USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=43 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: B 44 THR OG1 : rot 62:sc= 1.35 USER MOD Set 1.2: B 53 THR OG1 : rot 81:sc= 1.64 USER MOD Set 2.1: A 50 LYS NZ :NH3+ -166:sc= -1.41 (180deg=-0.342) USER MOD Set 2.2: B 1 MET CE :methyl 160:sc= -1.29 (180deg=0) USER MOD Set 3.1: A 44 THR OG1 : rot 57:sc= 1.33 USER MOD Set 3.2: A 53 THR OG1 : rot 92:sc= 1.6 USER MOD Single : A 2 GLN :FLIP amide:sc= -0.894 F(o=-3.5,f=-0.89) USER MOD Single : A 3 TYR OH : rot 180:sc= -0.264 USER MOD Single : A 4 LYS NZ :NH3+ -106:sc= -1.94 (180deg=-5.23!) USER MOD Single : A 8 ASN :FLIP amide:sc= -0.62 F(o=-2.5,f=-0.62) USER MOD Single : A 10 LYS NZ :NH3+ 166:sc= -0.0412 (180deg=-0.282) USER MOD Single : A 11 THR OG1 : rot -142:sc= -3.76! USER MOD Single : A 13 LYS NZ :NH3+ -126:sc= 0.0584 (180deg=-0.94) USER MOD Single : A 16 THR OG1 : rot 140:sc= -4.85! USER MOD Single : A 17 THR OG1 : rot 29:sc= 0.326 USER MOD Single : A 18 THR OG1 : rot 34:sc= 0.0864 USER MOD Single : A 25 THR OG1 : rot -33:sc= -0.381! USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -0.0257 (180deg=-0.259) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -2.18 F(o=-3.7,f=-2.2) USER MOD Single : A 35 ASN : amide:sc= -6.26! C(o=-6.3!,f=-6.1!) USER MOD Single : A 37 ASN : amide:sc= -6.44! C(o=-6.4!,f=-5.9!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0105 USER MOD Single : A 51 THR OG1 : rot 62:sc= -0.0697 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ -112:sc= 0.637 (180deg=0.00144) USER MOD Single : B 2 GLN :FLIP amide:sc= -0.89 F(o=-3.4,f=-0.89) USER MOD Single : B 3 TYR OH : rot 180:sc= -0.272 USER MOD Single : B 4 LYS NZ :NH3+ 140:sc= -1.9 (180deg=-5.21!) USER MOD Single : B 8 ASN :FLIP amide:sc= -0.63 F(o=-2.5,f=-0.63) USER MOD Single : B 10 LYS NZ :NH3+ 166:sc= -0.0448 (180deg=-0.281) USER MOD Single : B 11 THR OG1 : rot -140:sc= -3.75! USER MOD Single : B 13 LYS NZ :NH3+ -127:sc= 0.00305 (180deg=-0.832) USER MOD Single : B 16 THR OG1 : rot -163:sc= -4.77! USER MOD Single : B 17 THR OG1 : rot 31:sc= 0.339 USER MOD Single : B 18 THR OG1 : rot 34:sc= 0.0852 USER MOD Single : B 25 THR OG1 : rot -32:sc= -0.349! USER MOD Single : B 28 LYS NZ :NH3+ 166:sc= -0.0409 (180deg=-0.27) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 GLN :FLIP amide:sc= -2.21 F(o=-3.8,f=-2.2) USER MOD Single : B 35 ASN : amide:sc= -6.36! C(o=-6.4!,f=-6.2!) USER MOD Single : B 37 ASN :FLIP amide:sc= -5.88 F(o=-6.4!,f=-5.9) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot 180:sc= -0.0101 USER MOD Single : B 50 LYS NZ :NH3+ -167:sc= -0.0559 (180deg=-0.346) USER MOD Single : B 51 THR OG1 : rot 64:sc= -0.069 USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 7.521 -15.747 1.356 1.00 0.00 N ATOM 21 CA GLN A 2 7.415 -14.292 1.294 1.00 0.00 C ATOM 22 C GLN A 2 7.255 -13.827 -0.149 1.00 0.00 C ATOM 23 O GLN A 2 7.899 -14.358 -1.053 1.00 0.00 O ATOM 24 CB GLN A 2 8.655 -13.646 1.915 1.00 0.00 C ATOM 25 CG GLN A 2 8.579 -12.130 1.994 1.00 0.00 C ATOM 26 CD GLN A 2 7.515 -11.651 2.962 1.00 0.00 C ATOM 27 OE1 GLN A 2 6.518 -10.943 2.445 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 7.585 -11.920 4.161 1.00 0.00 N flip ATOM 0 HA GLN A 2 6.534 -13.987 1.858 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.799 -14.047 2.918 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.531 -13.927 1.331 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.548 -11.736 2.301 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.371 -11.728 1.002 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.369 -12.467 4.516 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.859 -11.596 4.800 1.00 0.00 H new ATOM 37 N TYR A 3 6.396 -12.834 -0.365 1.00 0.00 N ATOM 38 CA TYR A 3 6.165 -12.309 -1.705 1.00 0.00 C ATOM 39 C TYR A 3 6.353 -10.798 -1.740 1.00 0.00 C ATOM 40 O TYR A 3 6.162 -10.112 -0.735 1.00 0.00 O ATOM 41 CB TYR A 3 4.759 -12.668 -2.187 1.00 0.00 C ATOM 42 CG TYR A 3 4.526 -14.155 -2.326 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.505 -14.980 -1.210 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.326 -14.735 -3.575 1.00 0.00 C ATOM 45 CE1 TYR A 3 4.290 -16.340 -1.332 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.109 -16.093 -3.703 1.00 0.00 C ATOM 47 CZ TYR A 3 4.095 -16.891 -2.580 1.00 0.00 C ATOM 48 OH TYR A 3 3.879 -18.245 -2.705 1.00 0.00 O ATOM 0 H TYR A 3 5.851 -12.379 0.368 1.00 0.00 H new ATOM 0 HA TYR A 3 6.897 -12.765 -2.372 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.029 -12.259 -1.488 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.581 -12.190 -3.150 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.659 -14.552 -0.230 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.341 -14.114 -4.458 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.275 -16.968 -0.453 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.951 -16.527 -4.679 1.00 0.00 H new ATOM 0 HH TYR A 3 3.759 -18.471 -3.651 1.00 0.00 H new ATOM 58 N LYS A 4 6.724 -10.285 -2.906 1.00 0.00 N ATOM 59 CA LYS A 4 6.936 -8.855 -3.083 1.00 0.00 C ATOM 60 C LYS A 4 5.710 -8.206 -3.715 1.00 0.00 C ATOM 61 O LYS A 4 5.210 -8.664 -4.740 1.00 0.00 O ATOM 62 CB LYS A 4 8.168 -8.603 -3.954 1.00 0.00 C ATOM 63 CG LYS A 4 8.458 -7.131 -4.196 1.00 0.00 C ATOM 64 CD LYS A 4 8.813 -6.409 -2.906 1.00 0.00 C ATOM 65 CE LYS A 4 10.074 -6.980 -2.277 1.00 0.00 C ATOM 66 NZ LYS A 4 10.470 -6.235 -1.049 1.00 0.00 N ATOM 0 H LYS A 4 6.885 -10.841 -3.746 1.00 0.00 H new ATOM 0 HA LYS A 4 7.100 -8.410 -2.102 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.036 -9.062 -3.480 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.030 -9.099 -4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.280 -7.034 -4.906 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.587 -6.658 -4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.955 -5.348 -3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.985 -6.491 -2.202 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.913 -8.029 -2.029 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.888 -6.945 -3.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.300 -5.642 -1.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.682 -5.631 -0.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.706 -6.910 -0.294 1.00 0.00 H new ATOM 80 N VAL A 5 5.232 -7.137 -3.096 1.00 0.00 N ATOM 81 CA VAL A 5 4.070 -6.419 -3.598 1.00 0.00 C ATOM 82 C VAL A 5 4.438 -4.980 -3.938 1.00 0.00 C ATOM 83 O VAL A 5 4.870 -4.218 -3.079 1.00 0.00 O ATOM 84 CB VAL A 5 2.913 -6.436 -2.577 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.691 -5.713 -3.131 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.566 -7.865 -2.187 1.00 0.00 C ATOM 0 H VAL A 5 5.632 -6.747 -2.243 1.00 0.00 H new ATOM 0 HA VAL A 5 3.735 -6.927 -4.502 1.00 0.00 H new ATOM 0 HB VAL A 5 3.239 -5.907 -1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.888 -5.738 -2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.950 -4.677 -3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.360 -6.206 -4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.748 -7.857 -1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.263 -8.421 -3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.438 -8.342 -1.741 1.00 0.00 H new ATOM 96 N ILE A 6 4.273 -4.623 -5.203 1.00 0.00 N ATOM 97 CA ILE A 6 4.594 -3.283 -5.671 1.00 0.00 C ATOM 98 C ILE A 6 3.330 -2.446 -5.853 1.00 0.00 C ATOM 99 O ILE A 6 2.412 -2.836 -6.568 1.00 0.00 O ATOM 100 CB ILE A 6 5.369 -3.340 -7.003 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.725 -4.021 -6.800 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.548 -1.948 -7.583 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.551 -4.113 -8.065 1.00 0.00 C ATOM 0 H ILE A 6 3.917 -5.247 -5.927 1.00 0.00 H new ATOM 0 HA ILE A 6 5.220 -2.813 -4.912 1.00 0.00 H new ATOM 0 HB ILE A 6 4.789 -3.929 -7.714 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.289 -3.471 -6.047 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.563 -5.025 -6.408 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.097 -2.013 -8.522 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.571 -1.501 -7.764 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.105 -1.329 -6.879 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.498 -4.606 -7.846 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.007 -4.688 -8.814 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.744 -3.111 -8.447 1.00 0.00 H new ATOM 115 N LEU A 7 3.288 -1.293 -5.196 1.00 0.00 N ATOM 116 CA LEU A 7 2.133 -0.409 -5.287 1.00 0.00 C ATOM 117 C LEU A 7 2.461 0.809 -6.152 1.00 0.00 C ATOM 118 O LEU A 7 3.015 1.796 -5.666 1.00 0.00 O ATOM 119 CB LEU A 7 1.708 0.026 -3.883 1.00 0.00 C ATOM 120 CG LEU A 7 1.686 -1.095 -2.847 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.233 -0.561 -1.496 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.785 -2.228 -3.316 1.00 0.00 C ATOM 0 H LEU A 7 4.038 -0.949 -4.596 1.00 0.00 H new ATOM 0 HA LEU A 7 1.308 -0.945 -5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.386 0.807 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.714 0.469 -3.940 1.00 0.00 H new ATOM 0 HG LEU A 7 2.696 -1.488 -2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.223 -1.373 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.921 0.216 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.230 -0.143 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.778 -3.021 -2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.229 -1.853 -3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.159 -2.623 -4.260 1.00 0.00 H new ATOM 134 N ASN A 8 2.127 0.727 -7.440 1.00 0.00 N ATOM 135 CA ASN A 8 2.400 1.818 -8.376 1.00 0.00 C ATOM 136 C ASN A 8 1.145 2.622 -8.699 1.00 0.00 C ATOM 137 O ASN A 8 0.263 2.148 -9.406 1.00 0.00 O ATOM 138 CB ASN A 8 3.003 1.283 -9.677 1.00 0.00 C ATOM 139 CG ASN A 8 4.352 0.626 -9.475 1.00 0.00 C ATOM 140 OD1 ASN A 8 4.498 -0.591 -9.985 1.00 0.00 O flip ATOM 141 ND2 ASN A 8 5.259 1.211 -8.882 1.00 0.00 N flip ATOM 0 H ASN A 8 1.668 -0.082 -7.859 1.00 0.00 H new ATOM 0 HA ASN A 8 3.115 2.478 -7.885 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.316 0.562 -10.120 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.107 2.103 -10.388 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.102 2.146 -8.506 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.167 0.760 -8.767 1.00 0.00 H new ATOM 148 N GLY A 9 1.078 3.850 -8.193 1.00 0.00 N ATOM 149 CA GLY A 9 -0.071 4.698 -8.461 1.00 0.00 C ATOM 150 C GLY A 9 0.301 5.933 -9.252 1.00 0.00 C ATOM 151 O GLY A 9 1.389 6.010 -9.821 1.00 0.00 O ATOM 0 H GLY A 9 1.796 4.272 -7.604 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.820 4.128 -9.011 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.527 4.997 -7.517 1.00 0.00 H new ATOM 155 N LYS A 10 -0.606 6.901 -9.291 1.00 0.00 N ATOM 156 CA LYS A 10 -0.370 8.140 -10.021 1.00 0.00 C ATOM 157 C LYS A 10 0.537 9.077 -9.229 1.00 0.00 C ATOM 158 O LYS A 10 1.587 9.500 -9.714 1.00 0.00 O ATOM 159 CB LYS A 10 -1.697 8.837 -10.323 1.00 0.00 C ATOM 160 CG LYS A 10 -2.654 7.997 -11.152 1.00 0.00 C ATOM 161 CD LYS A 10 -2.055 7.641 -12.501 1.00 0.00 C ATOM 162 CE LYS A 10 -3.015 6.802 -13.332 1.00 0.00 C ATOM 163 NZ LYS A 10 -4.298 7.513 -13.585 1.00 0.00 N ATOM 0 H LYS A 10 -1.512 6.852 -8.825 1.00 0.00 H new ATOM 0 HA LYS A 10 0.126 7.889 -10.959 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.181 9.101 -9.383 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.496 9.769 -10.851 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.902 7.084 -10.610 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.586 8.543 -11.299 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.805 8.554 -13.042 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.124 7.093 -12.354 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.546 6.549 -14.283 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.216 5.863 -12.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.824 7.024 -14.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.867 7.522 -12.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.101 8.491 -13.880 1.00 0.00 H new ATOM 177 N THR A 11 0.112 9.415 -8.016 1.00 0.00 N ATOM 178 CA THR A 11 0.856 10.317 -7.156 1.00 0.00 C ATOM 179 C THR A 11 1.528 9.571 -6.009 1.00 0.00 C ATOM 180 O THR A 11 2.078 10.190 -5.099 1.00 0.00 O ATOM 181 CB THR A 11 -0.099 11.364 -6.595 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.311 10.753 -6.182 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.445 12.455 -7.580 1.00 0.00 C ATOM 0 H THR A 11 -0.756 9.070 -7.606 1.00 0.00 H new ATOM 0 HA THR A 11 1.639 10.792 -7.748 1.00 0.00 H new ATOM 0 HB THR A 11 0.427 11.819 -5.756 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.064 11.342 -6.397 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.128 13.164 -7.112 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.465 12.973 -7.883 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.922 12.016 -8.456 1.00 0.00 H new ATOM 191 N LEU A 12 1.469 8.246 -6.045 1.00 0.00 N ATOM 192 CA LEU A 12 2.064 7.443 -4.990 1.00 0.00 C ATOM 193 C LEU A 12 2.836 6.256 -5.560 1.00 0.00 C ATOM 194 O LEU A 12 2.362 5.564 -6.458 1.00 0.00 O ATOM 195 CB LEU A 12 0.973 6.972 -4.025 1.00 0.00 C ATOM 196 CG LEU A 12 1.456 6.116 -2.861 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.625 6.795 -2.174 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.324 5.864 -1.874 1.00 0.00 C ATOM 0 H LEU A 12 1.019 7.710 -6.787 1.00 0.00 H new ATOM 0 HA LEU A 12 2.779 8.061 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.464 7.848 -3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.233 6.404 -4.589 1.00 0.00 H new ATOM 0 HG LEU A 12 1.787 5.151 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.966 6.179 -1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.439 6.926 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.311 7.769 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.689 5.251 -1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.038 6.816 -1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.490 5.345 -2.379 1.00 0.00 H new ATOM 210 N LYS A 13 4.031 6.034 -5.016 1.00 0.00 N ATOM 211 CA LYS A 13 4.892 4.934 -5.447 1.00 0.00 C ATOM 212 C LYS A 13 5.528 4.262 -4.234 1.00 0.00 C ATOM 213 O LYS A 13 5.962 4.943 -3.305 1.00 0.00 O ATOM 214 CB LYS A 13 5.998 5.452 -6.372 1.00 0.00 C ATOM 215 CG LYS A 13 5.492 6.237 -7.572 1.00 0.00 C ATOM 216 CD LYS A 13 4.670 5.370 -8.510 1.00 0.00 C ATOM 217 CE LYS A 13 4.219 6.155 -9.731 1.00 0.00 C ATOM 218 NZ LYS A 13 3.485 7.393 -9.353 1.00 0.00 N ATOM 0 H LYS A 13 4.427 6.606 -4.270 1.00 0.00 H new ATOM 0 HA LYS A 13 4.281 4.211 -5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.671 6.086 -5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.585 4.605 -6.728 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.886 7.075 -7.228 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.339 6.657 -8.114 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.260 4.510 -8.825 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.799 4.982 -7.982 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.087 6.418 -10.335 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.578 5.527 -10.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.560 7.407 -9.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.345 7.412 -8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.036 8.226 -9.643 1.00 0.00 H new ATOM 232 N GLY A 14 5.584 2.933 -4.234 1.00 0.00 N ATOM 233 CA GLY A 14 6.178 2.235 -3.107 1.00 0.00 C ATOM 234 C GLY A 14 6.303 0.739 -3.316 1.00 0.00 C ATOM 235 O GLY A 14 5.984 0.219 -4.385 1.00 0.00 O ATOM 0 H GLY A 14 5.234 2.334 -4.982 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.167 2.650 -2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.576 2.420 -2.218 1.00 0.00 H new ATOM 239 N GLU A 15 6.768 0.049 -2.277 1.00 0.00 N ATOM 240 CA GLU A 15 6.942 -1.398 -2.321 1.00 0.00 C ATOM 241 C GLU A 15 6.596 -2.019 -0.971 1.00 0.00 C ATOM 242 O GLU A 15 6.886 -1.448 0.080 1.00 0.00 O ATOM 243 CB GLU A 15 8.379 -1.752 -2.709 1.00 0.00 C ATOM 244 CG GLU A 15 8.792 -1.213 -4.068 1.00 0.00 C ATOM 245 CD GLU A 15 10.221 -1.574 -4.429 1.00 0.00 C ATOM 246 OE1 GLU A 15 11.140 -1.178 -3.682 1.00 0.00 O ATOM 247 OE2 GLU A 15 10.419 -2.249 -5.461 1.00 0.00 O ATOM 0 H GLU A 15 7.032 0.474 -1.388 1.00 0.00 H new ATOM 0 HA GLU A 15 6.266 -1.801 -3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.058 -1.362 -1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.490 -2.836 -2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.119 -1.605 -4.830 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.683 -0.129 -4.073 1.00 0.00 H new ATOM 254 N THR A 16 5.963 -3.184 -1.011 1.00 0.00 N ATOM 255 CA THR A 16 5.560 -3.886 0.201 1.00 0.00 C ATOM 256 C THR A 16 5.750 -5.396 0.049 1.00 0.00 C ATOM 257 O THR A 16 6.012 -5.882 -1.047 1.00 0.00 O ATOM 258 CB THR A 16 4.105 -3.546 0.543 1.00 0.00 C ATOM 259 OG1 THR A 16 3.555 -4.522 1.391 1.00 0.00 O ATOM 260 CG2 THR A 16 3.203 -3.427 -0.668 1.00 0.00 C ATOM 0 H THR A 16 5.716 -3.666 -1.876 1.00 0.00 H new ATOM 0 HA THR A 16 6.196 -3.557 1.022 1.00 0.00 H new ATOM 0 HB THR A 16 4.149 -2.572 1.030 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.998 -4.088 2.071 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.190 -3.185 -0.345 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.574 -2.638 -1.322 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.195 -4.373 -1.210 1.00 0.00 H new ATOM 268 N THR A 17 5.637 -6.134 1.157 1.00 0.00 N ATOM 269 CA THR A 17 5.821 -7.587 1.123 1.00 0.00 C ATOM 270 C THR A 17 4.880 -8.323 2.080 1.00 0.00 C ATOM 271 O THR A 17 4.881 -8.076 3.286 1.00 0.00 O ATOM 272 CB THR A 17 7.271 -7.937 1.456 1.00 0.00 C ATOM 273 OG1 THR A 17 7.622 -7.452 2.739 1.00 0.00 O ATOM 274 CG2 THR A 17 8.263 -7.373 0.464 1.00 0.00 C ATOM 0 H THR A 17 5.421 -5.754 2.079 1.00 0.00 H new ATOM 0 HA THR A 17 5.578 -7.916 0.113 1.00 0.00 H new ATOM 0 HB THR A 17 7.323 -9.025 1.419 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.824 -7.422 3.307 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.273 -7.658 0.758 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.049 -7.768 -0.529 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.183 -6.286 0.447 1.00 0.00 H new ATOM 282 N THR A 18 4.088 -9.242 1.526 1.00 0.00 N ATOM 283 CA THR A 18 3.145 -10.045 2.308 1.00 0.00 C ATOM 284 C THR A 18 3.622 -11.495 2.380 1.00 0.00 C ATOM 285 O THR A 18 4.216 -12.007 1.430 1.00 0.00 O ATOM 286 CB THR A 18 1.753 -9.997 1.673 1.00 0.00 C ATOM 287 OG1 THR A 18 0.819 -10.688 2.480 1.00 0.00 O ATOM 288 CG2 THR A 18 1.701 -10.605 0.286 1.00 0.00 C ATOM 0 H THR A 18 4.081 -9.451 0.528 1.00 0.00 H new ATOM 0 HA THR A 18 3.093 -9.632 3.316 1.00 0.00 H new ATOM 0 HB THR A 18 1.506 -8.938 1.593 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.056 -10.576 3.424 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.685 -10.537 -0.103 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.380 -10.064 -0.374 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.001 -11.652 0.336 1.00 0.00 H new ATOM 296 N GLU A 19 3.354 -12.154 3.499 1.00 0.00 N ATOM 297 CA GLU A 19 3.755 -13.546 3.680 1.00 0.00 C ATOM 298 C GLU A 19 2.536 -14.457 3.576 1.00 0.00 C ATOM 299 O GLU A 19 1.611 -14.358 4.381 1.00 0.00 O ATOM 300 CB GLU A 19 4.445 -13.724 5.036 1.00 0.00 C ATOM 301 CG GLU A 19 5.052 -15.104 5.250 1.00 0.00 C ATOM 302 CD GLU A 19 4.011 -16.202 5.356 1.00 0.00 C ATOM 303 OE1 GLU A 19 3.167 -16.132 6.273 1.00 0.00 O ATOM 304 OE2 GLU A 19 4.039 -17.129 4.520 1.00 0.00 O ATOM 0 H GLU A 19 2.861 -11.749 4.295 1.00 0.00 H new ATOM 0 HA GLU A 19 4.461 -13.818 2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.231 -12.975 5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.721 -13.531 5.828 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.727 -15.330 4.424 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.653 -15.093 6.159 1.00 0.00 H new ATOM 311 N ALA A 20 2.529 -15.339 2.578 1.00 0.00 N ATOM 312 CA ALA A 20 1.405 -16.245 2.383 1.00 0.00 C ATOM 313 C ALA A 20 1.845 -17.581 1.784 1.00 0.00 C ATOM 314 O ALA A 20 2.829 -17.657 1.048 1.00 0.00 O ATOM 315 CB ALA A 20 0.356 -15.587 1.502 1.00 0.00 C ATOM 0 H ALA A 20 3.283 -15.443 1.899 1.00 0.00 H new ATOM 0 HA ALA A 20 0.974 -16.456 3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.481 -16.271 1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.002 -14.673 1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.794 -15.345 0.534 1.00 0.00 H new ATOM 321 N VAL A 21 1.112 -18.634 2.133 1.00 0.00 N ATOM 322 CA VAL A 21 1.412 -19.988 1.668 1.00 0.00 C ATOM 323 C VAL A 21 1.579 -20.052 0.150 1.00 0.00 C ATOM 324 O VAL A 21 2.417 -20.799 -0.358 1.00 0.00 O ATOM 325 CB VAL A 21 0.301 -20.970 2.083 1.00 0.00 C ATOM 326 CG1 VAL A 21 0.705 -22.402 1.771 1.00 0.00 C ATOM 327 CG2 VAL A 21 -0.032 -20.807 3.560 1.00 0.00 C ATOM 0 H VAL A 21 0.297 -18.576 2.743 1.00 0.00 H new ATOM 0 HA VAL A 21 2.355 -20.272 2.136 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.595 -20.740 1.506 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.094 -23.079 2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.884 -22.505 0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.616 -22.650 2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.819 -21.509 3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.857 -21.007 4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.373 -19.789 3.746 1.00 0.00 H new ATOM 337 N ASP A 22 0.785 -19.269 -0.570 1.00 0.00 N ATOM 338 CA ASP A 22 0.861 -19.249 -2.028 1.00 0.00 C ATOM 339 C ASP A 22 0.565 -17.859 -2.580 1.00 0.00 C ATOM 340 O ASP A 22 0.181 -16.954 -1.838 1.00 0.00 O ATOM 341 CB ASP A 22 -0.094 -20.280 -2.632 1.00 0.00 C ATOM 342 CG ASP A 22 -1.549 -19.972 -2.343 1.00 0.00 C ATOM 343 OD1 ASP A 22 -2.042 -18.937 -2.833 1.00 0.00 O ATOM 344 OD2 ASP A 22 -2.195 -20.766 -1.627 1.00 0.00 O ATOM 0 H ASP A 22 0.085 -18.643 -0.173 1.00 0.00 H new ATOM 0 HA ASP A 22 1.880 -19.511 -2.311 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.057 -20.320 -3.711 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.149 -21.267 -2.239 1.00 0.00 H new ATOM 349 N ALA A 23 0.755 -17.694 -3.886 1.00 0.00 N ATOM 350 CA ALA A 23 0.522 -16.412 -4.540 1.00 0.00 C ATOM 351 C ALA A 23 -0.909 -15.933 -4.339 1.00 0.00 C ATOM 352 O ALA A 23 -1.143 -14.760 -4.060 1.00 0.00 O ATOM 353 CB ALA A 23 0.849 -16.505 -6.023 1.00 0.00 C ATOM 0 H ALA A 23 1.070 -18.434 -4.513 1.00 0.00 H new ATOM 0 HA ALA A 23 1.184 -15.679 -4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.670 -15.540 -6.496 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.896 -16.782 -6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.216 -17.260 -6.488 1.00 0.00 H new ATOM 359 N ALA A 24 -1.862 -16.844 -4.476 1.00 0.00 N ATOM 360 CA ALA A 24 -3.263 -16.495 -4.297 1.00 0.00 C ATOM 361 C ALA A 24 -3.501 -16.018 -2.874 1.00 0.00 C ATOM 362 O ALA A 24 -3.991 -14.910 -2.655 1.00 0.00 O ATOM 363 CB ALA A 24 -4.158 -17.680 -4.626 1.00 0.00 C ATOM 0 H ALA A 24 -1.692 -17.823 -4.709 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.513 -15.685 -4.983 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.201 -17.398 -4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.999 -17.979 -5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.916 -18.513 -3.966 1.00 0.00 H new ATOM 369 N THR A 25 -3.120 -16.844 -1.903 1.00 0.00 N ATOM 370 CA THR A 25 -3.264 -16.484 -0.506 1.00 0.00 C ATOM 371 C THR A 25 -2.621 -15.127 -0.277 1.00 0.00 C ATOM 372 O THR A 25 -3.209 -14.241 0.344 1.00 0.00 O ATOM 373 CB THR A 25 -2.613 -17.542 0.382 1.00 0.00 C ATOM 374 OG1 THR A 25 -1.242 -17.687 0.070 1.00 0.00 O ATOM 375 CG2 THR A 25 -3.260 -18.905 0.265 1.00 0.00 C ATOM 0 H THR A 25 -2.711 -17.764 -2.063 1.00 0.00 H new ATOM 0 HA THR A 25 -4.322 -16.431 -0.248 1.00 0.00 H new ATOM 0 HB THR A 25 -2.748 -17.182 1.402 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.107 -17.536 -0.889 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.748 -19.608 0.922 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.309 -18.836 0.554 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.189 -19.254 -0.765 1.00 0.00 H new ATOM 383 N ALA A 26 -1.420 -14.962 -0.823 1.00 0.00 N ATOM 384 CA ALA A 26 -0.709 -13.699 -0.719 1.00 0.00 C ATOM 385 C ALA A 26 -1.552 -12.601 -1.346 1.00 0.00 C ATOM 386 O ALA A 26 -1.842 -11.584 -0.712 1.00 0.00 O ATOM 387 CB ALA A 26 0.650 -13.790 -1.397 1.00 0.00 C ATOM 0 H ALA A 26 -0.922 -15.687 -1.340 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.539 -13.466 0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.166 -12.834 -1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.244 -14.569 -0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.515 -14.032 -2.451 1.00 0.00 H new ATOM 393 N GLU A 27 -1.966 -12.823 -2.595 1.00 0.00 N ATOM 394 CA GLU A 27 -2.801 -11.866 -3.306 1.00 0.00 C ATOM 395 C GLU A 27 -3.983 -11.450 -2.439 1.00 0.00 C ATOM 396 O GLU A 27 -4.265 -10.264 -2.282 1.00 0.00 O ATOM 397 CB GLU A 27 -3.305 -12.477 -4.616 1.00 0.00 C ATOM 398 CG GLU A 27 -4.180 -11.539 -5.430 1.00 0.00 C ATOM 399 CD GLU A 27 -4.657 -12.163 -6.727 1.00 0.00 C ATOM 400 OE1 GLU A 27 -5.344 -13.204 -6.666 1.00 0.00 O ATOM 401 OE2 GLU A 27 -4.343 -11.611 -7.802 1.00 0.00 O ATOM 0 H GLU A 27 -1.734 -13.659 -3.131 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.203 -10.984 -3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.449 -12.777 -5.220 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.869 -13.382 -4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.044 -11.245 -4.834 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.622 -10.630 -5.653 1.00 0.00 H new ATOM 408 N LYS A 28 -4.658 -12.442 -1.864 1.00 0.00 N ATOM 409 CA LYS A 28 -5.798 -12.182 -0.996 1.00 0.00 C ATOM 410 C LYS A 28 -5.357 -11.385 0.219 1.00 0.00 C ATOM 411 O LYS A 28 -5.985 -10.391 0.588 1.00 0.00 O ATOM 412 CB LYS A 28 -6.445 -13.497 -0.556 1.00 0.00 C ATOM 413 CG LYS A 28 -6.980 -14.322 -1.711 1.00 0.00 C ATOM 414 CD LYS A 28 -7.959 -13.520 -2.552 1.00 0.00 C ATOM 415 CE LYS A 28 -8.496 -14.339 -3.714 1.00 0.00 C ATOM 416 NZ LYS A 28 -9.220 -15.553 -3.249 1.00 0.00 N ATOM 0 H LYS A 28 -4.434 -13.430 -1.984 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.534 -11.601 -1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.712 -14.088 -0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.261 -13.279 0.133 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.152 -14.659 -2.335 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.473 -15.215 -1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.788 -13.185 -1.928 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.466 -12.626 -2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.167 -13.723 -4.313 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.671 -14.634 -4.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.768 -15.954 -4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.534 -16.258 -2.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.865 -15.297 -2.474 1.00 0.00 H new ATOM 430 N VAL A 29 -4.260 -11.818 0.834 1.00 0.00 N ATOM 431 CA VAL A 29 -3.721 -11.136 1.999 1.00 0.00 C ATOM 432 C VAL A 29 -3.471 -9.672 1.685 1.00 0.00 C ATOM 433 O VAL A 29 -3.805 -8.787 2.474 1.00 0.00 O ATOM 434 CB VAL A 29 -2.411 -11.793 2.476 1.00 0.00 C ATOM 435 CG1 VAL A 29 -1.823 -11.029 3.650 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.646 -13.250 2.845 1.00 0.00 C ATOM 0 H VAL A 29 -3.729 -12.639 0.542 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.458 -11.215 2.799 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.694 -11.760 1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.899 -11.510 3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.612 -10.003 3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.535 -11.025 4.475 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.709 -13.696 3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.382 -13.308 3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.015 -13.791 1.974 1.00 0.00 H new ATOM 446 N VAL A 30 -2.906 -9.421 0.514 1.00 0.00 N ATOM 447 CA VAL A 30 -2.641 -8.061 0.080 1.00 0.00 C ATOM 448 C VAL A 30 -3.967 -7.338 -0.128 1.00 0.00 C ATOM 449 O VAL A 30 -4.169 -6.236 0.376 1.00 0.00 O ATOM 450 CB VAL A 30 -1.819 -8.036 -1.221 1.00 0.00 C ATOM 451 CG1 VAL A 30 -1.543 -6.606 -1.664 1.00 0.00 C ATOM 452 CG2 VAL A 30 -0.518 -8.801 -1.042 1.00 0.00 C ATOM 0 H VAL A 30 -2.623 -10.141 -0.151 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.056 -7.558 0.850 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.403 -8.523 -2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.961 -6.616 -2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.487 -6.090 -1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.983 -6.086 -0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.051 -8.773 -1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.067 -8.343 -0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.738 -9.836 -0.782 1.00 0.00 H new ATOM 462 N LYS A 31 -4.884 -7.971 -0.863 1.00 0.00 N ATOM 463 CA LYS A 31 -6.194 -7.377 -1.108 1.00 0.00 C ATOM 464 C LYS A 31 -6.860 -6.999 0.206 1.00 0.00 C ATOM 465 O LYS A 31 -7.411 -5.911 0.336 1.00 0.00 O ATOM 466 CB LYS A 31 -7.094 -8.324 -1.906 1.00 0.00 C ATOM 467 CG LYS A 31 -6.650 -8.499 -3.348 1.00 0.00 C ATOM 468 CD LYS A 31 -7.675 -9.266 -4.167 1.00 0.00 C ATOM 469 CE LYS A 31 -8.939 -8.447 -4.380 1.00 0.00 C ATOM 470 NZ LYS A 31 -9.940 -9.173 -5.208 1.00 0.00 N ATOM 0 H LYS A 31 -4.743 -8.885 -1.294 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.045 -6.475 -1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.110 -9.298 -1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.115 -7.943 -1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.484 -7.520 -3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.697 -9.027 -3.373 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.246 -9.533 -5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.924 -10.198 -3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.378 -8.200 -3.413 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.683 -7.504 -4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.786 -8.580 -5.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.530 -9.386 -6.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.204 -10.060 -4.734 1.00 0.00 H new ATOM 484 N GLN A 32 -6.782 -7.892 1.186 1.00 0.00 N ATOM 485 CA GLN A 32 -7.362 -7.621 2.496 1.00 0.00 C ATOM 486 C GLN A 32 -6.692 -6.395 3.101 1.00 0.00 C ATOM 487 O GLN A 32 -7.334 -5.563 3.740 1.00 0.00 O ATOM 488 CB GLN A 32 -7.196 -8.831 3.419 1.00 0.00 C ATOM 489 CG GLN A 32 -7.847 -8.653 4.784 1.00 0.00 C ATOM 490 CD GLN A 32 -9.365 -8.516 4.730 1.00 0.00 C ATOM 491 OE1 GLN A 32 -9.964 -8.746 3.560 1.00 0.00 O flip ATOM 492 NE2 GLN A 32 -10.000 -8.220 5.742 1.00 0.00 N flip ATOM 0 H GLN A 32 -6.328 -8.801 1.100 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.429 -7.428 2.381 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.624 -9.708 2.934 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.133 -9.029 3.556 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.591 -9.506 5.412 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.429 -7.768 5.263 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.510 -8.051 6.620 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.016 -8.144 5.702 1.00 0.00 H new ATOM 501 N PHE A 33 -5.387 -6.291 2.867 1.00 0.00 N ATOM 502 CA PHE A 33 -4.591 -5.172 3.353 1.00 0.00 C ATOM 503 C PHE A 33 -5.235 -3.848 2.921 1.00 0.00 C ATOM 504 O PHE A 33 -5.688 -3.059 3.750 1.00 0.00 O ATOM 505 CB PHE A 33 -3.169 -5.303 2.783 1.00 0.00 C ATOM 506 CG PHE A 33 -2.153 -4.373 3.379 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.658 -4.596 4.653 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.681 -3.284 2.658 1.00 0.00 C ATOM 509 CE1 PHE A 33 -0.714 -3.750 5.197 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.735 -2.437 3.203 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.253 -2.671 4.475 1.00 0.00 C ATOM 0 H PHE A 33 -4.854 -6.980 2.336 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.545 -5.183 4.442 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.829 -6.328 2.929 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.209 -5.131 1.707 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.014 -5.440 5.226 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.057 -3.097 1.663 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.335 -3.934 6.192 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.373 -1.593 2.634 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.485 -2.009 4.904 1.00 0.00 H new ATOM 521 N PHE A 34 -5.276 -3.635 1.611 1.00 0.00 N ATOM 522 CA PHE A 34 -5.867 -2.427 1.031 1.00 0.00 C ATOM 523 C PHE A 34 -7.374 -2.397 1.247 1.00 0.00 C ATOM 524 O PHE A 34 -7.948 -1.353 1.557 1.00 0.00 O ATOM 525 CB PHE A 34 -5.519 -2.351 -0.447 1.00 0.00 C ATOM 526 CG PHE A 34 -4.041 -2.398 -0.651 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.223 -1.486 -0.010 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.466 -3.365 -1.451 1.00 0.00 C ATOM 529 CE1 PHE A 34 -1.854 -1.539 -0.162 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.096 -3.422 -1.613 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.291 -2.506 -0.965 1.00 0.00 C ATOM 0 H PHE A 34 -4.904 -4.288 0.922 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.453 -1.553 1.534 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.990 -3.178 -0.978 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.919 -1.430 -0.872 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.662 -0.724 0.617 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.094 -4.084 -1.955 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.225 -0.824 0.347 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.656 -4.180 -2.244 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.219 -2.548 -1.088 1.00 0.00 H new ATOM 541 N ASN A 35 -8.006 -3.554 1.110 1.00 0.00 N ATOM 542 CA ASN A 35 -9.442 -3.674 1.322 1.00 0.00 C ATOM 543 C ASN A 35 -9.817 -3.066 2.671 1.00 0.00 C ATOM 544 O ASN A 35 -10.852 -2.417 2.820 1.00 0.00 O ATOM 545 CB ASN A 35 -9.829 -5.152 1.301 1.00 0.00 C ATOM 546 CG ASN A 35 -11.309 -5.379 1.496 1.00 0.00 C ATOM 547 OD1 ASN A 35 -11.923 -4.840 2.417 1.00 0.00 O ATOM 548 ND2 ASN A 35 -11.884 -6.209 0.638 1.00 0.00 N ATOM 0 H ASN A 35 -7.545 -4.426 0.852 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.973 -3.143 0.532 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.523 -5.588 0.350 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.281 -5.676 2.084 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.877 -6.425 0.725 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.334 -6.632 -0.110 1.00 0.00 H new ATOM 555 N ASP A 36 -8.947 -3.304 3.647 1.00 0.00 N ATOM 556 CA ASP A 36 -9.143 -2.808 5.007 1.00 0.00 C ATOM 557 C ASP A 36 -8.429 -1.475 5.260 1.00 0.00 C ATOM 558 O ASP A 36 -8.850 -0.702 6.120 1.00 0.00 O ATOM 559 CB ASP A 36 -8.674 -3.853 6.019 1.00 0.00 C ATOM 560 CG ASP A 36 -9.485 -5.133 5.948 1.00 0.00 C ATOM 561 OD1 ASP A 36 -9.522 -5.754 4.866 1.00 0.00 O ATOM 562 OD2 ASP A 36 -10.084 -5.513 6.975 1.00 0.00 O ATOM 0 H ASP A 36 -8.090 -3.843 3.520 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.211 -2.627 5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.623 -4.082 5.840 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.743 -3.438 7.024 1.00 0.00 H new ATOM 567 N ASN A 37 -7.361 -1.195 4.511 1.00 0.00 N ATOM 568 CA ASN A 37 -6.632 0.065 4.684 1.00 0.00 C ATOM 569 C ASN A 37 -7.396 1.205 4.028 1.00 0.00 C ATOM 570 O ASN A 37 -7.457 2.315 4.558 1.00 0.00 O ATOM 571 CB ASN A 37 -5.225 -0.013 4.082 1.00 0.00 C ATOM 572 CG ASN A 37 -4.318 -0.980 4.816 1.00 0.00 C ATOM 573 OD1 ASN A 37 -4.290 -1.008 6.047 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.538 -1.752 4.065 1.00 0.00 N ATOM 0 H ASN A 37 -6.985 -1.811 3.790 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.540 0.248 5.755 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.299 -0.315 3.037 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.775 0.980 4.095 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.884 -2.399 4.506 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.593 -1.697 3.048 1.00 0.00 H new ATOM 581 N GLY A 38 -7.969 0.893 2.867 1.00 0.00 N ATOM 582 CA GLY A 38 -8.746 1.840 2.078 1.00 0.00 C ATOM 583 C GLY A 38 -9.021 3.182 2.740 1.00 0.00 C ATOM 584 O GLY A 38 -8.109 3.979 2.957 1.00 0.00 O ATOM 0 H GLY A 38 -7.905 -0.034 2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.221 2.019 1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.700 1.378 1.826 1.00 0.00 H new ATOM 588 N VAL A 39 -10.301 3.459 2.970 1.00 0.00 N ATOM 589 CA VAL A 39 -10.725 4.746 3.515 1.00 0.00 C ATOM 590 C VAL A 39 -10.649 4.878 5.036 1.00 0.00 C ATOM 591 O VAL A 39 -10.049 5.828 5.540 1.00 0.00 O ATOM 592 CB VAL A 39 -12.160 5.069 3.060 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.620 6.411 3.614 1.00 0.00 C ATOM 594 CG2 VAL A 39 -12.250 5.054 1.543 1.00 0.00 C ATOM 0 H VAL A 39 -11.065 2.808 2.787 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.003 5.459 3.117 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.824 4.300 3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.637 6.614 3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.598 6.382 4.703 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.956 7.198 3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.270 5.284 1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.571 5.800 1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.974 4.067 1.172 1.00 0.00 H new ATOM 604 N ASP A 40 -11.294 3.985 5.776 1.00 0.00 N ATOM 605 CA ASP A 40 -11.320 4.096 7.237 1.00 0.00 C ATOM 606 C ASP A 40 -10.155 3.395 7.930 1.00 0.00 C ATOM 607 O ASP A 40 -10.272 3.007 9.094 1.00 0.00 O ATOM 608 CB ASP A 40 -12.640 3.539 7.775 1.00 0.00 C ATOM 609 CG ASP A 40 -13.843 4.300 7.254 1.00 0.00 C ATOM 610 OD1 ASP A 40 -13.933 5.518 7.512 1.00 0.00 O ATOM 611 OD2 ASP A 40 -14.696 3.675 6.587 1.00 0.00 O ATOM 0 H ASP A 40 -11.801 3.184 5.399 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.224 5.158 7.463 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.729 2.489 7.496 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.631 3.580 8.864 1.00 0.00 H new ATOM 616 N GLY A 41 -9.035 3.239 7.240 1.00 0.00 N ATOM 617 CA GLY A 41 -7.890 2.594 7.855 1.00 0.00 C ATOM 618 C GLY A 41 -7.333 3.404 9.013 1.00 0.00 C ATOM 619 O GLY A 41 -7.402 4.634 9.003 1.00 0.00 O ATOM 0 H GLY A 41 -8.897 3.543 6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.179 1.605 8.211 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.111 2.449 7.107 1.00 0.00 H new ATOM 623 N GLU A 42 -6.768 2.723 10.007 1.00 0.00 N ATOM 624 CA GLU A 42 -6.186 3.401 11.167 1.00 0.00 C ATOM 625 C GLU A 42 -4.817 3.973 10.813 1.00 0.00 C ATOM 626 O GLU A 42 -3.802 3.282 10.914 1.00 0.00 O ATOM 627 CB GLU A 42 -6.057 2.432 12.344 1.00 0.00 C ATOM 628 CG GLU A 42 -7.382 1.848 12.804 1.00 0.00 C ATOM 629 CD GLU A 42 -7.223 0.895 13.974 1.00 0.00 C ATOM 630 OE1 GLU A 42 -6.509 -0.118 13.823 1.00 0.00 O ATOM 631 OE2 GLU A 42 -7.813 1.165 15.043 1.00 0.00 O ATOM 0 H GLU A 42 -6.700 1.706 10.035 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.848 4.218 11.456 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.390 1.618 12.061 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.589 2.951 13.181 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.053 2.658 13.088 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.852 1.322 11.973 1.00 0.00 H new ATOM 638 N TRP A 43 -4.795 5.227 10.369 1.00 0.00 N ATOM 639 CA TRP A 43 -3.549 5.873 9.968 1.00 0.00 C ATOM 640 C TRP A 43 -3.009 6.823 11.034 1.00 0.00 C ATOM 641 O TRP A 43 -3.693 7.757 11.451 1.00 0.00 O ATOM 642 CB TRP A 43 -3.755 6.678 8.684 1.00 0.00 C ATOM 643 CG TRP A 43 -4.264 5.885 7.521 1.00 0.00 C ATOM 644 CD1 TRP A 43 -4.977 4.723 7.549 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.093 6.216 6.143 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.272 4.319 6.269 1.00 0.00 N ATOM 647 CE2 TRP A 43 -4.735 5.217 5.389 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.458 7.263 5.476 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -4.759 5.238 4.000 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.482 7.283 4.097 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.129 6.275 3.372 1.00 0.00 C ATOM 0 H TRP A 43 -5.624 5.815 10.278 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.827 5.070 9.816 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.455 7.488 8.888 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.807 7.139 8.405 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.268 4.197 8.446 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.804 3.486 6.017 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.957 8.044 6.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.258 4.463 3.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.994 8.089 3.568 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.130 6.318 2.293 1.00 0.00 H new ATOM 662 N THR A 44 -1.761 6.603 11.435 1.00 0.00 N ATOM 663 CA THR A 44 -1.105 7.466 12.408 1.00 0.00 C ATOM 664 C THR A 44 -0.050 8.305 11.693 1.00 0.00 C ATOM 665 O THR A 44 0.634 7.811 10.797 1.00 0.00 O ATOM 666 CB THR A 44 -0.468 6.639 13.527 1.00 0.00 C ATOM 667 OG1 THR A 44 0.467 5.715 13.000 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.474 5.858 14.344 1.00 0.00 C ATOM 0 H THR A 44 -1.183 5.832 11.100 1.00 0.00 H new ATOM 0 HA THR A 44 -1.845 8.123 12.865 1.00 0.00 H new ATOM 0 HB THR A 44 0.019 7.365 14.178 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.149 6.196 12.486 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.954 5.295 15.119 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.180 6.547 14.808 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.014 5.169 13.695 1.00 0.00 H new ATOM 676 N TYR A 45 0.068 9.576 12.062 1.00 0.00 N ATOM 677 CA TYR A 45 1.030 10.463 11.415 1.00 0.00 C ATOM 678 C TYR A 45 2.149 10.879 12.365 1.00 0.00 C ATOM 679 O TYR A 45 1.916 11.148 13.542 1.00 0.00 O ATOM 680 CB TYR A 45 0.320 11.706 10.873 1.00 0.00 C ATOM 681 CG TYR A 45 1.234 12.659 10.135 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.225 12.183 9.285 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.104 14.033 10.286 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.062 13.051 8.609 1.00 0.00 C ATOM 685 CE2 TYR A 45 1.936 14.907 9.612 1.00 0.00 C ATOM 686 CZ TYR A 45 2.913 14.411 8.775 1.00 0.00 C ATOM 687 OH TYR A 45 3.742 15.278 8.103 1.00 0.00 O ATOM 0 H TYR A 45 -0.485 10.013 12.799 1.00 0.00 H new ATOM 0 HA TYR A 45 1.481 9.911 10.591 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.480 11.392 10.202 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.148 12.236 11.702 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.343 11.118 9.150 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.340 14.425 10.941 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.829 12.665 7.954 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.821 15.973 9.740 1.00 0.00 H new ATOM 0 HH TYR A 45 3.503 16.201 8.330 1.00 0.00 H new ATOM 697 N ASP A 46 3.365 10.947 11.829 1.00 0.00 N ATOM 698 CA ASP A 46 4.531 11.350 12.605 1.00 0.00 C ATOM 699 C ASP A 46 5.216 12.544 11.948 1.00 0.00 C ATOM 700 O ASP A 46 6.185 12.382 11.204 1.00 0.00 O ATOM 701 CB ASP A 46 5.515 10.184 12.734 1.00 0.00 C ATOM 702 CG ASP A 46 6.739 10.543 13.557 1.00 0.00 C ATOM 703 OD1 ASP A 46 6.821 11.696 14.031 1.00 0.00 O ATOM 704 OD2 ASP A 46 7.616 9.670 13.728 1.00 0.00 O ATOM 0 H ASP A 46 3.567 10.726 10.854 1.00 0.00 H new ATOM 0 HA ASP A 46 4.200 11.640 13.602 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.009 9.335 13.193 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.830 9.867 11.740 1.00 0.00 H new ATOM 709 N ASP A 47 4.707 13.742 12.218 1.00 0.00 N ATOM 710 CA ASP A 47 5.267 14.964 11.644 1.00 0.00 C ATOM 711 C ASP A 47 6.783 15.015 11.817 1.00 0.00 C ATOM 712 O ASP A 47 7.502 15.489 10.938 1.00 0.00 O ATOM 713 CB ASP A 47 4.628 16.193 12.291 1.00 0.00 C ATOM 714 CG ASP A 47 3.127 16.245 12.081 1.00 0.00 C ATOM 715 OD1 ASP A 47 2.435 15.305 12.524 1.00 0.00 O ATOM 716 OD2 ASP A 47 2.646 17.224 11.475 1.00 0.00 O ATOM 0 H ASP A 47 3.906 13.894 12.831 1.00 0.00 H new ATOM 0 HA ASP A 47 5.047 14.963 10.577 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.842 16.190 13.360 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.081 17.094 11.878 1.00 0.00 H new ATOM 721 N ALA A 48 7.263 14.528 12.958 1.00 0.00 N ATOM 722 CA ALA A 48 8.693 14.523 13.248 1.00 0.00 C ATOM 723 C ALA A 48 9.487 13.834 12.141 1.00 0.00 C ATOM 724 O ALA A 48 10.629 14.201 11.865 1.00 0.00 O ATOM 725 CB ALA A 48 8.954 13.848 14.585 1.00 0.00 C ATOM 0 H ALA A 48 6.682 14.132 13.697 1.00 0.00 H new ATOM 0 HA ALA A 48 9.028 15.559 13.300 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.024 13.850 14.791 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.432 14.389 15.374 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.593 12.820 14.550 1.00 0.00 H new ATOM 731 N THR A 49 8.879 12.831 11.512 1.00 0.00 N ATOM 732 CA THR A 49 9.539 12.093 10.440 1.00 0.00 C ATOM 733 C THR A 49 8.825 12.282 9.102 1.00 0.00 C ATOM 734 O THR A 49 9.159 11.624 8.116 1.00 0.00 O ATOM 735 CB THR A 49 9.600 10.605 10.787 1.00 0.00 C ATOM 736 OG1 THR A 49 8.297 10.076 10.958 1.00 0.00 O ATOM 737 CG2 THR A 49 10.383 10.316 12.049 1.00 0.00 C ATOM 0 H THR A 49 7.934 12.512 11.726 1.00 0.00 H new ATOM 0 HA THR A 49 10.550 12.488 10.341 1.00 0.00 H new ATOM 0 HB THR A 49 10.110 10.133 9.947 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.357 9.123 11.178 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.387 9.242 12.237 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.408 10.667 11.930 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.919 10.830 12.891 1.00 0.00 H new ATOM 745 N LYS A 50 7.844 13.183 9.065 1.00 0.00 N ATOM 746 CA LYS A 50 7.100 13.442 7.835 1.00 0.00 C ATOM 747 C LYS A 50 6.625 12.135 7.206 1.00 0.00 C ATOM 748 O LYS A 50 6.562 12.011 5.982 1.00 0.00 O ATOM 749 CB LYS A 50 7.986 14.195 6.838 1.00 0.00 C ATOM 750 CG LYS A 50 8.347 15.604 7.278 1.00 0.00 C ATOM 751 CD LYS A 50 7.168 16.554 7.143 1.00 0.00 C ATOM 752 CE LYS A 50 6.729 16.687 5.693 1.00 0.00 C ATOM 753 NZ LYS A 50 7.845 17.127 4.811 1.00 0.00 N ATOM 0 H LYS A 50 7.548 13.741 9.866 1.00 0.00 H new ATOM 0 HA LYS A 50 6.230 14.050 8.083 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.903 13.627 6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.474 14.245 5.877 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.684 15.587 8.315 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.180 15.970 6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.335 16.191 7.746 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.441 17.534 7.534 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.345 15.730 5.341 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.910 17.403 5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.463 17.432 3.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.348 17.920 5.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.505 16.336 4.665 1.00 0.00 H new ATOM 767 N THR A 51 6.313 11.154 8.049 1.00 0.00 N ATOM 768 CA THR A 51 5.869 9.852 7.565 1.00 0.00 C ATOM 769 C THR A 51 4.525 9.449 8.166 1.00 0.00 C ATOM 770 O THR A 51 4.167 9.871 9.266 1.00 0.00 O ATOM 771 CB THR A 51 6.920 8.789 7.892 1.00 0.00 C ATOM 772 OG1 THR A 51 8.172 9.131 7.322 1.00 0.00 O ATOM 773 CG2 THR A 51 6.555 7.406 7.393 1.00 0.00 C ATOM 0 H THR A 51 6.359 11.236 9.065 1.00 0.00 H new ATOM 0 HA THR A 51 5.742 9.928 6.485 1.00 0.00 H new ATOM 0 HB THR A 51 6.971 8.762 8.980 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.486 9.976 7.706 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.344 6.703 7.659 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.618 7.090 7.851 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.440 7.429 6.309 1.00 0.00 H new ATOM 781 N PHE A 52 3.796 8.616 7.431 1.00 0.00 N ATOM 782 CA PHE A 52 2.494 8.127 7.870 1.00 0.00 C ATOM 783 C PHE A 52 2.506 6.601 7.933 1.00 0.00 C ATOM 784 O PHE A 52 3.127 5.950 7.097 1.00 0.00 O ATOM 785 CB PHE A 52 1.396 8.585 6.906 1.00 0.00 C ATOM 786 CG PHE A 52 1.369 10.069 6.664 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.442 10.707 6.059 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.267 10.824 7.031 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.415 12.068 5.829 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.235 12.187 6.801 1.00 0.00 C ATOM 791 CZ PHE A 52 1.310 12.809 6.201 1.00 0.00 C ATOM 0 H PHE A 52 4.088 8.263 6.520 1.00 0.00 H new ATOM 0 HA PHE A 52 2.290 8.533 8.861 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.529 8.075 5.952 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.429 8.275 7.301 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.308 10.133 5.765 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.577 10.342 7.502 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.257 12.553 5.358 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.631 12.764 7.091 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.288 13.874 6.022 1.00 0.00 H new ATOM 801 N THR A 53 1.813 6.031 8.911 1.00 0.00 N ATOM 802 CA THR A 53 1.754 4.581 9.050 1.00 0.00 C ATOM 803 C THR A 53 0.317 4.072 9.012 1.00 0.00 C ATOM 804 O THR A 53 -0.544 4.542 9.755 1.00 0.00 O ATOM 805 CB THR A 53 2.443 4.121 10.334 1.00 0.00 C ATOM 806 OG1 THR A 53 2.160 5.003 11.404 1.00 0.00 O ATOM 807 CG2 THR A 53 3.946 4.005 10.202 1.00 0.00 C ATOM 0 H THR A 53 1.287 6.547 9.616 1.00 0.00 H new ATOM 0 HA THR A 53 2.287 4.156 8.199 1.00 0.00 H new ATOM 0 HB THR A 53 2.042 3.128 10.535 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.365 4.690 11.884 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.370 3.674 11.150 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.188 3.281 9.424 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.364 4.976 9.937 1.00 0.00 H new ATOM 815 N VAL A 54 0.080 3.090 8.151 1.00 0.00 N ATOM 816 CA VAL A 54 -1.238 2.484 8.013 1.00 0.00 C ATOM 817 C VAL A 54 -1.253 1.124 8.704 1.00 0.00 C ATOM 818 O VAL A 54 -0.697 0.153 8.193 1.00 0.00 O ATOM 819 CB VAL A 54 -1.636 2.323 6.530 1.00 0.00 C ATOM 820 CG1 VAL A 54 -3.028 1.717 6.406 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.569 3.664 5.815 1.00 0.00 C ATOM 0 H VAL A 54 0.789 2.694 7.534 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.965 3.146 8.484 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.928 1.643 6.057 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.287 1.613 5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.042 0.736 6.882 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.753 2.368 6.895 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.852 3.534 4.771 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.254 4.365 6.292 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.553 4.055 5.869 1.00 0.00 H new ATOM 831 N THR A 55 -1.873 1.069 9.878 1.00 0.00 N ATOM 832 CA THR A 55 -1.930 -0.170 10.644 1.00 0.00 C ATOM 833 C THR A 55 -3.221 -0.939 10.390 1.00 0.00 C ATOM 834 O THR A 55 -4.306 -0.501 10.775 1.00 0.00 O ATOM 835 CB THR A 55 -1.782 0.114 12.137 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.636 0.912 12.384 1.00 0.00 O ATOM 837 CG2 THR A 55 -1.643 -1.145 12.964 1.00 0.00 C ATOM 0 H THR A 55 -2.340 1.862 10.317 1.00 0.00 H new ATOM 0 HA THR A 55 -1.099 -0.791 10.310 1.00 0.00 H new ATOM 0 HB THR A 55 -2.695 0.632 12.429 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.559 1.085 13.346 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.541 -0.880 14.016 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.528 -1.767 12.831 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.760 -1.696 12.642 1.00 0.00 H new ATOM 845 N GLU A 56 -3.090 -2.094 9.743 1.00 0.00 N ATOM 846 CA GLU A 56 -4.236 -2.945 9.437 1.00 0.00 C ATOM 847 C GLU A 56 -5.085 -3.192 10.681 1.00 0.00 C ATOM 848 O GLU A 56 -6.307 -2.938 10.623 1.00 0.00 O ATOM 849 CB GLU A 56 -3.752 -4.276 8.854 1.00 0.00 C ATOM 850 CG GLU A 56 -4.869 -5.273 8.592 1.00 0.00 C ATOM 851 CD GLU A 56 -5.916 -4.739 7.638 1.00 0.00 C ATOM 852 OE1 GLU A 56 -5.558 -4.407 6.488 1.00 0.00 O ATOM 853 OE2 GLU A 56 -7.093 -4.650 8.043 1.00 0.00 O ATOM 854 OXT GLU A 56 -4.522 -3.643 11.701 1.00 0.00 O ATOM 0 H GLU A 56 -2.196 -2.464 9.419 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.858 -2.434 8.702 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.224 -4.082 7.920 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.033 -4.723 9.540 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.444 -6.189 8.183 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.345 -5.536 9.537 1.00 0.00 H new ATOM 862 N MET B 1 6.536 18.562 -2.755 1.00 0.00 N ATOM 863 CA MET B 1 7.234 17.888 -1.629 1.00 0.00 C ATOM 864 C MET B 1 6.950 16.389 -1.623 1.00 0.00 C ATOM 865 O MET B 1 5.875 15.951 -2.032 1.00 0.00 O ATOM 866 CB MET B 1 6.768 18.522 -0.317 1.00 0.00 C ATOM 867 CG MET B 1 7.440 17.938 0.917 1.00 0.00 C ATOM 868 SD MET B 1 9.229 18.163 0.904 1.00 0.00 S ATOM 869 CE MET B 1 9.672 17.427 2.476 1.00 0.00 C ATOM 0 H1 MET B 1 7.237 18.903 -3.444 1.00 0.00 H new ATOM 0 H2 MET B 1 5.894 17.888 -3.219 1.00 0.00 H new ATOM 0 H3 MET B 1 5.988 19.368 -2.391 1.00 0.00 H new ATOM 0 HA MET B 1 8.310 18.016 -1.746 1.00 0.00 H new ATOM 0 HB2 MET B 1 6.962 19.594 -0.353 1.00 0.00 H new ATOM 0 HB3 MET B 1 5.689 18.396 -0.226 1.00 0.00 H new ATOM 0 HG2 MET B 1 7.025 18.408 1.809 1.00 0.00 H new ATOM 0 HG3 MET B 1 7.212 16.874 0.981 1.00 0.00 H new ATOM 0 HE1 MET B 1 10.730 17.164 2.469 1.00 0.00 H new ATOM 0 HE2 MET B 1 9.480 18.140 3.278 1.00 0.00 H new ATOM 0 HE3 MET B 1 9.076 16.529 2.638 1.00 0.00 H new ATOM 881 N GLN B 2 7.920 15.611 -1.159 1.00 0.00 N ATOM 882 CA GLN B 2 7.777 14.161 -1.099 1.00 0.00 C ATOM 883 C GLN B 2 7.586 13.699 0.344 1.00 0.00 C ATOM 884 O GLN B 2 8.230 14.214 1.257 1.00 0.00 O ATOM 885 CB GLN B 2 9.010 13.484 -1.700 1.00 0.00 C ATOM 886 CG GLN B 2 8.898 11.971 -1.781 1.00 0.00 C ATOM 887 CD GLN B 2 7.837 11.517 -2.764 1.00 0.00 C ATOM 888 OE1 GLN B 2 6.817 10.833 -2.262 1.00 0.00 O flip ATOM 889 NE2 GLN B 2 7.931 11.784 -3.962 1.00 0.00 N flip ATOM 0 H GLN B 2 8.816 15.960 -0.818 1.00 0.00 H new ATOM 0 HA GLN B 2 6.896 13.879 -1.676 1.00 0.00 H new ATOM 0 HB2 GLN B 2 9.180 13.881 -2.701 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.884 13.743 -1.102 1.00 0.00 H new ATOM 0 HG2 GLN B 2 9.862 11.554 -2.074 1.00 0.00 H new ATOM 0 HG3 GLN B 2 8.666 11.574 -0.793 1.00 0.00 H new ATOM 0 HE21 GLN B 2 8.733 12.313 -4.305 1.00 0.00 H new ATOM 0 HE22 GLN B 2 7.207 11.477 -4.611 1.00 0.00 H new ATOM 898 N TYR B 3 6.700 12.728 0.546 1.00 0.00 N ATOM 899 CA TYR B 3 6.438 12.207 1.883 1.00 0.00 C ATOM 900 C TYR B 3 6.589 10.693 1.920 1.00 0.00 C ATOM 901 O TYR B 3 6.394 10.012 0.913 1.00 0.00 O ATOM 902 CB TYR B 3 5.034 12.602 2.346 1.00 0.00 C ATOM 903 CG TYR B 3 4.836 14.095 2.482 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.850 14.920 1.365 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.631 14.677 3.727 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.667 16.284 1.485 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.446 16.041 3.853 1.00 0.00 C ATOM 908 CZ TYR B 3 4.466 16.839 2.730 1.00 0.00 C ATOM 909 OH TYR B 3 4.283 18.197 2.852 1.00 0.00 O ATOM 0 H TYR B 3 6.154 12.288 -0.195 1.00 0.00 H new ATOM 0 HA TYR B 3 7.172 12.643 2.561 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.304 12.211 1.637 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.831 12.129 3.307 1.00 0.00 H new ATOM 0 HD1 TYR B 3 5.006 14.489 0.387 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.616 14.054 4.609 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.681 16.913 0.607 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.287 16.479 4.827 1.00 0.00 H new ATOM 0 HH TYR B 3 4.153 18.426 3.796 1.00 0.00 H new ATOM 919 N LYS B 4 6.931 10.172 3.093 1.00 0.00 N ATOM 920 CA LYS B 4 7.103 8.736 3.271 1.00 0.00 C ATOM 921 C LYS B 4 5.854 8.119 3.886 1.00 0.00 C ATOM 922 O LYS B 4 5.351 8.588 4.904 1.00 0.00 O ATOM 923 CB LYS B 4 8.317 8.456 4.161 1.00 0.00 C ATOM 924 CG LYS B 4 8.568 6.976 4.406 1.00 0.00 C ATOM 925 CD LYS B 4 8.923 6.246 3.121 1.00 0.00 C ATOM 926 CE LYS B 4 10.208 6.787 2.510 1.00 0.00 C ATOM 927 NZ LYS B 4 10.603 6.032 1.288 1.00 0.00 N ATOM 0 H LYS B 4 7.095 10.724 3.935 1.00 0.00 H new ATOM 0 HA LYS B 4 7.268 8.285 2.292 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.203 8.894 3.701 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.176 8.955 5.120 1.00 0.00 H new ATOM 0 HG2 LYS B 4 9.377 6.859 5.127 1.00 0.00 H new ATOM 0 HG3 LYS B 4 7.680 6.524 4.848 1.00 0.00 H new ATOM 0 HD2 LYS B 4 9.036 5.181 3.325 1.00 0.00 H new ATOM 0 HD3 LYS B 4 8.107 6.349 2.406 1.00 0.00 H new ATOM 0 HE2 LYS B 4 10.076 7.840 2.259 1.00 0.00 H new ATOM 0 HE3 LYS B 4 11.011 6.733 3.246 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 10.962 6.695 0.571 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 11.347 5.346 1.529 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 9.776 5.527 0.909 1.00 0.00 H new ATOM 941 N VAL B 5 5.360 7.061 3.260 1.00 0.00 N ATOM 942 CA VAL B 5 4.174 6.373 3.746 1.00 0.00 C ATOM 943 C VAL B 5 4.501 4.925 4.090 1.00 0.00 C ATOM 944 O VAL B 5 4.927 4.149 3.237 1.00 0.00 O ATOM 945 CB VAL B 5 3.032 6.416 2.708 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.785 5.724 3.244 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.726 7.853 2.314 1.00 0.00 C ATOM 0 H VAL B 5 5.763 6.660 2.413 1.00 0.00 H new ATOM 0 HA VAL B 5 3.840 6.891 4.645 1.00 0.00 H new ATOM 0 HB VAL B 5 3.358 5.878 1.818 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.994 5.767 2.495 1.00 0.00 H new ATOM 0 HG12 VAL B 5 2.015 4.683 3.469 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.452 6.226 4.152 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.919 7.865 1.582 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.424 8.416 3.197 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.616 8.309 1.880 1.00 0.00 H new ATOM 957 N ILE B 6 4.311 4.572 5.353 1.00 0.00 N ATOM 958 CA ILE B 6 4.591 3.225 5.825 1.00 0.00 C ATOM 959 C ILE B 6 3.307 2.418 5.990 1.00 0.00 C ATOM 960 O ILE B 6 2.387 2.831 6.692 1.00 0.00 O ATOM 961 CB ILE B 6 5.349 3.263 7.169 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.725 3.909 6.984 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.486 1.867 7.751 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.535 3.983 8.261 1.00 0.00 C ATOM 0 H ILE B 6 3.962 5.205 6.073 1.00 0.00 H new ATOM 0 HA ILE B 6 5.215 2.741 5.074 1.00 0.00 H new ATOM 0 HB ILE B 6 4.774 3.866 7.872 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.286 3.343 6.240 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.594 4.916 6.587 1.00 0.00 H new ATOM 0 HG21 ILE B 6 6.023 1.919 8.698 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.496 1.444 7.919 1.00 0.00 H new ATOM 0 HG23 ILE B 6 6.037 1.235 7.055 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.497 4.452 8.055 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.995 4.574 9.001 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.697 2.977 8.648 1.00 0.00 H new ATOM 976 N LEU B 7 3.244 1.267 5.331 1.00 0.00 N ATOM 977 CA LEU B 7 2.067 0.411 5.406 1.00 0.00 C ATOM 978 C LEU B 7 2.354 -0.815 6.276 1.00 0.00 C ATOM 979 O LEU B 7 2.890 -1.815 5.797 1.00 0.00 O ATOM 980 CB LEU B 7 1.652 -0.014 3.995 1.00 0.00 C ATOM 981 CG LEU B 7 1.671 1.107 2.959 1.00 0.00 C ATOM 982 CD1 LEU B 7 1.224 0.583 1.603 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.792 2.261 3.416 1.00 0.00 C ATOM 0 H LEU B 7 3.993 0.906 4.740 1.00 0.00 H new ATOM 0 HA LEU B 7 1.248 0.966 5.864 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.316 -0.811 3.660 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.647 -0.434 4.038 1.00 0.00 H new ATOM 0 HG LEU B 7 2.691 1.476 2.858 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.243 1.394 0.875 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.898 -0.211 1.280 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.211 0.189 1.681 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.814 3.054 2.668 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.232 1.910 3.542 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.163 2.647 4.365 1.00 0.00 H new ATOM 995 N ASN B 8 2.003 -0.724 7.559 1.00 0.00 N ATOM 996 CA ASN B 8 2.238 -1.823 8.497 1.00 0.00 C ATOM 997 C ASN B 8 0.958 -2.596 8.803 1.00 0.00 C ATOM 998 O ASN B 8 0.076 -2.099 9.497 1.00 0.00 O ATOM 999 CB ASN B 8 2.833 -1.302 9.808 1.00 0.00 C ATOM 1000 CG ASN B 8 4.202 -0.677 9.625 1.00 0.00 C ATOM 1001 OD1 ASN B 8 4.369 0.536 10.137 1.00 0.00 O flip ATOM 1002 ND2 ASN B 8 5.102 -1.284 9.046 1.00 0.00 N flip ATOM 0 H ASN B 8 1.557 0.095 7.972 1.00 0.00 H new ATOM 0 HA ASN B 8 2.944 -2.499 8.016 1.00 0.00 H new ATOM 0 HB2 ASN B 8 2.157 -0.564 10.241 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.906 -2.124 10.520 1.00 0.00 H new ATOM 0 HD21 ASN B 8 4.928 -2.215 8.668 1.00 0.00 H new ATOM 0 HD22 ASN B 8 6.022 -0.856 8.944 1.00 0.00 H new ATOM 1009 N GLY B 9 0.868 -3.821 8.296 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.304 -4.642 8.547 1.00 0.00 C ATOM 1011 C GLY B 9 0.026 -5.884 9.344 1.00 0.00 C ATOM 1012 O GLY B 9 1.104 -5.988 9.929 1.00 0.00 O ATOM 0 H GLY B 9 1.584 -4.260 7.717 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -1.048 -4.055 9.085 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.753 -4.931 7.597 1.00 0.00 H new ATOM 1016 N LYS B 10 -0.905 -6.830 9.370 1.00 0.00 N ATOM 1017 CA LYS B 10 -0.708 -8.073 10.103 1.00 0.00 C ATOM 1018 C LYS B 10 0.186 -9.034 9.324 1.00 0.00 C ATOM 1019 O LYS B 10 1.219 -9.480 9.823 1.00 0.00 O ATOM 1020 CB LYS B 10 -2.057 -8.740 10.385 1.00 0.00 C ATOM 1021 CG LYS B 10 -3.006 -7.876 11.201 1.00 0.00 C ATOM 1022 CD LYS B 10 -2.417 -7.533 12.559 1.00 0.00 C ATOM 1023 CE LYS B 10 -3.367 -6.672 13.376 1.00 0.00 C ATOM 1024 NZ LYS B 10 -4.671 -7.351 13.612 1.00 0.00 N ATOM 0 H LYS B 10 -1.803 -6.759 8.892 1.00 0.00 H new ATOM 0 HA LYS B 10 -0.218 -7.832 11.046 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.533 -8.992 9.437 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -1.886 -9.677 10.915 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -3.224 -6.958 10.655 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -3.952 -8.400 11.335 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -2.196 -8.451 13.104 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -1.472 -7.007 12.425 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -2.905 -6.431 14.333 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -3.538 -5.728 12.858 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -5.194 -6.848 14.357 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -5.229 -7.347 12.734 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -4.502 -8.333 13.910 1.00 0.00 H new ATOM 1038 N THR B 11 -0.231 -9.361 8.105 1.00 0.00 N ATOM 1039 CA THR B 11 0.504 -10.281 7.254 1.00 0.00 C ATOM 1040 C THR B 11 1.209 -9.551 6.118 1.00 0.00 C ATOM 1041 O THR B 11 1.758 -10.183 5.214 1.00 0.00 O ATOM 1042 CB THR B 11 -0.468 -11.305 6.679 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.659 -10.666 6.251 1.00 0.00 O ATOM 1044 CG2 THR B 11 -0.855 -12.386 7.661 1.00 0.00 C ATOM 0 H THR B 11 -1.085 -8.996 7.683 1.00 0.00 H new ATOM 0 HA THR B 11 1.267 -10.775 7.856 1.00 0.00 H new ATOM 0 HB THR B 11 0.058 -11.772 5.847 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.431 -11.223 6.484 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.548 -13.079 7.184 1.00 0.00 H new ATOM 0 HG22 THR B 11 0.037 -12.926 7.978 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.334 -11.934 8.530 1.00 0.00 H new ATOM 1052 N LEU B 12 1.183 -8.226 6.152 1.00 0.00 N ATOM 1053 CA LEU B 12 1.812 -7.438 5.107 1.00 0.00 C ATOM 1054 C LEU B 12 2.605 -6.270 5.688 1.00 0.00 C ATOM 1055 O LEU B 12 2.135 -5.564 6.579 1.00 0.00 O ATOM 1056 CB LEU B 12 0.746 -6.941 4.126 1.00 0.00 C ATOM 1057 CG LEU B 12 1.268 -6.097 2.970 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.427 -6.803 2.298 1.00 0.00 C ATOM 1059 CD2 LEU B 12 0.155 -5.817 1.967 1.00 0.00 C ATOM 0 H LEU B 12 0.736 -7.679 6.888 1.00 0.00 H new ATOM 0 HA LEU B 12 2.520 -8.073 4.574 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.222 -7.805 3.716 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.012 -6.356 4.679 1.00 0.00 H new ATOM 0 HG LEU B 12 1.619 -5.142 3.362 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.795 -6.194 1.473 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.228 -6.956 3.021 1.00 0.00 H new ATOM 0 HD13 LEU B 12 2.093 -7.768 1.916 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.546 -5.213 1.148 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.225 -6.759 1.573 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.653 -5.278 2.461 1.00 0.00 H new ATOM 1071 N LYS B 13 3.812 -6.076 5.161 1.00 0.00 N ATOM 1072 CA LYS B 13 4.694 -4.998 5.604 1.00 0.00 C ATOM 1073 C LYS B 13 5.362 -4.342 4.400 1.00 0.00 C ATOM 1074 O LYS B 13 5.793 -5.033 3.477 1.00 0.00 O ATOM 1075 CB LYS B 13 5.773 -5.542 6.545 1.00 0.00 C ATOM 1076 CG LYS B 13 5.232 -6.315 7.736 1.00 0.00 C ATOM 1077 CD LYS B 13 4.418 -5.427 8.663 1.00 0.00 C ATOM 1078 CE LYS B 13 3.931 -6.201 9.877 1.00 0.00 C ATOM 1079 NZ LYS B 13 3.170 -7.422 9.490 1.00 0.00 N ATOM 0 H LYS B 13 4.204 -6.657 4.420 1.00 0.00 H new ATOM 0 HA LYS B 13 4.094 -4.260 6.136 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.440 -6.191 5.978 1.00 0.00 H new ATOM 0 HB3 LYS B 13 6.374 -4.709 6.910 1.00 0.00 H new ATOM 0 HG2 LYS B 13 4.611 -7.138 7.383 1.00 0.00 H new ATOM 0 HG3 LYS B 13 6.061 -6.756 8.290 1.00 0.00 H new ATOM 0 HD2 LYS B 13 5.025 -4.582 8.987 1.00 0.00 H new ATOM 0 HD3 LYS B 13 3.564 -5.018 8.123 1.00 0.00 H new ATOM 0 HE2 LYS B 13 4.785 -6.485 10.492 1.00 0.00 H new ATOM 0 HE3 LYS B 13 3.298 -5.557 10.488 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 2.246 -7.421 9.967 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 3.027 -7.430 8.460 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 3.705 -8.268 9.772 1.00 0.00 H new ATOM 1093 N GLY B 14 5.451 -3.015 4.400 1.00 0.00 N ATOM 1094 CA GLY B 14 6.077 -2.331 3.283 1.00 0.00 C ATOM 1095 C GLY B 14 6.235 -0.839 3.494 1.00 0.00 C ATOM 1096 O GLY B 14 5.913 -0.311 4.559 1.00 0.00 O ATOM 0 H GLY B 14 5.106 -2.408 5.143 1.00 0.00 H new ATOM 0 HA2 GLY B 14 7.059 -2.770 3.104 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.483 -2.501 2.385 1.00 0.00 H new ATOM 1100 N GLU B 15 6.732 -0.160 2.462 1.00 0.00 N ATOM 1101 CA GLU B 15 6.940 1.282 2.509 1.00 0.00 C ATOM 1102 C GLU B 15 6.627 1.911 1.155 1.00 0.00 C ATOM 1103 O GLU B 15 6.920 1.334 0.107 1.00 0.00 O ATOM 1104 CB GLU B 15 8.380 1.601 2.917 1.00 0.00 C ATOM 1105 CG GLU B 15 8.761 1.053 4.282 1.00 0.00 C ATOM 1106 CD GLU B 15 10.191 1.378 4.663 1.00 0.00 C ATOM 1107 OE1 GLU B 15 11.112 0.961 3.929 1.00 0.00 O ATOM 1108 OE2 GLU B 15 10.392 2.049 5.697 1.00 0.00 O ATOM 0 H GLU B 15 6.999 -0.592 1.577 1.00 0.00 H new ATOM 0 HA GLU B 15 6.264 1.702 3.254 1.00 0.00 H new ATOM 0 HB2 GLU B 15 9.060 1.194 2.169 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.518 2.682 2.917 1.00 0.00 H new ATOM 0 HG2 GLU B 15 8.087 1.462 5.034 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.625 -0.028 4.286 1.00 0.00 H new ATOM 1115 N THR B 16 6.023 3.092 1.185 1.00 0.00 N ATOM 1116 CA THR B 16 5.654 3.803 -0.032 1.00 0.00 C ATOM 1117 C THR B 16 5.879 5.307 0.123 1.00 0.00 C ATOM 1118 O THR B 16 6.138 5.787 1.223 1.00 0.00 O ATOM 1119 CB THR B 16 4.197 3.497 -0.393 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.683 4.486 -1.251 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.276 3.401 0.803 1.00 0.00 C ATOM 0 H THR B 16 5.777 3.581 2.046 1.00 0.00 H new ATOM 0 HA THR B 16 6.293 3.459 -0.845 1.00 0.00 H new ATOM 0 HB THR B 16 4.224 2.521 -0.877 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.704 4.436 -1.258 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.263 3.182 0.465 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.619 2.604 1.463 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.282 4.347 1.344 1.00 0.00 H new ATOM 1129 N THR B 17 5.800 6.048 -0.987 1.00 0.00 N ATOM 1130 CA THR B 17 6.019 7.495 -0.948 1.00 0.00 C ATOM 1131 C THR B 17 5.109 8.254 -1.920 1.00 0.00 C ATOM 1132 O THR B 17 5.122 8.006 -3.126 1.00 0.00 O ATOM 1133 CB THR B 17 7.482 7.809 -1.262 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.840 7.317 -2.541 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.446 7.222 -0.257 1.00 0.00 C ATOM 0 H THR B 17 5.589 5.674 -1.912 1.00 0.00 H new ATOM 0 HA THR B 17 5.771 7.830 0.059 1.00 0.00 H new ATOM 0 HB THR B 17 7.558 8.896 -1.224 1.00 0.00 H new ATOM 0 HG1 THR B 17 7.057 7.337 -3.130 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.467 7.481 -0.538 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.229 7.623 0.733 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.339 6.137 -0.240 1.00 0.00 H new ATOM 1143 N THR B 18 4.333 9.193 -1.376 1.00 0.00 N ATOM 1144 CA THR B 18 3.420 10.018 -2.172 1.00 0.00 C ATOM 1145 C THR B 18 3.933 11.456 -2.237 1.00 0.00 C ATOM 1146 O THR B 18 4.526 11.953 -1.279 1.00 0.00 O ATOM 1147 CB THR B 18 2.018 10.004 -1.557 1.00 0.00 C ATOM 1148 OG1 THR B 18 1.113 10.717 -2.377 1.00 0.00 O ATOM 1149 CG2 THR B 18 1.962 10.614 -0.171 1.00 0.00 C ATOM 0 H THR B 18 4.319 9.403 -0.378 1.00 0.00 H new ATOM 0 HA THR B 18 3.372 9.606 -3.180 1.00 0.00 H new ATOM 0 HB THR B 18 1.744 8.952 -1.480 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.361 10.599 -3.318 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.940 10.571 0.204 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.618 10.057 0.498 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.288 11.653 -0.217 1.00 0.00 H new ATOM 1157 N GLU B 19 3.699 12.121 -3.361 1.00 0.00 N ATOM 1158 CA GLU B 19 4.135 13.503 -3.534 1.00 0.00 C ATOM 1159 C GLU B 19 2.937 14.444 -3.448 1.00 0.00 C ATOM 1160 O GLU B 19 2.020 14.366 -4.266 1.00 0.00 O ATOM 1161 CB GLU B 19 4.849 13.665 -4.882 1.00 0.00 C ATOM 1162 CG GLU B 19 5.492 15.029 -5.086 1.00 0.00 C ATOM 1163 CD GLU B 19 4.478 16.151 -5.206 1.00 0.00 C ATOM 1164 OE1 GLU B 19 3.646 16.101 -6.137 1.00 0.00 O ATOM 1165 OE2 GLU B 19 4.518 17.077 -4.370 1.00 0.00 O ATOM 0 H GLU B 19 3.211 11.728 -4.166 1.00 0.00 H new ATOM 0 HA GLU B 19 4.835 13.757 -2.738 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.617 12.897 -4.968 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.132 13.490 -5.684 1.00 0.00 H new ATOM 0 HG2 GLU B 19 6.160 15.238 -4.250 1.00 0.00 H new ATOM 0 HG3 GLU B 19 6.106 15.004 -5.986 1.00 0.00 H new ATOM 1172 N ALA B 20 2.936 15.325 -2.449 1.00 0.00 N ATOM 1173 CA ALA B 20 1.832 16.260 -2.271 1.00 0.00 C ATOM 1174 C ALA B 20 2.296 17.584 -1.665 1.00 0.00 C ATOM 1175 O ALA B 20 3.271 17.636 -0.916 1.00 0.00 O ATOM 1176 CB ALA B 20 0.756 15.626 -1.405 1.00 0.00 C ATOM 0 H ALA B 20 3.681 15.409 -1.757 1.00 0.00 H new ATOM 0 HA ALA B 20 1.421 16.484 -3.255 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -0.067 16.329 -1.275 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.387 14.721 -1.887 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.175 15.373 -0.431 1.00 0.00 H new ATOM 1182 N VAL B 21 1.594 18.654 -2.025 1.00 0.00 N ATOM 1183 CA VAL B 21 1.920 20.000 -1.555 1.00 0.00 C ATOM 1184 C VAL B 21 2.068 20.060 -0.034 1.00 0.00 C ATOM 1185 O VAL B 21 2.916 20.786 0.485 1.00 0.00 O ATOM 1186 CB VAL B 21 0.840 21.009 -1.986 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.273 22.431 -1.667 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.524 20.854 -3.467 1.00 0.00 C ATOM 0 H VAL B 21 0.787 18.615 -2.647 1.00 0.00 H new ATOM 0 HA VAL B 21 2.876 20.261 -2.009 1.00 0.00 H new ATOM 0 HB VAL B 21 -0.069 20.801 -1.422 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.495 23.127 -1.980 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.438 22.529 -0.594 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.198 22.658 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -0.241 21.575 -3.753 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.426 21.031 -4.052 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.160 19.844 -3.658 1.00 0.00 H new ATOM 1198 N ASP B 22 1.245 19.297 0.673 1.00 0.00 N ATOM 1199 CA ASP B 22 1.301 19.275 2.133 1.00 0.00 C ATOM 1200 C ASP B 22 0.962 17.892 2.681 1.00 0.00 C ATOM 1201 O ASP B 22 0.567 16.996 1.933 1.00 0.00 O ATOM 1202 CB ASP B 22 0.361 20.330 2.723 1.00 0.00 C ATOM 1203 CG ASP B 22 -1.096 20.056 2.414 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -1.621 19.034 2.897 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.712 20.866 1.689 1.00 0.00 O ATOM 0 H ASP B 22 0.535 18.689 0.265 1.00 0.00 H new ATOM 0 HA ASP B 22 2.323 19.511 2.431 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.498 20.368 3.804 1.00 0.00 H new ATOM 0 HB3 ASP B 22 0.632 21.311 2.333 1.00 0.00 H new ATOM 1210 N ALA B 23 1.130 17.723 3.989 1.00 0.00 N ATOM 1211 CA ALA B 23 0.857 16.447 4.639 1.00 0.00 C ATOM 1212 C ALA B 23 -0.582 16.005 4.419 1.00 0.00 C ATOM 1213 O ALA B 23 -0.841 14.835 4.136 1.00 0.00 O ATOM 1214 CB ALA B 23 1.165 16.533 6.126 1.00 0.00 C ATOM 0 H ALA B 23 1.455 18.456 4.620 1.00 0.00 H new ATOM 0 HA ALA B 23 1.507 15.698 4.187 1.00 0.00 H new ATOM 0 HB1 ALA B 23 0.956 15.572 6.597 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.216 16.785 6.266 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.544 17.304 6.582 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.515 16.937 4.542 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.923 16.624 4.342 1.00 0.00 C ATOM 1222 C ALA B 24 -3.152 16.152 2.917 1.00 0.00 C ATOM 1223 O ALA B 24 -3.665 15.056 2.690 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.793 17.828 4.659 1.00 0.00 C ATOM 0 H ALA B 24 -1.325 17.911 4.778 1.00 0.00 H new ATOM 0 HA ALA B 24 -3.203 15.821 5.024 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.841 17.571 4.503 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.643 18.122 5.698 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.521 18.656 4.004 1.00 0.00 H new ATOM 1230 N THR B 25 -2.737 16.969 1.951 1.00 0.00 N ATOM 1231 CA THR B 25 -2.870 16.611 0.552 1.00 0.00 C ATOM 1232 C THR B 25 -2.256 15.238 0.332 1.00 0.00 C ATOM 1233 O THR B 25 -2.857 14.368 -0.297 1.00 0.00 O ATOM 1234 CB THR B 25 -2.181 17.653 -0.326 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.811 17.765 0.005 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.796 19.032 -0.219 1.00 0.00 C ATOM 0 H THR B 25 -2.308 17.879 2.117 1.00 0.00 H new ATOM 0 HA THR B 25 -3.925 16.582 0.279 1.00 0.00 H new ATOM 0 HB THR B 25 -2.310 17.296 -1.348 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.691 17.595 0.963 1.00 0.00 H new ATOM 0 HG21 THR B 25 -2.258 19.722 -0.869 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.842 18.989 -0.523 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.732 19.380 0.812 1.00 0.00 H new ATOM 1244 N ALA B 26 -1.067 15.044 0.893 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.387 13.765 0.800 1.00 0.00 C ATOM 1246 C ALA B 26 -1.264 12.687 1.415 1.00 0.00 C ATOM 1247 O ALA B 26 -1.570 11.680 0.777 1.00 0.00 O ATOM 1248 CB ALA B 26 0.965 13.822 1.498 1.00 0.00 C ATOM 0 H ALA B 26 -0.558 15.757 1.415 1.00 0.00 H new ATOM 0 HA ALA B 26 -0.209 13.528 -0.249 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.458 12.853 1.416 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.585 14.585 1.028 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.821 14.068 2.550 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.691 12.919 2.658 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.559 11.984 3.358 1.00 0.00 C ATOM 1256 C GLU B 27 -3.738 11.597 2.474 1.00 0.00 C ATOM 1257 O GLU B 27 -4.047 10.417 2.313 1.00 0.00 O ATOM 1258 CB GLU B 27 -3.066 12.608 4.660 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.974 11.690 5.461 1.00 0.00 C ATOM 1260 CD GLU B 27 -4.455 12.326 6.750 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -5.115 13.383 6.681 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -4.169 11.766 7.832 1.00 0.00 O ATOM 0 H GLU B 27 -1.446 13.750 3.197 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.986 11.087 3.595 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -2.211 12.888 5.276 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.605 13.526 4.427 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.835 11.415 4.852 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -3.440 10.768 5.692 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.380 12.604 1.889 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.513 12.372 1.005 1.00 0.00 C ATOM 1271 C LYS B 28 -5.075 11.565 -0.205 1.00 0.00 C ATOM 1272 O LYS B 28 -5.722 10.586 -0.581 1.00 0.00 O ATOM 1273 CB LYS B 28 -6.121 13.702 0.556 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.654 14.541 1.704 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.662 13.763 2.531 1.00 0.00 C ATOM 1276 CE LYS B 28 -8.196 14.594 3.685 1.00 0.00 C ATOM 1277 NZ LYS B 28 -8.886 15.826 3.211 1.00 0.00 N ATOM 0 H LYS B 28 -4.134 13.586 2.012 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.270 11.809 1.551 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.366 14.275 0.018 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.931 13.504 -0.146 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.828 14.860 2.339 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -7.121 15.444 1.311 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.489 13.447 1.895 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.195 12.858 2.919 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.889 13.994 4.274 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -7.373 14.870 4.345 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.435 16.239 3.992 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -8.180 16.515 2.882 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -9.526 15.586 2.427 1.00 0.00 H new ATOM 1291 N VAL B 29 -3.960 11.971 -0.802 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.421 11.276 -1.961 1.00 0.00 C ATOM 1293 C VAL B 29 -3.211 9.805 -1.642 1.00 0.00 C ATOM 1294 O VAL B 29 -3.555 8.930 -2.437 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.089 11.900 -2.418 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -1.503 11.122 -3.585 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.283 13.363 -2.790 1.00 0.00 C ATOM 0 H VAL B 29 -3.413 12.778 -0.501 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.143 11.373 -2.772 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.385 11.849 -1.588 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.563 11.580 -3.892 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.322 10.091 -3.281 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.203 11.137 -4.420 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.331 13.786 -3.110 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -3.006 13.439 -3.603 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.652 13.913 -1.924 1.00 0.00 H new ATOM 1307 N VAL B 30 -2.668 9.541 -0.463 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.443 8.177 -0.028 1.00 0.00 C ATOM 1309 C VAL B 30 -3.790 7.484 0.162 1.00 0.00 C ATOM 1310 O VAL B 30 -4.010 6.387 -0.344 1.00 0.00 O ATOM 1311 CB VAL B 30 -1.640 8.131 1.286 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.406 6.695 1.733 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.318 8.865 1.126 1.00 0.00 C ATOM 0 H VAL B 30 -2.377 10.254 0.206 1.00 0.00 H new ATOM 0 HA VAL B 30 -1.861 7.661 -0.792 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.224 8.632 2.058 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -0.837 6.691 2.663 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.365 6.203 1.893 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -0.848 6.161 0.964 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.237 8.823 2.063 1.00 0.00 H new ATOM 0 HG22 VAL B 30 0.267 8.393 0.336 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.509 9.906 0.864 1.00 0.00 H new ATOM 1323 N LYS B 31 -4.700 8.139 0.885 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.028 7.579 1.111 1.00 0.00 C ATOM 1325 C LYS B 31 -6.684 7.216 -0.212 1.00 0.00 C ATOM 1326 O LYS B 31 -7.260 6.141 -0.351 1.00 0.00 O ATOM 1327 CB LYS B 31 -6.915 8.548 1.896 1.00 0.00 C ATOM 1328 CG LYS B 31 -6.488 8.711 3.346 1.00 0.00 C ATOM 1329 CD LYS B 31 -7.506 9.502 4.148 1.00 0.00 C ATOM 1330 CE LYS B 31 -8.791 8.715 4.342 1.00 0.00 C ATOM 1331 NZ LYS B 31 -9.787 9.467 5.158 1.00 0.00 N ATOM 0 H LYS B 31 -4.542 9.048 1.319 1.00 0.00 H new ATOM 0 HA LYS B 31 -5.911 6.674 1.707 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -6.898 9.522 1.408 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -7.945 8.193 1.865 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -6.353 7.728 3.798 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -5.522 9.215 3.386 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -7.085 9.760 5.120 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -7.725 10.439 3.637 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -9.223 8.480 3.369 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -8.565 7.766 4.829 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -10.649 8.895 5.267 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -9.385 9.670 6.096 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -10.022 10.361 4.681 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.571 8.106 -1.191 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.139 7.851 -2.509 1.00 0.00 C ATOM 1347 C GLN B 32 -6.489 6.609 -3.104 1.00 0.00 C ATOM 1348 O GLN B 32 -7.143 5.791 -3.753 1.00 0.00 O ATOM 1349 CB GLN B 32 -6.930 9.055 -3.429 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.566 8.894 -4.803 1.00 0.00 C ATOM 1351 CD GLN B 32 -9.088 8.793 -4.770 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -9.697 9.038 -3.610 1.00 0.00 O flip ATOM 1353 NE2 GLN B 32 -9.715 8.512 -5.791 1.00 0.00 N flip ATOM 0 H GLN B 32 -6.095 9.004 -1.099 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.212 7.686 -2.410 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.342 9.943 -2.950 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -5.860 9.226 -3.551 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.281 9.742 -5.426 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.162 8.000 -5.277 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -9.216 8.330 -6.662 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -10.733 8.461 -5.766 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.192 6.473 -2.853 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.416 5.334 -3.326 1.00 0.00 C ATOM 1364 C PHE B 33 -5.098 4.027 -2.905 1.00 0.00 C ATOM 1365 O PHE B 33 -5.559 3.250 -3.741 1.00 0.00 O ATOM 1366 CB PHE B 33 -2.999 5.431 -2.737 1.00 0.00 C ATOM 1367 CG PHE B 33 -1.998 4.476 -3.319 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.481 4.686 -4.586 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.562 3.377 -2.592 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.549 3.818 -5.118 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.631 2.506 -3.123 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.125 2.728 -4.389 1.00 0.00 C ATOM 0 H PHE B 33 -4.649 7.149 -2.316 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.354 5.343 -4.414 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.633 6.448 -2.879 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.057 5.261 -1.662 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -1.810 5.537 -5.164 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -1.955 3.201 -1.601 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.152 3.993 -6.107 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.299 1.653 -2.550 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.602 2.048 -4.807 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.163 3.814 -1.596 1.00 0.00 N ATOM 1383 CA PHE B 34 -5.793 2.622 -1.024 1.00 0.00 C ATOM 1384 C PHE B 34 -7.295 2.628 -1.262 1.00 0.00 C ATOM 1385 O PHE B 34 -7.888 1.598 -1.580 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.466 2.537 0.459 1.00 0.00 C ATOM 1387 CG PHE B 34 -3.989 2.548 0.685 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.185 1.617 0.054 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.403 3.502 1.492 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -1.819 1.636 0.226 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.036 3.525 1.673 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.244 2.589 1.035 1.00 0.00 C ATOM 0 H PHE B 34 -4.784 4.457 -0.901 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.395 1.737 -1.521 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -5.924 3.375 0.984 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -5.894 1.626 0.878 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.633 0.867 -0.581 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.021 4.237 1.986 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.200 0.905 -0.273 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -1.586 4.271 2.311 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.173 2.606 1.172 1.00 0.00 H new ATOM 1402 N ASN B 35 -7.900 3.799 -1.133 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.331 3.954 -1.365 1.00 0.00 C ATOM 1404 C ASN B 35 -9.702 3.356 -2.720 1.00 0.00 C ATOM 1405 O ASN B 35 -10.749 2.732 -2.884 1.00 0.00 O ATOM 1406 CB ASN B 35 -9.682 5.441 -1.350 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.153 5.705 -1.566 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.766 5.180 -2.495 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -11.719 6.548 -0.717 1.00 0.00 N ATOM 0 H ASN B 35 -7.421 4.660 -0.868 1.00 0.00 H new ATOM 0 HA ASN B 35 -9.885 3.436 -0.582 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.378 5.870 -0.395 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.110 5.951 -2.125 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -12.705 6.788 -0.818 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.169 6.958 0.038 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.812 3.572 -3.683 1.00 0.00 N ATOM 1417 CA ASP B 36 -8.999 3.081 -5.047 1.00 0.00 C ATOM 1418 C ASP B 36 -8.315 1.732 -5.289 1.00 0.00 C ATOM 1419 O ASP B 36 -8.744 0.970 -6.154 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.491 4.114 -6.051 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.273 5.413 -5.991 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -9.309 6.035 -4.909 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -9.847 5.808 -7.027 1.00 0.00 O ATOM 0 H ASP B 36 -7.944 4.090 -3.543 1.00 0.00 H new ATOM 0 HA ASP B 36 -10.069 2.926 -5.186 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.438 4.318 -5.857 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.555 3.701 -7.057 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.266 1.426 -4.526 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.566 0.149 -4.687 1.00 0.00 C ATOM 1430 C ASN B 37 -7.366 -0.974 -4.043 1.00 0.00 C ATOM 1431 O ASN B 37 -7.446 -2.081 -4.574 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.164 0.193 -4.067 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.224 1.136 -4.787 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -3.437 1.888 -4.026 1.00 0.00 O flip ATOM 1435 ND2 ASN B 37 -4.179 1.164 -6.017 1.00 0.00 N flip ATOM 0 H ASN B 37 -6.885 2.034 -3.800 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.464 -0.036 -5.756 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.244 0.497 -3.023 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.738 -0.810 -4.075 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -4.802 0.569 -6.564 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.519 1.782 -6.489 1.00 0.00 H new ATOM 1442 N GLY B 38 -7.948 -0.647 -2.890 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.758 -1.574 -2.114 1.00 0.00 C ATOM 1444 C GLY B 38 -9.056 -2.910 -2.778 1.00 0.00 C ATOM 1445 O GLY B 38 -8.160 -3.728 -2.983 1.00 0.00 O ATOM 0 H GLY B 38 -7.867 0.278 -2.468 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.252 -1.765 -1.168 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.705 -1.089 -1.877 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.338 -3.155 -3.028 1.00 0.00 N ATOM 1450 CA VAL B 39 -10.785 -4.433 -3.577 1.00 0.00 C ATOM 1451 C VAL B 39 -10.692 -4.567 -5.099 1.00 0.00 C ATOM 1452 O VAL B 39 -10.107 -5.530 -5.593 1.00 0.00 O ATOM 1453 CB VAL B 39 -12.235 -4.720 -3.142 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -12.719 -6.050 -3.703 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -12.346 -4.701 -1.627 1.00 0.00 C ATOM 0 H VAL B 39 -11.088 -2.485 -2.859 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.087 -5.163 -3.168 1.00 0.00 H new ATOM 0 HB VAL B 39 -12.875 -3.935 -3.545 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -13.745 -6.229 -3.381 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.680 -6.021 -4.792 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -12.079 -6.853 -3.338 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -13.376 -4.905 -1.335 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -11.691 -5.463 -1.205 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -12.050 -3.721 -1.253 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.305 -3.659 -5.846 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.313 -3.768 -7.309 1.00 0.00 C ATOM 1467 C ASP B 40 -10.121 -3.095 -7.984 1.00 0.00 C ATOM 1468 O ASP B 40 -10.212 -2.705 -9.149 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.611 -3.180 -7.864 1.00 0.00 C ATOM 1470 CG ASP B 40 -13.840 -3.910 -7.360 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -13.956 -5.126 -7.621 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -14.686 -3.266 -6.705 1.00 0.00 O ATOM 0 H ASP B 40 -11.799 -2.847 -5.475 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.239 -4.832 -7.536 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.678 -2.128 -7.586 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -12.589 -3.221 -8.953 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.008 -2.968 -7.277 1.00 0.00 N ATOM 1478 CA GLY B 41 -7.840 -2.349 -7.878 1.00 0.00 C ATOM 1479 C GLY B 41 -7.285 -3.174 -9.027 1.00 0.00 C ATOM 1480 O GLY B 41 -7.384 -4.402 -9.018 1.00 0.00 O ATOM 0 H GLY B 41 -8.890 -3.277 -6.312 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.102 -1.355 -8.240 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.068 -2.219 -7.119 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.690 -2.506 -10.013 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.108 -3.199 -11.164 1.00 0.00 C ATOM 1486 C GLU B 42 -4.758 -3.804 -10.792 1.00 0.00 C ATOM 1487 O GLU B 42 -3.726 -3.138 -10.879 1.00 0.00 O ATOM 1488 CB GLU B 42 -5.939 -2.233 -12.339 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.243 -1.617 -12.819 1.00 0.00 C ATOM 1490 CD GLU B 42 -7.045 -0.670 -13.985 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -6.308 0.326 -13.823 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -7.625 -0.924 -15.061 1.00 0.00 O ATOM 0 H GLU B 42 -6.598 -1.491 -10.040 1.00 0.00 H new ATOM 0 HA GLU B 42 -6.785 -4.000 -11.461 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.257 -1.435 -12.046 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.471 -2.763 -13.169 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -7.929 -2.411 -13.113 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -7.712 -1.080 -11.995 1.00 0.00 H new ATOM 1499 N TRP B 43 -4.773 -5.059 -10.347 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.549 -5.734 -9.929 1.00 0.00 C ATOM 1501 C TRP B 43 -3.018 -6.696 -10.988 1.00 0.00 C ATOM 1502 O TRP B 43 -3.718 -7.615 -11.414 1.00 0.00 O ATOM 1503 CB TRP B 43 -3.793 -6.533 -8.648 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.298 -5.729 -7.492 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -4.985 -4.549 -7.530 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.155 -6.062 -6.111 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -5.287 -4.139 -6.254 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -4.782 -5.050 -5.367 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.555 -7.125 -5.436 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -4.829 -5.069 -3.978 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.600 -7.145 -4.058 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.232 -6.122 -3.341 1.00 0.00 C ATOM 0 H TRP B 43 -5.617 -5.626 -10.267 1.00 0.00 H new ATOM 0 HA TRP B 43 -2.810 -4.950 -9.767 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -4.510 -7.325 -8.862 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -2.861 -7.017 -8.356 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -5.252 -4.016 -8.431 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -5.803 -3.294 -6.008 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -3.065 -7.917 -5.982 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.318 -4.282 -3.423 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -3.140 -7.963 -3.523 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.249 -6.165 -2.262 1.00 0.00 H new ATOM 1523 N THR B 44 -1.760 -6.506 -11.370 1.00 0.00 N ATOM 1524 CA THR B 44 -1.111 -7.385 -12.334 1.00 0.00 C ATOM 1525 C THR B 44 -0.088 -8.251 -11.604 1.00 0.00 C ATOM 1526 O THR B 44 0.597 -7.773 -10.699 1.00 0.00 O ATOM 1527 CB THR B 44 -0.437 -6.576 -13.445 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.512 -5.675 -12.905 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.413 -5.770 -14.276 1.00 0.00 C ATOM 0 H THR B 44 -1.169 -5.749 -11.026 1.00 0.00 H new ATOM 0 HA THR B 44 -1.862 -8.022 -12.801 1.00 0.00 H new ATOM 0 HB THR B 44 0.041 -7.314 -14.089 1.00 0.00 H new ATOM 0 HG1 THR B 44 1.218 -6.178 -12.448 1.00 0.00 H new ATOM 0 HG21 THR B 44 -0.869 -5.221 -15.045 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.130 -6.442 -14.748 1.00 0.00 H new ATOM 0 HG23 THR B 44 -1.943 -5.067 -13.634 1.00 0.00 H new ATOM 1537 N TYR B 45 0.005 -9.524 -11.972 1.00 0.00 N ATOM 1538 CA TYR B 45 0.938 -10.435 -11.311 1.00 0.00 C ATOM 1539 C TYR B 45 2.059 -10.878 -12.244 1.00 0.00 C ATOM 1540 O TYR B 45 1.835 -11.140 -13.426 1.00 0.00 O ATOM 1541 CB TYR B 45 0.189 -11.659 -10.780 1.00 0.00 C ATOM 1542 CG TYR B 45 1.069 -12.634 -10.029 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.060 -12.182 -9.166 1.00 0.00 C ATOM 1544 CD2 TYR B 45 0.908 -14.005 -10.183 1.00 0.00 C ATOM 1545 CE1 TYR B 45 2.865 -13.070 -8.477 1.00 0.00 C ATOM 1546 CE2 TYR B 45 1.708 -14.899 -9.497 1.00 0.00 C ATOM 1547 CZ TYR B 45 2.685 -14.426 -8.646 1.00 0.00 C ATOM 1548 OH TYR B 45 3.485 -15.313 -7.963 1.00 0.00 O ATOM 0 H TYR B 45 -0.548 -9.948 -12.717 1.00 0.00 H new ATOM 0 HA TYR B 45 1.392 -9.894 -10.481 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.613 -11.325 -10.121 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -0.281 -12.177 -11.616 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.204 -11.120 -9.031 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.145 -14.379 -10.850 1.00 0.00 H new ATOM 0 HE1 TYR B 45 3.631 -12.703 -7.810 1.00 0.00 H new ATOM 0 HE2 TYR B 45 1.569 -15.962 -9.627 1.00 0.00 H new ATOM 0 HH TYR B 45 3.227 -16.230 -8.193 1.00 0.00 H new ATOM 1558 N ASP B 46 3.266 -10.976 -11.692 1.00 0.00 N ATOM 1559 CA ASP B 46 4.432 -11.406 -12.453 1.00 0.00 C ATOM 1560 C ASP B 46 5.078 -12.616 -11.786 1.00 0.00 C ATOM 1561 O ASP B 46 6.039 -12.479 -11.029 1.00 0.00 O ATOM 1562 CB ASP B 46 5.446 -10.265 -12.567 1.00 0.00 C ATOM 1563 CG ASP B 46 6.672 -10.654 -13.374 1.00 0.00 C ATOM 1564 OD1 ASP B 46 6.732 -11.807 -13.847 1.00 0.00 O ATOM 1565 OD2 ASP B 46 7.572 -9.802 -13.532 1.00 0.00 O ATOM 0 H ASP B 46 3.461 -10.761 -10.714 1.00 0.00 H new ATOM 0 HA ASP B 46 4.108 -11.686 -13.455 1.00 0.00 H new ATOM 0 HB2 ASP B 46 4.967 -9.403 -13.032 1.00 0.00 H new ATOM 0 HB3 ASP B 46 5.755 -9.957 -11.568 1.00 0.00 H new ATOM 1570 N ASP B 47 4.544 -13.801 -12.064 1.00 0.00 N ATOM 1571 CA ASP B 47 5.066 -15.037 -11.483 1.00 0.00 C ATOM 1572 C ASP B 47 6.582 -15.125 -11.633 1.00 0.00 C ATOM 1573 O ASP B 47 7.278 -15.616 -10.744 1.00 0.00 O ATOM 1574 CB ASP B 47 4.407 -16.251 -12.139 1.00 0.00 C ATOM 1575 CG ASP B 47 2.902 -16.265 -11.949 1.00 0.00 C ATOM 1576 OD1 ASP B 47 2.239 -15.309 -12.401 1.00 0.00 O ATOM 1577 OD2 ASP B 47 2.388 -17.232 -11.349 1.00 0.00 O ATOM 0 H ASP B 47 3.749 -13.933 -12.689 1.00 0.00 H new ATOM 0 HA ASP B 47 4.830 -15.030 -10.419 1.00 0.00 H new ATOM 0 HB2 ASP B 47 4.636 -16.254 -13.205 1.00 0.00 H new ATOM 0 HB3 ASP B 47 4.832 -17.163 -11.719 1.00 0.00 H new ATOM 1582 N ALA B 48 7.090 -14.650 -12.767 1.00 0.00 N ATOM 1583 CA ALA B 48 8.523 -14.680 -13.036 1.00 0.00 C ATOM 1584 C ALA B 48 9.318 -14.010 -11.918 1.00 0.00 C ATOM 1585 O ALA B 48 10.446 -14.405 -11.626 1.00 0.00 O ATOM 1586 CB ALA B 48 8.820 -14.011 -14.370 1.00 0.00 C ATOM 0 H ALA B 48 6.530 -14.240 -13.514 1.00 0.00 H new ATOM 0 HA ALA B 48 8.833 -15.724 -13.083 1.00 0.00 H new ATOM 0 HB1 ALA B 48 9.893 -14.039 -14.560 1.00 0.00 H new ATOM 0 HB2 ALA B 48 8.296 -14.539 -15.167 1.00 0.00 H new ATOM 0 HB3 ALA B 48 8.484 -12.974 -14.340 1.00 0.00 H new ATOM 1592 N THR B 49 8.727 -12.993 -11.298 1.00 0.00 N ATOM 1593 CA THR B 49 9.389 -12.270 -10.217 1.00 0.00 C ATOM 1594 C THR B 49 8.652 -12.442 -8.888 1.00 0.00 C ATOM 1595 O THR B 49 8.988 -11.792 -7.898 1.00 0.00 O ATOM 1596 CB THR B 49 9.492 -10.784 -10.562 1.00 0.00 C ATOM 1597 OG1 THR B 49 8.203 -10.224 -10.751 1.00 0.00 O ATOM 1598 CG2 THR B 49 10.299 -10.515 -11.814 1.00 0.00 C ATOM 0 H THR B 49 7.793 -12.651 -11.525 1.00 0.00 H new ATOM 0 HA THR B 49 10.389 -12.689 -10.105 1.00 0.00 H new ATOM 0 HB THR B 49 10.002 -10.324 -9.716 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.289 -9.273 -10.970 1.00 0.00 H new ATOM 0 HG21 THR B 49 10.333 -9.442 -12.002 1.00 0.00 H new ATOM 0 HG22 THR B 49 11.313 -10.892 -11.681 1.00 0.00 H new ATOM 0 HG23 THR B 49 9.833 -11.017 -12.662 1.00 0.00 H new ATOM 1606 N LYS B 50 7.649 -13.319 -8.866 1.00 0.00 N ATOM 1607 CA LYS B 50 6.882 -13.559 -7.646 1.00 0.00 C ATOM 1608 C LYS B 50 6.429 -12.241 -7.024 1.00 0.00 C ATOM 1609 O LYS B 50 6.352 -12.115 -5.802 1.00 0.00 O ATOM 1610 CB LYS B 50 7.736 -14.334 -6.638 1.00 0.00 C ATOM 1611 CG LYS B 50 8.068 -15.752 -7.073 1.00 0.00 C ATOM 1612 CD LYS B 50 6.864 -16.672 -6.954 1.00 0.00 C ATOM 1613 CE LYS B 50 6.401 -16.793 -5.511 1.00 0.00 C ATOM 1614 NZ LYS B 50 7.494 -17.260 -4.614 1.00 0.00 N ATOM 0 H LYS B 50 7.351 -13.870 -9.671 1.00 0.00 H new ATOM 0 HA LYS B 50 6.000 -14.145 -7.905 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.665 -13.789 -6.469 1.00 0.00 H new ATOM 0 HB3 LYS B 50 7.210 -14.371 -5.684 1.00 0.00 H new ATOM 0 HG2 LYS B 50 8.419 -15.743 -8.105 1.00 0.00 H new ATOM 0 HG3 LYS B 50 8.884 -16.139 -6.462 1.00 0.00 H new ATOM 0 HD2 LYS B 50 6.049 -16.289 -7.569 1.00 0.00 H new ATOM 0 HD3 LYS B 50 7.118 -17.659 -7.340 1.00 0.00 H new ATOM 0 HE2 LYS B 50 6.036 -15.826 -5.165 1.00 0.00 H new ATOM 0 HE3 LYS B 50 5.564 -17.489 -5.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 7.094 -17.540 -3.696 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 7.973 -18.076 -5.046 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 8.180 -16.491 -4.473 1.00 0.00 H new ATOM 1628 N THR B 51 6.153 -11.253 -7.872 1.00 0.00 N ATOM 1629 CA THR B 51 5.735 -9.940 -7.394 1.00 0.00 C ATOM 1630 C THR B 51 4.410 -9.506 -8.014 1.00 0.00 C ATOM 1631 O THR B 51 4.058 -9.919 -9.118 1.00 0.00 O ATOM 1632 CB THR B 51 6.816 -8.903 -7.705 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.050 -9.275 -7.118 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.477 -7.512 -7.212 1.00 0.00 C ATOM 0 H THR B 51 6.211 -11.337 -8.887 1.00 0.00 H new ATOM 0 HA THR B 51 5.591 -10.011 -6.316 1.00 0.00 H new ATOM 0 HB THR B 51 6.884 -8.878 -8.793 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.365 -10.111 -7.520 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.287 -6.828 -7.466 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.555 -7.173 -7.684 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.345 -7.531 -6.130 1.00 0.00 H new ATOM 1642 N PHE B 52 3.689 -8.654 -7.288 1.00 0.00 N ATOM 1643 CA PHE B 52 2.406 -8.133 -7.746 1.00 0.00 C ATOM 1644 C PHE B 52 2.456 -6.609 -7.808 1.00 0.00 C ATOM 1645 O PHE B 52 3.082 -5.973 -6.964 1.00 0.00 O ATOM 1646 CB PHE B 52 1.285 -8.566 -6.796 1.00 0.00 C ATOM 1647 CG PHE B 52 1.219 -10.047 -6.556 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.266 -10.710 -5.937 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.103 -10.775 -6.939 1.00 0.00 C ATOM 1650 CE1 PHE B 52 2.204 -12.072 -5.707 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.034 -12.137 -6.710 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.087 -12.787 -6.094 1.00 0.00 C ATOM 0 H PHE B 52 3.976 -8.308 -6.372 1.00 0.00 H new ATOM 0 HA PHE B 52 2.205 -8.532 -8.740 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.419 -8.060 -5.840 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.330 -8.232 -7.203 1.00 0.00 H new ATOM 0 HD1 PHE B 52 3.141 -10.156 -5.630 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.722 -10.273 -7.422 1.00 0.00 H new ATOM 0 HE1 PHE B 52 3.028 -12.577 -5.225 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.842 -12.692 -7.012 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.037 -13.851 -5.916 1.00 0.00 H new ATOM 1662 N THR B 53 1.792 -6.023 -8.797 1.00 0.00 N ATOM 1663 CA THR B 53 1.770 -4.571 -8.935 1.00 0.00 C ATOM 1664 C THR B 53 0.346 -4.027 -8.918 1.00 0.00 C ATOM 1665 O THR B 53 -0.516 -4.477 -9.673 1.00 0.00 O ATOM 1666 CB THR B 53 2.488 -4.129 -10.210 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.198 -5.004 -11.284 1.00 0.00 O ATOM 1668 CG2 THR B 53 3.991 -4.050 -10.056 1.00 0.00 C ATOM 0 H THR B 53 1.265 -6.526 -9.511 1.00 0.00 H new ATOM 0 HA THR B 53 2.300 -4.159 -8.076 1.00 0.00 H new ATOM 0 HB THR B 53 2.114 -3.126 -10.418 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.325 -4.775 -11.666 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.437 -3.731 -10.998 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.239 -3.332 -9.275 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.381 -5.031 -9.784 1.00 0.00 H new ATOM 1676 N VAL B 54 0.120 -3.040 -8.059 1.00 0.00 N ATOM 1677 CA VAL B 54 -1.184 -2.403 -7.941 1.00 0.00 C ATOM 1678 C VAL B 54 -1.158 -1.044 -8.631 1.00 0.00 C ATOM 1679 O VAL B 54 -0.584 -0.084 -8.112 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.600 -2.232 -6.464 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -2.978 -1.591 -6.359 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.575 -3.573 -5.748 1.00 0.00 C ATOM 0 H VAL B 54 0.829 -2.662 -7.430 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.918 -3.048 -8.424 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.883 -1.569 -5.981 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.249 -1.481 -5.309 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -2.960 -0.610 -6.834 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.712 -2.223 -6.859 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.871 -3.436 -4.708 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.269 -4.258 -6.235 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.568 -3.988 -5.787 1.00 0.00 H new ATOM 1692 N THR B 55 -1.759 -0.972 -9.816 1.00 0.00 N ATOM 1693 CA THR B 55 -1.774 0.268 -10.581 1.00 0.00 C ATOM 1694 C THR B 55 -3.050 1.068 -10.345 1.00 0.00 C ATOM 1695 O THR B 55 -4.139 0.657 -10.746 1.00 0.00 O ATOM 1696 CB THR B 55 -1.612 -0.021 -12.072 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.484 -0.845 -12.302 1.00 0.00 O ATOM 1698 CG2 THR B 55 -1.433 1.235 -12.896 1.00 0.00 C ATOM 0 H THR B 55 -2.239 -1.753 -10.264 1.00 0.00 H new ATOM 0 HA THR B 55 -0.933 0.869 -10.235 1.00 0.00 H new ATOM 0 HB THR B 55 -2.532 -0.519 -12.378 1.00 0.00 H new ATOM 0 HG1 THR B 55 -0.398 -1.021 -13.262 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.323 0.968 -13.947 1.00 0.00 H new ATOM 0 HG22 THR B 55 -2.305 1.877 -12.774 1.00 0.00 H new ATOM 0 HG23 THR B 55 -0.542 1.766 -12.561 1.00 0.00 H new ATOM 1706 N GLU B 56 -2.901 2.220 -9.696 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.029 3.097 -9.405 1.00 0.00 C ATOM 1708 C GLU B 56 -4.855 3.366 -10.661 1.00 0.00 C ATOM 1709 O GLU B 56 -6.083 3.140 -10.621 1.00 0.00 O ATOM 1710 CB GLU B 56 -3.522 4.418 -8.817 1.00 0.00 C ATOM 1711 CG GLU B 56 -4.618 5.441 -8.570 1.00 0.00 C ATOM 1712 CD GLU B 56 -5.690 4.932 -7.632 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -5.357 4.592 -6.476 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -6.864 4.872 -8.052 1.00 0.00 O ATOM 1715 OXT GLU B 56 -4.266 3.804 -11.673 1.00 0.00 O ATOM 0 H GLU B 56 -2.003 2.569 -9.360 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.671 2.599 -8.678 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -3.010 4.213 -7.877 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -2.784 4.847 -9.495 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -4.177 6.347 -8.154 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -5.074 5.716 -9.521 1.00 0.00 H new