USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 833 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 LYS NZ :NH3+ -135:sc= -1.58! (180deg=-5.4!) USER MOD Set 1.2: B 51 THR OG1 : rot 64:sc= 1.88 USER MOD Set 2.1: B 44 THR OG1 : rot 55:sc= 1.55! USER MOD Set 2.2: B 53 THR OG1 : rot 107:sc= 1.9 USER MOD Set 3.1: A 50 LYS NZ :NH3+ -177:sc= -1.51 (180deg=-0.636) USER MOD Set 3.2: B 1 MET CE :methyl 156:sc= -4.32! (180deg=-2.79!) USER MOD Set 3.3: B 3 TYR OH : rot 180:sc= -1.61 USER MOD Set 4.1: A 51 THR OG1 : rot 64:sc= 1.9 USER MOD Set 4.2: B 4 LYS NZ :NH3+ -134:sc= -1.57! (180deg=-5.48!) USER MOD Set 5.1: A 44 THR OG1 : rot 50:sc= 1.63 USER MOD Set 5.2: A 53 THR OG1 : rot 107:sc= 1.84 USER MOD Single : A 2 GLN : amide:sc= -7.43! C(o=-7.4!,f=-12!) USER MOD Single : A 3 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 8 ASN : amide:sc= -0.481 K(o=-0.48,f=-2.9!) USER MOD Single : A 10 LYS NZ :NH3+ -96:sc= -2.54! (180deg=-5.44!) USER MOD Single : A 11 THR OG1 : rot -140:sc= -3.81! USER MOD Single : A 13 LYS NZ :NH3+ 164:sc= -0.0322 (180deg=-0.341) USER MOD Single : A 16 THR OG1 : rot 150:sc= -5.28! USER MOD Single : A 17 THR OG1 : rot 31:sc= 0.342 USER MOD Single : A 18 THR OG1 : rot 34:sc= -0.272 USER MOD Single : A 25 THR OG1 : rot -132:sc= 0.32 USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= -0.0309 (180deg=-0.265) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -2.79! F(o=-3.9,f=-2.8!) USER MOD Single : A 35 ASN : amide:sc= -3.65! C(o=-3.7!,f=-4.2!) USER MOD Single : A 37 ASN : amide:sc= -8.19! C(o=-8.2!,f=-10!) USER MOD Single : A 45 TYR OH : rot 69:sc= 0.0255 USER MOD Single : A 49 THR OG1 : rot -100:sc= 0.066 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ 164:sc= 0.388 (180deg=0.283) USER MOD Single : B 2 GLN : amide:sc= -7.52! C(o=-7.5!,f=-12!) USER MOD Single : B 8 ASN : amide:sc= -0.453 K(o=-0.45,f=-2.8!) USER MOD Single : B 10 LYS NZ :NH3+ -97:sc= -2.52! (180deg=-5.53!) USER MOD Single : B 11 THR OG1 : rot -140:sc= -3.78! USER MOD Single : B 13 LYS NZ :NH3+ 164:sc= -0.0302 (180deg=-0.335) USER MOD Single : B 16 THR OG1 : rot 150:sc= -5.29! USER MOD Single : B 17 THR OG1 : rot 32:sc= 0.348 USER MOD Single : B 18 THR OG1 : rot 34:sc= -0.265 USER MOD Single : B 25 THR OG1 : rot -132:sc= 0.373 USER MOD Single : B 28 LYS NZ :NH3+ -166:sc= -0.053 (180deg=-0.306) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 GLN :FLIP amide:sc= -2.73! F(o=-3.9,f=-2.7!) USER MOD Single : B 35 ASN : amide:sc= -3.62! C(o=-3.6!,f=-4.3!) USER MOD Single : B 37 ASN : amide:sc= -8.26! C(o=-8.3!,f=-10!) USER MOD Single : B 45 TYR OH : rot 69:sc= 0.0244 USER MOD Single : B 49 THR OG1 : rot -99:sc= 0.0654 USER MOD Single : B 50 LYS NZ :NH3+ -168:sc= -0.073 (180deg=-0.338) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 7.519 -15.732 0.994 1.00 0.00 N ATOM 21 CA GLN A 2 7.358 -14.283 1.022 1.00 0.00 C ATOM 22 C GLN A 2 7.255 -13.726 -0.392 1.00 0.00 C ATOM 23 O GLN A 2 7.899 -14.226 -1.315 1.00 0.00 O ATOM 24 CB GLN A 2 8.524 -13.633 1.780 1.00 0.00 C ATOM 25 CG GLN A 2 8.453 -12.111 1.848 1.00 0.00 C ATOM 26 CD GLN A 2 8.845 -11.405 0.555 1.00 0.00 C ATOM 27 OE1 GLN A 2 8.618 -10.203 0.409 1.00 0.00 O ATOM 28 NE2 GLN A 2 9.462 -12.123 -0.382 1.00 0.00 N ATOM 0 HA GLN A 2 6.432 -14.047 1.546 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.550 -14.030 2.795 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.460 -13.921 1.301 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.437 -11.818 2.114 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.105 -11.764 2.649 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.636 -13.117 -0.231 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.761 -11.679 -1.250 1.00 0.00 H new ATOM 37 N TYR A 3 6.438 -12.690 -0.559 1.00 0.00 N ATOM 38 CA TYR A 3 6.250 -12.070 -1.864 1.00 0.00 C ATOM 39 C TYR A 3 6.428 -10.558 -1.776 1.00 0.00 C ATOM 40 O TYR A 3 6.113 -9.946 -0.755 1.00 0.00 O ATOM 41 CB TYR A 3 4.861 -12.403 -2.412 1.00 0.00 C ATOM 42 CG TYR A 3 4.616 -13.886 -2.593 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.651 -14.755 -1.509 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.343 -14.414 -3.850 1.00 0.00 C ATOM 45 CE1 TYR A 3 4.425 -16.109 -1.673 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.115 -15.767 -4.019 1.00 0.00 C ATOM 47 CZ TYR A 3 4.159 -16.609 -2.929 1.00 0.00 C ATOM 48 OH TYR A 3 3.929 -17.957 -3.098 1.00 0.00 O ATOM 0 H TYR A 3 5.897 -12.264 0.193 1.00 0.00 H new ATOM 0 HA TYR A 3 7.005 -12.467 -2.543 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.107 -11.999 -1.736 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.729 -11.903 -3.371 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.858 -14.366 -0.523 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.309 -13.757 -4.707 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.457 -16.772 -0.821 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.903 -16.163 -5.001 1.00 0.00 H new ATOM 0 HH TYR A 3 3.756 -18.143 -4.045 1.00 0.00 H new ATOM 58 N LYS A 4 6.928 -9.963 -2.853 1.00 0.00 N ATOM 59 CA LYS A 4 7.141 -8.520 -2.893 1.00 0.00 C ATOM 60 C LYS A 4 6.058 -7.841 -3.722 1.00 0.00 C ATOM 61 O LYS A 4 6.026 -7.973 -4.944 1.00 0.00 O ATOM 62 CB LYS A 4 8.521 -8.201 -3.474 1.00 0.00 C ATOM 63 CG LYS A 4 8.827 -6.712 -3.525 1.00 0.00 C ATOM 64 CD LYS A 4 10.248 -6.433 -4.001 1.00 0.00 C ATOM 65 CE LYS A 4 10.462 -6.853 -5.450 1.00 0.00 C ATOM 66 NZ LYS A 4 10.496 -8.335 -5.612 1.00 0.00 N ATOM 0 H LYS A 4 7.193 -10.454 -3.707 1.00 0.00 H new ATOM 0 HA LYS A 4 7.090 -8.139 -1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.283 -8.700 -2.876 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.587 -8.612 -4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.119 -6.220 -4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.686 -6.279 -2.535 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.462 -5.369 -3.897 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.954 -6.964 -3.362 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.663 -6.441 -6.067 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.398 -6.429 -5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.289 -8.598 -6.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.620 -8.783 -4.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.603 -8.658 -6.036 1.00 0.00 H new ATOM 80 N VAL A 5 5.171 -7.118 -3.052 1.00 0.00 N ATOM 81 CA VAL A 5 4.086 -6.427 -3.733 1.00 0.00 C ATOM 82 C VAL A 5 4.458 -4.978 -4.035 1.00 0.00 C ATOM 83 O VAL A 5 4.923 -4.247 -3.163 1.00 0.00 O ATOM 84 CB VAL A 5 2.789 -6.458 -2.901 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.653 -5.766 -3.640 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.413 -7.891 -2.555 1.00 0.00 C ATOM 0 H VAL A 5 5.182 -6.995 -2.039 1.00 0.00 H new ATOM 0 HA VAL A 5 3.915 -6.954 -4.672 1.00 0.00 H new ATOM 0 HB VAL A 5 2.966 -5.915 -1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.749 -5.801 -3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.922 -4.727 -3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.473 -6.273 -4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.495 -7.895 -1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.259 -8.458 -3.473 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.216 -8.348 -1.977 1.00 0.00 H new ATOM 96 N ILE A 6 4.245 -4.574 -5.280 1.00 0.00 N ATOM 97 CA ILE A 6 4.546 -3.217 -5.712 1.00 0.00 C ATOM 98 C ILE A 6 3.262 -2.408 -5.879 1.00 0.00 C ATOM 99 O ILE A 6 2.378 -2.773 -6.650 1.00 0.00 O ATOM 100 CB ILE A 6 5.336 -3.215 -7.040 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.735 -3.789 -6.817 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.421 -1.812 -7.625 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.552 -3.905 -8.085 1.00 0.00 C ATOM 0 H ILE A 6 3.862 -5.172 -6.013 1.00 0.00 H new ATOM 0 HA ILE A 6 5.162 -2.756 -4.940 1.00 0.00 H new ATOM 0 HB ILE A 6 4.806 -3.843 -7.756 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.269 -3.157 -6.107 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.646 -4.775 -6.361 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.982 -1.841 -8.559 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.416 -1.436 -7.817 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.926 -1.153 -6.918 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.532 -4.320 -7.850 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.040 -4.561 -8.789 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.673 -2.918 -8.531 1.00 0.00 H new ATOM 115 N LEU A 7 3.172 -1.309 -5.143 1.00 0.00 N ATOM 116 CA LEU A 7 2.001 -0.445 -5.202 1.00 0.00 C ATOM 117 C LEU A 7 2.288 0.757 -6.096 1.00 0.00 C ATOM 118 O LEU A 7 2.827 1.767 -5.641 1.00 0.00 O ATOM 119 CB LEU A 7 1.625 0.004 -3.788 1.00 0.00 C ATOM 120 CG LEU A 7 1.754 -1.081 -2.720 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.236 -0.579 -1.381 1.00 0.00 C ATOM 122 CD2 LEU A 7 1.017 -2.342 -3.152 1.00 0.00 C ATOM 0 H LEU A 7 3.896 -0.994 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 7 1.161 -0.994 -5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.257 0.847 -3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.597 0.366 -3.797 1.00 0.00 H new ATOM 0 HG LEU A 7 2.809 -1.327 -2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.336 -1.366 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.814 0.292 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.186 -0.302 -1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.119 -3.105 -2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.039 -2.114 -3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.443 -2.711 -4.085 1.00 0.00 H new ATOM 134 N ASN A 8 1.961 0.625 -7.379 1.00 0.00 N ATOM 135 CA ASN A 8 2.218 1.681 -8.354 1.00 0.00 C ATOM 136 C ASN A 8 0.968 2.507 -8.656 1.00 0.00 C ATOM 137 O ASN A 8 0.040 2.036 -9.314 1.00 0.00 O ATOM 138 CB ASN A 8 2.741 1.054 -9.647 1.00 0.00 C ATOM 139 CG ASN A 8 3.250 2.080 -10.636 1.00 0.00 C ATOM 140 OD1 ASN A 8 2.548 3.029 -10.985 1.00 0.00 O ATOM 141 ND2 ASN A 8 4.475 1.881 -11.109 1.00 0.00 N ATOM 0 H ASN A 8 1.516 -0.206 -7.769 1.00 0.00 H new ATOM 0 HA ASN A 8 2.960 2.356 -7.927 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.545 0.358 -9.408 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.944 0.473 -10.111 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.870 2.529 -11.790 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.021 1.080 -10.791 1.00 0.00 H new ATOM 148 N GLY A 9 0.946 3.744 -8.175 1.00 0.00 N ATOM 149 CA GLY A 9 -0.196 4.603 -8.419 1.00 0.00 C ATOM 150 C GLY A 9 0.157 5.812 -9.259 1.00 0.00 C ATOM 151 O GLY A 9 1.252 5.890 -9.817 1.00 0.00 O ATOM 0 H GLY A 9 1.694 4.165 -7.624 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.976 4.031 -8.921 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.607 4.935 -7.466 1.00 0.00 H new ATOM 155 N LYS A 10 -0.771 6.755 -9.350 1.00 0.00 N ATOM 156 CA LYS A 10 -0.552 7.964 -10.132 1.00 0.00 C ATOM 157 C LYS A 10 0.390 8.925 -9.410 1.00 0.00 C ATOM 158 O LYS A 10 1.402 9.350 -9.968 1.00 0.00 O ATOM 159 CB LYS A 10 -1.884 8.660 -10.419 1.00 0.00 C ATOM 160 CG LYS A 10 -2.856 7.808 -11.218 1.00 0.00 C ATOM 161 CD LYS A 10 -4.106 8.583 -11.617 1.00 0.00 C ATOM 162 CE LYS A 10 -4.933 9.008 -10.410 1.00 0.00 C ATOM 163 NZ LYS A 10 -4.280 10.096 -9.629 1.00 0.00 N ATOM 0 H LYS A 10 -1.681 6.706 -8.893 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.089 7.673 -11.075 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.350 8.938 -9.474 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.691 9.584 -10.964 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.359 7.437 -12.114 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.143 6.937 -10.628 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.817 9.467 -12.186 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.718 7.967 -12.275 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.914 9.344 -10.745 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.095 8.146 -9.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.751 9.683 -8.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.627 10.621 -10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.006 10.744 -9.262 1.00 0.00 H new ATOM 177 N THR A 11 0.045 9.274 -8.175 1.00 0.00 N ATOM 178 CA THR A 11 0.840 10.192 -7.382 1.00 0.00 C ATOM 179 C THR A 11 1.501 9.479 -6.210 1.00 0.00 C ATOM 180 O THR A 11 2.045 10.119 -5.311 1.00 0.00 O ATOM 181 CB THR A 11 -0.058 11.307 -6.856 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.287 10.774 -6.394 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.373 12.365 -7.888 1.00 0.00 C ATOM 0 H THR A 11 -0.790 8.928 -7.702 1.00 0.00 H new ATOM 0 HA THR A 11 1.625 10.605 -8.016 1.00 0.00 H new ATOM 0 HB THR A 11 0.503 11.776 -6.048 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.020 11.370 -6.653 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.015 13.126 -7.445 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.553 12.827 -8.230 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.884 11.907 -8.735 1.00 0.00 H new ATOM 191 N LEU A 12 1.441 8.153 -6.216 1.00 0.00 N ATOM 192 CA LEU A 12 2.026 7.374 -5.142 1.00 0.00 C ATOM 193 C LEU A 12 2.741 6.139 -5.676 1.00 0.00 C ATOM 194 O LEU A 12 2.252 5.462 -6.579 1.00 0.00 O ATOM 195 CB LEU A 12 0.941 6.974 -4.143 1.00 0.00 C ATOM 196 CG LEU A 12 1.421 6.123 -2.976 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.601 6.797 -2.301 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.292 5.886 -1.982 1.00 0.00 C ATOM 0 H LEU A 12 0.995 7.601 -6.949 1.00 0.00 H new ATOM 0 HA LEU A 12 2.769 7.991 -4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.481 7.880 -3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.162 6.428 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 12 1.741 5.152 -3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.941 6.184 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.412 6.915 -3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.298 7.777 -1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.657 5.276 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.061 6.843 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.529 5.370 -2.480 1.00 0.00 H new ATOM 210 N LYS A 13 3.902 5.853 -5.098 1.00 0.00 N ATOM 211 CA LYS A 13 4.699 4.701 -5.495 1.00 0.00 C ATOM 212 C LYS A 13 5.396 4.100 -4.281 1.00 0.00 C ATOM 213 O LYS A 13 5.806 4.823 -3.374 1.00 0.00 O ATOM 214 CB LYS A 13 5.739 5.096 -6.547 1.00 0.00 C ATOM 215 CG LYS A 13 5.157 5.845 -7.735 1.00 0.00 C ATOM 216 CD LYS A 13 5.049 7.340 -7.472 1.00 0.00 C ATOM 217 CE LYS A 13 6.420 7.983 -7.314 1.00 0.00 C ATOM 218 NZ LYS A 13 7.269 7.786 -8.522 1.00 0.00 N ATOM 0 H LYS A 13 4.314 6.408 -4.348 1.00 0.00 H new ATOM 0 HA LYS A 13 4.030 3.958 -5.929 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.501 5.717 -6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.239 4.196 -6.906 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.783 5.676 -8.611 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.169 5.446 -7.966 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.516 7.817 -8.294 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.461 7.510 -6.570 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.301 9.050 -7.124 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.922 7.559 -6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.070 8.449 -8.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.628 6.810 -8.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.703 7.961 -9.377 1.00 0.00 H new ATOM 232 N GLY A 14 5.530 2.777 -4.263 1.00 0.00 N ATOM 233 CA GLY A 14 6.181 2.127 -3.144 1.00 0.00 C ATOM 234 C GLY A 14 6.322 0.631 -3.324 1.00 0.00 C ATOM 235 O GLY A 14 6.025 0.090 -4.391 1.00 0.00 O ATOM 0 H GLY A 14 5.202 2.150 -4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.169 2.564 -3.003 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.612 2.325 -2.236 1.00 0.00 H new ATOM 239 N GLU A 15 6.776 -0.038 -2.270 1.00 0.00 N ATOM 240 CA GLU A 15 6.960 -1.482 -2.295 1.00 0.00 C ATOM 241 C GLU A 15 6.596 -2.089 -0.945 1.00 0.00 C ATOM 242 O GLU A 15 6.946 -1.551 0.105 1.00 0.00 O ATOM 243 CB GLU A 15 8.404 -1.832 -2.656 1.00 0.00 C ATOM 244 CG GLU A 15 8.829 -1.317 -4.023 1.00 0.00 C ATOM 245 CD GLU A 15 10.262 -1.681 -4.362 1.00 0.00 C ATOM 246 OE1 GLU A 15 11.173 -1.268 -3.614 1.00 0.00 O ATOM 247 OE2 GLU A 15 10.473 -2.378 -5.377 1.00 0.00 O ATOM 0 H GLU A 15 7.024 0.401 -1.383 1.00 0.00 H new ATOM 0 HA GLU A 15 6.299 -1.898 -3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.070 -1.420 -1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.524 -2.915 -2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.164 -1.725 -4.784 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.717 -0.233 -4.050 1.00 0.00 H new ATOM 254 N THR A 16 5.888 -3.207 -0.984 1.00 0.00 N ATOM 255 CA THR A 16 5.464 -3.892 0.228 1.00 0.00 C ATOM 256 C THR A 16 5.707 -5.397 0.123 1.00 0.00 C ATOM 257 O THR A 16 6.002 -5.910 -0.956 1.00 0.00 O ATOM 258 CB THR A 16 3.991 -3.593 0.513 1.00 0.00 C ATOM 259 OG1 THR A 16 3.445 -4.565 1.370 1.00 0.00 O ATOM 260 CG2 THR A 16 3.127 -3.540 -0.729 1.00 0.00 C ATOM 0 H THR A 16 5.593 -3.662 -1.848 1.00 0.00 H new ATOM 0 HA THR A 16 6.061 -3.521 1.061 1.00 0.00 H new ATOM 0 HB THR A 16 3.987 -2.605 0.974 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.735 -4.162 1.912 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.097 -3.324 -0.447 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.493 -2.757 -1.394 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.168 -4.501 -1.242 1.00 0.00 H new ATOM 268 N THR A 17 5.606 -6.099 1.254 1.00 0.00 N ATOM 269 CA THR A 17 5.843 -7.542 1.272 1.00 0.00 C ATOM 270 C THR A 17 4.912 -8.286 2.232 1.00 0.00 C ATOM 271 O THR A 17 4.930 -8.054 3.442 1.00 0.00 O ATOM 272 CB THR A 17 7.294 -7.825 1.650 1.00 0.00 C ATOM 273 OG1 THR A 17 7.616 -7.220 2.890 1.00 0.00 O ATOM 274 CG2 THR A 17 8.291 -7.331 0.624 1.00 0.00 C ATOM 0 H THR A 17 5.364 -5.696 2.159 1.00 0.00 H new ATOM 0 HA THR A 17 5.633 -7.909 0.267 1.00 0.00 H new ATOM 0 HB THR A 17 7.369 -8.911 1.708 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.815 -7.184 3.454 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.302 -7.565 0.957 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.101 -7.819 -0.332 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.188 -6.252 0.507 1.00 0.00 H new ATOM 282 N THR A 18 4.120 -9.201 1.676 1.00 0.00 N ATOM 283 CA THR A 18 3.195 -10.018 2.459 1.00 0.00 C ATOM 284 C THR A 18 3.717 -11.454 2.524 1.00 0.00 C ATOM 285 O THR A 18 4.303 -11.947 1.561 1.00 0.00 O ATOM 286 CB THR A 18 1.803 -10.005 1.821 1.00 0.00 C ATOM 287 OG1 THR A 18 0.871 -10.677 2.650 1.00 0.00 O ATOM 288 CG2 THR A 18 1.761 -10.664 0.457 1.00 0.00 C ATOM 0 H THR A 18 4.101 -9.396 0.675 1.00 0.00 H new ATOM 0 HA THR A 18 3.123 -9.607 3.466 1.00 0.00 H new ATOM 0 HB THR A 18 1.547 -8.952 1.704 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.103 -10.528 3.590 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.746 -10.620 0.063 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.437 -10.142 -0.220 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.070 -11.705 0.546 1.00 0.00 H new ATOM 296 N GLU A 19 3.501 -12.121 3.647 1.00 0.00 N ATOM 297 CA GLU A 19 3.952 -13.500 3.805 1.00 0.00 C ATOM 298 C GLU A 19 2.767 -14.456 3.763 1.00 0.00 C ATOM 299 O GLU A 19 1.908 -14.426 4.644 1.00 0.00 O ATOM 300 CB GLU A 19 4.723 -13.664 5.117 1.00 0.00 C ATOM 301 CG GLU A 19 5.205 -15.083 5.368 1.00 0.00 C ATOM 302 CD GLU A 19 5.969 -15.218 6.672 1.00 0.00 C ATOM 303 OE1 GLU A 19 7.007 -14.540 6.823 1.00 0.00 O ATOM 304 OE2 GLU A 19 5.529 -16.000 7.539 1.00 0.00 O ATOM 0 H GLU A 19 3.020 -11.735 4.459 1.00 0.00 H new ATOM 0 HA GLU A 19 4.620 -13.741 2.978 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.582 -12.994 5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.085 -13.355 5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.348 -15.757 5.382 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.844 -15.397 4.543 1.00 0.00 H new ATOM 311 N ALA A 20 2.714 -15.294 2.732 1.00 0.00 N ATOM 312 CA ALA A 20 1.617 -16.241 2.585 1.00 0.00 C ATOM 313 C ALA A 20 2.079 -17.562 1.974 1.00 0.00 C ATOM 314 O ALA A 20 3.066 -17.616 1.240 1.00 0.00 O ATOM 315 CB ALA A 20 0.513 -15.625 1.736 1.00 0.00 C ATOM 0 H ALA A 20 3.414 -15.336 1.991 1.00 0.00 H new ATOM 0 HA ALA A 20 1.233 -16.461 3.581 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.305 -16.338 1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.145 -14.720 2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.908 -15.376 0.751 1.00 0.00 H new ATOM 321 N VAL A 21 1.358 -18.626 2.310 1.00 0.00 N ATOM 322 CA VAL A 21 1.676 -19.969 1.832 1.00 0.00 C ATOM 323 C VAL A 21 1.852 -20.009 0.315 1.00 0.00 C ATOM 324 O VAL A 21 2.559 -20.869 -0.211 1.00 0.00 O ATOM 325 CB VAL A 21 0.573 -20.968 2.226 1.00 0.00 C ATOM 326 CG1 VAL A 21 0.984 -22.392 1.885 1.00 0.00 C ATOM 327 CG2 VAL A 21 0.236 -20.834 3.703 1.00 0.00 C ATOM 0 H VAL A 21 0.540 -18.584 2.918 1.00 0.00 H new ATOM 0 HA VAL A 21 2.618 -20.250 2.303 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.323 -20.735 1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.188 -23.079 2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.163 -22.472 0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.896 -22.647 2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.545 -21.548 3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.126 -21.036 4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.114 -19.822 3.906 1.00 0.00 H new ATOM 337 N ASP A 22 1.217 -19.077 -0.386 1.00 0.00 N ATOM 338 CA ASP A 22 1.324 -19.023 -1.842 1.00 0.00 C ATOM 339 C ASP A 22 0.987 -17.637 -2.375 1.00 0.00 C ATOM 340 O ASP A 22 0.552 -16.760 -1.629 1.00 0.00 O ATOM 341 CB ASP A 22 0.417 -20.073 -2.491 1.00 0.00 C ATOM 342 CG ASP A 22 -1.036 -19.928 -2.084 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.339 -20.127 -0.888 1.00 0.00 O ATOM 344 OD2 ASP A 22 -1.869 -19.614 -2.959 1.00 0.00 O ATOM 0 H ASP A 22 0.627 -18.353 0.024 1.00 0.00 H new ATOM 0 HA ASP A 22 2.359 -19.242 -2.102 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.495 -19.994 -3.575 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.768 -21.068 -2.218 1.00 0.00 H new ATOM 349 N ALA A 23 1.196 -17.447 -3.675 1.00 0.00 N ATOM 350 CA ALA A 23 0.921 -16.168 -4.315 1.00 0.00 C ATOM 351 C ALA A 23 -0.536 -15.770 -4.140 1.00 0.00 C ATOM 352 O ALA A 23 -0.843 -14.611 -3.870 1.00 0.00 O ATOM 353 CB ALA A 23 1.286 -16.226 -5.792 1.00 0.00 C ATOM 0 H ALA A 23 1.555 -18.164 -4.305 1.00 0.00 H new ATOM 0 HA ALA A 23 1.536 -15.408 -3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.075 -15.263 -6.257 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.347 -16.455 -5.896 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.698 -17.002 -6.282 1.00 0.00 H new ATOM 359 N ALA A 24 -1.433 -16.735 -4.289 1.00 0.00 N ATOM 360 CA ALA A 24 -2.856 -16.472 -4.134 1.00 0.00 C ATOM 361 C ALA A 24 -3.158 -16.041 -2.709 1.00 0.00 C ATOM 362 O ALA A 24 -3.735 -14.977 -2.486 1.00 0.00 O ATOM 363 CB ALA A 24 -3.676 -17.696 -4.516 1.00 0.00 C ATOM 0 H ALA A 24 -1.202 -17.702 -4.516 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.134 -15.660 -4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.737 -17.477 -4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.478 -17.957 -5.556 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.401 -18.533 -3.874 1.00 0.00 H new ATOM 369 N THR A 25 -2.739 -16.852 -1.738 1.00 0.00 N ATOM 370 CA THR A 25 -2.950 -16.508 -0.345 1.00 0.00 C ATOM 371 C THR A 25 -2.350 -15.136 -0.077 1.00 0.00 C ATOM 372 O THR A 25 -2.969 -14.289 0.566 1.00 0.00 O ATOM 373 CB THR A 25 -2.346 -17.568 0.574 1.00 0.00 C ATOM 374 OG1 THR A 25 -1.054 -17.946 0.133 1.00 0.00 O ATOM 375 CG2 THR A 25 -3.194 -18.821 0.676 1.00 0.00 C ATOM 0 H THR A 25 -2.259 -17.738 -1.893 1.00 0.00 H new ATOM 0 HA THR A 25 -4.019 -16.475 -0.136 1.00 0.00 H new ATOM 0 HB THR A 25 -2.296 -17.103 1.559 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.988 -18.924 0.113 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.710 -19.534 1.343 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.177 -18.564 1.071 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.305 -19.267 -0.313 1.00 0.00 H new ATOM 383 N ALA A 26 -1.152 -14.911 -0.614 1.00 0.00 N ATOM 384 CA ALA A 26 -0.490 -13.625 -0.467 1.00 0.00 C ATOM 385 C ALA A 26 -1.352 -12.541 -1.100 1.00 0.00 C ATOM 386 O ALA A 26 -1.668 -11.536 -0.465 1.00 0.00 O ATOM 387 CB ALA A 26 0.891 -13.657 -1.106 1.00 0.00 C ATOM 0 H ALA A 26 -0.626 -15.601 -1.151 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.361 -13.406 0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.370 -12.685 -0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.498 -14.423 -0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.796 -13.885 -2.168 1.00 0.00 H new ATOM 393 N GLU A 27 -1.746 -12.765 -2.356 1.00 0.00 N ATOM 394 CA GLU A 27 -2.590 -11.820 -3.075 1.00 0.00 C ATOM 395 C GLU A 27 -3.807 -11.451 -2.239 1.00 0.00 C ATOM 396 O GLU A 27 -4.138 -10.274 -2.087 1.00 0.00 O ATOM 397 CB GLU A 27 -3.039 -12.423 -4.407 1.00 0.00 C ATOM 398 CG GLU A 27 -3.917 -11.495 -5.232 1.00 0.00 C ATOM 399 CD GLU A 27 -4.355 -12.113 -6.545 1.00 0.00 C ATOM 400 OE1 GLU A 27 -3.970 -13.270 -6.816 1.00 0.00 O ATOM 401 OE2 GLU A 27 -5.082 -11.440 -7.305 1.00 0.00 O ATOM 0 H GLU A 27 -1.492 -13.594 -2.893 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.011 -10.917 -3.269 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.158 -12.689 -4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.584 -13.347 -4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.799 -11.225 -4.651 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.373 -10.572 -5.434 1.00 0.00 H new ATOM 408 N LYS A 28 -4.459 -12.467 -1.686 1.00 0.00 N ATOM 409 CA LYS A 28 -5.631 -12.257 -0.848 1.00 0.00 C ATOM 410 C LYS A 28 -5.249 -11.459 0.387 1.00 0.00 C ATOM 411 O LYS A 28 -5.928 -10.501 0.756 1.00 0.00 O ATOM 412 CB LYS A 28 -6.245 -13.597 -0.448 1.00 0.00 C ATOM 413 CG LYS A 28 -6.763 -14.392 -1.633 1.00 0.00 C ATOM 414 CD LYS A 28 -7.811 -13.611 -2.406 1.00 0.00 C ATOM 415 CE LYS A 28 -9.039 -13.336 -1.554 1.00 0.00 C ATOM 416 NZ LYS A 28 -9.683 -14.594 -1.086 1.00 0.00 N ATOM 0 H LYS A 28 -4.195 -13.445 -1.804 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.373 -11.694 -1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.498 -14.189 0.080 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.064 -13.421 0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.934 -14.645 -2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.191 -15.332 -1.284 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.385 -12.668 -2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.101 -14.171 -3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.755 -12.731 -0.693 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.757 -12.753 -2.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.632 -14.382 -0.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.762 -15.260 -1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.106 -15.020 -0.333 1.00 0.00 H new ATOM 430 N VAL A 29 -4.145 -11.850 1.016 1.00 0.00 N ATOM 431 CA VAL A 29 -3.658 -11.159 2.200 1.00 0.00 C ATOM 432 C VAL A 29 -3.518 -9.673 1.916 1.00 0.00 C ATOM 433 O VAL A 29 -3.916 -8.833 2.722 1.00 0.00 O ATOM 434 CB VAL A 29 -2.299 -11.727 2.661 1.00 0.00 C ATOM 435 CG1 VAL A 29 -1.750 -10.933 3.834 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.431 -13.200 3.022 1.00 0.00 C ATOM 0 H VAL A 29 -3.572 -12.642 0.724 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.384 -11.313 2.999 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.594 -11.638 1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.792 -11.352 4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.613 -9.893 3.537 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.451 -10.983 4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.463 -13.584 3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.154 -13.313 3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.771 -13.759 2.150 1.00 0.00 H new ATOM 446 N VAL A 30 -2.973 -9.358 0.750 1.00 0.00 N ATOM 447 CA VAL A 30 -2.809 -7.974 0.347 1.00 0.00 C ATOM 448 C VAL A 30 -4.182 -7.327 0.203 1.00 0.00 C ATOM 449 O VAL A 30 -4.417 -6.228 0.701 1.00 0.00 O ATOM 450 CB VAL A 30 -2.035 -7.861 -0.979 1.00 0.00 C ATOM 451 CG1 VAL A 30 -1.813 -6.403 -1.352 1.00 0.00 C ATOM 452 CG2 VAL A 30 -0.710 -8.602 -0.889 1.00 0.00 C ATOM 0 H VAL A 30 -2.639 -10.041 0.070 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.231 -7.458 1.114 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.633 -8.323 -1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.264 -6.347 -2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.776 -5.905 -1.464 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.239 -5.910 -0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.177 -8.511 -1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.106 -8.172 -0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.896 -9.655 -0.677 1.00 0.00 H new ATOM 462 N LYS A 31 -5.101 -8.022 -0.469 1.00 0.00 N ATOM 463 CA LYS A 31 -6.453 -7.506 -0.649 1.00 0.00 C ATOM 464 C LYS A 31 -7.037 -7.072 0.686 1.00 0.00 C ATOM 465 O LYS A 31 -7.578 -5.974 0.809 1.00 0.00 O ATOM 466 CB LYS A 31 -7.362 -8.546 -1.308 1.00 0.00 C ATOM 467 CG LYS A 31 -7.046 -8.773 -2.775 1.00 0.00 C ATOM 468 CD LYS A 31 -8.076 -9.672 -3.439 1.00 0.00 C ATOM 469 CE LYS A 31 -9.441 -9.009 -3.494 1.00 0.00 C ATOM 470 NZ LYS A 31 -10.447 -9.862 -4.183 1.00 0.00 N ATOM 0 H LYS A 31 -4.934 -8.935 -0.893 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.394 -6.641 -1.309 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.270 -9.491 -0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.399 -8.225 -1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.012 -7.814 -3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.057 -9.221 -2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.749 -9.917 -4.449 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.148 -10.611 -2.890 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.781 -8.794 -2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.360 -8.054 -4.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.365 -9.373 -4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.136 -10.047 -5.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.544 -10.764 -3.674 1.00 0.00 H new ATOM 484 N GLN A 32 -6.903 -7.929 1.692 1.00 0.00 N ATOM 485 CA GLN A 32 -7.401 -7.614 3.025 1.00 0.00 C ATOM 486 C GLN A 32 -6.692 -6.370 3.546 1.00 0.00 C ATOM 487 O GLN A 32 -7.294 -5.514 4.196 1.00 0.00 O ATOM 488 CB GLN A 32 -7.174 -8.792 3.975 1.00 0.00 C ATOM 489 CG GLN A 32 -7.723 -8.563 5.378 1.00 0.00 C ATOM 490 CD GLN A 32 -9.241 -8.424 5.430 1.00 0.00 C ATOM 491 OE1 GLN A 32 -9.924 -8.690 4.316 1.00 0.00 O flip ATOM 492 NE2 GLN A 32 -9.799 -8.095 6.476 1.00 0.00 N flip ATOM 0 H GLN A 32 -6.456 -8.842 1.611 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.473 -7.424 2.971 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.640 -9.682 3.553 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.105 -8.993 4.041 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.422 -9.394 6.016 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.271 -7.662 5.793 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.245 -7.899 7.310 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.816 -8.019 6.510 1.00 0.00 H new ATOM 501 N PHE A 33 -5.405 -6.282 3.234 1.00 0.00 N ATOM 502 CA PHE A 33 -4.573 -5.153 3.635 1.00 0.00 C ATOM 503 C PHE A 33 -5.218 -3.836 3.189 1.00 0.00 C ATOM 504 O PHE A 33 -5.590 -3.001 4.013 1.00 0.00 O ATOM 505 CB PHE A 33 -3.184 -5.322 3.005 1.00 0.00 C ATOM 506 CG PHE A 33 -2.145 -4.370 3.512 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.574 -4.558 4.759 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.730 -3.296 2.739 1.00 0.00 C ATOM 509 CE1 PHE A 33 -0.609 -3.690 5.226 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.765 -2.426 3.206 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.205 -2.626 4.451 1.00 0.00 C ATOM 0 H PHE A 33 -4.908 -6.991 2.696 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.477 -5.125 4.720 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.841 -6.341 3.183 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.273 -5.200 1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.887 -5.391 5.371 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.165 -3.139 1.763 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.170 -3.845 6.200 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.449 -1.591 2.598 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.551 -1.947 4.818 1.00 0.00 H new ATOM 521 N PHE A 34 -5.356 -3.679 1.877 1.00 0.00 N ATOM 522 CA PHE A 34 -5.967 -2.481 1.299 1.00 0.00 C ATOM 523 C PHE A 34 -7.449 -2.428 1.623 1.00 0.00 C ATOM 524 O PHE A 34 -7.994 -1.366 1.922 1.00 0.00 O ATOM 525 CB PHE A 34 -5.726 -2.447 -0.203 1.00 0.00 C ATOM 526 CG PHE A 34 -4.267 -2.453 -0.517 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.419 -1.558 0.111 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.738 -3.366 -1.407 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.067 -1.573 -0.143 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.386 -3.384 -1.671 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.549 -2.485 -1.034 1.00 0.00 C ATOM 0 H PHE A 34 -5.052 -4.368 1.189 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.502 -1.598 1.738 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.204 -3.308 -0.670 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.188 -1.556 -0.628 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.823 -0.839 0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.389 -4.072 -1.900 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.414 -0.871 0.355 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.981 -4.098 -2.373 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.488 -2.499 -1.236 1.00 0.00 H new ATOM 541 N ASN A 35 -8.093 -3.583 1.588 1.00 0.00 N ATOM 542 CA ASN A 35 -9.509 -3.678 1.907 1.00 0.00 C ATOM 543 C ASN A 35 -9.785 -2.984 3.239 1.00 0.00 C ATOM 544 O ASN A 35 -10.806 -2.320 3.418 1.00 0.00 O ATOM 545 CB ASN A 35 -9.911 -5.147 1.999 1.00 0.00 C ATOM 546 CG ASN A 35 -11.382 -5.339 2.273 1.00 0.00 C ATOM 547 OD1 ASN A 35 -11.938 -4.771 3.213 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.016 -6.163 1.454 1.00 0.00 N ATOM 0 H ASN A 35 -7.656 -4.471 1.341 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.090 -3.191 1.124 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.652 -5.648 1.066 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.334 -5.627 2.789 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.010 -6.351 1.588 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.511 -6.610 0.689 1.00 0.00 H new ATOM 555 N ASP A 36 -8.850 -3.161 4.163 1.00 0.00 N ATOM 556 CA ASP A 36 -8.951 -2.574 5.495 1.00 0.00 C ATOM 557 C ASP A 36 -8.223 -1.229 5.595 1.00 0.00 C ATOM 558 O ASP A 36 -8.551 -0.415 6.459 1.00 0.00 O ATOM 559 CB ASP A 36 -8.405 -3.543 6.544 1.00 0.00 C ATOM 560 CG ASP A 36 -9.167 -4.852 6.572 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.391 -4.821 6.820 1.00 0.00 O ATOM 562 OD2 ASP A 36 -8.541 -5.909 6.345 1.00 0.00 O ATOM 0 H ASP A 36 -8.005 -3.712 4.013 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.008 -2.388 5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.353 -3.742 6.338 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.455 -3.076 7.527 1.00 0.00 H new ATOM 567 N ASN A 37 -7.248 -0.985 4.720 1.00 0.00 N ATOM 568 CA ASN A 37 -6.518 0.283 4.752 1.00 0.00 C ATOM 569 C ASN A 37 -7.304 1.364 4.025 1.00 0.00 C ATOM 570 O ASN A 37 -7.459 2.475 4.529 1.00 0.00 O ATOM 571 CB ASN A 37 -5.132 0.148 4.107 1.00 0.00 C ATOM 572 CG ASN A 37 -4.218 -0.801 4.855 1.00 0.00 C ATOM 573 OD1 ASN A 37 -4.154 -0.781 6.083 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.473 -1.615 4.111 1.00 0.00 N ATOM 0 H ASN A 37 -6.949 -1.635 3.993 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.390 0.560 5.798 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.248 -0.202 3.081 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.663 1.131 4.058 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.816 -2.256 4.557 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.559 -1.598 3.095 1.00 0.00 H new ATOM 581 N GLY A 38 -7.792 1.007 2.839 1.00 0.00 N ATOM 582 CA GLY A 38 -8.572 1.906 1.998 1.00 0.00 C ATOM 583 C GLY A 38 -8.973 3.222 2.641 1.00 0.00 C ATOM 584 O GLY A 38 -8.134 4.087 2.893 1.00 0.00 O ATOM 0 H GLY A 38 -7.656 0.081 2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.997 2.122 1.097 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.476 1.386 1.682 1.00 0.00 H new ATOM 588 N VAL A 39 -10.276 3.397 2.836 1.00 0.00 N ATOM 589 CA VAL A 39 -10.814 4.643 3.376 1.00 0.00 C ATOM 590 C VAL A 39 -11.391 4.512 4.781 1.00 0.00 C ATOM 591 O VAL A 39 -11.960 5.472 5.302 1.00 0.00 O ATOM 592 CB VAL A 39 -11.935 5.159 2.466 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.388 6.550 2.888 1.00 0.00 C ATOM 594 CG2 VAL A 39 -11.501 5.145 1.010 1.00 0.00 C ATOM 0 H VAL A 39 -10.981 2.690 2.628 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.969 5.330 3.423 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.787 4.487 2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.183 6.890 2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.759 6.517 3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.546 7.240 2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.313 5.515 0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.627 5.784 0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.251 4.126 0.715 1.00 0.00 H new ATOM 604 N ASP A 40 -11.265 3.353 5.408 1.00 0.00 N ATOM 605 CA ASP A 40 -11.805 3.176 6.756 1.00 0.00 C ATOM 606 C ASP A 40 -10.739 2.686 7.739 1.00 0.00 C ATOM 607 O ASP A 40 -11.057 2.294 8.861 1.00 0.00 O ATOM 608 CB ASP A 40 -12.975 2.190 6.728 1.00 0.00 C ATOM 609 CG ASP A 40 -14.108 2.663 5.839 1.00 0.00 C ATOM 610 OD1 ASP A 40 -14.658 3.751 6.108 1.00 0.00 O ATOM 611 OD2 ASP A 40 -14.442 1.945 4.873 1.00 0.00 O ATOM 0 H ASP A 40 -10.803 2.532 5.018 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.153 4.150 7.100 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.621 1.221 6.377 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.349 2.045 7.742 1.00 0.00 H new ATOM 616 N GLY A 41 -9.477 2.700 7.315 1.00 0.00 N ATOM 617 CA GLY A 41 -8.402 2.243 8.180 1.00 0.00 C ATOM 618 C GLY A 41 -7.969 3.293 9.189 1.00 0.00 C ATOM 619 O GLY A 41 -8.419 4.437 9.141 1.00 0.00 O ATOM 0 H GLY A 41 -9.181 3.018 6.392 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.725 1.348 8.711 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.546 1.959 7.568 1.00 0.00 H new ATOM 623 N GLU A 42 -7.083 2.897 10.102 1.00 0.00 N ATOM 624 CA GLU A 42 -6.573 3.805 11.126 1.00 0.00 C ATOM 625 C GLU A 42 -5.242 4.406 10.685 1.00 0.00 C ATOM 626 O GLU A 42 -4.203 3.744 10.740 1.00 0.00 O ATOM 627 CB GLU A 42 -6.399 3.075 12.461 1.00 0.00 C ATOM 628 CG GLU A 42 -7.685 2.473 13.007 1.00 0.00 C ATOM 629 CD GLU A 42 -8.135 1.242 12.242 1.00 0.00 C ATOM 630 OE1 GLU A 42 -7.378 0.774 11.365 1.00 0.00 O ATOM 631 OE2 GLU A 42 -9.238 0.734 12.534 1.00 0.00 O ATOM 0 H GLU A 42 -6.704 1.952 10.153 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.298 4.607 11.261 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.662 2.281 12.337 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.996 3.772 13.195 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.540 2.210 14.055 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.474 3.224 12.973 1.00 0.00 H new ATOM 638 N TRP A 43 -5.285 5.650 10.217 1.00 0.00 N ATOM 639 CA TRP A 43 -4.090 6.328 9.730 1.00 0.00 C ATOM 640 C TRP A 43 -3.442 7.217 10.787 1.00 0.00 C ATOM 641 O TRP A 43 -4.020 8.216 11.212 1.00 0.00 O ATOM 642 CB TRP A 43 -4.441 7.184 8.517 1.00 0.00 C ATOM 643 CG TRP A 43 -4.944 6.395 7.352 1.00 0.00 C ATOM 644 CD1 TRP A 43 -5.883 5.405 7.367 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.529 6.536 5.994 1.00 0.00 C ATOM 646 NE1 TRP A 43 -6.076 4.921 6.097 1.00 0.00 N ATOM 647 CE2 TRP A 43 -5.254 5.601 5.235 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.612 7.365 5.351 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -5.086 5.474 3.860 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.448 7.241 3.989 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.180 6.302 3.254 1.00 0.00 C ATOM 0 H TRP A 43 -6.137 6.209 10.165 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.374 5.550 9.464 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -5.198 7.914 8.805 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.558 7.745 8.211 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.399 5.054 8.249 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.724 4.178 5.837 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.041 8.091 5.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.650 4.749 3.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.742 7.880 3.479 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.027 6.229 2.187 1.00 0.00 H new ATOM 662 N THR A 44 -2.222 6.863 11.175 1.00 0.00 N ATOM 663 CA THR A 44 -1.469 7.646 12.148 1.00 0.00 C ATOM 664 C THR A 44 -0.307 8.343 11.446 1.00 0.00 C ATOM 665 O THR A 44 0.349 7.754 10.587 1.00 0.00 O ATOM 666 CB THR A 44 -0.952 6.751 13.276 1.00 0.00 C ATOM 667 OG1 THR A 44 -0.138 5.714 12.763 1.00 0.00 O ATOM 668 CG2 THR A 44 -2.060 6.108 14.084 1.00 0.00 C ATOM 0 H THR A 44 -1.733 6.037 10.830 1.00 0.00 H new ATOM 0 HA THR A 44 -2.126 8.396 12.588 1.00 0.00 H new ATOM 0 HB THR A 44 -0.382 7.412 13.929 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.533 6.094 12.159 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.626 5.487 14.867 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.677 6.884 14.537 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.676 5.490 13.430 1.00 0.00 H new ATOM 676 N TYR A 45 -0.065 9.604 11.794 1.00 0.00 N ATOM 677 CA TYR A 45 1.009 10.370 11.168 1.00 0.00 C ATOM 678 C TYR A 45 2.122 10.687 12.166 1.00 0.00 C ATOM 679 O TYR A 45 1.858 10.960 13.336 1.00 0.00 O ATOM 680 CB TYR A 45 0.448 11.665 10.574 1.00 0.00 C ATOM 681 CG TYR A 45 1.450 12.465 9.769 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.447 11.836 9.032 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.392 13.853 9.740 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.359 12.567 8.294 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.300 14.590 9.004 1.00 0.00 C ATOM 686 CZ TYR A 45 3.280 13.944 8.284 1.00 0.00 C ATOM 687 OH TYR A 45 4.186 14.675 7.549 1.00 0.00 O ATOM 0 H TYR A 45 -0.594 10.114 12.501 1.00 0.00 H new ATOM 0 HA TYR A 45 1.438 9.763 10.371 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.401 11.421 9.936 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.069 12.288 11.384 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.510 10.758 9.036 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.624 14.364 10.302 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.129 12.063 7.729 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.241 15.668 8.993 1.00 0.00 H new ATOM 0 HH TYR A 45 4.021 14.534 6.593 1.00 0.00 H new ATOM 697 N ASP A 46 3.365 10.654 11.690 1.00 0.00 N ATOM 698 CA ASP A 46 4.518 10.943 12.533 1.00 0.00 C ATOM 699 C ASP A 46 5.342 12.086 11.947 1.00 0.00 C ATOM 700 O ASP A 46 6.321 11.855 11.236 1.00 0.00 O ATOM 701 CB ASP A 46 5.390 9.694 12.689 1.00 0.00 C ATOM 702 CG ASP A 46 6.593 9.931 13.584 1.00 0.00 C ATOM 703 OD1 ASP A 46 6.747 11.064 14.084 1.00 0.00 O ATOM 704 OD2 ASP A 46 7.379 8.982 13.782 1.00 0.00 O ATOM 0 H ASP A 46 3.597 10.429 10.723 1.00 0.00 H new ATOM 0 HA ASP A 46 4.155 11.245 13.515 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.788 8.884 13.102 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.731 9.368 11.706 1.00 0.00 H new ATOM 709 N ASP A 47 4.937 13.318 12.242 1.00 0.00 N ATOM 710 CA ASP A 47 5.636 14.499 11.741 1.00 0.00 C ATOM 711 C ASP A 47 7.141 14.396 11.977 1.00 0.00 C ATOM 712 O ASP A 47 7.941 14.857 11.165 1.00 0.00 O ATOM 713 CB ASP A 47 5.095 15.761 12.419 1.00 0.00 C ATOM 714 CG ASP A 47 3.598 15.926 12.233 1.00 0.00 C ATOM 715 OD1 ASP A 47 2.975 15.043 11.609 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.049 16.939 12.717 1.00 0.00 O ATOM 0 H ASP A 47 4.127 13.525 12.826 1.00 0.00 H new ATOM 0 HA ASP A 47 5.460 14.558 10.667 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.323 15.723 13.484 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.606 16.634 12.014 1.00 0.00 H new ATOM 721 N ALA A 48 7.514 13.798 13.103 1.00 0.00 N ATOM 722 CA ALA A 48 8.920 13.641 13.463 1.00 0.00 C ATOM 723 C ALA A 48 9.740 13.039 12.325 1.00 0.00 C ATOM 724 O ALA A 48 10.906 13.389 12.141 1.00 0.00 O ATOM 725 CB ALA A 48 9.048 12.781 14.713 1.00 0.00 C ATOM 0 H ALA A 48 6.861 13.413 13.785 1.00 0.00 H new ATOM 0 HA ALA A 48 9.319 14.635 13.663 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.101 12.671 14.972 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.519 13.258 15.538 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.616 11.798 14.524 1.00 0.00 H new ATOM 731 N THR A 49 9.134 12.129 11.570 1.00 0.00 N ATOM 732 CA THR A 49 9.827 11.480 10.462 1.00 0.00 C ATOM 733 C THR A 49 9.101 11.687 9.134 1.00 0.00 C ATOM 734 O THR A 49 9.400 11.014 8.147 1.00 0.00 O ATOM 735 CB THR A 49 9.977 9.983 10.740 1.00 0.00 C ATOM 736 OG1 THR A 49 8.707 9.372 10.893 1.00 0.00 O ATOM 737 CG2 THR A 49 10.783 9.683 11.984 1.00 0.00 C ATOM 0 H THR A 49 8.170 11.825 11.703 1.00 0.00 H new ATOM 0 HA THR A 49 10.812 11.940 10.379 1.00 0.00 H new ATOM 0 HB THR A 49 10.508 9.581 9.877 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.513 9.254 11.846 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.851 8.604 12.122 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.785 10.099 11.877 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.295 10.130 12.850 1.00 0.00 H new ATOM 745 N LYS A 50 8.147 12.616 9.105 1.00 0.00 N ATOM 746 CA LYS A 50 7.397 12.888 7.878 1.00 0.00 C ATOM 747 C LYS A 50 6.868 11.590 7.275 1.00 0.00 C ATOM 748 O LYS A 50 6.810 11.439 6.053 1.00 0.00 O ATOM 749 CB LYS A 50 8.303 13.584 6.858 1.00 0.00 C ATOM 750 CG LYS A 50 8.670 15.014 7.222 1.00 0.00 C ATOM 751 CD LYS A 50 7.526 15.976 6.943 1.00 0.00 C ATOM 752 CE LYS A 50 7.128 15.954 5.477 1.00 0.00 C ATOM 753 NZ LYS A 50 8.298 16.176 4.582 1.00 0.00 N ATOM 0 H LYS A 50 7.877 13.187 9.906 1.00 0.00 H new ATOM 0 HA LYS A 50 6.555 13.535 8.126 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.219 13.003 6.747 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.806 13.584 5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.938 15.064 8.277 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.549 15.320 6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.667 15.710 7.559 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.821 16.986 7.226 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.666 14.995 5.240 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.378 16.723 5.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.978 16.205 3.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.754 17.079 4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.980 15.400 4.703 1.00 0.00 H new ATOM 767 N THR A 51 6.511 10.640 8.134 1.00 0.00 N ATOM 768 CA THR A 51 6.021 9.348 7.673 1.00 0.00 C ATOM 769 C THR A 51 4.665 9.000 8.281 1.00 0.00 C ATOM 770 O THR A 51 4.389 9.310 9.440 1.00 0.00 O ATOM 771 CB THR A 51 7.042 8.260 8.017 1.00 0.00 C ATOM 772 OG1 THR A 51 8.287 8.528 7.397 1.00 0.00 O ATOM 773 CG2 THR A 51 6.615 6.871 7.600 1.00 0.00 C ATOM 0 H THR A 51 6.552 10.741 9.148 1.00 0.00 H new ATOM 0 HA THR A 51 5.889 9.407 6.593 1.00 0.00 H new ATOM 0 HB THR A 51 7.123 8.282 9.104 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.658 9.362 7.754 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.388 6.154 7.876 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.683 6.611 8.102 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.465 6.845 6.521 1.00 0.00 H new ATOM 781 N PHE A 52 3.830 8.341 7.482 1.00 0.00 N ATOM 782 CA PHE A 52 2.504 7.925 7.922 1.00 0.00 C ATOM 783 C PHE A 52 2.454 6.409 8.084 1.00 0.00 C ATOM 784 O PHE A 52 2.996 5.675 7.262 1.00 0.00 O ATOM 785 CB PHE A 52 1.443 8.358 6.907 1.00 0.00 C ATOM 786 CG PHE A 52 1.493 9.817 6.549 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.581 10.339 5.869 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.447 10.663 6.884 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.627 11.678 5.531 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.488 12.004 6.547 1.00 0.00 C ATOM 791 CZ PHE A 52 1.578 12.511 5.870 1.00 0.00 C ATOM 0 H PHE A 52 4.052 8.083 6.520 1.00 0.00 H new ATOM 0 HA PHE A 52 2.299 8.400 8.881 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.563 7.768 5.998 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.456 8.127 7.309 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.403 9.692 5.600 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.409 10.271 7.414 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.482 12.073 5.002 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.333 12.654 6.814 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.611 13.558 5.605 1.00 0.00 H new ATOM 801 N THR A 53 1.795 5.936 9.135 1.00 0.00 N ATOM 802 CA THR A 53 1.675 4.502 9.372 1.00 0.00 C ATOM 803 C THR A 53 0.223 4.050 9.303 1.00 0.00 C ATOM 804 O THR A 53 -0.632 4.542 10.036 1.00 0.00 O ATOM 805 CB THR A 53 2.284 4.111 10.721 1.00 0.00 C ATOM 806 OG1 THR A 53 1.980 5.076 11.712 1.00 0.00 O ATOM 807 CG2 THR A 53 3.787 3.935 10.678 1.00 0.00 C ATOM 0 H THR A 53 1.337 6.521 9.834 1.00 0.00 H new ATOM 0 HA THR A 53 2.231 3.997 8.582 1.00 0.00 H new ATOM 0 HB THR A 53 1.837 3.148 10.967 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.313 4.711 12.330 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.149 3.659 11.668 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.041 3.150 9.966 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.254 4.870 10.369 1.00 0.00 H new ATOM 815 N VAL A 54 -0.038 3.094 8.418 1.00 0.00 N ATOM 816 CA VAL A 54 -1.376 2.550 8.248 1.00 0.00 C ATOM 817 C VAL A 54 -1.447 1.146 8.834 1.00 0.00 C ATOM 818 O VAL A 54 -0.819 0.218 8.325 1.00 0.00 O ATOM 819 CB VAL A 54 -1.787 2.509 6.760 1.00 0.00 C ATOM 820 CG1 VAL A 54 -3.198 1.959 6.606 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.679 3.894 6.141 1.00 0.00 C ATOM 0 H VAL A 54 0.665 2.680 7.806 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.069 3.206 8.775 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.104 1.842 6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.467 1.939 5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.241 0.948 7.011 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.898 2.596 7.147 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.972 3.848 5.092 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.337 4.582 6.672 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.650 4.246 6.215 1.00 0.00 H new ATOM 831 N THR A 55 -2.209 0.995 9.912 1.00 0.00 N ATOM 832 CA THR A 55 -2.341 -0.302 10.563 1.00 0.00 C ATOM 833 C THR A 55 -3.660 -0.964 10.192 1.00 0.00 C ATOM 834 O THR A 55 -4.732 -0.490 10.571 1.00 0.00 O ATOM 835 CB THR A 55 -2.234 -0.157 12.079 1.00 0.00 C ATOM 836 OG1 THR A 55 -1.098 0.613 12.428 1.00 0.00 O ATOM 837 CG2 THR A 55 -2.115 -1.486 12.790 1.00 0.00 C ATOM 0 H THR A 55 -2.740 1.748 10.350 1.00 0.00 H new ATOM 0 HA THR A 55 -1.526 -0.937 10.214 1.00 0.00 H new ATOM 0 HB THR A 55 -3.156 0.332 12.393 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.047 0.697 13.403 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.042 -1.319 13.865 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.995 -2.093 12.576 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.222 -2.006 12.443 1.00 0.00 H new ATOM 845 N GLU A 56 -3.580 -2.059 9.441 1.00 0.00 N ATOM 846 CA GLU A 56 -4.783 -2.772 9.017 1.00 0.00 C ATOM 847 C GLU A 56 -5.234 -3.760 10.089 1.00 0.00 C ATOM 848 O GLU A 56 -6.460 -3.892 10.295 1.00 0.00 O ATOM 849 CB GLU A 56 -4.546 -3.496 7.684 1.00 0.00 C ATOM 850 CG GLU A 56 -3.694 -4.753 7.795 1.00 0.00 C ATOM 851 CD GLU A 56 -4.481 -5.961 8.273 1.00 0.00 C ATOM 852 OE1 GLU A 56 -5.712 -5.840 8.447 1.00 0.00 O ATOM 853 OE2 GLU A 56 -3.866 -7.030 8.462 1.00 0.00 O ATOM 854 OXT GLU A 56 -4.358 -4.395 10.714 1.00 0.00 O ATOM 0 H GLU A 56 -2.705 -2.469 9.116 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.576 -2.038 8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.511 -3.762 7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.066 -2.806 6.990 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.254 -4.974 6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.870 -4.567 8.483 1.00 0.00 H new ATOM 862 N MET B 1 6.292 18.730 -1.847 1.00 0.00 N ATOM 863 CA MET B 1 7.288 17.921 -1.097 1.00 0.00 C ATOM 864 C MET B 1 6.956 16.436 -1.175 1.00 0.00 C ATOM 865 O MET B 1 5.853 16.058 -1.573 1.00 0.00 O ATOM 866 CB MET B 1 7.301 18.400 0.358 1.00 0.00 C ATOM 867 CG MET B 1 8.358 17.726 1.221 1.00 0.00 C ATOM 868 SD MET B 1 8.721 18.654 2.724 1.00 0.00 S ATOM 869 CE MET B 1 7.110 18.687 3.503 1.00 0.00 C ATOM 0 H1 MET B 1 6.372 19.728 -1.564 1.00 0.00 H new ATOM 0 H2 MET B 1 6.472 18.644 -2.868 1.00 0.00 H new ATOM 0 H3 MET B 1 5.334 18.385 -1.635 1.00 0.00 H new ATOM 0 HA MET B 1 8.275 18.053 -1.539 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.466 19.477 0.374 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.320 18.222 0.798 1.00 0.00 H new ATOM 0 HG2 MET B 1 8.019 16.725 1.489 1.00 0.00 H new ATOM 0 HG3 MET B 1 9.274 17.608 0.641 1.00 0.00 H new ATOM 0 HE1 MET B 1 7.228 18.826 4.578 1.00 0.00 H new ATOM 0 HE2 MET B 1 6.524 19.510 3.093 1.00 0.00 H new ATOM 0 HE3 MET B 1 6.595 17.745 3.313 1.00 0.00 H new ATOM 881 N GLN B 2 7.912 15.596 -0.796 1.00 0.00 N ATOM 882 CA GLN B 2 7.715 14.152 -0.826 1.00 0.00 C ATOM 883 C GLN B 2 7.579 13.598 0.587 1.00 0.00 C ATOM 884 O GLN B 2 8.223 14.082 1.518 1.00 0.00 O ATOM 885 CB GLN B 2 8.877 13.475 -1.566 1.00 0.00 C ATOM 886 CG GLN B 2 8.770 11.955 -1.637 1.00 0.00 C ATOM 887 CD GLN B 2 9.128 11.238 -0.338 1.00 0.00 C ATOM 888 OE1 GLN B 2 8.868 10.044 -0.196 1.00 0.00 O ATOM 889 NE2 GLN B 2 9.746 11.942 0.606 1.00 0.00 N ATOM 0 H GLN B 2 8.831 15.890 -0.465 1.00 0.00 H new ATOM 0 HA GLN B 2 6.791 13.938 -1.362 1.00 0.00 H new ATOM 0 HB2 GLN B 2 8.929 13.872 -2.580 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.812 13.740 -1.072 1.00 0.00 H new ATOM 0 HG2 GLN B 2 7.751 11.687 -1.917 1.00 0.00 H new ATOM 0 HG3 GLN B 2 9.424 11.593 -2.430 1.00 0.00 H new ATOM 0 HE21 GLN B 2 9.947 12.931 0.456 1.00 0.00 H new ATOM 0 HE22 GLN B 2 10.019 11.493 1.480 1.00 0.00 H new ATOM 898 N TYR B 3 6.736 12.583 0.740 1.00 0.00 N ATOM 899 CA TYR B 3 6.515 11.967 2.043 1.00 0.00 C ATOM 900 C TYR B 3 6.656 10.452 1.957 1.00 0.00 C ATOM 901 O TYR B 3 6.341 9.847 0.932 1.00 0.00 O ATOM 902 CB TYR B 3 5.127 12.334 2.572 1.00 0.00 C ATOM 903 CG TYR B 3 4.915 13.822 2.750 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.987 14.690 1.666 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.638 14.358 4.002 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.792 16.050 1.827 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.440 15.715 4.170 1.00 0.00 C ATOM 908 CZ TYR B 3 4.518 16.556 3.080 1.00 0.00 C ATOM 909 OH TYR B 3 4.321 17.909 3.246 1.00 0.00 O ATOM 0 H TYR B 3 6.196 12.170 -0.020 1.00 0.00 H new ATOM 0 HA TYR B 3 7.271 12.345 2.732 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.373 11.949 1.885 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.970 11.837 3.529 1.00 0.00 H new ATOM 0 HD1 TYR B 3 5.199 14.296 0.683 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.576 13.703 4.858 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.854 16.712 0.976 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.225 16.115 5.150 1.00 0.00 H new ATOM 0 HH TYR B 3 4.137 18.099 4.190 1.00 0.00 H new ATOM 919 N LYS B 4 7.127 9.844 3.040 1.00 0.00 N ATOM 920 CA LYS B 4 7.305 8.398 3.085 1.00 0.00 C ATOM 921 C LYS B 4 6.194 7.745 3.898 1.00 0.00 C ATOM 922 O LYS B 4 6.147 7.878 5.118 1.00 0.00 O ATOM 923 CB LYS B 4 8.667 8.045 3.685 1.00 0.00 C ATOM 924 CG LYS B 4 8.937 6.550 3.740 1.00 0.00 C ATOM 925 CD LYS B 4 10.343 6.236 4.236 1.00 0.00 C ATOM 926 CE LYS B 4 10.548 6.651 5.686 1.00 0.00 C ATOM 927 NZ LYS B 4 10.615 8.130 5.852 1.00 0.00 N ATOM 0 H LYS B 4 7.392 10.329 3.897 1.00 0.00 H new ATOM 0 HA LYS B 4 7.260 8.019 2.064 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.449 8.526 3.098 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.728 8.454 4.693 1.00 0.00 H new ATOM 0 HG2 LYS B 4 8.208 6.075 4.396 1.00 0.00 H new ATOM 0 HG3 LYS B 4 8.800 6.121 2.747 1.00 0.00 H new ATOM 0 HD2 LYS B 4 10.531 5.167 4.136 1.00 0.00 H new ATOM 0 HD3 LYS B 4 11.071 6.748 3.607 1.00 0.00 H new ATOM 0 HE2 LYS B 4 9.732 6.257 6.292 1.00 0.00 H new ATOM 0 HE3 LYS B 4 11.469 6.204 6.062 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 11.416 8.374 6.469 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 10.745 8.578 4.922 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 9.731 8.472 6.281 1.00 0.00 H new ATOM 941 N VAL B 5 5.298 7.043 3.216 1.00 0.00 N ATOM 942 CA VAL B 5 4.189 6.379 3.882 1.00 0.00 C ATOM 943 C VAL B 5 4.520 4.921 4.188 1.00 0.00 C ATOM 944 O VAL B 5 4.980 4.179 3.322 1.00 0.00 O ATOM 945 CB VAL B 5 2.905 6.441 3.029 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.742 5.777 3.754 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.567 7.883 2.680 1.00 0.00 C ATOM 0 H VAL B 5 5.319 6.920 2.204 1.00 0.00 H new ATOM 0 HA VAL B 5 4.019 6.909 4.819 1.00 0.00 H new ATOM 0 HB VAL B 5 3.083 5.895 2.103 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.847 5.833 3.134 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.984 4.732 3.949 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.561 6.290 4.698 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.659 7.908 2.078 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.411 8.452 3.596 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.389 8.323 2.115 1.00 0.00 H new ATOM 957 N ILE B 6 4.280 4.522 5.430 1.00 0.00 N ATOM 958 CA ILE B 6 4.541 3.159 5.866 1.00 0.00 C ATOM 959 C ILE B 6 3.236 2.382 6.014 1.00 0.00 C ATOM 960 O ILE B 6 2.351 2.769 6.774 1.00 0.00 O ATOM 961 CB ILE B 6 5.313 3.138 7.204 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.729 3.678 7.000 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.355 1.733 7.790 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.529 3.774 8.280 1.00 0.00 C ATOM 0 H ILE B 6 3.902 5.129 6.157 1.00 0.00 H new ATOM 0 HA ILE B 6 5.156 2.682 5.103 1.00 0.00 H new ATOM 0 HB ILE B 6 4.789 3.779 7.913 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.258 3.033 6.298 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.670 4.666 6.543 1.00 0.00 H new ATOM 0 HG21 ILE B 6 5.904 1.748 8.731 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.338 1.383 7.969 1.00 0.00 H new ATOM 0 HG23 ILE B 6 5.852 1.062 7.090 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.523 4.164 8.060 1.00 0.00 H new ATOM 0 HD12 ILE B 6 7.023 4.442 8.976 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.619 2.784 8.728 1.00 0.00 H new ATOM 976 N LEU B 7 3.128 1.285 5.276 1.00 0.00 N ATOM 977 CA LEU B 7 1.936 0.450 5.319 1.00 0.00 C ATOM 978 C LEU B 7 2.183 -0.760 6.217 1.00 0.00 C ATOM 979 O LEU B 7 2.703 -1.782 5.770 1.00 0.00 O ATOM 980 CB LEU B 7 1.570 0.010 3.900 1.00 0.00 C ATOM 981 CG LEU B 7 1.740 1.091 2.834 1.00 0.00 C ATOM 982 CD1 LEU B 7 1.230 0.602 1.488 1.00 0.00 C ATOM 983 CD2 LEU B 7 1.030 2.370 3.256 1.00 0.00 C ATOM 0 H LEU B 7 3.853 0.953 4.640 1.00 0.00 H new ATOM 0 HA LEU B 7 1.104 1.019 5.733 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.186 -0.848 3.630 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.533 -0.327 3.894 1.00 0.00 H new ATOM 0 HG LEU B 7 2.802 1.311 2.730 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.360 1.387 0.743 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.791 -0.282 1.186 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.173 0.350 1.569 1.00 0.00 H new ATOM 0 HD21 LEU B 7 1.161 3.130 2.486 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.033 2.169 3.390 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.453 2.728 4.195 1.00 0.00 H new ATOM 995 N ASN B 8 1.841 -0.619 7.495 1.00 0.00 N ATOM 996 CA ASN B 8 2.058 -1.680 8.474 1.00 0.00 C ATOM 997 C ASN B 8 0.785 -2.476 8.758 1.00 0.00 C ATOM 998 O ASN B 8 -0.140 -1.982 9.402 1.00 0.00 O ATOM 999 CB ASN B 8 2.579 -1.065 9.774 1.00 0.00 C ATOM 1000 CG ASN B 8 3.048 -2.104 10.770 1.00 0.00 C ATOM 1001 OD1 ASN B 8 2.318 -3.035 11.109 1.00 0.00 O ATOM 1002 ND2 ASN B 8 4.270 -1.934 11.260 1.00 0.00 N ATOM 0 H ASN B 8 1.411 0.223 7.878 1.00 0.00 H new ATOM 0 HA ASN B 8 2.789 -2.373 8.058 1.00 0.00 H new ATOM 0 HB2 ASN B 8 3.403 -0.390 9.546 1.00 0.00 H new ATOM 0 HB3 ASN B 8 1.791 -0.464 10.227 1.00 0.00 H new ATOM 0 HD21 ASN B 8 4.640 -2.591 11.947 1.00 0.00 H new ATOM 0 HD22 ASN B 8 4.839 -1.147 10.949 1.00 0.00 H new ATOM 1009 N GLY B 9 0.739 -3.712 8.277 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.427 -4.542 8.504 1.00 0.00 C ATOM 1011 C GLY B 9 -0.114 -5.760 9.348 1.00 0.00 C ATOM 1012 O GLY B 9 0.970 -5.864 9.923 1.00 0.00 O ATOM 0 H GLY B 9 1.484 -4.152 7.737 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -1.200 -3.951 8.996 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.833 -4.863 7.545 1.00 0.00 H new ATOM 1016 N LYS B 10 -1.067 -6.681 9.426 1.00 0.00 N ATOM 1017 CA LYS B 10 -0.889 -7.894 10.210 1.00 0.00 C ATOM 1018 C LYS B 10 0.041 -8.877 9.503 1.00 0.00 C ATOM 1019 O LYS B 10 1.033 -9.327 10.074 1.00 0.00 O ATOM 1020 CB LYS B 10 -2.240 -8.558 10.479 1.00 0.00 C ATOM 1021 CG LYS B 10 -3.203 -7.682 11.265 1.00 0.00 C ATOM 1022 CD LYS B 10 -4.477 -8.428 11.646 1.00 0.00 C ATOM 1023 CE LYS B 10 -5.296 -8.830 10.427 1.00 0.00 C ATOM 1024 NZ LYS B 10 -4.659 -9.936 9.655 1.00 0.00 N ATOM 0 H LYS B 10 -1.969 -6.610 8.956 1.00 0.00 H new ATOM 0 HA LYS B 10 -0.433 -7.613 11.159 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.700 -8.826 9.528 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -2.077 -9.486 11.027 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -2.710 -7.322 12.168 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -3.461 -6.805 10.672 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -4.217 -9.320 12.217 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -5.083 -7.798 12.297 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -6.291 -9.140 10.747 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -5.425 -7.964 9.777 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -4.120 -9.538 8.859 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -4.017 -10.468 10.276 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -5.395 -10.574 9.290 1.00 0.00 H new ATOM 1038 N THR B 11 -0.296 -9.218 8.263 1.00 0.00 N ATOM 1039 CA THR B 11 0.488 -10.156 7.479 1.00 0.00 C ATOM 1040 C THR B 11 1.183 -9.459 6.319 1.00 0.00 C ATOM 1041 O THR B 11 1.724 -10.112 5.427 1.00 0.00 O ATOM 1042 CB THR B 11 -0.430 -11.249 6.942 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.637 -10.686 6.463 1.00 0.00 O ATOM 1044 CG2 THR B 11 -0.784 -12.299 7.968 1.00 0.00 C ATOM 0 H THR B 11 -1.116 -8.852 7.779 1.00 0.00 H new ATOM 0 HA THR B 11 1.254 -10.589 8.122 1.00 0.00 H new ATOM 0 HB THR B 11 0.130 -11.733 6.142 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.389 -11.263 6.712 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.439 -13.044 7.516 1.00 0.00 H new ATOM 0 HG22 THR B 11 0.126 -12.783 8.322 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.295 -11.829 8.808 1.00 0.00 H new ATOM 1052 N LEU B 12 1.156 -8.132 6.323 1.00 0.00 N ATOM 1053 CA LEU B 12 1.773 -7.367 5.258 1.00 0.00 C ATOM 1054 C LEU B 12 2.510 -6.149 5.802 1.00 0.00 C ATOM 1055 O LEU B 12 2.025 -5.461 6.700 1.00 0.00 O ATOM 1056 CB LEU B 12 0.712 -6.943 4.243 1.00 0.00 C ATOM 1057 CG LEU B 12 1.231 -6.103 3.083 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.403 -6.805 2.425 1.00 0.00 C ATOM 1059 CD2 LEU B 12 0.121 -5.839 2.073 1.00 0.00 C ATOM 0 H LEU B 12 0.714 -7.569 7.050 1.00 0.00 H new ATOM 0 HA LEU B 12 2.509 -8.001 4.764 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.238 -7.838 3.840 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.062 -6.379 4.763 1.00 0.00 H new ATOM 0 HG LEU B 12 1.570 -5.141 3.467 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.771 -6.200 1.596 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.201 -6.943 3.155 1.00 0.00 H new ATOM 0 HD13 LEU B 12 2.081 -7.777 2.050 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.512 -5.238 1.252 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.250 -6.787 1.684 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.694 -5.303 2.560 1.00 0.00 H new ATOM 1071 N LYS B 13 3.686 -5.892 5.241 1.00 0.00 N ATOM 1072 CA LYS B 13 4.505 -4.759 5.649 1.00 0.00 C ATOM 1073 C LYS B 13 5.233 -4.176 4.446 1.00 0.00 C ATOM 1074 O LYS B 13 5.640 -4.909 3.545 1.00 0.00 O ATOM 1075 CB LYS B 13 5.521 -5.181 6.715 1.00 0.00 C ATOM 1076 CG LYS B 13 4.903 -5.914 7.895 1.00 0.00 C ATOM 1077 CD LYS B 13 4.764 -7.407 7.630 1.00 0.00 C ATOM 1078 CE LYS B 13 6.120 -8.082 7.492 1.00 0.00 C ATOM 1079 NZ LYS B 13 6.957 -7.907 8.712 1.00 0.00 N ATOM 0 H LYS B 13 4.095 -6.458 4.497 1.00 0.00 H new ATOM 0 HA LYS B 13 3.849 -3.999 6.073 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.272 -5.822 6.254 1.00 0.00 H new ATOM 0 HB3 LYS B 13 6.039 -4.295 7.081 1.00 0.00 H new ATOM 0 HG2 LYS B 13 5.519 -5.759 8.781 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.922 -5.491 8.111 1.00 0.00 H new ATOM 0 HD2 LYS B 13 4.208 -7.871 8.444 1.00 0.00 H new ATOM 0 HD3 LYS B 13 4.185 -7.563 6.719 1.00 0.00 H new ATOM 0 HE2 LYS B 13 5.978 -9.145 7.299 1.00 0.00 H new ATOM 0 HE3 LYS B 13 6.644 -7.669 6.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 7.742 -8.590 8.696 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 7.340 -6.940 8.735 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 6.375 -8.069 9.559 1.00 0.00 H new ATOM 1093 N GLY B 14 5.400 -2.858 4.430 1.00 0.00 N ATOM 1094 CA GLY B 14 6.082 -2.224 3.320 1.00 0.00 C ATOM 1095 C GLY B 14 6.257 -0.731 3.503 1.00 0.00 C ATOM 1096 O GLY B 14 5.959 -0.183 4.565 1.00 0.00 O ATOM 0 H GLY B 14 5.078 -2.223 5.160 1.00 0.00 H new ATOM 0 HA2 GLY B 14 7.061 -2.685 3.192 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.521 -2.408 2.404 1.00 0.00 H new ATOM 1100 N GLU B 15 6.742 -0.074 2.455 1.00 0.00 N ATOM 1101 CA GLU B 15 6.961 1.365 2.482 1.00 0.00 C ATOM 1102 C GLU B 15 6.632 1.980 1.128 1.00 0.00 C ATOM 1103 O GLU B 15 6.983 1.434 0.082 1.00 0.00 O ATOM 1104 CB GLU B 15 8.408 1.680 2.865 1.00 0.00 C ATOM 1105 CG GLU B 15 8.801 1.156 4.237 1.00 0.00 C ATOM 1106 CD GLU B 15 10.237 1.483 4.597 1.00 0.00 C ATOM 1107 OE1 GLU B 15 11.148 1.049 3.861 1.00 0.00 O ATOM 1108 OE2 GLU B 15 10.451 2.175 5.615 1.00 0.00 O ATOM 0 H GLU B 15 6.992 -0.520 1.572 1.00 0.00 H new ATOM 0 HA GLU B 15 6.299 1.797 3.232 1.00 0.00 H new ATOM 0 HB2 GLU B 15 9.075 1.252 2.117 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.555 2.760 2.842 1.00 0.00 H new ATOM 0 HG2 GLU B 15 8.136 1.582 4.988 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.661 0.075 4.263 1.00 0.00 H new ATOM 1115 N THR B 16 5.950 3.115 1.158 1.00 0.00 N ATOM 1116 CA THR B 16 5.561 3.811 -0.062 1.00 0.00 C ATOM 1117 C THR B 16 5.839 5.309 0.048 1.00 0.00 C ATOM 1118 O THR B 16 6.130 5.815 1.130 1.00 0.00 O ATOM 1119 CB THR B 16 4.083 3.547 -0.366 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.574 4.532 -1.232 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.202 3.516 0.863 1.00 0.00 C ATOM 0 H THR B 16 5.653 3.576 2.018 1.00 0.00 H new ATOM 0 HA THR B 16 6.160 3.427 -0.887 1.00 0.00 H new ATOM 0 HB THR B 16 4.059 2.559 -0.825 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.862 4.146 -1.784 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.171 3.324 0.567 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.540 2.726 1.533 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.260 4.476 1.376 1.00 0.00 H new ATOM 1129 N THR B 17 5.770 6.014 -1.083 1.00 0.00 N ATOM 1130 CA THR B 17 6.041 7.450 -1.098 1.00 0.00 C ATOM 1131 C THR B 17 5.142 8.215 -2.072 1.00 0.00 C ATOM 1132 O THR B 17 5.172 7.984 -3.281 1.00 0.00 O ATOM 1133 CB THR B 17 7.505 7.698 -1.457 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.829 7.086 -2.692 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.474 7.179 -0.417 1.00 0.00 C ATOM 0 H THR B 17 5.531 5.617 -1.992 1.00 0.00 H new ATOM 0 HA THR B 17 5.825 7.823 -0.097 1.00 0.00 H new ATOM 0 HB THR B 17 7.608 8.782 -1.515 1.00 0.00 H new ATOM 0 HG1 THR B 17 7.040 7.084 -3.273 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.495 7.388 -0.735 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.283 7.671 0.536 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.343 6.103 -0.302 1.00 0.00 H new ATOM 1143 N THR B 18 4.365 9.150 -1.527 1.00 0.00 N ATOM 1144 CA THR B 18 3.471 9.991 -2.322 1.00 0.00 C ATOM 1145 C THR B 18 4.029 11.412 -2.380 1.00 0.00 C ATOM 1146 O THR B 18 4.614 11.892 -1.408 1.00 0.00 O ATOM 1147 CB THR B 18 2.071 10.012 -1.704 1.00 0.00 C ATOM 1148 OG1 THR B 18 1.168 10.704 -2.547 1.00 0.00 O ATOM 1149 CG2 THR B 18 2.026 10.671 -0.343 1.00 0.00 C ATOM 0 H THR B 18 4.337 9.345 -0.526 1.00 0.00 H new ATOM 0 HA THR B 18 3.402 9.582 -3.330 1.00 0.00 H new ATOM 0 HB THR B 18 1.787 8.966 -1.590 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.411 10.549 -3.484 1.00 0.00 H new ATOM 0 HG21 THR B 18 1.005 10.652 0.037 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.679 10.132 0.344 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.362 11.704 -0.428 1.00 0.00 H new ATOM 1157 N GLU B 19 3.845 12.086 -3.506 1.00 0.00 N ATOM 1158 CA GLU B 19 4.334 13.452 -3.657 1.00 0.00 C ATOM 1159 C GLU B 19 3.170 14.435 -3.632 1.00 0.00 C ATOM 1160 O GLU B 19 2.323 14.427 -4.525 1.00 0.00 O ATOM 1161 CB GLU B 19 5.125 13.597 -4.958 1.00 0.00 C ATOM 1162 CG GLU B 19 5.645 15.004 -5.202 1.00 0.00 C ATOM 1163 CD GLU B 19 6.430 15.119 -6.494 1.00 0.00 C ATOM 1164 OE1 GLU B 19 7.454 14.417 -6.632 1.00 0.00 O ATOM 1165 OE2 GLU B 19 6.022 15.912 -7.368 1.00 0.00 O ATOM 0 H GLU B 19 3.364 11.714 -4.325 1.00 0.00 H new ATOM 0 HA GLU B 19 4.999 13.676 -2.823 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.968 12.906 -4.940 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.490 13.304 -5.794 1.00 0.00 H new ATOM 0 HG2 GLU B 19 4.805 15.698 -5.228 1.00 0.00 H new ATOM 0 HG3 GLU B 19 6.280 15.303 -4.368 1.00 0.00 H new ATOM 1172 N ALA B 20 3.124 15.276 -2.601 1.00 0.00 N ATOM 1173 CA ALA B 20 2.048 16.249 -2.469 1.00 0.00 C ATOM 1174 C ALA B 20 2.533 17.558 -1.852 1.00 0.00 C ATOM 1175 O ALA B 20 3.511 17.589 -1.104 1.00 0.00 O ATOM 1176 CB ALA B 20 0.918 15.661 -1.638 1.00 0.00 C ATOM 0 H ALA B 20 3.815 15.302 -1.851 1.00 0.00 H new ATOM 0 HA ALA B 20 1.683 16.478 -3.470 1.00 0.00 H new ATOM 0 HB1 ALA B 20 0.117 16.394 -1.543 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.535 14.765 -2.127 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.292 15.402 -0.647 1.00 0.00 H new ATOM 1182 N VAL B 21 1.843 18.639 -2.198 1.00 0.00 N ATOM 1183 CA VAL B 21 2.186 19.975 -1.715 1.00 0.00 C ATOM 1184 C VAL B 21 2.342 20.010 -0.195 1.00 0.00 C ATOM 1185 O VAL B 21 3.063 20.855 0.341 1.00 0.00 O ATOM 1186 CB VAL B 21 1.113 20.999 -2.125 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.556 22.413 -1.779 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.795 20.874 -3.606 1.00 0.00 C ATOM 0 H VAL B 21 1.034 18.616 -2.818 1.00 0.00 H new ATOM 0 HA VAL B 21 3.141 20.235 -2.172 1.00 0.00 H new ATOM 0 HB VAL B 21 0.203 20.787 -1.564 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.782 23.120 -2.078 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.722 22.490 -0.704 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.481 22.644 -2.307 1.00 0.00 H new ATOM 0 HG21 VAL B 21 0.034 21.606 -3.878 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.698 21.056 -4.189 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.424 19.871 -3.815 1.00 0.00 H new ATOM 1198 N ASP B 22 1.674 19.094 0.496 1.00 0.00 N ATOM 1199 CA ASP B 22 1.760 19.039 1.953 1.00 0.00 C ATOM 1200 C ASP B 22 1.381 17.661 2.481 1.00 0.00 C ATOM 1201 O ASP B 22 0.935 16.796 1.728 1.00 0.00 O ATOM 1202 CB ASP B 22 0.870 20.110 2.590 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.580 20.000 2.162 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -0.861 20.207 0.963 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.433 19.707 3.024 1.00 0.00 O ATOM 0 H ASP B 22 1.072 18.385 0.077 1.00 0.00 H new ATOM 0 HA ASP B 22 2.797 19.234 2.227 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.931 20.028 3.675 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.249 21.097 2.323 1.00 0.00 H new ATOM 1210 N ALA B 23 1.567 17.466 3.784 1.00 0.00 N ATOM 1211 CA ALA B 23 1.253 16.195 4.420 1.00 0.00 C ATOM 1212 C ALA B 23 -0.212 15.832 4.224 1.00 0.00 C ATOM 1213 O ALA B 23 -0.542 14.680 3.951 1.00 0.00 O ATOM 1214 CB ALA B 23 1.599 16.243 5.900 1.00 0.00 C ATOM 0 H ALA B 23 1.934 18.175 4.419 1.00 0.00 H new ATOM 0 HA ALA B 23 1.857 15.421 3.946 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.358 15.285 6.361 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.663 16.445 6.018 1.00 0.00 H new ATOM 0 HB3 ALA B 23 1.024 17.033 6.383 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.085 16.819 4.359 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.514 16.590 4.186 1.00 0.00 C ATOM 1222 C ALA B 24 -2.805 16.167 2.756 1.00 0.00 C ATOM 1223 O ALA B 24 -3.405 15.117 2.525 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.308 17.833 4.556 1.00 0.00 C ATOM 0 H ALA B 24 -0.833 17.781 4.586 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.822 15.786 4.855 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.372 17.639 4.419 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.117 18.090 5.598 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.005 18.662 3.916 1.00 0.00 H new ATOM 1230 N THR B 25 -2.353 16.966 1.791 1.00 0.00 N ATOM 1231 CA THR B 25 -2.552 16.627 0.395 1.00 0.00 C ATOM 1232 C THR B 25 -1.982 15.242 0.136 1.00 0.00 C ATOM 1233 O THR B 25 -2.613 14.409 -0.515 1.00 0.00 O ATOM 1234 CB THR B 25 -1.910 17.673 -0.515 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.616 18.019 -0.056 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.725 18.945 -0.630 1.00 0.00 C ATOM 0 H THR B 25 -1.853 17.840 1.953 1.00 0.00 H new ATOM 0 HA THR B 25 -3.619 16.619 0.170 1.00 0.00 H new ATOM 0 HB THR B 25 -1.858 17.207 -1.499 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.527 18.995 -0.034 1.00 0.00 H new ATOM 0 HG21 THR B 25 -2.214 19.646 -1.290 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.708 18.712 -1.039 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.840 19.394 0.357 1.00 0.00 H new ATOM 1244 N ALA B 26 -0.798 14.988 0.689 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.165 13.687 0.552 1.00 0.00 C ATOM 1246 C ALA B 26 -1.062 12.624 1.173 1.00 0.00 C ATOM 1247 O ALA B 26 -1.394 11.624 0.534 1.00 0.00 O ATOM 1248 CB ALA B 26 1.207 13.684 1.212 1.00 0.00 C ATOM 0 H ALA B 26 -0.263 15.665 1.233 1.00 0.00 H new ATOM 0 HA ALA B 26 -0.026 13.466 -0.506 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.663 12.701 1.098 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.840 14.435 0.739 1.00 0.00 H new ATOM 0 HB3 ALA B 26 1.101 13.914 2.272 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.468 12.856 2.422 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.346 11.933 3.131 1.00 0.00 C ATOM 1256 C GLU B 27 -3.558 11.592 2.277 1.00 0.00 C ATOM 1257 O GLU B 27 -3.916 10.425 2.120 1.00 0.00 O ATOM 1258 CB GLU B 27 -2.799 12.546 4.456 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.711 11.640 5.267 1.00 0.00 C ATOM 1260 CD GLU B 27 -4.152 12.269 6.574 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -3.742 13.417 6.850 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -4.906 11.613 7.324 1.00 0.00 O ATOM 0 H GLU B 27 -1.200 13.679 2.962 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.791 11.017 3.335 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -1.920 12.790 5.053 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.318 13.483 4.254 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.591 11.392 4.673 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -3.193 10.704 5.476 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.179 12.625 1.714 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.342 12.442 0.860 1.00 0.00 C ATOM 1271 C LYS B 28 -4.963 11.636 -0.370 1.00 0.00 C ATOM 1272 O LYS B 28 -5.661 10.694 -0.748 1.00 0.00 O ATOM 1273 CB LYS B 28 -5.919 13.798 0.452 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.434 14.605 1.629 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.510 13.849 2.387 1.00 0.00 C ATOM 1276 CE LYS B 28 -8.733 13.604 1.518 1.00 0.00 C ATOM 1277 NZ LYS B 28 -9.340 14.877 1.042 1.00 0.00 N ATOM 0 H LYS B 28 -3.894 13.597 1.836 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.104 11.895 1.415 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.151 14.372 -0.066 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.732 13.642 -0.257 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.609 14.839 2.301 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.835 15.554 1.274 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -7.111 12.896 2.734 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.799 14.415 3.273 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.452 12.993 0.660 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.473 13.038 2.084 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.289 14.688 0.660 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -9.413 15.545 1.836 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -8.743 15.289 0.297 1.00 0.00 H new ATOM 1291 N VAL B 29 -3.842 12.000 -0.983 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.355 11.297 -2.160 1.00 0.00 C ATOM 1293 C VAL B 29 -3.255 9.808 -1.874 1.00 0.00 C ATOM 1294 O VAL B 29 -3.662 8.977 -2.687 1.00 0.00 O ATOM 1295 CB VAL B 29 -1.977 11.832 -2.603 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -1.429 11.024 -3.768 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.068 13.307 -2.963 1.00 0.00 C ATOM 0 H VAL B 29 -3.255 12.778 -0.683 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.066 11.468 -2.969 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.286 11.725 -1.767 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.457 11.421 -4.061 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.320 9.982 -3.468 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.117 11.089 -4.611 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.087 13.667 -3.273 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -2.778 13.439 -3.780 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.405 13.873 -2.095 1.00 0.00 H new ATOM 1307 N VAL B 30 -2.734 9.481 -0.702 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.610 8.093 -0.297 1.00 0.00 C ATOM 1309 C VAL B 30 -4.000 7.478 -0.171 1.00 0.00 C ATOM 1310 O VAL B 30 -4.253 6.387 -0.672 1.00 0.00 O ATOM 1311 CB VAL B 30 -1.858 7.961 1.040 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.675 6.497 1.416 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.513 8.670 0.968 1.00 0.00 C ATOM 0 H VAL B 30 -2.392 10.156 -0.018 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.035 7.564 -1.057 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.457 8.437 1.817 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.141 6.429 2.364 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.651 6.022 1.514 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.101 5.991 0.639 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.004 8.566 1.922 1.00 0.00 H new ATOM 0 HG22 VAL B 30 0.091 8.225 0.177 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.670 9.727 0.753 1.00 0.00 H new ATOM 1323 N LYS B 31 -4.911 8.197 0.488 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.278 7.714 0.649 1.00 0.00 C ATOM 1325 C LYS B 31 -6.853 7.292 -0.696 1.00 0.00 C ATOM 1326 O LYS B 31 -7.418 6.209 -0.826 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.169 8.774 1.294 1.00 0.00 C ATOM 1328 CG LYS B 31 -6.870 8.995 2.765 1.00 0.00 C ATOM 1329 CD LYS B 31 -7.885 9.919 3.416 1.00 0.00 C ATOM 1330 CE LYS B 31 -9.268 9.289 3.451 1.00 0.00 C ATOM 1331 NZ LYS B 31 -10.263 10.168 4.126 1.00 0.00 N ATOM 0 H LYS B 31 -4.727 9.106 0.914 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.250 6.848 1.311 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.046 9.716 0.760 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.212 8.478 1.183 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -6.867 8.036 3.283 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -5.872 9.419 2.873 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -7.566 10.155 4.431 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -7.926 10.860 2.868 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -9.598 9.082 2.433 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -9.218 8.332 3.971 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -11.193 9.702 4.129 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -9.962 10.345 5.105 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -10.330 11.072 3.616 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.684 8.147 -1.698 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.170 7.843 -3.038 1.00 0.00 C ATOM 1347 C GLN B 32 -6.485 6.582 -3.549 1.00 0.00 C ATOM 1348 O GLN B 32 -7.098 5.742 -4.207 1.00 0.00 O ATOM 1349 CB GLN B 32 -6.901 9.016 -3.986 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.436 8.800 -5.395 1.00 0.00 C ATOM 1351 CD GLN B 32 -8.955 8.697 -5.469 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -9.648 8.981 -4.366 1.00 0.00 O flip ATOM 1353 NE2 GLN B 32 -9.506 8.382 -6.524 1.00 0.00 N flip ATOM 0 H GLN B 32 -6.218 9.050 -1.609 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.247 7.679 -2.999 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.351 9.918 -3.571 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -5.826 9.191 -4.038 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.106 9.623 -6.029 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -6.999 7.889 -5.803 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -8.945 8.171 -7.349 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -10.524 8.332 -6.573 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.205 6.464 -3.220 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.395 5.315 -3.608 1.00 0.00 C ATOM 1364 C PHE B 33 -5.077 4.013 -3.173 1.00 0.00 C ATOM 1365 O PHE B 33 -5.459 3.188 -4.002 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.011 5.449 -2.960 1.00 0.00 C ATOM 1367 CG PHE B 33 -1.989 4.473 -3.454 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.396 4.646 -4.690 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.611 3.389 -2.673 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.445 3.756 -5.144 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.660 2.496 -3.126 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.078 2.682 -4.365 1.00 0.00 C ATOM 0 H PHE B 33 -4.698 7.162 -2.676 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.286 5.286 -4.692 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.641 6.460 -3.133 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.117 5.328 -1.882 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -1.680 5.486 -5.306 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -2.064 3.243 -1.704 1.00 0.00 H new ATOM 0 HE1 PHE B 33 0.012 3.902 -6.112 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.372 1.655 -2.513 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.665 1.985 -4.723 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.238 3.860 -1.863 1.00 0.00 N ATOM 1383 CA PHE B 34 -5.886 2.678 -1.294 1.00 0.00 C ATOM 1384 C PHE B 34 -7.364 2.660 -1.638 1.00 0.00 C ATOM 1385 O PHE B 34 -7.930 1.612 -1.945 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.669 2.639 0.212 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.213 2.608 0.547 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.378 1.692 -0.069 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.674 3.509 1.443 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -2.031 1.675 0.204 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.326 3.494 1.728 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.503 2.575 1.102 1.00 0.00 C ATOM 0 H PHE B 34 -4.928 4.542 -1.170 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.436 1.785 -1.727 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.132 3.512 0.672 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.160 1.760 0.630 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.789 0.983 -0.772 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.315 4.232 1.925 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.389 0.957 -0.285 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -1.914 4.197 2.437 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.445 2.564 1.318 1.00 0.00 H new ATOM 1402 N ASN B 35 -7.980 3.831 -1.612 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.390 3.960 -1.952 1.00 0.00 C ATOM 1404 C ASN B 35 -9.663 3.274 -3.285 1.00 0.00 C ATOM 1405 O ASN B 35 -10.698 2.634 -3.480 1.00 0.00 O ATOM 1406 CB ASN B 35 -9.753 5.439 -2.049 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.217 5.667 -2.343 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.772 5.113 -3.291 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -11.841 6.506 -1.533 1.00 0.00 N ATOM 0 H ASN B 35 -7.525 4.708 -1.359 1.00 0.00 H new ATOM 0 HA ASN B 35 -9.995 3.488 -1.178 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.494 5.934 -1.113 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.154 5.904 -2.831 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -12.827 6.719 -1.681 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.336 6.940 -0.760 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.711 3.428 -4.197 1.00 0.00 N ATOM 1417 CA ASP B 36 -8.806 2.841 -5.530 1.00 0.00 C ATOM 1418 C ASP B 36 -8.111 1.481 -5.621 1.00 0.00 C ATOM 1419 O ASP B 36 -8.446 0.673 -6.489 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.222 3.797 -6.572 1.00 0.00 C ATOM 1421 CG ASP B 36 -8.953 5.125 -6.611 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -10.173 5.124 -6.877 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -8.305 6.166 -6.375 1.00 0.00 O ATOM 0 H ASP B 36 -7.856 3.960 -4.036 1.00 0.00 H new ATOM 0 HA ASP B 36 -9.865 2.679 -5.733 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.169 3.971 -6.352 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.269 3.330 -7.556 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.154 1.214 -4.732 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.454 -0.073 -4.754 1.00 0.00 C ATOM 1430 C ASN B 37 -7.277 -1.134 -4.040 1.00 0.00 C ATOM 1431 O ASN B 37 -7.452 -2.242 -4.544 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.076 0.028 -4.091 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.129 0.955 -4.823 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -4.047 0.933 -6.052 1.00 0.00 O ATOM 1435 ND2 ASN B 37 -3.374 1.751 -4.071 1.00 0.00 N ATOM 0 H ASN B 37 -6.849 1.857 -4.001 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.318 -0.354 -5.798 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.198 0.379 -3.066 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.632 -0.966 -4.037 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -2.696 2.374 -4.509 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.473 1.738 -3.056 1.00 0.00 H new ATOM 1442 N GLY B 38 -7.773 -0.766 -2.859 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.586 -1.644 -2.030 1.00 0.00 C ATOM 1444 C GLY B 38 -9.011 -2.951 -2.680 1.00 0.00 C ATOM 1445 O GLY B 38 -8.189 -3.837 -2.919 1.00 0.00 O ATOM 0 H GLY B 38 -7.619 0.156 -2.451 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.030 -1.875 -1.121 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.481 -1.102 -1.726 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.314 -3.093 -2.893 1.00 0.00 N ATOM 1450 CA VAL B 39 -10.874 -4.327 -3.438 1.00 0.00 C ATOM 1451 C VAL B 39 -11.429 -4.183 -4.854 1.00 0.00 C ATOM 1452 O VAL B 39 -12.013 -5.128 -5.383 1.00 0.00 O ATOM 1453 CB VAL B 39 -12.022 -4.815 -2.547 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -12.501 -6.194 -2.974 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -11.607 -4.811 -1.083 1.00 0.00 C ATOM 0 H VAL B 39 -11.005 -2.368 -2.697 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.045 -5.034 -3.469 1.00 0.00 H new ATOM 0 HB VAL B 39 -12.856 -4.124 -2.665 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -13.315 -6.514 -2.324 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.854 -6.154 -4.005 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -11.678 -6.904 -2.900 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -12.437 -5.161 -0.469 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -10.750 -5.471 -0.946 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -11.336 -3.798 -0.784 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.266 -3.027 -5.479 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.781 -2.836 -6.834 1.00 0.00 C ATOM 1467 C ASP B 40 -10.689 -2.373 -7.800 1.00 0.00 C ATOM 1468 O ASP B 40 -10.983 -1.975 -8.927 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.927 -1.823 -6.822 1.00 0.00 C ATOM 1470 CG ASP B 40 -14.084 -2.268 -5.949 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -14.657 -3.342 -6.227 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -14.415 -1.542 -4.988 1.00 0.00 O ATOM 0 H ASP B 40 -10.790 -2.217 -5.082 1.00 0.00 H new ATOM 0 HA ASP B 40 -12.147 -3.801 -7.185 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.555 -0.862 -6.466 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -13.283 -1.669 -7.841 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.436 -2.418 -7.359 1.00 0.00 N ATOM 1478 CA GLY B 41 -8.338 -1.989 -8.210 1.00 0.00 C ATOM 1479 C GLY B 41 -7.916 -3.048 -9.213 1.00 0.00 C ATOM 1480 O GLY B 41 -8.394 -4.180 -9.170 1.00 0.00 O ATOM 0 H GLY B 41 -9.161 -2.742 -6.432 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.632 -1.086 -8.745 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.484 -1.726 -7.586 1.00 0.00 H new ATOM 1484 N GLU B 42 -7.007 -2.673 -10.113 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.505 -3.594 -11.130 1.00 0.00 C ATOM 1486 C GLU B 42 -5.196 -4.226 -10.669 1.00 0.00 C ATOM 1487 O GLU B 42 -4.140 -3.590 -10.709 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.295 -2.869 -12.462 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.558 -2.235 -13.025 1.00 0.00 C ATOM 1490 CD GLU B 42 -7.988 -0.993 -12.267 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -7.234 -0.544 -11.379 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -9.075 -0.459 -12.573 1.00 0.00 O ATOM 0 H GLU B 42 -6.604 -1.737 -10.158 1.00 0.00 H new ATOM 0 HA GLU B 42 -7.247 -4.379 -11.276 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.540 -2.094 -12.328 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.899 -3.576 -13.191 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -7.393 -1.976 -14.071 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -8.366 -2.966 -13.001 1.00 0.00 H new ATOM 1499 N TRP B 43 -5.276 -5.468 -10.202 1.00 0.00 N ATOM 1500 CA TRP B 43 -4.104 -6.176 -9.698 1.00 0.00 C ATOM 1501 C TRP B 43 -3.462 -7.080 -10.746 1.00 0.00 C ATOM 1502 O TRP B 43 -4.059 -8.065 -11.181 1.00 0.00 O ATOM 1503 CB TRP B 43 -4.495 -7.023 -8.491 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.994 -6.222 -7.332 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -5.908 -5.211 -7.361 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.601 -6.373 -5.970 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -6.107 -4.721 -6.093 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -5.314 -5.419 -5.220 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.714 -7.224 -5.314 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -5.162 -5.297 -3.842 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.565 -7.103 -3.949 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.286 -6.146 -3.224 1.00 0.00 C ATOM 0 H TRP B 43 -6.142 -6.006 -10.162 1.00 0.00 H new ATOM 0 HA TRP B 43 -3.372 -5.417 -9.422 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -5.267 -7.732 -8.790 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -3.631 -7.607 -8.173 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -6.403 -4.849 -8.250 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -6.741 -3.962 -5.842 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -3.154 -7.965 -5.865 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.716 -4.559 -3.281 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -2.881 -7.757 -3.430 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.147 -6.077 -2.155 1.00 0.00 H new ATOM 1523 N THR B 44 -2.229 -6.757 -11.117 1.00 0.00 N ATOM 1524 CA THR B 44 -1.483 -7.557 -12.078 1.00 0.00 C ATOM 1525 C THR B 44 -0.348 -8.283 -11.361 1.00 0.00 C ATOM 1526 O THR B 44 0.311 -7.710 -10.494 1.00 0.00 O ATOM 1527 CB THR B 44 -0.929 -6.675 -13.200 1.00 0.00 C ATOM 1528 OG1 THR B 44 -0.096 -5.658 -12.674 1.00 0.00 O ATOM 1529 CG2 THR B 44 -2.008 -6.006 -14.023 1.00 0.00 C ATOM 0 H THR B 44 -1.724 -5.944 -10.765 1.00 0.00 H new ATOM 0 HA THR B 44 -2.153 -8.291 -12.526 1.00 0.00 H new ATOM 0 HB THR B 44 -0.367 -7.349 -13.847 1.00 0.00 H new ATOM 0 HG1 THR B 44 0.608 -6.063 -12.125 1.00 0.00 H new ATOM 0 HG21 THR B 44 -1.547 -5.396 -14.800 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.638 -6.767 -14.484 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.617 -5.373 -13.378 1.00 0.00 H new ATOM 1537 N TYR B 45 -0.131 -9.548 -11.706 1.00 0.00 N ATOM 1538 CA TYR B 45 0.916 -10.340 -11.064 1.00 0.00 C ATOM 1539 C TYR B 45 2.033 -10.684 -12.046 1.00 0.00 C ATOM 1540 O TYR B 45 1.780 -10.951 -13.221 1.00 0.00 O ATOM 1541 CB TYR B 45 0.314 -11.622 -10.479 1.00 0.00 C ATOM 1542 CG TYR B 45 1.285 -12.445 -9.659 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.286 -11.840 -8.910 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.192 -13.831 -9.633 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.168 -12.595 -8.159 1.00 0.00 C ATOM 1546 CE2 TYR B 45 2.071 -14.592 -8.885 1.00 0.00 C ATOM 1547 CZ TYR B 45 3.057 -13.968 -8.150 1.00 0.00 C ATOM 1548 OH TYR B 45 3.934 -14.721 -7.403 1.00 0.00 O ATOM 0 H TYR B 45 -0.661 -10.045 -12.421 1.00 0.00 H new ATOM 0 HA TYR B 45 1.349 -9.744 -10.261 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.539 -11.357 -9.854 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -0.067 -12.236 -11.295 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.377 -10.764 -8.914 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.420 -14.322 -10.207 1.00 0.00 H new ATOM 0 HE1 TYR B 45 3.941 -12.110 -7.582 1.00 0.00 H new ATOM 0 HE2 TYR B 45 1.986 -15.669 -8.876 1.00 0.00 H new ATOM 0 HH TYR B 45 3.760 -14.576 -6.450 1.00 0.00 H new ATOM 1558 N ASP B 46 3.269 -10.682 -11.553 1.00 0.00 N ATOM 1559 CA ASP B 46 4.428 -10.998 -12.381 1.00 0.00 C ATOM 1560 C ASP B 46 5.215 -12.161 -11.782 1.00 0.00 C ATOM 1561 O ASP B 46 6.190 -11.955 -11.059 1.00 0.00 O ATOM 1562 CB ASP B 46 5.333 -9.772 -12.525 1.00 0.00 C ATOM 1563 CG ASP B 46 6.540 -10.039 -13.402 1.00 0.00 C ATOM 1564 OD1 ASP B 46 6.675 -11.177 -13.901 1.00 0.00 O ATOM 1565 OD2 ASP B 46 7.354 -9.109 -13.589 1.00 0.00 O ATOM 0 H ASP B 46 3.493 -10.464 -10.582 1.00 0.00 H new ATOM 0 HA ASP B 46 4.072 -11.290 -13.369 1.00 0.00 H new ATOM 0 HB2 ASP B 46 4.758 -8.948 -12.946 1.00 0.00 H new ATOM 0 HB3 ASP B 46 5.669 -9.455 -11.538 1.00 0.00 H new ATOM 1570 N ASP B 47 4.785 -13.383 -12.084 1.00 0.00 N ATOM 1571 CA ASP B 47 5.447 -14.581 -11.573 1.00 0.00 C ATOM 1572 C ASP B 47 6.957 -14.515 -11.789 1.00 0.00 C ATOM 1573 O ASP B 47 7.735 -14.995 -10.964 1.00 0.00 O ATOM 1574 CB ASP B 47 4.885 -15.829 -12.259 1.00 0.00 C ATOM 1575 CG ASP B 47 3.382 -15.959 -12.094 1.00 0.00 C ATOM 1576 OD1 ASP B 47 2.772 -15.061 -11.479 1.00 0.00 O ATOM 1577 OD2 ASP B 47 2.817 -16.957 -12.586 1.00 0.00 O ATOM 0 H ASP B 47 3.980 -13.570 -12.681 1.00 0.00 H new ATOM 0 HA ASP B 47 5.254 -14.636 -10.502 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.129 -15.796 -13.321 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.370 -16.714 -11.848 1.00 0.00 H new ATOM 1582 N ALA B 48 7.362 -13.926 -12.909 1.00 0.00 N ATOM 1583 CA ALA B 48 8.775 -13.803 -13.250 1.00 0.00 C ATOM 1584 C ALA B 48 9.594 -13.222 -12.099 1.00 0.00 C ATOM 1585 O ALA B 48 10.747 -13.598 -11.898 1.00 0.00 O ATOM 1586 CB ALA B 48 8.940 -12.947 -14.497 1.00 0.00 C ATOM 0 H ALA B 48 6.728 -13.524 -13.600 1.00 0.00 H new ATOM 0 HA ALA B 48 9.154 -14.806 -13.446 1.00 0.00 H new ATOM 0 HB1 ALA B 48 9.999 -12.862 -14.742 1.00 0.00 H new ATOM 0 HB2 ALA B 48 8.411 -13.411 -15.329 1.00 0.00 H new ATOM 0 HB3 ALA B 48 8.529 -11.954 -14.314 1.00 0.00 H new ATOM 1592 N THR B 49 8.999 -12.297 -11.354 1.00 0.00 N ATOM 1593 CA THR B 49 9.693 -11.664 -10.234 1.00 0.00 C ATOM 1594 C THR B 49 8.943 -11.854 -8.917 1.00 0.00 C ATOM 1595 O THR B 49 9.244 -11.187 -7.926 1.00 0.00 O ATOM 1596 CB THR B 49 9.882 -10.173 -10.510 1.00 0.00 C ATOM 1597 OG1 THR B 49 8.631 -9.531 -10.682 1.00 0.00 O ATOM 1598 CG2 THR B 49 10.713 -9.891 -11.742 1.00 0.00 C ATOM 0 H THR B 49 8.045 -11.969 -11.502 1.00 0.00 H new ATOM 0 HA THR B 49 10.665 -12.147 -10.136 1.00 0.00 H new ATOM 0 HB THR B 49 10.410 -9.785 -9.639 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.447 -9.423 -11.639 1.00 0.00 H new ATOM 0 HG21 THR B 49 10.807 -8.814 -11.879 1.00 0.00 H new ATOM 0 HG22 THR B 49 11.704 -10.329 -11.621 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.228 -10.326 -12.616 1.00 0.00 H new ATOM 1606 N LYS B 50 7.966 -12.759 -8.901 1.00 0.00 N ATOM 1607 CA LYS B 50 7.192 -13.012 -7.685 1.00 0.00 C ATOM 1608 C LYS B 50 6.687 -11.701 -7.091 1.00 0.00 C ATOM 1609 O LYS B 50 6.615 -11.550 -5.869 1.00 0.00 O ATOM 1610 CB LYS B 50 8.067 -13.731 -6.653 1.00 0.00 C ATOM 1611 CG LYS B 50 8.403 -15.169 -7.013 1.00 0.00 C ATOM 1612 CD LYS B 50 7.233 -16.104 -6.749 1.00 0.00 C ATOM 1613 CE LYS B 50 6.814 -16.072 -5.288 1.00 0.00 C ATOM 1614 NZ LYS B 50 7.965 -16.321 -4.379 1.00 0.00 N ATOM 0 H LYS B 50 7.693 -13.324 -9.705 1.00 0.00 H new ATOM 0 HA LYS B 50 6.338 -13.638 -7.943 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.995 -13.173 -6.529 1.00 0.00 H new ATOM 0 HB3 LYS B 50 7.557 -13.719 -5.690 1.00 0.00 H new ATOM 0 HG2 LYS B 50 8.683 -15.225 -8.065 1.00 0.00 H new ATOM 0 HG3 LYS B 50 9.268 -15.496 -6.435 1.00 0.00 H new ATOM 0 HD2 LYS B 50 6.389 -15.819 -7.377 1.00 0.00 H new ATOM 0 HD3 LYS B 50 7.508 -17.121 -7.028 1.00 0.00 H new ATOM 0 HE2 LYS B 50 6.372 -15.103 -5.058 1.00 0.00 H new ATOM 0 HE3 LYS B 50 6.044 -16.823 -5.114 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 7.615 -16.494 -3.415 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 8.495 -17.153 -4.709 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 8.591 -15.491 -4.376 1.00 0.00 H new ATOM 1628 N THR B 51 6.366 -10.744 -7.955 1.00 0.00 N ATOM 1629 CA THR B 51 5.900 -9.441 -7.501 1.00 0.00 C ATOM 1630 C THR B 51 4.562 -9.060 -8.127 1.00 0.00 C ATOM 1631 O THR B 51 4.293 -9.362 -9.289 1.00 0.00 O ATOM 1632 CB THR B 51 6.952 -8.378 -7.830 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.180 -8.677 -7.192 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.552 -6.978 -7.418 1.00 0.00 C ATOM 0 H THR B 51 6.420 -10.846 -8.968 1.00 0.00 H new ATOM 0 HA THR B 51 5.751 -9.498 -6.423 1.00 0.00 H new ATOM 0 HB THR B 51 7.049 -8.401 -8.915 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.535 -9.520 -7.545 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.346 -6.280 -7.683 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.634 -6.696 -7.933 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.388 -6.949 -6.341 1.00 0.00 H new ATOM 1642 N PHE B 52 3.731 -8.380 -7.340 1.00 0.00 N ATOM 1643 CA PHE B 52 2.422 -7.932 -7.799 1.00 0.00 C ATOM 1644 C PHE B 52 2.412 -6.415 -7.961 1.00 0.00 C ATOM 1645 O PHE B 52 2.960 -5.696 -7.129 1.00 0.00 O ATOM 1646 CB PHE B 52 1.337 -8.340 -6.798 1.00 0.00 C ATOM 1647 CG PHE B 52 1.346 -9.799 -6.441 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.412 -10.348 -5.746 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.286 -10.619 -6.789 1.00 0.00 C ATOM 1650 CE1 PHE B 52 2.419 -11.687 -5.406 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.287 -11.960 -6.453 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.357 -12.495 -5.760 1.00 0.00 C ATOM 0 H PHE B 52 3.945 -8.127 -6.375 1.00 0.00 H new ATOM 0 HA PHE B 52 2.218 -8.401 -8.761 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.460 -7.754 -5.887 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.362 -8.085 -7.212 1.00 0.00 H new ATOM 0 HD1 PHE B 52 3.247 -9.722 -5.467 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.552 -10.206 -7.330 1.00 0.00 H new ATOM 0 HE1 PHE B 52 3.255 -12.102 -4.863 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.546 -12.588 -6.731 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.362 -13.542 -5.496 1.00 0.00 H new ATOM 1662 N THR B 53 1.779 -5.928 -9.022 1.00 0.00 N ATOM 1663 CA THR B 53 1.699 -4.490 -9.259 1.00 0.00 C ATOM 1664 C THR B 53 0.256 -4.003 -9.209 1.00 0.00 C ATOM 1665 O THR B 53 -0.601 -4.475 -9.956 1.00 0.00 O ATOM 1666 CB THR B 53 2.335 -4.115 -10.599 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.022 -5.071 -11.595 1.00 0.00 O ATOM 1668 CG2 THR B 53 3.841 -3.975 -10.534 1.00 0.00 C ATOM 0 H THR B 53 1.317 -6.502 -9.727 1.00 0.00 H new ATOM 0 HA THR B 53 2.257 -3.998 -8.462 1.00 0.00 H new ATOM 0 HB THR B 53 1.914 -3.142 -10.852 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.372 -4.690 -12.221 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.224 -3.708 -11.519 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.103 -3.195 -9.819 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.281 -4.921 -10.217 1.00 0.00 H new ATOM 1676 N VAL B 54 0.006 -3.042 -8.329 1.00 0.00 N ATOM 1677 CA VAL B 54 -1.321 -2.464 -8.178 1.00 0.00 C ATOM 1678 C VAL B 54 -1.351 -1.060 -8.765 1.00 0.00 C ATOM 1679 O VAL B 54 -0.705 -0.147 -8.246 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.752 -2.413 -6.695 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -3.151 -1.830 -6.561 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.686 -3.801 -6.076 1.00 0.00 C ATOM 0 H VAL B 54 0.710 -2.645 -7.706 1.00 0.00 H new ATOM 0 HA VAL B 54 -2.022 -3.102 -8.716 1.00 0.00 H new ATOM 0 HB VAL B 54 -1.062 -1.763 -6.158 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.435 -1.803 -5.509 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -3.164 -0.818 -6.966 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.858 -2.450 -7.112 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.992 -3.748 -5.031 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.353 -4.473 -6.617 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.665 -4.178 -6.136 1.00 0.00 H new ATOM 1692 N THR B 55 -2.092 -0.890 -9.853 1.00 0.00 N ATOM 1693 CA THR B 55 -2.185 0.409 -10.505 1.00 0.00 C ATOM 1694 C THR B 55 -3.492 1.103 -10.153 1.00 0.00 C ATOM 1695 O THR B 55 -4.568 0.656 -10.548 1.00 0.00 O ATOM 1696 CB THR B 55 -2.059 0.261 -12.022 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.936 -0.536 -12.354 1.00 0.00 O ATOM 1698 CG2 THR B 55 -1.898 1.587 -12.730 1.00 0.00 C ATOM 0 H THR B 55 -2.634 -1.630 -10.300 1.00 0.00 H new ATOM 0 HA THR B 55 -1.361 1.024 -10.144 1.00 0.00 H new ATOM 0 HB THR B 55 -2.987 -0.206 -12.351 1.00 0.00 H new ATOM 0 HG1 THR B 55 -0.872 -0.621 -13.328 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.813 1.418 -13.804 1.00 0.00 H new ATOM 0 HG22 THR B 55 -2.766 2.215 -12.529 1.00 0.00 H new ATOM 0 HG23 THR B 55 -0.998 2.085 -12.369 1.00 0.00 H new ATOM 1706 N GLU B 56 -3.395 2.197 -9.401 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.588 2.939 -8.994 1.00 0.00 C ATOM 1708 C GLU B 56 -4.999 3.937 -10.073 1.00 0.00 C ATOM 1709 O GLU B 56 -6.217 4.098 -10.295 1.00 0.00 O ATOM 1710 CB GLU B 56 -4.350 3.657 -7.658 1.00 0.00 C ATOM 1711 CG GLU B 56 -3.467 4.893 -7.757 1.00 0.00 C ATOM 1712 CD GLU B 56 -4.217 6.119 -8.245 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -5.449 6.028 -8.437 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -3.574 7.174 -8.425 1.00 0.00 O ATOM 1715 OXT GLU B 56 -4.098 4.550 -10.685 1.00 0.00 O ATOM 0 H GLU B 56 -2.515 2.587 -9.064 1.00 0.00 H new ATOM 0 HA GLU B 56 -5.402 2.226 -8.861 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -5.313 3.946 -7.238 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.895 2.956 -6.958 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -3.035 5.104 -6.779 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -2.638 4.687 -8.434 1.00 0.00 H new