USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=43 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: B 44 THR OG1 : rot 58:sc= 1.78 USER MOD Set 1.2: B 53 THR OG1 : rot 103:sc= 1.64! USER MOD Set 2.1: B 2 GLN : amide:sc= -0.895 K(o=-0.57,f=-3.8!) USER MOD Set 2.2: B 17 THR OG1 : rot 27:sc= 0.324 USER MOD Set 3.1: A 50 LYS NZ :NH3+ -165:sc= -0.211 (180deg=-0.376) USER MOD Set 3.2: B 1 MET CE :methyl 143:sc= -2.01! (180deg=-1.76!) USER MOD Set 3.3: B 3 TYR OH : rot -32:sc= 0.154 USER MOD Set 4.1: A 44 THR OG1 : rot 57:sc= 1.7 USER MOD Set 4.2: A 53 THR OG1 : rot 108:sc= 1.77! USER MOD Set 5.1: A 2 GLN : amide:sc= -0.955 K(o=-0.61,f=-3.8!) USER MOD Set 5.2: A 17 THR OG1 : rot 44:sc= 0.345 USER MOD Set 6.1: A 1 MET CE :methyl 142:sc= -1.95! (180deg=-1.69!) USER MOD Set 6.2: A 3 TYR OH : rot -31:sc= 0.14 USER MOD Set 6.3: B 50 LYS NZ :NH3+ -169:sc= -0.236 (180deg=-0.392) USER MOD Single : A 1 MET N :NH3+ -123:sc= 1.24 (180deg=0.533) USER MOD Single : A 4 LYS NZ :NH3+ -110:sc= -1.96 (180deg=-5.09!) USER MOD Single : A 8 ASN :FLIP amide:sc= -0.949 F(o=-4.6,f=-0.95) USER MOD Single : A 10 LYS NZ :NH3+ -167:sc= -0.0209 (180deg=-0.233) USER MOD Single : A 11 THR OG1 : rot -140:sc= -3.09! USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= -0.0293 (180deg=-0.233) USER MOD Single : A 16 THR OG1 : rot -161:sc= -5.02! USER MOD Single : A 18 THR OG1 : rot 29:sc= 0.0827 USER MOD Single : A 25 THR OG1 : rot -42:sc= -1.27! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -172:sc= -0.0134 (180deg=-0.139) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.824 F(o=-2.6,f=-0.82) USER MOD Single : A 35 ASN : amide:sc= -2.62! C(o=-2.6!,f=-4.5!) USER MOD Single : A 37 ASN : amide:sc= -6.37! C(o=-6.4!,f=-6.1!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -53:sc= 0.189 USER MOD Single : A 51 THR OG1 : rot 63:sc= 0.694 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ -164:sc= 1.24 (180deg=0.513) USER MOD Single : B 4 LYS NZ :NH3+ -104:sc= -1.94 (180deg=-5.12!) USER MOD Single : B 8 ASN :FLIP amide:sc= -0.944 F(o=-4.4!,f=-0.94) USER MOD Single : B 10 LYS NZ :NH3+ -167:sc= -0.0214 (180deg=-0.232) USER MOD Single : B 11 THR OG1 : rot -140:sc= -3.09! USER MOD Single : B 13 LYS NZ :NH3+ -168:sc= -0.0204 (180deg=-0.218) USER MOD Single : B 16 THR OG1 : rot 166:sc= -5.09! USER MOD Single : B 18 THR OG1 : rot 29:sc= 0.0823 USER MOD Single : B 25 THR OG1 : rot -42:sc= -1.26! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ -172:sc= -0.012 (180deg=-0.135) USER MOD Single : B 32 GLN :FLIP amide:sc= -0.835 F(o=-2.6,f=-0.84) USER MOD Single : B 35 ASN : amide:sc= -2.63! C(o=-2.6!,f=-4.5!) USER MOD Single : B 37 ASN :FLIP amide:sc= -6.02! C(o=-6.6!,f=-6!) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot -54:sc= 0.246 USER MOD Single : B 51 THR OG1 : rot 61:sc= 0.699 USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.354 -18.721 2.946 1.00 0.00 N ATOM 2 CA MET A 1 6.735 -18.110 1.647 1.00 0.00 C ATOM 3 C MET A 1 6.381 -16.627 1.632 1.00 0.00 C ATOM 4 O MET A 1 5.281 -16.240 2.022 1.00 0.00 O ATOM 5 CB MET A 1 5.996 -18.855 0.532 1.00 0.00 C ATOM 6 CG MET A 1 6.610 -18.675 -0.847 1.00 0.00 C ATOM 7 SD MET A 1 5.915 -19.818 -2.057 1.00 0.00 S ATOM 8 CE MET A 1 6.876 -19.407 -3.508 1.00 0.00 C ATOM 0 H1 MET A 1 7.191 -19.156 3.384 1.00 0.00 H new ATOM 0 H2 MET A 1 5.975 -17.986 3.577 1.00 0.00 H new ATOM 0 H3 MET A 1 5.629 -19.449 2.788 1.00 0.00 H new ATOM 0 HA MET A 1 7.811 -18.193 1.496 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.974 -19.918 0.772 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.961 -18.513 0.505 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.449 -17.651 -1.183 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.688 -18.825 -0.785 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.099 -20.316 -4.066 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.308 -18.724 -4.139 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.808 -18.930 -3.204 1.00 0.00 H new ATOM 20 N GLN A 2 7.321 -15.799 1.186 1.00 0.00 N ATOM 21 CA GLN A 2 7.101 -14.358 1.134 1.00 0.00 C ATOM 22 C GLN A 2 7.032 -13.862 -0.305 1.00 0.00 C ATOM 23 O GLN A 2 7.677 -14.413 -1.196 1.00 0.00 O ATOM 24 CB GLN A 2 8.214 -13.625 1.885 1.00 0.00 C ATOM 25 CG GLN A 2 8.051 -12.110 1.888 1.00 0.00 C ATOM 26 CD GLN A 2 9.157 -11.377 2.635 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.145 -10.149 2.717 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.121 -12.115 3.184 1.00 0.00 N ATOM 0 H GLN A 2 8.238 -16.100 0.857 1.00 0.00 H new ATOM 0 HA GLN A 2 6.145 -14.148 1.613 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.242 -13.981 2.915 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.173 -13.878 1.434 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.023 -11.754 0.858 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.091 -11.858 2.339 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.098 -13.131 3.096 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.882 -11.664 3.692 1.00 0.00 H new ATOM 37 N TYR A 3 6.244 -12.814 -0.519 1.00 0.00 N ATOM 38 CA TYR A 3 6.087 -12.231 -1.844 1.00 0.00 C ATOM 39 C TYR A 3 6.267 -10.718 -1.791 1.00 0.00 C ATOM 40 O TYR A 3 5.961 -10.080 -0.782 1.00 0.00 O ATOM 41 CB TYR A 3 4.713 -12.575 -2.419 1.00 0.00 C ATOM 42 CG TYR A 3 4.486 -14.058 -2.605 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.420 -14.916 -1.513 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.329 -14.600 -3.875 1.00 0.00 C ATOM 45 CE1 TYR A 3 4.209 -16.272 -1.683 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.115 -15.952 -4.052 1.00 0.00 C ATOM 47 CZ TYR A 3 4.055 -16.784 -2.954 1.00 0.00 C ATOM 48 OH TYR A 3 3.840 -18.133 -3.129 1.00 0.00 O ATOM 0 H TYR A 3 5.703 -12.351 0.211 1.00 0.00 H new ATOM 0 HA TYR A 3 6.856 -12.650 -2.493 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.943 -12.179 -1.758 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.596 -12.075 -3.380 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.535 -14.517 -0.516 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.375 -13.952 -4.738 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.165 -16.926 -0.825 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.995 -16.357 -5.046 1.00 0.00 H new ATOM 0 HH TYR A 3 4.283 -18.631 -2.411 1.00 0.00 H new ATOM 58 N LYS A 4 6.764 -10.150 -2.884 1.00 0.00 N ATOM 59 CA LYS A 4 6.987 -8.711 -2.969 1.00 0.00 C ATOM 60 C LYS A 4 5.844 -8.024 -3.707 1.00 0.00 C ATOM 61 O LYS A 4 5.713 -8.155 -4.922 1.00 0.00 O ATOM 62 CB LYS A 4 8.312 -8.427 -3.682 1.00 0.00 C ATOM 63 CG LYS A 4 8.627 -6.945 -3.830 1.00 0.00 C ATOM 64 CD LYS A 4 8.890 -6.287 -2.486 1.00 0.00 C ATOM 65 CE LYS A 4 10.118 -6.875 -1.808 1.00 0.00 C ATOM 66 NZ LYS A 4 10.444 -6.172 -0.535 1.00 0.00 N ATOM 0 H LYS A 4 7.021 -10.666 -3.726 1.00 0.00 H new ATOM 0 HA LYS A 4 7.030 -8.313 -1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.120 -8.907 -3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.286 -8.884 -4.671 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.499 -6.821 -4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.794 -6.444 -4.323 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.029 -5.215 -2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.021 -6.415 -1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.948 -7.932 -1.605 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.970 -6.813 -2.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.319 -5.624 -0.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.665 -5.530 -0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.575 -6.871 0.224 1.00 0.00 H new ATOM 80 N VAL A 5 5.025 -7.281 -2.971 1.00 0.00 N ATOM 81 CA VAL A 5 3.906 -6.567 -3.570 1.00 0.00 C ATOM 82 C VAL A 5 4.294 -5.121 -3.863 1.00 0.00 C ATOM 83 O VAL A 5 4.800 -4.414 -2.993 1.00 0.00 O ATOM 84 CB VAL A 5 2.657 -6.598 -2.663 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.491 -5.879 -3.329 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.278 -8.031 -2.320 1.00 0.00 C ATOM 0 H VAL A 5 5.115 -7.158 -1.962 1.00 0.00 H new ATOM 0 HA VAL A 5 3.659 -7.073 -4.503 1.00 0.00 H new ATOM 0 HB VAL A 5 2.895 -6.076 -1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.621 -5.912 -2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.764 -4.841 -3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.253 -6.369 -4.273 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.396 -8.031 -1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.061 -8.579 -3.237 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.105 -8.511 -1.797 1.00 0.00 H new ATOM 96 N ILE A 6 4.068 -4.694 -5.098 1.00 0.00 N ATOM 97 CA ILE A 6 4.403 -3.339 -5.522 1.00 0.00 C ATOM 98 C ILE A 6 3.148 -2.497 -5.732 1.00 0.00 C ATOM 99 O ILE A 6 2.232 -2.900 -6.448 1.00 0.00 O ATOM 100 CB ILE A 6 5.232 -3.366 -6.823 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.584 -4.036 -6.576 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.425 -1.964 -7.381 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.444 -4.142 -7.817 1.00 0.00 C ATOM 0 H ILE A 6 3.651 -5.270 -5.829 1.00 0.00 H new ATOM 0 HA ILE A 6 4.996 -2.885 -4.728 1.00 0.00 H new ATOM 0 HB ILE A 6 4.682 -3.947 -7.563 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.126 -3.473 -5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.417 -5.035 -6.174 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.013 -2.015 -8.298 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.453 -1.522 -7.598 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.948 -1.350 -6.648 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.387 -4.627 -7.566 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.923 -4.731 -8.572 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.642 -3.144 -8.208 1.00 0.00 H new ATOM 115 N LEU A 7 3.110 -1.329 -5.099 1.00 0.00 N ATOM 116 CA LEU A 7 1.965 -0.434 -5.213 1.00 0.00 C ATOM 117 C LEU A 7 2.323 0.778 -6.075 1.00 0.00 C ATOM 118 O LEU A 7 2.897 1.752 -5.588 1.00 0.00 O ATOM 119 CB LEU A 7 1.519 0.012 -3.816 1.00 0.00 C ATOM 120 CG LEU A 7 1.561 -1.084 -2.755 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.089 -0.543 -1.415 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.719 -2.274 -3.194 1.00 0.00 C ATOM 0 H LEU A 7 3.860 -0.980 -4.502 1.00 0.00 H new ATOM 0 HA LEU A 7 1.143 -0.964 -5.694 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.154 0.837 -3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.502 0.399 -3.880 1.00 0.00 H new ATOM 0 HG LEU A 7 2.591 -1.422 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.125 -1.337 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.738 0.276 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.066 -0.180 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.757 -3.049 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.314 -1.956 -3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.110 -2.670 -4.131 1.00 0.00 H new ATOM 134 N ASN A 8 1.993 0.700 -7.364 1.00 0.00 N ATOM 135 CA ASN A 8 2.296 1.780 -8.305 1.00 0.00 C ATOM 136 C ASN A 8 1.063 2.617 -8.639 1.00 0.00 C ATOM 137 O ASN A 8 0.182 2.169 -9.363 1.00 0.00 O ATOM 138 CB ASN A 8 2.883 1.210 -9.601 1.00 0.00 C ATOM 139 CG ASN A 8 4.275 0.617 -9.432 1.00 0.00 C ATOM 140 OD1 ASN A 8 4.834 0.705 -8.230 1.00 0.00 O flip ATOM 141 ND2 ASN A 8 4.847 0.087 -10.384 1.00 0.00 N flip ATOM 0 H ASN A 8 1.516 -0.099 -7.781 1.00 0.00 H new ATOM 0 HA ASN A 8 3.025 2.428 -7.818 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.214 0.440 -9.985 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.923 2.001 -10.350 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.386 0.038 -11.293 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.782 -0.303 -10.264 1.00 0.00 H new ATOM 148 N GLY A 9 1.017 3.841 -8.126 1.00 0.00 N ATOM 149 CA GLY A 9 -0.109 4.715 -8.408 1.00 0.00 C ATOM 150 C GLY A 9 0.292 5.920 -9.232 1.00 0.00 C ATOM 151 O GLY A 9 1.408 5.985 -9.746 1.00 0.00 O ATOM 0 H GLY A 9 1.734 4.243 -7.523 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.878 4.154 -8.939 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.550 5.050 -7.469 1.00 0.00 H new ATOM 155 N LYS A 10 -0.620 6.878 -9.355 1.00 0.00 N ATOM 156 CA LYS A 10 -0.353 8.089 -10.117 1.00 0.00 C ATOM 157 C LYS A 10 0.510 9.052 -9.308 1.00 0.00 C ATOM 158 O LYS A 10 1.592 9.451 -9.740 1.00 0.00 O ATOM 159 CB LYS A 10 -1.664 8.771 -10.512 1.00 0.00 C ATOM 160 CG LYS A 10 -2.576 7.892 -11.354 1.00 0.00 C ATOM 161 CD LYS A 10 -3.862 8.614 -11.723 1.00 0.00 C ATOM 162 CE LYS A 10 -4.778 7.731 -12.555 1.00 0.00 C ATOM 163 NZ LYS A 10 -4.137 7.316 -13.833 1.00 0.00 N ATOM 0 H LYS A 10 -1.549 6.838 -8.937 1.00 0.00 H new ATOM 0 HA LYS A 10 0.187 7.810 -11.022 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.195 9.071 -9.608 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.438 9.682 -11.066 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.054 7.589 -12.262 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.814 6.981 -10.804 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.380 8.924 -10.815 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.625 9.520 -12.280 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.049 6.845 -11.980 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.703 8.267 -12.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.855 6.907 -14.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.705 8.145 -14.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.402 6.606 -13.638 1.00 0.00 H new ATOM 177 N THR A 11 0.019 9.422 -8.130 1.00 0.00 N ATOM 178 CA THR A 11 0.722 10.336 -7.249 1.00 0.00 C ATOM 179 C THR A 11 1.357 9.595 -6.080 1.00 0.00 C ATOM 180 O THR A 11 1.925 10.214 -5.178 1.00 0.00 O ATOM 181 CB THR A 11 -0.253 11.384 -6.722 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.494 10.787 -6.395 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.522 12.505 -7.699 1.00 0.00 C ATOM 0 H THR A 11 -0.875 9.096 -7.764 1.00 0.00 H new ATOM 0 HA THR A 11 1.517 10.819 -7.818 1.00 0.00 H new ATOM 0 HB THR A 11 0.228 11.809 -5.841 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.225 11.379 -6.671 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.224 13.212 -7.257 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.412 13.017 -7.931 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.949 12.095 -8.615 1.00 0.00 H new ATOM 191 N LEU A 12 1.256 8.271 -6.090 1.00 0.00 N ATOM 192 CA LEU A 12 1.816 7.464 -5.022 1.00 0.00 C ATOM 193 C LEU A 12 2.525 6.233 -5.575 1.00 0.00 C ATOM 194 O LEU A 12 2.023 5.565 -6.479 1.00 0.00 O ATOM 195 CB LEU A 12 0.716 7.054 -4.041 1.00 0.00 C ATOM 196 CG LEU A 12 1.180 6.197 -2.871 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.374 6.847 -2.200 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.048 5.991 -1.874 1.00 0.00 C ATOM 0 H LEU A 12 0.792 7.738 -6.826 1.00 0.00 H new ATOM 0 HA LEU A 12 2.556 8.065 -4.493 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.247 7.956 -3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.053 6.508 -4.588 1.00 0.00 H new ATOM 0 HG LEU A 12 1.478 5.218 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.702 6.230 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.187 6.945 -2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.093 7.834 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.400 5.376 -1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.282 6.958 -1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.785 5.492 -2.368 1.00 0.00 H new ATOM 210 N LYS A 13 3.692 5.939 -5.016 1.00 0.00 N ATOM 211 CA LYS A 13 4.480 4.786 -5.438 1.00 0.00 C ATOM 212 C LYS A 13 5.207 4.173 -4.247 1.00 0.00 C ATOM 213 O LYS A 13 5.618 4.884 -3.331 1.00 0.00 O ATOM 214 CB LYS A 13 5.486 5.197 -6.514 1.00 0.00 C ATOM 215 CG LYS A 13 4.839 5.764 -7.767 1.00 0.00 C ATOM 216 CD LYS A 13 5.880 6.162 -8.801 1.00 0.00 C ATOM 217 CE LYS A 13 6.805 7.246 -8.270 1.00 0.00 C ATOM 218 NZ LYS A 13 6.058 8.476 -7.891 1.00 0.00 N ATOM 0 H LYS A 13 4.116 6.485 -4.266 1.00 0.00 H new ATOM 0 HA LYS A 13 3.804 4.040 -5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.167 5.940 -6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.088 4.330 -6.787 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.164 5.024 -8.196 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.235 6.632 -7.505 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.466 5.288 -9.084 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.382 6.517 -9.703 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.347 6.868 -7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.549 7.492 -9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.729 9.254 -7.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.405 8.736 -8.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.517 8.299 -7.021 1.00 0.00 H new ATOM 232 N GLY A 14 5.364 2.853 -4.258 1.00 0.00 N ATOM 233 CA GLY A 14 6.045 2.192 -3.159 1.00 0.00 C ATOM 234 C GLY A 14 6.134 0.691 -3.329 1.00 0.00 C ATOM 235 O GLY A 14 5.841 0.156 -4.397 1.00 0.00 O ATOM 0 H GLY A 14 5.036 2.234 -5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.051 2.601 -3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.522 2.415 -2.229 1.00 0.00 H new ATOM 239 N GLU A 15 6.540 0.011 -2.261 1.00 0.00 N ATOM 240 CA GLU A 15 6.669 -1.439 -2.277 1.00 0.00 C ATOM 241 C GLU A 15 6.262 -2.032 -0.933 1.00 0.00 C ATOM 242 O GLU A 15 6.349 -1.370 0.102 1.00 0.00 O ATOM 243 CB GLU A 15 8.107 -1.840 -2.612 1.00 0.00 C ATOM 244 CG GLU A 15 8.576 -1.345 -3.970 1.00 0.00 C ATOM 245 CD GLU A 15 10.002 -1.757 -4.282 1.00 0.00 C ATOM 246 OE1 GLU A 15 10.273 -2.977 -4.321 1.00 0.00 O ATOM 247 OE2 GLU A 15 10.848 -0.862 -4.486 1.00 0.00 O ATOM 0 H GLU A 15 6.786 0.445 -1.371 1.00 0.00 H new ATOM 0 HA GLU A 15 6.003 -1.832 -3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.773 -1.449 -1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.189 -2.927 -2.583 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.913 -1.733 -4.743 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.501 -0.258 -4.002 1.00 0.00 H new ATOM 254 N THR A 16 5.811 -3.279 -0.958 1.00 0.00 N ATOM 255 CA THR A 16 5.379 -3.967 0.253 1.00 0.00 C ATOM 256 C THR A 16 5.592 -5.479 0.132 1.00 0.00 C ATOM 257 O THR A 16 5.895 -5.983 -0.949 1.00 0.00 O ATOM 258 CB THR A 16 3.912 -3.645 0.546 1.00 0.00 C ATOM 259 OG1 THR A 16 3.352 -4.617 1.393 1.00 0.00 O ATOM 260 CG2 THR A 16 3.044 -3.554 -0.690 1.00 0.00 C ATOM 0 H THR A 16 5.734 -3.838 -1.808 1.00 0.00 H new ATOM 0 HA THR A 16 5.986 -3.613 1.086 1.00 0.00 H new ATOM 0 HB THR A 16 3.928 -2.663 1.019 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.375 -4.580 1.332 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.019 -3.323 -0.399 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.422 -2.767 -1.343 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.065 -4.506 -1.220 1.00 0.00 H new ATOM 268 N THR A 17 5.454 -6.194 1.251 1.00 0.00 N ATOM 269 CA THR A 17 5.656 -7.642 1.257 1.00 0.00 C ATOM 270 C THR A 17 4.689 -8.372 2.191 1.00 0.00 C ATOM 271 O THR A 17 4.667 -8.127 3.397 1.00 0.00 O ATOM 272 CB THR A 17 7.091 -7.966 1.669 1.00 0.00 C ATOM 273 OG1 THR A 17 7.374 -7.442 2.955 1.00 0.00 O ATOM 274 CG2 THR A 17 8.126 -7.420 0.713 1.00 0.00 C ATOM 0 H THR A 17 5.205 -5.797 2.157 1.00 0.00 H new ATOM 0 HA THR A 17 5.460 -7.991 0.243 1.00 0.00 H new ATOM 0 HB THR A 17 7.154 -9.054 1.663 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.623 -7.627 3.556 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.123 -7.686 1.065 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.966 -7.845 -0.278 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.037 -6.335 0.661 1.00 0.00 H new ATOM 282 N THR A 18 3.910 -9.288 1.618 1.00 0.00 N ATOM 283 CA THR A 18 2.952 -10.089 2.381 1.00 0.00 C ATOM 284 C THR A 18 3.451 -11.530 2.495 1.00 0.00 C ATOM 285 O THR A 18 4.028 -12.068 1.549 1.00 0.00 O ATOM 286 CB THR A 18 1.579 -10.070 1.701 1.00 0.00 C ATOM 287 OG1 THR A 18 0.617 -10.711 2.517 1.00 0.00 O ATOM 288 CG2 THR A 18 1.567 -10.756 0.351 1.00 0.00 C ATOM 0 H THR A 18 3.924 -9.496 0.619 1.00 0.00 H new ATOM 0 HA THR A 18 2.857 -9.660 3.379 1.00 0.00 H new ATOM 0 HB THR A 18 1.340 -9.017 1.553 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.869 -10.612 3.459 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.564 -10.706 -0.074 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.270 -10.257 -0.317 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.858 -11.800 0.471 1.00 0.00 H new ATOM 296 N GLU A 19 3.223 -12.152 3.645 1.00 0.00 N ATOM 297 CA GLU A 19 3.649 -13.532 3.865 1.00 0.00 C ATOM 298 C GLU A 19 2.459 -14.477 3.758 1.00 0.00 C ATOM 299 O GLU A 19 1.529 -14.402 4.560 1.00 0.00 O ATOM 300 CB GLU A 19 4.303 -13.672 5.243 1.00 0.00 C ATOM 301 CG GLU A 19 4.783 -15.081 5.552 1.00 0.00 C ATOM 302 CD GLU A 19 5.881 -15.546 4.615 1.00 0.00 C ATOM 303 OE1 GLU A 19 6.291 -14.753 3.742 1.00 0.00 O ATOM 304 OE2 GLU A 19 6.332 -16.702 4.755 1.00 0.00 O ATOM 0 H GLU A 19 2.747 -11.725 4.440 1.00 0.00 H new ATOM 0 HA GLU A 19 4.378 -13.795 3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.149 -12.988 5.305 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.589 -13.365 6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.147 -15.119 6.579 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.940 -15.769 5.487 1.00 0.00 H new ATOM 311 N ALA A 20 2.480 -15.363 2.764 1.00 0.00 N ATOM 312 CA ALA A 20 1.381 -16.303 2.575 1.00 0.00 C ATOM 313 C ALA A 20 1.858 -17.626 1.977 1.00 0.00 C ATOM 314 O ALA A 20 2.859 -17.680 1.262 1.00 0.00 O ATOM 315 CB ALA A 20 0.312 -15.681 1.690 1.00 0.00 C ATOM 0 H ALA A 20 3.237 -15.448 2.085 1.00 0.00 H new ATOM 0 HA ALA A 20 0.959 -16.521 3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.505 -16.389 1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.068 -14.775 2.161 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.742 -15.432 0.720 1.00 0.00 H new ATOM 321 N VAL A 21 1.135 -18.693 2.304 1.00 0.00 N ATOM 322 CA VAL A 21 1.470 -20.037 1.839 1.00 0.00 C ATOM 323 C VAL A 21 1.686 -20.081 0.324 1.00 0.00 C ATOM 324 O VAL A 21 2.412 -20.935 -0.181 1.00 0.00 O ATOM 325 CB VAL A 21 0.363 -21.039 2.210 1.00 0.00 C ATOM 326 CG1 VAL A 21 0.778 -22.460 1.860 1.00 0.00 C ATOM 327 CG2 VAL A 21 0.015 -20.922 3.687 1.00 0.00 C ATOM 0 H VAL A 21 0.305 -18.652 2.895 1.00 0.00 H new ATOM 0 HA VAL A 21 2.401 -20.313 2.335 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.527 -20.799 1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.021 -23.150 2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.969 -22.530 0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.684 -22.720 2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.770 -21.637 3.934 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.900 -21.133 4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.335 -19.912 3.899 1.00 0.00 H new ATOM 337 N ASP A 22 1.071 -19.148 -0.394 1.00 0.00 N ATOM 338 CA ASP A 22 1.226 -19.090 -1.848 1.00 0.00 C ATOM 339 C ASP A 22 0.893 -17.704 -2.391 1.00 0.00 C ATOM 340 O ASP A 22 0.481 -16.817 -1.644 1.00 0.00 O ATOM 341 CB ASP A 22 0.363 -20.156 -2.532 1.00 0.00 C ATOM 342 CG ASP A 22 -1.121 -19.934 -2.331 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.489 -18.918 -1.713 1.00 0.00 O ATOM 344 OD2 ASP A 22 -1.916 -20.776 -2.799 1.00 0.00 O ATOM 0 H ASP A 22 0.466 -18.427 -0.001 1.00 0.00 H new ATOM 0 HA ASP A 22 2.273 -19.295 -2.074 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.582 -20.163 -3.600 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.634 -21.138 -2.145 1.00 0.00 H new ATOM 349 N ALA A 23 1.089 -17.523 -3.693 1.00 0.00 N ATOM 350 CA ALA A 23 0.825 -16.243 -4.338 1.00 0.00 C ATOM 351 C ALA A 23 -0.615 -15.795 -4.134 1.00 0.00 C ATOM 352 O ALA A 23 -0.873 -14.627 -3.849 1.00 0.00 O ATOM 353 CB ALA A 23 1.156 -16.320 -5.822 1.00 0.00 C ATOM 0 H ALA A 23 1.431 -18.249 -4.323 1.00 0.00 H new ATOM 0 HA ALA A 23 1.468 -15.498 -3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.954 -15.357 -6.290 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.209 -16.570 -5.947 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.542 -17.088 -6.292 1.00 0.00 H new ATOM 359 N ALA A 24 -1.549 -16.724 -4.272 1.00 0.00 N ATOM 360 CA ALA A 24 -2.957 -16.404 -4.087 1.00 0.00 C ATOM 361 C ALA A 24 -3.201 -15.934 -2.664 1.00 0.00 C ATOM 362 O ALA A 24 -3.687 -14.827 -2.444 1.00 0.00 O ATOM 363 CB ALA A 24 -3.832 -17.603 -4.420 1.00 0.00 C ATOM 0 H ALA A 24 -1.360 -17.698 -4.509 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.224 -15.597 -4.770 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.880 -17.340 -4.274 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.672 -17.893 -5.458 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.572 -18.436 -3.766 1.00 0.00 H new ATOM 369 N THR A 25 -2.826 -16.766 -1.695 1.00 0.00 N ATOM 370 CA THR A 25 -2.978 -16.410 -0.296 1.00 0.00 C ATOM 371 C THR A 25 -2.365 -15.040 -0.060 1.00 0.00 C ATOM 372 O THR A 25 -2.973 -14.173 0.568 1.00 0.00 O ATOM 373 CB THR A 25 -2.304 -17.456 0.593 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.944 -17.616 0.236 1.00 0.00 O ATOM 375 CG2 THR A 25 -2.961 -18.818 0.527 1.00 0.00 C ATOM 0 H THR A 25 -2.417 -17.686 -1.857 1.00 0.00 H new ATOM 0 HA THR A 25 -4.038 -16.379 -0.042 1.00 0.00 H new ATOM 0 HB THR A 25 -2.404 -17.075 1.609 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.861 -17.628 -0.740 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.431 -19.510 1.182 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.999 -18.737 0.849 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.926 -19.189 -0.497 1.00 0.00 H new ATOM 383 N ALA A 26 -1.165 -14.840 -0.602 1.00 0.00 N ATOM 384 CA ALA A 26 -0.489 -13.561 -0.483 1.00 0.00 C ATOM 385 C ALA A 26 -1.353 -12.483 -1.116 1.00 0.00 C ATOM 386 O ALA A 26 -1.663 -11.469 -0.489 1.00 0.00 O ATOM 387 CB ALA A 26 0.880 -13.615 -1.147 1.00 0.00 C ATOM 0 H ALA A 26 -0.647 -15.547 -1.124 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.337 -13.327 0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.371 -12.647 -1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.488 -14.382 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.763 -13.855 -2.204 1.00 0.00 H new ATOM 393 N GLU A 27 -1.754 -12.719 -2.365 1.00 0.00 N ATOM 394 CA GLU A 27 -2.600 -11.786 -3.089 1.00 0.00 C ATOM 395 C GLU A 27 -3.845 -11.443 -2.278 1.00 0.00 C ATOM 396 O GLU A 27 -4.179 -10.272 -2.105 1.00 0.00 O ATOM 397 CB GLU A 27 -3.007 -12.385 -4.437 1.00 0.00 C ATOM 398 CG GLU A 27 -3.889 -11.472 -5.271 1.00 0.00 C ATOM 399 CD GLU A 27 -4.277 -12.091 -6.602 1.00 0.00 C ATOM 400 OE1 GLU A 27 -4.912 -13.165 -6.594 1.00 0.00 O ATOM 401 OE2 GLU A 27 -3.944 -11.500 -7.651 1.00 0.00 O ATOM 0 H GLU A 27 -1.502 -13.554 -2.894 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.034 -10.870 -3.258 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.108 -12.624 -5.005 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.533 -13.324 -4.263 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.792 -11.232 -4.709 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.366 -10.532 -5.450 1.00 0.00 H new ATOM 408 N LYS A 28 -4.521 -12.474 -1.772 1.00 0.00 N ATOM 409 CA LYS A 28 -5.722 -12.281 -0.971 1.00 0.00 C ATOM 410 C LYS A 28 -5.417 -11.444 0.262 1.00 0.00 C ATOM 411 O LYS A 28 -6.172 -10.538 0.614 1.00 0.00 O ATOM 412 CB LYS A 28 -6.311 -13.630 -0.556 1.00 0.00 C ATOM 413 CG LYS A 28 -6.739 -14.490 -1.732 1.00 0.00 C ATOM 414 CD LYS A 28 -7.724 -13.754 -2.622 1.00 0.00 C ATOM 415 CE LYS A 28 -8.166 -14.611 -3.797 1.00 0.00 C ATOM 416 NZ LYS A 28 -9.135 -13.897 -4.673 1.00 0.00 N ATOM 0 H LYS A 28 -4.255 -13.450 -1.904 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.454 -11.750 -1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.573 -14.174 0.033 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.171 -13.459 0.091 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.863 -14.776 -2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.193 -15.411 -1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.596 -13.461 -2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.266 -12.837 -2.992 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.294 -14.902 -4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.621 -15.529 -3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.411 -14.516 -5.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.979 -13.642 -4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.693 -13.034 -5.049 1.00 0.00 H new ATOM 430 N VAL A 29 -4.295 -11.745 0.904 1.00 0.00 N ATOM 431 CA VAL A 29 -3.879 -11.008 2.089 1.00 0.00 C ATOM 432 C VAL A 29 -3.777 -9.525 1.773 1.00 0.00 C ATOM 433 O VAL A 29 -4.157 -8.677 2.580 1.00 0.00 O ATOM 434 CB VAL A 29 -2.524 -11.517 2.621 1.00 0.00 C ATOM 435 CG1 VAL A 29 -2.060 -10.680 3.802 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.619 -12.987 3.008 1.00 0.00 C ATOM 0 H VAL A 29 -3.659 -12.492 0.625 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.632 -11.167 2.861 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.786 -11.419 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.102 -11.057 4.161 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.947 -9.642 3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.797 -10.741 4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.653 -13.328 3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.373 -13.111 3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.899 -13.576 2.135 1.00 0.00 H new ATOM 446 N VAL A 30 -3.281 -9.223 0.582 1.00 0.00 N ATOM 447 CA VAL A 30 -3.150 -7.847 0.147 1.00 0.00 C ATOM 448 C VAL A 30 -4.534 -7.218 0.006 1.00 0.00 C ATOM 449 O VAL A 30 -4.786 -6.129 0.517 1.00 0.00 O ATOM 450 CB VAL A 30 -2.398 -7.751 -1.191 1.00 0.00 C ATOM 451 CG1 VAL A 30 -2.154 -6.299 -1.564 1.00 0.00 C ATOM 452 CG2 VAL A 30 -1.088 -8.521 -1.124 1.00 0.00 C ATOM 0 H VAL A 30 -2.964 -9.914 -0.098 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.574 -7.308 0.899 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.017 -8.201 -1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.621 -6.252 -2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.109 -5.782 -1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.557 -5.820 -0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.570 -8.442 -2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.461 -8.104 -0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.293 -9.570 -0.908 1.00 0.00 H new ATOM 462 N LYS A 31 -5.443 -7.922 -0.676 1.00 0.00 N ATOM 463 CA LYS A 31 -6.808 -7.427 -0.850 1.00 0.00 C ATOM 464 C LYS A 31 -7.394 -7.004 0.490 1.00 0.00 C ATOM 465 O LYS A 31 -7.995 -5.936 0.605 1.00 0.00 O ATOM 466 CB LYS A 31 -7.709 -8.478 -1.508 1.00 0.00 C ATOM 467 CG LYS A 31 -7.559 -8.560 -3.020 1.00 0.00 C ATOM 468 CD LYS A 31 -6.169 -9.006 -3.428 1.00 0.00 C ATOM 469 CE LYS A 31 -5.988 -8.951 -4.936 1.00 0.00 C ATOM 470 NZ LYS A 31 -6.933 -9.858 -5.643 1.00 0.00 N ATOM 0 H LYS A 31 -5.260 -8.826 -1.111 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.762 -6.561 -1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.486 -9.454 -1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.748 -8.253 -1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.296 -9.257 -3.420 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.771 -7.585 -3.459 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.426 -8.370 -2.948 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.994 -10.023 -3.076 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.139 -7.929 -5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.964 -9.226 -5.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.689 -9.894 -6.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.868 -10.813 -5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.904 -9.501 -5.534 1.00 0.00 H new ATOM 484 N GLN A 32 -7.194 -7.837 1.504 1.00 0.00 N ATOM 485 CA GLN A 32 -7.687 -7.531 2.840 1.00 0.00 C ATOM 486 C GLN A 32 -6.943 -6.319 3.388 1.00 0.00 C ATOM 487 O GLN A 32 -7.526 -5.450 4.033 1.00 0.00 O ATOM 488 CB GLN A 32 -7.501 -8.732 3.770 1.00 0.00 C ATOM 489 CG GLN A 32 -8.059 -8.516 5.169 1.00 0.00 C ATOM 490 CD GLN A 32 -9.575 -8.350 5.210 1.00 0.00 C ATOM 491 OE1 GLN A 32 -10.250 -8.577 4.082 1.00 0.00 O flip ATOM 492 NE2 GLN A 32 -10.139 -8.035 6.256 1.00 0.00 N flip ATOM 0 H GLN A 32 -6.697 -8.724 1.427 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.752 -7.307 2.784 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.985 -9.602 3.326 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.438 -8.961 3.844 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.779 -9.362 5.796 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.594 -7.630 5.602 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.592 -7.869 7.100 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.154 -7.940 6.279 1.00 0.00 H new ATOM 501 N PHE A 33 -5.645 -6.275 3.107 1.00 0.00 N ATOM 502 CA PHE A 33 -4.788 -5.180 3.543 1.00 0.00 C ATOM 503 C PHE A 33 -5.373 -3.834 3.104 1.00 0.00 C ATOM 504 O PHE A 33 -5.679 -2.974 3.929 1.00 0.00 O ATOM 505 CB PHE A 33 -3.384 -5.377 2.951 1.00 0.00 C ATOM 506 CG PHE A 33 -2.351 -4.419 3.467 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.830 -4.575 4.739 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.897 -3.367 2.680 1.00 0.00 C ATOM 509 CE1 PHE A 33 -0.876 -3.701 5.220 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.942 -2.492 3.161 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.433 -2.661 4.433 1.00 0.00 C ATOM 0 H PHE A 33 -5.159 -6.995 2.572 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.725 -5.179 4.631 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.055 -6.395 3.161 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.443 -5.278 1.867 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.173 -5.388 5.362 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.294 -3.233 1.685 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.476 -3.833 6.215 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.594 -1.677 2.543 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.313 -1.978 4.811 1.00 0.00 H new ATOM 521 N PHE A 34 -5.531 -3.679 1.796 1.00 0.00 N ATOM 522 CA PHE A 34 -6.082 -2.453 1.222 1.00 0.00 C ATOM 523 C PHE A 34 -7.572 -2.329 1.513 1.00 0.00 C ATOM 524 O PHE A 34 -8.061 -1.244 1.824 1.00 0.00 O ATOM 525 CB PHE A 34 -5.783 -2.403 -0.272 1.00 0.00 C ATOM 526 CG PHE A 34 -4.306 -2.397 -0.522 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.494 -1.502 0.156 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.726 -3.294 -1.398 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.130 -1.506 -0.032 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.359 -3.296 -1.597 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.562 -2.402 -0.909 1.00 0.00 C ATOM 0 H PHE A 34 -5.285 -4.390 1.107 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.602 -1.594 1.692 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.236 -3.262 -0.766 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.233 -1.511 -0.707 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.936 -0.793 0.840 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.346 -3.999 -1.931 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.507 -0.808 0.507 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.914 -3.995 -2.289 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.493 -2.406 -1.059 1.00 0.00 H new ATOM 541 N ASN A 35 -8.283 -3.445 1.447 1.00 0.00 N ATOM 542 CA ASN A 35 -9.712 -3.455 1.743 1.00 0.00 C ATOM 543 C ASN A 35 -9.967 -2.775 3.089 1.00 0.00 C ATOM 544 O ASN A 35 -10.955 -2.064 3.272 1.00 0.00 O ATOM 545 CB ASN A 35 -10.220 -4.899 1.800 1.00 0.00 C ATOM 546 CG ASN A 35 -11.668 -4.999 2.242 1.00 0.00 C ATOM 547 OD1 ASN A 35 -12.059 -4.443 3.268 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.462 -5.736 1.483 1.00 0.00 N ATOM 0 H ASN A 35 -7.897 -4.354 1.192 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.241 -2.915 0.958 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.114 -5.355 0.816 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.596 -5.472 2.486 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.441 -5.861 1.740 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.095 -6.179 0.640 1.00 0.00 H new ATOM 555 N ASP A 36 -9.061 -3.027 4.028 1.00 0.00 N ATOM 556 CA ASP A 36 -9.160 -2.473 5.377 1.00 0.00 C ATOM 557 C ASP A 36 -8.373 -1.170 5.543 1.00 0.00 C ATOM 558 O ASP A 36 -8.716 -0.348 6.392 1.00 0.00 O ATOM 559 CB ASP A 36 -8.688 -3.502 6.406 1.00 0.00 C ATOM 560 CG ASP A 36 -9.538 -4.758 6.397 1.00 0.00 C ATOM 561 OD1 ASP A 36 -9.624 -5.410 5.335 1.00 0.00 O ATOM 562 OD2 ASP A 36 -10.118 -5.090 7.452 1.00 0.00 O ATOM 0 H ASP A 36 -8.242 -3.617 3.879 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.211 -2.236 5.544 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.651 -3.767 6.202 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.713 -3.056 7.400 1.00 0.00 H new ATOM 567 N ASN A 37 -7.334 -0.965 4.736 1.00 0.00 N ATOM 568 CA ASN A 37 -6.551 0.267 4.829 1.00 0.00 C ATOM 569 C ASN A 37 -7.292 1.396 4.131 1.00 0.00 C ATOM 570 O ASN A 37 -7.404 2.502 4.659 1.00 0.00 O ATOM 571 CB ASN A 37 -5.160 0.103 4.206 1.00 0.00 C ATOM 572 CG ASN A 37 -4.290 -0.888 4.954 1.00 0.00 C ATOM 573 OD1 ASN A 37 -4.261 -0.902 6.185 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.542 -1.699 4.212 1.00 0.00 N ATOM 0 H ASN A 37 -7.018 -1.622 4.023 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.420 0.502 5.885 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.267 -0.224 3.172 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.661 1.072 4.184 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.914 -2.366 4.660 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.597 -1.655 3.194 1.00 0.00 H new ATOM 581 N GLY A 38 -7.793 1.076 2.938 1.00 0.00 N ATOM 582 CA GLY A 38 -8.542 2.010 2.111 1.00 0.00 C ATOM 583 C GLY A 38 -8.803 3.375 2.728 1.00 0.00 C ATOM 584 O GLY A 38 -7.879 4.159 2.949 1.00 0.00 O ATOM 0 H GLY A 38 -7.687 0.152 2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.001 2.152 1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.501 1.556 1.860 1.00 0.00 H new ATOM 588 N VAL A 39 -10.081 3.681 2.925 1.00 0.00 N ATOM 589 CA VAL A 39 -10.493 4.990 3.427 1.00 0.00 C ATOM 590 C VAL A 39 -10.447 5.152 4.947 1.00 0.00 C ATOM 591 O VAL A 39 -9.834 6.098 5.443 1.00 0.00 O ATOM 592 CB VAL A 39 -11.911 5.328 2.924 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.415 6.632 3.529 1.00 0.00 C ATOM 594 CG2 VAL A 39 -11.925 5.404 1.407 1.00 0.00 C ATOM 0 H VAL A 39 -10.853 3.039 2.744 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.753 5.686 3.032 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.583 4.531 3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.417 6.843 3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.444 6.542 4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.745 7.445 3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.932 5.643 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.235 6.179 1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.619 4.444 0.992 1.00 0.00 H new ATOM 604 N ASP A 40 -11.121 4.288 5.690 1.00 0.00 N ATOM 605 CA ASP A 40 -11.166 4.426 7.148 1.00 0.00 C ATOM 606 C ASP A 40 -10.062 3.655 7.866 1.00 0.00 C ATOM 607 O ASP A 40 -10.231 3.263 9.021 1.00 0.00 O ATOM 608 CB ASP A 40 -12.530 3.970 7.672 1.00 0.00 C ATOM 609 CG ASP A 40 -13.671 4.788 7.099 1.00 0.00 C ATOM 610 OD1 ASP A 40 -13.685 6.019 7.310 1.00 0.00 O ATOM 611 OD2 ASP A 40 -14.552 4.198 6.438 1.00 0.00 O ATOM 0 H ASP A 40 -11.640 3.492 5.319 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.005 5.482 7.363 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.679 2.919 7.424 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.542 4.045 8.759 1.00 0.00 H new ATOM 616 N GLY A 41 -8.937 3.442 7.200 1.00 0.00 N ATOM 617 CA GLY A 41 -7.845 2.723 7.831 1.00 0.00 C ATOM 618 C GLY A 41 -7.255 3.485 9.007 1.00 0.00 C ATOM 619 O GLY A 41 -7.161 4.712 8.974 1.00 0.00 O ATOM 0 H GLY A 41 -8.759 3.750 6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.202 1.752 8.173 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.064 2.534 7.095 1.00 0.00 H new ATOM 623 N GLU A 42 -6.848 2.754 10.043 1.00 0.00 N ATOM 624 CA GLU A 42 -6.251 3.369 11.227 1.00 0.00 C ATOM 625 C GLU A 42 -4.836 3.839 10.916 1.00 0.00 C ATOM 626 O GLU A 42 -3.878 3.074 11.032 1.00 0.00 O ATOM 627 CB GLU A 42 -6.230 2.379 12.393 1.00 0.00 C ATOM 628 CG GLU A 42 -7.610 1.908 12.821 1.00 0.00 C ATOM 629 CD GLU A 42 -8.481 3.035 13.346 1.00 0.00 C ATOM 630 OE1 GLU A 42 -7.998 4.186 13.398 1.00 0.00 O ATOM 631 OE2 GLU A 42 -9.645 2.765 13.708 1.00 0.00 O ATOM 0 H GLU A 42 -6.920 1.738 10.087 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.856 4.229 11.513 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.632 1.513 12.111 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.735 2.845 13.245 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.107 1.436 11.973 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.505 1.146 13.593 1.00 0.00 H new ATOM 638 N TRP A 43 -4.711 5.095 10.493 1.00 0.00 N ATOM 639 CA TRP A 43 -3.411 5.650 10.133 1.00 0.00 C ATOM 640 C TRP A 43 -2.885 6.626 11.181 1.00 0.00 C ATOM 641 O TRP A 43 -3.590 7.541 11.604 1.00 0.00 O ATOM 642 CB TRP A 43 -3.495 6.398 8.803 1.00 0.00 C ATOM 643 CG TRP A 43 -4.047 5.606 7.656 1.00 0.00 C ATOM 644 CD1 TRP A 43 -4.676 4.393 7.692 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.018 6.001 6.286 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.043 4.018 6.421 1.00 0.00 N ATOM 647 CE2 TRP A 43 -4.647 4.989 5.542 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.517 7.118 5.618 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -4.793 5.063 4.163 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.659 7.190 4.250 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.293 6.170 3.533 1.00 0.00 C ATOM 0 H TRP A 43 -5.491 5.744 10.392 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.730 4.802 10.061 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.114 7.284 8.942 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.497 6.745 8.536 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.858 3.815 8.586 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.531 3.157 6.174 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.027 7.911 6.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.283 4.276 3.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -3.274 8.049 3.721 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.390 6.258 2.461 1.00 0.00 H new ATOM 662 N THR A 44 -1.623 6.449 11.559 1.00 0.00 N ATOM 663 CA THR A 44 -0.973 7.337 12.513 1.00 0.00 C ATOM 664 C THR A 44 0.124 8.120 11.794 1.00 0.00 C ATOM 665 O THR A 44 0.799 7.583 10.917 1.00 0.00 O ATOM 666 CB THR A 44 -0.387 6.543 13.683 1.00 0.00 C ATOM 667 OG1 THR A 44 0.534 5.573 13.224 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.439 5.827 14.502 1.00 0.00 C ATOM 0 H THR A 44 -1.029 5.694 11.216 1.00 0.00 H new ATOM 0 HA THR A 44 -1.710 8.030 12.920 1.00 0.00 H new ATOM 0 HB THR A 44 0.105 7.282 14.315 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.238 6.011 12.701 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.959 5.283 15.315 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.137 6.556 14.915 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.980 5.126 13.866 1.00 0.00 H new ATOM 676 N TYR A 45 0.290 9.392 12.143 1.00 0.00 N ATOM 677 CA TYR A 45 1.295 10.227 11.490 1.00 0.00 C ATOM 678 C TYR A 45 2.437 10.577 12.441 1.00 0.00 C ATOM 679 O TYR A 45 2.221 10.822 13.627 1.00 0.00 O ATOM 680 CB TYR A 45 0.645 11.505 10.955 1.00 0.00 C ATOM 681 CG TYR A 45 1.558 12.352 10.092 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.530 11.768 9.288 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.440 13.735 10.078 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.359 12.542 8.497 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.265 14.515 9.290 1.00 0.00 C ATOM 686 CZ TYR A 45 3.223 13.914 8.502 1.00 0.00 C ATOM 687 OH TYR A 45 4.046 14.685 7.715 1.00 0.00 O ATOM 0 H TYR A 45 -0.252 9.864 12.867 1.00 0.00 H new ATOM 0 HA TYR A 45 1.715 9.659 10.660 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.237 11.235 10.375 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.301 12.105 11.798 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.639 10.694 9.281 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.690 14.210 10.694 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.110 12.074 7.878 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.160 15.590 9.292 1.00 0.00 H new ATOM 0 HH TYR A 45 3.820 15.631 7.833 1.00 0.00 H new ATOM 697 N ASP A 46 3.657 10.601 11.906 1.00 0.00 N ATOM 698 CA ASP A 46 4.839 10.926 12.696 1.00 0.00 C ATOM 699 C ASP A 46 5.586 12.110 12.084 1.00 0.00 C ATOM 700 O ASP A 46 6.548 11.929 11.337 1.00 0.00 O ATOM 701 CB ASP A 46 5.766 9.712 12.788 1.00 0.00 C ATOM 702 CG ASP A 46 7.004 9.988 13.619 1.00 0.00 C ATOM 703 OD1 ASP A 46 7.773 10.900 13.254 1.00 0.00 O ATOM 704 OD2 ASP A 46 7.204 9.289 14.636 1.00 0.00 O ATOM 0 H ASP A 46 3.851 10.398 10.925 1.00 0.00 H new ATOM 0 HA ASP A 46 4.516 11.201 13.700 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.220 8.874 13.222 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.066 9.411 11.784 1.00 0.00 H new ATOM 709 N ASP A 47 5.135 13.321 12.401 1.00 0.00 N ATOM 710 CA ASP A 47 5.757 14.537 11.878 1.00 0.00 C ATOM 711 C ASP A 47 7.275 14.498 12.038 1.00 0.00 C ATOM 712 O ASP A 47 8.013 14.978 11.178 1.00 0.00 O ATOM 713 CB ASP A 47 5.198 15.768 12.594 1.00 0.00 C ATOM 714 CG ASP A 47 3.691 15.876 12.475 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.077 14.980 11.859 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.122 16.857 13.000 1.00 0.00 O ATOM 0 H ASP A 47 4.340 13.488 13.018 1.00 0.00 H new ATOM 0 HA ASP A 47 5.524 14.597 10.815 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.474 15.727 13.648 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.657 16.665 12.179 1.00 0.00 H new ATOM 721 N ALA A 48 7.730 13.934 13.151 1.00 0.00 N ATOM 722 CA ALA A 48 9.157 13.839 13.440 1.00 0.00 C ATOM 723 C ALA A 48 9.939 13.248 12.268 1.00 0.00 C ATOM 724 O ALA A 48 11.102 13.595 12.053 1.00 0.00 O ATOM 725 CB ALA A 48 9.384 13.010 14.695 1.00 0.00 C ATOM 0 H ALA A 48 7.129 13.534 13.871 1.00 0.00 H new ATOM 0 HA ALA A 48 9.527 14.851 13.604 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.453 12.946 14.901 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.880 13.481 15.539 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.983 12.008 14.546 1.00 0.00 H new ATOM 731 N THR A 49 9.308 12.350 11.521 1.00 0.00 N ATOM 732 CA THR A 49 9.966 11.712 10.384 1.00 0.00 C ATOM 733 C THR A 49 9.197 11.929 9.081 1.00 0.00 C ATOM 734 O THR A 49 9.483 11.281 8.074 1.00 0.00 O ATOM 735 CB THR A 49 10.129 10.213 10.643 1.00 0.00 C ATOM 736 OG1 THR A 49 8.869 9.597 10.839 1.00 0.00 O ATOM 737 CG2 THR A 49 10.984 9.906 11.852 1.00 0.00 C ATOM 0 H THR A 49 8.347 12.047 11.679 1.00 0.00 H new ATOM 0 HA THR A 49 10.946 12.176 10.274 1.00 0.00 H new ATOM 0 HB THR A 49 10.626 9.819 9.757 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.377 10.074 11.540 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.059 8.826 11.980 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.980 10.325 11.709 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.530 10.345 12.740 1.00 0.00 H new ATOM 745 N LYS A 50 8.226 12.841 9.095 1.00 0.00 N ATOM 746 CA LYS A 50 7.439 13.121 7.894 1.00 0.00 C ATOM 747 C LYS A 50 6.918 11.826 7.276 1.00 0.00 C ATOM 748 O LYS A 50 6.838 11.701 6.053 1.00 0.00 O ATOM 749 CB LYS A 50 8.305 13.857 6.868 1.00 0.00 C ATOM 750 CG LYS A 50 8.614 15.299 7.234 1.00 0.00 C ATOM 751 CD LYS A 50 7.461 16.226 6.883 1.00 0.00 C ATOM 752 CE LYS A 50 7.175 16.211 5.389 1.00 0.00 C ATOM 753 NZ LYS A 50 8.406 16.451 4.586 1.00 0.00 N ATOM 0 H LYS A 50 7.967 13.393 9.913 1.00 0.00 H new ATOM 0 HA LYS A 50 6.590 13.744 8.177 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.243 13.316 6.746 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.799 13.839 5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.824 15.367 8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.514 15.623 6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.568 15.922 7.429 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.699 17.242 7.200 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.742 15.250 5.112 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.433 16.974 5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.142 16.685 3.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.941 17.241 4.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.995 15.594 4.590 1.00 0.00 H new ATOM 767 N THR A 51 6.587 10.856 8.123 1.00 0.00 N ATOM 768 CA THR A 51 6.102 9.569 7.641 1.00 0.00 C ATOM 769 C THR A 51 4.759 9.196 8.263 1.00 0.00 C ATOM 770 O THR A 51 4.503 9.470 9.436 1.00 0.00 O ATOM 771 CB THR A 51 7.137 8.480 7.945 1.00 0.00 C ATOM 772 OG1 THR A 51 8.367 8.768 7.307 1.00 0.00 O ATOM 773 CG2 THR A 51 6.708 7.097 7.506 1.00 0.00 C ATOM 0 H THR A 51 6.645 10.936 9.138 1.00 0.00 H new ATOM 0 HA THR A 51 5.955 9.651 6.564 1.00 0.00 H new ATOM 0 HB THR A 51 7.241 8.480 9.030 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.728 9.610 7.656 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.489 6.378 7.753 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.786 6.822 8.019 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.539 7.093 6.429 1.00 0.00 H new ATOM 781 N PHE A 52 3.916 8.550 7.464 1.00 0.00 N ATOM 782 CA PHE A 52 2.602 8.108 7.916 1.00 0.00 C ATOM 783 C PHE A 52 2.582 6.587 8.012 1.00 0.00 C ATOM 784 O PHE A 52 3.200 5.906 7.200 1.00 0.00 O ATOM 785 CB PHE A 52 1.513 8.564 6.938 1.00 0.00 C ATOM 786 CG PHE A 52 1.552 10.028 6.598 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.633 10.567 5.920 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.499 10.862 6.941 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.668 11.908 5.594 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.526 12.205 6.616 1.00 0.00 C ATOM 791 CZ PHE A 52 1.613 12.729 5.942 1.00 0.00 C ATOM 0 H PHE A 52 4.122 8.320 6.492 1.00 0.00 H new ATOM 0 HA PHE A 52 2.406 8.547 8.894 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.605 7.988 6.017 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.538 8.329 7.365 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.460 9.930 5.643 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.352 10.457 7.468 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.519 12.315 5.068 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.301 12.844 6.888 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.637 13.778 5.688 1.00 0.00 H new ATOM 801 N THR A 53 1.871 6.050 8.995 1.00 0.00 N ATOM 802 CA THR A 53 1.787 4.604 9.156 1.00 0.00 C ATOM 803 C THR A 53 0.348 4.111 9.109 1.00 0.00 C ATOM 804 O THR A 53 -0.505 4.550 9.881 1.00 0.00 O ATOM 805 CB THR A 53 2.458 4.151 10.454 1.00 0.00 C ATOM 806 OG1 THR A 53 2.186 5.056 11.508 1.00 0.00 O ATOM 807 CG2 THR A 53 3.960 3.998 10.333 1.00 0.00 C ATOM 0 H THR A 53 1.349 6.588 9.687 1.00 0.00 H new ATOM 0 HA THR A 53 2.321 4.162 8.315 1.00 0.00 H new ATOM 0 HB THR A 53 2.034 3.170 10.670 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.564 4.642 12.143 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.371 3.675 11.289 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.190 3.255 9.569 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.402 4.954 10.053 1.00 0.00 H new ATOM 815 N VAL A 54 0.100 3.176 8.199 1.00 0.00 N ATOM 816 CA VAL A 54 -1.218 2.582 8.037 1.00 0.00 C ATOM 817 C VAL A 54 -1.227 1.182 8.633 1.00 0.00 C ATOM 818 O VAL A 54 -0.542 0.286 8.139 1.00 0.00 O ATOM 819 CB VAL A 54 -1.627 2.506 6.553 1.00 0.00 C ATOM 820 CG1 VAL A 54 -3.022 1.918 6.404 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.548 3.882 5.906 1.00 0.00 C ATOM 0 H VAL A 54 0.804 2.811 7.557 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.936 3.216 8.557 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.928 1.846 6.040 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.288 1.875 5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.040 0.912 6.824 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.740 2.545 6.933 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.840 3.809 4.858 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.220 4.566 6.423 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.527 4.257 5.972 1.00 0.00 H new ATOM 831 N THR A 55 -1.982 0.999 9.711 1.00 0.00 N ATOM 832 CA THR A 55 -2.040 -0.298 10.370 1.00 0.00 C ATOM 833 C THR A 55 -3.383 -0.979 10.145 1.00 0.00 C ATOM 834 O THR A 55 -4.431 -0.458 10.524 1.00 0.00 O ATOM 835 CB THR A 55 -1.764 -0.149 11.866 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.724 0.786 12.090 1.00 0.00 O ATOM 837 CG2 THR A 55 -1.344 -1.449 12.517 1.00 0.00 C ATOM 0 H THR A 55 -2.556 1.724 10.142 1.00 0.00 H new ATOM 0 HA THR A 55 -1.268 -0.929 9.929 1.00 0.00 H new ATOM 0 HB THR A 55 -2.703 0.186 12.307 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.562 0.870 13.053 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.162 -1.282 13.579 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.136 -2.189 12.397 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.432 -1.814 12.045 1.00 0.00 H new ATOM 845 N GLU A 56 -3.341 -2.152 9.518 1.00 0.00 N ATOM 846 CA GLU A 56 -4.548 -2.917 9.233 1.00 0.00 C ATOM 847 C GLU A 56 -5.314 -3.228 10.516 1.00 0.00 C ATOM 848 O GLU A 56 -6.547 -3.023 10.531 1.00 0.00 O ATOM 849 CB GLU A 56 -4.188 -4.218 8.511 1.00 0.00 C ATOM 850 CG GLU A 56 -5.393 -5.080 8.167 1.00 0.00 C ATOM 851 CD GLU A 56 -5.003 -6.398 7.528 1.00 0.00 C ATOM 852 OE1 GLU A 56 -4.351 -6.371 6.463 1.00 0.00 O ATOM 853 OE2 GLU A 56 -5.351 -7.458 8.091 1.00 0.00 O ATOM 854 OXT GLU A 56 -4.676 -3.675 11.492 1.00 0.00 O ATOM 0 H GLU A 56 -2.479 -2.593 9.197 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.188 -2.314 8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.651 -3.977 7.594 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.507 -4.794 9.137 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.966 -5.275 9.073 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.046 -4.531 7.489 1.00 0.00 H new TER 861 GLU A 56 ATOM 862 N MET B 1 6.848 18.612 -2.763 1.00 0.00 N ATOM 863 CA MET B 1 7.196 17.994 -1.459 1.00 0.00 C ATOM 864 C MET B 1 6.806 16.519 -1.448 1.00 0.00 C ATOM 865 O MET B 1 5.701 16.159 -1.854 1.00 0.00 O ATOM 866 CB MET B 1 6.460 18.756 -0.354 1.00 0.00 C ATOM 867 CG MET B 1 7.051 18.562 1.033 1.00 0.00 C ATOM 868 SD MET B 1 6.366 19.721 2.232 1.00 0.00 S ATOM 869 CE MET B 1 7.295 19.287 3.698 1.00 0.00 C ATOM 0 H1 MET B 1 7.350 19.517 -2.863 1.00 0.00 H new ATOM 0 H2 MET B 1 7.128 17.974 -3.535 1.00 0.00 H new ATOM 0 H3 MET B 1 5.822 18.778 -2.806 1.00 0.00 H new ATOM 0 HA MET B 1 8.272 18.052 -1.293 1.00 0.00 H new ATOM 0 HB2 MET B 1 6.466 19.819 -0.594 1.00 0.00 H new ATOM 0 HB3 MET B 1 5.417 18.438 -0.341 1.00 0.00 H new ATOM 0 HG2 MET B 1 6.862 17.542 1.367 1.00 0.00 H new ATOM 0 HG3 MET B 1 8.133 18.687 0.986 1.00 0.00 H new ATOM 0 HE1 MET B 1 7.517 20.189 4.269 1.00 0.00 H new ATOM 0 HE2 MET B 1 6.708 18.604 4.312 1.00 0.00 H new ATOM 0 HE3 MET B 1 8.228 18.803 3.408 1.00 0.00 H new ATOM 881 N GLN B 2 7.719 15.669 -0.990 1.00 0.00 N ATOM 882 CA GLN B 2 7.464 14.235 -0.942 1.00 0.00 C ATOM 883 C GLN B 2 7.361 13.740 0.496 1.00 0.00 C ATOM 884 O GLN B 2 8.007 14.274 1.398 1.00 0.00 O ATOM 885 CB GLN B 2 8.569 13.473 -1.677 1.00 0.00 C ATOM 886 CG GLN B 2 8.368 11.964 -1.683 1.00 0.00 C ATOM 887 CD GLN B 2 9.467 11.204 -2.414 1.00 0.00 C ATOM 888 OE1 GLN B 2 9.426 9.975 -2.497 1.00 0.00 O ATOM 889 NE2 GLN B 2 10.456 11.918 -2.948 1.00 0.00 N ATOM 0 H GLN B 2 8.639 15.947 -0.648 1.00 0.00 H new ATOM 0 HA GLN B 2 6.510 14.050 -1.436 1.00 0.00 H new ATOM 0 HB2 GLN B 2 8.621 13.828 -2.706 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.528 13.702 -1.212 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.316 11.609 -0.654 1.00 0.00 H new ATOM 0 HG3 GLN B 2 7.409 11.736 -2.148 1.00 0.00 H new ATOM 0 HE21 GLN B 2 10.457 12.934 -2.859 1.00 0.00 H new ATOM 0 HE22 GLN B 2 11.213 11.449 -3.446 1.00 0.00 H new ATOM 898 N TYR B 3 6.546 12.711 0.699 1.00 0.00 N ATOM 899 CA TYR B 3 6.357 12.132 2.021 1.00 0.00 C ATOM 900 C TYR B 3 6.500 10.615 1.971 1.00 0.00 C ATOM 901 O TYR B 3 6.194 9.985 0.957 1.00 0.00 O ATOM 902 CB TYR B 3 4.983 12.510 2.576 1.00 0.00 C ATOM 903 CG TYR B 3 4.787 13.998 2.760 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.760 14.856 1.668 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.628 14.543 4.029 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.578 16.216 1.835 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.444 15.901 4.203 1.00 0.00 C ATOM 908 CZ TYR B 3 4.419 16.733 3.104 1.00 0.00 C ATOM 909 OH TYR B 3 4.235 18.087 3.276 1.00 0.00 O ATOM 0 H TYR B 3 6.005 12.260 -0.039 1.00 0.00 H new ATOM 0 HA TYR B 3 7.127 12.532 2.681 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.213 12.132 1.903 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.840 12.013 3.535 1.00 0.00 H new ATOM 0 HD1 TYR B 3 4.883 14.454 0.673 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.649 13.895 4.892 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.560 16.871 0.976 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.320 16.309 5.195 1.00 0.00 H new ATOM 0 HH TYR B 3 4.714 18.574 2.573 1.00 0.00 H new ATOM 919 N LYS B 4 6.966 10.035 3.072 1.00 0.00 N ATOM 920 CA LYS B 4 7.155 8.594 3.158 1.00 0.00 C ATOM 921 C LYS B 4 5.985 7.934 3.880 1.00 0.00 C ATOM 922 O LYS B 4 5.838 8.067 5.094 1.00 0.00 O ATOM 923 CB LYS B 4 8.462 8.275 3.890 1.00 0.00 C ATOM 924 CG LYS B 4 8.738 6.787 4.041 1.00 0.00 C ATOM 925 CD LYS B 4 9.003 6.122 2.700 1.00 0.00 C ATOM 926 CE LYS B 4 10.255 6.679 2.041 1.00 0.00 C ATOM 927 NZ LYS B 4 10.582 5.969 0.773 1.00 0.00 N ATOM 0 H LYS B 4 7.220 10.544 3.919 1.00 0.00 H new ATOM 0 HA LYS B 4 7.205 8.198 2.144 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.290 8.735 3.351 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.433 8.731 4.880 1.00 0.00 H new ATOM 0 HG2 LYS B 4 9.598 6.642 4.695 1.00 0.00 H new ATOM 0 HG3 LYS B 4 7.886 6.307 4.523 1.00 0.00 H new ATOM 0 HD2 LYS B 4 9.112 5.047 2.841 1.00 0.00 H new ATOM 0 HD3 LYS B 4 8.147 6.272 2.042 1.00 0.00 H new ATOM 0 HE2 LYS B 4 10.115 7.740 1.836 1.00 0.00 H new ATOM 0 HE3 LYS B 4 11.095 6.595 2.730 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 11.380 5.321 0.934 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 9.754 5.426 0.456 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 10.841 6.663 0.043 1.00 0.00 H new ATOM 941 N VAL B 5 5.160 7.210 3.132 1.00 0.00 N ATOM 942 CA VAL B 5 4.013 6.524 3.715 1.00 0.00 C ATOM 943 C VAL B 5 4.363 5.067 4.012 1.00 0.00 C ATOM 944 O VAL B 5 4.864 4.349 3.151 1.00 0.00 O ATOM 945 CB VAL B 5 2.778 6.584 2.792 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.586 5.895 3.440 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.439 8.028 2.443 1.00 0.00 C ATOM 0 H VAL B 5 5.263 7.083 2.125 1.00 0.00 H new ATOM 0 HA VAL B 5 3.764 7.038 4.644 1.00 0.00 H new ATOM 0 HB VAL B 5 3.016 6.055 1.869 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.727 5.949 2.772 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.830 4.850 3.633 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.346 6.391 4.380 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.565 8.049 1.791 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.224 8.582 3.357 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.285 8.487 1.931 1.00 0.00 H new ATOM 957 N ILE B 6 4.108 4.646 5.244 1.00 0.00 N ATOM 958 CA ILE B 6 4.405 3.285 5.673 1.00 0.00 C ATOM 959 C ILE B 6 3.125 2.473 5.866 1.00 0.00 C ATOM 960 O ILE B 6 2.209 2.899 6.567 1.00 0.00 O ATOM 961 CB ILE B 6 5.216 3.291 6.988 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.587 3.929 6.758 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.366 1.885 7.547 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.431 4.015 8.011 1.00 0.00 C ATOM 0 H ILE B 6 3.693 5.232 5.969 1.00 0.00 H new ATOM 0 HA ILE B 6 4.999 2.818 4.887 1.00 0.00 H new ATOM 0 HB ILE B 6 4.671 3.884 7.723 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.125 3.353 6.006 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.449 4.932 6.353 1.00 0.00 H new ATOM 0 HG21 ILE B 6 5.941 1.921 8.472 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.380 1.466 7.749 1.00 0.00 H new ATOM 0 HG23 ILE B 6 5.885 1.258 6.821 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.389 4.478 7.773 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.913 4.616 8.758 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.600 3.013 8.405 1.00 0.00 H new ATOM 976 N LEU B 7 3.069 1.306 5.232 1.00 0.00 N ATOM 977 CA LEU B 7 1.900 0.439 5.329 1.00 0.00 C ATOM 978 C LEU B 7 2.216 -0.781 6.196 1.00 0.00 C ATOM 979 O LEU B 7 2.773 -1.769 5.717 1.00 0.00 O ATOM 980 CB LEU B 7 1.463 0.005 3.926 1.00 0.00 C ATOM 981 CG LEU B 7 1.547 1.099 2.866 1.00 0.00 C ATOM 982 CD1 LEU B 7 1.082 0.570 1.519 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.729 2.309 3.292 1.00 0.00 C ATOM 0 H LEU B 7 3.819 0.939 4.646 1.00 0.00 H new ATOM 0 HA LEU B 7 1.084 0.988 5.798 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.082 -0.835 3.611 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.436 -0.356 3.976 1.00 0.00 H new ATOM 0 HG LEU B 7 2.586 1.411 2.763 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.148 1.363 0.774 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.715 -0.265 1.218 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.049 0.232 1.598 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.798 3.082 2.527 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.313 2.017 3.420 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.116 2.696 4.235 1.00 0.00 H new ATOM 995 N ASN B 8 1.871 -0.694 7.480 1.00 0.00 N ATOM 996 CA ASN B 8 2.134 -1.782 8.426 1.00 0.00 C ATOM 997 C ASN B 8 0.878 -2.587 8.742 1.00 0.00 C ATOM 998 O ASN B 8 -0.002 -2.118 9.454 1.00 0.00 O ATOM 999 CB ASN B 8 2.717 -1.225 9.730 1.00 0.00 C ATOM 1000 CG ASN B 8 4.125 -0.667 9.581 1.00 0.00 C ATOM 1001 OD1 ASN B 8 4.698 -0.767 8.387 1.00 0.00 O flip ATOM 1002 ND2 ASN B 8 4.697 -0.151 10.541 1.00 0.00 N flip ATOM 0 H ASN B 8 1.409 0.117 7.891 1.00 0.00 H new ATOM 0 HA ASN B 8 2.853 -2.449 7.950 1.00 0.00 H new ATOM 0 HB2 ASN B 8 2.062 -0.438 10.104 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.726 -2.016 10.480 1.00 0.00 H new ATOM 0 HD21 ASN B 8 4.226 -0.091 11.444 1.00 0.00 H new ATOM 0 HD22 ASN B 8 5.642 0.217 10.434 1.00 0.00 H new ATOM 1009 N GLY B 9 0.808 -3.811 8.229 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.342 -4.657 8.495 1.00 0.00 C ATOM 1011 C GLY B 9 0.017 -5.872 9.324 1.00 0.00 C ATOM 1012 O GLY B 9 1.124 -5.964 9.854 1.00 0.00 O ATOM 0 H GLY B 9 1.524 -4.231 7.636 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -1.104 -4.077 9.016 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.778 -4.981 7.550 1.00 0.00 H new ATOM 1016 N LYS B 10 -0.918 -6.806 9.433 1.00 0.00 N ATOM 1017 CA LYS B 10 -0.691 -8.024 10.199 1.00 0.00 C ATOM 1018 C LYS B 10 0.159 -9.008 9.402 1.00 0.00 C ATOM 1019 O LYS B 10 1.224 -9.431 9.849 1.00 0.00 O ATOM 1020 CB LYS B 10 -2.025 -8.672 10.576 1.00 0.00 C ATOM 1021 CG LYS B 10 -2.927 -7.773 11.404 1.00 0.00 C ATOM 1022 CD LYS B 10 -4.234 -8.464 11.755 1.00 0.00 C ATOM 1023 CE LYS B 10 -5.142 -7.559 12.575 1.00 0.00 C ATOM 1024 NZ LYS B 10 -4.509 -7.159 13.861 1.00 0.00 N ATOM 0 H LYS B 10 -1.840 -6.744 9.001 1.00 0.00 H new ATOM 0 HA LYS B 10 -0.156 -7.760 11.111 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.550 -8.959 9.665 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -1.829 -9.588 11.133 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -2.411 -7.482 12.319 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -3.136 -6.857 10.851 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -4.746 -8.762 10.840 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -4.026 -9.376 12.315 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -5.385 -6.668 11.997 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -6.081 -8.074 12.777 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -5.226 -6.734 14.483 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -4.103 -7.997 14.323 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -3.756 -6.466 13.676 1.00 0.00 H new ATOM 1038 N THR B 11 -0.325 -9.365 8.217 1.00 0.00 N ATOM 1039 CA THR B 11 0.369 -10.296 7.346 1.00 0.00 C ATOM 1040 C THR B 11 1.038 -9.572 6.186 1.00 0.00 C ATOM 1041 O THR B 11 1.603 -10.203 5.294 1.00 0.00 O ATOM 1042 CB THR B 11 -0.623 -11.321 6.805 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.846 -10.693 6.461 1.00 0.00 O ATOM 1044 CG2 THR B 11 -0.934 -12.434 7.778 1.00 0.00 C ATOM 0 H THR B 11 -1.206 -9.017 7.838 1.00 0.00 H new ATOM 0 HA THR B 11 1.144 -10.797 7.927 1.00 0.00 H new ATOM 0 HB THR B 11 -0.139 -11.758 5.931 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.595 -11.267 6.726 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.646 -13.125 7.325 1.00 0.00 H new ATOM 0 HG22 THR B 11 -0.017 -12.968 8.025 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.365 -12.013 8.687 1.00 0.00 H new ATOM 1052 N LEU B 12 0.968 -8.245 6.196 1.00 0.00 N ATOM 1053 CA LEU B 12 1.563 -7.452 5.135 1.00 0.00 C ATOM 1054 C LEU B 12 2.292 -6.238 5.698 1.00 0.00 C ATOM 1055 O LEU B 12 1.796 -5.558 6.595 1.00 0.00 O ATOM 1056 CB LEU B 12 0.488 -7.016 4.139 1.00 0.00 C ATOM 1057 CG LEU B 12 0.988 -6.170 2.975 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.175 -6.849 2.321 1.00 0.00 C ATOM 1059 CD2 LEU B 12 -0.124 -5.937 1.963 1.00 0.00 C ATOM 0 H LEU B 12 0.507 -7.701 6.925 1.00 0.00 H new ATOM 0 HA LEU B 12 2.296 -8.071 4.617 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.004 -7.907 3.738 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.275 -6.452 4.676 1.00 0.00 H new ATOM 0 HG LEU B 12 1.303 -5.198 3.355 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.529 -6.240 1.489 1.00 0.00 H new ATOM 0 HD12 LEU B 12 2.975 -6.966 3.052 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.875 -7.830 1.951 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.254 -5.331 1.140 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.472 -6.895 1.578 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.952 -5.418 2.445 1.00 0.00 H new ATOM 1071 N LYS B 13 3.474 -5.973 5.155 1.00 0.00 N ATOM 1072 CA LYS B 13 4.285 -4.840 5.589 1.00 0.00 C ATOM 1073 C LYS B 13 5.044 -4.244 4.409 1.00 0.00 C ATOM 1074 O LYS B 13 5.450 -4.966 3.500 1.00 0.00 O ATOM 1075 CB LYS B 13 5.266 -5.276 6.678 1.00 0.00 C ATOM 1076 CG LYS B 13 4.587 -5.825 7.922 1.00 0.00 C ATOM 1077 CD LYS B 13 5.603 -6.250 8.971 1.00 0.00 C ATOM 1078 CE LYS B 13 6.509 -7.355 8.453 1.00 0.00 C ATOM 1079 NZ LYS B 13 5.738 -8.568 8.063 1.00 0.00 N ATOM 0 H LYS B 13 3.894 -6.529 4.410 1.00 0.00 H new ATOM 0 HA LYS B 13 3.621 -4.078 5.997 1.00 0.00 H new ATOM 0 HB2 LYS B 13 5.932 -6.037 6.272 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.887 -4.425 6.958 1.00 0.00 H new ATOM 0 HG2 LYS B 13 3.925 -5.067 8.341 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.964 -6.677 7.651 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.206 -5.391 9.264 1.00 0.00 H new ATOM 0 HD3 LYS B 13 5.083 -6.594 9.865 1.00 0.00 H new ATOM 0 HE2 LYS B 13 7.071 -6.990 7.593 1.00 0.00 H new ATOM 0 HE3 LYS B 13 7.236 -7.618 9.221 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 6.393 -9.361 7.910 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 5.069 -8.812 8.821 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 5.213 -8.378 7.185 1.00 0.00 H new ATOM 1093 N GLY B 14 5.233 -2.929 4.422 1.00 0.00 N ATOM 1094 CA GLY B 14 5.945 -2.286 3.334 1.00 0.00 C ATOM 1095 C GLY B 14 6.067 -0.786 3.503 1.00 0.00 C ATOM 1096 O GLY B 14 5.773 -0.245 4.569 1.00 0.00 O ATOM 0 H GLY B 14 4.909 -2.302 5.159 1.00 0.00 H new ATOM 0 HA2 GLY B 14 6.943 -2.718 3.256 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.431 -2.499 2.397 1.00 0.00 H new ATOM 1100 N GLU B 15 6.504 -0.117 2.442 1.00 0.00 N ATOM 1101 CA GLU B 15 6.670 1.330 2.461 1.00 0.00 C ATOM 1102 C GLU B 15 6.296 1.931 1.110 1.00 0.00 C ATOM 1103 O GLU B 15 6.382 1.267 0.078 1.00 0.00 O ATOM 1104 CB GLU B 15 8.112 1.697 2.816 1.00 0.00 C ATOM 1105 CG GLU B 15 8.549 1.190 4.180 1.00 0.00 C ATOM 1106 CD GLU B 15 9.980 1.567 4.512 1.00 0.00 C ATOM 1107 OE1 GLU B 15 10.280 2.779 4.555 1.00 0.00 O ATOM 1108 OE2 GLU B 15 10.801 0.652 4.728 1.00 0.00 O ATOM 0 H GLU B 15 6.750 -0.556 1.555 1.00 0.00 H new ATOM 0 HA GLU B 15 6.005 1.740 3.221 1.00 0.00 H new ATOM 0 HB2 GLU B 15 8.779 1.291 2.056 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.220 2.781 2.789 1.00 0.00 H new ATOM 0 HG2 GLU B 15 7.884 1.594 4.944 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.447 0.105 4.210 1.00 0.00 H new ATOM 1115 N THR B 16 5.875 3.188 1.130 1.00 0.00 N ATOM 1116 CA THR B 16 5.478 3.887 -0.086 1.00 0.00 C ATOM 1117 C THR B 16 5.726 5.392 0.037 1.00 0.00 C ATOM 1118 O THR B 16 6.025 5.890 1.121 1.00 0.00 O ATOM 1119 CB THR B 16 4.005 3.600 -0.400 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.483 4.587 -1.254 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.119 3.530 0.823 1.00 0.00 C ATOM 0 H THR B 16 5.799 3.748 1.979 1.00 0.00 H new ATOM 0 HA THR B 16 6.089 3.519 -0.910 1.00 0.00 H new ATOM 0 HB THR B 16 4.001 2.618 -0.873 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.629 4.281 -1.624 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.093 3.324 0.518 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.469 2.734 1.481 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.155 4.481 1.354 1.00 0.00 H new ATOM 1129 N THR B 17 5.620 6.111 -1.084 1.00 0.00 N ATOM 1130 CA THR B 17 5.858 7.554 -1.086 1.00 0.00 C ATOM 1131 C THR B 17 4.922 8.308 -2.034 1.00 0.00 C ATOM 1132 O THR B 17 4.910 8.064 -3.240 1.00 0.00 O ATOM 1133 CB THR B 17 7.306 7.843 -1.479 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.593 7.311 -2.761 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.314 7.272 -0.507 1.00 0.00 C ATOM 0 H THR B 17 5.373 5.720 -1.993 1.00 0.00 H new ATOM 0 HA THR B 17 5.657 7.907 -0.074 1.00 0.00 H new ATOM 0 HB THR B 17 7.397 8.929 -1.474 1.00 0.00 H new ATOM 0 HG1 THR B 17 6.769 7.269 -3.290 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.322 7.513 -0.845 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.150 7.701 0.481 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.197 6.189 -0.456 1.00 0.00 H new ATOM 1143 N THR B 18 4.157 9.242 -1.471 1.00 0.00 N ATOM 1144 CA THR B 18 3.229 10.066 -2.248 1.00 0.00 C ATOM 1145 C THR B 18 3.765 11.495 -2.353 1.00 0.00 C ATOM 1146 O THR B 18 4.342 12.020 -1.401 1.00 0.00 O ATOM 1147 CB THR B 18 1.848 10.081 -1.588 1.00 0.00 C ATOM 1148 OG1 THR B 18 0.912 10.743 -2.416 1.00 0.00 O ATOM 1149 CG2 THR B 18 1.833 10.767 -0.239 1.00 0.00 C ATOM 0 H THR B 18 4.161 9.449 -0.472 1.00 0.00 H new ATOM 0 HA THR B 18 3.137 9.640 -3.247 1.00 0.00 H new ATOM 0 HB THR B 18 1.583 9.034 -1.444 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.174 10.639 -3.354 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.823 10.741 0.171 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.513 10.252 0.439 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.151 11.803 -0.354 1.00 0.00 H new ATOM 1157 N GLU B 19 3.569 12.123 -3.507 1.00 0.00 N ATOM 1158 CA GLU B 19 4.031 13.491 -3.721 1.00 0.00 C ATOM 1159 C GLU B 19 2.863 14.464 -3.631 1.00 0.00 C ATOM 1160 O GLU B 19 1.942 14.412 -4.447 1.00 0.00 O ATOM 1161 CB GLU B 19 4.708 13.614 -5.090 1.00 0.00 C ATOM 1162 CG GLU B 19 5.227 15.012 -5.392 1.00 0.00 C ATOM 1163 CD GLU B 19 6.321 15.449 -4.439 1.00 0.00 C ATOM 1164 OE1 GLU B 19 6.701 14.647 -3.561 1.00 0.00 O ATOM 1165 OE2 GLU B 19 6.802 16.595 -4.572 1.00 0.00 O ATOM 0 H GLU B 19 3.094 11.708 -4.308 1.00 0.00 H new ATOM 0 HA GLU B 19 4.755 13.737 -2.945 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.538 12.909 -5.140 1.00 0.00 H new ATOM 0 HB3 GLU B 19 3.997 13.325 -5.864 1.00 0.00 H new ATOM 0 HG2 GLU B 19 5.607 15.041 -6.413 1.00 0.00 H new ATOM 0 HG3 GLU B 19 4.401 15.721 -5.340 1.00 0.00 H new ATOM 1172 N ALA B 20 2.891 15.351 -2.637 1.00 0.00 N ATOM 1173 CA ALA B 20 1.814 16.316 -2.462 1.00 0.00 C ATOM 1174 C ALA B 20 2.313 17.629 -1.858 1.00 0.00 C ATOM 1175 O ALA B 20 3.305 17.659 -1.129 1.00 0.00 O ATOM 1176 CB ALA B 20 0.715 15.721 -1.594 1.00 0.00 C ATOM 0 H ALA B 20 3.641 15.419 -1.949 1.00 0.00 H new ATOM 0 HA ALA B 20 1.413 16.544 -3.450 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -0.085 16.450 -1.469 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.318 14.825 -2.072 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.124 15.460 -0.618 1.00 0.00 H new ATOM 1182 N VAL B 21 1.621 18.712 -2.195 1.00 0.00 N ATOM 1183 CA VAL B 21 1.982 20.047 -1.724 1.00 0.00 C ATOM 1184 C VAL B 21 2.178 20.086 -0.206 1.00 0.00 C ATOM 1185 O VAL B 21 2.918 20.923 0.309 1.00 0.00 O ATOM 1186 CB VAL B 21 0.904 21.076 -2.113 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.350 22.486 -1.756 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.574 20.967 -3.593 1.00 0.00 C ATOM 0 H VAL B 21 0.799 18.692 -2.798 1.00 0.00 H new ATOM 0 HA VAL B 21 2.927 20.301 -2.204 1.00 0.00 H new ATOM 0 HB VAL B 21 -0.001 20.858 -1.546 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.573 23.196 -2.040 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.526 22.551 -0.682 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.270 22.723 -2.290 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -0.189 21.701 -3.851 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.472 21.156 -4.181 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.202 19.966 -3.810 1.00 0.00 H new ATOM 1198 N ASP B 22 1.529 19.169 0.502 1.00 0.00 N ATOM 1199 CA ASP B 22 1.663 19.108 1.958 1.00 0.00 C ATOM 1200 C ASP B 22 1.289 17.731 2.496 1.00 0.00 C ATOM 1201 O ASP B 22 0.866 16.853 1.743 1.00 0.00 O ATOM 1202 CB ASP B 22 0.817 20.194 2.631 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.669 20.008 2.409 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -1.053 19.001 1.783 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.450 20.869 2.866 1.00 0.00 O ATOM 0 H ASP B 22 0.911 18.464 0.100 1.00 0.00 H new ATOM 0 HA ASP B 22 2.711 19.288 2.197 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.022 20.195 3.702 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.117 21.170 2.248 1.00 0.00 H new ATOM 1210 N ALA B 23 1.462 17.544 3.801 1.00 0.00 N ATOM 1211 CA ALA B 23 1.156 16.270 4.441 1.00 0.00 C ATOM 1212 C ALA B 23 -0.290 15.858 4.217 1.00 0.00 C ATOM 1213 O ALA B 23 -0.572 14.697 3.928 1.00 0.00 O ATOM 1214 CB ALA B 23 1.469 16.340 5.930 1.00 0.00 C ATOM 0 H ALA B 23 1.813 18.260 4.437 1.00 0.00 H new ATOM 0 HA ALA B 23 1.785 15.508 3.981 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.236 15.383 6.396 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.527 16.564 6.069 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.868 17.124 6.392 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.203 16.811 4.341 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.615 16.524 4.138 1.00 0.00 C ATOM 1222 C ALA B 24 -2.850 16.060 2.711 1.00 0.00 C ATOM 1223 O ALA B 24 -3.360 14.965 2.484 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.465 17.744 4.458 1.00 0.00 C ATOM 0 H ALA B 24 -0.994 17.781 4.579 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.911 15.725 4.817 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.517 17.506 4.299 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.311 18.032 5.498 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.177 18.569 3.807 1.00 0.00 H new ATOM 1230 N THR B 25 -2.442 16.883 1.747 1.00 0.00 N ATOM 1231 CA THR B 25 -2.582 16.531 0.346 1.00 0.00 C ATOM 1232 C THR B 25 -2.000 15.146 0.119 1.00 0.00 C ATOM 1233 O THR B 25 -2.621 14.295 -0.516 1.00 0.00 O ATOM 1234 CB THR B 25 -1.870 17.560 -0.533 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.513 17.685 -0.157 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.494 18.936 -0.476 1.00 0.00 C ATOM 0 H THR B 25 -2.014 17.794 1.915 1.00 0.00 H new ATOM 0 HA THR B 25 -3.638 16.527 0.077 1.00 0.00 H new ATOM 0 HB THR B 25 -1.965 17.183 -1.551 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.444 17.696 0.821 1.00 0.00 H new ATOM 0 HG21 THR B 25 -1.938 19.615 -1.123 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.529 18.880 -0.812 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.465 19.307 0.549 1.00 0.00 H new ATOM 1244 N ALA B 26 -0.812 14.918 0.676 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.166 13.622 0.568 1.00 0.00 C ATOM 1246 C ALA B 26 -1.065 12.566 1.189 1.00 0.00 C ATOM 1247 O ALA B 26 -1.390 11.559 0.556 1.00 0.00 O ATOM 1248 CB ALA B 26 1.194 13.641 1.251 1.00 0.00 C ATOM 0 H ALA B 26 -0.284 15.613 1.203 1.00 0.00 H new ATOM 0 HA ALA B 26 -0.005 13.385 -0.484 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.661 12.661 1.159 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.828 14.391 0.778 1.00 0.00 H new ATOM 0 HB3 ALA B 26 1.068 13.885 2.306 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.477 12.811 2.431 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.357 11.899 3.144 1.00 0.00 C ATOM 1256 C GLU B 27 -3.597 11.585 2.315 1.00 0.00 C ATOM 1257 O GLU B 27 -3.957 10.424 2.136 1.00 0.00 O ATOM 1258 CB GLU B 27 -2.768 12.507 4.486 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.684 11.615 5.307 1.00 0.00 C ATOM 1260 CD GLU B 27 -4.074 12.244 6.631 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -4.683 13.335 6.615 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -3.771 11.646 7.686 1.00 0.00 O ATOM 0 H GLU B 27 -1.212 13.639 2.964 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.816 10.970 3.322 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -1.871 12.724 5.066 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.268 13.458 4.306 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.584 11.398 4.733 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -3.187 10.663 5.493 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.240 12.633 1.800 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.436 12.469 0.982 1.00 0.00 C ATOM 1271 C LYS B 28 -5.133 11.626 -0.247 1.00 0.00 C ATOM 1272 O LYS B 28 -5.905 10.738 -0.611 1.00 0.00 O ATOM 1273 CB LYS B 28 -5.986 13.832 0.557 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.409 14.703 1.728 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.425 13.990 2.604 1.00 0.00 C ATOM 1276 CE LYS B 28 -7.861 14.858 3.773 1.00 0.00 C ATOM 1277 NZ LYS B 28 -8.860 14.168 4.636 1.00 0.00 N ATOM 0 H LYS B 28 -3.951 13.602 1.936 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.189 11.957 1.581 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.227 14.358 -0.022 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.841 13.681 -0.102 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.534 14.968 2.322 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.836 15.635 1.356 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.295 13.719 2.006 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -6.995 13.062 2.980 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -6.990 15.127 4.370 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.288 15.787 3.396 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.131 14.794 5.421 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -9.702 13.934 4.073 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -8.445 13.294 5.017 1.00 0.00 H new ATOM 1291 N VAL B 29 -3.995 11.898 -0.874 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.581 11.151 -2.052 1.00 0.00 C ATOM 1293 C VAL B 29 -3.519 9.667 -1.735 1.00 0.00 C ATOM 1294 O VAL B 29 -3.908 8.828 -2.547 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.207 11.628 -2.565 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -1.745 10.780 -3.739 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.261 13.099 -2.953 1.00 0.00 C ATOM 0 H VAL B 29 -3.345 12.629 -0.586 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.319 11.327 -2.834 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.484 11.513 -1.758 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.774 11.135 -4.084 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.661 9.739 -3.425 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.469 10.857 -4.550 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.282 13.417 -3.312 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -3.000 13.240 -3.741 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.539 13.695 -2.084 1.00 0.00 H new ATOM 1307 N VAL B 30 -3.047 9.353 -0.538 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.956 7.973 -0.101 1.00 0.00 C ATOM 1309 C VAL B 30 -4.357 7.379 0.022 1.00 0.00 C ATOM 1310 O VAL B 30 -4.627 6.296 -0.494 1.00 0.00 O ATOM 1311 CB VAL B 30 -2.226 7.860 1.248 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -2.023 6.401 1.624 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.895 8.598 1.200 1.00 0.00 C ATOM 0 H VAL B 30 -2.722 10.036 0.146 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.383 7.419 -0.845 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.844 8.326 2.015 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.505 6.341 2.581 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.992 5.908 1.704 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.427 5.907 0.857 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.393 8.507 2.163 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.267 8.165 0.421 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -1.071 9.651 0.981 1.00 0.00 H new ATOM 1323 N LYS B 31 -5.258 8.105 0.690 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.637 7.643 0.844 1.00 0.00 C ATOM 1325 C LYS B 31 -7.214 7.234 -0.503 1.00 0.00 C ATOM 1326 O LYS B 31 -7.840 6.182 -0.628 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.521 8.714 1.490 1.00 0.00 C ATOM 1328 CG LYS B 31 -7.392 8.794 3.004 1.00 0.00 C ATOM 1329 CD LYS B 31 -5.995 9.206 3.431 1.00 0.00 C ATOM 1330 CE LYS B 31 -5.838 9.149 4.942 1.00 0.00 C ATOM 1331 NZ LYS B 31 -6.771 10.078 5.636 1.00 0.00 N ATOM 0 H LYS B 31 -5.059 9.005 1.128 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.621 6.776 1.505 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.269 9.685 1.063 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.562 8.514 1.235 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -8.117 9.509 3.393 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -7.634 7.825 3.441 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -5.261 8.550 2.962 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -5.789 10.217 3.080 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -6.018 8.131 5.287 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -4.811 9.400 5.209 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -6.540 10.109 6.650 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -6.678 11.031 5.230 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -7.748 9.744 5.514 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.980 8.062 -1.515 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.461 7.767 -2.857 1.00 0.00 C ATOM 1347 C GLN B 32 -6.739 6.538 -3.395 1.00 0.00 C ATOM 1348 O GLN B 32 -7.334 5.682 -4.050 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.232 8.963 -3.785 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.776 8.760 -5.191 1.00 0.00 C ATOM 1351 CD GLN B 32 -9.295 8.632 -5.252 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -9.981 8.877 -4.136 1.00 0.00 O flip ATOM 1353 NE2 GLN B 32 -9.851 8.330 -6.308 1.00 0.00 N flip ATOM 0 H GLN B 32 -6.463 8.937 -1.432 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.532 7.568 -2.815 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.700 9.845 -3.348 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.163 9.166 -3.845 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.466 9.599 -5.815 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.328 7.863 -5.618 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -9.295 8.149 -7.144 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -10.868 8.261 -6.347 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.447 6.462 -3.095 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.611 5.346 -3.520 1.00 0.00 C ATOM 1364 C PHE B 33 -5.234 4.016 -3.091 1.00 0.00 C ATOM 1365 O PHE B 33 -5.549 3.163 -3.919 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.212 5.509 -2.907 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.195 4.527 -3.410 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.651 4.670 -4.675 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.777 3.465 -2.617 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.711 3.772 -5.141 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.836 2.567 -3.084 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.305 2.723 -4.350 1.00 0.00 C ATOM 0 H PHE B 33 -4.952 7.170 -2.552 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.533 5.343 -4.607 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.855 6.519 -3.110 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.290 5.410 -1.824 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -1.964 5.491 -5.303 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -2.191 3.340 -1.627 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.294 3.894 -6.130 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.516 1.745 -2.461 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.429 2.021 -4.718 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.414 3.866 -1.784 1.00 0.00 N ATOM 1383 CA PHE B 34 -6.003 2.652 -1.218 1.00 0.00 C ATOM 1384 C PHE B 34 -7.490 2.565 -1.529 1.00 0.00 C ATOM 1385 O PHE B 34 -8.002 1.491 -1.848 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.726 2.596 0.279 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.254 2.553 0.551 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.453 1.640 -0.116 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.664 3.437 1.435 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -2.093 1.610 0.091 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.300 3.405 1.652 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.517 2.492 0.977 1.00 0.00 C ATOM 0 H PHE B 34 -5.160 4.571 -1.092 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.538 1.782 -1.681 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.164 3.467 0.766 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.205 1.716 0.708 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.902 0.943 -0.808 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.274 4.158 1.960 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.480 0.897 -0.440 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -1.847 4.094 2.349 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.450 2.469 1.144 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.175 3.698 -1.473 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.599 3.742 -1.792 1.00 0.00 C ATOM 1404 C ASN B 35 -9.851 3.068 -3.140 1.00 0.00 C ATOM 1405 O ASN B 35 -10.854 2.381 -3.336 1.00 0.00 O ATOM 1406 CB ASN B 35 -10.072 5.198 -1.854 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.510 5.334 -2.317 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.900 4.787 -3.347 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -12.297 6.090 -1.569 1.00 0.00 N ATOM 0 H ASN B 35 -7.772 4.597 -1.211 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.152 3.214 -1.016 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.969 5.650 -0.867 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.424 5.756 -2.530 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -13.269 6.238 -1.839 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.931 6.525 -0.722 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.926 3.298 -4.066 1.00 0.00 N ATOM 1417 CA ASP B 36 -9.020 2.746 -5.416 1.00 0.00 C ATOM 1418 C ASP B 36 -8.264 1.425 -5.571 1.00 0.00 C ATOM 1419 O ASP B 36 -8.614 0.611 -6.426 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.509 3.763 -6.438 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.329 5.040 -6.440 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -9.414 5.694 -5.380 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -9.886 5.385 -7.504 1.00 0.00 O ATOM 0 H ASP B 36 -8.095 3.868 -3.906 1.00 0.00 H new ATOM 0 HA ASP B 36 -10.074 2.535 -5.598 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.468 4.003 -6.220 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.532 3.318 -7.433 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.241 1.195 -4.748 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.488 -0.056 -4.832 1.00 0.00 C ATOM 1430 C ASN B 37 -7.263 -1.167 -4.144 1.00 0.00 C ATOM 1431 O ASN B 37 -7.395 -2.270 -4.673 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.101 0.074 -4.190 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.195 1.043 -4.924 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -3.441 1.836 -4.171 1.00 0.00 O flip ATOM 1435 ND2 ASN B 37 -4.151 1.058 -6.155 1.00 0.00 N flip ATOM 0 H ASN B 37 -6.919 1.844 -4.030 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.351 -0.293 -5.887 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.215 0.403 -3.157 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.627 -0.907 -4.161 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -4.748 0.431 -6.694 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.517 1.697 -6.635 1.00 0.00 H new ATOM 1442 N GLY B 38 -7.776 -0.835 -2.959 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.559 -1.751 -2.144 1.00 0.00 C ATOM 1444 C GLY B 38 -8.843 -3.107 -2.764 1.00 0.00 C ATOM 1445 O GLY B 38 -7.937 -3.914 -2.972 1.00 0.00 O ATOM 0 H GLY B 38 -7.656 0.086 -2.538 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.036 -1.906 -1.200 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.510 -1.274 -1.907 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.125 -3.383 -2.978 1.00 0.00 N ATOM 1450 CA VAL B 39 -10.563 -4.680 -3.486 1.00 0.00 C ATOM 1451 C VAL B 39 -10.498 -4.845 -5.005 1.00 0.00 C ATOM 1452 O VAL B 39 -9.902 -5.807 -5.492 1.00 0.00 O ATOM 1453 CB VAL B 39 -11.994 -4.984 -3.004 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -12.521 -6.277 -3.616 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -12.032 -5.060 -1.487 1.00 0.00 C ATOM 0 H VAL B 39 -10.883 -2.723 -2.807 1.00 0.00 H new ATOM 0 HA VAL B 39 -9.846 -5.393 -3.079 1.00 0.00 H new ATOM 0 HB VAL B 39 -12.641 -4.171 -3.333 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -13.533 -6.464 -3.256 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.533 -6.187 -4.702 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -11.875 -7.106 -3.328 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -13.049 -5.275 -1.159 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -11.365 -5.852 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -11.709 -4.107 -1.067 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.140 -3.964 -5.758 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.169 -4.102 -7.216 1.00 0.00 C ATOM 1467 C ASP B 40 -10.036 -3.358 -7.918 1.00 0.00 C ATOM 1468 O ASP B 40 -10.179 -2.963 -9.075 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.513 -3.615 -7.760 1.00 0.00 C ATOM 1470 CG ASP B 40 -13.682 -4.403 -7.203 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -13.723 -5.632 -7.416 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -14.556 -3.790 -6.555 1.00 0.00 O ATOM 0 H ASP B 40 -11.643 -3.154 -5.395 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.032 -5.162 -7.428 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.640 -2.560 -7.516 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -12.511 -3.692 -8.847 1.00 0.00 H new ATOM 1477 N GLY B 41 -8.916 -3.172 -7.236 1.00 0.00 N ATOM 1478 CA GLY B 41 -7.797 -2.481 -7.851 1.00 0.00 C ATOM 1479 C GLY B 41 -7.210 -3.256 -9.020 1.00 0.00 C ATOM 1480 O GLY B 41 -7.146 -4.484 -8.987 1.00 0.00 O ATOM 0 H GLY B 41 -8.760 -3.483 -6.277 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.124 -1.500 -8.196 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.022 -2.313 -7.104 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.769 -2.537 -10.049 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.173 -3.166 -11.226 1.00 0.00 C ATOM 1486 C GLU B 42 -4.773 -3.671 -10.895 1.00 0.00 C ATOM 1487 O GLU B 42 -3.796 -2.928 -10.998 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.110 -2.176 -12.391 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.473 -1.671 -12.839 1.00 0.00 C ATOM 1490 CD GLU B 42 -8.362 -2.778 -13.376 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -7.907 -3.940 -13.421 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -9.514 -2.479 -13.755 1.00 0.00 O ATOM 0 H GLU B 42 -6.813 -1.519 -10.092 1.00 0.00 H new ATOM 0 HA GLU B 42 -6.797 -4.010 -11.521 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.495 -1.325 -12.100 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.614 -2.654 -13.236 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -7.970 -1.187 -11.999 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -7.339 -0.912 -13.610 1.00 0.00 H new ATOM 1499 N TRP B 43 -4.685 -4.928 -10.470 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.404 -5.514 -10.091 1.00 0.00 C ATOM 1501 C TRP B 43 -2.887 -6.502 -11.132 1.00 0.00 C ATOM 1502 O TRP B 43 -3.609 -7.401 -11.565 1.00 0.00 O ATOM 1503 CB TRP B 43 -3.524 -6.259 -8.764 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.073 -5.456 -7.625 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -4.671 -4.227 -7.669 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.073 -5.849 -6.253 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -5.048 -3.842 -6.404 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -4.689 -4.823 -5.519 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.610 -6.979 -5.579 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -4.854 -4.893 -4.141 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.772 -7.048 -4.213 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.391 -6.011 -3.505 1.00 0.00 C ATOM 0 H TRP B 43 -5.482 -5.558 -10.380 1.00 0.00 H new ATOM 0 HA TRP B 43 -2.704 -4.683 -10.008 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -4.161 -7.131 -8.912 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -2.538 -6.629 -8.484 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -4.825 -3.645 -8.565 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -5.518 -2.969 -6.164 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -3.134 -7.785 -6.118 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.330 -4.094 -3.593 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -3.416 -7.917 -3.679 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.505 -6.096 -2.434 1.00 0.00 H new ATOM 1523 N THR B 44 -1.617 -6.356 -11.492 1.00 0.00 N ATOM 1524 CA THR B 44 -0.973 -7.261 -12.438 1.00 0.00 C ATOM 1525 C THR B 44 0.094 -8.070 -11.704 1.00 0.00 C ATOM 1526 O THR B 44 0.769 -7.549 -10.816 1.00 0.00 O ATOM 1527 CB THR B 44 -0.354 -6.481 -13.599 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.586 -5.534 -13.127 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.374 -5.739 -14.433 1.00 0.00 C ATOM 0 H THR B 44 -1.010 -5.615 -11.141 1.00 0.00 H new ATOM 0 HA THR B 44 -1.719 -7.938 -12.855 1.00 0.00 H new ATOM 0 HB THR B 44 0.126 -7.233 -14.225 1.00 0.00 H new ATOM 0 HG1 THR B 44 1.287 -5.994 -12.619 1.00 0.00 H new ATOM 0 HG21 THR B 44 -0.868 -5.207 -15.239 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.084 -6.450 -14.857 1.00 0.00 H new ATOM 0 HG23 THR B 44 -1.907 -5.025 -13.805 1.00 0.00 H new ATOM 1537 N TYR B 45 0.232 -9.345 -12.050 1.00 0.00 N ATOM 1538 CA TYR B 45 1.208 -10.205 -11.385 1.00 0.00 C ATOM 1539 C TYR B 45 2.356 -10.582 -12.319 1.00 0.00 C ATOM 1540 O TYR B 45 2.149 -10.823 -13.508 1.00 0.00 O ATOM 1541 CB TYR B 45 0.520 -11.467 -10.858 1.00 0.00 C ATOM 1542 CG TYR B 45 1.400 -12.335 -9.982 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.375 -11.776 -9.164 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.248 -13.715 -9.970 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.174 -12.569 -8.362 1.00 0.00 C ATOM 1546 CE2 TYR B 45 2.043 -14.515 -9.170 1.00 0.00 C ATOM 1547 CZ TYR B 45 3.004 -13.936 -8.368 1.00 0.00 C ATOM 1548 OH TYR B 45 3.797 -14.728 -7.571 1.00 0.00 O ATOM 0 H TYR B 45 -0.313 -9.804 -12.780 1.00 0.00 H new ATOM 0 HA TYR B 45 1.631 -9.647 -10.550 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.364 -11.175 -10.290 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.173 -12.059 -11.705 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.510 -10.705 -9.155 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.496 -14.172 -10.596 1.00 0.00 H new ATOM 0 HE1 TYR B 45 3.928 -12.119 -7.733 1.00 0.00 H new ATOM 0 HE2 TYR B 45 1.912 -15.587 -9.173 1.00 0.00 H new ATOM 0 HH TYR B 45 3.548 -15.668 -7.693 1.00 0.00 H new ATOM 1558 N ASP B 46 3.566 -10.636 -11.765 1.00 0.00 N ATOM 1559 CA ASP B 46 4.752 -10.990 -12.538 1.00 0.00 C ATOM 1560 C ASP B 46 5.461 -12.190 -11.917 1.00 0.00 C ATOM 1561 O ASP B 46 6.416 -12.033 -11.156 1.00 0.00 O ATOM 1562 CB ASP B 46 5.709 -9.799 -12.618 1.00 0.00 C ATOM 1563 CG ASP B 46 6.951 -10.104 -13.432 1.00 0.00 C ATOM 1564 OD1 ASP B 46 7.693 -11.035 -13.056 1.00 0.00 O ATOM 1565 OD2 ASP B 46 7.183 -9.411 -14.445 1.00 0.00 O ATOM 0 H ASP B 46 3.750 -10.438 -10.781 1.00 0.00 H new ATOM 0 HA ASP B 46 4.436 -11.257 -13.546 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.189 -8.949 -13.060 1.00 0.00 H new ATOM 0 HB3 ASP B 46 6.002 -9.505 -11.610 1.00 0.00 H new ATOM 1570 N ASP B 47 4.985 -13.391 -12.241 1.00 0.00 N ATOM 1571 CA ASP B 47 5.569 -14.622 -11.708 1.00 0.00 C ATOM 1572 C ASP B 47 7.090 -14.620 -11.847 1.00 0.00 C ATOM 1573 O ASP B 47 7.804 -15.119 -10.977 1.00 0.00 O ATOM 1574 CB ASP B 47 4.991 -15.839 -12.433 1.00 0.00 C ATOM 1575 CG ASP B 47 3.479 -15.912 -12.335 1.00 0.00 C ATOM 1576 OD1 ASP B 47 2.879 -15.000 -11.727 1.00 0.00 O ATOM 1577 OD2 ASP B 47 2.896 -16.878 -12.869 1.00 0.00 O ATOM 0 H ASP B 47 4.196 -13.539 -12.870 1.00 0.00 H new ATOM 0 HA ASP B 47 5.319 -14.676 -10.648 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.282 -15.804 -13.483 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.423 -16.747 -12.012 1.00 0.00 H new ATOM 1582 N ALA B 48 7.574 -14.066 -12.953 1.00 0.00 N ATOM 1583 CA ALA B 48 9.008 -14.007 -13.221 1.00 0.00 C ATOM 1584 C ALA B 48 9.788 -13.436 -12.039 1.00 0.00 C ATOM 1585 O ALA B 48 10.936 -13.809 -11.809 1.00 0.00 O ATOM 1586 CB ALA B 48 9.272 -13.184 -14.473 1.00 0.00 C ATOM 0 H ALA B 48 6.993 -13.650 -13.681 1.00 0.00 H new ATOM 0 HA ALA B 48 9.356 -15.028 -13.378 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.344 -13.146 -14.664 1.00 0.00 H new ATOM 0 HB2 ALA B 48 8.768 -13.643 -15.323 1.00 0.00 H new ATOM 0 HB3 ALA B 48 8.893 -12.172 -14.330 1.00 0.00 H new ATOM 1592 N THR B 49 9.166 -12.521 -11.301 1.00 0.00 N ATOM 1593 CA THR B 49 9.824 -11.900 -10.155 1.00 0.00 C ATOM 1594 C THR B 49 9.032 -12.098 -8.863 1.00 0.00 C ATOM 1595 O THR B 49 9.318 -11.457 -7.852 1.00 0.00 O ATOM 1596 CB THR B 49 10.028 -10.406 -10.411 1.00 0.00 C ATOM 1597 OG1 THR B 49 8.785 -9.760 -10.625 1.00 0.00 O ATOM 1598 CG2 THR B 49 10.907 -10.119 -11.608 1.00 0.00 C ATOM 0 H THR B 49 8.215 -12.195 -11.474 1.00 0.00 H new ATOM 0 HA THR B 49 10.791 -12.388 -10.031 1.00 0.00 H new ATOM 0 HB THR B 49 10.523 -10.024 -9.518 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.299 -10.215 -11.344 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.011 -9.041 -11.733 1.00 0.00 H new ATOM 0 HG22 THR B 49 11.890 -10.562 -11.452 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.454 -10.546 -12.503 1.00 0.00 H new ATOM 1606 N LYS B 50 8.039 -12.986 -8.891 1.00 0.00 N ATOM 1607 CA LYS B 50 7.230 -13.246 -7.701 1.00 0.00 C ATOM 1608 C LYS B 50 6.731 -11.940 -7.091 1.00 0.00 C ATOM 1609 O LYS B 50 6.637 -11.812 -5.870 1.00 0.00 O ATOM 1610 CB LYS B 50 8.062 -14.004 -6.663 1.00 0.00 C ATOM 1611 CG LYS B 50 8.340 -15.452 -7.025 1.00 0.00 C ATOM 1612 CD LYS B 50 7.162 -16.351 -6.690 1.00 0.00 C ATOM 1613 CE LYS B 50 6.855 -16.328 -5.200 1.00 0.00 C ATOM 1614 NZ LYS B 50 8.069 -16.599 -4.380 1.00 0.00 N ATOM 0 H LYS B 50 7.778 -13.531 -9.713 1.00 0.00 H new ATOM 0 HA LYS B 50 6.370 -13.848 -7.996 1.00 0.00 H new ATOM 0 HB2 LYS B 50 9.012 -13.487 -6.527 1.00 0.00 H new ATOM 0 HB3 LYS B 50 7.542 -13.974 -5.705 1.00 0.00 H new ATOM 0 HG2 LYS B 50 8.562 -15.525 -8.090 1.00 0.00 H new ATOM 0 HG3 LYS B 50 9.225 -15.797 -6.490 1.00 0.00 H new ATOM 0 HD2 LYS B 50 6.284 -16.027 -7.249 1.00 0.00 H new ATOM 0 HD3 LYS B 50 7.381 -17.372 -7.003 1.00 0.00 H new ATOM 0 HE2 LYS B 50 6.443 -15.356 -4.929 1.00 0.00 H new ATOM 0 HE3 LYS B 50 6.091 -17.072 -4.975 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 7.791 -16.760 -3.391 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 8.553 -17.444 -4.745 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 8.712 -15.783 -4.431 1.00 0.00 H new ATOM 1628 N THR B 51 6.435 -10.962 -7.942 1.00 0.00 N ATOM 1629 CA THR B 51 5.976 -9.662 -7.468 1.00 0.00 C ATOM 1630 C THR B 51 4.652 -9.258 -8.107 1.00 0.00 C ATOM 1631 O THR B 51 4.405 -9.526 -9.284 1.00 0.00 O ATOM 1632 CB THR B 51 7.040 -8.599 -7.755 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.255 -8.918 -7.100 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.639 -7.206 -7.321 1.00 0.00 C ATOM 0 H THR B 51 6.504 -11.044 -8.956 1.00 0.00 H new ATOM 0 HA THR B 51 5.813 -9.740 -6.393 1.00 0.00 H new ATOM 0 HB THR B 51 7.158 -8.600 -8.839 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.591 -9.776 -7.433 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.441 -6.507 -7.556 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.732 -6.908 -7.847 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.454 -7.199 -6.247 1.00 0.00 H new ATOM 1642 N PHE B 52 3.811 -8.592 -7.320 1.00 0.00 N ATOM 1643 CA PHE B 52 2.517 -8.118 -7.790 1.00 0.00 C ATOM 1644 C PHE B 52 2.533 -6.597 -7.887 1.00 0.00 C ATOM 1645 O PHE B 52 3.157 -5.931 -7.065 1.00 0.00 O ATOM 1646 CB PHE B 52 1.402 -8.546 -6.829 1.00 0.00 C ATOM 1647 CG PHE B 52 1.401 -10.010 -6.488 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.460 -10.575 -5.794 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.333 -10.819 -6.846 1.00 0.00 C ATOM 1650 CE1 PHE B 52 2.455 -11.918 -5.468 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.323 -12.162 -6.521 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.386 -12.712 -5.832 1.00 0.00 C ATOM 0 H PHE B 52 4.008 -8.368 -6.345 1.00 0.00 H new ATOM 0 HA PHE B 52 2.327 -8.553 -8.771 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.494 -7.971 -5.907 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.440 -8.288 -7.271 1.00 0.00 H new ATOM 0 HD1 PHE B 52 3.298 -9.959 -5.505 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.501 -10.394 -7.385 1.00 0.00 H new ATOM 0 HE1 PHE B 52 3.287 -12.346 -4.929 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.515 -12.781 -6.805 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.381 -13.762 -5.578 1.00 0.00 H new ATOM 1662 N THR B 53 1.850 -6.043 -8.881 1.00 0.00 N ATOM 1663 CA THR B 53 1.805 -4.593 -9.041 1.00 0.00 C ATOM 1664 C THR B 53 0.376 -4.067 -9.014 1.00 0.00 C ATOM 1665 O THR B 53 -0.475 -4.485 -9.798 1.00 0.00 O ATOM 1666 CB THR B 53 2.505 -4.159 -10.330 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.224 -5.056 -11.387 1.00 0.00 O ATOM 1668 CG2 THR B 53 4.007 -4.043 -10.188 1.00 0.00 C ATOM 0 H THR B 53 1.325 -6.567 -9.581 1.00 0.00 H new ATOM 0 HA THR B 53 2.338 -4.161 -8.194 1.00 0.00 H new ATOM 0 HB THR B 53 2.109 -3.168 -10.553 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.561 -4.656 -11.988 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.439 -3.732 -11.139 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.244 -3.304 -9.422 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.421 -5.009 -9.900 1.00 0.00 H new ATOM 1676 N VAL B 54 0.139 -3.126 -8.107 1.00 0.00 N ATOM 1677 CA VAL B 54 -1.168 -2.500 -7.965 1.00 0.00 C ATOM 1678 C VAL B 54 -1.133 -1.101 -8.561 1.00 0.00 C ATOM 1679 O VAL B 54 -0.435 -0.221 -8.055 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.594 -2.414 -6.485 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -2.976 -1.794 -6.357 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.558 -3.791 -5.838 1.00 0.00 C ATOM 0 H VAL B 54 0.842 -2.779 -7.455 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.895 -3.115 -8.495 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.886 -1.772 -5.962 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.256 -1.743 -5.305 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -2.964 -0.789 -6.778 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.700 -2.405 -6.896 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.862 -3.711 -4.794 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.241 -4.458 -6.364 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.546 -4.192 -5.892 1.00 0.00 H new ATOM 1692 N THR B 55 -1.868 -0.899 -9.648 1.00 0.00 N ATOM 1693 CA THR B 55 -1.885 0.399 -10.308 1.00 0.00 C ATOM 1694 C THR B 55 -3.214 1.113 -10.102 1.00 0.00 C ATOM 1695 O THR B 55 -4.270 0.616 -10.497 1.00 0.00 O ATOM 1696 CB THR B 55 -1.591 0.242 -11.800 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.572 -0.718 -12.011 1.00 0.00 O ATOM 1698 CG2 THR B 55 -1.131 1.530 -12.445 1.00 0.00 C ATOM 0 H THR B 55 -2.454 -1.609 -10.087 1.00 0.00 H new ATOM 0 HA THR B 55 -1.105 1.012 -9.856 1.00 0.00 H new ATOM 0 HB THR B 55 -2.532 -0.071 -12.253 1.00 0.00 H new ATOM 0 HG1 THR B 55 -0.399 -0.806 -12.972 1.00 0.00 H new ATOM 0 HG21 THR B 55 -0.937 1.358 -13.504 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.906 2.288 -12.337 1.00 0.00 H new ATOM 0 HG23 THR B 55 -0.217 1.874 -11.960 1.00 0.00 H new ATOM 1706 N GLU B 56 -3.151 2.284 -9.475 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.345 3.077 -9.206 1.00 0.00 C ATOM 1708 C GLU B 56 -5.086 3.407 -10.499 1.00 0.00 C ATOM 1709 O GLU B 56 -6.322 3.232 -10.533 1.00 0.00 O ATOM 1710 CB GLU B 56 -3.963 4.370 -8.480 1.00 0.00 C ATOM 1711 CG GLU B 56 -5.152 5.260 -8.153 1.00 0.00 C ATOM 1712 CD GLU B 56 -4.739 6.569 -7.506 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -4.103 6.528 -6.433 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -5.052 7.637 -8.075 1.00 0.00 O ATOM 1715 OXT GLU B 56 -4.423 3.838 -11.467 1.00 0.00 O ATOM 0 H GLU B 56 -2.283 2.705 -9.143 1.00 0.00 H new ATOM 0 HA GLU B 56 -5.008 2.489 -8.572 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -3.444 4.118 -7.555 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.260 4.929 -9.098 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -5.707 5.470 -9.068 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -5.828 4.726 -7.485 1.00 0.00 H new TER 1722 GLU B 56