USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 833 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 49 THR OG1 : rot -56:sc= 1.17 USER MOD Set 1.2: B 51 THR OG1 : rot 60:sc= 0.715 USER MOD Set 2.1: B 45 TYR OH : rot 180:sc= -1 USER MOD Set 2.2: B 50 LYS NZ :NH3+ -175:sc= -0.573 (180deg=-1.77) USER MOD Set 3.1: B 44 THR OG1 : rot 30:sc= 1.74 USER MOD Set 3.2: B 53 THR OG1 : rot 120:sc= 1.89 USER MOD Set 4.1: B 1 MET CE :methyl 169:sc= -6.35 (180deg=-4.19) USER MOD Set 4.2: B 3 TYR OH : rot 180:sc= -3.91 USER MOD Set 5.1: A 49 THR OG1 : rot -57:sc= 1.14 USER MOD Set 5.2: A 51 THR OG1 : rot 60:sc= 0.713 USER MOD Set 6.1: A 45 TYR OH : rot 180:sc= -0.966 USER MOD Set 6.2: A 50 LYS NZ :NH3+ -174:sc= -0.575 (180deg=-1.68) USER MOD Set 7.1: A 44 THR OG1 : rot 23:sc= 1.47 USER MOD Set 7.2: A 53 THR OG1 : rot 120:sc= 1.63 USER MOD Single : A 2 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= -2.54 USER MOD Single : A 4 LYS NZ :NH3+ 169:sc= -0.458 (180deg=-0.678) USER MOD Single : A 8 ASN : amide:sc= -0.325 K(o=-0.32,f=-2.2!) USER MOD Single : A 10 LYS NZ :NH3+ 155:sc= 1.1 (180deg=-0.156) USER MOD Single : A 11 THR OG1 : rot -139:sc= -2.4! USER MOD Single : A 13 LYS NZ :NH3+ 144:sc= 0.785 (180deg=-1.61) USER MOD Single : A 16 THR OG1 : rot 180:sc= -5.42! USER MOD Single : A 17 THR OG1 : rot 31:sc= 0.355 USER MOD Single : A 18 THR OG1 : rot 31:sc= 0.553 USER MOD Single : A 25 THR OG1 : rot -27:sc= -1.32! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 138:sc= -0.137! (180deg=-3.32!) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.14 F(o=-2.7!,f=-1.1) USER MOD Single : A 35 ASN : amide:sc= -3.49 K(o=-3.5,f=-4.4!) USER MOD Single : A 37 ASN :FLIP amide:sc= -3.68 F(o=-4.9!,f=-3.7) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ 132:sc= 1.13 (180deg=0.942) USER MOD Single : B 2 GLN :FLIP amide:sc= 0 F(o=-0.9!,f=0) USER MOD Single : B 4 LYS NZ :NH3+ 168:sc= -0.46 (180deg=-0.682) USER MOD Single : B 8 ASN : amide:sc= -0.305 K(o=-0.31,f=-2.4!) USER MOD Single : B 10 LYS NZ :NH3+ 158:sc= 1.12 (180deg=-0.181) USER MOD Single : B 11 THR OG1 : rot -140:sc= -2.43! USER MOD Single : B 13 LYS NZ :NH3+ 139:sc= 0.787 (180deg=-1.67) USER MOD Single : B 16 THR OG1 : rot 150:sc= -5.5! USER MOD Single : B 17 THR OG1 : rot 32:sc= 0.358 USER MOD Single : B 18 THR OG1 : rot 31:sc= 0.556 USER MOD Single : B 25 THR OG1 : rot -27:sc= -1.17! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 136:sc= -0.0741! (180deg=-3.14!) USER MOD Single : B 32 GLN :FLIP amide:sc= -1.19 F(o=-2.8!,f=-1.2) USER MOD Single : B 35 ASN : amide:sc= -3.46 K(o=-3.5,f=-4.2!) USER MOD Single : B 37 ASN :FLIP amide:sc= -3.7 F(o=-4.9!,f=-3.7) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 7.086 -15.949 0.906 1.00 0.00 N ATOM 21 CA GLN A 2 7.056 -14.500 1.048 1.00 0.00 C ATOM 22 C GLN A 2 6.899 -13.845 -0.318 1.00 0.00 C ATOM 23 O GLN A 2 7.535 -14.255 -1.288 1.00 0.00 O ATOM 24 CB GLN A 2 8.335 -14.000 1.725 1.00 0.00 C ATOM 25 CG GLN A 2 8.375 -12.490 1.909 1.00 0.00 C ATOM 26 CD GLN A 2 9.645 -11.992 2.589 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.553 -12.901 2.938 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 9.809 -10.789 2.798 1.00 0.00 N flip ATOM 0 HA GLN A 2 6.204 -14.230 1.673 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.432 -14.479 2.699 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.195 -14.308 1.131 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.283 -12.011 0.934 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.512 -12.181 2.499 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.092 -10.120 2.517 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.662 -10.462 3.252 1.00 0.00 H new ATOM 37 N TYR A 3 6.045 -12.831 -0.395 1.00 0.00 N ATOM 38 CA TYR A 3 5.810 -12.136 -1.653 1.00 0.00 C ATOM 39 C TYR A 3 5.995 -10.634 -1.490 1.00 0.00 C ATOM 40 O TYR A 3 5.648 -10.062 -0.457 1.00 0.00 O ATOM 41 CB TYR A 3 4.404 -12.441 -2.167 1.00 0.00 C ATOM 42 CG TYR A 3 4.153 -13.915 -2.395 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.019 -14.789 -1.324 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.052 -14.431 -3.680 1.00 0.00 C ATOM 45 CE1 TYR A 3 3.791 -16.137 -1.527 1.00 0.00 C ATOM 46 CE2 TYR A 3 3.824 -15.777 -3.891 1.00 0.00 C ATOM 47 CZ TYR A 3 3.695 -16.627 -2.813 1.00 0.00 C ATOM 48 OH TYR A 3 3.464 -17.966 -3.020 1.00 0.00 O ATOM 0 H TYR A 3 5.507 -12.474 0.395 1.00 0.00 H new ATOM 0 HA TYR A 3 6.540 -12.491 -2.380 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.674 -12.062 -1.452 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.243 -11.904 -3.102 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.094 -14.409 -0.316 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.153 -13.770 -4.528 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.689 -16.803 -0.683 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.747 -16.162 -4.897 1.00 0.00 H new ATOM 0 HH TYR A 3 3.423 -18.146 -3.982 1.00 0.00 H new ATOM 58 N LYS A 4 6.543 -10.001 -2.520 1.00 0.00 N ATOM 59 CA LYS A 4 6.774 -8.564 -2.500 1.00 0.00 C ATOM 60 C LYS A 4 5.809 -7.858 -3.442 1.00 0.00 C ATOM 61 O LYS A 4 5.919 -7.981 -4.659 1.00 0.00 O ATOM 62 CB LYS A 4 8.217 -8.254 -2.899 1.00 0.00 C ATOM 63 CG LYS A 4 8.571 -6.780 -2.811 1.00 0.00 C ATOM 64 CD LYS A 4 10.015 -6.529 -3.215 1.00 0.00 C ATOM 65 CE LYS A 4 10.383 -5.061 -3.084 1.00 0.00 C ATOM 66 NZ LYS A 4 10.248 -4.579 -1.681 1.00 0.00 N ATOM 0 H LYS A 4 6.836 -10.463 -3.381 1.00 0.00 H new ATOM 0 HA LYS A 4 6.603 -8.200 -1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.892 -8.820 -2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.385 -8.599 -3.919 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.906 -6.206 -3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.410 -6.426 -1.793 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.678 -7.128 -2.591 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.167 -6.853 -4.245 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.408 -4.912 -3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.743 -4.466 -3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.680 -3.637 -1.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.241 -4.522 -1.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.729 -5.241 -1.039 1.00 0.00 H new ATOM 80 N VAL A 5 4.862 -7.123 -2.877 1.00 0.00 N ATOM 81 CA VAL A 5 3.881 -6.409 -3.678 1.00 0.00 C ATOM 82 C VAL A 5 4.313 -4.968 -3.919 1.00 0.00 C ATOM 83 O VAL A 5 4.796 -4.291 -3.014 1.00 0.00 O ATOM 84 CB VAL A 5 2.492 -6.424 -3.005 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.458 -5.705 -3.863 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.054 -7.855 -2.725 1.00 0.00 C ATOM 0 H VAL A 5 4.753 -7.006 -1.870 1.00 0.00 H new ATOM 0 HA VAL A 5 3.813 -6.924 -4.636 1.00 0.00 H new ATOM 0 HB VAL A 5 2.569 -5.891 -2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.489 -5.731 -3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.763 -4.669 -4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.381 -6.200 -4.831 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.073 -7.849 -2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.000 -8.409 -3.662 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.775 -8.333 -2.062 1.00 0.00 H new ATOM 96 N ILE A 6 4.127 -4.504 -5.148 1.00 0.00 N ATOM 97 CA ILE A 6 4.484 -3.143 -5.513 1.00 0.00 C ATOM 98 C ILE A 6 3.230 -2.312 -5.737 1.00 0.00 C ATOM 99 O ILE A 6 2.355 -2.684 -6.518 1.00 0.00 O ATOM 100 CB ILE A 6 5.367 -3.102 -6.779 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.710 -3.778 -6.500 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.582 -1.668 -7.244 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.603 -3.875 -7.718 1.00 0.00 C ATOM 0 H ILE A 6 3.730 -5.054 -5.910 1.00 0.00 H new ATOM 0 HA ILE A 6 5.059 -2.724 -4.687 1.00 0.00 H new ATOM 0 HB ILE A 6 4.856 -3.643 -7.575 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.232 -3.223 -5.720 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.529 -4.780 -6.111 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.207 -1.665 -8.137 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.619 -1.212 -7.473 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.074 -1.100 -6.455 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.538 -4.365 -7.446 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.101 -4.456 -8.492 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.814 -2.874 -8.095 1.00 0.00 H new ATOM 115 N LEU A 7 3.145 -1.191 -5.039 1.00 0.00 N ATOM 116 CA LEU A 7 1.997 -0.310 -5.154 1.00 0.00 C ATOM 117 C LEU A 7 2.350 0.887 -6.031 1.00 0.00 C ATOM 118 O LEU A 7 2.711 1.954 -5.536 1.00 0.00 O ATOM 119 CB LEU A 7 1.549 0.141 -3.761 1.00 0.00 C ATOM 120 CG LEU A 7 1.602 -0.953 -2.696 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.013 -0.447 -1.387 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.874 -2.198 -3.180 1.00 0.00 C ATOM 0 H LEU A 7 3.860 -0.870 -4.386 1.00 0.00 H new ATOM 0 HA LEU A 7 1.171 -0.845 -5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.178 0.972 -3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.529 0.519 -3.826 1.00 0.00 H new ATOM 0 HG LEU A 7 2.644 -1.219 -2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.058 -1.238 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.584 0.414 -1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.025 -0.155 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.920 -2.969 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.168 -1.953 -3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.347 -2.565 -4.090 1.00 0.00 H new ATOM 134 N ASN A 8 2.269 0.682 -7.343 1.00 0.00 N ATOM 135 CA ASN A 8 2.606 1.717 -8.313 1.00 0.00 C ATOM 136 C ASN A 8 1.385 2.543 -8.703 1.00 0.00 C ATOM 137 O ASN A 8 0.498 2.066 -9.406 1.00 0.00 O ATOM 138 CB ASN A 8 3.205 1.062 -9.559 1.00 0.00 C ATOM 139 CG ASN A 8 3.824 2.060 -10.512 1.00 0.00 C ATOM 140 OD1 ASN A 8 3.178 3.020 -10.934 1.00 0.00 O ATOM 141 ND2 ASN A 8 5.082 1.825 -10.871 1.00 0.00 N ATOM 0 H ASN A 8 1.970 -0.200 -7.760 1.00 0.00 H new ATOM 0 HA ASN A 8 3.330 2.391 -7.855 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.963 0.340 -9.254 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.426 0.505 -10.080 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.552 2.453 -11.523 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.577 1.016 -10.495 1.00 0.00 H new ATOM 148 N GLY A 9 1.347 3.791 -8.252 1.00 0.00 N ATOM 149 CA GLY A 9 0.232 4.660 -8.582 1.00 0.00 C ATOM 150 C GLY A 9 0.664 5.855 -9.400 1.00 0.00 C ATOM 151 O GLY A 9 1.800 5.914 -9.871 1.00 0.00 O ATOM 0 H GLY A 9 2.065 4.216 -7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.517 4.094 -9.136 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.244 5.003 -7.663 1.00 0.00 H new ATOM 155 N LYS A 10 -0.236 6.816 -9.564 1.00 0.00 N ATOM 156 CA LYS A 10 0.074 8.018 -10.322 1.00 0.00 C ATOM 157 C LYS A 10 0.853 9.003 -9.457 1.00 0.00 C ATOM 158 O LYS A 10 1.923 9.474 -9.842 1.00 0.00 O ATOM 159 CB LYS A 10 -1.207 8.673 -10.843 1.00 0.00 C ATOM 160 CG LYS A 10 -1.929 7.850 -11.899 1.00 0.00 C ATOM 161 CD LYS A 10 -3.176 8.561 -12.401 1.00 0.00 C ATOM 162 CE LYS A 10 -3.830 7.803 -13.547 1.00 0.00 C ATOM 163 NZ LYS A 10 -4.249 6.430 -13.146 1.00 0.00 N ATOM 0 H LYS A 10 -1.182 6.786 -9.184 1.00 0.00 H new ATOM 0 HA LYS A 10 0.690 7.735 -11.176 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.883 8.846 -10.005 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.961 9.649 -11.261 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.257 7.658 -12.735 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.204 6.881 -11.482 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.888 8.670 -11.583 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.914 9.566 -12.731 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.699 8.358 -13.899 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.133 7.739 -14.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.027 6.112 -13.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.444 5.779 -13.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.568 6.440 -12.156 1.00 0.00 H new ATOM 177 N THR A 11 0.300 9.314 -8.291 1.00 0.00 N ATOM 178 CA THR A 11 0.921 10.241 -7.362 1.00 0.00 C ATOM 179 C THR A 11 1.545 9.501 -6.186 1.00 0.00 C ATOM 180 O THR A 11 2.090 10.121 -5.272 1.00 0.00 O ATOM 181 CB THR A 11 -0.128 11.223 -6.845 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.299 10.533 -6.446 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.533 12.268 -7.861 1.00 0.00 C ATOM 0 H THR A 11 -0.588 8.931 -7.967 1.00 0.00 H new ATOM 0 HA THR A 11 1.709 10.779 -7.888 1.00 0.00 H new ATOM 0 HB THR A 11 0.343 11.731 -6.003 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.089 11.036 -6.734 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.280 12.930 -7.424 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.341 12.850 -8.153 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.952 11.778 -8.740 1.00 0.00 H new ATOM 191 N LEU A 12 1.450 8.175 -6.201 1.00 0.00 N ATOM 192 CA LEU A 12 1.993 7.374 -5.119 1.00 0.00 C ATOM 193 C LEU A 12 2.710 6.131 -5.642 1.00 0.00 C ATOM 194 O LEU A 12 2.224 5.451 -6.544 1.00 0.00 O ATOM 195 CB LEU A 12 0.870 6.981 -4.156 1.00 0.00 C ATOM 196 CG LEU A 12 1.305 6.145 -2.961 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.502 6.791 -2.290 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.157 5.979 -1.976 1.00 0.00 C ATOM 0 H LEU A 12 1.005 7.639 -6.946 1.00 0.00 H new ATOM 0 HA LEU A 12 2.732 7.974 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.393 7.890 -3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.114 6.426 -4.712 1.00 0.00 H new ATOM 0 HG LEU A 12 1.592 5.153 -3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.809 6.188 -1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.325 6.858 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.233 7.791 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.488 5.378 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.164 6.959 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.677 5.481 -2.470 1.00 0.00 H new ATOM 210 N LYS A 13 3.866 5.842 -5.050 1.00 0.00 N ATOM 211 CA LYS A 13 4.663 4.677 -5.427 1.00 0.00 C ATOM 212 C LYS A 13 5.302 4.060 -4.186 1.00 0.00 C ATOM 213 O LYS A 13 5.685 4.777 -3.264 1.00 0.00 O ATOM 214 CB LYS A 13 5.765 5.055 -6.422 1.00 0.00 C ATOM 215 CG LYS A 13 5.289 5.877 -7.606 1.00 0.00 C ATOM 216 CD LYS A 13 5.185 7.351 -7.259 1.00 0.00 C ATOM 217 CE LYS A 13 4.956 8.200 -8.498 1.00 0.00 C ATOM 218 NZ LYS A 13 3.752 7.762 -9.255 1.00 0.00 N ATOM 0 H LYS A 13 4.274 6.403 -4.302 1.00 0.00 H new ATOM 0 HA LYS A 13 3.996 3.957 -5.902 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.537 5.615 -5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.231 4.142 -6.793 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.978 5.747 -8.440 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.317 5.511 -7.936 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.366 7.503 -6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.098 7.674 -6.759 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.842 9.244 -8.207 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.832 8.143 -9.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.274 8.593 -9.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.038 7.121 -10.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.101 7.265 -8.614 1.00 0.00 H new ATOM 232 N GLY A 14 5.422 2.736 -4.163 1.00 0.00 N ATOM 233 CA GLY A 14 6.020 2.084 -3.014 1.00 0.00 C ATOM 234 C GLY A 14 6.232 0.596 -3.206 1.00 0.00 C ATOM 235 O GLY A 14 5.963 0.051 -4.278 1.00 0.00 O ATOM 0 H GLY A 14 5.120 2.110 -4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.979 2.555 -2.797 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.383 2.243 -2.144 1.00 0.00 H new ATOM 239 N GLU A 15 6.717 -0.058 -2.156 1.00 0.00 N ATOM 240 CA GLU A 15 6.973 -1.492 -2.186 1.00 0.00 C ATOM 241 C GLU A 15 6.578 -2.127 -0.858 1.00 0.00 C ATOM 242 O GLU A 15 6.878 -1.593 0.211 1.00 0.00 O ATOM 243 CB GLU A 15 8.449 -1.759 -2.483 1.00 0.00 C ATOM 244 CG GLU A 15 8.913 -1.167 -3.805 1.00 0.00 C ATOM 245 CD GLU A 15 10.390 -1.395 -4.062 1.00 0.00 C ATOM 246 OE1 GLU A 15 10.807 -2.570 -4.131 1.00 0.00 O ATOM 247 OE2 GLU A 15 11.131 -0.397 -4.194 1.00 0.00 O ATOM 0 H GLU A 15 6.942 0.388 -1.267 1.00 0.00 H new ATOM 0 HA GLU A 15 6.371 -1.938 -2.978 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.055 -1.348 -1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.621 -2.835 -2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.335 -1.606 -4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.708 -0.096 -3.811 1.00 0.00 H new ATOM 254 N THR A 16 5.892 -3.260 -0.930 1.00 0.00 N ATOM 255 CA THR A 16 5.438 -3.960 0.263 1.00 0.00 C ATOM 256 C THR A 16 5.656 -5.468 0.140 1.00 0.00 C ATOM 257 O THR A 16 5.950 -5.970 -0.943 1.00 0.00 O ATOM 258 CB THR A 16 3.963 -3.639 0.519 1.00 0.00 C ATOM 259 OG1 THR A 16 3.381 -4.614 1.345 1.00 0.00 O ATOM 260 CG2 THR A 16 3.133 -3.546 -0.744 1.00 0.00 C ATOM 0 H THR A 16 5.637 -3.715 -1.807 1.00 0.00 H new ATOM 0 HA THR A 16 6.028 -3.617 1.113 1.00 0.00 H new ATOM 0 HB THR A 16 3.962 -2.660 0.999 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.439 -4.392 1.499 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.100 -3.316 -0.484 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.530 -2.758 -1.383 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.171 -4.497 -1.275 1.00 0.00 H new ATOM 268 N THR A 17 5.534 -6.182 1.259 1.00 0.00 N ATOM 269 CA THR A 17 5.740 -7.631 1.262 1.00 0.00 C ATOM 270 C THR A 17 4.793 -8.362 2.219 1.00 0.00 C ATOM 271 O THR A 17 4.816 -8.134 3.429 1.00 0.00 O ATOM 272 CB THR A 17 7.186 -7.951 1.635 1.00 0.00 C ATOM 273 OG1 THR A 17 7.522 -7.372 2.883 1.00 0.00 O ATOM 274 CG2 THR A 17 8.190 -7.462 0.614 1.00 0.00 C ATOM 0 H THR A 17 5.296 -5.785 2.168 1.00 0.00 H new ATOM 0 HA THR A 17 5.522 -7.984 0.254 1.00 0.00 H new ATOM 0 HB THR A 17 7.239 -9.039 1.679 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.725 -7.336 3.452 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.197 -7.722 0.940 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.988 -7.932 -0.349 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.109 -6.380 0.514 1.00 0.00 H new ATOM 282 N THR A 18 3.978 -9.257 1.663 1.00 0.00 N ATOM 283 CA THR A 18 3.033 -10.051 2.450 1.00 0.00 C ATOM 284 C THR A 18 3.505 -11.504 2.522 1.00 0.00 C ATOM 285 O THR A 18 4.096 -12.019 1.573 1.00 0.00 O ATOM 286 CB THR A 18 1.635 -9.990 1.826 1.00 0.00 C ATOM 287 OG1 THR A 18 0.689 -10.611 2.675 1.00 0.00 O ATOM 288 CG2 THR A 18 1.549 -10.659 0.472 1.00 0.00 C ATOM 0 H THR A 18 3.953 -9.452 0.662 1.00 0.00 H new ATOM 0 HA THR A 18 2.986 -9.638 3.458 1.00 0.00 H new ATOM 0 HB THR A 18 1.420 -8.929 1.697 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.965 -10.500 3.609 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.531 -10.578 0.090 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.236 -10.171 -0.219 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.817 -11.711 0.568 1.00 0.00 H new ATOM 296 N GLU A 19 3.242 -12.160 3.645 1.00 0.00 N ATOM 297 CA GLU A 19 3.643 -13.553 3.829 1.00 0.00 C ATOM 298 C GLU A 19 2.432 -14.479 3.740 1.00 0.00 C ATOM 299 O GLU A 19 1.515 -14.388 4.557 1.00 0.00 O ATOM 300 CB GLU A 19 4.338 -13.725 5.180 1.00 0.00 C ATOM 301 CG GLU A 19 4.771 -15.153 5.474 1.00 0.00 C ATOM 302 CD GLU A 19 5.769 -15.680 4.460 1.00 0.00 C ATOM 303 OE1 GLU A 19 6.850 -15.072 4.317 1.00 0.00 O ATOM 304 OE2 GLU A 19 5.469 -16.705 3.812 1.00 0.00 O ATOM 0 H GLU A 19 2.754 -11.752 4.442 1.00 0.00 H new ATOM 0 HA GLU A 19 4.340 -13.819 3.034 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.214 -13.077 5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.664 -13.390 5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.212 -15.197 6.470 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.894 -15.800 5.485 1.00 0.00 H new ATOM 311 N ALA A 20 2.425 -15.364 2.746 1.00 0.00 N ATOM 312 CA ALA A 20 1.314 -16.292 2.566 1.00 0.00 C ATOM 313 C ALA A 20 1.773 -17.621 1.968 1.00 0.00 C ATOM 314 O ALA A 20 2.760 -17.683 1.237 1.00 0.00 O ATOM 315 CB ALA A 20 0.243 -15.661 1.690 1.00 0.00 C ATOM 0 H ALA A 20 3.172 -15.457 2.057 1.00 0.00 H new ATOM 0 HA ALA A 20 0.897 -16.503 3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.582 -16.362 1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.125 -14.751 2.164 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.667 -15.417 0.716 1.00 0.00 H new ATOM 321 N VAL A 21 1.050 -18.684 2.312 1.00 0.00 N ATOM 322 CA VAL A 21 1.370 -20.033 1.847 1.00 0.00 C ATOM 323 C VAL A 21 1.555 -20.089 0.330 1.00 0.00 C ATOM 324 O VAL A 21 2.282 -20.940 -0.182 1.00 0.00 O ATOM 325 CB VAL A 21 0.264 -21.029 2.246 1.00 0.00 C ATOM 326 CG1 VAL A 21 0.680 -22.455 1.920 1.00 0.00 C ATOM 327 CG2 VAL A 21 -0.080 -20.883 3.721 1.00 0.00 C ATOM 0 H VAL A 21 0.230 -18.636 2.917 1.00 0.00 H new ATOM 0 HA VAL A 21 2.310 -20.309 2.325 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.630 -20.801 1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.116 -23.141 2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.864 -22.545 0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.590 -22.703 2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.863 -21.594 3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.807 -21.080 4.323 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.431 -19.869 3.914 1.00 0.00 H new ATOM 337 N ASP A 22 0.900 -19.179 -0.383 1.00 0.00 N ATOM 338 CA ASP A 22 1.013 -19.137 -1.838 1.00 0.00 C ATOM 339 C ASP A 22 0.749 -17.735 -2.374 1.00 0.00 C ATOM 340 O ASP A 22 0.407 -16.826 -1.618 1.00 0.00 O ATOM 341 CB ASP A 22 0.057 -20.147 -2.481 1.00 0.00 C ATOM 342 CG ASP A 22 -1.399 -19.808 -2.244 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.853 -18.763 -2.751 1.00 0.00 O ATOM 344 OD2 ASP A 22 -2.086 -20.590 -1.555 1.00 0.00 O ATOM 0 H ASP A 22 0.290 -18.466 0.018 1.00 0.00 H new ATOM 0 HA ASP A 22 2.035 -19.408 -2.101 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.246 -20.188 -3.554 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.264 -21.141 -2.083 1.00 0.00 H new ATOM 349 N ALA A 23 0.918 -17.564 -3.681 1.00 0.00 N ATOM 350 CA ALA A 23 0.705 -16.267 -4.313 1.00 0.00 C ATOM 351 C ALA A 23 -0.723 -15.784 -4.120 1.00 0.00 C ATOM 352 O ALA A 23 -0.953 -14.612 -3.821 1.00 0.00 O ATOM 353 CB ALA A 23 1.050 -16.336 -5.792 1.00 0.00 C ATOM 0 H ALA A 23 1.201 -18.305 -4.322 1.00 0.00 H new ATOM 0 HA ALA A 23 1.366 -15.547 -3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.886 -15.360 -6.250 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.096 -16.620 -5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.416 -17.077 -6.279 1.00 0.00 H new ATOM 359 N ALA A 24 -1.679 -16.687 -4.281 1.00 0.00 N ATOM 360 CA ALA A 24 -3.081 -16.333 -4.111 1.00 0.00 C ATOM 361 C ALA A 24 -3.332 -15.892 -2.680 1.00 0.00 C ATOM 362 O ALA A 24 -3.805 -14.785 -2.441 1.00 0.00 O ATOM 363 CB ALA A 24 -3.981 -17.501 -4.485 1.00 0.00 C ATOM 0 H ALA A 24 -1.512 -17.663 -4.527 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.318 -15.504 -4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.024 -17.214 -4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.811 -17.772 -5.527 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.754 -18.354 -3.846 1.00 0.00 H new ATOM 369 N THR A 25 -2.979 -16.748 -1.724 1.00 0.00 N ATOM 370 CA THR A 25 -3.138 -16.416 -0.322 1.00 0.00 C ATOM 371 C THR A 25 -2.514 -15.057 -0.059 1.00 0.00 C ATOM 372 O THR A 25 -3.119 -14.193 0.574 1.00 0.00 O ATOM 373 CB THR A 25 -2.479 -17.485 0.548 1.00 0.00 C ATOM 374 OG1 THR A 25 -1.118 -17.648 0.198 1.00 0.00 O ATOM 375 CG2 THR A 25 -3.147 -18.840 0.446 1.00 0.00 C ATOM 0 H THR A 25 -2.583 -17.671 -1.900 1.00 0.00 H new ATOM 0 HA THR A 25 -4.198 -16.378 -0.072 1.00 0.00 H new ATOM 0 HB THR A 25 -2.583 -17.126 1.572 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.990 -17.403 -0.742 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.628 -19.551 1.089 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.187 -18.758 0.761 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.107 -19.188 -0.586 1.00 0.00 H new ATOM 383 N ALA A 26 -1.310 -14.860 -0.593 1.00 0.00 N ATOM 384 CA ALA A 26 -0.621 -13.590 -0.455 1.00 0.00 C ATOM 385 C ALA A 26 -1.466 -12.490 -1.077 1.00 0.00 C ATOM 386 O ALA A 26 -1.794 -11.497 -0.428 1.00 0.00 O ATOM 387 CB ALA A 26 0.752 -13.652 -1.110 1.00 0.00 C ATOM 0 H ALA A 26 -0.797 -15.565 -1.123 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.475 -13.372 0.603 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.253 -12.691 -0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.348 -14.430 -0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.639 -13.879 -2.170 1.00 0.00 H new ATOM 393 N GLU A 27 -1.837 -12.685 -2.345 1.00 0.00 N ATOM 394 CA GLU A 27 -2.665 -11.725 -3.059 1.00 0.00 C ATOM 395 C GLU A 27 -3.926 -11.414 -2.260 1.00 0.00 C ATOM 396 O GLU A 27 -4.293 -10.253 -2.087 1.00 0.00 O ATOM 397 CB GLU A 27 -3.032 -12.272 -4.441 1.00 0.00 C ATOM 398 CG GLU A 27 -3.753 -11.275 -5.333 1.00 0.00 C ATOM 399 CD GLU A 27 -5.183 -11.032 -4.903 1.00 0.00 C ATOM 400 OE1 GLU A 27 -5.961 -12.006 -4.844 1.00 0.00 O ATOM 401 OE2 GLU A 27 -5.525 -9.867 -4.634 1.00 0.00 O ATOM 0 H GLU A 27 -1.573 -13.503 -2.895 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.100 -10.802 -3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.122 -12.600 -4.943 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.662 -13.153 -4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.211 -10.330 -5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.744 -11.640 -6.360 1.00 0.00 H new ATOM 408 N LYS A 28 -4.574 -12.464 -1.758 1.00 0.00 N ATOM 409 CA LYS A 28 -5.782 -12.306 -0.960 1.00 0.00 C ATOM 410 C LYS A 28 -5.478 -11.521 0.307 1.00 0.00 C ATOM 411 O LYS A 28 -6.223 -10.617 0.683 1.00 0.00 O ATOM 412 CB LYS A 28 -6.371 -13.673 -0.602 1.00 0.00 C ATOM 413 CG LYS A 28 -6.827 -14.475 -1.808 1.00 0.00 C ATOM 414 CD LYS A 28 -7.870 -13.720 -2.612 1.00 0.00 C ATOM 415 CE LYS A 28 -8.329 -14.518 -3.822 1.00 0.00 C ATOM 416 NZ LYS A 28 -9.358 -13.789 -4.615 1.00 0.00 N ATOM 0 H LYS A 28 -4.280 -13.432 -1.891 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.514 -11.755 -1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.624 -14.249 -0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.218 -13.530 0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.970 -14.701 -2.442 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.239 -15.428 -1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.727 -13.495 -1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.457 -12.766 -2.940 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.471 -14.738 -4.457 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.736 -15.474 -3.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.643 -14.369 -5.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.188 -13.601 -4.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.963 -12.888 -4.952 1.00 0.00 H new ATOM 430 N VAL A 29 -4.366 -11.863 0.953 1.00 0.00 N ATOM 431 CA VAL A 29 -3.956 -11.174 2.168 1.00 0.00 C ATOM 432 C VAL A 29 -3.765 -9.692 1.890 1.00 0.00 C ATOM 433 O VAL A 29 -4.140 -8.843 2.699 1.00 0.00 O ATOM 434 CB VAL A 29 -2.655 -11.766 2.746 1.00 0.00 C ATOM 435 CG1 VAL A 29 -2.200 -10.983 3.968 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.844 -13.237 3.094 1.00 0.00 C ATOM 0 H VAL A 29 -3.737 -12.609 0.655 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.746 -11.309 2.906 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.879 -11.688 1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.280 -11.419 4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.019 -9.945 3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.974 -11.023 4.734 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.915 -13.637 3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.637 -13.337 3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.115 -13.791 2.196 1.00 0.00 H new ATOM 446 N VAL A 30 -3.207 -9.386 0.726 1.00 0.00 N ATOM 447 CA VAL A 30 -3.002 -8.003 0.332 1.00 0.00 C ATOM 448 C VAL A 30 -4.359 -7.325 0.182 1.00 0.00 C ATOM 449 O VAL A 30 -4.581 -6.235 0.706 1.00 0.00 O ATOM 450 CB VAL A 30 -2.225 -7.894 -0.992 1.00 0.00 C ATOM 451 CG1 VAL A 30 -1.915 -6.439 -1.308 1.00 0.00 C ATOM 452 CG2 VAL A 30 -0.948 -8.719 -0.933 1.00 0.00 C ATOM 0 H VAL A 30 -2.891 -10.074 0.043 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.410 -7.512 1.105 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.848 -8.292 -1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.365 -6.380 -2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.846 -5.880 -1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.311 -6.013 -0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.413 -8.629 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.317 -8.355 -0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.198 -9.765 -0.756 1.00 0.00 H new ATOM 462 N LYS A 31 -5.280 -7.990 -0.523 1.00 0.00 N ATOM 463 CA LYS A 31 -6.625 -7.451 -0.713 1.00 0.00 C ATOM 464 C LYS A 31 -7.180 -6.970 0.616 1.00 0.00 C ATOM 465 O LYS A 31 -7.661 -5.845 0.736 1.00 0.00 O ATOM 466 CB LYS A 31 -7.569 -8.509 -1.292 1.00 0.00 C ATOM 467 CG LYS A 31 -7.186 -8.987 -2.678 1.00 0.00 C ATOM 468 CD LYS A 31 -7.083 -7.834 -3.660 1.00 0.00 C ATOM 469 CE LYS A 31 -8.413 -7.115 -3.824 1.00 0.00 C ATOM 470 NZ LYS A 31 -8.322 -5.998 -4.804 1.00 0.00 N ATOM 0 H LYS A 31 -5.118 -8.894 -0.967 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.556 -6.620 -1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.595 -9.365 -0.618 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.579 -8.100 -1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.232 -9.512 -2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.927 -9.703 -3.034 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.328 -7.128 -3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.750 -8.209 -4.628 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.172 -7.825 -4.152 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.737 -6.726 -2.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.168 -5.997 -5.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.260 -5.093 -4.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.475 -6.122 -5.394 1.00 0.00 H new ATOM 484 N GLN A 32 -7.092 -7.839 1.616 1.00 0.00 N ATOM 485 CA GLN A 32 -7.569 -7.518 2.952 1.00 0.00 C ATOM 486 C GLN A 32 -6.829 -6.295 3.480 1.00 0.00 C ATOM 487 O GLN A 32 -7.411 -5.433 4.139 1.00 0.00 O ATOM 488 CB GLN A 32 -7.369 -8.714 3.886 1.00 0.00 C ATOM 489 CG GLN A 32 -8.092 -8.576 5.216 1.00 0.00 C ATOM 490 CD GLN A 32 -9.609 -8.493 5.079 1.00 0.00 C ATOM 491 OE1 GLN A 32 -10.135 -8.746 3.879 1.00 0.00 O flip ATOM 492 NE2 GLN A 32 -10.308 -8.224 6.056 1.00 0.00 N flip ATOM 0 H GLN A 32 -6.693 -8.773 1.525 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.635 -7.293 2.909 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.717 -9.617 3.385 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.303 -8.844 4.073 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.838 -9.427 5.848 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.732 -7.682 5.725 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.872 -8.036 6.959 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.323 -8.189 5.963 1.00 0.00 H new ATOM 501 N PHE A 33 -5.542 -6.227 3.162 1.00 0.00 N ATOM 502 CA PHE A 33 -4.696 -5.113 3.572 1.00 0.00 C ATOM 503 C PHE A 33 -5.329 -3.787 3.145 1.00 0.00 C ATOM 504 O PHE A 33 -5.718 -2.969 3.978 1.00 0.00 O ATOM 505 CB PHE A 33 -3.310 -5.280 2.935 1.00 0.00 C ATOM 506 CG PHE A 33 -2.256 -4.374 3.492 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.773 -4.569 4.776 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.741 -3.333 2.732 1.00 0.00 C ATOM 509 CE1 PHE A 33 -0.796 -3.741 5.292 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.764 -2.505 3.246 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.293 -2.709 4.528 1.00 0.00 C ATOM 0 H PHE A 33 -5.057 -6.939 2.615 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.595 -5.106 4.657 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.988 -6.313 3.063 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.393 -5.103 1.863 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.164 -5.376 5.378 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.108 -3.170 1.730 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.426 -3.902 6.294 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.368 -1.699 2.646 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.470 -2.060 4.932 1.00 0.00 H new ATOM 521 N PHE A 34 -5.440 -3.605 1.835 1.00 0.00 N ATOM 522 CA PHE A 34 -6.035 -2.398 1.266 1.00 0.00 C ATOM 523 C PHE A 34 -7.520 -2.334 1.580 1.00 0.00 C ATOM 524 O PHE A 34 -8.055 -1.271 1.894 1.00 0.00 O ATOM 525 CB PHE A 34 -5.780 -2.358 -0.234 1.00 0.00 C ATOM 526 CG PHE A 34 -4.314 -2.373 -0.535 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.465 -1.489 0.110 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.779 -3.284 -1.426 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.110 -1.511 -0.132 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.422 -3.307 -1.677 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.589 -2.419 -1.026 1.00 0.00 C ATOM 0 H PHE A 34 -5.124 -4.282 1.141 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.569 -1.522 1.716 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.260 -3.213 -0.710 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.232 -1.461 -0.658 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.871 -0.774 0.811 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.429 -3.984 -1.930 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.458 -0.818 0.378 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.013 -4.017 -2.380 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.526 -2.437 -1.219 1.00 0.00 H new ATOM 541 N ASN A 35 -8.178 -3.481 1.522 1.00 0.00 N ATOM 542 CA ASN A 35 -9.598 -3.565 1.831 1.00 0.00 C ATOM 543 C ASN A 35 -9.878 -2.897 3.174 1.00 0.00 C ATOM 544 O ASN A 35 -10.892 -2.224 3.358 1.00 0.00 O ATOM 545 CB ASN A 35 -10.018 -5.031 1.891 1.00 0.00 C ATOM 546 CG ASN A 35 -11.489 -5.212 2.179 1.00 0.00 C ATOM 547 OD1 ASN A 35 -12.032 -4.626 3.116 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.137 -6.045 1.381 1.00 0.00 N ATOM 0 H ASN A 35 -7.750 -4.370 1.263 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.166 -3.054 1.054 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.777 -5.511 0.943 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.437 -5.538 2.662 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.130 -6.225 1.529 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.644 -6.507 0.617 1.00 0.00 H new ATOM 555 N ASP A 36 -8.954 -3.103 4.105 1.00 0.00 N ATOM 556 CA ASP A 36 -9.061 -2.541 5.447 1.00 0.00 C ATOM 557 C ASP A 36 -8.323 -1.207 5.584 1.00 0.00 C ATOM 558 O ASP A 36 -8.655 -0.403 6.455 1.00 0.00 O ATOM 559 CB ASP A 36 -8.537 -3.535 6.483 1.00 0.00 C ATOM 560 CG ASP A 36 -9.376 -4.796 6.544 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.584 -4.691 6.847 1.00 0.00 O ATOM 562 OD2 ASP A 36 -8.827 -5.886 6.291 1.00 0.00 O ATOM 0 H ASP A 36 -8.114 -3.661 3.953 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.119 -2.348 5.627 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.507 -3.798 6.243 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.525 -3.061 7.465 1.00 0.00 H new ATOM 567 N ASN A 37 -7.335 -0.958 4.725 1.00 0.00 N ATOM 568 CA ASN A 37 -6.594 0.302 4.785 1.00 0.00 C ATOM 569 C ASN A 37 -7.385 1.403 4.094 1.00 0.00 C ATOM 570 O ASN A 37 -7.528 2.505 4.623 1.00 0.00 O ATOM 571 CB ASN A 37 -5.215 0.174 4.124 1.00 0.00 C ATOM 572 CG ASN A 37 -4.304 -0.804 4.837 1.00 0.00 C ATOM 573 OD1 ASN A 37 -3.578 -1.610 4.065 1.00 0.00 O flip ATOM 574 ND2 ASN A 37 -4.226 -0.816 6.065 1.00 0.00 N flip ATOM 0 H ASN A 37 -7.033 -1.599 3.992 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.449 0.553 5.836 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.343 -0.145 3.090 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.738 1.154 4.099 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.801 -0.181 6.619 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.586 -1.461 6.529 1.00 0.00 H new ATOM 581 N GLY A 38 -7.892 1.072 2.907 1.00 0.00 N ATOM 582 CA GLY A 38 -8.681 1.988 2.095 1.00 0.00 C ATOM 583 C GLY A 38 -9.039 3.309 2.755 1.00 0.00 C ATOM 584 O GLY A 38 -8.172 4.148 3.002 1.00 0.00 O ATOM 0 H GLY A 38 -7.764 0.154 2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.131 2.198 1.178 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.604 1.485 1.805 1.00 0.00 H new ATOM 588 N VAL A 39 -10.333 3.519 2.964 1.00 0.00 N ATOM 589 CA VAL A 39 -10.825 4.780 3.512 1.00 0.00 C ATOM 590 C VAL A 39 -11.275 4.706 4.972 1.00 0.00 C ATOM 591 O VAL A 39 -11.710 5.717 5.525 1.00 0.00 O ATOM 592 CB VAL A 39 -12.017 5.278 2.682 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.453 6.667 3.124 1.00 0.00 C ATOM 594 CG2 VAL A 39 -11.684 5.261 1.199 1.00 0.00 C ATOM 0 H VAL A 39 -11.061 2.834 2.763 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.975 5.461 3.467 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.852 4.598 2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.299 6.993 2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.747 6.639 4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.626 7.365 2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.542 5.618 0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.829 5.910 1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.442 4.243 0.892 1.00 0.00 H new ATOM 604 N ASP A 40 -11.190 3.548 5.615 1.00 0.00 N ATOM 605 CA ASP A 40 -11.618 3.445 7.011 1.00 0.00 C ATOM 606 C ASP A 40 -10.522 2.871 7.911 1.00 0.00 C ATOM 607 O ASP A 40 -10.796 2.451 9.036 1.00 0.00 O ATOM 608 CB ASP A 40 -12.876 2.578 7.110 1.00 0.00 C ATOM 609 CG ASP A 40 -14.042 3.161 6.337 1.00 0.00 C ATOM 610 OD1 ASP A 40 -13.910 3.333 5.106 1.00 0.00 O ATOM 611 OD2 ASP A 40 -15.085 3.447 6.960 1.00 0.00 O ATOM 0 H ASP A 40 -10.837 2.683 5.206 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.835 4.455 7.360 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.656 1.579 6.732 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.157 2.468 8.157 1.00 0.00 H new ATOM 616 N GLY A 41 -9.288 2.839 7.416 1.00 0.00 N ATOM 617 CA GLY A 41 -8.189 2.297 8.200 1.00 0.00 C ATOM 618 C GLY A 41 -7.676 3.254 9.262 1.00 0.00 C ATOM 619 O GLY A 41 -7.990 4.445 9.243 1.00 0.00 O ATOM 0 H GLY A 41 -9.029 3.177 6.489 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.515 1.374 8.680 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.369 2.035 7.531 1.00 0.00 H new ATOM 623 N GLU A 42 -6.870 2.728 10.184 1.00 0.00 N ATOM 624 CA GLU A 42 -6.290 3.532 11.254 1.00 0.00 C ATOM 625 C GLU A 42 -4.898 4.005 10.852 1.00 0.00 C ATOM 626 O GLU A 42 -3.934 3.241 10.904 1.00 0.00 O ATOM 627 CB GLU A 42 -6.208 2.728 12.557 1.00 0.00 C ATOM 628 CG GLU A 42 -7.551 2.210 13.048 1.00 0.00 C ATOM 629 CD GLU A 42 -8.085 1.059 12.215 1.00 0.00 C ATOM 630 OE1 GLU A 42 -7.348 0.570 11.335 1.00 0.00 O ATOM 631 OE2 GLU A 42 -9.235 0.638 12.457 1.00 0.00 O ATOM 0 H GLU A 42 -6.604 1.744 10.209 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.933 4.396 11.421 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.536 1.883 12.409 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.766 3.355 13.332 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.452 1.886 14.084 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.274 3.025 13.037 1.00 0.00 H new ATOM 638 N TRP A 43 -4.804 5.258 10.417 1.00 0.00 N ATOM 639 CA TRP A 43 -3.534 5.814 9.965 1.00 0.00 C ATOM 640 C TRP A 43 -2.861 6.678 11.027 1.00 0.00 C ATOM 641 O TRP A 43 -3.419 7.680 11.472 1.00 0.00 O ATOM 642 CB TRP A 43 -3.755 6.665 8.717 1.00 0.00 C ATOM 643 CG TRP A 43 -4.363 5.926 7.565 1.00 0.00 C ATOM 644 CD1 TRP A 43 -5.259 4.893 7.614 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.118 6.176 6.182 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.581 4.491 6.341 1.00 0.00 N ATOM 647 CE2 TRP A 43 -4.893 5.264 5.446 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.314 7.088 5.494 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -4.889 5.237 4.055 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.310 7.062 4.115 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.094 6.142 3.408 1.00 0.00 C ATOM 0 H TRP A 43 -5.590 5.906 10.368 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.880 4.969 9.750 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.399 7.506 8.975 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.798 7.081 8.402 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.655 4.458 8.520 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.227 3.739 6.102 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.707 7.801 6.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.491 4.528 3.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.693 7.762 3.572 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.070 6.147 2.328 1.00 0.00 H new ATOM 662 N THR A 44 -1.642 6.302 11.401 1.00 0.00 N ATOM 663 CA THR A 44 -0.872 7.063 12.377 1.00 0.00 C ATOM 664 C THR A 44 0.168 7.914 11.651 1.00 0.00 C ATOM 665 O THR A 44 0.840 7.435 10.737 1.00 0.00 O ATOM 666 CB THR A 44 -0.193 6.125 13.377 1.00 0.00 C ATOM 667 OG1 THR A 44 0.636 5.192 12.709 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.172 5.344 14.227 1.00 0.00 C ATOM 0 H THR A 44 -1.166 5.474 11.042 1.00 0.00 H new ATOM 0 HA THR A 44 -1.546 7.716 12.932 1.00 0.00 H new ATOM 0 HB THR A 44 0.391 6.775 14.029 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.891 5.549 11.833 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.624 4.699 14.914 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.792 6.036 14.796 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.806 4.734 13.584 1.00 0.00 H new ATOM 676 N TYR A 45 0.284 9.178 12.041 1.00 0.00 N ATOM 677 CA TYR A 45 1.227 10.089 11.399 1.00 0.00 C ATOM 678 C TYR A 45 2.414 10.396 12.309 1.00 0.00 C ATOM 679 O TYR A 45 2.247 10.625 13.507 1.00 0.00 O ATOM 680 CB TYR A 45 0.510 11.386 11.013 1.00 0.00 C ATOM 681 CG TYR A 45 1.347 12.347 10.193 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.381 11.893 9.382 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.094 13.713 10.227 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.135 12.773 8.629 1.00 0.00 C ATOM 685 CE2 TYR A 45 1.845 14.598 9.479 1.00 0.00 C ATOM 686 CZ TYR A 45 2.865 14.123 8.681 1.00 0.00 C ATOM 687 OH TYR A 45 3.616 15.001 7.931 1.00 0.00 O ATOM 0 H TYR A 45 -0.261 9.595 12.796 1.00 0.00 H new ATOM 0 HA TYR A 45 1.612 9.604 10.502 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.389 11.135 10.450 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.186 11.892 11.923 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.598 10.836 9.340 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.296 14.089 10.850 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.933 12.404 8.002 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.635 15.657 9.519 1.00 0.00 H new ATOM 0 HH TYR A 45 3.296 15.915 8.080 1.00 0.00 H new ATOM 697 N ASP A 46 3.613 10.411 11.728 1.00 0.00 N ATOM 698 CA ASP A 46 4.828 10.701 12.482 1.00 0.00 C ATOM 699 C ASP A 46 5.571 11.883 11.865 1.00 0.00 C ATOM 700 O ASP A 46 6.518 11.703 11.098 1.00 0.00 O ATOM 701 CB ASP A 46 5.738 9.472 12.522 1.00 0.00 C ATOM 702 CG ASP A 46 6.995 9.709 13.336 1.00 0.00 C ATOM 703 OD1 ASP A 46 6.873 10.011 14.542 1.00 0.00 O ATOM 704 OD2 ASP A 46 8.101 9.593 12.768 1.00 0.00 O ATOM 0 H ASP A 46 3.767 10.225 10.737 1.00 0.00 H new ATOM 0 HA ASP A 46 4.544 10.961 13.502 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.189 8.630 12.944 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.014 9.195 11.505 1.00 0.00 H new ATOM 709 N ASP A 47 5.129 13.092 12.200 1.00 0.00 N ATOM 710 CA ASP A 47 5.741 14.312 11.678 1.00 0.00 C ATOM 711 C ASP A 47 7.264 14.259 11.777 1.00 0.00 C ATOM 712 O ASP A 47 7.973 14.766 10.908 1.00 0.00 O ATOM 713 CB ASP A 47 5.221 15.533 12.441 1.00 0.00 C ATOM 714 CG ASP A 47 3.706 15.611 12.450 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.060 14.696 11.899 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.167 16.588 13.013 1.00 0.00 O ATOM 0 H ASP A 47 4.346 13.254 12.833 1.00 0.00 H new ATOM 0 HA ASP A 47 5.468 14.394 10.626 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.586 15.498 13.468 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.625 16.439 11.989 1.00 0.00 H new ATOM 721 N ALA A 48 7.757 13.655 12.851 1.00 0.00 N ATOM 722 CA ALA A 48 9.194 13.544 13.084 1.00 0.00 C ATOM 723 C ALA A 48 9.929 12.971 11.875 1.00 0.00 C ATOM 724 O ALA A 48 11.087 13.312 11.630 1.00 0.00 O ATOM 725 CB ALA A 48 9.460 12.689 14.313 1.00 0.00 C ATOM 0 H ALA A 48 7.181 13.232 13.579 1.00 0.00 H new ATOM 0 HA ALA A 48 9.577 14.551 13.251 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.535 12.613 14.478 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.991 13.148 15.184 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.045 11.693 14.160 1.00 0.00 H new ATOM 731 N THR A 49 9.267 12.093 11.129 1.00 0.00 N ATOM 732 CA THR A 49 9.886 11.475 9.959 1.00 0.00 C ATOM 733 C THR A 49 9.078 11.716 8.683 1.00 0.00 C ATOM 734 O THR A 49 9.340 11.096 7.654 1.00 0.00 O ATOM 735 CB THR A 49 10.053 9.972 10.185 1.00 0.00 C ATOM 736 OG1 THR A 49 8.797 9.354 10.397 1.00 0.00 O ATOM 737 CG2 THR A 49 10.933 9.640 11.372 1.00 0.00 C ATOM 0 H THR A 49 8.309 11.794 11.311 1.00 0.00 H new ATOM 0 HA THR A 49 10.862 11.941 9.826 1.00 0.00 H new ATOM 0 HB THR A 49 10.531 9.595 9.281 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.347 9.779 11.157 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.010 8.558 11.476 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.926 10.061 11.218 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.497 10.062 12.278 1.00 0.00 H new ATOM 745 N LYS A 50 8.099 12.617 8.747 1.00 0.00 N ATOM 746 CA LYS A 50 7.275 12.917 7.578 1.00 0.00 C ATOM 747 C LYS A 50 6.738 11.632 6.951 1.00 0.00 C ATOM 748 O LYS A 50 6.654 11.513 5.727 1.00 0.00 O ATOM 749 CB LYS A 50 8.102 13.682 6.543 1.00 0.00 C ATOM 750 CG LYS A 50 8.490 15.084 6.985 1.00 0.00 C ATOM 751 CD LYS A 50 7.457 16.115 6.554 1.00 0.00 C ATOM 752 CE LYS A 50 6.069 15.794 7.083 1.00 0.00 C ATOM 753 NZ LYS A 50 6.031 15.743 8.571 1.00 0.00 N ATOM 0 H LYS A 50 7.859 13.146 9.585 1.00 0.00 H new ATOM 0 HA LYS A 50 6.432 13.529 7.899 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.008 13.116 6.324 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.535 13.747 5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.597 15.107 8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.461 15.343 6.563 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.760 17.100 6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.427 16.163 5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.364 16.546 6.729 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.741 14.836 6.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.092 15.422 8.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.755 15.080 8.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.219 16.691 8.956 1.00 0.00 H new ATOM 767 N THR A 51 6.400 10.660 7.794 1.00 0.00 N ATOM 768 CA THR A 51 5.902 9.375 7.316 1.00 0.00 C ATOM 769 C THR A 51 4.534 9.041 7.908 1.00 0.00 C ATOM 770 O THR A 51 4.261 9.343 9.069 1.00 0.00 O ATOM 771 CB THR A 51 6.905 8.276 7.672 1.00 0.00 C ATOM 772 OG1 THR A 51 8.152 8.516 7.047 1.00 0.00 O ATOM 773 CG2 THR A 51 6.452 6.889 7.277 1.00 0.00 C ATOM 0 H THR A 51 6.462 10.738 8.809 1.00 0.00 H new ATOM 0 HA THR A 51 5.786 9.439 6.234 1.00 0.00 H new ATOM 0 HB THR A 51 6.991 8.310 8.758 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.511 9.376 7.352 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.214 6.163 7.561 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.518 6.653 7.786 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.297 6.850 6.199 1.00 0.00 H new ATOM 781 N PHE A 52 3.678 8.410 7.102 1.00 0.00 N ATOM 782 CA PHE A 52 2.343 8.035 7.564 1.00 0.00 C ATOM 783 C PHE A 52 2.190 6.520 7.691 1.00 0.00 C ATOM 784 O PHE A 52 1.872 5.826 6.724 1.00 0.00 O ATOM 785 CB PHE A 52 1.269 8.550 6.615 1.00 0.00 C ATOM 786 CG PHE A 52 1.244 10.043 6.445 1.00 0.00 C ATOM 787 CD1 PHE A 52 0.502 10.839 7.304 1.00 0.00 C ATOM 788 CD2 PHE A 52 1.951 10.649 5.420 1.00 0.00 C ATOM 789 CE1 PHE A 52 0.466 12.211 7.142 1.00 0.00 C ATOM 790 CE2 PHE A 52 1.920 12.021 5.254 1.00 0.00 C ATOM 791 CZ PHE A 52 1.177 12.803 6.116 1.00 0.00 C ATOM 0 H PHE A 52 3.883 8.151 6.137 1.00 0.00 H new ATOM 0 HA PHE A 52 2.219 8.490 8.547 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.415 8.089 5.638 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.295 8.223 6.979 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.054 10.382 8.109 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.533 10.043 4.742 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.117 12.820 7.817 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.476 12.481 4.451 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.152 13.875 5.988 1.00 0.00 H new ATOM 801 N THR A 53 2.411 6.028 8.896 1.00 0.00 N ATOM 802 CA THR A 53 2.290 4.597 9.175 1.00 0.00 C ATOM 803 C THR A 53 0.830 4.158 9.188 1.00 0.00 C ATOM 804 O THR A 53 -0.002 4.737 9.886 1.00 0.00 O ATOM 805 CB THR A 53 2.969 4.219 10.494 1.00 0.00 C ATOM 806 OG1 THR A 53 2.749 5.208 11.482 1.00 0.00 O ATOM 807 CG2 THR A 53 4.459 3.991 10.363 1.00 0.00 C ATOM 0 H THR A 53 2.676 6.594 9.702 1.00 0.00 H new ATOM 0 HA THR A 53 2.802 4.071 8.369 1.00 0.00 H new ATOM 0 HB THR A 53 2.511 3.275 10.791 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.286 4.808 12.247 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.874 3.727 11.336 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.642 3.180 9.658 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.936 4.902 10.000 1.00 0.00 H new ATOM 815 N VAL A 54 0.536 3.122 8.410 1.00 0.00 N ATOM 816 CA VAL A 54 -0.813 2.580 8.321 1.00 0.00 C ATOM 817 C VAL A 54 -0.864 1.187 8.941 1.00 0.00 C ATOM 818 O VAL A 54 -0.291 0.238 8.407 1.00 0.00 O ATOM 819 CB VAL A 54 -1.302 2.515 6.856 1.00 0.00 C ATOM 820 CG1 VAL A 54 -2.706 1.938 6.780 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.254 3.896 6.220 1.00 0.00 C ATOM 0 H VAL A 54 1.220 2.638 7.828 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.474 3.249 8.872 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.635 1.855 6.301 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.029 1.902 5.740 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.708 0.930 7.196 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.389 2.567 7.350 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.601 3.834 5.189 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.896 4.576 6.779 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.230 4.269 6.236 1.00 0.00 H new ATOM 831 N THR A 55 -1.547 1.075 10.076 1.00 0.00 N ATOM 832 CA THR A 55 -1.660 -0.203 10.769 1.00 0.00 C ATOM 833 C THR A 55 -3.030 -0.831 10.546 1.00 0.00 C ATOM 834 O THR A 55 -4.055 -0.253 10.908 1.00 0.00 O ATOM 835 CB THR A 55 -1.403 -0.024 12.265 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.174 0.646 12.484 1.00 0.00 O ATOM 837 CG2 THR A 55 -1.345 -1.335 13.015 1.00 0.00 C ATOM 0 H THR A 55 -2.028 1.850 10.533 1.00 0.00 H new ATOM 0 HA THR A 55 -0.906 -0.874 10.357 1.00 0.00 H new ATOM 0 HB THR A 55 -2.244 0.559 12.639 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.027 0.753 13.447 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.160 -1.142 14.072 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.293 -1.861 12.903 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.540 -1.949 12.612 1.00 0.00 H new ATOM 845 N GLU A 56 -3.043 -2.016 9.941 1.00 0.00 N ATOM 846 CA GLU A 56 -4.296 -2.713 9.666 1.00 0.00 C ATOM 847 C GLU A 56 -4.857 -3.342 10.937 1.00 0.00 C ATOM 848 O GLU A 56 -6.092 -3.502 11.021 1.00 0.00 O ATOM 849 CB GLU A 56 -4.089 -3.780 8.586 1.00 0.00 C ATOM 850 CG GLU A 56 -3.204 -4.941 9.018 1.00 0.00 C ATOM 851 CD GLU A 56 -3.990 -6.110 9.586 1.00 0.00 C ATOM 852 OE1 GLU A 56 -4.677 -5.927 10.611 1.00 0.00 O ATOM 853 OE2 GLU A 56 -3.917 -7.211 9.000 1.00 0.00 O ATOM 854 OXT GLU A 56 -4.055 -3.671 11.837 1.00 0.00 O ATOM 0 H GLU A 56 -2.206 -2.511 9.634 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.019 -1.984 9.300 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.061 -4.171 8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.649 -3.310 7.706 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.622 -5.284 8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.494 -4.590 9.767 1.00 0.00 H new ATOM 862 N MET B 1 5.475 18.861 -1.290 1.00 0.00 N ATOM 863 CA MET B 1 6.624 18.094 -0.743 1.00 0.00 C ATOM 864 C MET B 1 6.425 16.595 -0.945 1.00 0.00 C ATOM 865 O MET B 1 5.333 16.144 -1.288 1.00 0.00 O ATOM 866 CB MET B 1 6.759 18.421 0.750 1.00 0.00 C ATOM 867 CG MET B 1 7.989 17.811 1.402 1.00 0.00 C ATOM 868 SD MET B 1 8.249 18.397 3.087 1.00 0.00 S ATOM 869 CE MET B 1 6.707 17.916 3.858 1.00 0.00 C ATOM 0 H1 MET B 1 5.157 19.558 -0.587 1.00 0.00 H new ATOM 0 H2 MET B 1 5.768 19.353 -2.158 1.00 0.00 H new ATOM 0 H3 MET B 1 4.695 18.209 -1.508 1.00 0.00 H new ATOM 0 HA MET B 1 7.535 18.377 -1.271 1.00 0.00 H new ATOM 0 HB2 MET B 1 6.792 19.503 0.874 1.00 0.00 H new ATOM 0 HB3 MET B 1 5.870 18.068 1.272 1.00 0.00 H new ATOM 0 HG2 MET B 1 7.889 16.726 1.411 1.00 0.00 H new ATOM 0 HG3 MET B 1 8.867 18.046 0.801 1.00 0.00 H new ATOM 0 HE1 MET B 1 6.789 18.032 4.939 1.00 0.00 H new ATOM 0 HE2 MET B 1 5.901 18.548 3.485 1.00 0.00 H new ATOM 0 HE3 MET B 1 6.491 16.875 3.620 1.00 0.00 H new ATOM 881 N GLN B 2 7.483 15.824 -0.714 1.00 0.00 N ATOM 882 CA GLN B 2 7.421 14.376 -0.857 1.00 0.00 C ATOM 883 C GLN B 2 7.229 13.726 0.507 1.00 0.00 C ATOM 884 O GLN B 2 7.861 14.119 1.486 1.00 0.00 O ATOM 885 CB GLN B 2 8.696 13.846 -1.516 1.00 0.00 C ATOM 886 CG GLN B 2 8.703 12.335 -1.700 1.00 0.00 C ATOM 887 CD GLN B 2 9.970 11.805 -2.361 1.00 0.00 C ATOM 888 OE1 GLN B 2 10.904 12.693 -2.697 1.00 0.00 O flip ATOM 889 NE2 GLN B 2 10.108 10.599 -2.568 1.00 0.00 N flip ATOM 0 H GLN B 2 8.395 16.180 -0.427 1.00 0.00 H new ATOM 0 HA GLN B 2 6.573 14.126 -1.494 1.00 0.00 H new ATOM 0 HB2 GLN B 2 8.818 14.323 -2.489 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.555 14.134 -0.910 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.585 11.859 -0.727 1.00 0.00 H new ATOM 0 HG3 GLN B 2 7.842 12.047 -2.303 1.00 0.00 H new ATOM 0 HE21 GLN B 2 9.371 9.948 -2.297 1.00 0.00 H new ATOM 0 HE22 GLN B 2 10.959 10.252 -3.010 1.00 0.00 H new ATOM 898 N TYR B 3 6.350 12.733 0.571 1.00 0.00 N ATOM 899 CA TYR B 3 6.081 12.045 1.825 1.00 0.00 C ATOM 900 C TYR B 3 6.230 10.539 1.666 1.00 0.00 C ATOM 901 O TYR B 3 5.885 9.976 0.627 1.00 0.00 O ATOM 902 CB TYR B 3 4.675 12.384 2.320 1.00 0.00 C ATOM 903 CG TYR B 3 4.456 13.863 2.545 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.357 14.740 1.472 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.350 14.382 3.829 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.159 16.093 1.672 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.151 15.733 4.037 1.00 0.00 C ATOM 908 CZ TYR B 3 4.057 16.585 2.956 1.00 0.00 C ATOM 909 OH TYR B 3 3.857 17.932 3.161 1.00 0.00 O ATOM 0 H TYR B 3 5.815 12.389 -0.226 1.00 0.00 H new ATOM 0 HA TYR B 3 6.811 12.383 2.561 1.00 0.00 H new ATOM 0 HB2 TYR B 3 3.946 12.023 1.595 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.488 11.851 3.252 1.00 0.00 H new ATOM 0 HD1 TYR B 3 4.436 14.358 0.465 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.424 13.719 4.678 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.085 16.761 0.827 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.069 16.121 5.042 1.00 0.00 H new ATOM 0 HH TYR B 3 3.807 18.113 4.123 1.00 0.00 H new ATOM 919 N LYS B 4 6.747 9.893 2.703 1.00 0.00 N ATOM 920 CA LYS B 4 6.944 8.449 2.686 1.00 0.00 C ATOM 921 C LYS B 4 5.949 7.767 3.616 1.00 0.00 C ATOM 922 O LYS B 4 6.044 7.889 4.834 1.00 0.00 O ATOM 923 CB LYS B 4 8.373 8.106 3.105 1.00 0.00 C ATOM 924 CG LYS B 4 8.692 6.622 3.022 1.00 0.00 C ATOM 925 CD LYS B 4 10.123 6.337 3.447 1.00 0.00 C ATOM 926 CE LYS B 4 10.458 4.860 3.320 1.00 0.00 C ATOM 927 NZ LYS B 4 10.331 4.381 1.916 1.00 0.00 N ATOM 0 H LYS B 4 7.038 10.347 3.569 1.00 0.00 H new ATOM 0 HA LYS B 4 6.778 8.088 1.671 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.070 8.655 2.472 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.535 8.447 4.127 1.00 0.00 H new ATOM 0 HG2 LYS B 4 8.004 6.065 3.658 1.00 0.00 H new ATOM 0 HG3 LYS B 4 8.537 6.272 2.001 1.00 0.00 H new ATOM 0 HD2 LYS B 4 10.809 6.921 2.833 1.00 0.00 H new ATOM 0 HD3 LYS B 4 10.268 6.657 4.479 1.00 0.00 H new ATOM 0 HE2 LYS B 4 11.475 4.687 3.672 1.00 0.00 H new ATOM 0 HE3 LYS B 4 9.795 4.281 3.963 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 10.757 3.436 1.832 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 9.325 4.332 1.656 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 10.821 5.040 1.279 1.00 0.00 H new ATOM 941 N VAL B 5 4.992 7.056 3.036 1.00 0.00 N ATOM 942 CA VAL B 5 3.981 6.366 3.823 1.00 0.00 C ATOM 943 C VAL B 5 4.377 4.915 4.070 1.00 0.00 C ATOM 944 O VAL B 5 4.855 4.226 3.171 1.00 0.00 O ATOM 945 CB VAL B 5 2.604 6.416 3.130 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.542 5.721 3.973 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.206 7.855 2.844 1.00 0.00 C ATOM 0 H VAL B 5 4.895 6.942 2.027 1.00 0.00 H new ATOM 0 HA VAL B 5 3.910 6.881 4.781 1.00 0.00 H new ATOM 0 HB VAL B 5 2.681 5.883 2.182 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.581 5.771 3.461 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.820 4.678 4.121 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.464 6.217 4.941 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.232 7.873 2.355 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.152 8.411 3.780 1.00 0.00 H new ATOM 0 HG23 VAL B 5 2.948 8.315 2.191 1.00 0.00 H new ATOM 957 N ILE B 6 4.162 4.457 5.296 1.00 0.00 N ATOM 958 CA ILE B 6 4.480 3.087 5.666 1.00 0.00 C ATOM 959 C ILE B 6 3.203 2.287 5.870 1.00 0.00 C ATOM 960 O ILE B 6 2.328 2.679 6.639 1.00 0.00 O ATOM 961 CB ILE B 6 5.345 3.026 6.943 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.707 3.668 6.684 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.518 1.585 7.413 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.585 3.743 7.915 1.00 0.00 C ATOM 0 H ILE B 6 3.768 5.017 6.052 1.00 0.00 H new ATOM 0 HA ILE B 6 5.056 2.652 4.849 1.00 0.00 H new ATOM 0 HB ILE B 6 4.836 3.581 7.731 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.226 3.100 5.912 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.557 4.674 6.293 1.00 0.00 H new ATOM 0 HG21 ILE B 6 6.131 1.567 8.314 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.541 1.153 7.630 1.00 0.00 H new ATOM 0 HG23 ILE B 6 6.006 1.003 6.631 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.535 4.210 7.656 1.00 0.00 H new ATOM 0 HD12 ILE B 6 7.086 4.336 8.682 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.766 2.737 8.294 1.00 0.00 H new ATOM 976 N LEU B 7 3.103 1.167 5.173 1.00 0.00 N ATOM 977 CA LEU B 7 1.932 0.313 5.272 1.00 0.00 C ATOM 978 C LEU B 7 2.242 -0.890 6.152 1.00 0.00 C ATOM 979 O LEU B 7 2.584 -1.967 5.662 1.00 0.00 O ATOM 980 CB LEU B 7 1.492 -0.125 3.873 1.00 0.00 C ATOM 981 CG LEU B 7 1.586 0.967 2.807 1.00 0.00 C ATOM 982 CD1 LEU B 7 1.004 0.475 1.491 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.883 2.230 3.282 1.00 0.00 C ATOM 0 H LEU B 7 3.820 0.828 4.532 1.00 0.00 H new ATOM 0 HA LEU B 7 1.113 0.867 5.730 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.104 -0.972 3.562 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.462 -0.478 3.924 1.00 0.00 H new ATOM 0 HG LEU B 7 2.636 1.208 2.640 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.078 1.264 0.743 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.559 -0.400 1.152 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.043 0.208 1.634 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.958 2.999 2.513 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.167 2.011 3.475 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.354 2.586 4.198 1.00 0.00 H new ATOM 995 N ASN B 8 2.149 -0.683 7.463 1.00 0.00 N ATOM 996 CA ASN B 8 2.446 -1.725 8.438 1.00 0.00 C ATOM 997 C ASN B 8 1.199 -2.522 8.812 1.00 0.00 C ATOM 998 O ASN B 8 0.314 -2.024 9.502 1.00 0.00 O ATOM 999 CB ASN B 8 3.044 -1.084 9.693 1.00 0.00 C ATOM 1000 CG ASN B 8 3.623 -2.098 10.655 1.00 0.00 C ATOM 1001 OD1 ASN B 8 2.950 -3.042 11.067 1.00 0.00 O ATOM 1002 ND2 ASN B 8 4.881 -1.894 11.031 1.00 0.00 N ATOM 0 H ASN B 8 1.867 0.206 7.876 1.00 0.00 H new ATOM 0 HA ASN B 8 3.159 -2.417 7.990 1.00 0.00 H new ATOM 0 HB2 ASN B 8 3.825 -0.383 9.399 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.272 -0.507 10.203 1.00 0.00 H new ATOM 0 HD21 ASN B 8 5.327 -2.534 11.688 1.00 0.00 H new ATOM 0 HD22 ASN B 8 5.400 -1.097 10.663 1.00 0.00 H new ATOM 1009 N GLY B 9 1.137 -3.768 8.361 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.003 -4.609 8.673 1.00 0.00 C ATOM 1011 C GLY B 9 0.388 -5.816 9.498 1.00 0.00 C ATOM 1012 O GLY B 9 1.516 -5.902 9.984 1.00 0.00 O ATOM 0 H GLY B 9 1.854 -4.211 7.786 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.746 -4.025 9.216 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.473 -4.940 7.747 1.00 0.00 H new ATOM 1016 N LYS B 10 -0.537 -6.755 9.649 1.00 0.00 N ATOM 1017 CA LYS B 10 -0.267 -7.963 10.411 1.00 0.00 C ATOM 1018 C LYS B 10 0.499 -8.967 9.557 1.00 0.00 C ATOM 1019 O LYS B 10 1.553 -9.465 9.956 1.00 0.00 O ATOM 1020 CB LYS B 10 -1.570 -8.587 10.915 1.00 0.00 C ATOM 1021 CG LYS B 10 -2.287 -7.747 11.960 1.00 0.00 C ATOM 1022 CD LYS B 10 -3.558 -8.425 12.443 1.00 0.00 C ATOM 1023 CE LYS B 10 -4.210 -7.652 13.580 1.00 0.00 C ATOM 1024 NZ LYS B 10 -4.590 -6.271 13.172 1.00 0.00 N ATOM 0 H LYS B 10 -1.476 -6.702 9.255 1.00 0.00 H new ATOM 0 HA LYS B 10 0.344 -7.694 11.273 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.238 -8.745 10.068 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -1.353 -9.568 11.337 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -1.623 -7.572 12.806 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -2.531 -6.771 11.539 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -4.260 -8.515 11.614 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -3.327 -9.437 12.776 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -5.097 -8.187 13.919 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -3.524 -7.604 14.426 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -5.335 -5.915 13.805 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -3.758 -5.650 13.232 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -4.943 -6.283 12.194 1.00 0.00 H new ATOM 1038 N THR B 11 -0.044 -9.264 8.382 1.00 0.00 N ATOM 1039 CA THR B 11 0.567 -10.206 7.463 1.00 0.00 C ATOM 1040 C THR B 11 1.226 -9.482 6.296 1.00 0.00 C ATOM 1041 O THR B 11 1.768 -10.115 5.388 1.00 0.00 O ATOM 1042 CB THR B 11 -0.498 -11.163 6.930 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.646 -10.444 6.513 1.00 0.00 O ATOM 1044 CG2 THR B 11 -0.943 -12.198 7.940 1.00 0.00 C ATOM 0 H THR B 11 -0.917 -8.858 8.044 1.00 0.00 H new ATOM 0 HA THR B 11 1.334 -10.763 8.002 1.00 0.00 H new ATOM 0 HB THR B 11 -0.028 -11.683 6.095 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.453 -10.935 6.775 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.700 -12.842 7.492 1.00 0.00 H new ATOM 0 HG22 THR B 11 -0.087 -12.801 8.244 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.363 -11.698 8.813 1.00 0.00 H new ATOM 1052 N LEU B 12 1.163 -8.154 6.309 1.00 0.00 N ATOM 1053 CA LEU B 12 1.741 -7.367 5.235 1.00 0.00 C ATOM 1054 C LEU B 12 2.481 -6.142 5.769 1.00 0.00 C ATOM 1055 O LEU B 12 1.999 -5.450 6.663 1.00 0.00 O ATOM 1056 CB LEU B 12 0.641 -6.948 4.257 1.00 0.00 C ATOM 1057 CG LEU B 12 1.113 -6.121 3.068 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.301 -6.796 2.413 1.00 0.00 C ATOM 1059 CD2 LEU B 12 -0.016 -5.927 2.067 1.00 0.00 C ATOM 0 H LEU B 12 0.720 -7.607 7.047 1.00 0.00 H new ATOM 0 HA LEU B 12 2.473 -7.984 4.714 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.148 -7.845 3.883 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.110 -6.376 4.802 1.00 0.00 H new ATOM 0 HG LEU B 12 1.419 -5.137 3.422 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.635 -6.201 1.563 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.113 -6.885 3.135 1.00 0.00 H new ATOM 0 HD13 LEU B 12 2.011 -7.789 2.069 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.342 -5.334 1.225 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.355 -6.899 1.708 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.845 -5.409 2.549 1.00 0.00 H new ATOM 1071 N LYS B 13 3.651 -5.880 5.192 1.00 0.00 N ATOM 1072 CA LYS B 13 4.472 -4.735 5.581 1.00 0.00 C ATOM 1073 C LYS B 13 5.141 -4.134 4.350 1.00 0.00 C ATOM 1074 O LYS B 13 5.518 -4.859 3.432 1.00 0.00 O ATOM 1075 CB LYS B 13 5.549 -5.138 6.591 1.00 0.00 C ATOM 1076 CG LYS B 13 5.035 -5.949 7.770 1.00 0.00 C ATOM 1077 CD LYS B 13 4.900 -7.422 7.420 1.00 0.00 C ATOM 1078 CE LYS B 13 4.634 -8.264 8.655 1.00 0.00 C ATOM 1079 NZ LYS B 13 3.430 -7.797 9.396 1.00 0.00 N ATOM 0 H LYS B 13 4.055 -6.449 4.448 1.00 0.00 H new ATOM 0 HA LYS B 13 3.817 -3.999 6.048 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.315 -5.716 6.075 1.00 0.00 H new ATOM 0 HB3 LYS B 13 6.031 -4.236 6.969 1.00 0.00 H new ATOM 0 HG2 LYS B 13 5.715 -5.836 8.614 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.067 -5.559 8.086 1.00 0.00 H new ATOM 0 HD2 LYS B 13 4.087 -7.555 6.706 1.00 0.00 H new ATOM 0 HD3 LYS B 13 5.812 -7.767 6.933 1.00 0.00 H new ATOM 0 HE2 LYS B 13 4.499 -9.305 8.362 1.00 0.00 H new ATOM 0 HE3 LYS B 13 5.502 -8.228 9.313 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 2.882 -8.619 9.721 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 3.726 -7.232 10.217 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 2.841 -7.214 8.768 1.00 0.00 H new ATOM 1093 N GLY B 14 5.294 -2.815 4.329 1.00 0.00 N ATOM 1094 CA GLY B 14 5.924 -2.176 3.186 1.00 0.00 C ATOM 1095 C GLY B 14 6.170 -0.694 3.384 1.00 0.00 C ATOM 1096 O GLY B 14 5.899 -0.142 4.451 1.00 0.00 O ATOM 0 H GLY B 14 4.998 -2.182 5.072 1.00 0.00 H new ATOM 0 HA2 GLY B 14 6.874 -2.670 2.981 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.295 -2.318 2.307 1.00 0.00 H new ATOM 1100 N GLU B 15 6.686 -0.052 2.340 1.00 0.00 N ATOM 1101 CA GLU B 15 6.975 1.376 2.373 1.00 0.00 C ATOM 1102 C GLU B 15 6.615 2.019 1.040 1.00 0.00 C ATOM 1103 O GLU B 15 6.915 1.477 -0.025 1.00 0.00 O ATOM 1104 CB GLU B 15 8.453 1.606 2.692 1.00 0.00 C ATOM 1105 CG GLU B 15 8.885 1.003 4.021 1.00 0.00 C ATOM 1106 CD GLU B 15 10.363 1.195 4.299 1.00 0.00 C ATOM 1107 OE1 GLU B 15 10.807 2.360 4.373 1.00 0.00 O ATOM 1108 OE2 GLU B 15 11.076 0.180 4.442 1.00 0.00 O ATOM 0 H GLU B 15 6.914 -0.504 1.454 1.00 0.00 H new ATOM 0 HA GLU B 15 6.372 1.838 3.155 1.00 0.00 H new ATOM 0 HB2 GLU B 15 9.060 1.180 1.893 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.652 2.678 2.706 1.00 0.00 H new ATOM 0 HG2 GLU B 15 8.306 1.456 4.826 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.655 -0.062 4.024 1.00 0.00 H new ATOM 1115 N THR B 16 5.956 3.169 1.102 1.00 0.00 N ATOM 1116 CA THR B 16 5.537 3.879 -0.098 1.00 0.00 C ATOM 1117 C THR B 16 5.789 5.381 0.030 1.00 0.00 C ATOM 1118 O THR B 16 6.078 5.877 1.117 1.00 0.00 O ATOM 1119 CB THR B 16 4.057 3.595 -0.373 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.511 4.583 -1.207 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.208 3.522 0.878 1.00 0.00 C ATOM 0 H THR B 16 5.700 3.631 1.975 1.00 0.00 H new ATOM 0 HA THR B 16 6.130 3.521 -0.940 1.00 0.00 H new ATOM 0 HB THR B 16 4.038 2.616 -0.852 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.793 4.194 -1.748 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.173 3.318 0.604 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.577 2.724 1.522 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.262 4.472 1.410 1.00 0.00 H new ATOM 1129 N THR B 17 5.701 6.099 -1.091 1.00 0.00 N ATOM 1130 CA THR B 17 5.941 7.542 -1.092 1.00 0.00 C ATOM 1131 C THR B 17 5.027 8.296 -2.062 1.00 0.00 C ATOM 1132 O THR B 17 5.062 8.067 -3.271 1.00 0.00 O ATOM 1133 CB THR B 17 7.401 7.825 -1.444 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.742 7.239 -2.687 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.377 7.313 -0.408 1.00 0.00 C ATOM 0 H THR B 17 5.467 5.708 -2.003 1.00 0.00 H new ATOM 0 HA THR B 17 5.715 7.901 -0.088 1.00 0.00 H new ATOM 0 HB THR B 17 7.481 8.911 -1.487 1.00 0.00 H new ATOM 0 HG1 THR B 17 6.957 7.237 -3.274 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.395 7.547 -0.720 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.173 7.789 0.551 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.268 6.233 -0.307 1.00 0.00 H new ATOM 1143 N THR B 18 4.225 9.209 -1.516 1.00 0.00 N ATOM 1144 CA THR B 18 3.312 10.026 -2.318 1.00 0.00 C ATOM 1145 C THR B 18 3.821 11.467 -2.384 1.00 0.00 C ATOM 1146 O THR B 18 4.412 11.967 -1.426 1.00 0.00 O ATOM 1147 CB THR B 18 1.906 10.000 -1.713 1.00 0.00 C ATOM 1148 OG1 THR B 18 0.987 10.645 -2.575 1.00 0.00 O ATOM 1149 CG2 THR B 18 1.817 10.671 -0.359 1.00 0.00 C ATOM 0 H THR B 18 4.188 9.403 -0.515 1.00 0.00 H new ATOM 0 HA THR B 18 3.270 9.615 -3.326 1.00 0.00 H new ATOM 0 HB THR B 18 1.664 8.945 -1.587 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.273 10.527 -3.505 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.792 10.615 0.008 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.482 10.166 0.342 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.112 11.716 -0.451 1.00 0.00 H new ATOM 1157 N GLU B 19 3.588 12.130 -3.510 1.00 0.00 N ATOM 1158 CA GLU B 19 4.026 13.515 -3.686 1.00 0.00 C ATOM 1159 C GLU B 19 2.836 14.469 -3.617 1.00 0.00 C ATOM 1160 O GLU B 19 1.930 14.403 -4.447 1.00 0.00 O ATOM 1161 CB GLU B 19 4.742 13.670 -5.030 1.00 0.00 C ATOM 1162 CG GLU B 19 5.215 15.086 -5.314 1.00 0.00 C ATOM 1163 CD GLU B 19 6.210 15.589 -4.285 1.00 0.00 C ATOM 1164 OE1 GLU B 19 7.273 14.952 -4.127 1.00 0.00 O ATOM 1165 OE2 GLU B 19 5.928 16.620 -3.641 1.00 0.00 O ATOM 0 H GLU B 19 3.100 11.735 -4.314 1.00 0.00 H new ATOM 0 HA GLU B 19 4.717 13.764 -2.880 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.601 12.999 -5.053 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.069 13.355 -5.828 1.00 0.00 H new ATOM 0 HG2 GLU B 19 5.673 15.120 -6.303 1.00 0.00 H new ATOM 0 HG3 GLU B 19 4.354 15.754 -5.338 1.00 0.00 H new ATOM 1172 N ALA B 20 2.835 15.352 -2.620 1.00 0.00 N ATOM 1173 CA ALA B 20 1.744 16.307 -2.454 1.00 0.00 C ATOM 1174 C ALA B 20 2.227 17.625 -1.851 1.00 0.00 C ATOM 1175 O ALA B 20 3.207 17.663 -1.107 1.00 0.00 O ATOM 1176 CB ALA B 20 0.646 15.703 -1.593 1.00 0.00 C ATOM 0 H ALA B 20 3.573 15.425 -1.920 1.00 0.00 H new ATOM 0 HA ALA B 20 1.345 16.528 -3.444 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -0.163 16.424 -1.476 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.262 14.802 -2.072 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.050 15.449 -0.613 1.00 0.00 H new ATOM 1182 N VAL B 21 1.536 18.704 -2.205 1.00 0.00 N ATOM 1183 CA VAL B 21 1.882 20.045 -1.736 1.00 0.00 C ATOM 1184 C VAL B 21 2.047 20.096 -0.216 1.00 0.00 C ATOM 1185 O VAL B 21 2.789 20.928 0.307 1.00 0.00 O ATOM 1186 CB VAL B 21 0.808 21.067 -2.149 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.254 22.483 -1.817 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.481 20.931 -3.629 1.00 0.00 C ATOM 0 H VAL B 21 0.724 18.676 -2.822 1.00 0.00 H new ATOM 0 HA VAL B 21 2.834 20.298 -2.202 1.00 0.00 H new ATOM 0 HB VAL B 21 -0.099 20.860 -1.581 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.479 23.188 -2.118 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.426 22.568 -0.744 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.177 22.708 -2.351 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -0.280 21.662 -3.902 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.381 21.107 -4.218 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.108 19.927 -3.828 1.00 0.00 H new ATOM 1198 N ASP B 22 1.362 19.204 0.487 1.00 0.00 N ATOM 1199 CA ASP B 22 1.453 19.160 1.944 1.00 0.00 C ATOM 1200 C ASP B 22 1.146 17.765 2.476 1.00 0.00 C ATOM 1201 O ASP B 22 0.790 16.864 1.715 1.00 0.00 O ATOM 1202 CB ASP B 22 0.513 20.193 2.573 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.949 19.889 2.315 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -1.433 18.855 2.816 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.607 20.687 1.617 1.00 0.00 O ATOM 0 H ASP B 22 0.741 18.505 0.078 1.00 0.00 H new ATOM 0 HA ASP B 22 2.478 19.406 2.222 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.688 20.230 3.648 1.00 0.00 H new ATOM 0 HB3 ASP B 22 0.749 21.181 2.178 1.00 0.00 H new ATOM 1210 N ALA B 23 1.293 17.588 3.785 1.00 0.00 N ATOM 1211 CA ALA B 23 1.040 16.299 4.414 1.00 0.00 C ATOM 1212 C ALA B 23 -0.397 15.850 4.202 1.00 0.00 C ATOM 1213 O ALA B 23 -0.652 14.684 3.899 1.00 0.00 O ATOM 1214 CB ALA B 23 1.366 16.359 5.898 1.00 0.00 C ATOM 0 H ALA B 23 1.586 18.322 4.430 1.00 0.00 H new ATOM 0 HA ALA B 23 1.691 15.564 3.941 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.171 15.388 6.353 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.417 16.617 6.030 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.744 17.115 6.377 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.333 16.776 4.350 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.741 16.457 4.158 1.00 0.00 C ATOM 1222 C ALA B 24 -2.983 16.021 2.724 1.00 0.00 C ATOM 1223 O ALA B 24 -3.479 14.925 2.480 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.618 17.646 4.520 1.00 0.00 C ATOM 0 H ALA B 24 -1.146 17.747 4.600 1.00 0.00 H new ATOM 0 HA ALA B 24 -3.007 15.634 4.821 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.665 17.385 4.369 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.457 17.912 5.565 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.360 18.494 3.886 1.00 0.00 H new ATOM 1230 N THR B 25 -2.596 16.868 1.775 1.00 0.00 N ATOM 1231 CA THR B 25 -2.742 16.540 0.369 1.00 0.00 C ATOM 1232 C THR B 25 -2.149 15.164 0.115 1.00 0.00 C ATOM 1233 O THR B 25 -2.766 14.316 -0.527 1.00 0.00 O ATOM 1234 CB THR B 25 -2.044 17.592 -0.492 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.685 17.722 -0.122 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.681 18.962 -0.399 1.00 0.00 C ATOM 0 H THR B 25 -2.181 17.782 1.957 1.00 0.00 H new ATOM 0 HA THR B 25 -3.799 16.530 0.103 1.00 0.00 H new ATOM 0 HB THR B 25 -2.140 17.235 -1.517 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.577 17.475 0.820 1.00 0.00 H new ATOM 0 HG21 THR B 25 -2.136 19.660 -1.034 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.718 18.904 -0.729 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.648 19.309 0.634 1.00 0.00 H new ATOM 1244 N ALA B 26 -0.958 14.940 0.666 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.297 13.653 0.538 1.00 0.00 C ATOM 1246 C ALA B 26 -1.178 12.575 1.150 1.00 0.00 C ATOM 1247 O ALA B 26 -1.518 11.590 0.497 1.00 0.00 O ATOM 1248 CB ALA B 26 1.068 13.682 1.211 1.00 0.00 C ATOM 0 H ALA B 26 -0.436 15.633 1.203 1.00 0.00 H new ATOM 0 HA ALA B 26 -0.141 13.431 -0.518 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.547 12.709 1.104 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.689 14.445 0.742 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.947 13.913 2.269 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.560 12.780 2.411 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.422 11.838 3.115 1.00 0.00 C ATOM 1256 C GLU B 27 -3.678 11.559 2.297 1.00 0.00 C ATOM 1257 O GLU B 27 -4.071 10.406 2.121 1.00 0.00 O ATOM 1258 CB GLU B 27 -2.792 12.395 4.492 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.553 11.416 5.372 1.00 0.00 C ATOM 1260 CD GLU B 27 -4.981 11.207 4.920 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -5.735 12.202 4.846 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -5.348 10.050 4.648 1.00 0.00 O ATOM 0 H GLU B 27 -1.284 13.592 2.964 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.884 10.900 3.251 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -1.880 12.697 5.007 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.396 13.293 4.359 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -3.034 10.458 5.374 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -3.552 11.781 6.399 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.293 12.623 1.785 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.494 12.494 0.971 1.00 0.00 C ATOM 1271 C LYS B 28 -5.191 11.700 -0.290 1.00 0.00 C ATOM 1272 O LYS B 28 -5.949 10.811 -0.674 1.00 0.00 O ATOM 1273 CB LYS B 28 -6.046 13.873 0.602 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.499 14.688 1.802 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.571 13.958 2.592 1.00 0.00 C ATOM 1276 CE LYS B 28 -8.028 14.769 3.795 1.00 0.00 C ATOM 1277 NZ LYS B 28 -9.084 14.066 4.574 1.00 0.00 N ATOM 0 H LYS B 28 -3.977 13.583 1.921 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.248 11.963 1.552 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.279 14.430 0.064 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.887 13.748 -0.080 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.645 14.894 2.448 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.884 15.651 1.466 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.424 13.752 1.945 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.185 12.995 2.927 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -7.174 14.970 4.442 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.408 15.734 3.459 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.367 14.653 5.384 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -9.910 13.896 3.965 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -8.715 13.157 4.918 1.00 0.00 H new ATOM 1291 N VAL B 29 -4.065 12.017 -0.924 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.654 11.320 -2.133 1.00 0.00 C ATOM 1293 C VAL B 29 -3.503 9.834 -1.853 1.00 0.00 C ATOM 1294 O VAL B 29 -3.889 8.994 -2.666 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.330 11.879 -2.692 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -1.877 11.084 -3.907 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.478 13.352 -3.041 1.00 0.00 C ATOM 0 H VAL B 29 -3.425 12.750 -0.619 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.430 11.476 -2.883 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.567 11.782 -1.920 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.941 11.497 -4.284 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.726 10.042 -3.625 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.638 11.143 -4.685 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.534 13.729 -3.434 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -3.258 13.471 -3.793 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.749 13.913 -2.146 1.00 0.00 H new ATOM 1307 N VAL B 30 -2.968 9.513 -0.680 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.803 8.127 -0.284 1.00 0.00 C ATOM 1309 C VAL B 30 -4.177 7.481 -0.154 1.00 0.00 C ATOM 1310 O VAL B 30 -4.417 6.398 -0.680 1.00 0.00 O ATOM 1311 CB VAL B 30 -2.047 7.999 1.051 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.777 6.538 1.373 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.750 8.793 1.010 1.00 0.00 C ATOM 0 H VAL B 30 -2.644 10.193 0.008 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.213 7.622 -1.049 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.672 8.412 1.842 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.242 6.467 2.320 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.723 6.001 1.449 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.172 6.097 0.581 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.230 8.690 1.962 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.117 8.414 0.208 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.973 9.845 0.830 1.00 0.00 H new ATOM 1323 N LYS B 31 -5.092 8.169 0.539 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.452 7.664 0.710 1.00 0.00 C ATOM 1325 C LYS B 31 -7.001 7.195 -0.627 1.00 0.00 C ATOM 1326 O LYS B 31 -7.508 6.083 -0.752 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.377 8.744 1.276 1.00 0.00 C ATOM 1328 CG LYS B 31 -7.003 9.214 2.667 1.00 0.00 C ATOM 1329 CD LYS B 31 -6.942 8.059 3.650 1.00 0.00 C ATOM 1330 CE LYS B 31 -8.291 7.372 3.794 1.00 0.00 C ATOM 1331 NZ LYS B 31 -8.240 6.254 4.776 1.00 0.00 N ATOM 0 H LYS B 31 -4.914 9.069 0.985 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.413 6.832 1.413 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.373 9.600 0.602 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.397 8.359 1.296 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -6.036 9.716 2.634 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -7.732 9.948 3.012 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -6.199 7.335 3.316 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -6.615 8.426 4.623 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -9.038 8.100 4.111 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -8.610 6.990 2.824 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -9.078 6.293 5.391 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -8.225 5.346 4.268 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -7.381 6.340 5.356 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.877 8.060 -1.625 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.343 7.750 -2.967 1.00 0.00 C ATOM 1347 C GLN B 32 -6.626 6.509 -3.486 1.00 0.00 C ATOM 1348 O GLN B 32 -7.221 5.661 -4.153 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.098 8.940 -3.899 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.807 8.822 -5.240 1.00 0.00 C ATOM 1351 CD GLN B 32 -9.328 8.777 -5.125 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -9.864 9.039 -3.932 1.00 0.00 O flip ATOM 1353 NE2 GLN B 32 -10.019 8.525 -6.112 1.00 0.00 N flip ATOM 0 H GLN B 32 -6.456 8.984 -1.528 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.414 7.551 -2.937 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.428 9.853 -3.403 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.026 9.040 -4.072 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.523 9.667 -5.867 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.462 7.920 -5.746 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -9.575 8.329 -7.009 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -11.036 8.512 -6.033 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.345 6.410 -3.152 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.520 5.276 -3.551 1.00 0.00 C ATOM 1364 C PHE B 33 -5.191 3.965 -3.131 1.00 0.00 C ATOM 1365 O PHE B 33 -5.588 3.157 -3.969 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.141 5.410 -2.893 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.101 4.479 -3.436 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.593 4.660 -4.711 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.620 3.426 -2.669 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.629 3.810 -5.213 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.657 2.574 -3.168 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.161 2.767 -4.442 1.00 0.00 C ATOM 0 H PHE B 33 -4.850 7.110 -2.599 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.404 5.266 -4.635 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.792 6.435 -3.015 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.245 5.234 -1.822 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -1.955 5.475 -5.319 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -2.004 3.273 -1.671 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.241 3.962 -6.209 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.292 1.757 -2.563 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.593 2.101 -4.835 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.325 3.787 -1.823 1.00 0.00 N ATOM 1383 CA PHE B 34 -5.957 2.594 -1.261 1.00 0.00 C ATOM 1384 C PHE B 34 -7.438 2.566 -1.596 1.00 0.00 C ATOM 1385 O PHE B 34 -7.995 1.518 -1.916 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.723 2.549 0.243 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.261 2.529 0.564 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.426 1.626 -0.069 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.718 3.427 1.464 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -2.073 1.614 0.192 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.364 3.418 1.733 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.542 2.512 1.093 1.00 0.00 C ATOM 0 H PHE B 34 -5.003 4.457 -1.125 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.507 1.706 -1.704 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.189 3.416 0.712 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.202 1.664 0.662 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.839 0.922 -0.776 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.358 4.141 1.961 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.431 0.904 -0.308 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -1.949 4.118 2.443 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.482 2.507 1.299 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.069 3.731 -1.548 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.481 3.848 -1.877 1.00 0.00 C ATOM 1404 C ASN B 35 -9.757 3.188 -3.225 1.00 0.00 C ATOM 1405 O ASN B 35 -10.785 2.541 -3.424 1.00 0.00 O ATOM 1406 CB ASN B 35 -9.865 5.324 -1.944 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.328 5.539 -2.250 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.873 4.964 -3.192 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -11.965 6.394 -1.465 1.00 0.00 N ATOM 0 H ASN B 35 -7.623 4.610 -1.284 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.072 3.350 -1.108 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.624 5.800 -0.993 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.263 5.816 -2.708 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -12.950 6.600 -1.629 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.470 6.846 -0.696 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.816 3.372 -4.142 1.00 0.00 N ATOM 1417 CA ASP B 36 -8.919 2.813 -5.487 1.00 0.00 C ATOM 1418 C ASP B 36 -8.211 1.461 -5.613 1.00 0.00 C ATOM 1419 O ASP B 36 -8.548 0.667 -6.490 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.357 3.795 -6.515 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.164 5.075 -6.586 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -10.370 5.000 -6.905 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -8.594 6.152 -6.321 1.00 0.00 O ATOM 0 H ASP B 36 -7.965 3.909 -3.978 1.00 0.00 H new ATOM 0 HA ASP B 36 -9.978 2.646 -5.683 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.324 4.033 -6.261 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.343 3.322 -7.497 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.243 1.189 -4.738 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.532 -0.089 -4.787 1.00 0.00 C ATOM 1430 C ASN B 37 -7.359 -1.170 -4.106 1.00 0.00 C ATOM 1431 O ASN B 37 -7.521 -2.268 -4.636 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.159 0.005 -4.109 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.214 0.960 -4.809 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -3.480 1.749 -4.029 1.00 0.00 O flip ATOM 1435 ND2 ASN B 37 -4.119 0.966 -6.037 1.00 0.00 N flip ATOM 0 H ASN B 37 -6.937 1.823 -4.000 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.379 -0.344 -5.836 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.292 0.327 -3.076 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.707 -0.986 -4.078 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -4.702 0.344 -6.597 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.457 1.593 -6.494 1.00 0.00 H new ATOM 1442 N GLY B 38 -7.875 -0.825 -2.927 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.695 -1.721 -2.124 1.00 0.00 C ATOM 1444 C GLY B 38 -9.075 -3.033 -2.791 1.00 0.00 C ATOM 1445 O GLY B 38 -8.226 -3.893 -3.023 1.00 0.00 O ATOM 0 H GLY B 38 -7.733 0.091 -2.502 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.161 -1.944 -1.200 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.609 -1.197 -1.845 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.371 -3.213 -3.020 1.00 0.00 N ATOM 1450 CA VAL B 39 -10.885 -4.461 -3.577 1.00 0.00 C ATOM 1451 C VAL B 39 -11.311 -4.375 -5.044 1.00 0.00 C ATOM 1452 O VAL B 39 -11.758 -5.378 -5.603 1.00 0.00 O ATOM 1453 CB VAL B 39 -12.102 -4.930 -2.767 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -12.562 -6.310 -3.217 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -11.794 -4.920 -1.278 1.00 0.00 C ATOM 0 H VAL B 39 -11.086 -2.511 -2.829 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.052 -5.162 -3.519 1.00 0.00 H new ATOM 0 HB VAL B 39 -12.918 -4.231 -2.951 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -13.425 -6.616 -2.626 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.838 -6.276 -4.271 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -11.753 -7.027 -3.076 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -12.670 -5.256 -0.723 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -10.958 -5.589 -1.075 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -11.533 -3.908 -0.967 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.192 -3.219 -5.684 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.598 -3.110 -7.088 1.00 0.00 C ATOM 1467 C ASP B 40 -10.474 -2.561 -7.970 1.00 0.00 C ATOM 1468 O ASP B 40 -10.720 -2.137 -9.100 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.832 -2.216 -7.207 1.00 0.00 C ATOM 1470 CG ASP B 40 -14.022 -2.769 -6.447 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -13.904 -2.959 -5.217 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -15.072 -3.010 -7.079 1.00 0.00 O ATOM 0 H ASP B 40 -10.828 -2.361 -5.271 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.834 -4.115 -7.439 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.594 -1.221 -6.830 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -13.096 -2.104 -8.259 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.248 -2.559 -7.456 1.00 0.00 N ATOM 1478 CA GLY B 41 -8.126 -2.044 -8.223 1.00 0.00 C ATOM 1479 C GLY B 41 -7.623 -3.015 -9.278 1.00 0.00 C ATOM 1480 O GLY B 41 -7.966 -4.196 -9.261 1.00 0.00 O ATOM 0 H GLY B 41 -9.011 -2.903 -6.526 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.422 -1.114 -8.707 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.310 -1.803 -7.542 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.791 -2.509 -10.189 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.216 -3.329 -11.252 1.00 0.00 C ATOM 1486 C GLU B 42 -4.843 -3.838 -10.827 1.00 0.00 C ATOM 1487 O GLU B 42 -3.860 -3.094 -10.862 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.095 -2.527 -12.553 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.419 -1.975 -13.064 1.00 0.00 C ATOM 1490 CD GLU B 42 -7.936 -0.813 -12.238 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -7.206 -0.347 -11.338 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -9.068 -0.356 -12.503 1.00 0.00 O ATOM 0 H GLU B 42 -6.500 -1.532 -10.210 1.00 0.00 H new ATOM 0 HA GLU B 42 -6.877 -4.177 -11.430 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.404 -1.699 -12.395 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.658 -3.164 -13.322 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -7.297 -1.652 -14.098 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -8.162 -2.772 -13.065 1.00 0.00 H new ATOM 1499 N TRP B 43 -4.783 -5.091 -10.396 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.533 -5.678 -9.927 1.00 0.00 C ATOM 1501 C TRP B 43 -2.866 -6.559 -10.979 1.00 0.00 C ATOM 1502 O TRP B 43 -3.441 -7.548 -11.429 1.00 0.00 O ATOM 1503 CB TRP B 43 -3.791 -6.522 -8.680 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.396 -5.767 -7.538 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -5.267 -4.713 -7.600 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.178 -6.024 -6.150 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -5.599 -4.302 -6.330 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -4.943 -5.092 -5.426 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.408 -6.954 -5.451 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -4.958 -5.065 -4.036 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.423 -6.928 -4.072 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.194 -5.990 -3.376 1.00 0.00 C ATOM 0 H TRP B 43 -5.584 -5.721 -10.361 1.00 0.00 H new ATOM 0 HA TRP B 43 -2.862 -4.849 -9.705 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -4.452 -7.347 -8.945 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -2.849 -6.961 -8.351 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -5.639 -4.269 -8.512 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -6.230 -3.535 -6.100 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -2.811 -7.682 -5.980 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.551 -4.341 -3.497 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -2.830 -7.643 -3.521 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.186 -5.996 -2.296 1.00 0.00 H new ATOM 1523 N THR B 44 -1.633 -6.209 -11.336 1.00 0.00 N ATOM 1524 CA THR B 44 -0.868 -6.989 -12.301 1.00 0.00 C ATOM 1525 C THR B 44 0.141 -7.864 -11.560 1.00 0.00 C ATOM 1526 O THR B 44 0.812 -7.401 -10.637 1.00 0.00 O ATOM 1527 CB THR B 44 -0.151 -6.069 -13.291 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.692 -5.157 -12.611 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.098 -5.264 -14.154 1.00 0.00 C ATOM 0 H THR B 44 -1.144 -5.391 -10.971 1.00 0.00 H new ATOM 0 HA THR B 44 -1.550 -7.625 -12.865 1.00 0.00 H new ATOM 0 HB THR B 44 0.426 -6.733 -13.935 1.00 0.00 H new ATOM 0 HG1 THR B 44 1.015 -5.566 -11.781 1.00 0.00 H new ATOM 0 HG21 THR B 44 -0.524 -4.633 -14.833 1.00 0.00 H new ATOM 0 HG22 THR B 44 -1.728 -5.940 -14.732 1.00 0.00 H new ATOM 0 HG23 THR B 44 -1.725 -4.638 -13.520 1.00 0.00 H new ATOM 1537 N TYR B 45 0.231 -9.132 -11.947 1.00 0.00 N ATOM 1538 CA TYR B 45 1.144 -10.065 -11.292 1.00 0.00 C ATOM 1539 C TYR B 45 2.336 -10.402 -12.185 1.00 0.00 C ATOM 1540 O TYR B 45 2.179 -10.626 -13.386 1.00 0.00 O ATOM 1541 CB TYR B 45 0.389 -11.344 -10.916 1.00 0.00 C ATOM 1542 CG TYR B 45 1.192 -12.325 -10.086 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.224 -11.896 -9.259 1.00 0.00 C ATOM 1544 CD2 TYR B 45 0.905 -13.683 -10.124 1.00 0.00 C ATOM 1545 CE1 TYR B 45 2.947 -12.794 -8.497 1.00 0.00 C ATOM 1546 CE2 TYR B 45 1.623 -14.587 -9.365 1.00 0.00 C ATOM 1547 CZ TYR B 45 2.644 -14.137 -8.553 1.00 0.00 C ATOM 1548 OH TYR B 45 3.361 -15.033 -7.793 1.00 0.00 O ATOM 0 H TYR B 45 -0.314 -9.537 -12.708 1.00 0.00 H new ATOM 0 HA TYR B 45 1.530 -9.588 -10.391 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.511 -11.071 -10.364 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.064 -11.841 -11.830 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.464 -10.844 -9.211 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.106 -14.039 -10.758 1.00 0.00 H new ATOM 0 HE1 TYR B 45 3.746 -12.445 -7.860 1.00 0.00 H new ATOM 0 HE2 TYR B 45 1.387 -15.640 -9.407 1.00 0.00 H new ATOM 0 HH TYR B 45 3.021 -15.939 -7.947 1.00 0.00 H new ATOM 1558 N ASP B 46 3.525 -10.445 -11.588 1.00 0.00 N ATOM 1559 CA ASP B 46 4.742 -10.765 -12.324 1.00 0.00 C ATOM 1560 C ASP B 46 5.450 -11.964 -11.699 1.00 0.00 C ATOM 1561 O ASP B 46 6.390 -11.807 -10.918 1.00 0.00 O ATOM 1562 CB ASP B 46 5.684 -9.558 -12.352 1.00 0.00 C ATOM 1563 CG ASP B 46 6.945 -9.826 -13.147 1.00 0.00 C ATOM 1564 OD1 ASP B 46 6.834 -10.125 -14.355 1.00 0.00 O ATOM 1565 OD2 ASP B 46 8.045 -9.736 -12.564 1.00 0.00 O ATOM 0 H ASP B 46 3.670 -10.262 -10.595 1.00 0.00 H new ATOM 0 HA ASP B 46 4.463 -11.019 -13.347 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.162 -8.703 -12.782 1.00 0.00 H new ATOM 0 HB3 ASP B 46 5.953 -9.287 -11.331 1.00 0.00 H new ATOM 1570 N ASP B 47 4.982 -13.161 -12.039 1.00 0.00 N ATOM 1571 CA ASP B 47 5.557 -14.396 -11.508 1.00 0.00 C ATOM 1572 C ASP B 47 7.082 -14.380 -11.586 1.00 0.00 C ATOM 1573 O ASP B 47 7.766 -14.904 -10.707 1.00 0.00 O ATOM 1574 CB ASP B 47 5.018 -15.604 -12.279 1.00 0.00 C ATOM 1575 CG ASP B 47 3.501 -15.646 -12.308 1.00 0.00 C ATOM 1576 OD1 ASP B 47 2.870 -14.715 -11.768 1.00 0.00 O ATOM 1577 OD2 ASP B 47 2.946 -16.608 -12.879 1.00 0.00 O ATOM 0 H ASP B 47 4.203 -13.304 -12.682 1.00 0.00 H new ATOM 0 HA ASP B 47 5.268 -14.472 -10.460 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.397 -15.577 -13.301 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.395 -16.520 -11.823 1.00 0.00 H new ATOM 1582 N ALA B 48 7.605 -13.788 -12.654 1.00 0.00 N ATOM 1583 CA ALA B 48 9.047 -13.713 -12.865 1.00 0.00 C ATOM 1584 C ALA B 48 9.780 -13.158 -11.645 1.00 0.00 C ATOM 1585 O ALA B 48 10.925 -13.526 -11.383 1.00 0.00 O ATOM 1586 CB ALA B 48 9.351 -12.866 -14.091 1.00 0.00 C ATOM 0 H ALA B 48 7.050 -13.351 -13.390 1.00 0.00 H new ATOM 0 HA ALA B 48 9.408 -14.729 -13.025 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.430 -12.816 -14.240 1.00 0.00 H new ATOM 0 HB2 ALA B 48 8.884 -13.314 -14.968 1.00 0.00 H new ATOM 0 HB3 ALA B 48 8.958 -11.860 -13.945 1.00 0.00 H new ATOM 1592 N THR B 49 9.127 -12.264 -10.908 1.00 0.00 N ATOM 1593 CA THR B 49 9.745 -11.660 -9.730 1.00 0.00 C ATOM 1594 C THR B 49 8.913 -11.882 -8.467 1.00 0.00 C ATOM 1595 O THR B 49 9.175 -11.268 -7.433 1.00 0.00 O ATOM 1596 CB THR B 49 9.952 -10.162 -9.953 1.00 0.00 C ATOM 1597 OG1 THR B 49 8.713 -9.514 -10.184 1.00 0.00 O ATOM 1598 CG2 THR B 49 10.857 -9.852 -11.128 1.00 0.00 C ATOM 0 H THR B 49 8.178 -11.943 -11.102 1.00 0.00 H new ATOM 0 HA THR B 49 10.709 -12.148 -9.584 1.00 0.00 H new ATOM 0 HB THR B 49 10.426 -9.796 -9.042 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.257 -9.939 -10.940 1.00 0.00 H new ATOM 0 HG21 THR B 49 10.962 -8.772 -11.231 1.00 0.00 H new ATOM 0 HG22 THR B 49 11.837 -10.298 -10.960 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.423 -10.263 -12.040 1.00 0.00 H new ATOM 1606 N LYS B 50 7.913 -12.759 -8.545 1.00 0.00 N ATOM 1607 CA LYS B 50 7.065 -13.039 -7.386 1.00 0.00 C ATOM 1608 C LYS B 50 6.551 -11.740 -6.766 1.00 0.00 C ATOM 1609 O LYS B 50 6.453 -11.620 -5.545 1.00 0.00 O ATOM 1610 CB LYS B 50 7.859 -13.824 -6.341 1.00 0.00 C ATOM 1611 CG LYS B 50 8.219 -15.234 -6.777 1.00 0.00 C ATOM 1612 CD LYS B 50 7.154 -16.239 -6.362 1.00 0.00 C ATOM 1613 CE LYS B 50 5.782 -15.886 -6.909 1.00 0.00 C ATOM 1614 NZ LYS B 50 5.768 -15.834 -8.397 1.00 0.00 N ATOM 0 H LYS B 50 7.672 -13.282 -9.387 1.00 0.00 H new ATOM 0 HA LYS B 50 6.212 -13.630 -7.718 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.775 -13.280 -6.110 1.00 0.00 H new ATOM 0 HB3 LYS B 50 7.278 -13.876 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS B 50 8.342 -15.260 -7.860 1.00 0.00 H new ATOM 0 HG3 LYS B 50 9.177 -15.517 -6.340 1.00 0.00 H new ATOM 0 HD2 LYS B 50 7.438 -17.231 -6.713 1.00 0.00 H new ATOM 0 HD3 LYS B 50 7.107 -16.287 -5.274 1.00 0.00 H new ATOM 0 HE2 LYS B 50 5.055 -16.622 -6.566 1.00 0.00 H new ATOM 0 HE3 LYS B 50 5.471 -14.921 -6.510 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 4.836 -15.508 -8.724 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 6.502 -15.175 -8.728 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 5.956 -16.783 -8.779 1.00 0.00 H new ATOM 1628 N THR B 51 6.248 -10.761 -7.615 1.00 0.00 N ATOM 1629 CA THR B 51 5.774 -9.465 -7.144 1.00 0.00 C ATOM 1630 C THR B 51 4.424 -9.098 -7.755 1.00 0.00 C ATOM 1631 O THR B 51 4.160 -9.393 -8.921 1.00 0.00 O ATOM 1632 CB THR B 51 6.809 -8.390 -7.486 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.041 -8.659 -6.842 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.385 -6.992 -7.096 1.00 0.00 C ATOM 0 H THR B 51 6.322 -10.841 -8.629 1.00 0.00 H new ATOM 0 HA THR B 51 5.641 -9.526 -6.064 1.00 0.00 H new ATOM 0 HB THR B 51 6.909 -8.428 -8.571 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.376 -9.534 -7.129 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.168 -6.285 -7.369 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.464 -6.732 -7.617 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.217 -6.950 -6.020 1.00 0.00 H new ATOM 1642 N PHE B 52 3.572 -8.444 -6.961 1.00 0.00 N ATOM 1643 CA PHE B 52 2.255 -8.037 -7.442 1.00 0.00 C ATOM 1644 C PHE B 52 2.140 -6.519 -7.572 1.00 0.00 C ATOM 1645 O PHE B 52 1.824 -5.820 -6.609 1.00 0.00 O ATOM 1646 CB PHE B 52 1.155 -8.526 -6.509 1.00 0.00 C ATOM 1647 CG PHE B 52 1.092 -10.017 -6.339 1.00 0.00 C ATOM 1648 CD1 PHE B 52 0.342 -10.795 -7.209 1.00 0.00 C ATOM 1649 CD2 PHE B 52 1.769 -10.641 -5.305 1.00 0.00 C ATOM 1650 CE1 PHE B 52 0.271 -12.166 -7.047 1.00 0.00 C ATOM 1651 CE2 PHE B 52 1.703 -12.011 -5.139 1.00 0.00 C ATOM 1652 CZ PHE B 52 0.953 -12.775 -6.012 1.00 0.00 C ATOM 0 H PHE B 52 3.770 -8.189 -5.993 1.00 0.00 H new ATOM 0 HA PHE B 52 2.135 -8.489 -8.426 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.298 -8.068 -5.530 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.194 -8.176 -6.887 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -0.192 -10.325 -8.021 1.00 0.00 H new ATOM 0 HD2 PHE B 52 2.357 -10.049 -4.619 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -0.318 -12.761 -7.730 1.00 0.00 H new ATOM 0 HE2 PHE B 52 2.237 -12.484 -4.328 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.900 -13.846 -5.885 1.00 0.00 H new ATOM 1662 N THR B 53 2.389 -6.034 -8.774 1.00 0.00 N ATOM 1663 CA THR B 53 2.306 -4.601 -9.053 1.00 0.00 C ATOM 1664 C THR B 53 0.859 -4.126 -9.085 1.00 0.00 C ATOM 1665 O THR B 53 0.023 -4.685 -9.796 1.00 0.00 O ATOM 1666 CB THR B 53 3.013 -4.238 -10.363 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.783 -5.222 -11.354 1.00 0.00 O ATOM 1668 CG2 THR B 53 4.507 -4.049 -10.211 1.00 0.00 C ATOM 0 H THR B 53 2.651 -6.606 -9.577 1.00 0.00 H new ATOM 0 HA THR B 53 2.819 -4.089 -8.239 1.00 0.00 H new ATOM 0 HB THR B 53 2.583 -3.283 -10.665 1.00 0.00 H new ATOM 0 HG1 THR B 53 2.341 -4.812 -12.126 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.942 -3.794 -11.177 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.702 -3.244 -9.502 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.955 -4.972 -9.844 1.00 0.00 H new ATOM 1676 N VAL B 54 0.579 -3.082 -8.314 1.00 0.00 N ATOM 1677 CA VAL B 54 -0.758 -2.508 -8.242 1.00 0.00 C ATOM 1678 C VAL B 54 -0.767 -1.115 -8.862 1.00 0.00 C ATOM 1679 O VAL B 54 -0.177 -0.181 -8.321 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.265 -2.431 -6.785 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -2.657 -1.820 -6.728 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.261 -3.812 -6.148 1.00 0.00 C ATOM 0 H VAL B 54 1.267 -2.613 -7.725 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.428 -3.161 -8.801 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.589 -1.788 -6.222 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -2.993 -1.776 -5.692 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -2.629 -0.813 -7.144 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.347 -2.433 -7.308 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.621 -3.740 -5.122 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -1.913 -4.476 -6.715 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.246 -4.211 -6.150 1.00 0.00 H new ATOM 1692 N THR B 55 -1.432 -0.986 -10.006 1.00 0.00 N ATOM 1693 CA THR B 55 -1.502 0.294 -10.701 1.00 0.00 C ATOM 1694 C THR B 55 -2.859 0.955 -10.498 1.00 0.00 C ATOM 1695 O THR B 55 -3.892 0.402 -10.875 1.00 0.00 O ATOM 1696 CB THR B 55 -1.228 0.107 -12.193 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.012 -0.592 -12.394 1.00 0.00 O ATOM 1698 CG2 THR B 55 -1.126 1.417 -12.942 1.00 0.00 C ATOM 0 H THR B 55 -1.927 -1.748 -10.469 1.00 0.00 H new ATOM 0 HA THR B 55 -0.737 0.946 -10.279 1.00 0.00 H new ATOM 0 HB THR B 55 -2.077 -0.457 -12.579 1.00 0.00 H new ATOM 0 HG1 THR B 55 0.146 -0.704 -13.355 1.00 0.00 H new ATOM 0 HG21 THR B 55 -0.931 1.219 -13.996 1.00 0.00 H new ATOM 0 HG22 THR B 55 -2.062 1.966 -12.843 1.00 0.00 H new ATOM 0 HG23 THR B 55 -0.311 2.011 -12.527 1.00 0.00 H new ATOM 1706 N GLU B 56 -2.853 2.141 -9.893 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.093 2.868 -9.636 1.00 0.00 C ATOM 1708 C GLU B 56 -4.618 3.510 -10.915 1.00 0.00 C ATOM 1709 O GLU B 56 -5.849 3.700 -11.017 1.00 0.00 O ATOM 1710 CB GLU B 56 -3.874 3.930 -8.555 1.00 0.00 C ATOM 1711 CG GLU B 56 -2.955 5.068 -8.972 1.00 0.00 C ATOM 1712 CD GLU B 56 -3.705 6.256 -9.551 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -4.383 6.090 -10.585 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -3.613 7.355 -8.965 1.00 0.00 O ATOM 1715 OXT GLU B 56 -3.797 3.820 -11.802 1.00 0.00 O ATOM 0 H GLU B 56 -2.009 2.616 -9.574 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.839 2.158 -9.280 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -4.840 4.345 -8.269 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.459 3.450 -7.669 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -2.377 5.396 -8.108 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -2.243 4.700 -9.711 1.00 0.00 H new