.678 -7.904 3.041 1.00 0.00 O ATOM 0 H GLY A 64 3.821 -5.106 0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.751 -5.663 3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.863 -6.745 1.727 1.00 0.00 H new ATOM 969 N LYS A 65 5.601 -5.863 3.352 1.00 0.00 N ATOM 970 CA LYS A 65 6.849 -6.325 3.972 1.00 0.00 C ATOM 971 C LYS A 65 7.384 -7.611 3.336 1.00 0.00 C ATOM 972 O LYS A 65 6.628 -8.492 2.938 1.00 0.00 O ATOM 973 CB LYS A 65 6.686 -6.518 5.482 1.00 0.00 C ATOM 974 CG LYS A 65 5.322 -7.032 5.907 1.00 0.00 C ATOM 975 CD LYS A 65 5.173 -8.522 5.637 1.00 0.00 C ATOM 976 CE LYS A 65 5.239 -9.330 6.923 1.00 0.00 C ATOM 977 NZ LYS A 65 5.698 -10.725 6.679 1.00 0.00 N ATOM 0 H LYS A 65 5.544 -4.848 3.265 1.00 0.00 H new ATOM 0 HA LYS A 65 7.582 -5.539 3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.448 -7.215 5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.873 -5.566 5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.175 -6.838 6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.545 -6.486 5.373 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.223 -8.709 5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.960 -8.851 4.959 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.916 -8.842 7.624 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.255 -9.348 7.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.729 -11.243 7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.038 -11.199 6.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.648 -10.709 6.256 1.00 0.00 H new ATOM 991 N VAL A 66 8.704 -7.713 3.241 1.00 0.00 N ATOM 992 CA VAL A 66 9.329 -8.877 2.658 1.00 0.00 C ATOM 993 C VAL A 66 10.439 -9.427 3.546 1.00 0.00 C ATOM 994 O VAL A 66 10.321 -9.432 4.771 1.00 0.00 O ATOM 995 CB VAL A 66 9.862 -8.582 1.259 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.000 -9.881 0.473 1.00 0.00 C ATOM 997 CG2 VAL A 66 8.960 -7.598 0.528 1.00 0.00 C ATOM 0 H VAL A 66 9.357 -6.999 3.563 1.00 0.00 H new ATOM 0 HA VAL A 66 8.557 -9.642 2.575 1.00 0.00 H new ATOM 0 HB VAL A 66 10.846 -8.121 1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.381 -9.664 -0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.692 -10.547 0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.026 -10.363 0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.363 -7.405 -0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.959 -8.019 0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.912 -6.664 1.088 1.00 0.00 H new ATOM 1311 N ARG A 86 2.758 -5.847 -3.757 1.00 0.00 N ATOM 1312 CA ARG A 86 2.375 -4.533 -3.255 1.00 0.00 C ATOM 1313 C ARG A 86 1.056 -4.060 -3.851 1.00 0.00 C ATOM 1314 O ARG A 86 0.515 -4.674 -4.771 1.00 0.00 O ATOM 1315 CB ARG A 86 3.473 -3.513 -3.549 1.00 0.00 C ATOM 1316 CG ARG A 86 4.670 -3.647 -2.631 1.00 0.00 C ATOM 1317 CD ARG A 86 5.668 -4.666 -3.157 1.00 0.00 C ATOM 1318 NE ARG A 86 7.047 -4.204 -3.021 1.00 0.00 N ATOM 1319 CZ ARG A 86 8.067 -4.691 -3.725 1.00 0.00 C ATOM 1320 NH1 ARG A 86 7.868 -5.656 -4.614 1.00 0.00 N ATOM 1321 NH2 ARG A 86 9.289 -4.212 -3.539 1.00 0.00 N ATOM 0 HA ARG A 86 2.241 -4.623 -2.177 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.800 -3.628 -4.582 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.062 -2.508 -3.455 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.159 -2.679 -2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.335 -3.944 -1.637 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.546 -5.605 -2.617 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.457 -4.872 -4.206 1.00 0.00 H new ATOM 0 HE ARG A 86 7.240 -3.464 -2.346 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.930 -6.029 -4.761 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.653 -6.025 -5.150 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.448 -3.471 -2.857 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.070 -4.585 -4.078 1.00 0.00 H new ATOM 1335 N HIS A 87 0.553 -2.956 -3.312 1.00 0.00 N ATOM 1336 CA HIS A 87 -0.701 -2.372 -3.771 1.00 0.00 C ATOM 1337 C HIS A 87 -0.658 -0.856 -3.632 1.00 0.00 C ATOM 1338 O HIS A 87 0.017 -0.326 -2.749 1.00 0.00 O ATOM 1339 CB HIS A 87 -1.883 -2.940 -2.980 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.600 -3.124 -1.520 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -0.761 -2.462 -0.688 1.00 0.00 N flip ATOM 1342 CD2 HIS A 87 -2.216 -4.089 -0.751 1.00 0.00 C flip ATOM 1343 CE1 HIS A 87 -0.886 -3.033 0.554 1.00 0.00 C flip ATOM 1344 NE2 HIS A 87 -1.770 -4.011 0.490 1.00 0.00 N flip ATOM 0 H HIS A 87 0.999 -2.444 -2.551 1.00 0.00 H new ATOM 0 HA HIS A 87 -0.834 -2.627 -4.822 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.738 -2.274 -3.094 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.168 -3.901 -3.409 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -0.150 -1.684 -0.938 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -2.949 -4.798 -1.108 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -0.348 -2.731 1.440 1.00 0.00 H new ATOM 1353 N MET A 88 -1.372 -0.158 -4.507 1.00 0.00 N ATOM 1354 CA MET A 88 -1.396 1.299 -4.473 1.00 0.00 C ATOM 1355 C MET A 88 -2.809 1.828 -4.246 1.00 0.00 C ATOM 1356 O MET A 88 -3.790 1.216 -4.667 1.00 0.00 O ATOM 1357 CB MET A 88 -0.820 1.864 -5.771 1.00 0.00 C ATOM 1358 CG MET A 88 -1.693 1.611 -6.990 1.00 0.00 C ATOM 1359 SD MET A 88 -1.445 2.830 -8.298 1.00 0.00 S ATOM 1360 CE MET A 88 -2.161 1.973 -9.700 1.00 0.00 C ATOM 0 H MET A 88 -1.939 -0.575 -5.245 1.00 0.00 H new ATOM 0 HA MET A 88 -0.780 1.627 -3.636 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.675 2.938 -5.656 1.00 0.00 H new ATOM 0 HB3 MET A 88 0.163 1.426 -5.942 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.481 0.616 -7.382 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.740 1.618 -6.688 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.493 2.057 -10.557 1.00 0.00 H new ATOM 0 HE2 MET A 88 -2.301 0.921 -9.451 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.125 2.419 -9.946 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.898 2.974 -3.579 1.00 0.00 N ATOM 1371 CA PHE A 89 -4.182 3.600 -3.290 1.00 0.00 C ATOM 1372 C PHE A 89 -4.266 4.981 -3.933 1.00 0.00 C ATOM 1373 O PHE A 89 -3.353 5.794 -3.793 1.00 0.00 O ATOM 1374 CB PHE A 89 -4.378 3.729 -1.778 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.248 2.661 -1.182 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -4.770 1.372 -1.015 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -6.542 2.951 -0.781 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -5.569 0.390 -0.460 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -7.345 1.974 -0.225 1.00 0.00 C ATOM 1380 CZ PHE A 89 -6.858 0.691 -0.064 1.00 0.00 C ATOM 0 H PHE A 89 -2.091 3.490 -3.227 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.968 2.969 -3.705 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.403 3.702 -1.292 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.816 4.703 -1.560 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.763 1.132 -1.322 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.927 3.952 -0.904 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.186 -0.612 -0.336 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -8.352 2.213 0.083 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.484 -0.075 0.370 1.00 0.00 H new ATOM 1390 N SER A 90 -5.369 5.248 -4.624 1.00 0.00 N ATOM 1391 CA SER A 90 -5.564 6.541 -5.268 1.00 0.00 C ATOM 1392 C SER A 90 -6.314 7.485 -4.337 1.00 0.00 C ATOM 1393 O SER A 90 -7.459 7.228 -3.970 1.00 0.00 O ATOM 1394 CB SER A 90 -6.334 6.379 -6.580 1.00 0.00 C ATOM 1395 OG SER A 90 -6.063 7.451 -7.466 1.00 0.00 O ATOM 0 H SER A 90 -6.138 4.590 -4.752 1.00 0.00 H new ATOM 0 HA SER A 90 -4.585 6.965 -5.490 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.060 5.435 -7.052 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.404 6.334 -6.375 1.00 0.00 H new ATOM 0 HG SER A 90 -6.566 7.323 -8.298 1.00 0.00 H new ATOM 1401 N PHE A 91 -5.660 8.574 -3.953 1.00 0.00 N ATOM 1402 CA PHE A 91 -6.267 9.548 -3.056 1.00 0.00 C ATOM 1403 C PHE A 91 -6.785 10.754 -3.831 1.00 0.00 C ATOM 1404 O PHE A 91 -6.228 11.129 -4.862 1.00 0.00 O ATOM 1405 CB PHE A 91 -5.259 9.994 -1.997 1.00 0.00 C ATOM 1406 CG PHE A 91 -5.186 9.068 -0.816 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -4.867 7.730 -0.987 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -5.439 9.534 0.463 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -4.802 6.875 0.098 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -5.376 8.683 1.551 1.00 0.00 C ATOM 1411 CZ PHE A 91 -5.057 7.353 1.368 1.00 0.00 C ATOM 0 H PHE A 91 -4.711 8.804 -4.248 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.113 9.072 -2.560 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.272 10.067 -2.454 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.525 10.993 -1.651 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.667 7.351 -1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.688 10.574 0.613 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.552 5.835 -0.048 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -5.576 9.059 2.543 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.007 6.687 2.217 1.00 0.00 H new ATOM 1421 N ASN A 92 -7.858 11.354 -3.328 1.00 0.00 N ATOM 1422 CA ASN A 92 -8.456 12.515 -3.972 1.00 0.00 C ATOM 1423 C ASN A 92 -8.594 13.675 -2.989 1.00 0.00 C ATOM 1424 O ASN A 92 -9.634 14.329 -2.926 1.00 0.00 O ATOM 1425 CB ASN A 92 -9.825 12.146 -4.552 1.00 0.00 C ATOM 1426 CG ASN A 92 -9.742 11.012 -5.558 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -9.155 11.161 -6.630 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -10.332 9.869 -5.217 1.00 0.00 N ATOM 0 H ASN A 92 -8.331 11.054 -2.475 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.800 12.834 -4.782 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -10.495 11.860 -3.741 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -10.261 13.022 -5.032 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.309 9.073 -5.854 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.808 9.789 -4.318 1.00 0.00 H new ATOM 1435 N ASN A 93 -7.534 13.925 -2.224 1.00 0.00 N ATOM 1436 CA ASN A 93 -7.533 15.008 -1.245 1.00 0.00 C ATOM 1437 C ASN A 93 -6.157 15.158 -0.598 1.00 0.00 C ATOM 1438 O ASN A 93 -5.516 14.169 -0.242 1.00 0.00 O ATOM 1439 CB ASN A 93 -8.595 14.756 -0.173 1.00 0.00 C ATOM 1440 CG ASN A 93 -9.878 15.517 -0.444 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -9.936 16.358 -1.341 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -10.916 15.225 0.331 1.00 0.00 N ATOM 0 H ASN A 93 -6.665 13.392 -2.263 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.769 15.936 -1.766 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -8.812 13.689 -0.123 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -8.201 15.047 0.801 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -11.806 15.705 0.194 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.824 14.521 1.063 1.00 0.00 H new ATOM 1449 N ARG A 94 -5.710 16.402 -0.456 1.00 0.00 N ATOM 1450 CA ARG A 94 -4.408 16.691 0.139 1.00 0.00 C ATOM 1451 C ARG A 94 -4.370 16.313 1.618 1.00 0.00 C ATOM 1452 O ARG A 94 -3.394 15.735 2.095 1.00 0.00 O ATOM 1453 CB ARG A 94 -4.070 18.174 -0.024 1.00 0.00 C ATOM 1454 CG ARG A 94 -4.194 18.674 -1.454 1.00 0.00 C ATOM 1455 CD ARG A 94 -4.463 20.170 -1.499 1.00 0.00 C ATOM 1456 NE ARG A 94 -5.015 20.588 -2.785 1.00 0.00 N ATOM 1457 CZ ARG A 94 -4.287 20.745 -3.889 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -2.979 20.519 -3.867 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -4.868 21.128 -5.017 1.00 0.00 N ATOM 0 H ARG A 94 -6.232 17.229 -0.746 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.665 16.088 -0.384 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.730 18.761 0.615 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -3.052 18.346 0.325 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -3.277 18.451 -1.999 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.001 18.143 -1.958 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -5.157 20.438 -0.702 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.536 20.711 -1.309 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.017 20.770 -2.841 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -2.527 20.224 -3.002 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.426 20.641 -4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.873 21.303 -5.039 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.310 21.248 -5.863 1.00 0.00 H new ATOM 1473 N THR A 95 -5.429 16.656 2.344 1.00 0.00 N ATOM 1474 CA THR A 95 -5.504 16.363 3.768 1.00 0.00 C ATOM 1475 C THR A 95 -5.795 14.889 4.020 1.00 0.00 C ATOM 1476 O THR A 95 -5.331 14.317 5.005 1.00 0.00 O ATOM 1477 CB THR A 95 -6.576 17.227 4.432 1.00 0.00 C ATOM 1478 OG1 THR A 95 -6.427 18.586 4.061 1.00 0.00 O ATOM 1479 CG2 THR A 95 -6.549 17.158 5.944 1.00 0.00 C ATOM 0 H THR A 95 -6.246 17.137 1.968 1.00 0.00 H new ATOM 0 HA THR A 95 -4.533 16.595 4.205 1.00 0.00 H new ATOM 0 HB THR A 95 -7.527 16.825 4.083 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.123 19.122 4.495 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.335 17.794 6.351 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.712 16.129 6.264 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.580 17.501 6.307 1.00 0.00 H new ATOM 1487 N VAL A 96 -6.566 14.277 3.131 1.00 0.00 N ATOM 1488 CA VAL A 96 -6.910 12.868 3.271 1.00 0.00 C ATOM 1489 C VAL A 96 -5.656 12.000 3.286 1.00 0.00 C ATOM 1490 O VAL A 96 -5.483 11.157 4.166 1.00 0.00 O ATOM 1491 CB VAL A 96 -7.844 12.404 2.133 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -8.003 10.888 2.136 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -9.198 13.086 2.249 1.00 0.00 C ATOM 0 H VAL A 96 -6.964 14.731 2.309 1.00 0.00 H new ATOM 0 HA VAL A 96 -7.433 12.756 4.221 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.390 12.690 1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.666 10.590 1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.028 10.420 1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -8.428 10.569 3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.846 12.749 1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.652 12.833 3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.068 14.166 2.184 1.00 0.00 H new ATOM 1503 N MET A 97 -4.785 12.209 2.306 1.00 0.00 N ATOM 1504 CA MET A 97 -3.552 11.441 2.211 1.00 0.00 C ATOM 1505 C MET A 97 -2.610 11.781 3.358 1.00 0.00 C ATOM 1506 O MET A 97 -2.008 10.893 3.960 1.00 0.00 O ATOM 1507 CB MET A 97 -2.861 11.699 0.871 1.00 0.00 C ATOM 1508 CG MET A 97 -2.558 13.165 0.612 1.00 0.00 C ATOM 1509 SD MET A 97 -0.897 13.633 1.135 1.00 0.00 S ATOM 1510 CE MET A 97 0.099 12.670 0.000 1.00 0.00 C ATOM 0 H MET A 97 -4.910 12.902 1.568 1.00 0.00 H new ATOM 0 HA MET A 97 -3.809 10.384 2.277 1.00 0.00 H new ATOM 0 HB2 MET A 97 -1.930 11.133 0.838 1.00 0.00 H new ATOM 0 HB3 MET A 97 -3.493 11.320 0.068 1.00 0.00 H new ATOM 0 HG2 MET A 97 -2.672 13.373 -0.452 1.00 0.00 H new ATOM 0 HG3 MET A 97 -3.287 13.781 1.137 1.00 0.00 H new ATOM 0 HE1 MET A 97 1.044 13.183 -0.180 1.00 0.00 H new ATOM 0 HE2 MET A 97 0.295 11.688 0.431 1.00 0.00 H new ATOM 0 HE3 MET A 97 -0.435 12.552 -0.943 1.00 0.00 H new ATOM 1520 N ASP A 98 -2.483 13.069 3.656 1.00 0.00 N ATOM 1521 CA ASP A 98 -1.606 13.519 4.729 1.00 0.00 C ATOM 1522 C ASP A 98 -2.125 13.085 6.095 1.00 0.00 C ATOM 1523 O ASP A 98 -1.347 12.672 6.954 1.00 0.00 O ATOM 1524 CB ASP A 98 -1.453 15.040 4.689 1.00 0.00 C ATOM 1525 CG ASP A 98 -0.061 15.492 5.083 1.00 0.00 C ATOM 1526 OD1 ASP A 98 0.556 14.831 5.945 1.00 0.00 O ATOM 1527 OD2 ASP A 98 0.412 16.508 4.531 1.00 0.00 O ATOM 0 H ASP A 98 -2.976 13.819 3.170 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.632 13.055 4.575 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.678 15.399 3.684 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.183 15.493 5.360 1.00 0.00 H new ATOM 1532 N ASN A 99 -3.435 13.185 6.300 1.00 0.00 N ATOM 1533 CA ASN A 99 -4.027 12.805 7.578 1.00 0.00 C ATOM 1534 C ASN A 99 -3.705 11.353 7.915 1.00 0.00 C ATOM 1535 O ASN A 99 -3.224 11.054 9.007 1.00 0.00 O ATOM 1536 CB ASN A 99 -5.543 13.010 7.542 1.00 0.00 C ATOM 1537 CG ASN A 99 -5.943 14.428 7.896 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -5.114 15.232 8.322 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -7.221 14.743 7.722 1.00 0.00 N ATOM 0 H ASN A 99 -4.101 13.522 5.605 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.600 13.442 8.353 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.916 12.768 6.547 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -6.017 12.317 8.237 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -7.549 15.683 7.944 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.874 14.045 7.366 1.00 0.00 H new ATOM 1546 N ILE A 100 -3.951 10.454 6.968 1.00 0.00 N ATOM 1547 CA ILE A 100 -3.655 9.048 7.177 1.00 0.00 C ATOM 1548 C ILE A 100 -2.157 8.790 7.064 1.00 0.00 C ATOM 1549 O ILE A 100 -1.598 8.007 7.827 1.00 0.00 O ATOM 1550 CB ILE A 100 -4.424 8.135 6.201 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -5.904 8.088 6.585 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -3.820 6.736 6.181 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -6.717 7.139 5.735 1.00 0.00 C ATOM 0 H ILE A 100 -4.351 10.675 6.056 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.987 8.803 8.186 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.340 8.547 5.195 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.991 7.792 7.630 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.325 9.090 6.501 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.378 6.109 5.486 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.779 6.794 5.863 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.870 6.304 7.180 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.756 7.156 6.063 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.661 7.446 4.691 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -6.321 6.129 5.838 1.00 0.00 H new ATOM 1565 N LYS A 101 -1.506 9.454 6.105 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.070 9.282 5.911 1.00 0.00 C ATOM 1567 C LYS A 101 0.660 9.548 7.213 1.00 0.00 C ATOM 1568 O LYS A 101 1.498 8.757 7.643 1.00 0.00 O ATOM 1569 CB LYS A 101 0.449 10.212 4.808 1.00 0.00 C ATOM 1570 CG LYS A 101 1.964 10.214 4.669 1.00 0.00 C ATOM 1571 CD LYS A 101 2.413 11.059 3.488 1.00 0.00 C ATOM 1572 CE LYS A 101 3.720 11.778 3.782 1.00 0.00 C ATOM 1573 NZ LYS A 101 4.119 12.683 2.670 1.00 0.00 N ATOM 0 H LYS A 101 -1.948 10.108 5.459 1.00 0.00 H new ATOM 0 HA LYS A 101 0.117 8.254 5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.007 9.915 3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.111 11.228 5.013 1.00 0.00 H new ATOM 0 HG2 LYS A 101 2.414 10.598 5.585 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.320 9.192 4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.535 10.424 2.611 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.641 11.790 3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.618 12.355 4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.507 11.044 3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.015 13.154 2.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.242 12.129 1.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.380 13.400 2.523 1.00 0.00 H new ATOM 1587 N MET A 102 0.309 10.653 7.847 1.00 0.00 N ATOM 1588 CA MET A 102 0.906 11.018 9.124 1.00 0.00 C ATOM 1589 C MET A 102 0.594 9.947 10.159 1.00 0.00 C ATOM 1590 O MET A 102 1.409 9.646 11.031 1.00 0.00 O ATOM 1591 CB MET A 102 0.392 12.382 9.594 1.00 0.00 C ATOM 1592 CG MET A 102 -1.077 12.401 9.990 1.00 0.00 C ATOM 1593 SD MET A 102 -1.446 13.664 11.222 1.00 0.00 S ATOM 1594 CE MET A 102 -3.171 13.318 11.557 1.00 0.00 C ATOM 0 H MET A 102 -0.386 11.314 7.500 1.00 0.00 H new ATOM 0 HA MET A 102 1.986 11.091 8.999 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.989 12.707 10.446 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.550 13.110 8.798 1.00 0.00 H new ATOM 0 HG2 MET A 102 -1.686 12.575 9.103 1.00 0.00 H new ATOM 0 HG3 MET A 102 -1.356 11.423 10.382 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.511 13.934 12.389 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.766 13.543 10.672 1.00 0.00 H new ATOM 0 HE3 MET A 102 -3.288 12.265 11.814 1.00 0.00 H new ATOM 1604 N THR A 103 -0.593 9.365 10.036 1.00 0.00 N ATOM 1605 CA THR A 103 -1.030 8.314 10.931 1.00 0.00 C ATOM 1606 C THR A 103 -0.207 7.058 10.686 1.00 0.00 C ATOM 1607 O THR A 103 0.385 6.498 11.606 1.00 0.00 O ATOM 1608 CB THR A 103 -2.521 8.031 10.696 1.00 0.00 C ATOM 1609 OG1 THR A 103 -3.322 8.736 11.627 1.00 0.00 O ATOM 1610 CG2 THR A 103 -2.891 6.571 10.787 1.00 0.00 C ATOM 0 H THR A 103 -1.272 9.610 9.316 1.00 0.00 H new ATOM 0 HA THR A 103 -0.888 8.629 11.965 1.00 0.00 H new ATOM 0 HB THR A 103 -2.709 8.366 9.676 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.268 8.542 11.458 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.960 6.455 10.609 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.335 6.007 10.038 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.645 6.195 11.780 1.00 0.00 H new ATOM 1618 N LEU A 104 -0.176 6.633 9.428 1.00 0.00 N ATOM 1619 CA LEU A 104 0.565 5.449 9.029 1.00 0.00 C ATOM 1620 C LEU A 104 2.048 5.617 9.307 1.00 0.00 C ATOM 1621 O LEU A 104 2.739 4.662 9.655 1.00 0.00 O ATOM 1622 CB LEU A 104 0.324 5.151 7.547 1.00 0.00 C ATOM 1623 CG LEU A 104 -0.731 4.073 7.268 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -1.780 4.577 6.280 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -0.066 2.806 6.748 1.00 0.00 C ATOM 0 H LEU A 104 -0.662 7.099 8.662 1.00 0.00 H new ATOM 0 HA LEU A 104 0.208 4.605 9.618 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.020 6.073 7.051 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.267 4.842 7.096 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.239 3.840 8.204 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.516 3.793 6.100 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.278 5.454 6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.296 4.844 5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.826 2.049 6.554 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.468 3.028 5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.637 2.432 7.493 1.00 0.00 H new ATOM 1637 N GLN A 105 2.527 6.839 9.159 1.00 0.00 N ATOM 1638 CA GLN A 105 3.923 7.142 9.400 1.00 0.00 C ATOM 1639 C GLN A 105 4.298 6.807 10.842 1.00 0.00 C ATOM 1640 O GLN A 105 5.421 6.391 11.122 1.00 0.00 O ATOM 1641 CB GLN A 105 4.171 8.617 9.084 1.00 0.00 C ATOM 1642 CG GLN A 105 4.816 9.416 10.207 1.00 0.00 C ATOM 1643 CD GLN A 105 5.391 10.738 9.735 1.00 0.00 C ATOM 1644 OE1 GLN A 105 4.701 11.389 8.804 1.00 0.00 O flip ATOM 1645 NE2 GLN A 105 6.444 11.171 10.202 1.00 0.00 N flip ATOM 0 H GLN A 105 1.965 7.640 8.872 1.00 0.00 H new ATOM 0 HA GLN A 105 4.554 6.533 8.752 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.807 8.682 8.201 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.220 9.083 8.827 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.075 9.604 10.984 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.609 8.821 10.660 1.00 0.00 H new ATOM 0 HE21 GLN A 105 6.942 10.639 10.916 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.819 12.062 9.875 1.00 0.00 H new ATOM 1654 N GLN A 106 3.348 6.988 11.754 1.00 0.00 N ATOM 1655 CA GLN A 106 3.586 6.695 13.156 1.00 0.00 C ATOM 1656 C GLN A 106 3.512 5.198 13.408 1.00 0.00 C ATOM 1657 O GLN A 106 4.366 4.628 14.087 1.00 0.00 O ATOM 1658 CB GLN A 106 2.579 7.433 14.041 1.00 0.00 C ATOM 1659 CG GLN A 106 2.992 8.857 14.375 1.00 0.00 C ATOM 1660 CD GLN A 106 3.647 8.969 15.738 1.00 0.00 C ATOM 1661 OE1 GLN A 106 4.570 8.221 16.059 1.00 0.00 O ATOM 1662 NE2 GLN A 106 3.170 9.907 16.548 1.00 0.00 N ATOM 0 H GLN A 106 2.412 7.335 11.545 1.00 0.00 H new ATOM 0 HA GLN A 106 4.588 7.041 13.411 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.612 7.452 13.538 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.445 6.875 14.968 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.682 9.219 13.613 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.115 9.503 14.343 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.403 10.505 16.240 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.570 10.029 17.478 1.00 0.00 H new ATOM 1671 N ILE A 107 2.490 4.568 12.846 1.00 0.00 N ATOM 1672 CA ILE A 107 2.305 3.135 12.998 1.00 0.00 C ATOM 1673 C ILE A 107 3.452 2.393 12.335 1.00 0.00 C ATOM 1674 O ILE A 107 4.069 1.515 12.938 1.00 0.00 O ATOM 1675 CB ILE A 107 0.968 2.666 12.400 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -0.113 3.724 12.628 1.00 0.00 C ATOM 1677 CG2 ILE A 107 0.561 1.335 13.018 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -1.513 3.244 12.333 1.00 0.00 C ATOM 0 H ILE A 107 1.777 5.029 12.281 1.00 0.00 H new ATOM 0 HA ILE A 107 2.290 2.914 14.065 1.00 0.00 H new ATOM 0 HB ILE A 107 1.087 2.526 11.326 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.066 4.060 13.664 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.103 4.590 12.002 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.387 1.010 12.589 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.328 0.588 12.812 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.450 1.453 14.096 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -2.221 4.051 12.519 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.580 2.936 11.290 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.751 2.397 12.977 1.00 0.00 H new ATOM 1690 N ILE A 108 3.762 2.779 11.099 1.00 0.00 N ATOM 1691 CA ILE A 108 4.871 2.175 10.375 1.00 0.00 C ATOM 1692 C ILE A 108 6.121 2.268 11.226 1.00 0.00 C ATOM 1693 O ILE A 108 6.927 1.342 11.293 1.00 0.00 O ATOM 1694 CB ILE A 108 5.100 2.870 9.014 1.00 0.00 C ATOM 1695 CG1 ILE A 108 5.611 1.867 7.981 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.062 4.044 9.138 1.00 0.00 C ATOM 1697 CD1 ILE A 108 4.667 0.712 7.742 1.00 0.00 C ATOM 0 H ILE A 108 3.262 3.503 10.583 1.00 0.00 H new ATOM 0 HA ILE A 108 4.633 1.131 10.174 1.00 0.00 H new ATOM 0 HB ILE A 108 4.140 3.263 8.678 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.784 2.385 7.038 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.574 1.476 8.311 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.198 4.507 8.161 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.654 4.777 9.834 1.00 0.00 H new ATOM 0 HG23 ILE A 108 7.024 3.689 9.508 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.095 0.041 6.997 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.513 0.169 8.674 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.711 1.092 7.381 1.00 0.00 H new ATOM 1709 N SER A 109 6.240 3.400 11.903 1.00 0.00 N ATOM 1710 CA SER A 109 7.360 3.643 12.796 1.00 0.00 C ATOM 1711 C SER A 109 7.295 2.673 13.969 1.00 0.00 C ATOM 1712 O SER A 109 8.321 2.197 14.453 1.00 0.00 O ATOM 1713 CB SER A 109 7.339 5.087 13.302 1.00 0.00 C ATOM 1714 OG SER A 109 8.116 5.931 12.470 1.00 0.00 O ATOM 0 H SER A 109 5.570 4.168 11.850 1.00 0.00 H new ATOM 0 HA SER A 109 8.290 3.486 12.250 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.311 5.449 13.334 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.722 5.124 14.322 1.00 0.00 H new ATOM 0 HG SER A 109 7.547 6.315 11.771 1.00 0.00 H new ATOM 1720 N ARG A 110 6.073 2.376 14.413 1.00 0.00 N ATOM 1721 CA ARG A 110 5.870 1.452 15.521 1.00 0.00 C ATOM 1722 C ARG A 110 6.293 0.041 15.125 1.00 0.00 C ATOM 1723 O ARG A 110 7.018 -0.630 15.859 1.00 0.00 O ATOM 1724 CB ARG A 110 4.401 1.447 15.954 1.00 0.00 C ATOM 1725 CG ARG A 110 3.891 2.803 16.414 1.00 0.00 C ATOM 1726 CD ARG A 110 2.890 2.663 17.548 1.00 0.00 C ATOM 1727 NE ARG A 110 2.368 3.958 17.981 1.00 0.00 N ATOM 1728 CZ ARG A 110 1.338 4.102 18.812 1.00 0.00 C ATOM 1729 NH1 ARG A 110 0.717 3.036 19.301 1.00 0.00 N ATOM 1730 NH2 ARG A 110 0.928 5.315 19.155 1.00 0.00 N ATOM 0 H ARG A 110 5.214 2.762 14.022 1.00 0.00 H new ATOM 0 HA ARG A 110 6.485 1.785 16.357 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.788 1.102 15.121 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.273 0.728 16.763 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.730 3.417 16.741 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.424 3.321 15.576 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.064 2.029 17.226 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.366 2.163 18.392 1.00 0.00 H new ATOM 0 HE ARG A 110 2.819 4.801 17.626 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.028 2.100 19.041 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.072 3.152 19.937 1.00 0.00 H new ATOM 0 HH21 ARG A 110 1.402 6.138 18.782 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.139 5.426 19.792 1.00 0.00 H new ATOM 1744 N TYR A 111 5.835 -0.400 13.957 1.00 0.00 N ATOM 1745 CA TYR A 111 6.167 -1.730 13.460 1.00 0.00 C ATOM 1746 C TYR A 111 7.655 -1.831 13.143 1.00 0.00 C ATOM 1747 O TYR A 111 8.255 -2.899 13.265 1.00 0.00 O ATOM 1748 CB TYR A 111 5.341 -2.054 12.214 1.00 0.00 C ATOM 1749 CG TYR A 111 3.932 -2.506 12.523 1.00 0.00 C ATOM 1750 CD1 TYR A 111 2.932 -1.585 12.811 1.00 0.00 C ATOM 1751 CD2 TYR A 111 3.603 -3.855 12.524 1.00 0.00 C ATOM 1752 CE1 TYR A 111 1.643 -1.998 13.093 1.00 0.00 C ATOM 1753 CE2 TYR A 111 2.318 -4.276 12.803 1.00 0.00 C ATOM 1754 CZ TYR A 111 1.342 -3.345 13.087 1.00 0.00 C ATOM 1755 OH TYR A 111 0.060 -3.764 13.361 1.00 0.00 O ATOM 0 H TYR A 111 5.234 0.144 13.338 1.00 0.00 H new ATOM 0 HA TYR A 111 5.929 -2.455 14.239 1.00 0.00 H new ATOM 0 HB2 TYR A 111 5.299 -1.171 11.576 1.00 0.00 H new ATOM 0 HB3 TYR A 111 5.847 -2.834 11.645 1.00 0.00 H new ATOM 0 HD1 TYR A 111 3.165 -0.531 12.815 1.00 0.00 H new ATOM 0 HD2 TYR A 111 4.365 -4.587 12.303 1.00 0.00 H new ATOM 0 HE1 TYR A 111 0.876 -1.271 13.317 1.00 0.00 H new ATOM 0 HE2 TYR A 111 2.079 -5.329 12.799 1.00 0.00 H new ATOM 0 HH TYR A 111 0.019 -4.742 13.314 1.00 0.00 H new ATOM 1765 N LYS A 112 8.245 -0.711 12.738 1.00 0.00 N ATOM 1766 CA LYS A 112 9.664 -0.673 12.407 1.00 0.00 C ATOM 1767 C LYS A 112 10.513 -0.658 13.675 1.00 0.00 C ATOM 1768 O LYS A 112 11.636 -1.164 13.688 1.00 0.00 O ATOM 1769 CB LYS A 112 9.980 0.555 11.549 1.00 0.00 C ATOM 1770 CG LYS A 112 10.330 0.215 10.109 1.00 0.00 C ATOM 1771 CD LYS A 112 9.085 0.038 9.255 1.00 0.00 C ATOM 1772 CE LYS A 112 9.067 1.011 8.087 1.00 0.00 C ATOM 1773 NZ LYS A 112 8.991 2.427 8.543 1.00 0.00 N ATOM 0 H LYS A 112 7.763 0.181 12.631 1.00 0.00 H new ATOM 0 HA LYS A 112 9.905 -1.571 11.838 1.00 0.00 H new ATOM 0 HB2 LYS A 112 9.120 1.225 11.557 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.812 1.098 11.998 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.950 1.007 9.689 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.921 -0.700 10.085 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.043 -0.984 8.879 1.00 0.00 H new ATOM 0 HD3 LYS A 112 8.197 0.189 9.869 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.965 0.872 7.485 1.00 0.00 H new ATOM 0 HE3 LYS A 112 8.215 0.791 7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.274 2.933 7.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.729 2.454 9.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.916 2.883 8.414 1.00 0.00 H new ATOM 1787 N ASP A 113 9.970 -0.074 14.740 1.00 0.00 N ATOM 1788 CA ASP A 113 10.679 0.007 16.012 1.00 0.00 C ATOM 1789 C ASP A 113 10.571 -1.307 16.779 1.00 0.00 C ATOM 1790 O ASP A 113 11.524 -1.740 17.426 1.00 0.00 O ATOM 1791 CB ASP A 113 10.122 1.152 16.858 1.00 0.00 C ATOM 1792 CG ASP A 113 10.827 2.467 16.589 1.00 0.00 C ATOM 1793 OD1 ASP A 113 11.343 2.644 15.465 1.00 0.00 O ATOM 1794 OD2 ASP A 113 10.864 3.319 17.501 1.00 0.00 O ATOM 0 H ASP A 113 9.042 0.349 14.747 1.00 0.00 H new ATOM 0 HA ASP A 113 11.731 0.199 15.802 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.057 1.266 16.654 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.219 0.900 17.914 1.00 0.00 H new ATOM 1799 N ALA A 114 9.403 -1.937 16.701 1.00 0.00 N ATOM 1800 CA ALA A 114 9.170 -3.202 17.388 1.00 0.00 C ATOM 1801 C ALA A 114 10.144 -4.273 16.910 1.00 0.00 C ATOM 1802 O ALA A 114 10.688 -5.034 17.710 1.00 0.00 O ATOM 1803 CB ALA A 114 7.735 -3.659 17.177 1.00 0.00 C ATOM 0 H ALA A 114 8.604 -1.592 16.169 1.00 0.00 H new ATOM 0 HA ALA A 114 9.337 -3.046 18.454 1.00 0.00 H new ATOM 0 HB1 ALA A 114 7.574 -4.604 17.695 1.00 0.00 H new ATOM 0 HB2 ALA A 114 7.052 -2.908 17.573 1.00 0.00 H new ATOM 0 HB3 ALA A 114 7.549 -3.793 16.111 1.00 0.00 H new ATOM 1809 N ASP A 115 10.359 -4.328 15.599 1.00 0.00 N ATOM 1810 CA ASP A 115 11.268 -5.307 15.014 1.00 0.00 C ATOM 1811 C ASP A 115 12.718 -4.850 15.146 1.00 0.00 C ATOM 1812 O ASP A 115 13.596 -5.483 14.523 1.00 0.00 O ATOM 1813 CB ASP A 115 10.926 -5.535 13.541 1.00 0.00 C ATOM 1814 CG ASP A 115 9.917 -6.650 13.348 1.00 0.00 C ATOM 1815 OD1 ASP A 115 8.927 -6.693 14.109 1.00 0.00 O ATOM 1816 OD2 ASP A 115 10.117 -7.481 12.437 1.00 0.00 O ATOM 1817 OXT ASP A 115 12.963 -3.863 15.872 1.00 0.00 O ATOM 0 H ASP A 115 9.916 -3.706 14.922 1.00 0.00 H new ATOM 0 HA ASP A 115 11.150 -6.245 15.557 1.00 0.00 H new ATOM 0 HB2 ASP A 115 10.530 -4.613 13.116 1.00 0.00 H new ATOM 0 HB3 ASP A 115 11.837 -5.774 12.992 1.00 0.00 H new ATOM 2088 N PHE B 475 3.251 1.778 -11.587 1.00 0.00 N ATOM 2089 CA PHE B 475 2.819 2.663 -10.517 1.00 0.00 C ATOM 2090 C PHE B 475 3.741 2.551 -9.316 1.00 0.00 C ATOM 2091 O PHE B 475 3.903 3.510 -8.561 1.00 0.00 O ATOM 2092 CB PHE B 475 1.349 2.405 -10.126 1.00 0.00 C ATOM 2093 CG PHE B 475 1.080 1.182 -9.278 1.00 0.00 C ATOM 2094 CD1 PHE B 475 1.752 0.943 -8.085 1.00 0.00 C ATOM 2095 CD2 PHE B 475 0.114 0.277 -9.678 1.00 0.00 C ATOM 2096 CE1 PHE B 475 1.463 -0.172 -7.322 1.00 0.00 C ATOM 2097 CE2 PHE B 475 -0.175 -0.839 -8.922 1.00 0.00 C ATOM 2098 CZ PHE B 475 0.499 -1.064 -7.744 1.00 0.00 C ATOM 0 HA PHE B 475 2.877 3.686 -10.889 1.00 0.00 H new ATOM 0 HB2 PHE B 475 0.980 3.279 -9.590 1.00 0.00 H new ATOM 0 HB3 PHE B 475 0.762 2.321 -11.041 1.00 0.00 H new ATOM 0 HD1 PHE B 475 2.509 1.637 -7.751 1.00 0.00 H new ATOM 0 HD2 PHE B 475 -0.424 0.447 -10.599 1.00 0.00 H new ATOM 0 HE1 PHE B 475 1.991 -0.345 -6.396 1.00 0.00 H new ATOM 0 HE2 PHE B 475 -0.930 -1.536 -9.254 1.00 0.00 H new ATOM 0 HZ PHE B 475 0.274 -1.938 -7.150 1.00 0.00 H new ATOM 2108 N GLU B 476 4.350 1.383 -9.135 1.00 0.00 N ATOM 2109 CA GLU B 476 5.249 1.187 -8.012 1.00 0.00 C ATOM 2110 C GLU B 476 6.503 2.034 -8.165 1.00 0.00 C ATOM 2111 O GLU B 476 7.109 2.441 -7.174 1.00 0.00 O ATOM 2112 CB GLU B 476 5.620 -0.280 -7.849 1.00 0.00 C ATOM 2113 CG GLU B 476 4.446 -1.155 -7.448 1.00 0.00 C ATOM 2114 CD GLU B 476 4.874 -2.545 -7.018 1.00 0.00 C ATOM 2115 OE1 GLU B 476 5.895 -2.659 -6.309 1.00 0.00 O ATOM 2116 OE2 GLU B 476 4.188 -3.519 -7.392 1.00 0.00 O ATOM 0 H GLU B 476 4.238 0.572 -9.743 1.00 0.00 H new ATOM 0 HA GLU B 476 4.722 1.506 -7.113 1.00 0.00 H new ATOM 0 HB2 GLU B 476 6.036 -0.649 -8.787 1.00 0.00 H new ATOM 0 HB3 GLU B 476 6.404 -0.368 -7.097 1.00 0.00 H new ATOM 0 HG2 GLU B 476 3.904 -0.677 -6.632 1.00 0.00 H new ATOM 0 HG3 GLU B 476 3.754 -1.235 -8.287 1.00 0.00 H new ATOM 2123 N GLN B 477 6.878 2.320 -9.407 1.00 0.00 N ATOM 2124 CA GLN B 477 8.052 3.147 -9.663 1.00 0.00 C ATOM 2125 C GLN B 477 7.843 4.515 -9.047 1.00 0.00 C ATOM 2126 O GLN B 477 8.674 4.989 -8.272 1.00 0.00 O ATOM 2127 CB GLN B 477 8.321 3.268 -11.164 1.00 0.00 C ATOM 2128 CG GLN B 477 9.181 2.145 -11.720 1.00 0.00 C ATOM 2129 CD GLN B 477 10.641 2.535 -11.844 1.00 0.00 C ATOM 2130 OE1 GLN B 477 11.454 2.223 -10.975 1.00 0.00 O ATOM 2131 NE2 GLN B 477 10.980 3.222 -12.929 1.00 0.00 N ATOM 0 H GLN B 477 6.393 1.996 -10.244 1.00 0.00 H new ATOM 0 HA GLN B 477 8.924 2.675 -9.209 1.00 0.00 H new ATOM 0 HB2 GLN B 477 7.369 3.283 -11.695 1.00 0.00 H new ATOM 0 HB3 GLN B 477 8.811 4.221 -11.361 1.00 0.00 H new ATOM 0 HG2 GLN B 477 9.096 1.272 -11.072 1.00 0.00 H new ATOM 0 HG3 GLN B 477 8.802 1.853 -12.700 1.00 0.00 H new ATOM 0 HE21 GLN B 477 10.272 3.459 -13.624 1.00 0.00 H new ATOM 0 HE22 GLN B 477 11.948 3.512 -13.067 1.00 0.00 H new ATOM 2140 N MET B 478 6.702 5.126 -9.343 1.00 0.00 N ATOM 2141 CA MET B 478 6.381 6.409 -8.750 1.00 0.00 C ATOM 2142 C MET B 478 6.251 6.215 -7.244 1.00 0.00 C ATOM 2143 O MET B 478 6.395 7.154 -6.460 1.00 0.00 O ATOM 2144 CB MET B 478 5.079 6.966 -9.331 1.00 0.00 C ATOM 2145 CG MET B 478 5.293 7.927 -10.490 1.00 0.00 C ATOM 2146 SD MET B 478 6.056 9.477 -9.974 1.00 0.00 S ATOM 2147 CE MET B 478 4.716 10.223 -9.048 1.00 0.00 C ATOM 0 H MET B 478 5.996 4.757 -9.981 1.00 0.00 H new ATOM 0 HA MET B 478 7.171 7.126 -8.971 1.00 0.00 H new ATOM 0 HB2 MET B 478 4.457 6.137 -9.667 1.00 0.00 H new ATOM 0 HB3 MET B 478 4.528 7.478 -8.542 1.00 0.00 H new ATOM 0 HG2 MET B 478 5.922 7.450 -11.242 1.00 0.00 H new ATOM 0 HG3 MET B 478 4.334 8.138 -10.964 1.00 0.00 H new ATOM 0 HE1 MET B 478 4.504 11.214 -9.449 1.00 0.00 H new ATOM 0 HE2 MET B 478 3.825 9.600 -9.131 1.00 0.00 H new ATOM 0 HE3 MET B 478 5.002 10.309 -8.000 1.00 0.00 H new ATOM 2157 N PHE B 479 5.977 4.965 -6.859 1.00 0.00 N ATOM 2158 CA PHE B 479 5.822 4.593 -5.467 1.00 0.00 C ATOM 2159 C PHE B 479 7.089 3.967 -4.896 1.00 0.00 C ATOM 2160 O PHE B 479 7.016 3.115 -4.010 1.00 0.00 O ATOM 2161 CB PHE B 479 4.674 3.608 -5.327 1.00 0.00 C ATOM 2162 CG PHE B 479 3.345 4.282 -5.259 1.00 0.00 C ATOM 2163 CD1 PHE B 479 3.109 5.266 -4.319 1.00 0.00 C ATOM 2164 CD2 PHE B 479 2.337 3.936 -6.134 1.00 0.00 C ATOM 2165 CE1 PHE B 479 1.885 5.894 -4.250 1.00 0.00 C ATOM 2166 CE2 PHE B 479 1.108 4.559 -6.073 1.00 0.00 C ATOM 2167 CZ PHE B 479 0.881 5.538 -5.127 1.00 0.00 C ATOM 0 H PHE B 479 5.858 4.189 -7.511 1.00 0.00 H new ATOM 0 HA PHE B 479 5.615 5.504 -4.906 1.00 0.00 H new ATOM 0 HB2 PHE B 479 4.685 2.920 -6.172 1.00 0.00 H new ATOM 0 HB3 PHE B 479 4.821 3.010 -4.427 1.00 0.00 H new ATOM 0 HD1 PHE B 479 3.893 5.546 -3.631 1.00 0.00 H new ATOM 0 HD2 PHE B 479 2.512 3.169 -6.875 1.00 0.00 H new ATOM 0 HE1 PHE B 479 1.712 6.663 -3.512 1.00 0.00 H new ATOM 0 HE2 PHE B 479 0.325 4.282 -6.764 1.00 0.00 H new ATOM 0 HZ PHE B 479 -0.081 6.025 -5.073 1.00 0.00 H new ATOM 2177 N THR B 480 8.248 4.388 -5.386 1.00 0.00 N ATOM 2178 CA THR B 480 9.500 3.853 -4.890 1.00 0.00 C ATOM 2179 C THR B 480 10.345 4.969 -4.293 1.00 0.00 C ATOM 2180 O THR B 480 10.948 5.768 -5.009 1.00 0.00 O ATOM 2181 CB THR B 480 10.267 3.152 -6.013 1.00 0.00 C ATOM 2182 OG1 THR B 480 9.494 2.104 -6.570 1.00 0.00 O ATOM 2183 CG2 THR B 480 11.584 2.559 -5.559 1.00 0.00 C ATOM 0 H THR B 480 8.343 5.091 -6.119 1.00 0.00 H new ATOM 0 HA THR B 480 9.281 3.121 -4.113 1.00 0.00 H new ATOM 0 HB THR B 480 10.471 3.928 -6.751 1.00 0.00 H new ATOM 0 HG1 THR B 480 8.565 2.188 -6.271 1.00 0.00 H new ATOM 0 HG21 THR B 480 12.076 2.077 -6.404 1.00 0.00 H new ATOM 0 HG22 THR B 480 12.224 3.350 -5.169 1.00 0.00 H new ATOM 0 HG23 THR B 480 11.401 1.822 -4.777 1.00 0.00 H new ATOM 2191 N ASP B 481 10.367 5.011 -2.960 1.00 0.00 N ATOM 2192 CA ASP B 481 11.116 6.020 -2.217 1.00 0.00 C ATOM 2193 C ASP B 481 10.947 7.407 -2.837 1.00 0.00 C ATOM 2194 O ASP B 481 11.926 8.072 -3.175 1.00 0.00 O ATOM 2195 CB ASP B 481 12.598 5.647 -2.156 1.00 0.00 C ATOM 2196 CG ASP B 481 13.222 5.974 -0.814 1.00 0.00 C ATOM 2197 OD1 ASP B 481 12.477 6.045 0.186 1.00 0.00 O ATOM 2198 OD2 ASP B 481 14.456 6.159 -0.762 1.00 0.00 O ATOM 0 H ASP B 481 9.867 4.348 -2.368 1.00 0.00 H new ATOM 0 HA ASP B 481 10.716 6.052 -1.204 1.00 0.00 H new ATOM 0 HB2 ASP B 481 12.710 4.581 -2.356 1.00 0.00 H new ATOM 0 HB3 ASP B 481 13.136 6.177 -2.942 1.00 0.00 H new ATOM 2203 N ALA B 482 9.697 7.836 -2.980 1.00 0.00 N ATOM 2204 CA ALA B 482 9.398 9.141 -3.556 1.00 0.00 C ATOM 2205 C ALA B 482 9.900 10.268 -2.659 1.00 0.00 C ATOM 2206 O ALA B 482 10.195 11.365 -3.132 1.00 0.00 O ATOM 2207 CB ALA B 482 7.902 9.281 -3.794 1.00 0.00 C ATOM 0 H ALA B 482 8.875 7.298 -2.705 1.00 0.00 H new ATOM 0 HA ALA B 482 9.917 9.216 -4.512 1.00 0.00 H new ATOM 0 HB1 ALA B 482 7.692 10.260 -4.224 1.00 0.00 H new ATOM 0 HB2 ALA B 482 7.569 8.503 -4.481 1.00 0.00 H new ATOM 0 HB3 ALA B 482 7.372 9.180 -2.847 1.00 0.00 H new