USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 844 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 1 MET CE :methyl -171:sc= -1.55 (180deg=-0.664) USER MOD Set 1.2: B 50 LYS NZ :NH3+ -174:sc= -1.15 (180deg=0.16) USER MOD Set 2.1: A 4 LYS NZ :NH3+ -134:sc= -2.62! (180deg=-5.56!) USER MOD Set 2.2: B 49 THR OG1 : rot -64:sc= 0.0633 USER MOD Set 2.3: B 51 THR OG1 : rot 63:sc= 1.05 USER MOD Set 3.1: B 44 THR OG1 : rot 180:sc= 0.965 USER MOD Set 3.2: B 53 THR OG1 : rot 59:sc= 1.03 USER MOD Set 4.1: A 49 THR OG1 : rot -64:sc= 0.0642 USER MOD Set 4.2: A 51 THR OG1 : rot 63:sc= 1.04 USER MOD Set 4.3: B 4 LYS NZ :NH3+ -130:sc= -2.6! (180deg=-5.5!) USER MOD Set 5.1: A 50 LYS NZ :NH3+ 176:sc= -1.2 (180deg=0.139) USER MOD Set 5.2: B 1 MET CE :methyl -168:sc= -1.67 (180deg=-0.778) USER MOD Set 6.1: A 44 THR OG1 : rot 180:sc= 0.895 USER MOD Set 6.2: A 53 THR OG1 : rot 89:sc= 1.16 USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.106) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 TYR OH : rot -130:sc= -3.35 USER MOD Single : A 8 ASN : amide:sc= -0.411 K(o=-0.41,f=-2.6!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -163:sc= -4.14! USER MOD Single : A 13 LYS NZ :NH3+ -167:sc= -0.0281 (180deg=-0.262) USER MOD Single : A 16 THR OG1 : rot 150:sc= -5.32! USER MOD Single : A 17 THR OG1 : rot -15:sc= 0.338 USER MOD Single : A 18 THR OG1 : rot 30:sc= -1.19 USER MOD Single : A 25 THR OG1 : rot -19:sc= -1.18! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0164 F(o=-1.4,f=-0.016) USER MOD Single : A 35 ASN : amide:sc= -3.67! C(o=-3.7!,f=-3.5!) USER MOD Single : A 37 ASN : amide:sc= -6.7! C(o=-6.7!,f=-7.4!) USER MOD Single : A 45 TYR OH : rot 86:sc= -0.292 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ -168:sc= 0 (180deg=-0.136) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 3 TYR OH : rot -130:sc= -3.31 USER MOD Single : B 8 ASN : amide:sc= -0.384 K(o=-0.38,f=-2.6!) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot -162:sc= -4.14! USER MOD Single : B 13 LYS NZ :NH3+ -166:sc= -0.0217 (180deg=-0.252) USER MOD Single : B 16 THR OG1 : rot 150:sc= -5.27! USER MOD Single : B 17 THR OG1 : rot -15:sc= 0.354 USER MOD Single : B 18 THR OG1 : rot 36:sc= -1.17 USER MOD Single : B 25 THR OG1 : rot -18:sc= -1.15! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 GLN :FLIP amide:sc=-0.00203 F(o=-1.4,f=-0.002) USER MOD Single : B 35 ASN : amide:sc= -3.58! C(o=-3.6!,f=-3.5!) USER MOD Single : B 37 ASN : amide:sc= -6.83! C(o=-6.8!,f=-7.4!) USER MOD Single : B 45 TYR OH : rot 86:sc= -0.295 USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.736 -18.553 2.181 1.00 0.00 N ATOM 2 CA MET A 1 7.358 -17.696 1.138 1.00 0.00 C ATOM 3 C MET A 1 6.931 -16.239 1.280 1.00 0.00 C ATOM 4 O MET A 1 5.800 -15.944 1.668 1.00 0.00 O ATOM 5 CB MET A 1 6.951 -18.228 -0.239 1.00 0.00 C ATOM 6 CG MET A 1 7.570 -19.570 -0.584 1.00 0.00 C ATOM 7 SD MET A 1 9.369 -19.496 -0.689 1.00 0.00 S ATOM 8 CE MET A 1 9.586 -18.345 -2.046 1.00 0.00 C ATOM 0 H1 MET A 1 7.186 -19.491 2.174 1.00 0.00 H new ATOM 0 H2 MET A 1 6.867 -18.114 3.115 1.00 0.00 H new ATOM 0 H3 MET A 1 5.720 -18.655 1.986 1.00 0.00 H new ATOM 0 HA MET A 1 8.441 -17.731 1.255 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.865 -18.318 -0.277 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.237 -17.500 -0.998 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.283 -20.303 0.170 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.168 -19.918 -1.536 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.636 -18.318 -2.336 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.983 -18.666 -2.895 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.271 -17.350 -1.733 1.00 0.00 H new ATOM 20 N GLN A 2 7.844 -15.335 0.948 1.00 0.00 N ATOM 21 CA GLN A 2 7.578 -13.906 1.017 1.00 0.00 C ATOM 22 C GLN A 2 7.392 -13.338 -0.384 1.00 0.00 C ATOM 23 O GLN A 2 8.044 -13.776 -1.332 1.00 0.00 O ATOM 24 CB GLN A 2 8.727 -13.182 1.724 1.00 0.00 C ATOM 25 CG GLN A 2 8.530 -11.677 1.825 1.00 0.00 C ATOM 26 CD GLN A 2 9.691 -10.980 2.508 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.830 -11.051 2.046 1.00 0.00 O ATOM 28 NE2 GLN A 2 9.406 -10.297 3.611 1.00 0.00 N ATOM 0 H GLN A 2 8.783 -15.570 0.626 1.00 0.00 H new ATOM 0 HA GLN A 2 6.662 -13.752 1.588 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.841 -13.593 2.727 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.655 -13.383 1.189 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.401 -11.264 0.825 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.612 -11.471 2.376 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.447 -10.265 3.958 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.146 -9.804 4.111 1.00 0.00 H new ATOM 37 N TYR A 3 6.505 -12.362 -0.513 1.00 0.00 N ATOM 38 CA TYR A 3 6.242 -11.738 -1.803 1.00 0.00 C ATOM 39 C TYR A 3 6.407 -10.230 -1.714 1.00 0.00 C ATOM 40 O TYR A 3 6.061 -9.619 -0.705 1.00 0.00 O ATOM 41 CB TYR A 3 4.831 -12.076 -2.286 1.00 0.00 C ATOM 42 CG TYR A 3 4.579 -13.557 -2.449 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.455 -14.386 -1.343 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.460 -14.126 -3.712 1.00 0.00 C ATOM 45 CE1 TYR A 3 4.220 -15.741 -1.489 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.225 -15.478 -3.866 1.00 0.00 C ATOM 47 CZ TYR A 3 4.105 -16.280 -2.752 1.00 0.00 C ATOM 48 OH TYR A 3 3.872 -17.628 -2.901 1.00 0.00 O ATOM 0 H TYR A 3 5.955 -11.985 0.259 1.00 0.00 H new ATOM 0 HA TYR A 3 6.965 -12.129 -2.519 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.108 -11.670 -1.578 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.656 -11.580 -3.241 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.543 -13.966 -0.352 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.553 -13.500 -4.587 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.127 -16.373 -0.618 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.136 -15.904 -4.854 1.00 0.00 H new ATOM 0 HH TYR A 3 4.514 -18.002 -3.540 1.00 0.00 H new ATOM 58 N LYS A 4 6.927 -9.630 -2.777 1.00 0.00 N ATOM 59 CA LYS A 4 7.122 -8.188 -2.814 1.00 0.00 C ATOM 60 C LYS A 4 6.081 -7.540 -3.714 1.00 0.00 C ATOM 61 O LYS A 4 6.123 -7.687 -4.933 1.00 0.00 O ATOM 62 CB LYS A 4 8.531 -7.848 -3.305 1.00 0.00 C ATOM 63 CG LYS A 4 8.815 -6.356 -3.342 1.00 0.00 C ATOM 64 CD LYS A 4 10.277 -6.057 -3.647 1.00 0.00 C ATOM 65 CE LYS A 4 10.690 -6.556 -5.025 1.00 0.00 C ATOM 66 NZ LYS A 4 10.795 -8.042 -5.083 1.00 0.00 N ATOM 0 H LYS A 4 7.220 -10.119 -3.623 1.00 0.00 H new ATOM 0 HA LYS A 4 7.005 -7.798 -1.803 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.260 -8.333 -2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.669 -8.261 -4.304 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.185 -5.886 -4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.548 -5.913 -2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.447 -4.982 -3.586 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.907 -6.523 -2.890 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.964 -6.217 -5.764 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.650 -6.116 -5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.678 -8.309 -5.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.796 -8.428 -4.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.985 -8.427 -5.609 1.00 0.00 H new ATOM 80 N VAL A 5 5.136 -6.835 -3.109 1.00 0.00 N ATOM 81 CA VAL A 5 4.080 -6.184 -3.866 1.00 0.00 C ATOM 82 C VAL A 5 4.427 -4.728 -4.166 1.00 0.00 C ATOM 83 O VAL A 5 4.837 -3.975 -3.285 1.00 0.00 O ATOM 84 CB VAL A 5 2.730 -6.249 -3.121 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.624 -5.613 -3.951 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.385 -7.691 -2.777 1.00 0.00 C ATOM 0 H VAL A 5 5.080 -6.700 -2.100 1.00 0.00 H new ATOM 0 HA VAL A 5 3.988 -6.725 -4.808 1.00 0.00 H new ATOM 0 HB VAL A 5 2.821 -5.685 -2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.682 -5.670 -3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.869 -4.569 -4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.528 -6.144 -4.898 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.430 -7.721 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.314 -8.277 -3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.164 -8.109 -2.139 1.00 0.00 H new ATOM 96 N ILE A 6 4.250 -4.349 -5.423 1.00 0.00 N ATOM 97 CA ILE A 6 4.524 -2.994 -5.869 1.00 0.00 C ATOM 98 C ILE A 6 3.228 -2.201 -5.996 1.00 0.00 C ATOM 99 O ILE A 6 2.366 -2.524 -6.812 1.00 0.00 O ATOM 100 CB ILE A 6 5.268 -2.992 -7.224 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.691 -3.520 -7.042 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.288 -1.597 -7.837 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.466 -3.623 -8.339 1.00 0.00 C ATOM 0 H ILE A 6 3.914 -4.970 -6.159 1.00 0.00 H new ATOM 0 HA ILE A 6 5.162 -2.523 -5.121 1.00 0.00 H new ATOM 0 HB ILE A 6 4.733 -3.649 -7.910 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.229 -2.864 -6.357 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.648 -4.503 -6.574 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.818 -1.626 -8.789 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.265 -1.257 -8.001 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.795 -0.909 -7.160 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.467 -4.004 -8.136 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.950 -4.302 -9.018 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.540 -2.637 -8.798 1.00 0.00 H new ATOM 115 N LEU A 7 3.102 -1.161 -5.183 1.00 0.00 N ATOM 116 CA LEU A 7 1.915 -0.321 -5.204 1.00 0.00 C ATOM 117 C LEU A 7 2.160 0.888 -6.108 1.00 0.00 C ATOM 118 O LEU A 7 2.663 1.920 -5.659 1.00 0.00 O ATOM 119 CB LEU A 7 1.560 0.116 -3.777 1.00 0.00 C ATOM 120 CG LEU A 7 1.734 -0.969 -2.711 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.233 -0.475 -1.363 1.00 0.00 C ATOM 122 CD2 LEU A 7 1.011 -2.241 -3.125 1.00 0.00 C ATOM 0 H LEU A 7 3.807 -0.880 -4.502 1.00 0.00 H new ATOM 0 HA LEU A 7 1.072 -0.884 -5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.180 0.971 -3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.525 0.456 -3.763 1.00 0.00 H new ATOM 0 HG LEU A 7 2.796 -1.197 -2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.364 -1.259 -0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.799 0.408 -1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.176 -0.219 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.145 -3.002 -2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.052 -2.032 -3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.421 -2.602 -4.068 1.00 0.00 H new ATOM 134 N ASN A 8 1.837 0.733 -7.392 1.00 0.00 N ATOM 135 CA ASN A 8 2.049 1.784 -8.386 1.00 0.00 C ATOM 136 C ASN A 8 0.773 2.579 -8.656 1.00 0.00 C ATOM 137 O ASN A 8 -0.134 2.092 -9.324 1.00 0.00 O ATOM 138 CB ASN A 8 2.540 1.153 -9.690 1.00 0.00 C ATOM 139 CG ASN A 8 3.015 2.178 -10.698 1.00 0.00 C ATOM 140 OD1 ASN A 8 2.293 3.117 -11.036 1.00 0.00 O ATOM 141 ND2 ASN A 8 4.230 1.990 -11.197 1.00 0.00 N ATOM 0 H ASN A 8 1.424 -0.119 -7.770 1.00 0.00 H new ATOM 0 HA ASN A 8 2.794 2.474 -7.991 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.354 0.463 -9.470 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.734 0.565 -10.129 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.602 2.638 -11.891 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.792 1.197 -10.886 1.00 0.00 H new ATOM 148 N GLY A 9 0.704 3.804 -8.139 1.00 0.00 N ATOM 149 CA GLY A 9 -0.477 4.625 -8.352 1.00 0.00 C ATOM 150 C GLY A 9 -0.201 5.853 -9.195 1.00 0.00 C ATOM 151 O GLY A 9 0.850 5.960 -9.827 1.00 0.00 O ATOM 0 H GLY A 9 1.438 4.240 -7.581 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.247 4.025 -8.836 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.875 4.936 -7.386 1.00 0.00 H new ATOM 155 N LYS A 10 -1.152 6.782 -9.201 1.00 0.00 N ATOM 156 CA LYS A 10 -1.021 8.014 -9.967 1.00 0.00 C ATOM 157 C LYS A 10 0.004 8.954 -9.336 1.00 0.00 C ATOM 158 O LYS A 10 0.964 9.367 -9.986 1.00 0.00 O ATOM 159 CB LYS A 10 -2.372 8.726 -10.070 1.00 0.00 C ATOM 160 CG LYS A 10 -3.327 8.098 -11.074 1.00 0.00 C ATOM 161 CD LYS A 10 -2.863 8.322 -12.503 1.00 0.00 C ATOM 162 CE LYS A 10 -2.840 9.799 -12.855 1.00 0.00 C ATOM 163 NZ LYS A 10 -2.451 10.029 -14.273 1.00 0.00 N ATOM 0 H LYS A 10 -2.026 6.703 -8.681 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.676 7.745 -10.965 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.845 8.730 -9.088 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.203 9.767 -10.347 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.408 7.028 -10.880 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.323 8.521 -10.944 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.866 7.900 -12.634 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.525 7.794 -13.189 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.825 10.230 -12.675 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.141 10.317 -12.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.448 11.050 -14.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.500 9.641 -14.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.132 9.557 -14.901 1.00 0.00 H new ATOM 177 N THR A 11 -0.219 9.301 -8.073 1.00 0.00 N ATOM 178 CA THR A 11 0.660 10.203 -7.351 1.00 0.00 C ATOM 179 C THR A 11 1.350 9.490 -6.197 1.00 0.00 C ATOM 180 O THR A 11 1.901 10.129 -5.303 1.00 0.00 O ATOM 181 CB THR A 11 -0.158 11.373 -6.809 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.402 10.920 -6.304 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.446 12.439 -7.838 1.00 0.00 C ATOM 0 H THR A 11 -1.012 8.965 -7.526 1.00 0.00 H new ATOM 0 HA THR A 11 1.426 10.564 -8.037 1.00 0.00 H new ATOM 0 HB THR A 11 0.458 11.811 -6.023 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.014 11.680 -6.213 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.030 13.237 -7.381 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.493 12.846 -8.213 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.009 12.005 -8.664 1.00 0.00 H new ATOM 191 N LEU A 12 1.305 8.166 -6.213 1.00 0.00 N ATOM 192 CA LEU A 12 1.915 7.385 -5.156 1.00 0.00 C ATOM 193 C LEU A 12 2.622 6.157 -5.712 1.00 0.00 C ATOM 194 O LEU A 12 2.119 5.487 -6.613 1.00 0.00 O ATOM 195 CB LEU A 12 0.852 6.972 -4.137 1.00 0.00 C ATOM 196 CG LEU A 12 1.359 6.102 -2.994 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.542 6.773 -2.324 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.245 5.840 -1.989 1.00 0.00 C ATOM 0 H LEU A 12 0.854 7.616 -6.944 1.00 0.00 H new ATOM 0 HA LEU A 12 2.665 8.004 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.404 7.872 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.060 6.435 -4.658 1.00 0.00 H new ATOM 0 HG LEU A 12 1.683 5.142 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.901 6.147 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.341 6.913 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.236 7.742 -1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.625 5.217 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.109 6.788 -1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.579 5.328 -2.485 1.00 0.00 H new ATOM 210 N LYS A 13 3.793 5.868 -5.158 1.00 0.00 N ATOM 211 CA LYS A 13 4.582 4.720 -5.581 1.00 0.00 C ATOM 212 C LYS A 13 5.315 4.118 -4.390 1.00 0.00 C ATOM 213 O LYS A 13 5.745 4.841 -3.490 1.00 0.00 O ATOM 214 CB LYS A 13 5.576 5.133 -6.667 1.00 0.00 C ATOM 215 CG LYS A 13 4.915 5.745 -7.893 1.00 0.00 C ATOM 216 CD LYS A 13 5.937 6.130 -8.949 1.00 0.00 C ATOM 217 CE LYS A 13 5.270 6.738 -10.173 1.00 0.00 C ATOM 218 NZ LYS A 13 4.306 5.798 -10.808 1.00 0.00 N ATOM 0 H LYS A 13 4.218 6.417 -4.411 1.00 0.00 H new ATOM 0 HA LYS A 13 3.912 3.966 -5.993 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.282 5.850 -6.249 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.152 4.260 -6.972 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.205 5.035 -8.316 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.347 6.627 -7.598 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.646 6.843 -8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.507 5.249 -9.244 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.750 7.652 -9.886 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.033 7.020 -10.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.041 6.155 -11.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.747 4.861 -10.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.455 5.720 -10.215 1.00 0.00 H new ATOM 232 N GLY A 14 5.456 2.797 -4.376 1.00 0.00 N ATOM 233 CA GLY A 14 6.140 2.151 -3.272 1.00 0.00 C ATOM 234 C GLY A 14 6.258 0.650 -3.429 1.00 0.00 C ATOM 235 O GLY A 14 5.972 0.101 -4.492 1.00 0.00 O ATOM 0 H GLY A 14 5.113 2.168 -5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.138 2.578 -3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.607 2.371 -2.347 1.00 0.00 H new ATOM 239 N GLU A 15 6.683 -0.010 -2.356 1.00 0.00 N ATOM 240 CA GLU A 15 6.845 -1.456 -2.355 1.00 0.00 C ATOM 241 C GLU A 15 6.500 -2.037 -0.989 1.00 0.00 C ATOM 242 O GLU A 15 6.884 -1.494 0.047 1.00 0.00 O ATOM 243 CB GLU A 15 8.276 -1.833 -2.745 1.00 0.00 C ATOM 244 CG GLU A 15 8.670 -1.351 -4.132 1.00 0.00 C ATOM 245 CD GLU A 15 10.079 -1.760 -4.513 1.00 0.00 C ATOM 246 OE1 GLU A 15 11.026 -1.362 -3.804 1.00 0.00 O ATOM 247 OE2 GLU A 15 10.234 -2.478 -5.523 1.00 0.00 O ATOM 0 H GLU A 15 6.922 0.439 -1.472 1.00 0.00 H new ATOM 0 HA GLU A 15 6.159 -1.876 -3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.967 -1.414 -2.013 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.383 -2.917 -2.701 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.969 -1.751 -4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.588 -0.265 -4.172 1.00 0.00 H new ATOM 254 N THR A 16 5.768 -3.142 -1.000 1.00 0.00 N ATOM 255 CA THR A 16 5.356 -3.809 0.228 1.00 0.00 C ATOM 256 C THR A 16 5.643 -5.307 0.157 1.00 0.00 C ATOM 257 O THR A 16 5.969 -5.831 -0.908 1.00 0.00 O ATOM 258 CB THR A 16 3.871 -3.552 0.494 1.00 0.00 C ATOM 259 OG1 THR A 16 3.352 -4.521 1.371 1.00 0.00 O ATOM 260 CG2 THR A 16 3.019 -3.560 -0.757 1.00 0.00 C ATOM 0 H THR A 16 5.445 -3.599 -1.853 1.00 0.00 H new ATOM 0 HA THR A 16 5.934 -3.398 1.056 1.00 0.00 H new ATOM 0 HB THR A 16 3.827 -2.554 0.930 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.625 -4.129 1.898 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.979 -3.371 -0.490 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.366 -2.783 -1.438 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.098 -4.532 -1.245 1.00 0.00 H new ATOM 268 N THR A 17 5.541 -5.993 1.297 1.00 0.00 N ATOM 269 CA THR A 17 5.817 -7.426 1.334 1.00 0.00 C ATOM 270 C THR A 17 4.896 -8.189 2.289 1.00 0.00 C ATOM 271 O THR A 17 4.906 -7.963 3.499 1.00 0.00 O ATOM 272 CB THR A 17 7.273 -7.667 1.730 1.00 0.00 C ATOM 273 OG1 THR A 17 7.559 -7.069 2.982 1.00 0.00 O ATOM 274 CG2 THR A 17 8.263 -7.125 0.723 1.00 0.00 C ATOM 0 H THR A 17 5.273 -5.585 2.193 1.00 0.00 H new ATOM 0 HA THR A 17 5.627 -7.807 0.330 1.00 0.00 H new ATOM 0 HB THR A 17 7.384 -8.750 1.777 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.851 -6.431 3.209 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.278 -7.329 1.064 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.101 -7.606 -0.242 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.125 -6.049 0.620 1.00 0.00 H new ATOM 282 N THR A 18 4.126 -9.118 1.725 1.00 0.00 N ATOM 283 CA THR A 18 3.215 -9.963 2.498 1.00 0.00 C ATOM 284 C THR A 18 3.776 -11.382 2.566 1.00 0.00 C ATOM 285 O THR A 18 4.364 -11.867 1.599 1.00 0.00 O ATOM 286 CB THR A 18 1.828 -9.988 1.846 1.00 0.00 C ATOM 287 OG1 THR A 18 0.919 -10.726 2.641 1.00 0.00 O ATOM 288 CG2 THR A 18 1.826 -10.598 0.460 1.00 0.00 C ATOM 0 H THR A 18 4.115 -9.306 0.723 1.00 0.00 H new ATOM 0 HA THR A 18 3.121 -9.556 3.505 1.00 0.00 H new ATOM 0 HB THR A 18 1.527 -8.944 1.763 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.180 -10.659 3.583 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.813 -10.584 0.058 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.483 -10.023 -0.192 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.180 -11.627 0.515 1.00 0.00 H new ATOM 296 N GLU A 19 3.593 -12.047 3.697 1.00 0.00 N ATOM 297 CA GLU A 19 4.085 -13.412 3.863 1.00 0.00 C ATOM 298 C GLU A 19 2.917 -14.391 3.826 1.00 0.00 C ATOM 299 O GLU A 19 2.074 -14.390 4.723 1.00 0.00 O ATOM 300 CB GLU A 19 4.849 -13.539 5.187 1.00 0.00 C ATOM 301 CG GLU A 19 5.564 -14.871 5.369 1.00 0.00 C ATOM 302 CD GLU A 19 4.610 -16.042 5.501 1.00 0.00 C ATOM 303 OE1 GLU A 19 3.789 -16.034 6.442 1.00 0.00 O ATOM 304 OE2 GLU A 19 4.686 -16.966 4.665 1.00 0.00 O ATOM 0 H GLU A 19 3.110 -11.668 4.512 1.00 0.00 H new ATOM 0 HA GLU A 19 4.767 -13.648 3.046 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.582 -12.734 5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.150 -13.399 6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.225 -15.042 4.519 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.194 -14.821 6.257 1.00 0.00 H new ATOM 311 N ALA A 20 2.858 -15.217 2.785 1.00 0.00 N ATOM 312 CA ALA A 20 1.773 -16.182 2.652 1.00 0.00 C ATOM 313 C ALA A 20 2.252 -17.502 2.055 1.00 0.00 C ATOM 314 O ALA A 20 3.244 -17.554 1.328 1.00 0.00 O ATOM 315 CB ALA A 20 0.656 -15.595 1.803 1.00 0.00 C ATOM 0 H ALA A 20 3.542 -15.237 2.029 1.00 0.00 H new ATOM 0 HA ALA A 20 1.396 -16.395 3.652 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.150 -16.323 1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.275 -14.691 2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.041 -15.351 0.813 1.00 0.00 H new ATOM 321 N VAL A 21 1.538 -18.571 2.396 1.00 0.00 N ATOM 322 CA VAL A 21 1.873 -19.915 1.933 1.00 0.00 C ATOM 323 C VAL A 21 2.065 -19.962 0.417 1.00 0.00 C ATOM 324 O VAL A 21 2.788 -20.815 -0.097 1.00 0.00 O ATOM 325 CB VAL A 21 0.776 -20.923 2.323 1.00 0.00 C ATOM 326 CG1 VAL A 21 1.217 -22.343 2.007 1.00 0.00 C ATOM 327 CG2 VAL A 21 0.415 -20.777 3.793 1.00 0.00 C ATOM 0 H VAL A 21 0.715 -18.531 2.998 1.00 0.00 H new ATOM 0 HA VAL A 21 2.811 -20.185 2.417 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.116 -20.709 1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.428 -23.040 2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.415 -22.433 0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.124 -22.575 2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.362 -21.497 4.050 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.298 -20.962 4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.049 -19.767 3.979 1.00 0.00 H new ATOM 337 N ASP A 22 1.423 -19.040 -0.294 1.00 0.00 N ATOM 338 CA ASP A 22 1.544 -18.988 -1.749 1.00 0.00 C ATOM 339 C ASP A 22 1.201 -17.607 -2.292 1.00 0.00 C ATOM 340 O ASP A 22 0.786 -16.718 -1.548 1.00 0.00 O ATOM 341 CB ASP A 22 0.653 -20.047 -2.402 1.00 0.00 C ATOM 342 CG ASP A 22 -0.785 -19.968 -1.935 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.026 -20.193 -0.733 1.00 0.00 O ATOM 344 OD2 ASP A 22 -1.667 -19.679 -2.770 1.00 0.00 O ATOM 0 H ASP A 22 0.818 -18.324 0.108 1.00 0.00 H new ATOM 0 HA ASP A 22 2.584 -19.197 -1.998 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.686 -19.927 -3.485 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.049 -21.038 -2.179 1.00 0.00 H new ATOM 349 N ALA A 23 1.383 -17.432 -3.599 1.00 0.00 N ATOM 350 CA ALA A 23 1.102 -16.157 -4.250 1.00 0.00 C ATOM 351 C ALA A 23 -0.347 -15.739 -4.046 1.00 0.00 C ATOM 352 O ALA A 23 -0.632 -14.573 -3.782 1.00 0.00 O ATOM 353 CB ALA A 23 1.429 -16.238 -5.733 1.00 0.00 C ATOM 0 H ALA A 23 1.724 -18.159 -4.228 1.00 0.00 H new ATOM 0 HA ALA A 23 1.735 -15.398 -3.791 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.214 -15.280 -6.206 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.485 -16.477 -5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.822 -17.016 -6.197 1.00 0.00 H new ATOM 359 N ALA A 24 -1.257 -16.696 -4.163 1.00 0.00 N ATOM 360 CA ALA A 24 -2.674 -16.414 -3.980 1.00 0.00 C ATOM 361 C ALA A 24 -2.934 -15.935 -2.562 1.00 0.00 C ATOM 362 O ALA A 24 -3.491 -14.858 -2.355 1.00 0.00 O ATOM 363 CB ALA A 24 -3.512 -17.644 -4.300 1.00 0.00 C ATOM 0 H ALA A 24 -1.042 -17.669 -4.382 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.964 -15.622 -4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.567 -17.412 -4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.342 -17.941 -5.335 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.227 -18.461 -3.637 1.00 0.00 H new ATOM 369 N THR A 25 -2.500 -16.724 -1.580 1.00 0.00 N ATOM 370 CA THR A 25 -2.664 -16.345 -0.189 1.00 0.00 C ATOM 371 C THR A 25 -2.104 -14.947 0.017 1.00 0.00 C ATOM 372 O THR A 25 -2.736 -14.095 0.641 1.00 0.00 O ATOM 373 CB THR A 25 -1.964 -17.351 0.726 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.618 -17.553 0.329 1.00 0.00 O ATOM 375 CG2 THR A 25 -2.644 -18.700 0.766 1.00 0.00 C ATOM 0 H THR A 25 -2.037 -17.621 -1.726 1.00 0.00 H new ATOM 0 HA THR A 25 -3.724 -16.346 0.065 1.00 0.00 H new ATOM 0 HB THR A 25 -2.013 -16.910 1.722 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.503 -17.259 -0.599 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.095 -19.364 1.434 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.665 -18.582 1.130 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.663 -19.128 -0.236 1.00 0.00 H new ATOM 383 N ALA A 26 -0.923 -14.708 -0.552 1.00 0.00 N ATOM 384 CA ALA A 26 -0.297 -13.401 -0.465 1.00 0.00 C ATOM 385 C ALA A 26 -1.212 -12.367 -1.105 1.00 0.00 C ATOM 386 O ALA A 26 -1.560 -11.361 -0.486 1.00 0.00 O ATOM 387 CB ALA A 26 1.064 -13.414 -1.144 1.00 0.00 C ATOM 0 H ALA A 26 -0.388 -15.402 -1.074 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.141 -13.142 0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.518 -12.426 -1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.707 -14.147 -0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.944 -13.679 -2.195 1.00 0.00 H new ATOM 393 N GLU A 27 -1.616 -12.633 -2.349 1.00 0.00 N ATOM 394 CA GLU A 27 -2.509 -11.741 -3.077 1.00 0.00 C ATOM 395 C GLU A 27 -3.739 -11.407 -2.241 1.00 0.00 C ATOM 396 O GLU A 27 -4.112 -10.241 -2.102 1.00 0.00 O ATOM 397 CB GLU A 27 -2.940 -12.385 -4.393 1.00 0.00 C ATOM 398 CG GLU A 27 -3.869 -11.514 -5.224 1.00 0.00 C ATOM 399 CD GLU A 27 -4.296 -12.178 -6.520 1.00 0.00 C ATOM 400 OE1 GLU A 27 -3.864 -13.324 -6.771 1.00 0.00 O ATOM 401 OE2 GLU A 27 -5.062 -11.553 -7.283 1.00 0.00 O ATOM 0 H GLU A 27 -1.335 -13.463 -2.871 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.969 -10.818 -3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.052 -12.618 -4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.438 -13.331 -4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.755 -11.272 -4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.370 -10.572 -5.451 1.00 0.00 H new ATOM 408 N LYS A 28 -4.363 -12.439 -1.675 1.00 0.00 N ATOM 409 CA LYS A 28 -5.543 -12.250 -0.844 1.00 0.00 C ATOM 410 C LYS A 28 -5.199 -11.399 0.365 1.00 0.00 C ATOM 411 O LYS A 28 -5.935 -10.479 0.723 1.00 0.00 O ATOM 412 CB LYS A 28 -6.100 -13.601 -0.395 1.00 0.00 C ATOM 413 CG LYS A 28 -6.565 -14.469 -1.549 1.00 0.00 C ATOM 414 CD LYS A 28 -7.646 -13.774 -2.357 1.00 0.00 C ATOM 415 CE LYS A 28 -8.903 -13.552 -1.529 1.00 0.00 C ATOM 416 NZ LYS A 28 -9.976 -12.887 -2.315 1.00 0.00 N ATOM 0 H LYS A 28 -4.070 -13.410 -1.778 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.305 -11.737 -1.432 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.333 -14.135 0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.935 -13.434 0.285 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.719 -14.704 -2.195 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.946 -15.416 -1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.273 -12.816 -2.718 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.888 -14.373 -3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.266 -14.510 -1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.661 -12.943 -0.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.815 -12.754 -1.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.639 -11.961 -2.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.226 -13.480 -3.132 1.00 0.00 H new ATOM 430 N VAL A 29 -4.066 -11.707 0.983 1.00 0.00 N ATOM 431 CA VAL A 29 -3.608 -10.966 2.146 1.00 0.00 C ATOM 432 C VAL A 29 -3.509 -9.485 1.832 1.00 0.00 C ATOM 433 O VAL A 29 -3.958 -8.644 2.611 1.00 0.00 O ATOM 434 CB VAL A 29 -2.238 -11.484 2.630 1.00 0.00 C ATOM 435 CG1 VAL A 29 -1.677 -10.596 3.728 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.351 -12.924 3.109 1.00 0.00 C ATOM 0 H VAL A 29 -3.448 -12.466 0.696 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.339 -11.115 2.941 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.547 -11.454 1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.711 -10.983 4.051 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.553 -9.582 3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.365 -10.585 4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.375 -13.273 3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.061 -12.978 3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.698 -13.554 2.290 1.00 0.00 H new ATOM 446 N VAL A 30 -2.946 -9.170 0.679 1.00 0.00 N ATOM 447 CA VAL A 30 -2.826 -7.788 0.262 1.00 0.00 C ATOM 448 C VAL A 30 -4.221 -7.215 0.044 1.00 0.00 C ATOM 449 O VAL A 30 -4.543 -6.132 0.526 1.00 0.00 O ATOM 450 CB VAL A 30 -1.981 -7.654 -1.019 1.00 0.00 C ATOM 451 CG1 VAL A 30 -1.906 -6.202 -1.474 1.00 0.00 C ATOM 452 CG2 VAL A 30 -0.587 -8.220 -0.795 1.00 0.00 C ATOM 0 H VAL A 30 -2.567 -9.850 0.019 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.313 -7.228 1.045 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.465 -8.228 -1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.304 -6.135 -2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.911 -5.832 -1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.450 -5.598 -0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.002 -8.118 -1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.098 -7.674 0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.661 -9.274 -0.527 1.00 0.00 H new ATOM 462 N LYS A 31 -5.059 -7.960 -0.678 1.00 0.00 N ATOM 463 CA LYS A 31 -6.429 -7.526 -0.939 1.00 0.00 C ATOM 464 C LYS A 31 -7.099 -7.070 0.346 1.00 0.00 C ATOM 465 O LYS A 31 -7.684 -5.988 0.405 1.00 0.00 O ATOM 466 CB LYS A 31 -7.242 -8.648 -1.577 1.00 0.00 C ATOM 467 CG LYS A 31 -6.985 -8.800 -3.063 1.00 0.00 C ATOM 468 CD LYS A 31 -7.824 -9.912 -3.661 1.00 0.00 C ATOM 469 CE LYS A 31 -7.643 -9.985 -5.169 1.00 0.00 C ATOM 470 NZ LYS A 31 -8.481 -11.053 -5.779 1.00 0.00 N ATOM 0 H LYS A 31 -4.814 -8.861 -1.089 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.388 -6.687 -1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.008 -9.588 -1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.303 -8.456 -1.416 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.209 -7.861 -3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.929 -9.009 -3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.544 -10.865 -3.212 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.875 -9.745 -3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.902 -9.023 -5.612 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.594 -10.171 -5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.328 -11.069 -6.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.217 -11.974 -5.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.484 -10.863 -5.581 1.00 0.00 H new ATOM 484 N GLN A 32 -6.993 -7.895 1.378 1.00 0.00 N ATOM 485 CA GLN A 32 -7.578 -7.556 2.663 1.00 0.00 C ATOM 486 C GLN A 32 -6.849 -6.359 3.253 1.00 0.00 C ATOM 487 O GLN A 32 -7.453 -5.491 3.883 1.00 0.00 O ATOM 488 CB GLN A 32 -7.527 -8.752 3.603 1.00 0.00 C ATOM 489 CG GLN A 32 -8.087 -8.465 4.987 1.00 0.00 C ATOM 490 CD GLN A 32 -8.233 -9.707 5.855 1.00 0.00 C ATOM 491 OE1 GLN A 32 -8.052 -10.889 5.268 1.00 0.00 O flip ATOM 492 NE2 GLN A 32 -8.525 -9.604 7.047 1.00 0.00 N flip ATOM 0 H GLN A 32 -6.512 -8.794 1.350 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.626 -7.290 2.525 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.085 -9.576 3.159 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.493 -9.083 3.700 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.435 -7.753 5.493 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -9.061 -7.988 4.884 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.656 -8.682 7.462 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.636 -10.441 7.619 1.00 0.00 H new ATOM 501 N PHE A 33 -5.542 -6.312 3.014 1.00 0.00 N ATOM 502 CA PHE A 33 -4.705 -5.216 3.486 1.00 0.00 C ATOM 503 C PHE A 33 -5.301 -3.877 3.049 1.00 0.00 C ATOM 504 O PHE A 33 -5.521 -2.983 3.861 1.00 0.00 O ATOM 505 CB PHE A 33 -3.290 -5.388 2.918 1.00 0.00 C ATOM 506 CG PHE A 33 -2.287 -4.413 3.453 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.720 -4.613 4.697 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.906 -3.299 2.712 1.00 0.00 C ATOM 509 CE1 PHE A 33 -0.797 -3.723 5.199 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.978 -2.408 3.216 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.428 -2.623 4.463 1.00 0.00 C ATOM 0 H PHE A 33 -5.037 -7.028 2.491 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.659 -5.229 4.575 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.946 -6.400 3.133 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.332 -5.289 1.833 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.004 -5.476 5.281 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.338 -3.130 1.737 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.362 -3.890 6.173 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.684 -1.546 2.636 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.294 -1.925 4.861 1.00 0.00 H new ATOM 521 N PHE A 34 -5.588 -3.776 1.757 1.00 0.00 N ATOM 522 CA PHE A 34 -6.188 -2.572 1.188 1.00 0.00 C ATOM 523 C PHE A 34 -7.672 -2.522 1.506 1.00 0.00 C ATOM 524 O PHE A 34 -8.225 -1.459 1.787 1.00 0.00 O ATOM 525 CB PHE A 34 -5.935 -2.521 -0.314 1.00 0.00 C ATOM 526 CG PHE A 34 -4.472 -2.472 -0.619 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.650 -1.587 0.058 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.912 -3.323 -1.552 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.297 -1.551 -0.192 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.558 -3.288 -1.812 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.749 -2.400 -1.128 1.00 0.00 C ATOM 0 H PHE A 34 -5.414 -4.518 1.078 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.724 -1.693 1.636 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.378 -3.396 -0.789 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.426 -1.645 -0.738 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.075 -0.917 0.791 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.541 -4.023 -2.083 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.666 -0.858 0.345 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.131 -3.953 -2.548 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.688 -2.372 -1.327 1.00 0.00 H new ATOM 541 N ASN A 35 -8.306 -3.685 1.486 1.00 0.00 N ATOM 542 CA ASN A 35 -9.722 -3.792 1.803 1.00 0.00 C ATOM 543 C ASN A 35 -10.014 -3.071 3.116 1.00 0.00 C ATOM 544 O ASN A 35 -11.038 -2.408 3.274 1.00 0.00 O ATOM 545 CB ASN A 35 -10.104 -5.265 1.936 1.00 0.00 C ATOM 546 CG ASN A 35 -11.593 -5.468 2.076 1.00 0.00 C ATOM 547 OD1 ASN A 35 -12.223 -4.959 3.004 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.162 -6.218 1.147 1.00 0.00 N ATOM 0 H ASN A 35 -7.859 -4.572 1.252 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.305 -3.334 1.004 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.747 -5.809 1.062 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.600 -5.690 2.804 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.166 -6.397 1.180 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.597 -6.618 0.398 1.00 0.00 H new ATOM 555 N ASP A 36 -9.089 -3.231 4.055 1.00 0.00 N ATOM 556 CA ASP A 36 -9.208 -2.624 5.380 1.00 0.00 C ATOM 557 C ASP A 36 -8.485 -1.278 5.485 1.00 0.00 C ATOM 558 O ASP A 36 -8.851 -0.447 6.317 1.00 0.00 O ATOM 559 CB ASP A 36 -8.683 -3.583 6.450 1.00 0.00 C ATOM 560 CG ASP A 36 -9.432 -4.901 6.460 1.00 0.00 C ATOM 561 OD1 ASP A 36 -9.420 -5.600 5.424 1.00 0.00 O ATOM 562 OD2 ASP A 36 -10.030 -5.236 7.505 1.00 0.00 O ATOM 0 H ASP A 36 -8.240 -3.781 3.923 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.268 -2.431 5.543 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.623 -3.771 6.277 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.768 -3.112 7.429 1.00 0.00 H new ATOM 567 N ASN A 37 -7.478 -1.042 4.646 1.00 0.00 N ATOM 568 CA ASN A 37 -6.760 0.234 4.682 1.00 0.00 C ATOM 569 C ASN A 37 -7.584 1.302 3.981 1.00 0.00 C ATOM 570 O ASN A 37 -7.753 2.412 4.488 1.00 0.00 O ATOM 571 CB ASN A 37 -5.383 0.128 4.011 1.00 0.00 C ATOM 572 CG ASN A 37 -4.408 -0.730 4.790 1.00 0.00 C ATOM 573 OD1 ASN A 37 -4.366 -0.681 6.020 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.586 -1.495 4.076 1.00 0.00 N ATOM 0 H ASN A 37 -7.144 -1.703 3.945 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.607 0.503 5.727 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.504 -0.287 3.010 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.965 1.128 3.893 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.887 -2.070 4.546 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.655 -1.506 3.058 1.00 0.00 H new ATOM 581 N GLY A 38 -8.093 0.924 2.809 1.00 0.00 N ATOM 582 CA GLY A 38 -8.920 1.785 1.977 1.00 0.00 C ATOM 583 C GLY A 38 -9.260 3.150 2.555 1.00 0.00 C ATOM 584 O GLY A 38 -8.384 3.992 2.755 1.00 0.00 O ATOM 0 H GLY A 38 -7.938 -0.001 2.409 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.411 1.933 1.025 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.852 1.262 1.762 1.00 0.00 H new ATOM 588 N VAL A 39 -10.557 3.393 2.725 1.00 0.00 N ATOM 589 CA VAL A 39 -11.049 4.695 3.172 1.00 0.00 C ATOM 590 C VAL A 39 -11.080 4.916 4.685 1.00 0.00 C ATOM 591 O VAL A 39 -10.549 5.915 5.168 1.00 0.00 O ATOM 592 CB VAL A 39 -12.457 4.963 2.600 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.975 6.326 3.042 1.00 0.00 C ATOM 594 CG2 VAL A 39 -12.442 4.862 1.084 1.00 0.00 C ATOM 0 H VAL A 39 -11.290 2.703 2.559 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.314 5.401 2.786 1.00 0.00 H new ATOM 0 HB VAL A 39 -13.133 4.203 2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.969 6.490 2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.028 6.360 4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.300 7.104 2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.443 5.054 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.748 5.598 0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.124 3.862 0.789 1.00 0.00 H new ATOM 604 N ASP A 40 -11.743 4.045 5.432 1.00 0.00 N ATOM 605 CA ASP A 40 -11.873 4.243 6.880 1.00 0.00 C ATOM 606 C ASP A 40 -10.780 3.561 7.699 1.00 0.00 C ATOM 607 O ASP A 40 -11.011 3.192 8.849 1.00 0.00 O ATOM 608 CB ASP A 40 -13.242 3.752 7.351 1.00 0.00 C ATOM 609 CG ASP A 40 -14.383 4.498 6.688 1.00 0.00 C ATOM 610 OD1 ASP A 40 -14.460 5.733 6.853 1.00 0.00 O ATOM 611 OD2 ASP A 40 -15.200 3.847 6.003 1.00 0.00 O ATOM 0 H ASP A 40 -12.195 3.204 5.073 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.765 5.314 7.049 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.336 2.687 7.139 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.315 3.869 8.432 1.00 0.00 H new ATOM 616 N GLY A 41 -9.593 3.407 7.129 1.00 0.00 N ATOM 617 CA GLY A 41 -8.510 2.781 7.869 1.00 0.00 C ATOM 618 C GLY A 41 -7.976 3.682 8.971 1.00 0.00 C ATOM 619 O GLY A 41 -8.193 4.894 8.945 1.00 0.00 O ATOM 0 H GLY A 41 -9.360 3.699 6.180 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.862 1.846 8.304 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.701 2.529 7.183 1.00 0.00 H new ATOM 623 N GLU A 42 -7.264 3.098 9.934 1.00 0.00 N ATOM 624 CA GLU A 42 -6.687 3.868 11.038 1.00 0.00 C ATOM 625 C GLU A 42 -5.310 4.394 10.647 1.00 0.00 C ATOM 626 O GLU A 42 -4.325 3.656 10.672 1.00 0.00 O ATOM 627 CB GLU A 42 -6.580 3.001 12.295 1.00 0.00 C ATOM 628 CG GLU A 42 -7.915 2.464 12.782 1.00 0.00 C ATOM 629 CD GLU A 42 -7.784 1.607 14.027 1.00 0.00 C ATOM 630 OE1 GLU A 42 -6.645 1.434 14.513 1.00 0.00 O ATOM 631 OE2 GLU A 42 -8.819 1.113 14.519 1.00 0.00 O ATOM 0 H GLU A 42 -7.073 2.097 9.973 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.342 4.713 11.252 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.914 2.163 12.092 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.122 3.587 13.092 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.584 3.299 12.990 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.377 1.876 11.989 1.00 0.00 H new ATOM 638 N TRP A 43 -5.252 5.659 10.241 1.00 0.00 N ATOM 639 CA TRP A 43 -3.999 6.262 9.794 1.00 0.00 C ATOM 640 C TRP A 43 -3.338 7.142 10.850 1.00 0.00 C ATOM 641 O TRP A 43 -3.895 8.159 11.265 1.00 0.00 O ATOM 642 CB TRP A 43 -4.252 7.111 8.550 1.00 0.00 C ATOM 643 CG TRP A 43 -4.806 6.344 7.394 1.00 0.00 C ATOM 644 CD1 TRP A 43 -5.668 5.289 7.436 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.530 6.581 6.016 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.950 4.859 6.164 1.00 0.00 N ATOM 647 CE2 TRP A 43 -5.258 5.634 5.274 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.735 7.505 5.339 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -5.213 5.587 3.889 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.692 7.457 3.964 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.427 6.502 3.250 1.00 0.00 C ATOM 0 H TRP A 43 -6.056 6.286 10.212 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.321 5.435 9.583 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.944 7.914 8.805 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.316 7.581 8.247 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.070 4.855 8.339 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.573 4.088 5.922 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.164 8.244 5.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.780 4.853 3.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -3.081 8.168 3.427 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.371 6.489 2.172 1.00 0.00 H new ATOM 662 N THR A 44 -2.127 6.765 11.246 1.00 0.00 N ATOM 663 CA THR A 44 -1.355 7.538 12.212 1.00 0.00 C ATOM 664 C THR A 44 -0.161 8.174 11.502 1.00 0.00 C ATOM 665 O THR A 44 0.481 7.534 10.668 1.00 0.00 O ATOM 666 CB THR A 44 -0.884 6.646 13.363 1.00 0.00 C ATOM 667 OG1 THR A 44 -0.098 5.572 12.878 1.00 0.00 O ATOM 668 CG2 THR A 44 -2.022 6.056 14.167 1.00 0.00 C ATOM 0 H THR A 44 -1.657 5.924 10.911 1.00 0.00 H new ATOM 0 HA THR A 44 -1.985 8.321 12.634 1.00 0.00 H new ATOM 0 HB THR A 44 -0.301 7.299 14.013 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.194 5.015 13.630 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.619 5.435 14.967 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.618 6.860 14.598 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.650 5.448 13.516 1.00 0.00 H new ATOM 676 N TYR A 45 0.128 9.433 11.812 1.00 0.00 N ATOM 677 CA TYR A 45 1.238 10.136 11.168 1.00 0.00 C ATOM 678 C TYR A 45 2.341 10.477 12.168 1.00 0.00 C ATOM 679 O TYR A 45 2.065 10.790 13.327 1.00 0.00 O ATOM 680 CB TYR A 45 0.723 11.412 10.494 1.00 0.00 C ATOM 681 CG TYR A 45 1.764 12.139 9.667 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.722 11.437 8.946 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.781 13.526 9.605 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.670 12.099 8.189 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.724 14.195 8.848 1.00 0.00 C ATOM 686 CZ TYR A 45 3.667 13.478 8.143 1.00 0.00 C ATOM 687 OH TYR A 45 4.610 14.140 7.390 1.00 0.00 O ATOM 0 H TYR A 45 -0.384 9.986 12.499 1.00 0.00 H new ATOM 0 HA TYR A 45 1.666 9.474 10.415 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.121 11.156 9.853 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.347 12.089 11.261 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.726 10.357 8.978 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.045 14.091 10.157 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.410 11.539 7.636 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.722 15.274 8.809 1.00 0.00 H new ATOM 0 HH TYR A 45 4.298 14.212 6.464 1.00 0.00 H new ATOM 697 N ASP A 46 3.589 10.423 11.706 1.00 0.00 N ATOM 698 CA ASP A 46 4.735 10.734 12.554 1.00 0.00 C ATOM 699 C ASP A 46 5.573 11.852 11.936 1.00 0.00 C ATOM 700 O ASP A 46 6.556 11.591 11.243 1.00 0.00 O ATOM 701 CB ASP A 46 5.596 9.486 12.764 1.00 0.00 C ATOM 702 CG ASP A 46 6.795 9.752 13.654 1.00 0.00 C ATOM 703 OD1 ASP A 46 7.628 10.607 13.288 1.00 0.00 O ATOM 704 OD2 ASP A 46 6.899 9.105 14.717 1.00 0.00 O ATOM 0 H ASP A 46 3.831 10.167 10.749 1.00 0.00 H new ATOM 0 HA ASP A 46 4.364 11.072 13.521 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.987 8.698 13.206 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.939 9.118 11.797 1.00 0.00 H new ATOM 709 N ASP A 47 5.175 13.096 12.186 1.00 0.00 N ATOM 710 CA ASP A 47 5.884 14.257 11.649 1.00 0.00 C ATOM 711 C ASP A 47 7.391 14.142 11.876 1.00 0.00 C ATOM 712 O ASP A 47 8.190 14.608 11.061 1.00 0.00 O ATOM 713 CB ASP A 47 5.364 15.541 12.297 1.00 0.00 C ATOM 714 CG ASP A 47 3.874 15.735 12.090 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.243 14.865 11.458 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.338 16.758 12.566 1.00 0.00 O ATOM 0 H ASP A 47 4.363 13.328 12.758 1.00 0.00 H new ATOM 0 HA ASP A 47 5.700 14.291 10.575 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.579 15.518 13.365 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.899 16.395 11.883 1.00 0.00 H new ATOM 721 N ALA A 48 7.771 13.538 12.997 1.00 0.00 N ATOM 722 CA ALA A 48 9.178 13.376 13.346 1.00 0.00 C ATOM 723 C ALA A 48 9.994 12.787 12.197 1.00 0.00 C ATOM 724 O ALA A 48 11.166 13.121 12.026 1.00 0.00 O ATOM 725 CB ALA A 48 9.312 12.507 14.589 1.00 0.00 C ATOM 0 H ALA A 48 7.122 13.151 13.682 1.00 0.00 H new ATOM 0 HA ALA A 48 9.580 14.368 13.552 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.366 12.392 14.841 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.789 12.979 15.421 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.876 11.527 14.396 1.00 0.00 H new ATOM 731 N THR A 49 9.375 11.907 11.418 1.00 0.00 N ATOM 732 CA THR A 49 10.064 11.273 10.297 1.00 0.00 C ATOM 733 C THR A 49 9.308 11.467 8.984 1.00 0.00 C ATOM 734 O THR A 49 9.571 10.769 8.004 1.00 0.00 O ATOM 735 CB THR A 49 10.253 9.780 10.571 1.00 0.00 C ATOM 736 OG1 THR A 49 9.001 9.141 10.749 1.00 0.00 O ATOM 737 CG2 THR A 49 11.090 9.498 11.800 1.00 0.00 C ATOM 0 H THR A 49 8.405 11.617 11.539 1.00 0.00 H new ATOM 0 HA THR A 49 11.038 11.752 10.196 1.00 0.00 H new ATOM 0 HB THR A 49 10.776 9.390 9.698 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.562 9.499 11.549 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.185 8.421 11.936 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.080 9.936 11.674 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.609 9.934 12.676 1.00 0.00 H new ATOM 745 N LYS A 50 8.369 12.412 8.961 1.00 0.00 N ATOM 746 CA LYS A 50 7.589 12.675 7.754 1.00 0.00 C ATOM 747 C LYS A 50 7.037 11.373 7.176 1.00 0.00 C ATOM 748 O LYS A 50 6.963 11.207 5.956 1.00 0.00 O ATOM 749 CB LYS A 50 8.459 13.367 6.703 1.00 0.00 C ATOM 750 CG LYS A 50 8.818 14.805 7.047 1.00 0.00 C ATOM 751 CD LYS A 50 8.114 15.791 6.126 1.00 0.00 C ATOM 752 CE LYS A 50 8.543 15.600 4.680 1.00 0.00 C ATOM 753 NZ LYS A 50 7.820 16.520 3.760 1.00 0.00 N ATOM 0 H LYS A 50 8.132 13.003 9.757 1.00 0.00 H new ATOM 0 HA LYS A 50 6.757 13.326 8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.378 12.795 6.573 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.936 13.353 5.747 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.544 15.012 8.081 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.897 14.940 6.970 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.035 15.661 6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.337 16.810 6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.616 15.770 4.594 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.359 14.568 4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.189 16.406 2.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.805 16.295 3.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.961 17.503 4.070 1.00 0.00 H new ATOM 767 N THR A 51 6.676 10.443 8.054 1.00 0.00 N ATOM 768 CA THR A 51 6.163 9.151 7.618 1.00 0.00 C ATOM 769 C THR A 51 4.802 8.843 8.235 1.00 0.00 C ATOM 770 O THR A 51 4.551 9.147 9.401 1.00 0.00 O ATOM 771 CB THR A 51 7.162 8.050 7.983 1.00 0.00 C ATOM 772 OG1 THR A 51 8.407 8.277 7.349 1.00 0.00 O ATOM 773 CG2 THR A 51 6.700 6.663 7.597 1.00 0.00 C ATOM 0 H THR A 51 6.729 10.559 9.066 1.00 0.00 H new ATOM 0 HA THR A 51 6.034 9.190 6.536 1.00 0.00 H new ATOM 0 HB THR A 51 7.253 8.093 9.068 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.792 9.117 7.676 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.457 5.934 7.886 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.764 6.436 8.108 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.545 6.618 6.519 1.00 0.00 H new ATOM 781 N PHE A 52 3.935 8.227 7.440 1.00 0.00 N ATOM 782 CA PHE A 52 2.598 7.860 7.894 1.00 0.00 C ATOM 783 C PHE A 52 2.499 6.349 8.087 1.00 0.00 C ATOM 784 O PHE A 52 2.998 5.584 7.271 1.00 0.00 O ATOM 785 CB PHE A 52 1.544 8.304 6.877 1.00 0.00 C ATOM 786 CG PHE A 52 1.621 9.757 6.503 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.685 10.238 5.757 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.623 10.639 6.886 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.754 11.571 5.403 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.686 11.974 6.533 1.00 0.00 C ATOM 791 CZ PHE A 52 1.753 12.440 5.791 1.00 0.00 C ATOM 0 H PHE A 52 4.135 7.970 6.473 1.00 0.00 H new ATOM 0 HA PHE A 52 2.416 8.362 8.844 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.650 7.702 5.974 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.554 8.097 7.283 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.469 9.563 5.449 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.213 10.279 7.467 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.590 11.934 4.823 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.098 12.651 6.837 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.805 13.483 5.514 1.00 0.00 H new ATOM 801 N THR A 53 1.837 5.924 9.156 1.00 0.00 N ATOM 802 CA THR A 53 1.663 4.501 9.420 1.00 0.00 C ATOM 803 C THR A 53 0.193 4.113 9.373 1.00 0.00 C ATOM 804 O THR A 53 -0.642 4.692 10.068 1.00 0.00 O ATOM 805 CB THR A 53 2.269 4.106 10.769 1.00 0.00 C ATOM 806 OG1 THR A 53 2.024 5.099 11.747 1.00 0.00 O ATOM 807 CG2 THR A 53 3.760 3.851 10.710 1.00 0.00 C ATOM 0 H THR A 53 1.414 6.540 9.850 1.00 0.00 H new ATOM 0 HA THR A 53 2.191 3.959 8.636 1.00 0.00 H new ATOM 0 HB THR A 53 1.778 3.171 11.040 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.171 4.915 12.193 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.122 3.576 11.701 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.963 3.039 10.011 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.271 4.754 10.375 1.00 0.00 H new ATOM 815 N VAL A 54 -0.108 3.119 8.550 1.00 0.00 N ATOM 816 CA VAL A 54 -1.470 2.629 8.404 1.00 0.00 C ATOM 817 C VAL A 54 -1.573 1.203 8.927 1.00 0.00 C ATOM 818 O VAL A 54 -0.906 0.299 8.425 1.00 0.00 O ATOM 819 CB VAL A 54 -1.933 2.672 6.933 1.00 0.00 C ATOM 820 CG1 VAL A 54 -3.373 2.200 6.809 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.775 4.075 6.367 1.00 0.00 C ATOM 0 H VAL A 54 0.577 2.634 7.970 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.120 3.283 8.986 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.304 1.996 6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.680 2.238 5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.453 1.176 7.173 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.020 2.847 7.401 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.106 4.088 5.329 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.378 4.772 6.949 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.727 4.372 6.417 1.00 0.00 H new ATOM 831 N THR A 55 -2.410 1.007 9.939 1.00 0.00 N ATOM 832 CA THR A 55 -2.587 -0.315 10.520 1.00 0.00 C ATOM 833 C THR A 55 -3.860 -0.961 9.992 1.00 0.00 C ATOM 834 O THR A 55 -4.964 -0.520 10.308 1.00 0.00 O ATOM 835 CB THR A 55 -2.623 -0.239 12.045 1.00 0.00 C ATOM 836 OG1 THR A 55 -1.574 0.580 12.530 1.00 0.00 O ATOM 837 CG2 THR A 55 -2.476 -1.594 12.701 1.00 0.00 C ATOM 0 H THR A 55 -2.972 1.741 10.370 1.00 0.00 H new ATOM 0 HA THR A 55 -1.736 -0.931 10.229 1.00 0.00 H new ATOM 0 HB THR A 55 -3.598 0.177 12.297 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.614 0.618 13.508 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.509 -1.479 13.784 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.290 -2.244 12.380 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.523 -2.037 12.412 1.00 0.00 H new ATOM 845 N GLU A 56 -3.687 -1.996 9.168 1.00 0.00 N ATOM 846 CA GLU A 56 -4.805 -2.717 8.551 1.00 0.00 C ATOM 847 C GLU A 56 -6.071 -2.669 9.409 1.00 0.00 C ATOM 848 O GLU A 56 -7.170 -2.540 8.832 1.00 0.00 O ATOM 849 CB GLU A 56 -4.396 -4.170 8.298 1.00 0.00 C ATOM 850 CG GLU A 56 -4.469 -5.057 9.532 1.00 0.00 C ATOM 851 CD GLU A 56 -3.747 -4.472 10.733 1.00 0.00 C ATOM 852 OE1 GLU A 56 -2.527 -4.224 10.635 1.00 0.00 O ATOM 853 OE2 GLU A 56 -4.401 -4.268 11.776 1.00 0.00 O ATOM 854 OXT GLU A 56 -5.951 -2.760 10.649 1.00 0.00 O ATOM 0 H GLU A 56 -2.770 -2.359 8.909 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.039 -2.224 7.607 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.039 -4.588 7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.378 -4.188 7.910 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.515 -5.223 9.791 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.040 -6.031 9.297 1.00 0.00 H new TER 861 GLU A 56 ATOM 862 N MET B 1 7.216 18.435 -1.992 1.00 0.00 N ATOM 863 CA MET B 1 7.805 17.564 -0.941 1.00 0.00 C ATOM 864 C MET B 1 7.343 16.119 -1.088 1.00 0.00 C ATOM 865 O MET B 1 6.209 15.852 -1.490 1.00 0.00 O ATOM 866 CB MET B 1 7.398 18.105 0.432 1.00 0.00 C ATOM 867 CG MET B 1 8.036 19.440 0.780 1.00 0.00 C ATOM 868 SD MET B 1 9.831 19.332 0.934 1.00 0.00 S ATOM 869 CE MET B 1 9.986 18.160 2.279 1.00 0.00 C ATOM 0 H1 MET B 1 7.700 19.355 -1.992 1.00 0.00 H new ATOM 0 H2 MET B 1 7.331 17.983 -2.922 1.00 0.00 H new ATOM 0 H3 MET B 1 6.204 18.576 -1.799 1.00 0.00 H new ATOM 0 HA MET B 1 8.890 17.574 -1.046 1.00 0.00 H new ATOM 0 HB2 MET B 1 6.314 18.212 0.463 1.00 0.00 H new ATOM 0 HB3 MET B 1 7.668 17.374 1.194 1.00 0.00 H new ATOM 0 HG2 MET B 1 7.784 20.170 0.011 1.00 0.00 H new ATOM 0 HG3 MET B 1 7.616 19.806 1.717 1.00 0.00 H new ATOM 0 HE1 MET B 1 11.016 18.148 2.635 1.00 0.00 H new ATOM 0 HE2 MET B 1 9.324 18.452 3.094 1.00 0.00 H new ATOM 0 HE3 MET B 1 9.712 17.165 1.928 1.00 0.00 H new ATOM 881 N GLN B 2 8.228 15.192 -0.745 1.00 0.00 N ATOM 882 CA GLN B 2 7.926 13.771 -0.819 1.00 0.00 C ATOM 883 C GLN B 2 7.707 13.207 0.580 1.00 0.00 C ATOM 884 O GLN B 2 8.358 13.627 1.537 1.00 0.00 O ATOM 885 CB GLN B 2 9.068 13.020 -1.511 1.00 0.00 C ATOM 886 CG GLN B 2 8.836 11.520 -1.613 1.00 0.00 C ATOM 887 CD GLN B 2 9.989 10.795 -2.279 1.00 0.00 C ATOM 888 OE1 GLN B 2 11.124 10.840 -1.802 1.00 0.00 O ATOM 889 NE2 GLN B 2 9.705 10.120 -3.386 1.00 0.00 N ATOM 0 H GLN B 2 9.168 15.403 -0.410 1.00 0.00 H new ATOM 0 HA GLN B 2 7.014 13.640 -1.402 1.00 0.00 H new ATOM 0 HB2 GLN B 2 9.205 13.427 -2.513 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.994 13.200 -0.965 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.683 11.111 -0.614 1.00 0.00 H new ATOM 0 HG3 GLN B 2 7.921 11.335 -2.177 1.00 0.00 H new ATOM 0 HE21 GLN B 2 8.751 10.110 -3.746 1.00 0.00 H new ATOM 0 HE22 GLN B 2 10.441 9.612 -3.876 1.00 0.00 H new ATOM 898 N TYR B 3 6.792 12.255 0.695 1.00 0.00 N ATOM 899 CA TYR B 3 6.499 11.637 1.982 1.00 0.00 C ATOM 900 C TYR B 3 6.627 10.124 1.895 1.00 0.00 C ATOM 901 O TYR B 3 6.279 9.522 0.880 1.00 0.00 O ATOM 902 CB TYR B 3 5.090 12.009 2.447 1.00 0.00 C ATOM 903 CG TYR B 3 4.872 13.497 2.608 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.783 14.328 1.498 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.749 14.068 3.868 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.580 15.688 1.641 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.543 15.425 4.019 1.00 0.00 C ATOM 908 CZ TYR B 3 4.460 16.230 2.903 1.00 0.00 C ATOM 909 OH TYR B 3 4.257 17.583 3.049 1.00 0.00 O ATOM 0 H TYR B 3 6.241 11.894 -0.084 1.00 0.00 H new ATOM 0 HA TYR B 3 7.223 12.010 2.706 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.367 11.621 1.730 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.890 11.517 3.399 1.00 0.00 H new ATOM 0 HD1 TYR B 3 4.874 13.905 0.508 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.816 13.440 4.744 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.516 16.322 0.769 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.447 15.853 5.006 1.00 0.00 H new ATOM 0 HH TYR B 3 4.899 17.942 3.697 1.00 0.00 H new ATOM 919 N LYS B 4 7.119 9.513 2.965 1.00 0.00 N ATOM 920 CA LYS B 4 7.279 8.065 3.005 1.00 0.00 C ATOM 921 C LYS B 4 6.209 7.445 3.890 1.00 0.00 C ATOM 922 O LYS B 4 6.238 7.589 5.110 1.00 0.00 O ATOM 923 CB LYS B 4 8.671 7.692 3.517 1.00 0.00 C ATOM 924 CG LYS B 4 8.918 6.193 3.555 1.00 0.00 C ATOM 925 CD LYS B 4 10.368 5.858 3.883 1.00 0.00 C ATOM 926 CE LYS B 4 10.775 6.347 5.267 1.00 0.00 C ATOM 927 NZ LYS B 4 10.915 7.829 5.325 1.00 0.00 N ATOM 0 H LYS B 4 7.413 9.995 3.814 1.00 0.00 H new ATOM 0 HA LYS B 4 7.169 7.676 1.993 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.422 8.160 2.881 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.803 8.100 4.519 1.00 0.00 H new ATOM 0 HG2 LYS B 4 8.264 5.737 4.299 1.00 0.00 H new ATOM 0 HG3 LYS B 4 8.655 5.758 2.590 1.00 0.00 H new ATOM 0 HD2 LYS B 4 10.512 4.779 3.824 1.00 0.00 H new ATOM 0 HD3 LYS B 4 11.021 6.307 3.135 1.00 0.00 H new ATOM 0 HE2 LYS B 4 10.031 6.026 5.996 1.00 0.00 H new ATOM 0 HE3 LYS B 4 11.720 5.884 5.550 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 11.829 8.075 5.756 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 10.870 8.220 4.362 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 10.144 8.228 5.897 1.00 0.00 H new ATOM 941 N VAL B 5 5.256 6.761 3.271 1.00 0.00 N ATOM 942 CA VAL B 5 4.174 6.135 4.013 1.00 0.00 C ATOM 943 C VAL B 5 4.481 4.672 4.318 1.00 0.00 C ATOM 944 O VAL B 5 4.883 3.907 3.443 1.00 0.00 O ATOM 945 CB VAL B 5 2.837 6.234 3.250 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.704 5.626 4.064 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.532 7.683 2.902 1.00 0.00 C ATOM 0 H VAL B 5 5.211 6.627 2.261 1.00 0.00 H new ATOM 0 HA VAL B 5 4.082 6.677 4.954 1.00 0.00 H new ATOM 0 HB VAL B 5 2.928 5.668 2.323 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.771 5.707 3.506 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.920 4.576 4.260 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.609 6.159 5.010 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.586 7.737 2.364 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.463 8.270 3.818 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.329 8.082 2.275 1.00 0.00 H new ATOM 957 N ILE B 6 4.278 4.299 5.572 1.00 0.00 N ATOM 958 CA ILE B 6 4.513 2.936 6.024 1.00 0.00 C ATOM 959 C ILE B 6 3.196 2.176 6.130 1.00 0.00 C ATOM 960 O ILE B 6 2.330 2.519 6.934 1.00 0.00 O ATOM 961 CB ILE B 6 5.237 2.917 7.389 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.674 3.411 7.228 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.215 1.522 8.002 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.434 3.495 8.534 1.00 0.00 C ATOM 0 H ILE B 6 3.947 4.929 6.303 1.00 0.00 H new ATOM 0 HA ILE B 6 5.152 2.448 5.288 1.00 0.00 H new ATOM 0 HB ILE B 6 4.708 3.587 8.067 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.205 2.743 6.550 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.661 4.396 6.760 1.00 0.00 H new ATOM 0 HG21 ILE B 6 5.731 1.538 8.962 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.182 1.206 8.151 1.00 0.00 H new ATOM 0 HG23 ILE B 6 5.715 0.822 7.332 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.446 3.853 8.344 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.926 4.185 9.207 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.479 2.507 8.993 1.00 0.00 H new ATOM 976 N LEU B 7 3.055 1.140 5.315 1.00 0.00 N ATOM 977 CA LEU B 7 1.847 0.329 5.319 1.00 0.00 C ATOM 978 C LEU B 7 2.051 -0.887 6.225 1.00 0.00 C ATOM 979 O LEU B 7 2.534 -1.931 5.785 1.00 0.00 O ATOM 980 CB LEU B 7 1.503 -0.099 3.887 1.00 0.00 C ATOM 981 CG LEU B 7 1.718 0.979 2.825 1.00 0.00 C ATOM 982 CD1 LEU B 7 1.224 0.498 1.470 1.00 0.00 C ATOM 983 CD2 LEU B 7 1.020 2.269 3.227 1.00 0.00 C ATOM 0 H LEU B 7 3.762 0.842 4.643 1.00 0.00 H new ATOM 0 HA LEU B 7 1.012 0.912 5.708 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.106 -0.969 3.628 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.460 -0.414 3.858 1.00 0.00 H new ATOM 0 HG LEU B 7 2.787 1.179 2.747 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.385 1.278 0.726 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.772 -0.398 1.180 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.160 0.269 1.531 1.00 0.00 H new ATOM 0 HD21 LEU B 7 1.184 3.026 2.460 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.049 2.086 3.334 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.425 2.621 4.176 1.00 0.00 H new ATOM 995 N ASN B 8 1.714 -0.722 7.506 1.00 0.00 N ATOM 996 CA ASN B 8 1.886 -1.779 8.502 1.00 0.00 C ATOM 997 C ASN B 8 0.588 -2.543 8.755 1.00 0.00 C ATOM 998 O ASN B 8 -0.317 -2.035 9.409 1.00 0.00 O ATOM 999 CB ASN B 8 2.374 -1.161 9.813 1.00 0.00 C ATOM 1000 CG ASN B 8 2.809 -2.196 10.827 1.00 0.00 C ATOM 1001 OD1 ASN B 8 2.060 -3.118 11.155 1.00 0.00 O ATOM 1002 ND2 ASN B 8 4.021 -2.038 11.343 1.00 0.00 N ATOM 0 H ASN B 8 1.318 0.141 7.879 1.00 0.00 H new ATOM 0 HA ASN B 8 2.619 -2.487 8.116 1.00 0.00 H new ATOM 0 HB2 ASN B 8 3.208 -0.491 9.604 1.00 0.00 H new ATOM 0 HB3 ASN B 8 1.577 -0.553 10.241 1.00 0.00 H new ATOM 0 HD21 ASN B 8 4.367 -2.695 12.042 1.00 0.00 H new ATOM 0 HD22 ASN B 8 4.606 -1.259 11.041 1.00 0.00 H new ATOM 1009 N GLY B 9 0.495 -3.766 8.237 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.708 -4.559 8.432 1.00 0.00 C ATOM 1011 C GLY B 9 -0.473 -5.793 9.280 1.00 0.00 C ATOM 1012 O GLY B 9 0.566 -5.926 9.925 1.00 0.00 O ATOM 0 H GLY B 9 1.226 -4.220 7.689 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -1.472 -3.941 8.904 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -1.099 -4.862 7.460 1.00 0.00 H new ATOM 1016 N LYS B 10 -1.447 -6.697 9.272 1.00 0.00 N ATOM 1017 CA LYS B 10 -1.356 -7.933 10.041 1.00 0.00 C ATOM 1018 C LYS B 10 -0.345 -8.897 9.424 1.00 0.00 C ATOM 1019 O LYS B 10 0.595 -9.333 10.087 1.00 0.00 O ATOM 1020 CB LYS B 10 -2.726 -8.613 10.123 1.00 0.00 C ATOM 1021 CG LYS B 10 -3.680 -7.963 11.114 1.00 0.00 C ATOM 1022 CD LYS B 10 -3.240 -8.196 12.549 1.00 0.00 C ATOM 1023 CE LYS B 10 -3.258 -9.675 12.901 1.00 0.00 C ATOM 1024 NZ LYS B 10 -2.895 -9.911 14.325 1.00 0.00 N ATOM 0 H LYS B 10 -2.311 -6.596 8.740 1.00 0.00 H new ATOM 0 HA LYS B 10 -1.019 -7.673 11.044 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -3.184 -8.605 9.134 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -2.586 -9.658 10.401 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -3.734 -6.892 10.919 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -4.683 -8.364 10.971 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -2.235 -7.798 12.692 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -3.898 -7.651 13.226 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -4.250 -10.082 12.707 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -2.562 -10.210 12.255 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -2.919 -10.931 14.525 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -1.938 -9.545 14.505 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -3.574 -9.421 14.942 1.00 0.00 H new ATOM 1038 N THR B 11 -0.559 -9.239 8.156 1.00 0.00 N ATOM 1039 CA THR B 11 0.309 -10.162 7.446 1.00 0.00 C ATOM 1040 C THR B 11 1.031 -9.467 6.303 1.00 0.00 C ATOM 1041 O THR B 11 1.578 -10.120 5.415 1.00 0.00 O ATOM 1042 CB THR B 11 -0.530 -11.312 6.893 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.756 -10.830 6.372 1.00 0.00 O ATOM 1044 CG2 THR B 11 -0.858 -12.372 7.919 1.00 0.00 C ATOM 0 H THR B 11 -1.336 -8.884 7.598 1.00 0.00 H new ATOM 0 HA THR B 11 1.057 -10.540 8.142 1.00 0.00 H new ATOM 0 HB THR B 11 0.086 -11.765 6.116 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.390 -11.572 6.288 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.456 -13.156 7.454 1.00 0.00 H new ATOM 0 HG22 THR B 11 0.066 -12.802 8.307 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.421 -11.924 8.738 1.00 0.00 H new ATOM 1052 N LEU B 12 1.018 -8.142 6.319 1.00 0.00 N ATOM 1053 CA LEU B 12 1.662 -7.375 5.269 1.00 0.00 C ATOM 1054 C LEU B 12 2.391 -6.165 5.837 1.00 0.00 C ATOM 1055 O LEU B 12 1.891 -5.483 6.732 1.00 0.00 O ATOM 1056 CB LEU B 12 0.624 -6.937 4.237 1.00 0.00 C ATOM 1057 CG LEU B 12 1.167 -6.080 3.101 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.345 -6.780 2.447 1.00 0.00 C ATOM 1059 CD2 LEU B 12 0.074 -5.790 2.080 1.00 0.00 C ATOM 0 H LEU B 12 0.571 -7.581 7.044 1.00 0.00 H new ATOM 0 HA LEU B 12 2.403 -8.011 4.785 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.160 -7.826 3.811 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.162 -6.381 4.748 1.00 0.00 H new ATOM 0 HG LEU B 12 1.508 -5.127 3.507 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.730 -6.163 1.635 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.130 -6.938 3.186 1.00 0.00 H new ATOM 0 HD13 LEU B 12 2.022 -7.742 2.050 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.481 -5.177 1.276 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.297 -6.728 1.668 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.744 -5.257 2.564 1.00 0.00 H new ATOM 1071 N LYS B 13 3.575 -5.905 5.300 1.00 0.00 N ATOM 1072 CA LYS B 13 4.387 -4.777 5.734 1.00 0.00 C ATOM 1073 C LYS B 13 5.151 -4.193 4.553 1.00 0.00 C ATOM 1074 O LYS B 13 5.575 -4.926 3.660 1.00 0.00 O ATOM 1075 CB LYS B 13 5.356 -5.214 6.834 1.00 0.00 C ATOM 1076 CG LYS B 13 4.662 -5.810 8.049 1.00 0.00 C ATOM 1077 CD LYS B 13 5.660 -6.219 9.121 1.00 0.00 C ATOM 1078 CE LYS B 13 4.960 -6.811 10.335 1.00 0.00 C ATOM 1079 NZ LYS B 13 4.010 -5.847 10.957 1.00 0.00 N ATOM 0 H LYS B 13 3.997 -6.464 4.558 1.00 0.00 H new ATOM 0 HA LYS B 13 3.730 -4.007 6.137 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.051 -5.948 6.425 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.948 -4.355 7.148 1.00 0.00 H new ATOM 0 HG2 LYS B 13 3.962 -5.083 8.461 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.078 -6.679 7.745 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.359 -6.948 8.711 1.00 0.00 H new ATOM 0 HD3 LYS B 13 6.246 -5.352 9.424 1.00 0.00 H new ATOM 0 HE2 LYS B 13 4.421 -7.711 10.040 1.00 0.00 H new ATOM 0 HE3 LYS B 13 5.705 -7.112 11.072 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 3.736 -6.189 11.900 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 4.467 -4.917 11.046 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 3.163 -5.760 10.360 1.00 0.00 H new ATOM 1093 N GLY B 14 5.324 -2.874 4.541 1.00 0.00 N ATOM 1094 CA GLY B 14 6.039 -2.247 3.446 1.00 0.00 C ATOM 1095 C GLY B 14 6.190 -0.749 3.606 1.00 0.00 C ATOM 1096 O GLY B 14 5.902 -0.193 4.666 1.00 0.00 O ATOM 0 H GLY B 14 4.986 -2.236 5.261 1.00 0.00 H new ATOM 0 HA2 GLY B 14 7.028 -2.698 3.362 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.514 -2.454 2.513 1.00 0.00 H new ATOM 1100 N GLU B 15 6.647 -0.099 2.539 1.00 0.00 N ATOM 1101 CA GLU B 15 6.844 1.343 2.542 1.00 0.00 C ATOM 1102 C GLU B 15 6.532 1.931 1.170 1.00 0.00 C ATOM 1103 O GLU B 15 6.918 1.378 0.139 1.00 0.00 O ATOM 1104 CB GLU B 15 8.278 1.684 2.950 1.00 0.00 C ATOM 1105 CG GLU B 15 8.641 1.194 4.343 1.00 0.00 C ATOM 1106 CD GLU B 15 10.054 1.567 4.745 1.00 0.00 C ATOM 1107 OE1 GLU B 15 11.002 1.146 4.048 1.00 0.00 O ATOM 1108 OE2 GLU B 15 10.214 2.282 5.757 1.00 0.00 O ATOM 0 H GLU B 15 6.888 -0.553 1.658 1.00 0.00 H new ATOM 0 HA GLU B 15 6.160 1.781 3.269 1.00 0.00 H new ATOM 0 HB2 GLU B 15 8.967 1.247 2.228 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.413 2.765 2.906 1.00 0.00 H new ATOM 0 HG2 GLU B 15 7.940 1.613 5.065 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.530 0.110 4.383 1.00 0.00 H new ATOM 1115 N THR B 16 5.827 3.054 1.172 1.00 0.00 N ATOM 1116 CA THR B 16 5.450 3.730 -0.061 1.00 0.00 C ATOM 1117 C THR B 16 5.771 5.221 0.012 1.00 0.00 C ATOM 1118 O THR B 16 6.095 5.738 1.081 1.00 0.00 O ATOM 1119 CB THR B 16 3.963 3.510 -0.348 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.479 4.490 -1.233 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.093 3.538 0.889 1.00 0.00 C ATOM 0 H THR B 16 5.503 3.518 2.020 1.00 0.00 H new ATOM 0 HA THR B 16 6.031 3.304 -0.879 1.00 0.00 H new ATOM 0 HB THR B 16 3.902 2.513 -0.784 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.750 4.115 -1.769 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.053 3.375 0.606 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.410 2.752 1.575 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.188 4.507 1.379 1.00 0.00 H new ATOM 1129 N THR B 17 5.702 5.908 -1.128 1.00 0.00 N ATOM 1130 CA THR B 17 6.014 7.335 -1.161 1.00 0.00 C ATOM 1131 C THR B 17 5.125 8.120 -2.129 1.00 0.00 C ATOM 1132 O THR B 17 5.147 7.892 -3.338 1.00 0.00 O ATOM 1133 CB THR B 17 7.481 7.540 -1.537 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.770 6.934 -2.785 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.443 6.974 -0.516 1.00 0.00 C ATOM 0 H THR B 17 5.437 5.507 -2.028 1.00 0.00 H new ATOM 0 HA THR B 17 5.820 7.721 -0.160 1.00 0.00 H new ATOM 0 HB THR B 17 7.620 8.620 -1.584 1.00 0.00 H new ATOM 0 HG1 THR B 17 7.050 6.313 -3.022 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.467 7.153 -0.843 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.279 7.459 0.446 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.276 5.902 -0.415 1.00 0.00 H new ATOM 1143 N THR B 18 4.370 9.068 -1.576 1.00 0.00 N ATOM 1144 CA THR B 18 3.491 9.935 -2.361 1.00 0.00 C ATOM 1145 C THR B 18 4.088 11.338 -2.420 1.00 0.00 C ATOM 1146 O THR B 18 4.673 11.810 -1.445 1.00 0.00 O ATOM 1147 CB THR B 18 2.097 9.992 -1.728 1.00 0.00 C ATOM 1148 OG1 THR B 18 1.216 10.752 -2.537 1.00 0.00 O ATOM 1149 CG2 THR B 18 2.090 10.602 -0.343 1.00 0.00 C ATOM 0 H THR B 18 4.350 9.257 -0.574 1.00 0.00 H new ATOM 0 HA THR B 18 3.400 9.532 -3.370 1.00 0.00 H new ATOM 0 HB THR B 18 1.771 8.955 -1.649 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.429 10.603 -3.482 1.00 0.00 H new ATOM 0 HG21 THR B 18 1.072 10.611 0.045 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.725 10.012 0.318 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.468 11.623 -0.393 1.00 0.00 H new ATOM 1157 N GLU B 19 3.938 12.007 -3.553 1.00 0.00 N ATOM 1158 CA GLU B 19 4.464 13.361 -3.712 1.00 0.00 C ATOM 1159 C GLU B 19 3.319 14.367 -3.692 1.00 0.00 C ATOM 1160 O GLU B 19 2.489 14.386 -4.601 1.00 0.00 O ATOM 1161 CB GLU B 19 5.249 13.468 -5.025 1.00 0.00 C ATOM 1162 CG GLU B 19 5.999 14.784 -5.197 1.00 0.00 C ATOM 1163 CD GLU B 19 5.077 15.977 -5.343 1.00 0.00 C ATOM 1164 OE1 GLU B 19 4.268 15.990 -6.295 1.00 0.00 O ATOM 1165 OE2 GLU B 19 5.163 16.900 -4.505 1.00 0.00 O ATOM 0 H GLU B 19 3.459 11.639 -4.375 1.00 0.00 H new ATOM 0 HA GLU B 19 5.139 13.583 -2.885 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.963 12.646 -5.077 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.559 13.344 -5.859 1.00 0.00 H new ATOM 0 HG2 GLU B 19 6.651 14.939 -4.337 1.00 0.00 H new ATOM 0 HG3 GLU B 19 6.640 14.718 -6.076 1.00 0.00 H new ATOM 1172 N ALA B 20 3.266 15.197 -2.653 1.00 0.00 N ATOM 1173 CA ALA B 20 2.203 16.186 -2.535 1.00 0.00 C ATOM 1174 C ALA B 20 2.704 17.496 -1.930 1.00 0.00 C ATOM 1175 O ALA B 20 3.687 17.522 -1.190 1.00 0.00 O ATOM 1176 CB ALA B 20 1.060 15.626 -1.701 1.00 0.00 C ATOM 0 H ALA B 20 3.941 15.204 -1.888 1.00 0.00 H new ATOM 0 HA ALA B 20 1.846 16.407 -3.541 1.00 0.00 H new ATOM 0 HB1 ALA B 20 0.270 16.373 -1.618 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.664 14.731 -2.181 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.426 15.373 -0.706 1.00 0.00 H new ATOM 1182 N VAL B 21 2.022 18.580 -2.281 1.00 0.00 N ATOM 1183 CA VAL B 21 2.383 19.916 -1.813 1.00 0.00 C ATOM 1184 C VAL B 21 2.554 19.959 -0.295 1.00 0.00 C ATOM 1185 O VAL B 21 3.292 20.795 0.229 1.00 0.00 O ATOM 1186 CB VAL B 21 1.317 20.950 -2.218 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.787 22.360 -1.896 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.974 20.812 -3.693 1.00 0.00 C ATOM 0 H VAL B 21 1.207 18.560 -2.895 1.00 0.00 H new ATOM 0 HA VAL B 21 3.334 20.163 -2.284 1.00 0.00 H new ATOM 0 HB VAL B 21 0.412 20.758 -1.641 1.00 0.00 H new ATOM 0 HG11 VAL B 21 1.019 23.076 -2.190 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.972 22.446 -0.825 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.707 22.570 -2.442 1.00 0.00 H new ATOM 0 HG21 VAL B 21 0.219 21.551 -3.962 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.870 20.975 -4.292 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.587 19.811 -3.884 1.00 0.00 H new ATOM 1198 N ASP B 22 1.881 19.054 0.406 1.00 0.00 N ATOM 1199 CA ASP B 22 1.979 18.999 1.865 1.00 0.00 C ATOM 1200 C ASP B 22 1.596 17.625 2.403 1.00 0.00 C ATOM 1201 O ASP B 22 1.171 16.747 1.651 1.00 0.00 O ATOM 1202 CB ASP B 22 1.107 20.079 2.506 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.326 20.034 2.017 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -0.546 20.265 0.811 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.228 19.768 2.840 1.00 0.00 O ATOM 0 H ASP B 22 1.266 18.352 -0.005 1.00 0.00 H new ATOM 0 HA ASP B 22 3.020 19.183 2.129 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.122 19.958 3.589 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.531 21.060 2.289 1.00 0.00 H new ATOM 1210 N ALA B 23 1.756 17.446 3.710 1.00 0.00 N ATOM 1211 CA ALA B 23 1.434 16.180 4.358 1.00 0.00 C ATOM 1212 C ALA B 23 -0.022 15.797 4.134 1.00 0.00 C ATOM 1213 O ALA B 23 -0.332 14.637 3.864 1.00 0.00 O ATOM 1214 CB ALA B 23 1.743 16.252 5.845 1.00 0.00 C ATOM 0 H ALA B 23 2.108 18.164 4.343 1.00 0.00 H new ATOM 0 HA ALA B 23 2.055 15.406 3.907 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.497 15.299 6.314 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.803 16.463 5.987 1.00 0.00 H new ATOM 0 HB3 ALA B 23 1.151 17.045 6.302 1.00 0.00 H new ATOM 1220 N ALA B 24 -0.910 16.775 4.239 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.331 16.527 4.035 1.00 0.00 C ATOM 1222 C ALA B 24 -2.582 16.055 2.613 1.00 0.00 C ATOM 1223 O ALA B 24 -3.162 14.991 2.399 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.143 17.776 4.343 1.00 0.00 C ATOM 0 H ALA B 24 -0.675 17.742 4.463 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.650 15.741 4.720 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.202 17.570 4.185 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -2.982 18.068 5.381 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -2.828 18.586 3.685 1.00 0.00 H new ATOM 1230 N THR B 25 -2.115 16.831 1.638 1.00 0.00 N ATOM 1231 CA THR B 25 -2.270 16.457 0.243 1.00 0.00 C ATOM 1232 C THR B 25 -1.740 15.046 0.046 1.00 0.00 C ATOM 1233 O THR B 25 -2.382 14.210 -0.589 1.00 0.00 O ATOM 1234 CB THR B 25 -1.532 17.446 -0.661 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.188 17.615 -0.244 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.179 18.811 -0.709 1.00 0.00 C ATOM 0 H THR B 25 -1.630 17.715 1.791 1.00 0.00 H new ATOM 0 HA THR B 25 -3.326 16.484 -0.027 1.00 0.00 H new ATOM 0 HB THR B 25 -1.576 17.007 -1.658 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.090 17.303 0.680 1.00 0.00 H new ATOM 0 HG21 THR B 25 -1.605 19.463 -1.368 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.197 18.718 -1.087 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.202 19.238 0.294 1.00 0.00 H new ATOM 1244 N ALA B 26 -0.573 14.779 0.631 1.00 0.00 N ATOM 1245 CA ALA B 26 0.021 13.457 0.554 1.00 0.00 C ATOM 1246 C ALA B 26 -0.928 12.446 1.179 1.00 0.00 C ATOM 1247 O ALA B 26 -1.290 11.447 0.555 1.00 0.00 O ATOM 1248 CB ALA B 26 1.375 13.437 1.251 1.00 0.00 C ATOM 0 H ALA B 26 -0.027 15.460 1.159 1.00 0.00 H new ATOM 0 HA ALA B 26 0.184 13.193 -0.491 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.805 12.438 1.183 1.00 0.00 H new ATOM 0 HB2 ALA B 26 2.042 14.152 0.770 1.00 0.00 H new ATOM 0 HB3 ALA B 26 1.248 13.707 2.300 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.342 12.721 2.418 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.266 11.851 3.132 1.00 0.00 C ATOM 1256 C GLU B 27 -3.492 11.546 2.278 1.00 0.00 C ATOM 1257 O GLU B 27 -3.890 10.391 2.135 1.00 0.00 O ATOM 1258 CB GLU B 27 -2.700 12.506 4.443 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.662 11.657 5.261 1.00 0.00 C ATOM 1260 CD GLU B 27 -4.090 12.332 6.549 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -3.633 13.466 6.808 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -4.881 11.727 7.302 1.00 0.00 O ATOM 0 H GLU B 27 -1.048 13.543 2.945 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.752 10.915 3.350 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -1.815 12.718 5.044 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.172 13.463 4.222 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.545 11.436 4.661 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -3.189 10.703 5.495 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.083 12.593 1.706 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.256 12.435 0.857 1.00 0.00 C ATOM 1271 C LYS B 28 -4.915 11.574 -0.346 1.00 0.00 C ATOM 1272 O LYS B 28 -5.668 10.673 -0.715 1.00 0.00 O ATOM 1273 CB LYS B 28 -5.773 13.798 0.402 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.233 14.677 1.550 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.343 14.010 2.342 1.00 0.00 C ATOM 1276 CE LYS B 28 -8.591 13.817 1.496 1.00 0.00 C ATOM 1277 NZ LYS B 28 -9.693 13.178 2.268 1.00 0.00 N ATOM 0 H LYS B 28 -3.768 13.557 1.816 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.040 11.943 1.433 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -4.985 14.313 -0.148 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.602 13.652 -0.290 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.391 14.890 2.208 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.584 15.633 1.161 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -6.999 13.044 2.710 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.584 14.617 3.215 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.926 14.783 1.117 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.350 13.201 0.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.526 13.064 1.655 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -9.383 12.245 2.608 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -9.941 13.778 3.081 1.00 0.00 H new ATOM 1291 N VAL B 29 -3.766 11.854 -0.949 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.309 11.102 -2.105 1.00 0.00 C ATOM 1293 C VAL B 29 -3.251 9.620 -1.790 1.00 0.00 C ATOM 1294 O VAL B 29 -3.709 8.788 -2.576 1.00 0.00 O ATOM 1295 CB VAL B 29 -1.920 11.588 -2.570 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -1.366 10.687 -3.660 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -1.992 13.030 -3.050 1.00 0.00 C ATOM 0 H VAL B 29 -3.134 12.599 -0.654 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.024 11.268 -2.910 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.242 11.542 -1.718 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.387 11.051 -3.970 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.271 9.670 -3.278 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.042 10.692 -4.515 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.003 13.355 -3.374 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -2.689 13.101 -3.885 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.335 13.668 -2.235 1.00 0.00 H new ATOM 1307 N VAL B 30 -2.713 9.291 -0.627 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.632 7.908 -0.211 1.00 0.00 C ATOM 1309 C VAL B 30 -4.043 7.369 -0.012 1.00 0.00 C ATOM 1310 O VAL B 30 -4.384 6.292 -0.500 1.00 0.00 O ATOM 1311 CB VAL B 30 -1.810 7.752 1.082 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.775 6.299 1.537 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.399 8.285 0.877 1.00 0.00 C ATOM 0 H VAL B 30 -2.329 9.961 0.039 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.122 7.338 -0.988 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.293 8.335 1.866 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.188 6.218 2.452 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.791 5.952 1.726 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.321 5.685 0.759 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.171 8.169 1.799 1.00 0.00 H new ATOM 0 HG22 VAL B 30 0.088 7.728 0.076 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.444 9.341 0.609 1.00 0.00 H new ATOM 1323 N LYS B 31 -4.874 8.133 0.698 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.257 7.732 0.939 1.00 0.00 C ATOM 1325 C LYS B 31 -6.919 7.292 -0.355 1.00 0.00 C ATOM 1326 O LYS B 31 -7.529 6.226 -0.423 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.051 8.874 1.567 1.00 0.00 C ATOM 1328 CG LYS B 31 -6.812 9.021 3.055 1.00 0.00 C ATOM 1329 CD LYS B 31 -7.632 10.152 3.642 1.00 0.00 C ATOM 1330 CE LYS B 31 -7.471 10.221 5.151 1.00 0.00 C ATOM 1331 NZ LYS B 31 -8.291 11.310 5.752 1.00 0.00 N ATOM 0 H LYS B 31 -4.614 9.028 1.113 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.247 6.892 1.633 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -6.787 9.807 1.070 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.114 8.708 1.391 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -7.065 8.088 3.559 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -5.753 9.205 3.238 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -7.323 11.098 3.197 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -8.683 10.010 3.392 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -7.759 9.266 5.590 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -6.421 10.381 5.396 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -8.151 11.321 6.783 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -7.999 12.225 5.353 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -9.296 11.145 5.541 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.779 8.114 -1.385 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.353 7.790 -2.678 1.00 0.00 C ATOM 1347 C GLN B 32 -6.646 6.575 -3.259 1.00 0.00 C ATOM 1348 O GLN B 32 -7.261 5.723 -3.898 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.261 8.986 -3.617 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.808 8.711 -5.010 1.00 0.00 C ATOM 1351 CD GLN B 32 -7.911 9.956 -5.880 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -7.711 11.135 -5.289 1.00 0.00 O flip ATOM 1353 NE2 GLN B 32 -8.189 9.861 -7.074 1.00 0.00 N flip ATOM 0 H GLN B 32 -6.277 9.001 -1.350 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.409 7.550 -2.555 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.806 9.823 -3.180 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.218 9.293 -3.699 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.166 7.983 -5.506 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -8.795 8.257 -4.921 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -8.335 8.942 -7.492 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -8.273 10.701 -7.646 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.344 6.496 -3.001 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.526 5.381 -3.461 1.00 0.00 C ATOM 1364 C PHE B 33 -5.162 4.057 -3.033 1.00 0.00 C ATOM 1365 O PHE B 33 -5.392 3.169 -3.849 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.115 5.519 -2.873 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.130 4.519 -3.393 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.541 4.705 -4.631 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.786 3.397 -2.648 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.633 3.792 -5.119 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.873 2.484 -3.139 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.300 2.686 -4.378 1.00 0.00 C ATOM 0 H PHE B 33 -4.830 7.199 -2.470 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.462 5.393 -4.549 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.743 6.522 -3.084 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.175 5.423 -1.789 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -1.796 5.574 -5.220 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -2.235 3.238 -1.679 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.182 3.947 -6.088 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.608 1.615 -2.555 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.412 1.972 -4.765 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.469 3.964 -1.746 1.00 0.00 N ATOM 1383 CA PHE B 34 -6.107 2.774 -1.186 1.00 0.00 C ATOM 1384 C PHE B 34 -7.586 2.760 -1.523 1.00 0.00 C ATOM 1385 O PHE B 34 -8.161 1.711 -1.813 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.875 2.717 0.319 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.418 2.632 0.646 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.608 1.727 -0.019 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.851 3.468 1.587 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -2.260 1.658 0.249 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.503 3.401 1.865 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.705 2.494 1.194 1.00 0.00 C ATOM 0 H PHE B 34 -5.286 4.701 -1.065 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.659 1.884 -1.629 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.303 3.603 0.788 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.394 1.854 0.736 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -4.039 1.067 -0.757 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.470 4.182 2.110 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.638 0.951 -0.280 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -2.071 4.057 2.606 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.648 2.440 1.410 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.192 3.939 -1.514 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.601 4.079 -1.851 1.00 0.00 C ATOM 1404 C ASN B 35 -9.891 3.365 -3.168 1.00 0.00 C ATOM 1405 O ASN B 35 -10.930 2.727 -3.340 1.00 0.00 O ATOM 1406 CB ASN B 35 -9.946 5.562 -1.988 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.428 5.799 -2.149 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -12.055 5.306 -3.085 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -11.990 6.564 -1.228 1.00 0.00 N ATOM 0 H ASN B 35 -7.727 4.815 -1.276 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.206 3.634 -1.061 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.589 6.097 -1.108 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.420 5.976 -2.848 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -12.988 6.769 -1.275 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.425 6.949 -0.471 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.950 3.503 -4.094 1.00 0.00 N ATOM 1417 CA ASP B 36 -9.064 2.899 -5.420 1.00 0.00 C ATOM 1418 C ASP B 36 -8.372 1.535 -5.517 1.00 0.00 C ATOM 1419 O ASP B 36 -8.748 0.715 -6.353 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.502 3.845 -6.481 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.218 5.181 -6.503 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -9.205 5.879 -5.466 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -9.793 5.530 -7.555 1.00 0.00 O ATOM 0 H ASP B 36 -8.090 4.033 -3.951 1.00 0.00 H new ATOM 0 HA ASP B 36 -10.126 2.731 -5.597 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.441 4.008 -6.293 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.584 3.376 -7.462 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.384 1.275 -4.662 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.696 -0.018 -4.688 1.00 0.00 C ATOM 1430 C ASN B 37 -7.558 -1.065 -3.998 1.00 0.00 C ATOM 1431 O ASN B 37 -7.744 -2.170 -4.508 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.329 0.055 -3.997 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.320 0.888 -4.763 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -4.262 0.839 -5.991 1.00 0.00 O ATOM 1435 ND2 ASN B 37 -3.491 1.633 -4.035 1.00 0.00 N ATOM 0 H ASN B 37 -7.046 1.927 -3.955 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.532 -0.292 -5.730 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.455 0.475 -2.999 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.938 -0.954 -3.871 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -2.772 2.193 -4.494 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.575 1.644 -3.018 1.00 0.00 H new ATOM 1442 N GLY B 38 -8.074 -0.675 -2.835 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.932 -1.516 -2.013 1.00 0.00 C ATOM 1444 C GLY B 38 -9.297 -2.872 -2.597 1.00 0.00 C ATOM 1445 O GLY B 38 -8.438 -3.735 -2.783 1.00 0.00 O ATOM 0 H GLY B 38 -7.904 0.247 -2.434 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.438 -1.677 -1.055 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.854 -0.971 -1.809 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.596 -3.082 -2.784 1.00 0.00 N ATOM 1450 CA VAL B 39 -11.113 -4.373 -3.239 1.00 0.00 C ATOM 1451 C VAL B 39 -11.129 -4.593 -4.753 1.00 0.00 C ATOM 1452 O VAL B 39 -10.615 -5.605 -5.227 1.00 0.00 O ATOM 1453 CB VAL B 39 -12.535 -4.606 -2.688 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -13.080 -5.957 -3.136 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -12.539 -4.506 -1.171 1.00 0.00 C ATOM 0 H VAL B 39 -11.314 -2.374 -2.628 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.400 -5.096 -2.843 1.00 0.00 H new ATOM 0 HB VAL B 39 -13.186 -3.830 -3.090 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -14.084 -6.096 -2.734 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -13.117 -5.991 -4.225 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -12.429 -6.751 -2.770 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -13.550 -4.673 -0.798 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -11.870 -5.259 -0.755 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -12.201 -3.514 -0.871 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.760 -3.706 -5.510 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.874 -3.902 -6.959 1.00 0.00 C ATOM 1467 C ASP B 40 -10.753 -3.247 -7.761 1.00 0.00 C ATOM 1468 O ASP B 40 -10.958 -2.872 -8.916 1.00 0.00 O ATOM 1469 CB ASP B 40 -13.225 -3.378 -7.447 1.00 0.00 C ATOM 1470 CG ASP B 40 -14.392 -4.095 -6.801 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -14.496 -5.329 -6.968 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -15.202 -3.426 -6.128 1.00 0.00 O ATOM 0 H ASP B 40 -12.197 -2.854 -5.157 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.790 -4.975 -7.129 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -13.296 -2.311 -7.235 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -13.286 -3.493 -8.529 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.571 -3.121 -7.176 1.00 0.00 N ATOM 1478 CA GLY B 41 -8.463 -2.522 -7.900 1.00 0.00 C ATOM 1479 C GLY B 41 -7.935 -3.436 -8.994 1.00 0.00 C ATOM 1480 O GLY B 41 -8.182 -4.642 -8.971 1.00 0.00 O ATOM 0 H GLY B 41 -9.358 -3.418 -6.224 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.786 -1.579 -8.341 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.658 -2.289 -7.203 1.00 0.00 H new ATOM 1484 N GLU B 42 -7.196 -2.869 -9.947 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.623 -3.653 -11.043 1.00 0.00 C ATOM 1486 C GLU B 42 -5.263 -4.212 -10.631 1.00 0.00 C ATOM 1487 O GLU B 42 -4.262 -3.498 -10.643 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.477 -2.789 -12.297 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.792 -2.219 -12.804 1.00 0.00 C ATOM 1490 CD GLU B 42 -7.622 -1.368 -14.047 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -6.473 -1.221 -14.516 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -8.638 -0.847 -14.553 1.00 0.00 O ATOM 0 H GLU B 42 -6.980 -1.873 -9.983 1.00 0.00 H new ATOM 0 HA GLU B 42 -7.294 -4.482 -11.267 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.793 -1.967 -12.083 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -6.021 -3.386 -13.087 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -8.478 -3.038 -13.021 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -8.250 -1.619 -12.018 1.00 0.00 H new ATOM 1499 N TRP B 43 -5.242 -5.479 -10.226 1.00 0.00 N ATOM 1500 CA TRP B 43 -4.010 -6.112 -9.761 1.00 0.00 C ATOM 1501 C TRP B 43 -3.358 -7.008 -10.809 1.00 0.00 C ATOM 1502 O TRP B 43 -3.934 -8.011 -11.231 1.00 0.00 O ATOM 1503 CB TRP B 43 -4.302 -6.954 -8.521 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.854 -6.173 -7.373 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -5.690 -5.099 -7.427 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.603 -6.417 -5.991 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -5.979 -4.661 -6.158 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -5.319 -5.453 -5.260 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.840 -7.360 -5.303 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -5.292 -5.407 -3.872 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.815 -7.312 -3.927 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.537 -6.341 -3.225 1.00 0.00 C ATOM 0 H TRP B 43 -6.061 -6.087 -10.210 1.00 0.00 H new ATOM 0 HA TRP B 43 -3.314 -5.303 -9.539 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -5.009 -7.740 -8.786 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -3.383 -7.446 -8.204 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -6.070 -4.656 -8.336 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -6.586 -3.875 -5.924 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -3.280 -8.113 -5.838 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.848 -4.660 -3.325 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -3.228 -8.036 -3.381 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.496 -6.331 -2.146 1.00 0.00 H new ATOM 1523 N THR B 44 -2.131 -6.661 -11.187 1.00 0.00 N ATOM 1524 CA THR B 44 -1.366 -7.452 -12.143 1.00 0.00 C ATOM 1525 C THR B 44 -0.196 -8.117 -11.417 1.00 0.00 C ATOM 1526 O THR B 44 0.447 -7.493 -10.573 1.00 0.00 O ATOM 1527 CB THR B 44 -0.856 -6.573 -13.286 1.00 0.00 C ATOM 1528 OG1 THR B 44 -0.052 -5.517 -12.790 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.969 -5.954 -14.106 1.00 0.00 C ATOM 0 H THR B 44 -1.644 -5.833 -10.843 1.00 0.00 H new ATOM 0 HA THR B 44 -2.010 -8.218 -12.573 1.00 0.00 H new ATOM 0 HB THR B 44 -0.279 -7.240 -13.926 1.00 0.00 H new ATOM 0 HG1 THR B 44 0.265 -4.968 -13.538 1.00 0.00 H new ATOM 0 HG21 THR B 44 -1.539 -5.343 -14.900 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.579 -6.743 -14.545 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.590 -5.330 -13.464 1.00 0.00 H new ATOM 1537 N TYR B 45 0.066 -9.383 -11.722 1.00 0.00 N ATOM 1538 CA TYR B 45 1.148 -10.112 -11.062 1.00 0.00 C ATOM 1539 C TYR B 45 2.257 -10.481 -12.047 1.00 0.00 C ATOM 1540 O TYR B 45 1.992 -10.787 -13.209 1.00 0.00 O ATOM 1541 CB TYR B 45 0.594 -11.375 -10.395 1.00 0.00 C ATOM 1542 CG TYR B 45 1.603 -12.126 -9.555 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.571 -11.448 -8.820 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.587 -13.514 -9.493 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.491 -12.134 -8.050 1.00 0.00 C ATOM 1546 CE2 TYR B 45 2.504 -14.206 -8.723 1.00 0.00 C ATOM 1547 CZ TYR B 45 3.454 -13.511 -8.006 1.00 0.00 C ATOM 1548 OH TYR B 45 4.368 -14.197 -7.239 1.00 0.00 O ATOM 0 H TYR B 45 -0.450 -9.924 -12.416 1.00 0.00 H new ATOM 0 HA TYR B 45 1.580 -9.460 -10.303 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.252 -11.099 -9.766 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.212 -12.043 -11.167 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.604 -10.369 -8.852 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.846 -14.062 -10.056 1.00 0.00 H new ATOM 0 HE1 TYR B 45 4.236 -11.593 -7.485 1.00 0.00 H new ATOM 0 HE2 TYR B 45 2.476 -15.285 -8.684 1.00 0.00 H new ATOM 0 HH TYR B 45 4.041 -14.259 -6.317 1.00 0.00 H new ATOM 1558 N ASP B 46 3.499 -10.456 -11.568 1.00 0.00 N ATOM 1559 CA ASP B 46 4.650 -10.797 -12.399 1.00 0.00 C ATOM 1560 C ASP B 46 5.452 -11.933 -11.768 1.00 0.00 C ATOM 1561 O ASP B 46 6.430 -11.696 -11.061 1.00 0.00 O ATOM 1562 CB ASP B 46 5.544 -9.571 -12.596 1.00 0.00 C ATOM 1563 CG ASP B 46 6.748 -9.865 -13.469 1.00 0.00 C ATOM 1564 OD1 ASP B 46 7.555 -10.739 -13.092 1.00 0.00 O ATOM 1565 OD2 ASP B 46 6.883 -9.220 -14.530 1.00 0.00 O ATOM 0 H ASP B 46 3.733 -10.203 -10.608 1.00 0.00 H new ATOM 0 HA ASP B 46 4.284 -11.128 -13.371 1.00 0.00 H new ATOM 0 HB2 ASP B 46 4.960 -8.768 -13.046 1.00 0.00 H new ATOM 0 HB3 ASP B 46 5.883 -9.212 -11.624 1.00 0.00 H new ATOM 1570 N ASP B 47 5.026 -13.167 -12.024 1.00 0.00 N ATOM 1571 CA ASP B 47 5.700 -14.345 -11.478 1.00 0.00 C ATOM 1572 C ASP B 47 7.212 -14.267 -11.684 1.00 0.00 C ATOM 1573 O ASP B 47 7.987 -14.751 -10.858 1.00 0.00 O ATOM 1574 CB ASP B 47 5.158 -15.616 -12.133 1.00 0.00 C ATOM 1575 CG ASP B 47 3.660 -15.773 -11.950 1.00 0.00 C ATOM 1576 OD1 ASP B 47 3.042 -14.889 -11.323 1.00 0.00 O ATOM 1577 OD2 ASP B 47 3.107 -16.784 -12.433 1.00 0.00 O ATOM 0 H ASP B 47 4.216 -13.379 -12.607 1.00 0.00 H new ATOM 0 HA ASP B 47 5.501 -14.374 -10.407 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.390 -15.599 -13.198 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.665 -16.483 -11.710 1.00 0.00 H new ATOM 1582 N ALA B 48 7.622 -13.671 -12.798 1.00 0.00 N ATOM 1583 CA ALA B 48 9.039 -13.545 -13.129 1.00 0.00 C ATOM 1584 C ALA B 48 9.851 -12.975 -11.967 1.00 0.00 C ATOM 1585 O ALA B 48 11.013 -13.337 -11.779 1.00 0.00 O ATOM 1586 CB ALA B 48 9.209 -12.678 -14.369 1.00 0.00 C ATOM 0 H ALA B 48 6.992 -13.266 -13.490 1.00 0.00 H new ATOM 0 HA ALA B 48 9.421 -14.546 -13.331 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.269 -12.589 -14.609 1.00 0.00 H new ATOM 0 HB2 ALA B 48 8.684 -13.136 -15.208 1.00 0.00 H new ATOM 0 HB3 ALA B 48 8.796 -11.687 -14.180 1.00 0.00 H new ATOM 1592 N THR B 49 9.243 -12.080 -11.198 1.00 0.00 N ATOM 1593 CA THR B 49 9.932 -11.464 -10.066 1.00 0.00 C ATOM 1594 C THR B 49 9.152 -11.638 -8.765 1.00 0.00 C ATOM 1595 O THR B 49 9.415 -10.946 -7.781 1.00 0.00 O ATOM 1596 CB THR B 49 10.160 -9.977 -10.338 1.00 0.00 C ATOM 1597 OG1 THR B 49 8.927 -9.307 -10.532 1.00 0.00 O ATOM 1598 CG2 THR B 49 11.022 -9.715 -11.555 1.00 0.00 C ATOM 0 H THR B 49 8.282 -11.765 -11.334 1.00 0.00 H new ATOM 0 HA THR B 49 10.892 -11.968 -9.950 1.00 0.00 H new ATOM 0 HB THR B 49 10.680 -9.600 -9.457 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.490 -9.653 -11.338 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.144 -8.640 -11.690 1.00 0.00 H new ATOM 0 HG22 THR B 49 12.000 -10.176 -11.414 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.544 -10.140 -12.438 1.00 0.00 H new ATOM 1606 N LYS B 50 8.191 -12.561 -8.756 1.00 0.00 N ATOM 1607 CA LYS B 50 7.386 -12.805 -7.560 1.00 0.00 C ATOM 1608 C LYS B 50 6.859 -11.491 -6.989 1.00 0.00 C ATOM 1609 O LYS B 50 6.773 -11.323 -5.771 1.00 0.00 O ATOM 1610 CB LYS B 50 8.225 -13.519 -6.498 1.00 0.00 C ATOM 1611 CG LYS B 50 8.553 -14.963 -6.840 1.00 0.00 C ATOM 1612 CD LYS B 50 7.813 -15.932 -5.928 1.00 0.00 C ATOM 1613 CE LYS B 50 8.225 -15.750 -4.476 1.00 0.00 C ATOM 1614 NZ LYS B 50 7.470 -16.651 -3.564 1.00 0.00 N ATOM 0 H LYS B 50 7.952 -13.147 -9.556 1.00 0.00 H new ATOM 0 HA LYS B 50 6.541 -13.434 -7.840 1.00 0.00 H new ATOM 0 HB2 LYS B 50 9.155 -12.970 -6.354 1.00 0.00 H new ATOM 0 HB3 LYS B 50 7.690 -13.493 -5.549 1.00 0.00 H new ATOM 0 HG2 LYS B 50 8.286 -15.162 -7.878 1.00 0.00 H new ATOM 0 HG3 LYS B 50 9.627 -15.125 -6.750 1.00 0.00 H new ATOM 0 HD2 LYS B 50 6.738 -15.777 -6.025 1.00 0.00 H new ATOM 0 HD3 LYS B 50 8.017 -16.956 -6.240 1.00 0.00 H new ATOM 0 HE2 LYS B 50 9.293 -15.945 -4.375 1.00 0.00 H new ATOM 0 HE3 LYS B 50 8.060 -14.714 -4.180 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 7.707 -16.424 -2.577 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 6.449 -16.520 -3.714 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 7.725 -17.639 -3.763 1.00 0.00 H new ATOM 1628 N THR B 51 6.532 -10.552 -7.872 1.00 0.00 N ATOM 1629 CA THR B 51 6.046 -9.247 -7.442 1.00 0.00 C ATOM 1630 C THR B 51 4.702 -8.908 -8.078 1.00 0.00 C ATOM 1631 O THR B 51 4.459 -9.206 -9.248 1.00 0.00 O ATOM 1632 CB THR B 51 7.076 -8.172 -7.795 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.307 -8.429 -7.145 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.642 -6.774 -7.414 1.00 0.00 C ATOM 0 H THR B 51 6.594 -10.670 -8.883 1.00 0.00 H new ATOM 0 HA THR B 51 5.902 -9.281 -6.362 1.00 0.00 H new ATOM 0 HB THR B 51 7.180 -8.218 -8.879 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.675 -9.278 -7.466 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.420 -6.063 -7.693 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.718 -6.525 -7.936 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.475 -6.725 -6.338 1.00 0.00 H new ATOM 1642 N PHE B 52 3.837 -8.270 -7.294 1.00 0.00 N ATOM 1643 CA PHE B 52 2.518 -7.869 -7.769 1.00 0.00 C ATOM 1644 C PHE B 52 2.460 -6.358 -7.963 1.00 0.00 C ATOM 1645 O PHE B 52 2.964 -5.604 -7.139 1.00 0.00 O ATOM 1646 CB PHE B 52 1.437 -8.287 -6.767 1.00 0.00 C ATOM 1647 CG PHE B 52 1.473 -9.741 -6.392 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.515 -10.248 -5.631 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.461 -10.599 -6.790 1.00 0.00 C ATOM 1650 CE1 PHE B 52 2.547 -11.582 -5.277 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.488 -11.936 -6.436 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.532 -12.427 -5.678 1.00 0.00 C ATOM 0 H PHE B 52 4.028 -8.019 -6.324 1.00 0.00 H new ATOM 0 HA PHE B 52 2.338 -8.365 -8.723 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.544 -7.688 -5.863 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.458 -8.056 -7.188 1.00 0.00 H new ATOM 0 HD1 PHE B 52 3.311 -9.592 -5.311 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.358 -10.220 -7.383 1.00 0.00 H new ATOM 0 HE1 PHE B 52 3.366 -11.964 -4.686 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.307 -12.595 -6.752 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.555 -13.470 -5.399 1.00 0.00 H new ATOM 1662 N THR B 53 1.823 -5.917 -9.041 1.00 0.00 N ATOM 1663 CA THR B 53 1.687 -4.489 -9.308 1.00 0.00 C ATOM 1664 C THR B 53 0.227 -4.066 -9.281 1.00 0.00 C ATOM 1665 O THR B 53 -0.612 -4.624 -9.989 1.00 0.00 O ATOM 1666 CB THR B 53 2.323 -4.109 -10.648 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.067 -5.097 -11.630 1.00 0.00 O ATOM 1668 CG2 THR B 53 3.818 -3.891 -10.568 1.00 0.00 C ATOM 0 H THR B 53 1.395 -6.523 -9.741 1.00 0.00 H new ATOM 0 HA THR B 53 2.217 -3.958 -8.517 1.00 0.00 H new ATOM 0 HB THR B 53 1.860 -3.162 -10.925 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.099 -5.201 -11.745 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.200 -3.625 -11.554 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.031 -3.085 -9.866 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.301 -4.806 -10.226 1.00 0.00 H new ATOM 1676 N VAL B 54 -0.063 -3.064 -8.461 1.00 0.00 N ATOM 1677 CA VAL B 54 -1.413 -2.543 -8.335 1.00 0.00 C ATOM 1678 C VAL B 54 -1.475 -1.114 -8.859 1.00 0.00 C ATOM 1679 O VAL B 54 -0.795 -0.226 -8.347 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.900 -2.573 -6.870 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -3.329 -2.065 -6.767 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.784 -3.980 -6.302 1.00 0.00 C ATOM 0 H VAL B 54 0.625 -2.595 -7.871 1.00 0.00 H new ATOM 0 HA VAL B 54 -2.068 -3.183 -8.927 1.00 0.00 H new ATOM 0 HB VAL B 54 -1.264 -1.911 -6.282 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.652 -2.095 -5.726 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -3.378 -1.039 -7.133 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.984 -2.696 -7.368 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -2.131 -3.985 -5.269 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.395 -4.663 -6.893 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.743 -4.302 -6.337 1.00 0.00 H new ATOM 1692 N THR B 55 -2.292 -0.897 -9.882 1.00 0.00 N ATOM 1693 CA THR B 55 -2.430 0.428 -10.465 1.00 0.00 C ATOM 1694 C THR B 55 -3.694 1.106 -9.956 1.00 0.00 C ATOM 1695 O THR B 55 -4.804 0.690 -10.284 1.00 0.00 O ATOM 1696 CB THR B 55 -2.445 0.354 -11.990 1.00 0.00 C ATOM 1697 OG1 THR B 55 -1.409 -0.491 -12.460 1.00 0.00 O ATOM 1698 CG2 THR B 55 -2.256 1.703 -12.644 1.00 0.00 C ATOM 0 H THR B 55 -2.865 -1.617 -10.322 1.00 0.00 H new ATOM 0 HA THR B 55 -1.568 1.022 -10.161 1.00 0.00 H new ATOM 0 HB THR B 55 -3.427 -0.037 -12.256 1.00 0.00 H new ATOM 0 HG1 THR B 55 -1.435 -0.527 -13.439 1.00 0.00 H new ATOM 0 HG21 THR B 55 -2.275 1.588 -13.728 1.00 0.00 H new ATOM 0 HG22 THR B 55 -3.059 2.373 -12.336 1.00 0.00 H new ATOM 0 HG23 THR B 55 -1.297 2.123 -12.341 1.00 0.00 H new ATOM 1706 N GLU B 56 -3.508 2.137 -9.130 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.615 2.885 -8.528 1.00 0.00 C ATOM 1708 C GLU B 56 -5.872 2.866 -9.403 1.00 0.00 C ATOM 1709 O GLU B 56 -6.980 2.764 -8.839 1.00 0.00 O ATOM 1710 CB GLU B 56 -4.176 4.328 -8.269 1.00 0.00 C ATOM 1711 CG GLU B 56 -4.211 5.217 -9.505 1.00 0.00 C ATOM 1712 CD GLU B 56 -3.485 4.614 -10.695 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -2.274 4.338 -10.581 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -4.131 4.424 -11.748 1.00 0.00 O ATOM 1715 OXT GLU B 56 -5.734 2.954 -10.641 1.00 0.00 O ATOM 0 H GLU B 56 -2.586 2.478 -8.859 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.872 2.399 -7.587 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -4.820 4.761 -7.504 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.163 4.322 -7.867 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -5.249 5.407 -9.779 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -3.763 6.181 -9.264 1.00 0.00 H new TER 1722 GLU B 56