USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 833 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 TYR OH : rot 165:sc= -1.19 USER MOD Set 1.2: B 45 TYR OH : rot 85:sc= -2.33 USER MOD Set 1.3: B 50 LYS NZ :NH3+ 160:sc= -0.303 (180deg=-0.611) USER MOD Set 2.1: B 49 THR OG1 : rot -63:sc= 0.375 USER MOD Set 2.2: B 51 THR OG1 : rot 107:sc= 0.265 USER MOD Set 3.1: B 44 THR OG1 : rot 56:sc= 1.9 USER MOD Set 3.2: B 53 THR OG1 : rot 103:sc= 1.79 USER MOD Set 4.1: A 49 THR OG1 : rot -63:sc= 0.372 USER MOD Set 4.2: A 51 THR OG1 : rot 107:sc= 0.267 USER MOD Set 5.1: A 45 TYR OH : rot 84:sc= -2.39 USER MOD Set 5.2: A 50 LYS NZ :NH3+ 157:sc= -0.314 (180deg=-0.673) USER MOD Set 5.3: B 3 TYR OH : rot 165:sc= -1.16 USER MOD Set 6.1: A 44 THR OG1 : rot 55:sc= 1.77 USER MOD Set 6.2: A 53 THR OG1 : rot 103:sc= 1.89 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -176:sc= -1.18 (180deg=-1.19) USER MOD Single : A 8 ASN : amide:sc= -0.465 K(o=-0.47,f=-2.8!) USER MOD Single : A 10 LYS NZ :NH3+ 139:sc= -2.27! (180deg=-4.72!) USER MOD Single : A 11 THR OG1 : rot -138:sc= -2.56! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 169:sc= -5.29! USER MOD Single : A 17 THR OG1 : rot 32:sc= 0.337 USER MOD Single : A 18 THR OG1 : rot 35:sc= 0.886 USER MOD Single : A 25 THR OG1 : rot -9:sc= 0.828 USER MOD Single : A 28 LYS NZ :NH3+ 167:sc= -0.0286 (180deg=-0.227) USER MOD Single : A 31 LYS NZ :NH3+ -139:sc= -4.35! (180deg=-9.17!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -3.87! C(o=-3.9!,f=-3.8!) USER MOD Single : A 37 ASN : amide:sc= -7.57! C(o=-7.6!,f=-8.2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 160:sc= -2.15 (180deg=-3.41!) USER MOD Single : B 1 MET N :NH3+ -131:sc= 1.27 (180deg=0.594) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 LYS NZ :NH3+ -177:sc= -1.13 (180deg=-1.17) USER MOD Single : B 8 ASN : amide:sc= -0.471 K(o=-0.47,f=-2.9!) USER MOD Single : B 10 LYS NZ :NH3+ 137:sc= -2.22! (180deg=-4.74!) USER MOD Single : B 11 THR OG1 : rot -137:sc= -2.56! USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 THR OG1 : rot 166:sc= -5.33! USER MOD Single : B 17 THR OG1 : rot 33:sc= 0.341 USER MOD Single : B 18 THR OG1 : rot 35:sc= 0.886 USER MOD Single : B 25 THR OG1 : rot -12:sc= 0.859 USER MOD Single : B 28 LYS NZ :NH3+ 134:sc= -0.0246 (180deg=-0.225) USER MOD Single : B 31 LYS NZ :NH3+ -141:sc= -4.22! (180deg=-9.19!) USER MOD Single : B 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 35 ASN : amide:sc= -3.85! C(o=-3.9!,f=-4.1!) USER MOD Single : B 37 ASN : amide:sc= -7.67! C(o=-7.7!,f=-8.3!) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 7.721 -15.461 1.134 1.00 0.00 N ATOM 21 CA GLN A 2 7.543 -14.014 1.166 1.00 0.00 C ATOM 22 C GLN A 2 7.367 -13.455 -0.241 1.00 0.00 C ATOM 23 O GLN A 2 8.067 -13.853 -1.170 1.00 0.00 O ATOM 24 CB GLN A 2 8.739 -13.344 1.848 1.00 0.00 C ATOM 25 CG GLN A 2 8.622 -11.831 1.934 1.00 0.00 C ATOM 26 CD GLN A 2 9.821 -11.190 2.605 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.954 -11.329 2.144 1.00 0.00 O ATOM 28 NE2 GLN A 2 9.576 -10.482 3.703 1.00 0.00 N ATOM 0 HA GLN A 2 6.641 -13.799 1.738 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.847 -13.749 2.854 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.647 -13.599 1.302 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.510 -11.421 0.930 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.719 -11.571 2.487 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.621 -10.393 4.050 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.343 -10.028 4.199 1.00 0.00 H new ATOM 37 N TYR A 3 6.435 -12.524 -0.388 1.00 0.00 N ATOM 38 CA TYR A 3 6.173 -11.907 -1.680 1.00 0.00 C ATOM 39 C TYR A 3 6.367 -10.401 -1.612 1.00 0.00 C ATOM 40 O TYR A 3 6.137 -9.785 -0.574 1.00 0.00 O ATOM 41 CB TYR A 3 4.750 -12.226 -2.142 1.00 0.00 C ATOM 42 CG TYR A 3 4.487 -13.704 -2.309 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.437 -14.547 -1.206 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.286 -14.256 -3.566 1.00 0.00 C ATOM 45 CE1 TYR A 3 4.198 -15.899 -1.354 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.045 -15.606 -3.723 1.00 0.00 C ATOM 47 CZ TYR A 3 4.003 -16.424 -2.614 1.00 0.00 C ATOM 48 OH TYR A 3 3.764 -17.771 -2.764 1.00 0.00 O ATOM 0 H TYR A 3 5.848 -12.180 0.372 1.00 0.00 H new ATOM 0 HA TYR A 3 6.883 -12.316 -2.399 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.042 -11.819 -1.420 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.563 -11.722 -3.090 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.587 -14.139 -0.218 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.319 -13.618 -4.437 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.164 -16.542 -0.487 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.890 -16.019 -4.709 1.00 0.00 H new ATOM 0 HH TYR A 3 3.414 -17.943 -3.663 1.00 0.00 H new ATOM 58 N LYS A 4 6.789 -9.813 -2.726 1.00 0.00 N ATOM 59 CA LYS A 4 7.007 -8.374 -2.785 1.00 0.00 C ATOM 60 C LYS A 4 5.925 -7.715 -3.628 1.00 0.00 C ATOM 61 O LYS A 4 5.932 -7.812 -4.854 1.00 0.00 O ATOM 62 CB LYS A 4 8.390 -8.064 -3.361 1.00 0.00 C ATOM 63 CG LYS A 4 8.724 -6.581 -3.368 1.00 0.00 C ATOM 64 CD LYS A 4 10.120 -6.326 -3.914 1.00 0.00 C ATOM 65 CE LYS A 4 10.468 -4.846 -3.880 1.00 0.00 C ATOM 66 NZ LYS A 4 10.450 -4.303 -2.494 1.00 0.00 N ATOM 0 H LYS A 4 6.986 -10.308 -3.596 1.00 0.00 H new ATOM 0 HA LYS A 4 6.958 -7.973 -1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.144 -8.596 -2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.444 -8.446 -4.381 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.992 -6.045 -3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.651 -6.186 -2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.849 -6.886 -3.329 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.184 -6.693 -4.938 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.455 -4.695 -4.316 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.760 -4.292 -4.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.625 -3.278 -2.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.521 -4.484 -2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.191 -4.767 -1.930 1.00 0.00 H new ATOM 80 N VAL A 5 4.987 -7.051 -2.965 1.00 0.00 N ATOM 81 CA VAL A 5 3.894 -6.391 -3.660 1.00 0.00 C ATOM 82 C VAL A 5 4.209 -4.921 -3.922 1.00 0.00 C ATOM 83 O VAL A 5 4.440 -4.140 -3.000 1.00 0.00 O ATOM 84 CB VAL A 5 2.574 -6.506 -2.870 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.440 -5.808 -3.607 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.235 -7.967 -2.616 1.00 0.00 C ATOM 0 H VAL A 5 4.963 -6.956 -1.950 1.00 0.00 H new ATOM 0 HA VAL A 5 3.774 -6.899 -4.617 1.00 0.00 H new ATOM 0 HB VAL A 5 2.704 -6.010 -1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.519 -5.902 -3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.683 -4.753 -3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.304 -6.268 -4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.301 -8.032 -2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.125 -8.486 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.035 -8.431 -2.040 1.00 0.00 H new ATOM 96 N ILE A 6 4.212 -4.567 -5.199 1.00 0.00 N ATOM 97 CA ILE A 6 4.489 -3.205 -5.630 1.00 0.00 C ATOM 98 C ILE A 6 3.193 -2.431 -5.852 1.00 0.00 C ATOM 99 O ILE A 6 2.320 -2.859 -6.605 1.00 0.00 O ATOM 100 CB ILE A 6 5.324 -3.194 -6.929 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.697 -3.818 -6.679 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.468 -1.778 -7.470 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.573 -3.866 -7.912 1.00 0.00 C ATOM 0 H ILE A 6 4.023 -5.215 -5.964 1.00 0.00 H new ATOM 0 HA ILE A 6 5.061 -2.722 -4.838 1.00 0.00 H new ATOM 0 HB ILE A 6 4.802 -3.788 -7.679 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.209 -3.251 -5.902 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.563 -4.831 -6.299 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.060 -1.797 -8.385 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.481 -1.368 -7.685 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.966 -1.154 -6.728 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.531 -4.321 -7.660 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.082 -4.458 -8.684 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.738 -2.854 -8.281 1.00 0.00 H new ATOM 115 N LEU A 7 3.083 -1.285 -5.193 1.00 0.00 N ATOM 116 CA LEU A 7 1.904 -0.439 -5.317 1.00 0.00 C ATOM 117 C LEU A 7 2.233 0.769 -6.192 1.00 0.00 C ATOM 118 O LEU A 7 2.764 1.769 -5.709 1.00 0.00 O ATOM 119 CB LEU A 7 1.444 0.009 -3.926 1.00 0.00 C ATOM 120 CG LEU A 7 1.423 -1.097 -2.874 1.00 0.00 C ATOM 121 CD1 LEU A 7 0.941 -0.548 -1.540 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.545 -2.249 -3.340 1.00 0.00 C ATOM 0 H LEU A 7 3.799 -0.919 -4.565 1.00 0.00 H new ATOM 0 HA LEU A 7 1.095 -1.000 -5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.101 0.808 -3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.443 0.433 -4.008 1.00 0.00 H new ATOM 0 HG LEU A 7 2.436 -1.475 -2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.931 -1.348 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.612 0.245 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.066 -0.147 -1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.538 -3.031 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.472 -1.890 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.939 -2.652 -4.273 1.00 0.00 H new ATOM 134 N ASN A 8 1.956 0.651 -7.489 1.00 0.00 N ATOM 135 CA ASN A 8 2.267 1.717 -8.440 1.00 0.00 C ATOM 136 C ASN A 8 1.046 2.563 -8.794 1.00 0.00 C ATOM 137 O ASN A 8 0.142 2.105 -9.494 1.00 0.00 O ATOM 138 CB ASN A 8 2.845 1.103 -9.716 1.00 0.00 C ATOM 139 CG ASN A 8 3.430 2.138 -10.654 1.00 0.00 C ATOM 140 OD1 ASN A 8 2.771 3.111 -11.017 1.00 0.00 O ATOM 141 ND2 ASN A 8 4.674 1.920 -11.064 1.00 0.00 N ATOM 0 H ASN A 8 1.518 -0.170 -7.905 1.00 0.00 H new ATOM 0 HA ASN A 8 2.993 2.377 -7.964 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.619 0.383 -9.449 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.061 0.551 -10.235 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.121 2.574 -11.707 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.182 1.099 -10.736 1.00 0.00 H new ATOM 148 N GLY A 9 1.030 3.806 -8.319 1.00 0.00 N ATOM 149 CA GLY A 9 -0.080 4.692 -8.616 1.00 0.00 C ATOM 150 C GLY A 9 0.348 5.923 -9.387 1.00 0.00 C ATOM 151 O GLY A 9 1.459 5.982 -9.912 1.00 0.00 O ATOM 0 H GLY A 9 1.762 4.213 -7.737 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.829 4.149 -9.192 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.555 4.998 -7.684 1.00 0.00 H new ATOM 155 N LYS A 10 -0.540 6.909 -9.452 1.00 0.00 N ATOM 156 CA LYS A 10 -0.256 8.148 -10.160 1.00 0.00 C ATOM 157 C LYS A 10 0.595 9.084 -9.306 1.00 0.00 C ATOM 158 O LYS A 10 1.678 9.503 -9.714 1.00 0.00 O ATOM 159 CB LYS A 10 -1.560 8.851 -10.554 1.00 0.00 C ATOM 160 CG LYS A 10 -2.268 8.222 -11.747 1.00 0.00 C ATOM 161 CD LYS A 10 -1.482 8.396 -13.038 1.00 0.00 C ATOM 162 CE LYS A 10 -1.547 9.825 -13.551 1.00 0.00 C ATOM 163 NZ LYS A 10 -0.720 10.759 -12.738 1.00 0.00 N ATOM 0 H LYS A 10 -1.464 6.872 -9.021 1.00 0.00 H new ATOM 0 HA LYS A 10 0.302 7.896 -11.062 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.236 8.845 -9.699 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.343 9.895 -10.782 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.422 7.160 -11.558 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.254 8.672 -11.861 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.442 8.117 -12.870 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.875 7.719 -13.797 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.208 9.852 -14.587 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.583 10.163 -13.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.227 11.424 -13.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.334 11.289 -12.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.021 10.217 -12.191 1.00 0.00 H new ATOM 177 N THR A 11 0.088 9.413 -8.123 1.00 0.00 N ATOM 178 CA THR A 11 0.775 10.303 -7.204 1.00 0.00 C ATOM 179 C THR A 11 1.417 9.529 -6.062 1.00 0.00 C ATOM 180 O THR A 11 1.976 10.123 -5.140 1.00 0.00 O ATOM 181 CB THR A 11 -0.222 11.309 -6.640 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.432 10.661 -6.286 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.564 12.428 -7.599 1.00 0.00 C ATOM 0 H THR A 11 -0.808 9.070 -7.778 1.00 0.00 H new ATOM 0 HA THR A 11 1.564 10.820 -7.750 1.00 0.00 H new ATOM 0 HB THR A 11 0.269 11.744 -5.770 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.192 11.213 -6.564 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.278 13.104 -7.129 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.342 12.977 -7.855 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.003 12.010 -8.505 1.00 0.00 H new ATOM 191 N LEU A 12 1.329 8.207 -6.116 1.00 0.00 N ATOM 192 CA LEU A 12 1.899 7.380 -5.069 1.00 0.00 C ATOM 193 C LEU A 12 2.616 6.164 -5.642 1.00 0.00 C ATOM 194 O LEU A 12 2.134 5.516 -6.569 1.00 0.00 O ATOM 195 CB LEU A 12 0.809 6.943 -4.090 1.00 0.00 C ATOM 196 CG LEU A 12 1.296 6.078 -2.934 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.493 6.734 -2.269 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.179 5.847 -1.927 1.00 0.00 C ATOM 0 H LEU A 12 0.872 7.691 -6.868 1.00 0.00 H new ATOM 0 HA LEU A 12 2.638 7.978 -4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.329 7.833 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.046 6.393 -4.640 1.00 0.00 H new ATOM 0 HG LEU A 12 1.600 5.107 -3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.837 6.111 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.296 6.848 -2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.206 7.714 -1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.548 5.227 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.158 6.805 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.654 5.343 -2.417 1.00 0.00 H new ATOM 210 N LYS A 13 3.771 5.862 -5.063 1.00 0.00 N ATOM 211 CA LYS A 13 4.576 4.723 -5.483 1.00 0.00 C ATOM 212 C LYS A 13 5.269 4.106 -4.274 1.00 0.00 C ATOM 213 O LYS A 13 5.680 4.820 -3.362 1.00 0.00 O ATOM 214 CB LYS A 13 5.611 5.157 -6.523 1.00 0.00 C ATOM 215 CG LYS A 13 4.994 5.729 -7.789 1.00 0.00 C ATOM 216 CD LYS A 13 6.059 6.196 -8.770 1.00 0.00 C ATOM 217 CE LYS A 13 6.910 7.308 -8.178 1.00 0.00 C ATOM 218 NZ LYS A 13 7.934 7.798 -9.143 1.00 0.00 N ATOM 0 H LYS A 13 4.174 6.396 -4.293 1.00 0.00 H new ATOM 0 HA LYS A 13 3.923 3.977 -5.937 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.269 5.904 -6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.232 4.301 -6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.368 4.973 -8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.344 6.565 -7.532 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.696 5.355 -9.045 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.583 6.548 -9.685 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.268 8.136 -7.878 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.405 6.946 -7.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.493 8.555 -8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.563 7.014 -9.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.462 8.167 -9.993 1.00 0.00 H new ATOM 232 N GLY A 14 5.398 2.784 -4.262 1.00 0.00 N ATOM 233 CA GLY A 14 6.047 2.132 -3.140 1.00 0.00 C ATOM 234 C GLY A 14 6.213 0.639 -3.321 1.00 0.00 C ATOM 235 O GLY A 14 5.901 0.089 -4.376 1.00 0.00 O ATOM 0 H GLY A 14 5.070 2.159 -4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.028 2.582 -2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.466 2.318 -2.237 1.00 0.00 H new ATOM 239 N GLU A 15 6.702 -0.015 -2.271 1.00 0.00 N ATOM 240 CA GLU A 15 6.913 -1.454 -2.288 1.00 0.00 C ATOM 241 C GLU A 15 6.534 -2.057 -0.940 1.00 0.00 C ATOM 242 O GLU A 15 6.876 -1.515 0.112 1.00 0.00 O ATOM 243 CB GLU A 15 8.370 -1.796 -2.617 1.00 0.00 C ATOM 244 CG GLU A 15 8.878 -1.171 -3.908 1.00 0.00 C ATOM 245 CD GLU A 15 9.508 0.195 -3.697 1.00 0.00 C ATOM 246 OE1 GLU A 15 8.820 1.098 -3.178 1.00 0.00 O ATOM 247 OE2 GLU A 15 10.693 0.360 -4.052 1.00 0.00 O ATOM 0 H GLU A 15 6.960 0.435 -1.393 1.00 0.00 H new ATOM 0 HA GLU A 15 6.277 -1.877 -3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.004 -1.468 -1.793 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.471 -2.879 -2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.611 -1.837 -4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.050 -1.079 -4.611 1.00 0.00 H new ATOM 254 N THR A 16 5.824 -3.174 -0.979 1.00 0.00 N ATOM 255 CA THR A 16 5.391 -3.854 0.235 1.00 0.00 C ATOM 256 C THR A 16 5.614 -5.362 0.127 1.00 0.00 C ATOM 257 O THR A 16 5.906 -5.873 -0.952 1.00 0.00 O ATOM 258 CB THR A 16 3.922 -3.532 0.517 1.00 0.00 C ATOM 259 OG1 THR A 16 3.357 -4.499 1.366 1.00 0.00 O ATOM 260 CG2 THR A 16 3.063 -3.445 -0.727 1.00 0.00 C ATOM 0 H THR A 16 5.533 -3.632 -1.843 1.00 0.00 H new ATOM 0 HA THR A 16 5.991 -3.494 1.071 1.00 0.00 H new ATOM 0 HB THR A 16 3.933 -2.548 0.987 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.481 -4.189 1.678 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.036 -3.214 -0.445 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.446 -2.660 -1.379 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.088 -4.399 -1.254 1.00 0.00 H new ATOM 268 N THR A 17 5.509 -6.069 1.253 1.00 0.00 N ATOM 269 CA THR A 17 5.735 -7.515 1.259 1.00 0.00 C ATOM 270 C THR A 17 4.804 -8.269 2.215 1.00 0.00 C ATOM 271 O THR A 17 4.833 -8.058 3.428 1.00 0.00 O ATOM 272 CB THR A 17 7.187 -7.812 1.628 1.00 0.00 C ATOM 273 OG1 THR A 17 7.519 -7.218 2.870 1.00 0.00 O ATOM 274 CG2 THR A 17 8.181 -7.320 0.600 1.00 0.00 C ATOM 0 H THR A 17 5.272 -5.671 2.162 1.00 0.00 H new ATOM 0 HA THR A 17 5.514 -7.868 0.252 1.00 0.00 H new ATOM 0 HB THR A 17 7.255 -8.899 1.679 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.727 -7.200 3.446 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.192 -7.564 0.926 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.982 -7.801 -0.358 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.086 -6.240 0.490 1.00 0.00 H new ATOM 282 N THR A 18 4.003 -9.169 1.650 1.00 0.00 N ATOM 283 CA THR A 18 3.076 -9.994 2.426 1.00 0.00 C ATOM 284 C THR A 18 3.584 -11.437 2.481 1.00 0.00 C ATOM 285 O THR A 18 4.153 -11.938 1.511 1.00 0.00 O ATOM 286 CB THR A 18 1.682 -9.964 1.796 1.00 0.00 C ATOM 287 OG1 THR A 18 0.754 -10.660 2.607 1.00 0.00 O ATOM 288 CG2 THR A 18 1.634 -10.579 0.413 1.00 0.00 C ATOM 0 H THR A 18 3.977 -9.348 0.646 1.00 0.00 H new ATOM 0 HA THR A 18 3.016 -9.593 3.438 1.00 0.00 H new ATOM 0 HB THR A 18 1.424 -8.908 1.714 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.985 -10.533 3.551 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.617 -10.524 0.026 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.305 -10.034 -0.251 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.946 -11.622 0.468 1.00 0.00 H new ATOM 296 N GLU A 19 3.367 -12.102 3.610 1.00 0.00 N ATOM 297 CA GLU A 19 3.795 -13.491 3.778 1.00 0.00 C ATOM 298 C GLU A 19 2.598 -14.426 3.636 1.00 0.00 C ATOM 299 O GLU A 19 1.681 -14.391 4.459 1.00 0.00 O ATOM 300 CB GLU A 19 4.438 -13.679 5.157 1.00 0.00 C ATOM 301 CG GLU A 19 4.919 -15.096 5.421 1.00 0.00 C ATOM 302 CD GLU A 19 6.084 -15.497 4.533 1.00 0.00 C ATOM 303 OE1 GLU A 19 6.561 -14.642 3.757 1.00 0.00 O ATOM 304 OE2 GLU A 19 6.522 -16.662 4.621 1.00 0.00 O ATOM 0 H GLU A 19 2.898 -11.704 4.424 1.00 0.00 H new ATOM 0 HA GLU A 19 4.528 -13.729 3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.282 -12.995 5.250 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.716 -13.401 5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.217 -15.185 6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.093 -15.790 5.265 1.00 0.00 H new ATOM 311 N ALA A 20 2.590 -15.253 2.591 1.00 0.00 N ATOM 312 CA ALA A 20 1.475 -16.168 2.371 1.00 0.00 C ATOM 313 C ALA A 20 1.917 -17.471 1.702 1.00 0.00 C ATOM 314 O ALA A 20 2.917 -17.515 0.986 1.00 0.00 O ATOM 315 CB ALA A 20 0.402 -15.485 1.541 1.00 0.00 C ATOM 0 H ALA A 20 3.332 -15.307 1.894 1.00 0.00 H new ATOM 0 HA ALA A 20 1.069 -16.432 3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.427 -16.174 1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.043 -14.601 2.067 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.820 -15.190 0.578 1.00 0.00 H new ATOM 321 N VAL A 21 1.163 -18.532 1.972 1.00 0.00 N ATOM 322 CA VAL A 21 1.453 -19.862 1.437 1.00 0.00 C ATOM 323 C VAL A 21 1.656 -19.847 -0.080 1.00 0.00 C ATOM 324 O VAL A 21 2.483 -20.590 -0.608 1.00 0.00 O ATOM 325 CB VAL A 21 0.319 -20.848 1.770 1.00 0.00 C ATOM 326 CG1 VAL A 21 0.705 -22.266 1.374 1.00 0.00 C ATOM 327 CG2 VAL A 21 -0.040 -20.772 3.246 1.00 0.00 C ATOM 0 H VAL A 21 0.335 -18.496 2.566 1.00 0.00 H new ATOM 0 HA VAL A 21 2.381 -20.184 1.910 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.562 -20.566 1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.111 -22.947 1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.901 -22.304 0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.602 -22.564 1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.843 -21.476 3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.834 -21.024 3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.368 -19.761 3.489 1.00 0.00 H new ATOM 337 N ASP A 22 0.906 -18.999 -0.775 1.00 0.00 N ATOM 338 CA ASP A 22 1.025 -18.904 -2.229 1.00 0.00 C ATOM 339 C ASP A 22 0.736 -17.490 -2.721 1.00 0.00 C ATOM 340 O ASP A 22 0.315 -16.627 -1.951 1.00 0.00 O ATOM 341 CB ASP A 22 0.098 -19.912 -2.912 1.00 0.00 C ATOM 342 CG ASP A 22 -1.369 -19.605 -2.693 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.836 -18.565 -3.199 1.00 0.00 O ATOM 344 OD2 ASP A 22 -2.051 -20.401 -2.016 1.00 0.00 O ATOM 0 H ASP A 22 0.215 -18.372 -0.362 1.00 0.00 H new ATOM 0 HA ASP A 22 2.055 -19.143 -2.494 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.306 -19.923 -3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.315 -20.911 -2.535 1.00 0.00 H new ATOM 349 N ALA A 23 0.975 -17.258 -4.009 1.00 0.00 N ATOM 350 CA ALA A 23 0.753 -15.947 -4.607 1.00 0.00 C ATOM 351 C ALA A 23 -0.693 -15.500 -4.443 1.00 0.00 C ATOM 352 O ALA A 23 -0.961 -14.345 -4.117 1.00 0.00 O ATOM 353 CB ALA A 23 1.144 -15.964 -6.078 1.00 0.00 C ATOM 0 H ALA A 23 1.323 -17.963 -4.659 1.00 0.00 H new ATOM 0 HA ALA A 23 1.383 -15.228 -4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.973 -14.979 -6.511 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.199 -16.223 -6.171 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.541 -16.702 -6.606 1.00 0.00 H new ATOM 359 N ALA A 24 -1.621 -16.422 -4.659 1.00 0.00 N ATOM 360 CA ALA A 24 -3.037 -16.112 -4.520 1.00 0.00 C ATOM 361 C ALA A 24 -3.338 -15.710 -3.086 1.00 0.00 C ATOM 362 O ALA A 24 -3.847 -14.618 -2.830 1.00 0.00 O ATOM 363 CB ALA A 24 -3.892 -17.298 -4.940 1.00 0.00 C ATOM 0 H ALA A 24 -1.421 -17.385 -4.929 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.281 -15.277 -5.177 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.946 -17.044 -4.828 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.687 -17.544 -5.982 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.657 -18.157 -4.311 1.00 0.00 H new ATOM 369 N THR A 25 -2.990 -16.584 -2.147 1.00 0.00 N ATOM 370 CA THR A 25 -3.193 -16.300 -0.741 1.00 0.00 C ATOM 371 C THR A 25 -2.586 -14.945 -0.414 1.00 0.00 C ATOM 372 O THR A 25 -3.209 -14.115 0.246 1.00 0.00 O ATOM 373 CB THR A 25 -2.564 -17.401 0.114 1.00 0.00 C ATOM 374 OG1 THR A 25 -1.213 -17.612 -0.252 1.00 0.00 O ATOM 375 CG2 THR A 25 -3.281 -18.728 0.004 1.00 0.00 C ATOM 0 H THR A 25 -2.567 -17.492 -2.339 1.00 0.00 H new ATOM 0 HA THR A 25 -4.260 -16.272 -0.521 1.00 0.00 H new ATOM 0 HB THR A 25 -2.644 -17.047 1.142 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.012 -17.106 -1.067 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.783 -19.464 0.635 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.315 -18.611 0.329 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.263 -19.067 -1.032 1.00 0.00 H new ATOM 383 N ALA A 26 -1.378 -14.715 -0.920 1.00 0.00 N ATOM 384 CA ALA A 26 -0.706 -13.445 -0.717 1.00 0.00 C ATOM 385 C ALA A 26 -1.549 -12.331 -1.317 1.00 0.00 C ATOM 386 O ALA A 26 -1.851 -11.337 -0.655 1.00 0.00 O ATOM 387 CB ALA A 26 0.684 -13.468 -1.339 1.00 0.00 C ATOM 0 H ALA A 26 -0.850 -15.392 -1.471 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.587 -13.266 0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.171 -12.507 -1.176 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.276 -14.258 -0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.601 -13.656 -2.409 1.00 0.00 H new ATOM 393 N GLU A 27 -1.943 -12.511 -2.579 1.00 0.00 N ATOM 394 CA GLU A 27 -2.766 -11.534 -3.277 1.00 0.00 C ATOM 395 C GLU A 27 -3.994 -11.173 -2.450 1.00 0.00 C ATOM 396 O GLU A 27 -4.279 -9.995 -2.230 1.00 0.00 O ATOM 397 CB GLU A 27 -3.198 -12.085 -4.637 1.00 0.00 C ATOM 398 CG GLU A 27 -4.052 -11.117 -5.441 1.00 0.00 C ATOM 399 CD GLU A 27 -4.462 -11.679 -6.790 1.00 0.00 C ATOM 400 OE1 GLU A 27 -4.078 -12.827 -7.097 1.00 0.00 O ATOM 401 OE2 GLU A 27 -5.166 -10.969 -7.539 1.00 0.00 O ATOM 0 H GLU A 27 -1.702 -13.330 -3.137 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.173 -10.632 -3.428 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.310 -12.340 -5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.756 -13.009 -4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.946 -10.866 -4.870 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.499 -10.190 -5.591 1.00 0.00 H new ATOM 408 N LYS A 28 -4.710 -12.192 -1.979 1.00 0.00 N ATOM 409 CA LYS A 28 -5.898 -11.971 -1.164 1.00 0.00 C ATOM 410 C LYS A 28 -5.528 -11.299 0.146 1.00 0.00 C ATOM 411 O LYS A 28 -6.173 -10.335 0.561 1.00 0.00 O ATOM 412 CB LYS A 28 -6.626 -13.292 -0.918 1.00 0.00 C ATOM 413 CG LYS A 28 -7.494 -13.728 -2.091 1.00 0.00 C ATOM 414 CD LYS A 28 -6.799 -13.487 -3.423 1.00 0.00 C ATOM 415 CE LYS A 28 -7.655 -13.953 -4.591 1.00 0.00 C ATOM 416 NZ LYS A 28 -8.969 -13.253 -4.632 1.00 0.00 N ATOM 0 H LYS A 28 -4.488 -13.173 -2.148 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.573 -11.306 -1.703 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.892 -14.070 -0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.250 -13.195 -0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.735 -14.786 -1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.438 -13.183 -2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.579 -12.425 -3.533 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.845 -14.013 -3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.121 -13.777 -5.525 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.819 -15.028 -4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.428 -13.429 -5.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.576 -13.610 -3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.822 -12.231 -4.509 1.00 0.00 H new ATOM 430 N VAL A 29 -4.472 -11.787 0.789 1.00 0.00 N ATOM 431 CA VAL A 29 -4.020 -11.193 2.038 1.00 0.00 C ATOM 432 C VAL A 29 -3.769 -9.709 1.829 1.00 0.00 C ATOM 433 O VAL A 29 -4.130 -8.881 2.665 1.00 0.00 O ATOM 434 CB VAL A 29 -2.737 -11.871 2.561 1.00 0.00 C ATOM 435 CG1 VAL A 29 -2.234 -11.178 3.816 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.985 -13.348 2.829 1.00 0.00 C ATOM 0 H VAL A 29 -3.920 -12.583 0.469 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.800 -11.339 2.785 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.968 -11.784 1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.329 -11.673 4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.013 -10.134 3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.999 -11.229 4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.069 -13.810 3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.771 -13.455 3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.293 -13.839 1.906 1.00 0.00 H new ATOM 446 N VAL A 30 -3.177 -9.379 0.687 1.00 0.00 N ATOM 447 CA VAL A 30 -2.914 -7.994 0.349 1.00 0.00 C ATOM 448 C VAL A 30 -4.245 -7.274 0.164 1.00 0.00 C ATOM 449 O VAL A 30 -4.458 -6.196 0.712 1.00 0.00 O ATOM 450 CB VAL A 30 -2.073 -7.862 -0.932 1.00 0.00 C ATOM 451 CG1 VAL A 30 -1.661 -6.413 -1.152 1.00 0.00 C ATOM 452 CG2 VAL A 30 -0.851 -8.769 -0.869 1.00 0.00 C ATOM 0 H VAL A 30 -2.873 -10.053 -0.016 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.342 -7.546 1.162 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.683 -8.176 -1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.067 -6.338 -2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.552 -5.792 -1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.069 -6.070 -0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.270 -8.660 -1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.235 -8.491 -0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.172 -9.805 -0.764 1.00 0.00 H new ATOM 462 N LYS A 31 -5.158 -7.891 -0.593 1.00 0.00 N ATOM 463 CA LYS A 31 -6.480 -7.307 -0.811 1.00 0.00 C ATOM 464 C LYS A 31 -7.064 -6.854 0.513 1.00 0.00 C ATOM 465 O LYS A 31 -7.534 -5.726 0.653 1.00 0.00 O ATOM 466 CB LYS A 31 -7.439 -8.315 -1.442 1.00 0.00 C ATOM 467 CG LYS A 31 -7.100 -8.691 -2.869 1.00 0.00 C ATOM 468 CD LYS A 31 -8.087 -9.706 -3.423 1.00 0.00 C ATOM 469 CE LYS A 31 -9.401 -9.054 -3.828 1.00 0.00 C ATOM 470 NZ LYS A 31 -10.192 -8.595 -2.652 1.00 0.00 N ATOM 0 H LYS A 31 -5.006 -8.785 -1.060 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.360 -6.461 -1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.449 -9.219 -0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.448 -7.903 -1.417 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.105 -7.798 -3.494 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.091 -9.102 -2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.648 -10.206 -4.286 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.278 -10.474 -2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.197 -8.204 -4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.993 -9.764 -4.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.198 -8.811 -2.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.858 -9.084 -1.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.073 -7.569 -2.533 1.00 0.00 H new ATOM 484 N GLN A 32 -7.022 -7.757 1.484 1.00 0.00 N ATOM 485 CA GLN A 32 -7.539 -7.479 2.812 1.00 0.00 C ATOM 486 C GLN A 32 -6.812 -6.275 3.398 1.00 0.00 C ATOM 487 O GLN A 32 -7.406 -5.439 4.077 1.00 0.00 O ATOM 488 CB GLN A 32 -7.364 -8.711 3.697 1.00 0.00 C ATOM 489 CG GLN A 32 -8.276 -8.731 4.908 1.00 0.00 C ATOM 490 CD GLN A 32 -8.333 -10.101 5.549 1.00 0.00 C ATOM 491 OE1 GLN A 32 -7.487 -10.452 6.372 1.00 0.00 O ATOM 492 NE2 GLN A 32 -9.310 -10.901 5.135 1.00 0.00 N ATOM 0 H GLN A 32 -6.632 -8.693 1.373 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.602 -7.246 2.756 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.549 -9.604 3.100 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.328 -8.761 4.033 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.925 -8.003 5.639 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -9.280 -8.427 4.612 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.988 -10.566 4.451 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.382 -11.850 5.501 1.00 0.00 H new ATOM 501 N PHE A 33 -5.516 -6.194 3.104 1.00 0.00 N ATOM 502 CA PHE A 33 -4.679 -5.093 3.564 1.00 0.00 C ATOM 503 C PHE A 33 -5.307 -3.756 3.157 1.00 0.00 C ATOM 504 O PHE A 33 -5.724 -2.965 4.002 1.00 0.00 O ATOM 505 CB PHE A 33 -3.278 -5.239 2.952 1.00 0.00 C ATOM 506 CG PHE A 33 -2.244 -4.330 3.539 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.791 -4.525 4.830 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.716 -3.282 2.794 1.00 0.00 C ATOM 509 CE1 PHE A 33 -0.834 -3.692 5.374 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.758 -2.448 3.337 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.319 -2.656 4.630 1.00 0.00 C ATOM 0 H PHE A 33 -5.020 -6.887 2.543 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.599 -5.118 4.651 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.948 -6.271 3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.342 -5.050 1.880 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.190 -5.337 5.419 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.057 -3.118 1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.489 -3.854 6.385 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.353 -1.635 2.752 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.429 -2.005 5.057 1.00 0.00 H new ATOM 521 N PHE A 34 -5.379 -3.533 1.850 1.00 0.00 N ATOM 522 CA PHE A 34 -5.966 -2.313 1.300 1.00 0.00 C ATOM 523 C PHE A 34 -7.453 -2.254 1.613 1.00 0.00 C ATOM 524 O PHE A 34 -7.988 -1.200 1.948 1.00 0.00 O ATOM 525 CB PHE A 34 -5.704 -2.249 -0.200 1.00 0.00 C ATOM 526 CG PHE A 34 -4.240 -2.326 -0.488 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.367 -1.455 0.140 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.729 -3.287 -1.340 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.011 -1.539 -0.074 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.371 -3.372 -1.567 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.512 -2.496 -0.928 1.00 0.00 C ATOM 0 H PHE A 34 -5.036 -4.186 1.145 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.500 -1.444 1.764 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.221 -3.069 -0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.110 -1.322 -0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.756 -0.699 0.807 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.398 -3.977 -1.832 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.340 -0.856 0.426 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.980 -4.120 -2.241 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.448 -2.563 -1.100 1.00 0.00 H new ATOM 541 N ASN A 35 -8.106 -3.402 1.531 1.00 0.00 N ATOM 542 CA ASN A 35 -9.525 -3.501 1.836 1.00 0.00 C ATOM 543 C ASN A 35 -9.808 -2.858 3.191 1.00 0.00 C ATOM 544 O ASN A 35 -10.825 -2.192 3.387 1.00 0.00 O ATOM 545 CB ASN A 35 -9.931 -4.973 1.877 1.00 0.00 C ATOM 546 CG ASN A 35 -11.407 -5.171 2.132 1.00 0.00 C ATOM 547 OD1 ASN A 35 -11.982 -4.576 3.043 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.017 -6.037 1.340 1.00 0.00 N ATOM 0 H ASN A 35 -7.673 -4.283 1.254 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.097 -2.983 1.066 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.665 -5.444 0.931 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.362 -5.480 2.656 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.009 -6.237 1.471 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.496 -6.505 0.598 1.00 0.00 H new ATOM 555 N ASP A 36 -8.881 -3.077 4.117 1.00 0.00 N ATOM 556 CA ASP A 36 -8.990 -2.542 5.470 1.00 0.00 C ATOM 557 C ASP A 36 -8.253 -1.209 5.626 1.00 0.00 C ATOM 558 O ASP A 36 -8.565 -0.431 6.528 1.00 0.00 O ATOM 559 CB ASP A 36 -8.454 -3.554 6.484 1.00 0.00 C ATOM 560 CG ASP A 36 -9.225 -4.859 6.461 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.450 -4.829 6.702 1.00 0.00 O ATOM 562 OD2 ASP A 36 -8.604 -5.912 6.203 1.00 0.00 O ATOM 0 H ASP A 36 -8.038 -3.627 3.953 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.047 -2.358 5.660 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.403 -3.752 6.274 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.504 -3.123 7.484 1.00 0.00 H new ATOM 567 N ASN A 37 -7.281 -0.939 4.755 1.00 0.00 N ATOM 568 CA ASN A 37 -6.531 0.316 4.834 1.00 0.00 C ATOM 569 C ASN A 37 -7.286 1.438 4.136 1.00 0.00 C ATOM 570 O ASN A 37 -7.419 2.536 4.675 1.00 0.00 O ATOM 571 CB ASN A 37 -5.140 0.170 4.208 1.00 0.00 C ATOM 572 CG ASN A 37 -4.273 -0.843 4.929 1.00 0.00 C ATOM 573 OD1 ASN A 37 -4.236 -0.875 6.156 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.545 -1.657 4.174 1.00 0.00 N ATOM 0 H ASN A 37 -6.997 -1.561 3.998 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.416 0.563 5.889 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.246 -0.127 3.165 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.640 1.139 4.215 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.927 -2.341 4.611 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.604 -1.599 3.157 1.00 0.00 H new ATOM 581 N GLY A 38 -7.771 1.135 2.934 1.00 0.00 N ATOM 582 CA GLY A 38 -8.519 2.082 2.118 1.00 0.00 C ATOM 583 C GLY A 38 -8.939 3.367 2.817 1.00 0.00 C ATOM 584 O GLY A 38 -8.109 4.229 3.108 1.00 0.00 O ATOM 0 H GLY A 38 -7.654 0.220 2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.914 2.343 1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.414 1.584 1.744 1.00 0.00 H new ATOM 588 N VAL A 39 -10.245 3.519 3.015 1.00 0.00 N ATOM 589 CA VAL A 39 -10.800 4.736 3.604 1.00 0.00 C ATOM 590 C VAL A 39 -11.383 4.540 5.001 1.00 0.00 C ATOM 591 O VAL A 39 -11.971 5.469 5.555 1.00 0.00 O ATOM 592 CB VAL A 39 -11.926 5.276 2.716 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.390 6.646 3.192 1.00 0.00 C ATOM 594 CG2 VAL A 39 -11.494 5.324 1.260 1.00 0.00 C ATOM 0 H VAL A 39 -10.941 2.813 2.776 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.962 5.428 3.681 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.771 4.592 2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.189 7.005 2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.759 6.570 4.215 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.554 7.345 3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.311 5.711 0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.626 5.976 1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.235 4.320 0.924 1.00 0.00 H new ATOM 604 N ASP A 40 -11.243 3.360 5.582 1.00 0.00 N ATOM 605 CA ASP A 40 -11.792 3.122 6.917 1.00 0.00 C ATOM 606 C ASP A 40 -10.716 2.673 7.907 1.00 0.00 C ATOM 607 O ASP A 40 -11.029 2.238 9.015 1.00 0.00 O ATOM 608 CB ASP A 40 -12.902 2.070 6.851 1.00 0.00 C ATOM 609 CG ASP A 40 -14.051 2.498 5.960 1.00 0.00 C ATOM 610 OD1 ASP A 40 -14.670 3.544 6.250 1.00 0.00 O ATOM 611 OD2 ASP A 40 -14.330 1.789 4.971 1.00 0.00 O ATOM 0 H ASP A 40 -10.764 2.562 5.164 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.201 4.068 7.273 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.488 1.132 6.481 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.277 1.878 7.856 1.00 0.00 H new ATOM 616 N GLY A 41 -9.451 2.774 7.508 1.00 0.00 N ATOM 617 CA GLY A 41 -8.367 2.366 8.385 1.00 0.00 C ATOM 618 C GLY A 41 -7.942 3.461 9.348 1.00 0.00 C ATOM 619 O GLY A 41 -8.485 4.566 9.324 1.00 0.00 O ATOM 0 H GLY A 41 -9.158 3.129 6.598 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.677 1.489 8.954 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.510 2.068 7.781 1.00 0.00 H new ATOM 623 N GLU A 42 -6.961 3.152 10.193 1.00 0.00 N ATOM 624 CA GLU A 42 -6.450 4.113 11.165 1.00 0.00 C ATOM 625 C GLU A 42 -5.104 4.662 10.701 1.00 0.00 C ATOM 626 O GLU A 42 -4.085 3.975 10.777 1.00 0.00 O ATOM 627 CB GLU A 42 -6.303 3.463 12.546 1.00 0.00 C ATOM 628 CG GLU A 42 -7.606 2.927 13.116 1.00 0.00 C ATOM 629 CD GLU A 42 -8.080 1.661 12.425 1.00 0.00 C ATOM 630 OE1 GLU A 42 -7.330 1.122 11.586 1.00 0.00 O ATOM 631 OE2 GLU A 42 -9.199 1.201 12.737 1.00 0.00 O ATOM 0 H GLU A 42 -6.504 2.241 10.223 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.163 4.934 11.244 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.584 2.646 12.478 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.888 4.195 13.239 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.476 2.727 14.179 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.377 3.693 13.028 1.00 0.00 H new ATOM 638 N TRP A 43 -5.112 5.891 10.197 1.00 0.00 N ATOM 639 CA TRP A 43 -3.896 6.517 9.692 1.00 0.00 C ATOM 640 C TRP A 43 -3.207 7.389 10.735 1.00 0.00 C ATOM 641 O TRP A 43 -3.767 8.383 11.197 1.00 0.00 O ATOM 642 CB TRP A 43 -4.224 7.370 8.468 1.00 0.00 C ATOM 643 CG TRP A 43 -4.788 6.588 7.326 1.00 0.00 C ATOM 644 CD1 TRP A 43 -5.856 5.739 7.352 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.306 6.587 5.981 1.00 0.00 C ATOM 646 NE1 TRP A 43 -6.068 5.210 6.101 1.00 0.00 N ATOM 647 CE2 TRP A 43 -5.128 5.717 5.242 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.257 7.241 5.331 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -4.933 5.486 3.883 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.063 7.011 3.986 1.00 0.00 C ATOM 651 CH2 TRP A 43 -3.898 6.141 3.274 1.00 0.00 C ATOM 0 H TRP A 43 -5.947 6.473 10.127 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.211 5.712 9.428 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.937 8.143 8.755 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.318 7.878 8.137 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.448 5.515 8.227 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.804 4.549 5.853 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.610 7.915 5.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.574 4.815 3.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.254 7.510 3.473 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.721 5.984 2.220 1.00 0.00 H new ATOM 662 N THR A 44 -1.973 7.025 11.076 1.00 0.00 N ATOM 663 CA THR A 44 -1.184 7.787 12.036 1.00 0.00 C ATOM 664 C THR A 44 -0.014 8.458 11.319 1.00 0.00 C ATOM 665 O THR A 44 0.616 7.852 10.450 1.00 0.00 O ATOM 666 CB THR A 44 -0.676 6.878 13.155 1.00 0.00 C ATOM 667 OG1 THR A 44 0.067 5.797 12.624 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.784 6.299 14.006 1.00 0.00 C ATOM 0 H THR A 44 -1.498 6.204 10.700 1.00 0.00 H new ATOM 0 HA THR A 44 -1.815 8.555 12.484 1.00 0.00 H new ATOM 0 HB THR A 44 -0.053 7.515 13.783 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.792 6.143 12.063 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.354 5.664 14.780 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.346 7.109 14.471 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.452 5.707 13.380 1.00 0.00 H new ATOM 676 N TYR A 45 0.264 9.712 11.664 1.00 0.00 N ATOM 677 CA TYR A 45 1.347 10.454 11.023 1.00 0.00 C ATOM 678 C TYR A 45 2.510 10.694 11.982 1.00 0.00 C ATOM 679 O TYR A 45 2.311 10.886 13.182 1.00 0.00 O ATOM 680 CB TYR A 45 0.820 11.790 10.493 1.00 0.00 C ATOM 681 CG TYR A 45 1.824 12.563 9.666 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.686 11.910 8.794 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.907 13.948 9.755 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.602 12.614 8.035 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.820 14.658 8.998 1.00 0.00 C ATOM 686 CZ TYR A 45 3.664 13.987 8.140 1.00 0.00 C ATOM 687 OH TYR A 45 4.573 14.691 7.385 1.00 0.00 O ATOM 0 H TYR A 45 -0.242 10.234 12.380 1.00 0.00 H new ATOM 0 HA TYR A 45 1.719 9.853 10.193 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.068 11.605 9.888 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.508 12.406 11.336 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.640 10.834 8.708 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.247 14.478 10.426 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.266 12.091 7.363 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.872 15.734 9.079 1.00 0.00 H new ATOM 0 HH TYR A 45 4.203 14.850 6.492 1.00 0.00 H new ATOM 697 N ASP A 46 3.725 10.688 11.438 1.00 0.00 N ATOM 698 CA ASP A 46 4.929 10.912 12.232 1.00 0.00 C ATOM 699 C ASP A 46 5.727 12.093 11.679 1.00 0.00 C ATOM 700 O ASP A 46 6.684 11.912 10.927 1.00 0.00 O ATOM 701 CB ASP A 46 5.798 9.651 12.245 1.00 0.00 C ATOM 702 CG ASP A 46 7.053 9.821 13.079 1.00 0.00 C ATOM 703 OD1 ASP A 46 7.868 10.710 12.753 1.00 0.00 O ATOM 704 OD2 ASP A 46 7.223 9.063 14.058 1.00 0.00 O ATOM 0 H ASP A 46 3.901 10.530 10.446 1.00 0.00 H new ATOM 0 HA ASP A 46 4.628 11.145 13.253 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.216 8.816 12.636 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.077 9.395 11.223 1.00 0.00 H new ATOM 709 N ASP A 47 5.315 13.301 12.050 1.00 0.00 N ATOM 710 CA ASP A 47 5.974 14.524 11.592 1.00 0.00 C ATOM 711 C ASP A 47 7.496 14.423 11.698 1.00 0.00 C ATOM 712 O ASP A 47 8.223 14.966 10.866 1.00 0.00 O ATOM 713 CB ASP A 47 5.484 15.723 12.405 1.00 0.00 C ATOM 714 CG ASP A 47 3.985 15.924 12.298 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.498 16.159 11.171 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.299 15.846 13.338 1.00 0.00 O ATOM 0 H ASP A 47 4.522 13.462 12.671 1.00 0.00 H new ATOM 0 HA ASP A 47 5.716 14.660 10.542 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.755 15.583 13.452 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.993 16.623 12.062 1.00 0.00 H new ATOM 721 N ALA A 48 7.969 13.744 12.738 1.00 0.00 N ATOM 722 CA ALA A 48 9.403 13.592 12.970 1.00 0.00 C ATOM 723 C ALA A 48 10.144 13.119 11.720 1.00 0.00 C ATOM 724 O ALA A 48 11.281 13.522 11.476 1.00 0.00 O ATOM 725 CB ALA A 48 9.649 12.632 14.124 1.00 0.00 C ATOM 0 H ALA A 48 7.380 13.289 13.435 1.00 0.00 H new ATOM 0 HA ALA A 48 9.797 14.575 13.226 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.722 12.527 14.287 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.181 13.022 15.028 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.221 11.658 13.885 1.00 0.00 H new ATOM 731 N THR A 49 9.503 12.260 10.936 1.00 0.00 N ATOM 732 CA THR A 49 10.121 11.740 9.719 1.00 0.00 C ATOM 733 C THR A 49 9.214 11.912 8.503 1.00 0.00 C ATOM 734 O THR A 49 9.431 11.280 7.469 1.00 0.00 O ATOM 735 CB THR A 49 10.473 10.262 9.896 1.00 0.00 C ATOM 736 OG1 THR A 49 9.312 9.501 10.178 1.00 0.00 O ATOM 737 CG2 THR A 49 11.468 10.013 11.009 1.00 0.00 C ATOM 0 H THR A 49 8.562 11.910 11.118 1.00 0.00 H new ATOM 0 HA THR A 49 11.030 12.315 9.543 1.00 0.00 H new ATOM 0 HB THR A 49 10.925 9.957 8.952 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.927 9.795 11.030 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.674 8.945 11.081 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.394 10.547 10.796 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.054 10.367 11.953 1.00 0.00 H new ATOM 745 N LYS A 50 8.194 12.758 8.626 1.00 0.00 N ATOM 746 CA LYS A 50 7.263 12.986 7.524 1.00 0.00 C ATOM 747 C LYS A 50 6.729 11.652 7.005 1.00 0.00 C ATOM 748 O LYS A 50 6.461 11.496 5.812 1.00 0.00 O ATOM 749 CB LYS A 50 7.957 13.739 6.386 1.00 0.00 C ATOM 750 CG LYS A 50 8.504 15.101 6.786 1.00 0.00 C ATOM 751 CD LYS A 50 7.393 16.068 7.164 1.00 0.00 C ATOM 752 CE LYS A 50 6.431 16.294 6.011 1.00 0.00 C ATOM 753 NZ LYS A 50 5.365 17.273 6.365 1.00 0.00 N ATOM 0 H LYS A 50 7.992 13.293 9.471 1.00 0.00 H new ATOM 0 HA LYS A 50 6.432 13.588 7.892 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.776 13.128 6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.250 13.870 5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.187 14.985 7.628 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.082 15.517 5.961 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.847 15.678 8.023 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.827 17.020 7.468 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.982 16.655 5.143 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.974 15.346 5.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.979 17.695 5.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.604 16.787 6.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.767 18.022 6.965 1.00 0.00 H new ATOM 767 N THR A 51 6.604 10.686 7.911 1.00 0.00 N ATOM 768 CA THR A 51 6.132 9.355 7.551 1.00 0.00 C ATOM 769 C THR A 51 4.747 9.073 8.128 1.00 0.00 C ATOM 770 O THR A 51 4.389 9.576 9.194 1.00 0.00 O ATOM 771 CB THR A 51 7.130 8.304 8.048 1.00 0.00 C ATOM 772 OG1 THR A 51 8.413 8.531 7.493 1.00 0.00 O ATOM 773 CG2 THR A 51 6.734 6.881 7.713 1.00 0.00 C ATOM 0 H THR A 51 6.824 10.802 8.900 1.00 0.00 H new ATOM 0 HA THR A 51 6.054 9.306 6.465 1.00 0.00 H new ATOM 0 HB THR A 51 7.138 8.412 9.133 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.009 8.889 8.183 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.488 6.194 8.096 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.771 6.654 8.170 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.658 6.770 6.631 1.00 0.00 H new ATOM 781 N PHE A 52 3.984 8.247 7.419 1.00 0.00 N ATOM 782 CA PHE A 52 2.644 7.866 7.850 1.00 0.00 C ATOM 783 C PHE A 52 2.571 6.356 8.053 1.00 0.00 C ATOM 784 O PHE A 52 3.027 5.595 7.210 1.00 0.00 O ATOM 785 CB PHE A 52 1.602 8.282 6.807 1.00 0.00 C ATOM 786 CG PHE A 52 1.603 9.748 6.483 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.601 10.296 5.693 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.599 10.577 6.956 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.599 11.641 5.382 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.589 11.925 6.647 1.00 0.00 C ATOM 791 CZ PHE A 52 1.590 12.457 5.859 1.00 0.00 C ATOM 0 H PHE A 52 4.274 7.826 6.536 1.00 0.00 H new ATOM 0 HA PHE A 52 2.431 8.375 8.790 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.778 7.719 5.890 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.612 8.002 7.168 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.390 9.663 5.316 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.186 10.166 7.574 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.384 12.055 4.767 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.200 12.560 7.021 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.585 13.509 5.616 1.00 0.00 H new ATOM 801 N THR A 53 1.987 5.921 9.161 1.00 0.00 N ATOM 802 CA THR A 53 1.861 4.493 9.428 1.00 0.00 C ATOM 803 C THR A 53 0.414 4.031 9.353 1.00 0.00 C ATOM 804 O THR A 53 -0.322 4.076 10.340 1.00 0.00 O ATOM 805 CB THR A 53 2.471 4.116 10.777 1.00 0.00 C ATOM 806 OG1 THR A 53 2.191 5.098 11.758 1.00 0.00 O ATOM 807 CG2 THR A 53 3.968 3.910 10.720 1.00 0.00 C ATOM 0 H THR A 53 1.597 6.527 9.883 1.00 0.00 H new ATOM 0 HA THR A 53 2.420 3.978 8.647 1.00 0.00 H new ATOM 0 HB THR A 53 2.007 3.167 11.046 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.470 4.781 12.341 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.337 3.645 11.711 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.198 3.107 10.020 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.449 4.830 10.388 1.00 0.00 H new ATOM 815 N VAL A 54 0.028 3.567 8.172 1.00 0.00 N ATOM 816 CA VAL A 54 -1.319 3.066 7.951 1.00 0.00 C ATOM 817 C VAL A 54 -1.399 1.624 8.426 1.00 0.00 C ATOM 818 O VAL A 54 -0.675 0.761 7.931 1.00 0.00 O ATOM 819 CB VAL A 54 -1.718 3.137 6.463 1.00 0.00 C ATOM 820 CG1 VAL A 54 -3.151 2.663 6.266 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.539 4.549 5.930 1.00 0.00 C ATOM 0 H VAL A 54 0.632 3.528 7.351 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.010 3.693 8.514 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.062 2.473 5.900 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.412 2.721 5.209 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.243 1.631 6.606 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.826 3.296 6.842 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.825 4.580 4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.168 5.235 6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.495 4.846 6.031 1.00 0.00 H new ATOM 831 N THR A 55 -2.251 1.369 9.408 1.00 0.00 N ATOM 832 CA THR A 55 -2.374 0.029 9.960 1.00 0.00 C ATOM 833 C THR A 55 -3.339 -0.830 9.151 1.00 0.00 C ATOM 834 O THR A 55 -4.179 -0.322 8.412 1.00 0.00 O ATOM 835 CB THR A 55 -2.819 0.085 11.420 1.00 0.00 C ATOM 836 OG1 THR A 55 -2.052 1.037 12.139 1.00 0.00 O ATOM 837 CG2 THR A 55 -2.668 -1.243 12.128 1.00 0.00 C ATOM 0 H THR A 55 -2.862 2.065 9.835 1.00 0.00 H new ATOM 0 HA THR A 55 -1.389 -0.434 9.906 1.00 0.00 H new ATOM 0 HB THR A 55 -3.873 0.360 11.398 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.351 1.061 13.072 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.999 -1.144 13.162 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.274 -1.995 11.623 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.622 -1.548 12.110 1.00 0.00 H new ATOM 845 N GLU A 56 -3.205 -2.138 9.322 1.00 0.00 N ATOM 846 CA GLU A 56 -4.058 -3.099 8.628 1.00 0.00 C ATOM 847 C GLU A 56 -5.510 -2.971 9.074 1.00 0.00 C ATOM 848 O GLU A 56 -6.327 -3.830 8.681 1.00 0.00 O ATOM 849 CB GLU A 56 -3.559 -4.526 8.853 1.00 0.00 C ATOM 850 CG GLU A 56 -3.182 -4.836 10.292 1.00 0.00 C ATOM 851 CD GLU A 56 -4.353 -4.751 11.255 1.00 0.00 C ATOM 852 OE1 GLU A 56 -4.846 -3.630 11.497 1.00 0.00 O ATOM 853 OE2 GLU A 56 -4.776 -5.808 11.767 1.00 0.00 O ATOM 854 OXT GLU A 56 -5.820 -2.013 9.813 1.00 0.00 O ATOM 0 H GLU A 56 -2.511 -2.562 9.938 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.009 -2.876 7.562 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.333 -5.224 8.534 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.691 -4.700 8.217 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.754 -5.837 10.340 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.406 -4.142 10.614 1.00 0.00 H new ATOM 862 N MET B 1 7.071 18.374 -2.435 1.00 0.00 N ATOM 863 CA MET B 1 7.519 17.663 -1.210 1.00 0.00 C ATOM 864 C MET B 1 7.162 16.180 -1.295 1.00 0.00 C ATOM 865 O MET B 1 6.049 15.822 -1.681 1.00 0.00 O ATOM 866 CB MET B 1 6.843 18.321 0.000 1.00 0.00 C ATOM 867 CG MET B 1 7.584 18.117 1.315 1.00 0.00 C ATOM 868 SD MET B 1 7.657 16.393 1.827 1.00 0.00 S ATOM 869 CE MET B 1 8.642 16.524 3.317 1.00 0.00 C ATOM 0 H1 MET B 1 7.852 18.953 -2.805 1.00 0.00 H new ATOM 0 H2 MET B 1 6.783 17.680 -3.154 1.00 0.00 H new ATOM 0 H3 MET B 1 6.264 18.988 -2.204 1.00 0.00 H new ATOM 0 HA MET B 1 8.602 17.733 -1.108 1.00 0.00 H new ATOM 0 HB2 MET B 1 6.747 19.390 -0.188 1.00 0.00 H new ATOM 0 HB3 MET B 1 5.833 17.923 0.099 1.00 0.00 H new ATOM 0 HG2 MET B 1 8.598 18.503 1.217 1.00 0.00 H new ATOM 0 HG3 MET B 1 7.095 18.701 2.095 1.00 0.00 H new ATOM 0 HE1 MET B 1 8.487 15.639 3.934 1.00 0.00 H new ATOM 0 HE2 MET B 1 9.696 16.601 3.051 1.00 0.00 H new ATOM 0 HE3 MET B 1 8.343 17.412 3.874 1.00 0.00 H new ATOM 881 N GLN B 2 8.111 15.321 -0.932 1.00 0.00 N ATOM 882 CA GLN B 2 7.897 13.879 -0.968 1.00 0.00 C ATOM 883 C GLN B 2 7.688 13.326 0.437 1.00 0.00 C ATOM 884 O GLN B 2 8.384 13.706 1.376 1.00 0.00 O ATOM 885 CB GLN B 2 9.086 13.180 -1.633 1.00 0.00 C ATOM 886 CG GLN B 2 8.934 11.669 -1.720 1.00 0.00 C ATOM 887 CD GLN B 2 10.125 10.999 -2.375 1.00 0.00 C ATOM 888 OE1 GLN B 2 11.255 11.112 -1.897 1.00 0.00 O ATOM 889 NE2 GLN B 2 9.881 10.299 -3.476 1.00 0.00 N ATOM 0 H GLN B 2 9.037 15.600 -0.609 1.00 0.00 H new ATOM 0 HA GLN B 2 6.998 13.685 -1.553 1.00 0.00 H new ATOM 0 HB2 GLN B 2 9.217 13.582 -2.638 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.993 13.414 -1.075 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.800 11.263 -0.717 1.00 0.00 H new ATOM 0 HG3 GLN B 2 8.032 11.430 -2.284 1.00 0.00 H new ATOM 0 HE21 GLN B 2 8.929 10.232 -3.837 1.00 0.00 H new ATOM 0 HE22 GLN B 2 10.645 9.828 -3.961 1.00 0.00 H new ATOM 898 N TYR B 3 6.731 12.417 0.570 1.00 0.00 N ATOM 899 CA TYR B 3 6.436 11.807 1.860 1.00 0.00 C ATOM 900 C TYR B 3 6.595 10.296 1.794 1.00 0.00 C ATOM 901 O TYR B 3 6.364 9.684 0.753 1.00 0.00 O ATOM 902 CB TYR B 3 5.014 12.160 2.299 1.00 0.00 C ATOM 903 CG TYR B 3 4.785 13.644 2.463 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.772 14.488 1.361 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.580 14.200 3.718 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.563 15.846 1.505 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.371 15.557 3.871 1.00 0.00 C ATOM 908 CZ TYR B 3 4.363 16.375 2.762 1.00 0.00 C ATOM 909 OH TYR B 3 4.156 17.727 2.911 1.00 0.00 O ATOM 0 H TYR B 3 6.147 12.086 -0.198 1.00 0.00 H new ATOM 0 HA TYR B 3 7.144 12.199 2.590 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.308 11.770 1.565 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.799 11.661 3.244 1.00 0.00 H new ATOM 0 HD1 TYR B 3 4.928 14.076 0.375 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.584 13.562 4.589 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.556 16.489 0.638 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.215 15.975 4.855 1.00 0.00 H new ATOM 0 HH TYR B 3 3.799 17.907 3.806 1.00 0.00 H new ATOM 919 N LYS B 4 6.987 9.698 2.912 1.00 0.00 N ATOM 920 CA LYS B 4 7.167 8.255 2.976 1.00 0.00 C ATOM 921 C LYS B 4 6.059 7.621 3.803 1.00 0.00 C ATOM 922 O LYS B 4 6.051 7.720 5.027 1.00 0.00 O ATOM 923 CB LYS B 4 8.535 7.911 3.570 1.00 0.00 C ATOM 924 CG LYS B 4 8.833 6.420 3.582 1.00 0.00 C ATOM 925 CD LYS B 4 10.214 6.132 4.146 1.00 0.00 C ATOM 926 CE LYS B 4 10.528 4.645 4.118 1.00 0.00 C ATOM 927 NZ LYS B 4 10.516 4.100 2.731 1.00 0.00 N ATOM 0 H LYS B 4 7.186 10.189 3.784 1.00 0.00 H new ATOM 0 HA LYS B 4 7.119 7.856 1.963 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.309 8.424 2.999 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.586 8.292 4.590 1.00 0.00 H new ATOM 0 HG2 LYS B 4 8.081 5.902 4.177 1.00 0.00 H new ATOM 0 HG3 LYS B 4 8.764 6.026 2.568 1.00 0.00 H new ATOM 0 HD2 LYS B 4 10.964 6.674 3.570 1.00 0.00 H new ATOM 0 HD3 LYS B 4 10.273 6.498 5.171 1.00 0.00 H new ATOM 0 HE2 LYS B 4 11.506 4.472 4.567 1.00 0.00 H new ATOM 0 HE3 LYS B 4 9.799 4.109 4.725 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 10.684 3.074 2.760 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 9.592 4.287 2.292 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 11.264 4.558 2.172 1.00 0.00 H new ATOM 941 N VAL B 5 5.115 6.980 3.125 1.00 0.00 N ATOM 942 CA VAL B 5 3.997 6.347 3.805 1.00 0.00 C ATOM 943 C VAL B 5 4.271 4.871 4.071 1.00 0.00 C ATOM 944 O VAL B 5 4.496 4.084 3.152 1.00 0.00 O ATOM 945 CB VAL B 5 2.691 6.494 2.997 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.529 5.826 3.718 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.391 7.964 2.739 1.00 0.00 C ATOM 0 H VAL B 5 5.103 6.886 2.109 1.00 0.00 H new ATOM 0 HA VAL B 5 3.877 6.858 4.760 1.00 0.00 H new ATOM 0 HB VAL B 5 2.823 5.994 2.037 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.620 5.943 3.129 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.743 4.765 3.848 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.391 6.291 4.694 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.467 8.052 2.168 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.281 8.485 3.690 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.210 8.409 2.174 1.00 0.00 H new ATOM 957 N ILE B 6 4.247 4.516 5.349 1.00 0.00 N ATOM 958 CA ILE B 6 4.485 3.149 5.783 1.00 0.00 C ATOM 959 C ILE B 6 3.168 2.406 5.986 1.00 0.00 C ATOM 960 O ILE B 6 2.294 2.857 6.727 1.00 0.00 O ATOM 961 CB ILE B 6 5.301 3.117 7.094 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.693 3.708 6.863 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.404 1.698 7.636 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.553 3.736 8.108 1.00 0.00 C ATOM 0 H ILE B 6 4.062 5.168 6.112 1.00 0.00 H new ATOM 0 HA ILE B 6 5.057 2.653 4.999 1.00 0.00 H new ATOM 0 HB ILE B 6 4.782 3.723 7.837 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.202 3.128 6.093 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.589 4.723 6.481 1.00 0.00 H new ATOM 0 HG21 ILE B 6 5.983 1.702 8.559 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.405 1.312 7.836 1.00 0.00 H new ATOM 0 HG23 ILE B 6 5.898 1.063 6.901 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.525 4.168 7.869 1.00 0.00 H new ATOM 0 HD12 ILE B 6 7.066 4.340 8.873 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.688 2.720 8.480 1.00 0.00 H new ATOM 976 N LEU B 7 3.039 1.263 5.326 1.00 0.00 N ATOM 977 CA LEU B 7 1.839 0.445 5.432 1.00 0.00 C ATOM 978 C LEU B 7 2.127 -0.769 6.312 1.00 0.00 C ATOM 979 O LEU B 7 2.639 -1.782 5.836 1.00 0.00 O ATOM 980 CB LEU B 7 1.388 0.009 4.036 1.00 0.00 C ATOM 981 CG LEU B 7 1.409 1.114 2.983 1.00 0.00 C ATOM 982 CD1 LEU B 7 0.932 0.578 1.643 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.553 2.288 3.436 1.00 0.00 C ATOM 0 H LEU B 7 3.755 0.880 4.709 1.00 0.00 H new ATOM 0 HA LEU B 7 1.036 1.024 5.889 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.029 -0.806 3.700 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.376 -0.389 4.104 1.00 0.00 H new ATOM 0 HG LEU B 7 2.434 1.465 2.861 1.00 0.00 H new ATOM 0 HD11 LEU B 7 0.953 1.378 0.903 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.587 -0.231 1.321 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.086 0.203 1.743 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.576 3.070 2.677 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.474 1.954 3.582 1.00 0.00 H new ATOM 0 HD23 LEU B 7 0.943 2.682 4.374 1.00 0.00 H new ATOM 995 N ASN B 8 1.833 -0.645 7.605 1.00 0.00 N ATOM 996 CA ASN B 8 2.106 -1.718 8.560 1.00 0.00 C ATOM 997 C ASN B 8 0.859 -2.533 8.897 1.00 0.00 C ATOM 998 O ASN B 8 -0.043 -2.054 9.585 1.00 0.00 O ATOM 999 CB ASN B 8 2.680 -1.117 9.844 1.00 0.00 C ATOM 1000 CG ASN B 8 3.227 -2.167 10.790 1.00 0.00 C ATOM 1001 OD1 ASN B 8 2.538 -3.124 11.143 1.00 0.00 O ATOM 1002 ND2 ASN B 8 4.468 -1.978 11.219 1.00 0.00 N ATOM 0 H ASN B 8 1.407 0.186 8.015 1.00 0.00 H new ATOM 0 HA ASN B 8 2.823 -2.395 8.095 1.00 0.00 H new ATOM 0 HB2 ASN B 8 3.474 -0.416 9.588 1.00 0.00 H new ATOM 0 HB3 ASN B 8 1.903 -0.546 10.352 1.00 0.00 H new ATOM 0 HD21 ASN B 8 4.889 -2.641 11.869 1.00 0.00 H new ATOM 0 HD22 ASN B 8 5.001 -1.169 10.898 1.00 0.00 H new ATOM 1009 N GLY B 9 0.819 -3.775 8.422 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.315 -4.634 8.701 1.00 0.00 C ATOM 1011 C GLY B 9 0.072 -5.875 9.479 1.00 0.00 C ATOM 1012 O GLY B 9 1.173 -5.962 10.022 1.00 0.00 O ATOM 0 H GLY B 9 1.550 -4.199 7.851 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -1.060 -4.074 9.265 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.782 -4.930 7.762 1.00 0.00 H new ATOM 1016 N LYS B 10 -0.841 -6.840 9.531 1.00 0.00 N ATOM 1017 CA LYS B 10 -0.598 -8.085 10.244 1.00 0.00 C ATOM 1018 C LYS B 10 0.242 -9.040 9.401 1.00 0.00 C ATOM 1019 O LYS B 10 1.309 -9.487 9.825 1.00 0.00 O ATOM 1020 CB LYS B 10 -1.923 -8.756 10.618 1.00 0.00 C ATOM 1021 CG LYS B 10 -2.632 -8.111 11.801 1.00 0.00 C ATOM 1022 CD LYS B 10 -1.870 -8.302 13.104 1.00 0.00 C ATOM 1023 CE LYS B 10 -1.977 -9.730 13.614 1.00 0.00 C ATOM 1024 NZ LYS B 10 -1.161 -10.684 12.814 1.00 0.00 N ATOM 0 H LYS B 10 -1.757 -6.781 9.086 1.00 0.00 H new ATOM 0 HA LYS B 10 -0.048 -7.847 11.155 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.587 -8.733 9.754 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -1.735 -9.805 10.848 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -2.758 -7.045 11.609 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -3.630 -8.538 11.900 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -0.821 -8.047 12.953 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -2.259 -7.617 13.857 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -1.655 -9.766 14.655 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -3.021 -10.043 13.592 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -0.667 -11.339 13.453 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -1.782 -11.223 12.177 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -0.463 -10.157 12.252 1.00 0.00 H new ATOM 1038 N THR B 11 -0.255 -9.359 8.211 1.00 0.00 N ATOM 1039 CA THR B 11 0.422 -10.264 7.303 1.00 0.00 C ATOM 1040 C THR B 11 1.099 -9.507 6.169 1.00 0.00 C ATOM 1041 O THR B 11 1.656 -10.115 5.255 1.00 0.00 O ATOM 1042 CB THR B 11 -0.591 -11.248 6.724 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.779 -10.570 6.353 1.00 0.00 O ATOM 1044 CG2 THR B 11 -0.973 -12.357 7.678 1.00 0.00 C ATOM 0 H THR B 11 -1.138 -8.995 7.853 1.00 0.00 H new ATOM 0 HA THR B 11 1.191 -10.798 7.861 1.00 0.00 H new ATOM 0 HB THR B 11 -0.099 -11.697 5.861 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.557 -11.095 6.634 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.696 -13.017 7.198 1.00 0.00 H new ATOM 0 HG22 THR B 11 -0.084 -12.927 7.948 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.415 -11.927 8.577 1.00 0.00 H new ATOM 1052 N LEU B 12 1.043 -8.182 6.222 1.00 0.00 N ATOM 1053 CA LEU B 12 1.647 -7.369 5.184 1.00 0.00 C ATOM 1054 C LEU B 12 2.387 -6.173 5.766 1.00 0.00 C ATOM 1055 O LEU B 12 1.907 -5.513 6.687 1.00 0.00 O ATOM 1056 CB LEU B 12 0.582 -6.907 4.190 1.00 0.00 C ATOM 1057 CG LEU B 12 1.107 -6.055 3.040 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.296 -6.739 2.392 1.00 0.00 C ATOM 1059 CD2 LEU B 12 0.009 -5.797 2.018 1.00 0.00 C ATOM 0 H LEU B 12 0.589 -7.655 6.968 1.00 0.00 H new ATOM 0 HA LEU B 12 2.379 -7.985 4.661 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.086 -7.785 3.776 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.175 -6.338 4.729 1.00 0.00 H new ATOM 0 HG LEU B 12 1.430 -5.092 3.435 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.666 -6.125 1.571 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.086 -6.872 3.131 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.991 -7.712 2.008 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.404 -5.187 1.205 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.347 -6.747 1.619 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.818 -5.272 2.497 1.00 0.00 H new ATOM 1071 N LYS B 13 3.556 -5.899 5.204 1.00 0.00 N ATOM 1072 CA LYS B 13 4.382 -4.779 5.635 1.00 0.00 C ATOM 1073 C LYS B 13 5.107 -4.180 4.437 1.00 0.00 C ATOM 1074 O LYS B 13 5.513 -4.904 3.529 1.00 0.00 O ATOM 1075 CB LYS B 13 5.392 -5.238 6.690 1.00 0.00 C ATOM 1076 CG LYS B 13 4.743 -5.794 7.948 1.00 0.00 C ATOM 1077 CD LYS B 13 5.782 -6.288 8.942 1.00 0.00 C ATOM 1078 CE LYS B 13 6.616 -7.421 8.363 1.00 0.00 C ATOM 1079 NZ LYS B 13 7.611 -7.934 9.342 1.00 0.00 N ATOM 0 H LYS B 13 3.957 -6.443 4.440 1.00 0.00 H new ATOM 0 HA LYS B 13 3.741 -4.017 6.079 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.038 -6.001 6.256 1.00 0.00 H new ATOM 0 HB3 LYS B 13 6.030 -4.397 6.961 1.00 0.00 H new ATOM 0 HG2 LYS B 13 4.131 -5.022 8.414 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.075 -6.613 7.682 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.435 -5.463 9.227 1.00 0.00 H new ATOM 0 HD3 LYS B 13 5.285 -6.629 9.850 1.00 0.00 H new ATOM 0 HE2 LYS B 13 5.959 -8.234 8.053 1.00 0.00 H new ATOM 0 HE3 LYS B 13 7.133 -7.071 7.469 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 8.159 -8.705 8.909 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 8.254 -7.165 9.619 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 7.117 -8.292 10.184 1.00 0.00 H new ATOM 1093 N GLY B 14 5.269 -2.861 4.427 1.00 0.00 N ATOM 1094 CA GLY B 14 5.948 -2.226 3.313 1.00 0.00 C ATOM 1095 C GLY B 14 6.148 -0.736 3.498 1.00 0.00 C ATOM 1096 O GLY B 14 5.834 -0.179 4.549 1.00 0.00 O ATOM 0 H GLY B 14 4.947 -2.228 5.159 1.00 0.00 H new ATOM 0 HA2 GLY B 14 6.919 -2.700 3.172 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.374 -2.397 2.402 1.00 0.00 H new ATOM 1100 N GLU B 15 6.668 -0.095 2.454 1.00 0.00 N ATOM 1101 CA GLU B 15 6.913 1.339 2.474 1.00 0.00 C ATOM 1102 C GLU B 15 6.568 1.949 1.121 1.00 0.00 C ATOM 1103 O GLU B 15 6.911 1.401 0.075 1.00 0.00 O ATOM 1104 CB GLU B 15 8.372 1.644 2.825 1.00 0.00 C ATOM 1105 CG GLU B 15 8.848 1.008 4.123 1.00 0.00 C ATOM 1106 CD GLU B 15 9.447 -0.373 3.920 1.00 0.00 C ATOM 1107 OE1 GLU B 15 8.746 -1.259 3.391 1.00 0.00 O ATOM 1108 OE2 GLU B 15 10.624 -0.567 4.292 1.00 0.00 O ATOM 0 H GLU B 15 6.928 -0.552 1.580 1.00 0.00 H new ATOM 0 HA GLU B 15 6.276 1.780 3.241 1.00 0.00 H new ATOM 0 HB2 GLU B 15 9.009 1.300 2.010 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.499 2.724 2.895 1.00 0.00 H new ATOM 0 HG2 GLU B 15 9.591 1.656 4.588 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.009 0.936 4.816 1.00 0.00 H new ATOM 1115 N THR B 16 5.886 3.085 1.152 1.00 0.00 N ATOM 1116 CA THR B 16 5.485 3.775 -0.068 1.00 0.00 C ATOM 1117 C THR B 16 5.745 5.276 0.043 1.00 0.00 C ATOM 1118 O THR B 16 6.033 5.781 1.125 1.00 0.00 O ATOM 1119 CB THR B 16 4.013 3.488 -0.371 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.484 4.468 -1.228 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.136 3.422 0.860 1.00 0.00 C ATOM 0 H THR B 16 5.597 3.551 2.012 1.00 0.00 H new ATOM 0 HA THR B 16 6.087 3.400 -0.896 1.00 0.00 H new ATOM 0 HB THR B 16 4.006 2.504 -0.841 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.628 4.158 -1.590 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.108 3.215 0.563 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.491 2.628 1.517 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.177 4.375 1.387 1.00 0.00 H new ATOM 1129 N THR B 17 5.671 5.986 -1.086 1.00 0.00 N ATOM 1130 CA THR B 17 5.933 7.425 -1.088 1.00 0.00 C ATOM 1131 C THR B 17 5.035 8.202 -2.056 1.00 0.00 C ATOM 1132 O THR B 17 5.075 7.990 -3.268 1.00 0.00 O ATOM 1133 CB THR B 17 7.396 7.688 -1.436 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.732 7.086 -2.674 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.365 7.171 -0.394 1.00 0.00 C ATOM 0 H THR B 17 5.435 5.594 -1.998 1.00 0.00 H new ATOM 0 HA THR B 17 5.707 7.781 -0.083 1.00 0.00 H new ATOM 0 HB THR B 17 7.490 8.773 -1.485 1.00 0.00 H new ATOM 0 HG1 THR B 17 6.952 7.101 -3.268 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.386 7.392 -0.705 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.164 7.655 0.562 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.243 6.093 -0.287 1.00 0.00 H new ATOM 1143 N THR B 18 4.247 9.122 -1.502 1.00 0.00 N ATOM 1144 CA THR B 18 3.352 9.970 -2.291 1.00 0.00 C ATOM 1145 C THR B 18 3.895 11.399 -2.338 1.00 0.00 C ATOM 1146 O THR B 18 4.462 11.886 -1.361 1.00 0.00 O ATOM 1147 CB THR B 18 1.948 9.972 -1.680 1.00 0.00 C ATOM 1148 OG1 THR B 18 1.050 10.690 -2.505 1.00 0.00 O ATOM 1149 CG2 THR B 18 1.896 10.588 -0.299 1.00 0.00 C ATOM 0 H THR B 18 4.210 9.301 -0.498 1.00 0.00 H new ATOM 0 HA THR B 18 3.297 9.572 -3.304 1.00 0.00 H new ATOM 0 HB THR B 18 1.663 8.923 -1.600 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.292 10.557 -3.445 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.873 10.557 0.075 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.545 10.028 0.374 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.233 11.623 -0.350 1.00 0.00 H new ATOM 1157 N GLU B 19 3.711 12.069 -3.470 1.00 0.00 N ATOM 1158 CA GLU B 19 4.175 13.447 -3.634 1.00 0.00 C ATOM 1159 C GLU B 19 2.999 14.411 -3.509 1.00 0.00 C ATOM 1160 O GLU B 19 2.093 14.398 -4.342 1.00 0.00 O ATOM 1161 CB GLU B 19 4.842 13.618 -5.001 1.00 0.00 C ATOM 1162 CG GLU B 19 5.361 15.023 -5.259 1.00 0.00 C ATOM 1163 CD GLU B 19 6.521 15.396 -4.355 1.00 0.00 C ATOM 1164 OE1 GLU B 19 6.965 14.530 -3.572 1.00 0.00 O ATOM 1165 OE2 GLU B 19 6.990 16.550 -4.437 1.00 0.00 O ATOM 0 H GLU B 19 3.244 11.682 -4.290 1.00 0.00 H new ATOM 0 HA GLU B 19 4.903 13.668 -2.854 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.671 12.914 -5.081 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.125 13.357 -5.780 1.00 0.00 H new ATOM 0 HG2 GLU B 19 5.676 15.104 -6.299 1.00 0.00 H new ATOM 0 HG3 GLU B 19 4.550 15.737 -5.115 1.00 0.00 H new ATOM 1172 N ALA B 20 2.995 15.237 -2.464 1.00 0.00 N ATOM 1173 CA ALA B 20 1.901 16.180 -2.258 1.00 0.00 C ATOM 1174 C ALA B 20 2.364 17.472 -1.583 1.00 0.00 C ATOM 1175 O ALA B 20 3.354 17.491 -0.853 1.00 0.00 O ATOM 1176 CB ALA B 20 0.799 15.523 -1.444 1.00 0.00 C ATOM 0 H ALA B 20 3.728 15.272 -1.756 1.00 0.00 H new ATOM 0 HA ALA B 20 1.516 16.455 -3.240 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -0.015 16.233 -1.294 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.425 14.649 -1.977 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.195 15.215 -0.476 1.00 0.00 H new ATOM 1182 N VAL B 21 1.640 18.551 -1.863 1.00 0.00 N ATOM 1183 CA VAL B 21 1.956 19.874 -1.323 1.00 0.00 C ATOM 1184 C VAL B 21 2.136 19.852 0.197 1.00 0.00 C ATOM 1185 O VAL B 21 2.975 20.576 0.736 1.00 0.00 O ATOM 1186 CB VAL B 21 0.850 20.886 -1.672 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.264 22.294 -1.272 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.510 20.818 -3.152 1.00 0.00 C ATOM 0 H VAL B 21 0.819 18.536 -2.469 1.00 0.00 H new ATOM 0 HA VAL B 21 2.898 20.175 -1.781 1.00 0.00 H new ATOM 0 HB VAL B 21 -0.045 20.625 -1.107 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.468 22.994 -1.527 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.446 22.328 -0.198 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.175 22.570 -1.804 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -0.274 21.541 -3.379 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.398 21.049 -3.740 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.162 19.815 -3.400 1.00 0.00 H new ATOM 1198 N ASP B 22 1.356 19.023 0.880 1.00 0.00 N ATOM 1199 CA ASP B 22 1.453 18.927 2.335 1.00 0.00 C ATOM 1200 C ASP B 22 1.123 17.521 2.823 1.00 0.00 C ATOM 1201 O ASP B 22 0.692 16.667 2.047 1.00 0.00 O ATOM 1202 CB ASP B 22 0.539 19.957 3.006 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.930 19.684 2.766 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -1.430 18.657 3.265 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.582 20.498 2.079 1.00 0.00 O ATOM 0 H ASP B 22 0.656 18.413 0.458 1.00 0.00 H new ATOM 0 HA ASP B 22 2.484 19.143 2.613 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.732 19.963 4.079 1.00 0.00 H new ATOM 0 HB3 ASP B 22 0.785 20.951 2.633 1.00 0.00 H new ATOM 1210 N ALA B 23 1.338 17.282 4.115 1.00 0.00 N ATOM 1211 CA ALA B 23 1.074 15.978 4.710 1.00 0.00 C ATOM 1212 C ALA B 23 -0.379 15.567 4.524 1.00 0.00 C ATOM 1213 O ALA B 23 -0.670 14.418 4.196 1.00 0.00 O ATOM 1214 CB ALA B 23 1.445 15.984 6.185 1.00 0.00 C ATOM 0 H ALA B 23 1.695 17.978 4.770 1.00 0.00 H new ATOM 0 HA ALA B 23 1.694 15.243 4.196 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.242 15.003 6.615 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.505 16.215 6.293 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.854 16.738 6.706 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.288 16.510 4.728 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.709 16.234 4.568 1.00 0.00 C ATOM 1222 C ALA B 24 -2.999 15.839 3.132 1.00 0.00 C ATOM 1223 O ALA B 24 -3.530 14.762 2.868 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.539 17.441 4.978 1.00 0.00 C ATOM 0 H ALA B 24 -1.069 17.468 5.003 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.983 15.404 5.219 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.598 17.215 4.851 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.342 17.680 6.023 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.273 18.294 4.354 1.00 0.00 H new ATOM 1230 N THR B 25 -2.616 16.704 2.197 1.00 0.00 N ATOM 1231 CA THR B 25 -2.806 16.424 0.788 1.00 0.00 C ATOM 1232 C THR B 25 -2.228 15.056 0.470 1.00 0.00 C ATOM 1233 O THR B 25 -2.861 14.241 -0.199 1.00 0.00 O ATOM 1234 CB THR B 25 -2.139 17.511 -0.057 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.788 17.689 0.327 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.825 18.855 0.041 1.00 0.00 C ATOM 0 H THR B 25 -2.174 17.601 2.395 1.00 0.00 H new ATOM 0 HA THR B 25 -3.870 16.421 0.552 1.00 0.00 H new ATOM 0 HB THR B 25 -2.214 17.159 -1.086 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.623 17.218 1.170 1.00 0.00 H new ATOM 0 HG21 THR B 25 -2.300 19.578 -0.583 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.856 18.763 -0.300 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.814 19.194 1.077 1.00 0.00 H new ATOM 1244 N ALA B 26 -1.033 14.796 0.992 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.389 13.510 0.799 1.00 0.00 C ATOM 1246 C ALA B 26 -1.267 12.417 1.386 1.00 0.00 C ATOM 1247 O ALA B 26 -1.583 11.432 0.720 1.00 0.00 O ATOM 1248 CB ALA B 26 0.992 13.499 1.441 1.00 0.00 C ATOM 0 H ALA B 26 -0.496 15.460 1.550 1.00 0.00 H new ATOM 0 HA ALA B 26 -0.259 13.329 -0.268 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.458 12.526 1.285 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.610 14.274 0.988 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.898 13.689 2.510 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.673 12.608 2.643 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.531 11.651 3.328 1.00 0.00 C ATOM 1256 C GLU B 27 -3.755 11.319 2.485 1.00 0.00 C ATOM 1257 O GLU B 27 -4.066 10.150 2.260 1.00 0.00 O ATOM 1258 CB GLU B 27 -2.970 12.212 4.683 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.858 11.266 5.475 1.00 0.00 C ATOM 1260 CD GLU B 27 -4.272 11.837 6.817 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -3.865 12.976 7.132 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -5.004 11.145 7.557 1.00 0.00 O ATOM 0 H GLU B 27 -1.418 13.420 3.205 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.961 10.735 3.486 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -2.085 12.446 5.274 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.503 13.149 4.523 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.750 11.038 4.891 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -3.330 10.325 5.632 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.441 12.356 2.004 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.622 12.163 1.173 1.00 0.00 C ATOM 1271 C LYS B 28 -5.249 11.482 -0.135 1.00 0.00 C ATOM 1272 O LYS B 28 -5.910 10.536 -0.557 1.00 0.00 O ATOM 1273 CB LYS B 28 -6.314 13.502 0.916 1.00 0.00 C ATOM 1274 CG LYS B 28 -7.187 13.959 2.077 1.00 0.00 C ATOM 1275 CD LYS B 28 -6.518 13.701 3.418 1.00 0.00 C ATOM 1276 CE LYS B 28 -7.377 14.188 4.574 1.00 0.00 C ATOM 1277 NZ LYS B 28 -8.708 13.521 4.597 1.00 0.00 N ATOM 0 H LYS B 28 -4.198 13.332 2.176 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.320 11.514 1.702 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.558 14.262 0.717 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.928 13.420 0.019 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -7.400 15.023 1.975 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -8.143 13.437 2.041 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -6.326 12.634 3.530 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -5.551 14.203 3.446 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -6.860 13.999 5.515 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -7.513 15.267 4.496 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -8.925 13.213 5.566 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -9.437 14.189 4.274 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -8.693 12.694 3.967 1.00 0.00 H new ATOM 1291 N VAL B 29 -4.173 11.945 -0.761 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.717 11.340 -2.003 1.00 0.00 C ATOM 1293 C VAL B 29 -3.505 9.850 -1.791 1.00 0.00 C ATOM 1294 O VAL B 29 -3.874 9.031 -2.631 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.411 11.986 -2.507 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -1.906 11.281 -3.755 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.620 13.469 -2.779 1.00 0.00 C ATOM 0 H VAL B 29 -3.607 12.728 -0.433 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.483 11.505 -2.761 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.656 11.880 -1.728 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.984 11.754 -4.092 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.714 10.232 -3.528 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.658 11.350 -4.541 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.688 13.909 -3.134 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -3.392 13.594 -3.538 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.930 13.967 -1.860 1.00 0.00 H new ATOM 1307 N VAL B 30 -2.937 9.507 -0.641 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.714 8.115 -0.299 1.00 0.00 C ATOM 1309 C VAL B 30 -4.064 7.427 -0.134 1.00 0.00 C ATOM 1310 O VAL B 30 -4.296 6.355 -0.684 1.00 0.00 O ATOM 1311 CB VAL B 30 -1.894 7.964 0.994 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.521 6.505 1.218 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.650 8.841 0.948 1.00 0.00 C ATOM 0 H VAL B 30 -2.625 10.173 0.065 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.142 7.652 -1.104 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.507 8.293 1.833 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -0.941 6.415 2.137 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.428 5.906 1.301 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -0.926 6.148 0.377 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.085 8.719 1.872 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.029 8.548 0.101 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.944 9.885 0.838 1.00 0.00 H new ATOM 1323 N LYS B 31 -4.972 8.068 0.611 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.311 7.516 0.809 1.00 0.00 C ATOM 1325 C LYS B 31 -6.888 7.076 -0.522 1.00 0.00 C ATOM 1326 O LYS B 31 -7.382 5.960 -0.669 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.255 8.546 1.428 1.00 0.00 C ATOM 1328 CG LYS B 31 -6.925 8.914 2.859 1.00 0.00 C ATOM 1329 CD LYS B 31 -7.896 9.953 3.399 1.00 0.00 C ATOM 1330 CE LYS B 31 -9.231 9.332 3.786 1.00 0.00 C ATOM 1331 NZ LYS B 31 -10.016 8.894 2.598 1.00 0.00 N ATOM 0 H LYS B 31 -4.805 8.958 1.080 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.219 6.667 1.487 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.237 9.450 0.819 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.273 8.157 1.391 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -6.959 8.021 3.484 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -5.908 9.301 2.912 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -7.458 10.443 4.268 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -8.059 10.724 2.646 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -9.056 8.477 4.439 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -9.813 10.055 4.357 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -11.023 9.104 2.751 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -9.681 9.401 1.754 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -9.893 7.871 2.458 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.811 7.978 -1.493 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.315 7.714 -2.828 1.00 0.00 C ATOM 1347 C GLN B 32 -6.609 6.491 -3.403 1.00 0.00 C ATOM 1348 O GLN B 32 -7.215 5.669 -4.090 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.098 8.940 -3.710 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.992 8.982 -4.932 1.00 0.00 C ATOM 1351 CD GLN B 32 -8.006 10.352 -5.575 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -7.141 10.682 -6.388 1.00 0.00 O ATOM 1353 NE2 GLN B 32 -8.969 11.176 -5.175 1.00 0.00 N ATOM 0 H GLN B 32 -6.400 8.904 -1.376 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.385 7.508 -2.788 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.269 9.838 -3.116 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.057 8.964 -4.032 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.650 8.244 -5.658 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -9.007 8.704 -4.649 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -9.664 10.858 -4.499 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -9.013 12.126 -5.544 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.321 6.379 -3.091 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.503 5.256 -3.539 1.00 0.00 C ATOM 1364 C PHE B 33 -5.168 3.935 -3.142 1.00 0.00 C ATOM 1365 O PHE B 33 -5.592 3.155 -3.994 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.108 5.369 -2.907 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.087 4.434 -3.479 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.611 4.618 -4.766 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.596 3.375 -2.728 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.668 3.763 -5.295 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.652 2.518 -3.257 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.188 2.714 -4.542 1.00 0.00 C ATOM 0 H PHE B 33 -4.817 7.060 -2.523 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.407 5.278 -4.625 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.751 6.392 -3.026 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.192 5.183 -1.836 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -1.982 5.439 -5.361 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -1.956 3.220 -1.721 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.305 3.916 -6.301 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.277 1.695 -2.666 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.551 2.045 -4.957 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.265 3.714 -1.836 1.00 0.00 N ATOM 1383 CA PHE B 34 -5.890 2.510 -1.293 1.00 0.00 C ATOM 1384 C PHE B 34 -7.371 2.486 -1.628 1.00 0.00 C ATOM 1385 O PHE B 34 -7.928 1.446 -1.970 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.650 2.439 0.209 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.188 2.481 0.517 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.328 1.588 -0.098 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.667 3.431 1.377 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -1.974 1.640 0.137 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.310 3.481 1.624 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.463 2.585 0.997 1.00 0.00 C ATOM 0 H PHE B 34 -4.916 4.358 -1.127 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.439 1.629 -1.749 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.154 3.271 0.702 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.084 1.522 0.608 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.725 0.842 -0.770 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.326 4.138 1.858 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.313 0.940 -0.353 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -1.910 4.218 2.305 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.400 2.627 1.183 1.00 0.00 H new ATOM 1402 N ASN B 35 -7.997 3.650 -1.555 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.410 3.784 -1.881 1.00 0.00 C ATOM 1404 C ASN B 35 -9.689 3.146 -3.239 1.00 0.00 C ATOM 1405 O ASN B 35 -10.719 2.507 -3.450 1.00 0.00 O ATOM 1406 CB ASN B 35 -9.780 5.265 -1.927 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.246 5.498 -2.204 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.823 4.918 -3.122 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -11.848 6.379 -1.419 1.00 0.00 N ATOM 0 H ASN B 35 -7.547 4.520 -1.271 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.006 3.281 -1.120 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.517 5.729 -0.977 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.187 5.758 -2.697 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -12.833 6.602 -1.564 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.327 6.835 -0.670 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.746 3.344 -4.151 1.00 0.00 N ATOM 1417 CA ASP B 36 -8.847 2.811 -5.507 1.00 0.00 C ATOM 1418 C ASP B 36 -8.141 1.461 -5.652 1.00 0.00 C ATOM 1419 O ASP B 36 -8.460 0.690 -6.558 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.273 3.809 -6.512 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.012 5.133 -6.500 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -10.234 5.133 -6.760 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -8.369 6.170 -6.233 1.00 0.00 O ATOM 0 H ASP B 36 -7.893 3.875 -3.975 1.00 0.00 H new ATOM 0 HA ASP B 36 -9.906 2.652 -5.713 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.220 3.982 -6.287 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.319 3.380 -7.513 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.187 1.167 -4.769 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.466 -0.105 -4.838 1.00 0.00 C ATOM 1430 C ASN B 37 -7.260 -1.209 -4.151 1.00 0.00 C ATOM 1431 O ASN B 37 -7.411 -2.303 -4.689 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.082 0.006 -4.190 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.182 0.998 -4.898 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -4.126 1.029 -6.125 1.00 0.00 O ATOM 1435 ND2 ASN B 37 -3.444 1.795 -4.133 1.00 0.00 N ATOM 0 H ASN B 37 -6.898 1.782 -4.008 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.340 -0.353 -5.892 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.196 0.305 -3.148 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.606 -0.974 -4.190 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -2.803 2.463 -4.561 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.519 1.739 -3.117 1.00 0.00 H new ATOM 1442 N GLY B 38 -7.754 -0.893 -2.954 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.536 -1.823 -2.149 1.00 0.00 C ATOM 1444 C GLY B 38 -8.978 -3.096 -2.855 1.00 0.00 C ATOM 1445 O GLY B 38 -8.165 -3.978 -3.134 1.00 0.00 O ATOM 0 H GLY B 38 -7.621 0.019 -2.517 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -7.949 -2.100 -1.274 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.423 -1.304 -1.786 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.284 -3.217 -3.070 1.00 0.00 N ATOM 1450 CA VAL B 39 -10.860 -4.420 -3.668 1.00 0.00 C ATOM 1451 C VAL B 39 -11.418 -4.211 -5.072 1.00 0.00 C ATOM 1452 O VAL B 39 -12.020 -5.126 -5.635 1.00 0.00 O ATOM 1453 CB VAL B 39 -12.010 -4.932 -2.796 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -12.502 -6.291 -3.278 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -11.601 -4.991 -1.334 1.00 0.00 C ATOM 0 H VAL B 39 -10.967 -2.495 -2.839 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.037 -5.132 -3.734 1.00 0.00 H new ATOM 0 HB VAL B 39 -12.835 -4.226 -2.887 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -13.318 -6.630 -2.640 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.855 -6.206 -4.306 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -11.685 -7.011 -3.234 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -12.436 -5.358 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -10.751 -5.664 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -11.322 -3.994 -0.994 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.242 -3.034 -5.652 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.766 -2.782 -6.995 1.00 0.00 C ATOM 1467 C ASP B 40 -10.665 -2.361 -7.968 1.00 0.00 C ATOM 1468 O ASP B 40 -10.952 -1.918 -9.082 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.850 -1.706 -6.944 1.00 0.00 C ATOM 1470 CG ASP B 40 -14.022 -2.105 -6.069 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -14.661 -3.135 -6.368 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -14.298 -1.390 -5.083 1.00 0.00 O ATOM 0 H ASP B 40 -10.750 -2.248 -5.227 1.00 0.00 H new ATOM 0 HA ASP B 40 -12.193 -3.716 -7.359 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.419 -0.778 -6.568 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -13.206 -1.506 -7.954 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.408 -2.493 -7.553 1.00 0.00 N ATOM 1478 CA GLY B 41 -8.303 -2.111 -8.413 1.00 0.00 C ATOM 1479 C GLY B 41 -7.891 -3.217 -9.371 1.00 0.00 C ATOM 1480 O GLY B 41 -8.461 -4.307 -9.354 1.00 0.00 O ATOM 0 H GLY B 41 -9.136 -2.856 -6.640 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.583 -1.227 -8.985 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.448 -1.834 -7.796 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.890 -2.932 -10.201 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.388 -3.905 -11.167 1.00 0.00 C ATOM 1486 C GLU B 42 -5.065 -4.485 -10.684 1.00 0.00 C ATOM 1487 O GLU B 42 -4.028 -3.824 -10.744 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.207 -3.259 -12.545 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.489 -2.691 -13.134 1.00 0.00 C ATOM 1490 CD GLU B 42 -7.942 -1.415 -12.449 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -7.190 -0.893 -11.600 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -9.045 -0.928 -12.776 1.00 0.00 O ATOM 0 H GLU B 42 -6.410 -2.032 -10.223 1.00 0.00 H new ATOM 0 HA GLU B 42 -7.119 -4.709 -11.257 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.470 -2.460 -12.466 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.801 -4.001 -13.232 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -7.338 -2.493 -14.195 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -8.279 -3.438 -13.058 1.00 0.00 H new ATOM 1499 N TRP B 43 -5.110 -5.714 -10.181 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.916 -6.369 -9.657 1.00 0.00 C ATOM 1501 C TRP B 43 -3.233 -7.258 -10.691 1.00 0.00 C ATOM 1502 O TRP B 43 -3.811 -8.238 -11.162 1.00 0.00 O ATOM 1503 CB TRP B 43 -4.281 -7.214 -8.439 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.842 -6.418 -7.304 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -5.890 -5.544 -7.345 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.380 -6.429 -5.953 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -6.105 -5.011 -6.098 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -5.191 -5.540 -5.225 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.357 -7.108 -5.290 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -5.008 -5.313 -3.864 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.177 -6.882 -3.942 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -3.999 -5.992 -3.240 1.00 0.00 C ATOM 0 H TRP B 43 -5.959 -6.276 -10.125 1.00 0.00 H new ATOM 0 HA TRP B 43 -3.216 -5.580 -9.382 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -5.008 -7.970 -8.736 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -3.393 -7.744 -8.096 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -6.465 -5.307 -8.228 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -6.828 -4.332 -5.860 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -2.719 -7.797 -5.823 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.640 -4.626 -3.321 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -2.388 -7.401 -3.418 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -3.832 -5.839 -2.184 1.00 0.00 H new ATOM 1523 N THR B 44 -1.987 -6.924 -11.015 1.00 0.00 N ATOM 1524 CA THR B 44 -1.203 -7.706 -11.964 1.00 0.00 C ATOM 1525 C THR B 44 -0.060 -8.403 -11.230 1.00 0.00 C ATOM 1526 O THR B 44 0.572 -7.815 -10.353 1.00 0.00 O ATOM 1527 CB THR B 44 -0.657 -6.809 -13.076 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.104 -5.746 -12.534 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.738 -6.204 -13.942 1.00 0.00 C ATOM 0 H THR B 44 -1.498 -6.115 -10.633 1.00 0.00 H new ATOM 0 HA THR B 44 -1.845 -8.459 -12.421 1.00 0.00 H new ATOM 0 HB THR B 44 -0.041 -7.461 -13.695 1.00 0.00 H new ATOM 0 HG1 THR B 44 0.822 -6.110 -11.975 1.00 0.00 H new ATOM 0 HG21 THR B 44 -1.282 -5.579 -14.710 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.313 -7.000 -14.416 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.400 -5.596 -13.326 1.00 0.00 H new ATOM 1537 N TYR B 45 0.191 -9.665 -11.572 1.00 0.00 N ATOM 1538 CA TYR B 45 1.247 -10.432 -10.915 1.00 0.00 C ATOM 1539 C TYR B 45 2.419 -10.702 -11.858 1.00 0.00 C ATOM 1540 O TYR B 45 2.232 -10.889 -13.060 1.00 0.00 O ATOM 1541 CB TYR B 45 0.682 -11.756 -10.393 1.00 0.00 C ATOM 1542 CG TYR B 45 1.656 -12.553 -9.553 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.520 -11.921 -8.669 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.705 -13.938 -9.640 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.408 -12.646 -7.895 1.00 0.00 C ATOM 1546 CE2 TYR B 45 2.589 -14.672 -8.871 1.00 0.00 C ATOM 1547 CZ TYR B 45 3.439 -14.020 -8.001 1.00 0.00 C ATOM 1548 OH TYR B 45 4.319 -14.746 -7.234 1.00 0.00 O ATOM 0 H TYR B 45 -0.318 -10.175 -12.294 1.00 0.00 H new ATOM 0 HA TYR B 45 1.620 -9.838 -10.081 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.209 -11.550 -9.800 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.367 -12.364 -11.241 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.498 -10.845 -8.584 1.00 0.00 H new ATOM 0 HD2 TYR B 45 1.041 -14.451 -10.320 1.00 0.00 H new ATOM 0 HE1 TYR B 45 4.073 -12.139 -7.212 1.00 0.00 H new ATOM 0 HE2 TYR B 45 2.614 -15.749 -8.951 1.00 0.00 H new ATOM 0 HH TYR B 45 3.926 -14.909 -6.351 1.00 0.00 H new ATOM 1558 N ASP B 46 3.626 -10.724 -11.297 1.00 0.00 N ATOM 1559 CA ASP B 46 4.835 -10.978 -12.074 1.00 0.00 C ATOM 1560 C ASP B 46 5.595 -12.177 -11.509 1.00 0.00 C ATOM 1561 O ASP B 46 6.546 -12.018 -10.745 1.00 0.00 O ATOM 1562 CB ASP B 46 5.734 -9.739 -12.074 1.00 0.00 C ATOM 1563 CG ASP B 46 6.998 -9.939 -12.890 1.00 0.00 C ATOM 1564 OD1 ASP B 46 7.785 -10.847 -12.552 1.00 0.00 O ATOM 1565 OD2 ASP B 46 7.199 -9.186 -13.867 1.00 0.00 O ATOM 0 H ASP B 46 3.792 -10.568 -10.303 1.00 0.00 H new ATOM 0 HA ASP B 46 4.544 -11.204 -13.100 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.178 -8.891 -12.473 1.00 0.00 H new ATOM 0 HB3 ASP B 46 6.003 -9.489 -11.048 1.00 0.00 H new ATOM 1570 N ASP B 47 5.160 -13.376 -11.887 1.00 0.00 N ATOM 1571 CA ASP B 47 5.783 -14.615 -11.419 1.00 0.00 C ATOM 1572 C ASP B 47 7.307 -14.549 -11.504 1.00 0.00 C ATOM 1573 O ASP B 47 8.009 -15.111 -10.663 1.00 0.00 O ATOM 1574 CB ASP B 47 5.276 -15.801 -12.239 1.00 0.00 C ATOM 1575 CG ASP B 47 3.771 -15.965 -12.153 1.00 0.00 C ATOM 1576 OD1 ASP B 47 3.261 -16.189 -11.034 1.00 0.00 O ATOM 1577 OD2 ASP B 47 3.101 -15.871 -13.203 1.00 0.00 O ATOM 0 H ASP B 47 4.373 -13.518 -12.520 1.00 0.00 H new ATOM 0 HA ASP B 47 5.507 -14.746 -10.373 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.565 -15.668 -13.282 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.758 -16.714 -11.889 1.00 0.00 H new ATOM 1582 N ALA B 48 7.812 -13.884 -12.536 1.00 0.00 N ATOM 1583 CA ALA B 48 9.254 -13.767 -12.748 1.00 0.00 C ATOM 1584 C ALA B 48 9.987 -13.311 -11.488 1.00 0.00 C ATOM 1585 O ALA B 48 11.111 -13.741 -11.228 1.00 0.00 O ATOM 1586 CB ALA B 48 9.537 -12.813 -13.899 1.00 0.00 C ATOM 0 H ALA B 48 7.245 -13.415 -13.242 1.00 0.00 H new ATOM 0 HA ALA B 48 9.630 -14.759 -12.998 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.614 -12.733 -14.049 1.00 0.00 H new ATOM 0 HB2 ALA B 48 9.071 -13.192 -14.809 1.00 0.00 H new ATOM 0 HB3 ALA B 48 9.129 -11.830 -13.665 1.00 0.00 H new ATOM 1592 N THR B 49 9.356 -12.437 -10.713 1.00 0.00 N ATOM 1593 CA THR B 49 9.971 -11.932 -9.487 1.00 0.00 C ATOM 1594 C THR B 49 9.041 -12.081 -8.284 1.00 0.00 C ATOM 1595 O THR B 49 9.259 -11.456 -7.247 1.00 0.00 O ATOM 1596 CB THR B 49 10.359 -10.463 -9.660 1.00 0.00 C ATOM 1597 OG1 THR B 49 9.221 -9.674 -9.958 1.00 0.00 O ATOM 1598 CG2 THR B 49 11.375 -10.238 -10.759 1.00 0.00 C ATOM 0 H THR B 49 8.427 -12.065 -10.907 1.00 0.00 H new ATOM 0 HA THR B 49 10.864 -12.528 -9.298 1.00 0.00 H new ATOM 0 HB THR B 49 10.804 -10.169 -8.710 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.841 -9.959 -10.815 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.606 -9.175 -10.829 1.00 0.00 H new ATOM 0 HG22 THR B 49 12.285 -10.793 -10.532 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.966 -10.583 -11.709 1.00 0.00 H new ATOM 1606 N LYS B 50 8.003 -12.903 -8.422 1.00 0.00 N ATOM 1607 CA LYS B 50 7.051 -13.107 -7.333 1.00 0.00 C ATOM 1608 C LYS B 50 6.542 -11.761 -6.822 1.00 0.00 C ATOM 1609 O LYS B 50 6.262 -11.598 -5.632 1.00 0.00 O ATOM 1610 CB LYS B 50 7.711 -13.877 -6.186 1.00 0.00 C ATOM 1611 CG LYS B 50 8.230 -15.252 -6.578 1.00 0.00 C ATOM 1612 CD LYS B 50 7.101 -16.192 -6.971 1.00 0.00 C ATOM 1613 CE LYS B 50 6.117 -16.395 -5.832 1.00 0.00 C ATOM 1614 NZ LYS B 50 5.032 -17.346 -6.202 1.00 0.00 N ATOM 0 H LYS B 50 7.801 -13.434 -9.269 1.00 0.00 H new ATOM 0 HA LYS B 50 6.210 -13.688 -7.712 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.539 -13.286 -5.795 1.00 0.00 H new ATOM 0 HB3 LYS B 50 6.990 -13.990 -5.376 1.00 0.00 H new ATOM 0 HG2 LYS B 50 8.927 -15.154 -7.410 1.00 0.00 H new ATOM 0 HG3 LYS B 50 8.787 -15.681 -5.745 1.00 0.00 H new ATOM 0 HD2 LYS B 50 6.577 -15.789 -7.837 1.00 0.00 H new ATOM 0 HD3 LYS B 50 7.516 -17.155 -7.269 1.00 0.00 H new ATOM 0 HE2 LYS B 50 6.647 -16.771 -4.957 1.00 0.00 H new ATOM 0 HE3 LYS B 50 5.680 -15.436 -5.553 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 4.589 -17.721 -5.339 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 4.316 -16.851 -6.772 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 5.432 -18.131 -6.755 1.00 0.00 H new ATOM 1628 N THR B 51 6.453 -10.792 -7.730 1.00 0.00 N ATOM 1629 CA THR B 51 6.010 -9.450 -7.375 1.00 0.00 C ATOM 1630 C THR B 51 4.640 -9.135 -7.973 1.00 0.00 C ATOM 1631 O THR B 51 4.285 -9.628 -9.043 1.00 0.00 O ATOM 1632 CB THR B 51 7.038 -8.424 -7.858 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.308 -8.681 -7.285 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.672 -6.992 -7.530 1.00 0.00 C ATOM 0 H THR B 51 6.682 -10.913 -8.717 1.00 0.00 H new ATOM 0 HA THR B 51 5.920 -9.399 -6.290 1.00 0.00 H new ATOM 0 HB THR B 51 7.058 -8.533 -8.942 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.905 -9.053 -7.967 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.448 -6.324 -7.904 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.721 -6.743 -8.000 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.584 -6.877 -6.450 1.00 0.00 H new ATOM 1642 N PHE B 52 3.887 -8.290 -7.274 1.00 0.00 N ATOM 1643 CA PHE B 52 2.563 -7.877 -7.724 1.00 0.00 C ATOM 1644 C PHE B 52 2.530 -6.365 -7.927 1.00 0.00 C ATOM 1645 O PHE B 52 2.992 -5.615 -7.078 1.00 0.00 O ATOM 1646 CB PHE B 52 1.496 -8.268 -6.696 1.00 0.00 C ATOM 1647 CG PHE B 52 1.458 -9.733 -6.372 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.430 -10.304 -5.568 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.439 -10.538 -6.860 1.00 0.00 C ATOM 1650 CE1 PHE B 52 2.390 -11.650 -5.258 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.393 -11.883 -6.551 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.371 -12.441 -5.749 1.00 0.00 C ATOM 0 H PHE B 52 4.175 -7.876 -6.387 1.00 0.00 H new ATOM 0 HA PHE B 52 2.351 -8.381 -8.667 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.672 -7.709 -5.777 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.518 -7.965 -7.071 1.00 0.00 H new ATOM 0 HD1 PHE B 52 3.229 -9.690 -5.179 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.327 -10.108 -7.489 1.00 0.00 H new ATOM 0 HE1 PHE B 52 3.156 -12.083 -4.632 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.407 -12.499 -6.936 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.338 -13.493 -5.507 1.00 0.00 H new ATOM 1662 N THR B 53 1.972 -5.917 -9.043 1.00 0.00 N ATOM 1663 CA THR B 53 1.884 -4.485 -9.311 1.00 0.00 C ATOM 1664 C THR B 53 0.448 -3.989 -9.258 1.00 0.00 C ATOM 1665 O THR B 53 -0.276 -4.016 -10.254 1.00 0.00 O ATOM 1666 CB THR B 53 2.522 -4.125 -10.653 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.232 -5.099 -11.636 1.00 0.00 O ATOM 1668 CG2 THR B 53 4.023 -3.955 -10.575 1.00 0.00 C ATOM 0 H THR B 53 1.578 -6.514 -9.770 1.00 0.00 H new ATOM 0 HA THR B 53 2.443 -3.983 -8.522 1.00 0.00 H new ATOM 0 HB THR B 53 2.085 -3.166 -10.930 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.528 -4.765 -12.230 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.412 -3.700 -11.561 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.263 -3.156 -9.873 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.477 -4.886 -10.235 1.00 0.00 H new ATOM 1676 N VAL B 54 0.056 -3.515 -8.082 1.00 0.00 N ATOM 1677 CA VAL B 54 -1.281 -2.981 -7.880 1.00 0.00 C ATOM 1678 C VAL B 54 -1.319 -1.538 -8.355 1.00 0.00 C ATOM 1679 O VAL B 54 -0.581 -0.692 -7.849 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.703 -3.042 -6.398 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -3.127 -2.534 -6.221 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.565 -4.460 -5.863 1.00 0.00 C ATOM 0 H VAL B 54 0.649 -3.490 -7.252 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.979 -3.591 -8.453 1.00 0.00 H new ATOM 0 HB VAL B 54 -1.040 -2.394 -5.825 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.404 -2.586 -5.168 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -3.190 -1.501 -6.562 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.809 -3.151 -6.806 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.867 -4.485 -4.816 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.202 -5.130 -6.440 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.527 -4.782 -5.949 1.00 0.00 H new ATOM 1692 N THR B 55 -2.151 -1.263 -9.350 1.00 0.00 N ATOM 1693 CA THR B 55 -2.233 0.079 -9.903 1.00 0.00 C ATOM 1694 C THR B 55 -3.188 0.962 -9.108 1.00 0.00 C ATOM 1695 O THR B 55 -4.052 0.474 -8.381 1.00 0.00 O ATOM 1696 CB THR B 55 -2.658 0.034 -11.369 1.00 0.00 C ATOM 1697 OG1 THR B 55 -1.906 -0.936 -12.078 1.00 0.00 O ATOM 1698 CG2 THR B 55 -2.466 1.357 -12.074 1.00 0.00 C ATOM 0 H THR B 55 -2.772 -1.944 -9.786 1.00 0.00 H new ATOM 0 HA THR B 55 -1.237 0.517 -9.835 1.00 0.00 H new ATOM 0 HB THR B 55 -3.719 -0.216 -11.361 1.00 0.00 H new ATOM 0 HG1 THR B 55 -2.193 -0.952 -13.015 1.00 0.00 H new ATOM 0 HG21 THR B 55 -2.785 1.266 -13.112 1.00 0.00 H new ATOM 0 HG22 THR B 55 -3.061 2.123 -11.578 1.00 0.00 H new ATOM 0 HG23 THR B 55 -1.413 1.638 -12.041 1.00 0.00 H new ATOM 1706 N GLU B 56 -3.020 2.268 -9.277 1.00 0.00 N ATOM 1707 CA GLU B 56 -3.860 3.247 -8.595 1.00 0.00 C ATOM 1708 C GLU B 56 -5.309 3.155 -9.062 1.00 0.00 C ATOM 1709 O GLU B 56 -6.109 4.035 -8.680 1.00 0.00 O ATOM 1710 CB GLU B 56 -3.323 4.662 -8.813 1.00 0.00 C ATOM 1711 CG GLU B 56 -2.918 4.962 -10.245 1.00 0.00 C ATOM 1712 CD GLU B 56 -4.077 4.905 -11.225 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -4.594 3.796 -11.475 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -4.466 5.973 -11.743 1.00 0.00 O ATOM 1715 OXT GLU B 56 -5.631 2.205 -9.805 1.00 0.00 O ATOM 0 H GLU B 56 -2.307 2.675 -9.882 1.00 0.00 H new ATOM 0 HA GLU B 56 -3.833 3.021 -7.529 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -4.085 5.379 -8.505 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -2.461 4.815 -8.164 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -2.465 5.953 -10.287 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -2.154 4.249 -10.556 1.00 0.00 H new