USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 844 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 LYS NZ :NH3+ -139:sc= -1.41! (180deg=-5.42!) USER MOD Set 1.2: B 49 THR OG1 : rot -91:sc= 0.00445 USER MOD Set 1.3: B 51 THR OG1 : rot 57:sc= 1.84 USER MOD Set 2.1: B 44 THR OG1 : rot 43:sc= 0.818 USER MOD Set 2.2: B 53 THR OG1 : rot 77:sc= 1.17 USER MOD Set 3.1: A 49 THR OG1 : rot -93:sc= 0.00448 USER MOD Set 3.2: A 51 THR OG1 : rot 57:sc= 1.85 USER MOD Set 3.3: B 4 LYS NZ :NH3+ -131:sc= -1.4! (180deg=-5.41!) USER MOD Set 4.1: A 44 THR OG1 : rot 28:sc= 0.692 USER MOD Set 4.2: A 53 THR OG1 : rot 90:sc= 1.04 USER MOD Single : A 1 MET CE :methyl -144:sc= -0.166 (180deg=-0.797) USER MOD Single : A 1 MET N :NH3+ -166:sc= 0 (180deg=-0.215) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= -0.905 USER MOD Single : A 8 ASN : amide:sc= -4.9! C(o=-4.9!,f=-9.1!) USER MOD Single : A 10 LYS NZ :NH3+ -143:sc= 1.22 (180deg=-0.295) USER MOD Single : A 11 THR OG1 : rot -140:sc= -1.68 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 160:sc= -5.07! USER MOD Single : A 17 THR OG1 : rot 37:sc= 0.193 USER MOD Single : A 18 THR OG1 : rot 29:sc= 0.465 USER MOD Single : A 25 THR OG1 : rot -30:sc= -2.04! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -116:sc= 1.2 (180deg=0.413) USER MOD Single : A 32 GLN :FLIP amide:sc= -2.49 F(o=-3.9,f=-2.5) USER MOD Single : A 35 ASN : amide:sc= -5.29! C(o=-5.3!,f=-4.8!) USER MOD Single : A 37 ASN : amide:sc= -5.91! X(o=-5.9!,f=-5.8) USER MOD Single : A 45 TYR OH : rot 60:sc= -0.391 USER MOD Single : A 50 LYS NZ :NH3+ 165:sc= -0.0592 (180deg=-0.303) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -144:sc= -0.19 (180deg=-0.875) USER MOD Single : B 1 MET N :NH3+ -166:sc= -0.0131 (180deg=-0.225) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 3 TYR OH : rot 180:sc= -0.876 USER MOD Single : B 8 ASN : amide:sc= -4.89! C(o=-4.9!,f=-9.2!) USER MOD Single : B 10 LYS NZ :NH3+ -129:sc= 1.2 (180deg=-0.274) USER MOD Single : B 11 THR OG1 : rot -140:sc= -1.68 USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 THR OG1 : rot -160:sc= -5.11! USER MOD Single : B 17 THR OG1 : rot 28:sc= 0.245 USER MOD Single : B 18 THR OG1 : rot 29:sc= 0.46 USER MOD Single : B 25 THR OG1 : rot -28:sc= -2.06! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ -115:sc= 1.07 (180deg=0.347) USER MOD Single : B 32 GLN :FLIP amide:sc= -2.5 F(o=-3.9,f=-2.5) USER MOD Single : B 35 ASN : amide:sc= -5.26! C(o=-5.3!,f=-5!) USER MOD Single : B 37 ASN : amide:sc= -6.09! X(o=-6.1!,f=-5.8) USER MOD Single : B 45 TYR OH : rot 62:sc= -0.391 USER MOD Single : B 50 LYS NZ :NH3+ 165:sc= -0.0412 (180deg=-0.322) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.912 -19.175 2.380 1.00 0.00 N ATOM 2 CA MET A 1 6.400 -18.389 1.217 1.00 0.00 C ATOM 3 C MET A 1 6.075 -16.908 1.370 1.00 0.00 C ATOM 4 O MET A 1 4.966 -16.541 1.760 1.00 0.00 O ATOM 5 CB MET A 1 5.747 -18.938 -0.054 1.00 0.00 C ATOM 6 CG MET A 1 6.156 -20.362 -0.387 1.00 0.00 C ATOM 7 SD MET A 1 7.921 -20.516 -0.720 1.00 0.00 S ATOM 8 CE MET A 1 8.101 -19.409 -2.117 1.00 0.00 C ATOM 0 H1 MET A 1 6.346 -20.120 2.367 1.00 0.00 H new ATOM 0 H2 MET A 1 6.170 -18.687 3.262 1.00 0.00 H new ATOM 0 H3 MET A 1 4.878 -19.268 2.326 1.00 0.00 H new ATOM 0 HA MET A 1 7.484 -18.483 1.158 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.664 -18.898 0.059 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.004 -18.291 -0.892 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.888 -21.017 0.442 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.595 -20.703 -1.257 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.839 -19.814 -2.809 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.143 -19.307 -2.627 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.431 -18.431 -1.766 1.00 0.00 H new ATOM 20 N GLN A 2 7.045 -16.062 1.048 1.00 0.00 N ATOM 21 CA GLN A 2 6.866 -14.620 1.136 1.00 0.00 C ATOM 22 C GLN A 2 6.789 -14.015 -0.260 1.00 0.00 C ATOM 23 O GLN A 2 7.441 -14.492 -1.189 1.00 0.00 O ATOM 24 CB GLN A 2 8.014 -13.983 1.922 1.00 0.00 C ATOM 25 CG GLN A 2 7.892 -12.475 2.064 1.00 0.00 C ATOM 26 CD GLN A 2 9.048 -11.866 2.834 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.207 -11.998 2.441 1.00 0.00 O ATOM 28 NE2 GLN A 2 8.737 -11.195 3.936 1.00 0.00 N ATOM 0 H GLN A 2 7.967 -16.352 0.722 1.00 0.00 H new ATOM 0 HA GLN A 2 5.932 -14.419 1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.056 -14.431 2.915 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.956 -14.218 1.427 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.842 -12.023 1.073 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.957 -12.236 2.571 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.762 -11.111 4.224 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.473 -10.763 4.495 1.00 0.00 H new ATOM 37 N TYR A 3 5.991 -12.963 -0.406 1.00 0.00 N ATOM 38 CA TYR A 3 5.837 -12.304 -1.694 1.00 0.00 C ATOM 39 C TYR A 3 6.015 -10.800 -1.553 1.00 0.00 C ATOM 40 O TYR A 3 5.672 -10.218 -0.522 1.00 0.00 O ATOM 41 CB TYR A 3 4.464 -12.614 -2.292 1.00 0.00 C ATOM 42 CG TYR A 3 4.234 -14.087 -2.556 1.00 0.00 C ATOM 43 CD1 TYR A 3 3.993 -14.971 -1.511 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.255 -14.592 -3.851 1.00 0.00 C ATOM 45 CE1 TYR A 3 3.781 -16.316 -1.749 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.044 -15.936 -4.096 1.00 0.00 C ATOM 47 CZ TYR A 3 3.807 -16.793 -3.042 1.00 0.00 C ATOM 48 OH TYR A 3 3.596 -18.132 -3.282 1.00 0.00 O ATOM 0 H TYR A 3 5.443 -12.551 0.349 1.00 0.00 H new ATOM 0 HA TYR A 3 6.608 -12.684 -2.364 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.692 -12.250 -1.614 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.352 -12.065 -3.227 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.971 -14.601 -0.497 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.439 -13.924 -4.679 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.596 -16.990 -0.926 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.065 -16.313 -5.108 1.00 0.00 H new ATOM 0 HH TYR A 3 3.646 -18.303 -4.246 1.00 0.00 H new ATOM 58 N LYS A 4 6.553 -10.172 -2.592 1.00 0.00 N ATOM 59 CA LYS A 4 6.770 -8.732 -2.576 1.00 0.00 C ATOM 60 C LYS A 4 5.728 -8.020 -3.427 1.00 0.00 C ATOM 61 O LYS A 4 5.715 -8.150 -4.650 1.00 0.00 O ATOM 62 CB LYS A 4 8.176 -8.397 -3.079 1.00 0.00 C ATOM 63 CG LYS A 4 8.484 -6.909 -3.061 1.00 0.00 C ATOM 64 CD LYS A 4 9.936 -6.616 -3.424 1.00 0.00 C ATOM 65 CE LYS A 4 10.262 -7.014 -4.858 1.00 0.00 C ATOM 66 NZ LYS A 4 10.319 -8.492 -5.040 1.00 0.00 N ATOM 0 H LYS A 4 6.846 -10.636 -3.452 1.00 0.00 H new ATOM 0 HA LYS A 4 6.672 -8.386 -1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.908 -8.920 -2.464 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.289 -8.772 -4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.826 -6.395 -3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.271 -6.508 -2.070 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.135 -5.553 -3.290 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.595 -7.152 -2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.510 -6.597 -5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.219 -6.579 -5.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.119 -8.735 -5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.444 -8.951 -4.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.434 -8.823 -5.474 1.00 0.00 H new ATOM 80 N VAL A 5 4.861 -7.257 -2.772 1.00 0.00 N ATOM 81 CA VAL A 5 3.821 -6.517 -3.465 1.00 0.00 C ATOM 82 C VAL A 5 4.281 -5.087 -3.722 1.00 0.00 C ATOM 83 O VAL A 5 4.789 -4.414 -2.832 1.00 0.00 O ATOM 84 CB VAL A 5 2.501 -6.508 -2.668 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.428 -5.717 -3.406 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.030 -7.930 -2.402 1.00 0.00 C ATOM 0 H VAL A 5 4.860 -7.136 -1.759 1.00 0.00 H new ATOM 0 HA VAL A 5 3.635 -7.017 -4.415 1.00 0.00 H new ATOM 0 HB VAL A 5 2.684 -6.020 -1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.506 -5.725 -2.825 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.763 -4.689 -3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.247 -6.171 -4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.097 -7.905 -1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.868 -8.443 -3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.787 -8.462 -1.827 1.00 0.00 H new ATOM 96 N ILE A 6 4.110 -4.641 -4.953 1.00 0.00 N ATOM 97 CA ILE A 6 4.512 -3.304 -5.352 1.00 0.00 C ATOM 98 C ILE A 6 3.290 -2.429 -5.612 1.00 0.00 C ATOM 99 O ILE A 6 2.385 -2.813 -6.350 1.00 0.00 O ATOM 100 CB ILE A 6 5.397 -3.359 -6.616 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.644 -4.203 -6.350 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.790 -1.963 -7.069 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.581 -4.290 -7.536 1.00 0.00 C ATOM 0 H ILE A 6 3.690 -5.192 -5.702 1.00 0.00 H new ATOM 0 HA ILE A 6 5.088 -2.867 -4.537 1.00 0.00 H new ATOM 0 HB ILE A 6 4.820 -3.823 -7.416 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.183 -3.782 -5.502 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.337 -5.209 -6.065 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.413 -2.032 -7.961 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.892 -1.388 -7.297 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.347 -1.466 -6.275 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.443 -4.904 -7.275 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.058 -4.739 -8.380 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.917 -3.290 -7.808 1.00 0.00 H new ATOM 115 N LEU A 7 3.265 -1.256 -4.990 1.00 0.00 N ATOM 116 CA LEU A 7 2.146 -0.338 -5.145 1.00 0.00 C ATOM 117 C LEU A 7 2.546 0.863 -6.002 1.00 0.00 C ATOM 118 O LEU A 7 3.126 1.831 -5.506 1.00 0.00 O ATOM 119 CB LEU A 7 1.658 0.115 -3.765 1.00 0.00 C ATOM 120 CG LEU A 7 1.582 -0.998 -2.722 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.030 -0.459 -1.412 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.733 -2.152 -3.243 1.00 0.00 C ATOM 0 H LEU A 7 4.006 -0.920 -4.375 1.00 0.00 H new ATOM 0 HA LEU A 7 1.332 -0.853 -5.655 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.324 0.896 -3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.670 0.563 -3.872 1.00 0.00 H new ATOM 0 HG LEU A 7 2.587 -1.375 -2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.982 -1.264 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.682 0.332 -1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.030 -0.058 -1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.687 -2.939 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.274 -1.795 -3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.179 -2.549 -4.155 1.00 0.00 H new ATOM 134 N ASN A 8 2.238 0.783 -7.296 1.00 0.00 N ATOM 135 CA ASN A 8 2.570 1.853 -8.237 1.00 0.00 C ATOM 136 C ASN A 8 1.342 2.658 -8.639 1.00 0.00 C ATOM 137 O ASN A 8 0.474 2.167 -9.349 1.00 0.00 O ATOM 138 CB ASN A 8 3.232 1.277 -9.491 1.00 0.00 C ATOM 139 CG ASN A 8 4.670 0.878 -9.251 1.00 0.00 C ATOM 140 OD1 ASN A 8 4.978 0.184 -8.287 1.00 0.00 O ATOM 141 ND2 ASN A 8 5.561 1.307 -10.137 1.00 0.00 N ATOM 0 H ASN A 8 1.758 -0.013 -7.717 1.00 0.00 H new ATOM 0 HA ASN A 8 3.264 2.522 -7.728 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.668 0.408 -9.830 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.191 2.015 -10.292 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.545 1.061 -10.030 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.261 1.882 -10.924 1.00 0.00 H new ATOM 148 N GLY A 9 1.289 3.906 -8.196 1.00 0.00 N ATOM 149 CA GLY A 9 0.173 4.767 -8.537 1.00 0.00 C ATOM 150 C GLY A 9 0.622 5.986 -9.308 1.00 0.00 C ATOM 151 O GLY A 9 1.753 6.042 -9.788 1.00 0.00 O ATOM 0 H GLY A 9 1.999 4.339 -7.606 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.550 4.207 -9.130 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.336 5.080 -7.626 1.00 0.00 H new ATOM 155 N LYS A 10 -0.258 6.973 -9.422 1.00 0.00 N ATOM 156 CA LYS A 10 0.073 8.197 -10.132 1.00 0.00 C ATOM 157 C LYS A 10 0.820 9.154 -9.207 1.00 0.00 C ATOM 158 O LYS A 10 1.926 9.598 -9.513 1.00 0.00 O ATOM 159 CB LYS A 10 -1.194 8.866 -10.667 1.00 0.00 C ATOM 160 CG LYS A 10 -1.961 8.009 -11.661 1.00 0.00 C ATOM 161 CD LYS A 10 -3.197 8.728 -12.178 1.00 0.00 C ATOM 162 CE LYS A 10 -4.161 9.065 -11.051 1.00 0.00 C ATOM 163 NZ LYS A 10 -4.632 7.843 -10.340 1.00 0.00 N ATOM 0 H LYS A 10 -1.201 6.948 -9.033 1.00 0.00 H new ATOM 0 HA LYS A 10 0.715 7.945 -10.976 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.848 9.109 -9.829 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.924 9.808 -11.145 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.312 7.751 -12.498 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.255 7.073 -11.186 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.899 9.644 -12.689 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.701 8.102 -12.914 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.671 9.732 -10.341 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.018 9.603 -11.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.631 7.959 -10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.534 7.018 -10.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.060 7.698 -9.483 1.00 0.00 H new ATOM 177 N THR A 11 0.196 9.467 -8.075 1.00 0.00 N ATOM 178 CA THR A 11 0.775 10.366 -7.092 1.00 0.00 C ATOM 179 C THR A 11 1.391 9.592 -5.930 1.00 0.00 C ATOM 180 O THR A 11 1.969 10.184 -5.019 1.00 0.00 O ATOM 181 CB THR A 11 -0.304 11.313 -6.569 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.499 10.602 -6.292 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.638 12.434 -7.531 1.00 0.00 C ATOM 0 H THR A 11 -0.722 9.104 -7.817 1.00 0.00 H new ATOM 0 HA THR A 11 1.567 10.938 -7.575 1.00 0.00 H new ATOM 0 HB THR A 11 0.110 11.755 -5.663 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.270 11.136 -6.576 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.411 13.068 -7.097 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.255 13.029 -7.721 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.999 12.013 -8.469 1.00 0.00 H new ATOM 191 N LEU A 12 1.262 8.269 -5.960 1.00 0.00 N ATOM 192 CA LEU A 12 1.804 7.434 -4.901 1.00 0.00 C ATOM 193 C LEU A 12 2.498 6.199 -5.466 1.00 0.00 C ATOM 194 O LEU A 12 1.979 5.533 -6.361 1.00 0.00 O ATOM 195 CB LEU A 12 0.694 7.028 -3.929 1.00 0.00 C ATOM 196 CG LEU A 12 1.143 6.161 -2.763 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.358 6.780 -2.102 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.012 5.984 -1.760 1.00 0.00 C ATOM 0 H LEU A 12 0.788 7.757 -6.704 1.00 0.00 H new ATOM 0 HA LEU A 12 2.552 8.016 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.231 7.932 -3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.076 6.493 -4.484 1.00 0.00 H new ATOM 0 HG LEU A 12 1.414 5.174 -3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.676 6.155 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.168 6.856 -2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.105 7.775 -1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.353 5.361 -0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.292 6.959 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.836 5.505 -2.249 1.00 0.00 H new ATOM 210 N LYS A 13 3.672 5.899 -4.924 1.00 0.00 N ATOM 211 CA LYS A 13 4.450 4.740 -5.352 1.00 0.00 C ATOM 212 C LYS A 13 5.198 4.134 -4.171 1.00 0.00 C ATOM 213 O LYS A 13 5.602 4.850 -3.257 1.00 0.00 O ATOM 214 CB LYS A 13 5.438 5.130 -6.454 1.00 0.00 C ATOM 215 CG LYS A 13 4.772 5.687 -7.702 1.00 0.00 C ATOM 216 CD LYS A 13 5.795 6.052 -8.766 1.00 0.00 C ATOM 217 CE LYS A 13 6.771 7.105 -8.267 1.00 0.00 C ATOM 218 NZ LYS A 13 7.773 7.473 -9.308 1.00 0.00 N ATOM 0 H LYS A 13 4.110 6.446 -4.182 1.00 0.00 H new ATOM 0 HA LYS A 13 3.760 3.996 -5.750 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.132 5.873 -6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.028 4.255 -6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.076 4.951 -8.103 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.187 6.569 -7.440 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.344 5.159 -9.065 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.281 6.423 -9.653 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.220 7.995 -7.963 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.287 6.731 -7.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.420 8.193 -8.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.316 6.629 -9.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.283 7.854 -10.143 1.00 0.00 H new ATOM 232 N GLY A 14 5.387 2.818 -4.190 1.00 0.00 N ATOM 233 CA GLY A 14 6.092 2.170 -3.099 1.00 0.00 C ATOM 234 C GLY A 14 6.224 0.670 -3.270 1.00 0.00 C ATOM 235 O GLY A 14 5.908 0.123 -4.327 1.00 0.00 O ATOM 0 H GLY A 14 5.069 2.195 -4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.087 2.606 -3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.569 2.376 -2.165 1.00 0.00 H new ATOM 239 N GLU A 15 6.690 0.007 -2.213 1.00 0.00 N ATOM 240 CA GLU A 15 6.868 -1.441 -2.222 1.00 0.00 C ATOM 241 C GLU A 15 6.418 -2.044 -0.893 1.00 0.00 C ATOM 242 O GLU A 15 6.494 -1.395 0.150 1.00 0.00 O ATOM 243 CB GLU A 15 8.330 -1.810 -2.491 1.00 0.00 C ATOM 244 CG GLU A 15 8.857 -1.314 -3.828 1.00 0.00 C ATOM 245 CD GLU A 15 9.116 0.181 -3.844 1.00 0.00 C ATOM 246 OE1 GLU A 15 8.988 0.821 -2.780 1.00 0.00 O ATOM 247 OE2 GLU A 15 9.463 0.712 -4.920 1.00 0.00 O ATOM 0 H GLU A 15 6.952 0.455 -1.335 1.00 0.00 H new ATOM 0 HA GLU A 15 6.253 -1.849 -3.024 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.950 -1.401 -1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.434 -2.894 -2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.781 -1.840 -4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.139 -1.561 -4.610 1.00 0.00 H new ATOM 254 N THR A 16 5.943 -3.284 -0.940 1.00 0.00 N ATOM 255 CA THR A 16 5.470 -3.973 0.254 1.00 0.00 C ATOM 256 C THR A 16 5.652 -5.485 0.120 1.00 0.00 C ATOM 257 O THR A 16 5.972 -5.981 -0.957 1.00 0.00 O ATOM 258 CB THR A 16 4.005 -3.615 0.519 1.00 0.00 C ATOM 259 OG1 THR A 16 3.400 -4.582 1.338 1.00 0.00 O ATOM 260 CG2 THR A 16 3.170 -3.482 -0.738 1.00 0.00 C ATOM 0 H THR A 16 5.875 -3.834 -1.796 1.00 0.00 H new ATOM 0 HA THR A 16 6.066 -3.645 1.106 1.00 0.00 H new ATOM 0 HB THR A 16 4.034 -2.641 1.008 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.600 -4.202 1.757 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.145 -3.227 -0.469 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.585 -2.696 -1.369 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.178 -4.427 -1.282 1.00 0.00 H new ATOM 268 N THR A 17 5.472 -6.218 1.222 1.00 0.00 N ATOM 269 CA THR A 17 5.644 -7.671 1.206 1.00 0.00 C ATOM 270 C THR A 17 4.642 -8.395 2.111 1.00 0.00 C ATOM 271 O THR A 17 4.591 -8.155 3.319 1.00 0.00 O ATOM 272 CB THR A 17 7.066 -8.033 1.630 1.00 0.00 C ATOM 273 OG1 THR A 17 7.357 -7.502 2.910 1.00 0.00 O ATOM 274 CG2 THR A 17 8.124 -7.532 0.672 1.00 0.00 C ATOM 0 H THR A 17 5.209 -5.832 2.129 1.00 0.00 H new ATOM 0 HA THR A 17 5.459 -8.001 0.184 1.00 0.00 H new ATOM 0 HB THR A 17 7.096 -9.123 1.638 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.557 -7.551 3.474 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.110 -7.824 1.034 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.956 -7.965 -0.314 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.069 -6.445 0.605 1.00 0.00 H new ATOM 282 N THR A 18 3.868 -9.301 1.515 1.00 0.00 N ATOM 283 CA THR A 18 2.883 -10.094 2.249 1.00 0.00 C ATOM 284 C THR A 18 3.321 -11.557 2.293 1.00 0.00 C ATOM 285 O THR A 18 3.924 -12.059 1.344 1.00 0.00 O ATOM 286 CB THR A 18 1.507 -9.990 1.580 1.00 0.00 C ATOM 287 OG1 THR A 18 0.518 -10.589 2.393 1.00 0.00 O ATOM 288 CG2 THR A 18 1.444 -10.652 0.218 1.00 0.00 C ATOM 0 H THR A 18 3.905 -9.505 0.516 1.00 0.00 H new ATOM 0 HA THR A 18 2.813 -9.706 3.265 1.00 0.00 H new ATOM 0 HB THR A 18 1.328 -8.923 1.450 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.781 -10.517 3.334 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.442 -10.539 -0.195 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.167 -10.182 -0.449 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.678 -11.712 0.317 1.00 0.00 H new ATOM 296 N GLU A 19 3.013 -12.240 3.388 1.00 0.00 N ATOM 297 CA GLU A 19 3.376 -13.648 3.534 1.00 0.00 C ATOM 298 C GLU A 19 2.140 -14.529 3.404 1.00 0.00 C ATOM 299 O GLU A 19 1.208 -14.423 4.201 1.00 0.00 O ATOM 300 CB GLU A 19 4.050 -13.887 4.886 1.00 0.00 C ATOM 301 CG GLU A 19 4.468 -15.333 5.103 1.00 0.00 C ATOM 302 CD GLU A 19 5.145 -15.552 6.443 1.00 0.00 C ATOM 303 OE1 GLU A 19 5.287 -14.573 7.206 1.00 0.00 O ATOM 304 OE2 GLU A 19 5.533 -16.704 6.730 1.00 0.00 O ATOM 0 H GLU A 19 2.515 -11.846 4.186 1.00 0.00 H new ATOM 0 HA GLU A 19 4.078 -13.908 2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.929 -13.247 4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.367 -13.590 5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.590 -15.975 5.035 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.146 -15.635 4.304 1.00 0.00 H new ATOM 311 N ALA A 20 2.126 -15.394 2.391 1.00 0.00 N ATOM 312 CA ALA A 20 0.988 -16.277 2.168 1.00 0.00 C ATOM 313 C ALA A 20 1.414 -17.610 1.554 1.00 0.00 C ATOM 314 O ALA A 20 2.416 -17.692 0.843 1.00 0.00 O ATOM 315 CB ALA A 20 -0.034 -15.590 1.278 1.00 0.00 C ATOM 0 H ALA A 20 2.885 -15.500 1.718 1.00 0.00 H new ATOM 0 HA ALA A 20 0.539 -16.493 3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.881 -16.256 1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.379 -14.675 1.759 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.424 -15.346 0.320 1.00 0.00 H new ATOM 321 N VAL A 21 0.649 -18.652 1.861 1.00 0.00 N ATOM 322 CA VAL A 21 0.933 -20.001 1.374 1.00 0.00 C ATOM 323 C VAL A 21 1.147 -20.029 -0.140 1.00 0.00 C ATOM 324 O VAL A 21 1.819 -20.921 -0.661 1.00 0.00 O ATOM 325 CB VAL A 21 -0.213 -20.969 1.731 1.00 0.00 C ATOM 326 CG1 VAL A 21 0.147 -22.394 1.338 1.00 0.00 C ATOM 327 CG2 VAL A 21 -0.545 -20.881 3.212 1.00 0.00 C ATOM 0 H VAL A 21 -0.181 -18.589 2.451 1.00 0.00 H new ATOM 0 HA VAL A 21 1.853 -20.320 1.865 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.099 -20.677 1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.674 -23.062 1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.327 -22.441 0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.047 -22.702 1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.356 -21.571 3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.335 -21.144 3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.853 -19.864 3.456 1.00 0.00 H new ATOM 337 N ASP A 22 0.585 -19.052 -0.842 1.00 0.00 N ATOM 338 CA ASP A 22 0.733 -18.977 -2.294 1.00 0.00 C ATOM 339 C ASP A 22 0.439 -17.574 -2.817 1.00 0.00 C ATOM 340 O ASP A 22 0.064 -16.683 -2.056 1.00 0.00 O ATOM 341 CB ASP A 22 -0.177 -20.001 -2.981 1.00 0.00 C ATOM 342 CG ASP A 22 -1.649 -19.725 -2.746 1.00 0.00 C ATOM 343 OD1 ASP A 22 -2.131 -18.664 -3.193 1.00 0.00 O ATOM 344 OD2 ASP A 22 -2.318 -20.569 -2.113 1.00 0.00 O ATOM 0 H ASP A 22 0.025 -18.303 -0.434 1.00 0.00 H new ATOM 0 HA ASP A 22 1.771 -19.211 -2.531 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.023 -19.997 -4.053 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.064 -20.999 -2.615 1.00 0.00 H new ATOM 349 N ALA A 23 0.621 -17.384 -4.121 1.00 0.00 N ATOM 350 CA ALA A 23 0.384 -16.088 -4.747 1.00 0.00 C ATOM 351 C ALA A 23 -1.055 -15.629 -4.553 1.00 0.00 C ATOM 352 O ALA A 23 -1.309 -14.459 -4.266 1.00 0.00 O ATOM 353 CB ALA A 23 0.731 -16.143 -6.228 1.00 0.00 C ATOM 0 H ALA A 23 0.932 -18.112 -4.764 1.00 0.00 H new ATOM 0 HA ALA A 23 1.032 -15.359 -4.260 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.549 -15.168 -6.681 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.782 -16.407 -6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.111 -16.893 -6.719 1.00 0.00 H new ATOM 359 N ALA A 24 -1.994 -16.555 -4.698 1.00 0.00 N ATOM 360 CA ALA A 24 -3.404 -16.231 -4.524 1.00 0.00 C ATOM 361 C ALA A 24 -3.661 -15.788 -3.093 1.00 0.00 C ATOM 362 O ALA A 24 -4.199 -14.707 -2.858 1.00 0.00 O ATOM 363 CB ALA A 24 -4.278 -17.422 -4.887 1.00 0.00 C ATOM 0 H ALA A 24 -1.807 -17.530 -4.934 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.661 -15.411 -5.194 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.327 -17.159 -4.750 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.106 -17.696 -5.928 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.029 -18.266 -4.244 1.00 0.00 H new ATOM 369 N THR A 25 -3.246 -16.612 -2.134 1.00 0.00 N ATOM 370 CA THR A 25 -3.406 -16.277 -0.732 1.00 0.00 C ATOM 371 C THR A 25 -2.802 -14.906 -0.478 1.00 0.00 C ATOM 372 O THR A 25 -3.420 -14.047 0.150 1.00 0.00 O ATOM 373 CB THR A 25 -2.728 -17.333 0.141 1.00 0.00 C ATOM 374 OG1 THR A 25 -1.363 -17.466 -0.204 1.00 0.00 O ATOM 375 CG2 THR A 25 -3.367 -18.700 0.035 1.00 0.00 C ATOM 0 H THR A 25 -2.799 -17.512 -2.307 1.00 0.00 H new ATOM 0 HA THR A 25 -4.466 -16.255 -0.478 1.00 0.00 H new ATOM 0 HB THR A 25 -2.843 -16.978 1.165 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.243 -17.254 -1.153 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.837 -19.401 0.680 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.410 -18.639 0.346 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.316 -19.047 -0.997 1.00 0.00 H new ATOM 383 N ALA A 26 -1.597 -14.697 -1.008 1.00 0.00 N ATOM 384 CA ALA A 26 -0.925 -13.415 -0.876 1.00 0.00 C ATOM 385 C ALA A 26 -1.809 -12.332 -1.473 1.00 0.00 C ATOM 386 O ALA A 26 -2.111 -11.331 -0.825 1.00 0.00 O ATOM 387 CB ALA A 26 0.431 -13.448 -1.565 1.00 0.00 C ATOM 0 H ALA A 26 -1.072 -15.399 -1.530 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.753 -13.200 0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.919 -12.479 -1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.051 -14.220 -1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.296 -13.668 -2.624 1.00 0.00 H new ATOM 393 N GLU A 27 -2.244 -12.560 -2.711 1.00 0.00 N ATOM 394 CA GLU A 27 -3.121 -11.626 -3.399 1.00 0.00 C ATOM 395 C GLU A 27 -4.344 -11.315 -2.541 1.00 0.00 C ATOM 396 O GLU A 27 -4.709 -10.154 -2.372 1.00 0.00 O ATOM 397 CB GLU A 27 -3.542 -12.204 -4.753 1.00 0.00 C ATOM 398 CG GLU A 27 -4.670 -11.446 -5.440 1.00 0.00 C ATOM 399 CD GLU A 27 -6.035 -11.796 -4.879 1.00 0.00 C ATOM 400 OE1 GLU A 27 -6.435 -12.975 -4.981 1.00 0.00 O ATOM 401 OE2 GLU A 27 -6.704 -10.894 -4.336 1.00 0.00 O ATOM 0 H GLU A 27 -2.000 -13.387 -3.256 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.581 -10.695 -3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.675 -12.217 -5.414 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.851 -13.240 -4.612 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.501 -10.375 -5.332 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.653 -11.666 -6.507 1.00 0.00 H new ATOM 408 N LYS A 28 -4.958 -12.358 -1.991 1.00 0.00 N ATOM 409 CA LYS A 28 -6.129 -12.191 -1.139 1.00 0.00 C ATOM 410 C LYS A 28 -5.761 -11.429 0.125 1.00 0.00 C ATOM 411 O LYS A 28 -6.417 -10.451 0.485 1.00 0.00 O ATOM 412 CB LYS A 28 -6.723 -13.552 -0.776 1.00 0.00 C ATOM 413 CG LYS A 28 -7.235 -14.328 -1.977 1.00 0.00 C ATOM 414 CD LYS A 28 -8.292 -13.541 -2.731 1.00 0.00 C ATOM 415 CE LYS A 28 -8.829 -14.325 -3.918 1.00 0.00 C ATOM 416 NZ LYS A 28 -9.894 -13.577 -4.641 1.00 0.00 N ATOM 0 H LYS A 28 -4.664 -13.326 -2.120 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.875 -11.618 -1.689 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.965 -14.146 -0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.542 -13.406 -0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.405 -14.559 -2.645 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.653 -15.279 -1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.112 -13.292 -2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.867 -12.599 -3.078 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.013 -14.549 -4.605 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.226 -15.280 -3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.234 -14.145 -5.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.685 -13.385 -3.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.509 -12.677 -4.993 1.00 0.00 H new ATOM 430 N VAL A 29 -4.696 -11.869 0.785 1.00 0.00 N ATOM 431 CA VAL A 29 -4.230 -11.216 1.998 1.00 0.00 C ATOM 432 C VAL A 29 -3.998 -9.736 1.732 1.00 0.00 C ATOM 433 O VAL A 29 -4.355 -8.881 2.544 1.00 0.00 O ATOM 434 CB VAL A 29 -2.930 -11.855 2.524 1.00 0.00 C ATOM 435 CG1 VAL A 29 -2.452 -11.153 3.786 1.00 0.00 C ATOM 436 CG2 VAL A 29 -3.131 -13.343 2.778 1.00 0.00 C ATOM 0 H VAL A 29 -4.140 -12.675 0.499 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.000 -11.340 2.759 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.160 -11.737 1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.533 -11.622 4.138 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.262 -10.102 3.568 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.218 -11.231 4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.203 -13.777 3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.918 -13.483 3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.416 -13.836 1.848 1.00 0.00 H new ATOM 446 N VAL A 30 -3.420 -9.445 0.575 1.00 0.00 N ATOM 447 CA VAL A 30 -3.169 -8.070 0.182 1.00 0.00 C ATOM 448 C VAL A 30 -4.495 -7.324 0.065 1.00 0.00 C ATOM 449 O VAL A 30 -4.638 -6.212 0.571 1.00 0.00 O ATOM 450 CB VAL A 30 -2.408 -7.997 -1.156 1.00 0.00 C ATOM 451 CG1 VAL A 30 -2.157 -6.551 -1.559 1.00 0.00 C ATOM 452 CG2 VAL A 30 -1.099 -8.763 -1.064 1.00 0.00 C ATOM 0 H VAL A 30 -3.118 -10.143 -0.105 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.547 -7.604 0.947 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.026 -8.459 -1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.619 -6.526 -2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.110 -6.033 -1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.563 -6.057 -0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.574 -8.702 -2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.479 -8.330 -0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.304 -9.807 -0.830 1.00 0.00 H new ATOM 462 N LYS A 31 -5.475 -7.953 -0.592 1.00 0.00 N ATOM 463 CA LYS A 31 -6.793 -7.343 -0.748 1.00 0.00 C ATOM 464 C LYS A 31 -7.300 -6.842 0.594 1.00 0.00 C ATOM 465 O LYS A 31 -7.739 -5.702 0.720 1.00 0.00 O ATOM 466 CB LYS A 31 -7.807 -8.337 -1.328 1.00 0.00 C ATOM 467 CG LYS A 31 -7.459 -8.853 -2.714 1.00 0.00 C ATOM 468 CD LYS A 31 -7.207 -7.724 -3.699 1.00 0.00 C ATOM 469 CE LYS A 31 -8.108 -7.830 -4.920 1.00 0.00 C ATOM 470 NZ LYS A 31 -7.821 -9.054 -5.719 1.00 0.00 N ATOM 0 H LYS A 31 -5.380 -8.874 -1.019 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.688 -6.509 -1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.895 -9.185 -0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.785 -7.858 -1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.573 -9.485 -2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.272 -9.479 -3.082 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.374 -6.767 -3.206 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.164 -7.742 -4.014 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.150 -7.841 -4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.975 -6.948 -5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.471 -8.781 -6.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.100 -9.624 -5.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.692 -9.613 -5.823 1.00 0.00 H new ATOM 484 N GLN A 32 -7.223 -7.708 1.600 1.00 0.00 N ATOM 485 CA GLN A 32 -7.665 -7.355 2.943 1.00 0.00 C ATOM 486 C GLN A 32 -6.881 -6.154 3.456 1.00 0.00 C ATOM 487 O GLN A 32 -7.436 -5.259 4.091 1.00 0.00 O ATOM 488 CB GLN A 32 -7.492 -8.544 3.892 1.00 0.00 C ATOM 489 CG GLN A 32 -7.986 -8.268 5.306 1.00 0.00 C ATOM 490 CD GLN A 32 -9.487 -8.022 5.397 1.00 0.00 C ATOM 491 OE1 GLN A 32 -10.217 -8.237 4.302 1.00 0.00 O flip ATOM 492 NE2 GLN A 32 -9.993 -7.654 6.457 1.00 0.00 N flip ATOM 0 H GLN A 32 -6.859 -8.657 1.510 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.722 -7.093 2.903 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.030 -9.402 3.489 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.438 -8.818 3.931 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.727 -9.114 5.943 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.460 -7.399 5.701 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.405 -7.499 7.276 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.000 -7.504 6.516 1.00 0.00 H new ATOM 501 N PHE A 33 -5.586 -6.138 3.157 1.00 0.00 N ATOM 502 CA PHE A 33 -4.712 -5.045 3.567 1.00 0.00 C ATOM 503 C PHE A 33 -5.315 -3.708 3.143 1.00 0.00 C ATOM 504 O PHE A 33 -5.694 -2.886 3.976 1.00 0.00 O ATOM 505 CB PHE A 33 -3.327 -5.233 2.929 1.00 0.00 C ATOM 506 CG PHE A 33 -2.262 -4.342 3.497 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.821 -4.521 4.797 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.695 -3.329 2.732 1.00 0.00 C ATOM 509 CE1 PHE A 33 -0.838 -3.708 5.327 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.712 -2.515 3.260 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.284 -2.705 4.560 1.00 0.00 C ATOM 0 H PHE A 33 -5.117 -6.874 2.629 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.609 -5.049 4.652 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.020 -6.272 3.053 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.405 -5.049 1.857 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.250 -5.305 5.403 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.026 -3.177 1.715 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.503 -3.858 6.343 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.278 -1.731 2.657 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.484 -2.069 4.975 1.00 0.00 H new ATOM 521 N PHE A 34 -5.404 -3.517 1.834 1.00 0.00 N ATOM 522 CA PHE A 34 -5.962 -2.294 1.269 1.00 0.00 C ATOM 523 C PHE A 34 -7.454 -2.192 1.554 1.00 0.00 C ATOM 524 O PHE A 34 -7.964 -1.117 1.861 1.00 0.00 O ATOM 525 CB PHE A 34 -5.673 -2.237 -0.225 1.00 0.00 C ATOM 526 CG PHE A 34 -4.204 -2.291 -0.501 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.343 -1.429 0.158 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.680 -3.215 -1.385 1.00 0.00 C ATOM 529 CE1 PHE A 34 -1.984 -1.489 -0.061 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.320 -3.276 -1.612 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.472 -2.411 -0.947 1.00 0.00 C ATOM 0 H PHE A 34 -5.095 -4.197 1.139 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.486 -1.436 1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.169 -3.069 -0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.089 -1.320 -0.643 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.741 -0.702 0.851 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.340 -3.895 -1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.322 -0.814 0.461 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.919 -3.998 -2.308 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.407 -2.458 -1.122 1.00 0.00 H new ATOM 541 N ASN A 35 -8.150 -3.318 1.480 1.00 0.00 N ATOM 542 CA ASN A 35 -9.581 -3.353 1.765 1.00 0.00 C ATOM 543 C ASN A 35 -9.857 -2.672 3.105 1.00 0.00 C ATOM 544 O ASN A 35 -10.861 -1.980 3.280 1.00 0.00 O ATOM 545 CB ASN A 35 -10.058 -4.802 1.827 1.00 0.00 C ATOM 546 CG ASN A 35 -11.530 -4.921 2.160 1.00 0.00 C ATOM 547 OD1 ASN A 35 -12.010 -4.344 3.136 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.247 -5.691 1.360 1.00 0.00 N ATOM 0 H ASN A 35 -7.749 -4.220 1.225 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.115 -2.827 0.973 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.867 -5.284 0.868 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.476 -5.340 2.576 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.242 -5.827 1.540 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.806 -6.149 0.563 1.00 0.00 H new ATOM 555 N ASP A 36 -8.944 -2.897 4.043 1.00 0.00 N ATOM 556 CA ASP A 36 -9.048 -2.335 5.388 1.00 0.00 C ATOM 557 C ASP A 36 -8.285 -1.016 5.527 1.00 0.00 C ATOM 558 O ASP A 36 -8.610 -0.201 6.391 1.00 0.00 O ATOM 559 CB ASP A 36 -8.539 -3.340 6.421 1.00 0.00 C ATOM 560 CG ASP A 36 -9.392 -4.593 6.478 1.00 0.00 C ATOM 561 OD1 ASP A 36 -9.514 -5.276 5.439 1.00 0.00 O ATOM 562 OD2 ASP A 36 -9.938 -4.892 7.561 1.00 0.00 O ATOM 0 H ASP A 36 -8.114 -3.471 3.896 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.102 -2.125 5.567 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.511 -3.614 6.182 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.523 -2.870 7.404 1.00 0.00 H new ATOM 567 N ASN A 37 -7.282 -0.795 4.678 1.00 0.00 N ATOM 568 CA ASN A 37 -6.506 0.445 4.735 1.00 0.00 C ATOM 569 C ASN A 37 -7.238 1.560 3.995 1.00 0.00 C ATOM 570 O ASN A 37 -7.297 2.697 4.463 1.00 0.00 O ATOM 571 CB ASN A 37 -5.110 0.260 4.126 1.00 0.00 C ATOM 572 CG ASN A 37 -4.270 -0.769 4.858 1.00 0.00 C ATOM 573 OD1 ASN A 37 -4.262 -0.818 6.089 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.527 -1.575 4.104 1.00 0.00 N ATOM 0 H ASN A 37 -6.990 -1.448 3.951 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.392 0.715 5.785 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.213 -0.040 3.083 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.588 1.217 4.133 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.920 -2.268 4.543 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.564 -1.500 3.087 1.00 0.00 H new ATOM 581 N GLY A 38 -7.767 1.202 2.828 1.00 0.00 N ATOM 582 CA GLY A 38 -8.495 2.114 1.954 1.00 0.00 C ATOM 583 C GLY A 38 -8.924 3.440 2.558 1.00 0.00 C ATOM 584 O GLY A 38 -8.098 4.308 2.843 1.00 0.00 O ATOM 0 H GLY A 38 -7.700 0.254 2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.872 2.322 1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.386 1.601 1.592 1.00 0.00 H new ATOM 588 N VAL A 39 -10.237 3.615 2.674 1.00 0.00 N ATOM 589 CA VAL A 39 -10.815 4.862 3.159 1.00 0.00 C ATOM 590 C VAL A 39 -10.742 5.048 4.674 1.00 0.00 C ATOM 591 O VAL A 39 -10.239 6.068 5.145 1.00 0.00 O ATOM 592 CB VAL A 39 -12.284 4.981 2.700 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.934 6.234 3.272 1.00 0.00 C ATOM 594 CG2 VAL A 39 -12.368 4.980 1.180 1.00 0.00 C ATOM 0 H VAL A 39 -10.925 2.901 2.436 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.204 5.653 2.724 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.829 4.116 3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.968 6.294 2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.910 6.191 4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.389 7.114 2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.410 5.065 0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.804 5.824 0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.950 4.051 0.793 1.00 0.00 H new ATOM 604 N ASP A 40 -11.267 4.101 5.437 1.00 0.00 N ATOM 605 CA ASP A 40 -11.274 4.229 6.895 1.00 0.00 C ATOM 606 C ASP A 40 -10.064 3.564 7.544 1.00 0.00 C ATOM 607 O ASP A 40 -10.117 3.180 8.712 1.00 0.00 O ATOM 608 CB ASP A 40 -12.558 3.627 7.467 1.00 0.00 C ATOM 609 CG ASP A 40 -13.802 4.312 6.939 1.00 0.00 C ATOM 610 OD1 ASP A 40 -14.010 4.297 5.708 1.00 0.00 O ATOM 611 OD2 ASP A 40 -14.566 4.865 7.757 1.00 0.00 O ATOM 0 H ASP A 40 -11.690 3.244 5.081 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.225 5.294 7.123 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.599 2.566 7.222 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.539 3.703 8.554 1.00 0.00 H new ATOM 616 N GLY A 41 -8.978 3.435 6.796 1.00 0.00 N ATOM 617 CA GLY A 41 -7.785 2.820 7.345 1.00 0.00 C ATOM 618 C GLY A 41 -7.208 3.616 8.501 1.00 0.00 C ATOM 619 O GLY A 41 -7.206 4.846 8.478 1.00 0.00 O ATOM 0 H GLY A 41 -8.900 3.742 5.826 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.022 1.811 7.683 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.034 2.725 6.561 1.00 0.00 H new ATOM 623 N GLU A 42 -6.710 2.910 9.511 1.00 0.00 N ATOM 624 CA GLU A 42 -6.119 3.557 10.678 1.00 0.00 C ATOM 625 C GLU A 42 -4.638 3.827 10.439 1.00 0.00 C ATOM 626 O GLU A 42 -3.813 2.916 10.513 1.00 0.00 O ATOM 627 CB GLU A 42 -6.299 2.685 11.923 1.00 0.00 C ATOM 628 CG GLU A 42 -7.754 2.425 12.276 1.00 0.00 C ATOM 629 CD GLU A 42 -8.523 3.701 12.555 1.00 0.00 C ATOM 630 OE1 GLU A 42 -8.139 4.435 13.488 1.00 0.00 O ATOM 631 OE2 GLU A 42 -9.512 3.967 11.836 1.00 0.00 O ATOM 0 H GLU A 42 -6.704 1.891 9.545 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.629 4.506 10.840 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.796 1.731 11.765 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.809 3.167 12.769 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.233 1.889 11.457 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.802 1.778 13.152 1.00 0.00 H new ATOM 638 N TRP A 43 -4.304 5.082 10.149 1.00 0.00 N ATOM 639 CA TRP A 43 -2.916 5.454 9.896 1.00 0.00 C ATOM 640 C TRP A 43 -2.445 6.520 10.883 1.00 0.00 C ATOM 641 O TRP A 43 -3.226 7.367 11.317 1.00 0.00 O ATOM 642 CB TRP A 43 -2.733 6.017 8.483 1.00 0.00 C ATOM 643 CG TRP A 43 -3.503 5.329 7.390 1.00 0.00 C ATOM 644 CD1 TRP A 43 -4.133 4.114 7.421 1.00 0.00 C ATOM 645 CD2 TRP A 43 -3.704 5.849 6.074 1.00 0.00 C ATOM 646 NE1 TRP A 43 -4.727 3.863 6.202 1.00 0.00 N ATOM 647 CE2 TRP A 43 -4.473 4.913 5.361 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.308 7.024 5.435 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -4.852 5.119 4.038 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.684 7.227 4.124 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.449 6.278 3.435 1.00 0.00 C ATOM 0 H TRP A 43 -4.970 5.852 10.084 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.328 4.543 10.011 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.019 7.069 8.494 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.673 5.977 8.233 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.161 3.451 8.273 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.267 3.031 5.966 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.717 7.762 5.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.444 4.389 3.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -3.383 8.134 3.620 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.726 6.465 2.408 1.00 0.00 H new ATOM 662 N THR A 44 -1.155 6.493 11.207 1.00 0.00 N ATOM 663 CA THR A 44 -0.569 7.478 12.111 1.00 0.00 C ATOM 664 C THR A 44 0.505 8.277 11.375 1.00 0.00 C ATOM 665 O THR A 44 1.174 7.753 10.485 1.00 0.00 O ATOM 666 CB THR A 44 0.026 6.797 13.346 1.00 0.00 C ATOM 667 OG1 THR A 44 1.026 5.868 12.977 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.004 6.059 14.175 1.00 0.00 C ATOM 0 H THR A 44 -0.495 5.799 10.856 1.00 0.00 H new ATOM 0 HA THR A 44 -1.354 8.156 12.446 1.00 0.00 H new ATOM 0 HB THR A 44 0.444 7.605 13.947 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.439 6.149 12.134 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.517 5.599 15.035 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.764 6.760 14.520 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.474 5.286 13.567 1.00 0.00 H new ATOM 676 N TYR A 45 0.655 9.550 11.730 1.00 0.00 N ATOM 677 CA TYR A 45 1.639 10.408 11.075 1.00 0.00 C ATOM 678 C TYR A 45 2.779 10.783 12.019 1.00 0.00 C ATOM 679 O TYR A 45 2.565 11.009 13.210 1.00 0.00 O ATOM 680 CB TYR A 45 0.959 11.675 10.549 1.00 0.00 C ATOM 681 CG TYR A 45 1.877 12.589 9.767 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.856 12.073 8.927 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.760 13.970 9.864 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.693 12.905 8.209 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.593 14.810 9.149 1.00 0.00 C ATOM 686 CZ TYR A 45 3.557 14.272 8.323 1.00 0.00 C ATOM 687 OH TYR A 45 4.389 15.104 7.609 1.00 0.00 O ATOM 0 H TYR A 45 0.112 10.008 12.462 1.00 0.00 H new ATOM 0 HA TYR A 45 2.066 9.849 10.243 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.122 11.388 9.913 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.544 12.228 11.391 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.965 11.003 8.834 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.005 14.395 10.509 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.450 12.487 7.562 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.489 15.881 9.237 1.00 0.00 H new ATOM 0 HH TYR A 45 4.284 14.927 6.651 1.00 0.00 H new ATOM 697 N ASP A 46 3.991 10.851 11.471 1.00 0.00 N ATOM 698 CA ASP A 46 5.171 11.207 12.253 1.00 0.00 C ATOM 699 C ASP A 46 5.869 12.424 11.650 1.00 0.00 C ATOM 700 O ASP A 46 6.799 12.290 10.854 1.00 0.00 O ATOM 701 CB ASP A 46 6.142 10.024 12.315 1.00 0.00 C ATOM 702 CG ASP A 46 7.385 10.332 13.131 1.00 0.00 C ATOM 703 OD1 ASP A 46 7.492 11.465 13.646 1.00 0.00 O ATOM 704 OD2 ASP A 46 8.249 9.440 13.254 1.00 0.00 O ATOM 0 H ASP A 46 4.181 10.664 10.486 1.00 0.00 H new ATOM 0 HA ASP A 46 4.850 11.456 13.264 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.632 9.163 12.747 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.436 9.746 11.303 1.00 0.00 H new ATOM 709 N ASP A 47 5.405 13.612 12.031 1.00 0.00 N ATOM 710 CA ASP A 47 5.969 14.863 11.527 1.00 0.00 C ATOM 711 C ASP A 47 7.496 14.855 11.574 1.00 0.00 C ATOM 712 O ASP A 47 8.157 15.376 10.674 1.00 0.00 O ATOM 713 CB ASP A 47 5.439 16.045 12.343 1.00 0.00 C ATOM 714 CG ASP A 47 3.924 16.114 12.354 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.283 15.229 11.750 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.378 17.054 12.971 1.00 0.00 O ATOM 0 H ASP A 47 4.636 13.735 12.690 1.00 0.00 H new ATOM 0 HA ASP A 47 5.662 14.965 10.486 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.803 15.967 13.367 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.838 16.973 11.933 1.00 0.00 H new ATOM 721 N ALA A 48 8.048 14.281 12.637 1.00 0.00 N ATOM 722 CA ALA A 48 9.498 14.225 12.816 1.00 0.00 C ATOM 723 C ALA A 48 10.212 13.699 11.572 1.00 0.00 C ATOM 724 O ALA A 48 11.337 14.103 11.280 1.00 0.00 O ATOM 725 CB ALA A 48 9.843 13.364 14.019 1.00 0.00 C ATOM 0 H ALA A 48 7.514 13.847 13.390 1.00 0.00 H new ATOM 0 HA ALA A 48 9.845 15.244 12.985 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.925 13.329 14.143 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.389 13.790 14.914 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.463 12.354 13.865 1.00 0.00 H new ATOM 731 N THR A 49 9.560 12.799 10.845 1.00 0.00 N ATOM 732 CA THR A 49 10.154 12.226 9.638 1.00 0.00 C ATOM 733 C THR A 49 9.213 12.331 8.439 1.00 0.00 C ATOM 734 O THR A 49 9.443 11.696 7.410 1.00 0.00 O ATOM 735 CB THR A 49 10.525 10.762 9.876 1.00 0.00 C ATOM 736 OG1 THR A 49 9.381 10.005 10.226 1.00 0.00 O ATOM 737 CG2 THR A 49 11.555 10.573 10.967 1.00 0.00 C ATOM 0 H THR A 49 8.627 12.451 11.066 1.00 0.00 H new ATOM 0 HA THR A 49 11.053 12.799 9.412 1.00 0.00 H new ATOM 0 HB THR A 49 10.953 10.417 8.935 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.296 9.973 11.202 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.772 9.511 11.083 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.469 11.103 10.700 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.167 10.969 11.906 1.00 0.00 H new ATOM 745 N LYS A 50 8.154 13.126 8.573 1.00 0.00 N ATOM 746 CA LYS A 50 7.189 13.291 7.487 1.00 0.00 C ATOM 747 C LYS A 50 6.757 11.933 6.944 1.00 0.00 C ATOM 748 O LYS A 50 6.517 11.778 5.744 1.00 0.00 O ATOM 749 CB LYS A 50 7.788 14.129 6.361 1.00 0.00 C ATOM 750 CG LYS A 50 8.132 15.547 6.776 1.00 0.00 C ATOM 751 CD LYS A 50 7.689 16.544 5.722 1.00 0.00 C ATOM 752 CE LYS A 50 8.072 17.966 6.099 1.00 0.00 C ATOM 753 NZ LYS A 50 9.544 18.122 6.264 1.00 0.00 N ATOM 0 H LYS A 50 7.943 13.662 9.415 1.00 0.00 H new ATOM 0 HA LYS A 50 6.315 13.807 7.886 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.689 13.638 5.994 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.083 14.163 5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.651 15.779 7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.207 15.633 6.934 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.141 16.287 4.764 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.609 16.480 5.592 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.719 18.653 5.330 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.572 18.242 7.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.788 19.133 6.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.840 17.691 7.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.033 17.651 5.477 1.00 0.00 H new ATOM 767 N THR A 51 6.678 10.949 7.833 1.00 0.00 N ATOM 768 CA THR A 51 6.294 9.600 7.442 1.00 0.00 C ATOM 769 C THR A 51 5.007 9.161 8.135 1.00 0.00 C ATOM 770 O THR A 51 4.781 9.463 9.308 1.00 0.00 O ATOM 771 CB THR A 51 7.422 8.620 7.766 1.00 0.00 C ATOM 772 OG1 THR A 51 8.617 8.994 7.103 1.00 0.00 O ATOM 773 CG2 THR A 51 7.109 7.192 7.377 1.00 0.00 C ATOM 0 H THR A 51 6.875 11.061 8.828 1.00 0.00 H new ATOM 0 HA THR A 51 6.112 9.602 6.367 1.00 0.00 H new ATOM 0 HB THR A 51 7.539 8.665 8.849 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.856 9.911 7.352 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.952 6.551 7.635 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.221 6.856 7.912 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.928 7.139 6.303 1.00 0.00 H new ATOM 781 N PHE A 52 4.171 8.444 7.394 1.00 0.00 N ATOM 782 CA PHE A 52 2.901 7.948 7.915 1.00 0.00 C ATOM 783 C PHE A 52 2.927 6.423 7.998 1.00 0.00 C ATOM 784 O PHE A 52 3.553 5.771 7.173 1.00 0.00 O ATOM 785 CB PHE A 52 1.746 8.373 7.001 1.00 0.00 C ATOM 786 CG PHE A 52 1.720 9.839 6.659 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.761 10.424 5.951 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.643 10.630 7.028 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.729 11.765 5.624 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.605 11.972 6.700 1.00 0.00 C ATOM 791 CZ PHE A 52 1.650 12.541 5.999 1.00 0.00 C ATOM 0 H PHE A 52 4.351 8.191 6.422 1.00 0.00 H new ATOM 0 HA PHE A 52 2.753 8.370 8.909 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.803 7.799 6.076 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.804 8.109 7.482 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.607 9.822 5.652 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.176 10.192 7.579 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.547 12.207 5.075 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.242 12.576 6.992 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.623 13.590 5.745 1.00 0.00 H new ATOM 801 N THR A 53 2.237 5.857 8.980 1.00 0.00 N ATOM 802 CA THR A 53 2.182 4.405 9.124 1.00 0.00 C ATOM 803 C THR A 53 0.741 3.907 9.093 1.00 0.00 C ATOM 804 O THR A 53 -0.114 4.396 9.830 1.00 0.00 O ATOM 805 CB THR A 53 2.877 3.942 10.405 1.00 0.00 C ATOM 806 OG1 THR A 53 2.606 4.823 11.479 1.00 0.00 O ATOM 807 CG2 THR A 53 4.380 3.817 10.261 1.00 0.00 C ATOM 0 H THR A 53 1.711 6.375 9.684 1.00 0.00 H new ATOM 0 HA THR A 53 2.716 3.975 8.277 1.00 0.00 H new ATOM 0 HB THR A 53 2.470 2.952 10.609 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.797 4.528 11.948 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.810 3.485 11.206 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.612 3.091 9.482 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.801 4.785 9.991 1.00 0.00 H new ATOM 815 N VAL A 54 0.487 2.923 8.238 1.00 0.00 N ATOM 816 CA VAL A 54 -0.841 2.341 8.106 1.00 0.00 C ATOM 817 C VAL A 54 -0.894 0.980 8.794 1.00 0.00 C ATOM 818 O VAL A 54 -0.367 -0.006 8.280 1.00 0.00 O ATOM 819 CB VAL A 54 -1.249 2.189 6.624 1.00 0.00 C ATOM 820 CG1 VAL A 54 -2.633 1.569 6.505 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.203 3.537 5.919 1.00 0.00 C ATOM 0 H VAL A 54 1.189 2.510 7.623 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.546 3.020 8.586 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.536 1.521 6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.899 1.472 5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.632 0.584 6.971 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.362 2.207 7.006 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.493 3.412 4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.892 4.227 6.407 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.191 3.939 5.968 1.00 0.00 H new ATOM 831 N THR A 55 -1.522 0.937 9.966 1.00 0.00 N ATOM 832 CA THR A 55 -1.625 -0.303 10.726 1.00 0.00 C ATOM 833 C THR A 55 -2.994 -0.950 10.552 1.00 0.00 C ATOM 834 O THR A 55 -4.017 -0.370 10.912 1.00 0.00 O ATOM 835 CB THR A 55 -1.349 -0.043 12.206 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.136 0.669 12.373 1.00 0.00 O ATOM 837 CG2 THR A 55 -1.243 -1.317 13.016 1.00 0.00 C ATOM 0 H THR A 55 -1.965 1.743 10.407 1.00 0.00 H new ATOM 0 HA THR A 55 -0.875 -0.994 10.340 1.00 0.00 H new ATOM 0 HB THR A 55 -2.199 0.537 12.566 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.022 0.827 13.327 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.046 -1.070 14.059 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.178 -1.872 12.945 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.428 -1.928 12.628 1.00 0.00 H new ATOM 845 N GLU A 56 -3.004 -2.159 9.995 1.00 0.00 N ATOM 846 CA GLU A 56 -4.246 -2.887 9.770 1.00 0.00 C ATOM 847 C GLU A 56 -4.815 -3.412 11.084 1.00 0.00 C ATOM 848 O GLU A 56 -6.048 -3.330 11.270 1.00 0.00 O ATOM 849 CB GLU A 56 -4.012 -4.048 8.802 1.00 0.00 C ATOM 850 CG GLU A 56 -5.263 -4.858 8.504 1.00 0.00 C ATOM 851 CD GLU A 56 -5.000 -6.008 7.554 1.00 0.00 C ATOM 852 OE1 GLU A 56 -4.174 -6.883 7.893 1.00 0.00 O ATOM 853 OE2 GLU A 56 -5.618 -6.036 6.469 1.00 0.00 O ATOM 854 OXT GLU A 56 -4.023 -3.900 11.919 1.00 0.00 O ATOM 0 H GLU A 56 -2.165 -2.653 9.692 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.968 -2.198 9.332 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.613 -3.655 7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.253 -4.709 9.219 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.670 -5.248 9.437 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.022 -4.203 8.075 1.00 0.00 H new TER 861 GLU A 56 ATOM 862 N MET B 1 6.410 19.077 -2.204 1.00 0.00 N ATOM 863 CA MET B 1 6.860 18.280 -1.034 1.00 0.00 C ATOM 864 C MET B 1 6.501 16.807 -1.191 1.00 0.00 C ATOM 865 O MET B 1 5.391 16.468 -1.598 1.00 0.00 O ATOM 866 CB MET B 1 6.203 18.844 0.228 1.00 0.00 C ATOM 867 CG MET B 1 6.643 20.259 0.567 1.00 0.00 C ATOM 868 SD MET B 1 8.407 20.369 0.924 1.00 0.00 S ATOM 869 CE MET B 1 8.539 19.259 2.324 1.00 0.00 C ATOM 0 H1 MET B 1 6.867 20.011 -2.184 1.00 0.00 H new ATOM 0 H2 MET B 1 6.670 18.583 -3.081 1.00 0.00 H new ATOM 0 H3 MET B 1 5.378 19.196 -2.167 1.00 0.00 H new ATOM 0 HA MET B 1 7.945 18.349 -0.960 1.00 0.00 H new ATOM 0 HB2 MET B 1 5.121 18.831 0.100 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.433 18.190 1.069 1.00 0.00 H new ATOM 0 HG2 MET B 1 6.403 20.920 -0.266 1.00 0.00 H new ATOM 0 HG3 MET B 1 6.079 20.614 1.429 1.00 0.00 H new ATOM 0 HE1 MET B 1 9.277 19.646 3.027 1.00 0.00 H new ATOM 0 HE2 MET B 1 7.571 19.182 2.820 1.00 0.00 H new ATOM 0 HE3 MET B 1 8.849 18.273 1.978 1.00 0.00 H new ATOM 881 N GLN B 2 7.448 15.939 -0.856 1.00 0.00 N ATOM 882 CA GLN B 2 7.234 14.501 -0.946 1.00 0.00 C ATOM 883 C GLN B 2 7.124 13.898 0.449 1.00 0.00 C ATOM 884 O GLN B 2 7.773 14.360 1.386 1.00 0.00 O ATOM 885 CB GLN B 2 8.378 13.838 -1.717 1.00 0.00 C ATOM 886 CG GLN B 2 8.221 12.332 -1.860 1.00 0.00 C ATOM 887 CD GLN B 2 9.372 11.696 -2.615 1.00 0.00 C ATOM 888 OE1 GLN B 2 10.529 11.799 -2.206 1.00 0.00 O ATOM 889 NE2 GLN B 2 9.060 11.030 -3.722 1.00 0.00 N ATOM 0 H GLN B 2 8.373 16.207 -0.519 1.00 0.00 H new ATOM 0 HA GLN B 2 6.302 14.322 -1.483 1.00 0.00 H new ATOM 0 HB2 GLN B 2 8.443 14.284 -2.709 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.319 14.051 -1.209 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.148 11.882 -0.870 1.00 0.00 H new ATOM 0 HG3 GLN B 2 7.287 12.115 -2.378 1.00 0.00 H new ATOM 0 HE21 GLN B 2 8.088 10.970 -4.024 1.00 0.00 H new ATOM 0 HE22 GLN B 2 9.793 10.579 -4.269 1.00 0.00 H new ATOM 898 N TYR B 3 6.298 12.867 0.582 1.00 0.00 N ATOM 899 CA TYR B 3 6.110 12.211 1.869 1.00 0.00 C ATOM 900 C TYR B 3 6.254 10.703 1.729 1.00 0.00 C ATOM 901 O TYR B 3 5.909 10.130 0.695 1.00 0.00 O ATOM 902 CB TYR B 3 4.737 12.555 2.446 1.00 0.00 C ATOM 903 CG TYR B 3 4.539 14.032 2.707 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.335 14.923 1.659 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.554 14.537 4.002 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.152 16.272 1.893 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.371 15.886 4.245 1.00 0.00 C ATOM 908 CZ TYR B 3 4.171 16.748 3.187 1.00 0.00 C ATOM 909 OH TYR B 3 3.989 18.092 3.424 1.00 0.00 O ATOM 0 H TYR B 3 5.751 12.469 -0.181 1.00 0.00 H new ATOM 0 HA TYR B 3 6.880 12.571 2.551 1.00 0.00 H new ATOM 0 HB2 TYR B 3 3.966 12.211 1.756 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.597 12.008 3.379 1.00 0.00 H new ATOM 0 HD1 TYR B 3 4.319 14.554 0.644 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.711 13.865 4.832 1.00 0.00 H new ATOM 0 HE1 TYR B 3 3.995 16.950 1.067 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.385 16.262 5.257 1.00 0.00 H new ATOM 0 HH TYR B 3 4.029 18.263 4.388 1.00 0.00 H new ATOM 919 N LYS B 4 6.761 10.062 2.775 1.00 0.00 N ATOM 920 CA LYS B 4 6.944 8.618 2.762 1.00 0.00 C ATOM 921 C LYS B 4 5.872 7.931 3.599 1.00 0.00 C ATOM 922 O LYS B 4 5.844 8.061 4.821 1.00 0.00 O ATOM 923 CB LYS B 4 8.334 8.249 3.284 1.00 0.00 C ATOM 924 CG LYS B 4 8.607 6.753 3.271 1.00 0.00 C ATOM 925 CD LYS B 4 10.044 6.426 3.655 1.00 0.00 C ATOM 926 CE LYS B 4 10.359 6.816 5.093 1.00 0.00 C ATOM 927 NZ LYS B 4 10.450 8.292 5.276 1.00 0.00 N ATOM 0 H LYS B 4 7.052 10.518 3.640 1.00 0.00 H new ATOM 0 HA LYS B 4 6.853 8.274 1.732 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.087 8.753 2.678 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.442 8.622 4.303 1.00 0.00 H new ATOM 0 HG2 LYS B 4 7.926 6.255 3.962 1.00 0.00 H new ATOM 0 HG3 LYS B 4 8.399 6.356 2.277 1.00 0.00 H new ATOM 0 HD2 LYS B 4 10.219 5.358 3.523 1.00 0.00 H new ATOM 0 HD3 LYS B 4 10.725 6.946 2.982 1.00 0.00 H new ATOM 0 HE2 LYS B 4 9.587 6.418 5.752 1.00 0.00 H new ATOM 0 HE3 LYS B 4 11.301 6.357 5.393 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 11.323 8.525 5.792 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 10.463 8.757 4.346 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 9.628 8.626 5.819 1.00 0.00 H new ATOM 941 N VAL B 5 4.996 7.190 2.930 1.00 0.00 N ATOM 942 CA VAL B 5 3.930 6.474 3.609 1.00 0.00 C ATOM 943 C VAL B 5 4.350 5.035 3.873 1.00 0.00 C ATOM 944 O VAL B 5 4.855 4.350 2.989 1.00 0.00 O ATOM 945 CB VAL B 5 2.620 6.498 2.794 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.519 5.734 3.516 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.188 7.931 2.521 1.00 0.00 C ATOM 0 H VAL B 5 5.006 7.071 1.917 1.00 0.00 H new ATOM 0 HA VAL B 5 3.744 6.978 4.557 1.00 0.00 H new ATOM 0 HB VAL B 5 2.804 6.006 1.839 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.605 5.765 2.922 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.826 4.698 3.655 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.336 6.192 4.488 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.262 7.929 1.945 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.026 8.449 3.466 1.00 0.00 H new ATOM 0 HG23 VAL B 5 2.966 8.444 1.955 1.00 0.00 H new ATOM 957 N ILE B 6 4.150 4.594 5.100 1.00 0.00 N ATOM 958 CA ILE B 6 4.515 3.247 5.506 1.00 0.00 C ATOM 959 C ILE B 6 3.269 2.402 5.747 1.00 0.00 C ATOM 960 O ILE B 6 2.362 2.807 6.472 1.00 0.00 O ATOM 961 CB ILE B 6 5.383 3.280 6.781 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.655 4.095 6.533 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.736 1.876 7.239 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.575 4.158 7.733 1.00 0.00 C ATOM 0 H ILE B 6 3.732 5.155 5.842 1.00 0.00 H new ATOM 0 HA ILE B 6 5.093 2.796 4.699 1.00 0.00 H new ATOM 0 HB ILE B 6 4.806 3.757 7.573 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.197 3.662 5.692 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.377 5.109 6.245 1.00 0.00 H new ATOM 0 HG21 ILE B 6 6.348 1.930 8.139 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.822 1.323 7.454 1.00 0.00 H new ATOM 0 HG23 ILE B 6 6.292 1.366 6.452 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.456 4.751 7.486 1.00 0.00 H new ATOM 0 HD12 ILE B 6 7.050 4.619 8.570 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.883 3.149 8.009 1.00 0.00 H new ATOM 976 N LEU B 7 3.224 1.231 5.125 1.00 0.00 N ATOM 977 CA LEU B 7 2.080 0.339 5.265 1.00 0.00 C ATOM 978 C LEU B 7 2.441 -0.871 6.128 1.00 0.00 C ATOM 979 O LEU B 7 3.003 -1.851 5.639 1.00 0.00 O ATOM 980 CB LEU B 7 1.602 -0.101 3.878 1.00 0.00 C ATOM 981 CG LEU B 7 1.566 1.013 2.834 1.00 0.00 C ATOM 982 CD1 LEU B 7 1.019 0.488 1.516 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.739 2.186 3.343 1.00 0.00 C ATOM 0 H LEU B 7 3.965 0.877 4.520 1.00 0.00 H new ATOM 0 HA LEU B 7 1.271 0.871 5.764 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.255 -0.896 3.519 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.603 -0.526 3.971 1.00 0.00 H new ATOM 0 HG LEU B 7 2.583 1.365 2.659 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.000 1.294 0.783 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.657 -0.318 1.153 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.008 0.110 1.666 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.722 2.973 2.589 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.279 1.853 3.544 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.182 2.572 4.261 1.00 0.00 H new ATOM 995 N ASN B 8 2.115 -0.784 7.416 1.00 0.00 N ATOM 996 CA ASN B 8 2.408 -1.860 8.361 1.00 0.00 C ATOM 997 C ASN B 8 1.156 -2.635 8.746 1.00 0.00 C ATOM 998 O ASN B 8 0.288 -2.125 9.444 1.00 0.00 O ATOM 999 CB ASN B 8 3.066 -1.301 9.624 1.00 0.00 C ATOM 1000 CG ASN B 8 4.517 -0.936 9.406 1.00 0.00 C ATOM 1001 OD1 ASN B 8 4.853 -0.250 8.447 1.00 0.00 O ATOM 1002 ND2 ASN B 8 5.384 -1.387 10.304 1.00 0.00 N ATOM 0 H ASN B 8 1.647 0.022 7.830 1.00 0.00 H new ATOM 0 HA ASN B 8 3.093 -2.545 7.862 1.00 0.00 H new ATOM 0 HB2 ASN B 8 2.518 -0.419 9.955 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.996 -2.039 10.423 1.00 0.00 H new ATOM 0 HD21 ASN B 8 6.375 -1.166 10.212 1.00 0.00 H new ATOM 0 HD22 ASN B 8 5.059 -1.955 11.086 1.00 0.00 H new ATOM 1009 N GLY B 9 1.078 -3.882 8.302 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.063 -4.715 8.627 1.00 0.00 C ATOM 1011 C GLY B 9 0.343 -5.946 9.405 1.00 0.00 C ATOM 1012 O GLY B 9 1.469 -6.029 9.899 1.00 0.00 O ATOM 0 H GLY B 9 1.786 -4.332 7.722 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.780 -4.137 9.210 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.567 -5.016 7.708 1.00 0.00 H new ATOM 1016 N LYS B 10 -0.561 -6.910 9.506 1.00 0.00 N ATOM 1017 CA LYS B 10 -0.269 -8.142 10.220 1.00 0.00 C ATOM 1018 C LYS B 10 0.466 -9.118 9.307 1.00 0.00 C ATOM 1019 O LYS B 10 1.558 -9.589 9.626 1.00 0.00 O ATOM 1020 CB LYS B 10 -1.559 -8.781 10.738 1.00 0.00 C ATOM 1021 CG LYS B 10 -2.321 -7.904 11.720 1.00 0.00 C ATOM 1022 CD LYS B 10 -3.580 -8.594 12.219 1.00 0.00 C ATOM 1023 CE LYS B 10 -4.536 -8.905 11.079 1.00 0.00 C ATOM 1024 NZ LYS B 10 -4.966 -7.674 10.361 1.00 0.00 N ATOM 0 H LYS B 10 -1.497 -6.863 9.105 1.00 0.00 H new ATOM 0 HA LYS B 10 0.368 -7.904 11.072 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.206 -9.011 9.892 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -1.317 -9.728 11.221 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -1.679 -7.660 12.566 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -2.587 -6.963 11.239 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -3.311 -9.518 12.731 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -4.079 -7.958 12.950 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -4.054 -9.585 10.377 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -5.412 -9.421 11.471 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -6.003 -7.658 10.291 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -4.641 -6.836 10.884 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -4.554 -7.667 9.406 1.00 0.00 H new ATOM 1038 N THR B 11 -0.148 -9.414 8.166 1.00 0.00 N ATOM 1039 CA THR B 11 0.423 -10.327 7.189 1.00 0.00 C ATOM 1040 C THR B 11 1.073 -9.570 6.037 1.00 0.00 C ATOM 1041 O THR B 11 1.648 -10.175 5.133 1.00 0.00 O ATOM 1042 CB THR B 11 -0.672 -11.249 6.651 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.846 -10.509 6.359 1.00 0.00 O ATOM 1044 CG2 THR B 11 -1.046 -12.361 7.609 1.00 0.00 C ATOM 0 H THR B 11 -1.052 -9.028 7.895 1.00 0.00 H new ATOM 0 HA THR B 11 1.195 -10.917 7.682 1.00 0.00 H new ATOM 0 HB THR B 11 -0.257 -11.701 5.750 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.634 -11.024 6.632 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.828 -12.977 7.164 1.00 0.00 H new ATOM 0 HG22 THR B 11 -0.170 -12.977 7.811 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.410 -11.930 8.542 1.00 0.00 H new ATOM 1052 N LEU B 12 0.975 -8.243 6.066 1.00 0.00 N ATOM 1053 CA LEU B 12 1.553 -7.422 5.014 1.00 0.00 C ATOM 1054 C LEU B 12 2.269 -6.204 5.590 1.00 0.00 C ATOM 1055 O LEU B 12 1.754 -5.526 6.477 1.00 0.00 O ATOM 1056 CB LEU B 12 0.467 -6.989 4.026 1.00 0.00 C ATOM 1057 CG LEU B 12 0.954 -6.134 2.867 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.163 -6.782 2.224 1.00 0.00 C ATOM 1059 CD2 LEU B 12 -0.158 -5.929 1.849 1.00 0.00 C ATOM 0 H LEU B 12 0.503 -7.719 6.803 1.00 0.00 H new ATOM 0 HA LEU B 12 2.294 -8.022 4.485 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -0.012 -7.881 3.623 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.298 -6.435 4.570 1.00 0.00 H new ATOM 0 HG LEU B 12 1.244 -5.154 3.246 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.508 -6.165 1.394 1.00 0.00 H new ATOM 0 HD12 LEU B 12 2.960 -6.877 2.961 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.892 -7.771 1.853 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.210 -5.315 1.027 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.481 -6.896 1.463 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -1.001 -5.429 2.326 1.00 0.00 H new ATOM 1071 N LYS B 13 3.458 -5.933 5.064 1.00 0.00 N ATOM 1072 CA LYS B 13 4.257 -4.793 5.504 1.00 0.00 C ATOM 1073 C LYS B 13 5.036 -4.206 4.333 1.00 0.00 C ATOM 1074 O LYS B 13 5.437 -4.932 3.424 1.00 0.00 O ATOM 1075 CB LYS B 13 5.220 -5.207 6.618 1.00 0.00 C ATOM 1076 CG LYS B 13 4.523 -5.747 7.858 1.00 0.00 C ATOM 1077 CD LYS B 13 5.522 -6.136 8.936 1.00 0.00 C ATOM 1078 CE LYS B 13 6.479 -7.213 8.451 1.00 0.00 C ATOM 1079 NZ LYS B 13 7.455 -7.606 9.505 1.00 0.00 N ATOM 0 H LYS B 13 3.893 -6.490 4.328 1.00 0.00 H new ATOM 0 HA LYS B 13 3.580 -4.033 5.894 1.00 0.00 H new ATOM 0 HB2 LYS B 13 5.901 -5.967 6.234 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.828 -4.347 6.899 1.00 0.00 H new ATOM 0 HG2 LYS B 13 3.839 -4.993 8.249 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.921 -6.615 7.589 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.088 -5.256 9.242 1.00 0.00 H new ATOM 0 HD3 LYS B 13 4.987 -6.493 9.816 1.00 0.00 H new ATOM 0 HE2 LYS B 13 5.911 -8.089 8.138 1.00 0.00 H new ATOM 0 HE3 LYS B 13 7.017 -6.852 7.575 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 8.089 -8.342 9.134 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 8.015 -6.776 9.786 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 6.943 -7.975 10.332 1.00 0.00 H new ATOM 1093 N GLY B 14 5.257 -2.894 4.354 1.00 0.00 N ATOM 1094 CA GLY B 14 5.992 -2.264 3.275 1.00 0.00 C ATOM 1095 C GLY B 14 6.158 -0.767 3.446 1.00 0.00 C ATOM 1096 O GLY B 14 5.840 -0.212 4.498 1.00 0.00 O ATOM 0 H GLY B 14 4.943 -2.263 5.091 1.00 0.00 H new ATOM 0 HA2 GLY B 14 6.977 -2.724 3.201 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.478 -2.459 2.334 1.00 0.00 H new ATOM 1100 N GLU B 15 6.656 -0.116 2.397 1.00 0.00 N ATOM 1101 CA GLU B 15 6.868 1.328 2.408 1.00 0.00 C ATOM 1102 C GLU B 15 6.453 1.940 1.074 1.00 0.00 C ATOM 1103 O GLU B 15 6.528 1.290 0.032 1.00 0.00 O ATOM 1104 CB GLU B 15 8.335 1.660 2.698 1.00 0.00 C ATOM 1105 CG GLU B 15 8.832 1.151 4.042 1.00 0.00 C ATOM 1106 CD GLU B 15 9.054 -0.350 4.061 1.00 0.00 C ATOM 1107 OE1 GLU B 15 8.924 -0.985 2.995 1.00 0.00 O ATOM 1108 OE2 GLU B 15 9.371 -0.888 5.143 1.00 0.00 O ATOM 0 H GLU B 15 6.922 -0.570 1.523 1.00 0.00 H new ATOM 0 HA GLU B 15 6.251 1.752 3.200 1.00 0.00 H new ATOM 0 HB2 GLU B 15 8.955 1.236 1.909 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.466 2.741 2.660 1.00 0.00 H new ATOM 0 HG2 GLU B 15 9.766 1.654 4.292 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.110 1.416 4.814 1.00 0.00 H new ATOM 1115 N THR B 16 6.006 3.191 1.114 1.00 0.00 N ATOM 1116 CA THR B 16 5.568 3.891 -0.087 1.00 0.00 C ATOM 1117 C THR B 16 5.785 5.399 0.050 1.00 0.00 C ATOM 1118 O THR B 16 6.101 5.886 1.132 1.00 0.00 O ATOM 1119 CB THR B 16 4.098 3.569 -0.372 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.530 4.551 -1.199 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.244 3.456 0.874 1.00 0.00 C ATOM 0 H THR B 16 5.938 3.742 1.969 1.00 0.00 H new ATOM 0 HA THR B 16 6.168 3.549 -0.930 1.00 0.00 H new ATOM 0 HB THR B 16 4.108 2.595 -0.861 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.554 4.522 -1.119 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.217 3.227 0.591 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.632 2.660 1.510 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.268 4.400 1.419 1.00 0.00 H new ATOM 1129 N THR B 17 5.638 6.135 -1.054 1.00 0.00 N ATOM 1130 CA THR B 17 5.845 7.584 -1.036 1.00 0.00 C ATOM 1131 C THR B 17 4.874 8.332 -1.956 1.00 0.00 C ATOM 1132 O THR B 17 4.834 8.093 -3.162 1.00 0.00 O ATOM 1133 CB THR B 17 7.282 7.911 -1.439 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.578 7.373 -2.714 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.315 7.385 -0.467 1.00 0.00 C ATOM 0 H THR B 17 5.379 5.755 -1.964 1.00 0.00 H new ATOM 0 HA THR B 17 5.652 7.919 -0.017 1.00 0.00 H new ATOM 0 HB THR B 17 7.338 9.000 -1.445 1.00 0.00 H new ATOM 0 HG1 THR B 17 6.754 7.309 -3.241 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.312 7.653 -0.815 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.145 7.822 0.517 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.233 6.300 -0.401 1.00 0.00 H new ATOM 1143 N THR B 18 4.114 9.257 -1.370 1.00 0.00 N ATOM 1144 CA THR B 18 3.158 10.073 -2.118 1.00 0.00 C ATOM 1145 C THR B 18 3.633 11.526 -2.155 1.00 0.00 C ATOM 1146 O THR B 18 4.234 12.013 -1.198 1.00 0.00 O ATOM 1147 CB THR B 18 1.772 10.003 -1.468 1.00 0.00 C ATOM 1148 OG1 THR B 18 0.807 10.627 -2.295 1.00 0.00 O ATOM 1149 CG2 THR B 18 1.705 10.667 -0.107 1.00 0.00 C ATOM 0 H THR B 18 4.143 9.461 -0.371 1.00 0.00 H new ATOM 0 HA THR B 18 3.091 9.686 -3.135 1.00 0.00 H new ATOM 0 HB THR B 18 1.567 8.940 -1.341 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.081 10.549 -3.233 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.694 10.578 0.292 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.406 10.180 0.570 1.00 0.00 H new ATOM 0 HG23 THR B 18 1.966 11.721 -0.203 1.00 0.00 H new ATOM 1157 N GLU B 19 3.357 12.215 -3.255 1.00 0.00 N ATOM 1158 CA GLU B 19 3.756 13.613 -3.394 1.00 0.00 C ATOM 1159 C GLU B 19 2.540 14.525 -3.282 1.00 0.00 C ATOM 1160 O GLU B 19 1.618 14.442 -4.092 1.00 0.00 O ATOM 1161 CB GLU B 19 4.454 13.836 -4.736 1.00 0.00 C ATOM 1162 CG GLU B 19 4.912 15.271 -4.948 1.00 0.00 C ATOM 1163 CD GLU B 19 5.611 15.473 -6.278 1.00 0.00 C ATOM 1164 OE1 GLU B 19 5.739 14.491 -7.040 1.00 0.00 O ATOM 1165 OE2 GLU B 19 6.032 16.616 -6.559 1.00 0.00 O ATOM 0 H GLU B 19 2.861 11.833 -4.061 1.00 0.00 H new ATOM 0 HA GLU B 19 4.452 13.854 -2.591 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.317 13.173 -4.803 1.00 0.00 H new ATOM 0 HB3 GLU B 19 3.775 13.557 -5.541 1.00 0.00 H new ATOM 0 HG2 GLU B 19 4.050 15.935 -4.891 1.00 0.00 H new ATOM 0 HG3 GLU B 19 5.587 15.555 -4.141 1.00 0.00 H new ATOM 1172 N ALA B 20 2.533 15.391 -2.269 1.00 0.00 N ATOM 1173 CA ALA B 20 1.414 16.300 -2.061 1.00 0.00 C ATOM 1174 C ALA B 20 1.864 17.622 -1.443 1.00 0.00 C ATOM 1175 O ALA B 20 2.856 17.680 -0.718 1.00 0.00 O ATOM 1176 CB ALA B 20 0.361 15.637 -1.186 1.00 0.00 C ATOM 0 H ALA B 20 3.285 15.480 -1.586 1.00 0.00 H new ATOM 0 HA ALA B 20 0.982 16.526 -3.036 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -0.472 16.324 -1.036 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.001 14.731 -1.673 1.00 0.00 H new ATOM 0 HB3 ALA B 20 0.799 15.381 -0.221 1.00 0.00 H new ATOM 1182 N VAL B 21 1.127 18.683 -1.759 1.00 0.00 N ATOM 1183 CA VAL B 21 1.437 20.026 -1.268 1.00 0.00 C ATOM 1184 C VAL B 21 1.631 20.048 0.250 1.00 0.00 C ATOM 1185 O VAL B 21 2.317 20.923 0.780 1.00 0.00 O ATOM 1186 CB VAL B 21 0.321 21.020 -1.641 1.00 0.00 C ATOM 1187 CG1 VAL B 21 0.710 22.436 -1.243 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.007 20.939 -3.126 1.00 0.00 C ATOM 0 H VAL B 21 0.303 18.639 -2.359 1.00 0.00 H new ATOM 0 HA VAL B 21 2.371 20.324 -1.745 1.00 0.00 H new ATOM 0 HB VAL B 21 -0.580 20.750 -1.090 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -0.091 23.123 -1.515 1.00 0.00 H new ATOM 0 HG12 VAL B 21 0.875 22.479 -0.166 1.00 0.00 H new ATOM 0 HG13 VAL B 21 1.625 22.722 -1.762 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -0.784 21.649 -3.370 1.00 0.00 H new ATOM 0 HG22 VAL B 21 0.901 21.180 -3.701 1.00 0.00 H new ATOM 0 HG23 VAL B 21 -0.322 19.930 -3.374 1.00 0.00 H new ATOM 1198 N ASP B 22 1.034 19.085 0.942 1.00 0.00 N ATOM 1199 CA ASP B 22 1.161 19.008 2.397 1.00 0.00 C ATOM 1200 C ASP B 22 0.826 17.610 2.916 1.00 0.00 C ATOM 1201 O ASP B 22 0.441 16.729 2.149 1.00 0.00 O ATOM 1202 CB ASP B 22 0.267 20.052 3.071 1.00 0.00 C ATOM 1203 CG ASP B 22 -1.208 19.812 2.814 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -1.722 18.764 3.255 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.847 20.672 2.173 1.00 0.00 O ATOM 0 H ASP B 22 0.461 18.351 0.526 1.00 0.00 H new ATOM 0 HA ASP B 22 2.201 19.218 2.648 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.451 20.043 4.145 1.00 0.00 H new ATOM 0 HB3 ASP B 22 0.538 21.044 2.710 1.00 0.00 H new ATOM 1210 N ALA B 23 0.985 17.418 4.221 1.00 0.00 N ATOM 1211 CA ALA B 23 0.708 16.127 4.844 1.00 0.00 C ATOM 1212 C ALA B 23 -0.738 15.704 4.631 1.00 0.00 C ATOM 1213 O ALA B 23 -1.017 14.540 4.339 1.00 0.00 O ATOM 1214 CB ALA B 23 1.036 16.174 6.330 1.00 0.00 C ATOM 0 H ALA B 23 1.304 18.139 4.868 1.00 0.00 H new ATOM 0 HA ALA B 23 1.345 15.383 4.366 1.00 0.00 H new ATOM 0 HB1 ALA B 23 0.824 15.204 6.780 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.091 16.413 6.462 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.428 16.939 6.813 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.658 16.652 4.761 1.00 0.00 N ATOM 1221 CA ALA B 24 -3.071 16.363 4.566 1.00 0.00 C ATOM 1222 C ALA B 24 -3.320 15.926 3.133 1.00 0.00 C ATOM 1223 O ALA B 24 -3.880 14.857 2.891 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.923 17.575 4.920 1.00 0.00 C ATOM 0 H ALA B 24 -1.452 17.622 4.999 1.00 0.00 H new ATOM 0 HA ALA B 24 -3.356 15.548 5.232 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.976 17.337 4.767 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.759 17.842 5.964 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.644 18.414 4.283 1.00 0.00 H new ATOM 1230 N THR B 25 -2.871 16.739 2.180 1.00 0.00 N ATOM 1231 CA THR B 25 -3.020 16.409 0.775 1.00 0.00 C ATOM 1232 C THR B 25 -2.444 15.022 0.529 1.00 0.00 C ATOM 1233 O THR B 25 -3.075 14.179 -0.106 1.00 0.00 O ATOM 1234 CB THR B 25 -2.305 17.446 -0.087 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.940 17.547 0.277 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.911 18.830 0.010 1.00 0.00 C ATOM 0 H THR B 25 -2.403 17.627 2.360 1.00 0.00 H new ATOM 0 HA THR B 25 -4.076 16.414 0.506 1.00 0.00 H new ATOM 0 HB THR B 25 -2.415 17.092 -1.112 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.836 17.316 1.224 1.00 0.00 H new ATOM 0 HG21 THR B 25 -2.354 19.517 -0.628 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.951 18.796 -0.315 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.865 19.176 1.043 1.00 0.00 H new ATOM 1244 N ALA B 26 -1.254 14.784 1.077 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.612 13.486 0.955 1.00 0.00 C ATOM 1246 C ALA B 26 -1.529 12.425 1.538 1.00 0.00 C ATOM 1247 O ALA B 26 -1.846 11.431 0.887 1.00 0.00 O ATOM 1248 CB ALA B 26 0.736 13.486 1.663 1.00 0.00 C ATOM 0 H ALA B 26 -0.720 15.473 1.607 1.00 0.00 H new ATOM 0 HA ALA B 26 -0.431 13.267 -0.097 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.201 12.505 1.560 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.382 14.242 1.216 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.592 13.710 2.720 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.977 12.663 2.770 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.886 11.752 3.444 1.00 0.00 C ATOM 1256 C GLU B 27 -4.103 11.470 2.572 1.00 0.00 C ATOM 1257 O GLU B 27 -4.494 10.318 2.396 1.00 0.00 O ATOM 1258 CB GLU B 27 -3.311 12.339 4.794 1.00 0.00 C ATOM 1259 CG GLU B 27 -4.467 11.610 5.464 1.00 0.00 C ATOM 1260 CD GLU B 27 -5.815 11.993 4.884 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -6.187 13.182 4.980 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -6.498 11.107 4.332 1.00 0.00 O ATOM 0 H GLU B 27 -1.721 13.484 3.319 1.00 0.00 H new ATOM 0 HA GLU B 27 -2.371 10.808 3.622 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -2.453 12.329 5.466 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.591 13.383 4.650 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.323 10.535 5.359 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -4.460 11.830 6.532 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.684 12.527 2.012 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.846 12.389 1.144 1.00 0.00 C ATOM 1271 C LYS B 28 -5.479 11.617 -0.115 1.00 0.00 C ATOM 1272 O LYS B 28 -6.154 10.657 -0.484 1.00 0.00 O ATOM 1273 CB LYS B 28 -6.402 13.764 0.772 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.912 14.554 1.966 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.998 13.793 2.706 1.00 0.00 C ATOM 1276 CE LYS B 28 -8.534 14.590 3.885 1.00 0.00 C ATOM 1277 NZ LYS B 28 -9.626 13.867 4.592 1.00 0.00 N ATOM 0 H LYS B 28 -4.368 13.488 2.145 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.614 11.835 1.684 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.623 14.339 0.272 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -7.214 13.637 0.056 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -6.086 14.766 2.645 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -7.302 15.515 1.630 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.814 13.563 2.021 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.600 12.842 3.059 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -7.723 14.795 4.583 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.904 15.553 3.534 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.964 14.443 5.389 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -10.411 13.693 3.932 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -9.267 12.959 4.949 1.00 0.00 H new ATOM 1291 N VAL B 29 -4.393 12.033 -0.761 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.927 11.367 -1.967 1.00 0.00 C ATOM 1293 C VAL B 29 -3.735 9.883 -1.698 1.00 0.00 C ATOM 1294 O VAL B 29 -4.101 9.037 -2.513 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.605 11.975 -2.473 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -2.127 11.261 -3.729 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.766 13.466 -2.731 1.00 0.00 C ATOM 0 H VAL B 29 -3.823 12.826 -0.468 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.683 11.508 -2.739 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.850 11.840 -1.699 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -1.192 11.707 -4.068 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.966 10.206 -3.509 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.880 11.358 -4.511 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.822 13.878 -3.088 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -3.538 13.624 -3.484 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -3.054 13.966 -1.806 1.00 0.00 H new ATOM 1307 N VAL B 30 -3.182 9.577 -0.531 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.969 8.197 -0.137 1.00 0.00 C ATOM 1309 C VAL B 30 -4.313 7.484 -0.038 1.00 0.00 C ATOM 1310 O VAL B 30 -4.476 6.376 -0.546 1.00 0.00 O ATOM 1311 CB VAL B 30 -2.230 8.106 1.212 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -2.020 6.655 1.620 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.899 8.841 1.139 1.00 0.00 C ATOM 0 H VAL B 30 -2.875 10.266 0.155 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.348 7.717 -0.894 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.848 8.583 1.972 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.496 6.618 2.575 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.987 6.161 1.717 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.426 6.146 0.861 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.389 8.767 2.100 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.278 8.393 0.364 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -1.075 9.890 0.901 1.00 0.00 H new ATOM 1323 N LYS B 31 -5.288 8.137 0.604 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.623 7.558 0.744 1.00 0.00 C ATOM 1325 C LYS B 31 -7.122 7.070 -0.608 1.00 0.00 C ATOM 1326 O LYS B 31 -7.587 5.941 -0.739 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.619 8.577 1.308 1.00 0.00 C ATOM 1328 CG LYS B 31 -7.279 9.085 2.701 1.00 0.00 C ATOM 1329 CD LYS B 31 -7.069 7.950 3.688 1.00 0.00 C ATOM 1330 CE LYS B 31 -7.984 8.077 4.897 1.00 0.00 C ATOM 1331 NZ LYS B 31 -7.679 9.295 5.698 1.00 0.00 N ATOM 0 H LYS B 31 -5.177 9.057 1.030 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.550 6.722 1.440 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.674 9.427 0.628 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.610 8.123 1.332 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -6.377 9.695 2.654 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -8.082 9.730 3.057 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -7.253 6.997 3.191 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -6.030 7.942 4.018 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -9.022 8.111 4.565 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -7.879 7.193 5.526 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -7.331 9.015 6.637 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -6.951 9.856 5.212 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -8.542 9.866 5.805 1.00 0.00 H new ATOM 1345 N GLN B 32 -7.010 7.933 -1.611 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.442 7.591 -2.960 1.00 0.00 C ATOM 1347 C GLN B 32 -6.680 6.372 -3.463 1.00 0.00 C ATOM 1348 O GLN B 32 -7.248 5.489 -4.106 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.226 8.774 -3.907 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.706 8.513 -5.327 1.00 0.00 C ATOM 1351 CD GLN B 32 -9.212 8.301 -5.439 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -9.952 8.535 -4.354 1.00 0.00 O flip ATOM 1353 NE2 GLN B 32 -9.713 7.946 -6.507 1.00 0.00 N flip ATOM 0 H GLN B 32 -6.625 8.873 -1.516 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.506 7.356 -2.934 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.747 9.646 -3.511 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.165 9.021 -3.931 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.419 9.354 -5.958 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.195 7.633 -5.717 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -9.118 7.775 -7.318 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -10.723 7.823 -6.581 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.390 6.325 -3.146 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.537 5.210 -3.544 1.00 0.00 C ATOM 1364 C PHE B 33 -5.178 3.888 -3.128 1.00 0.00 C ATOM 1365 O PHE B 33 -5.565 3.076 -3.966 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.158 5.364 -2.886 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.106 4.448 -3.438 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.642 4.615 -4.734 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.575 3.423 -2.666 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.673 3.778 -5.249 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.605 2.583 -3.180 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.154 2.764 -4.474 1.00 0.00 C ATOM 0 H PHE B 33 -4.910 7.050 -2.612 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.419 5.212 -4.628 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.825 6.395 -3.005 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.256 5.182 -1.816 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -2.043 5.409 -5.347 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -1.923 3.281 -1.654 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.321 3.918 -6.260 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.201 1.787 -2.572 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.605 2.111 -4.878 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.292 3.700 -1.821 1.00 0.00 N ATOM 1383 CA PHE B 34 -5.887 2.491 -1.263 1.00 0.00 C ATOM 1384 C PHE B 34 -7.378 2.424 -1.570 1.00 0.00 C ATOM 1385 O PHE B 34 -7.907 1.362 -1.883 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.619 2.428 0.235 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.154 2.446 0.531 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.304 1.564 -0.115 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.619 3.357 1.423 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -1.948 1.589 0.123 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.261 3.385 1.669 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.426 2.499 1.016 1.00 0.00 C ATOM 0 H PHE B 34 -4.978 4.373 -1.122 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.425 1.621 -1.730 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.101 3.272 0.728 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.063 1.522 0.647 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.710 0.848 -0.814 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.269 4.053 1.932 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.295 0.897 -0.389 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -1.852 4.098 2.370 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.363 2.520 1.206 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.045 3.568 -1.506 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.471 3.637 -1.811 1.00 0.00 C ATOM 1404 C ASN B 35 -9.745 2.963 -3.154 1.00 0.00 C ATOM 1405 O ASN B 35 -10.762 2.296 -3.344 1.00 0.00 O ATOM 1406 CB ASN B 35 -9.912 5.098 -1.879 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.376 5.252 -2.233 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.856 4.687 -3.215 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -12.084 6.041 -1.442 1.00 0.00 N ATOM 0 H ASN B 35 -7.624 4.460 -1.246 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.029 3.124 -1.027 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.723 5.575 -0.917 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.307 5.622 -2.619 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -13.072 6.203 -1.635 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.642 6.488 -0.639 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.812 3.167 -4.079 1.00 0.00 N ATOM 1417 CA ASP B 36 -8.912 2.605 -5.424 1.00 0.00 C ATOM 1418 C ASP B 36 -8.180 1.268 -5.553 1.00 0.00 C ATOM 1419 O ASP B 36 -8.511 0.461 -6.421 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.364 3.598 -6.452 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.186 4.871 -6.520 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -9.305 5.557 -5.482 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -9.708 5.183 -7.611 1.00 0.00 O ATOM 0 H ASP B 36 -7.971 3.722 -3.921 1.00 0.00 H new ATOM 0 HA ASP B 36 -9.969 2.419 -5.616 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.333 3.847 -6.199 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.346 3.127 -7.435 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.194 1.022 -4.690 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.447 -0.236 -4.737 1.00 0.00 C ATOM 1430 C ASN B 37 -7.216 -1.332 -4.008 1.00 0.00 C ATOM 1431 O ASN B 37 -7.298 -2.466 -4.477 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.056 -0.084 -4.108 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.181 0.924 -4.830 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -4.156 0.972 -6.058 1.00 0.00 O ATOM 1435 ND2 ASN B 37 -3.429 1.713 -4.065 1.00 0.00 N ATOM 0 H ASN B 37 -6.896 1.668 -3.959 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.324 -0.509 -5.785 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.166 0.220 -3.067 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.557 -1.053 -4.106 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -2.800 2.391 -4.495 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.482 1.639 -3.049 1.00 0.00 H new ATOM 1442 N GLY B 38 -7.753 -0.960 -2.847 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.516 -1.855 -1.984 1.00 0.00 C ATOM 1444 C GLY B 38 -8.969 -3.170 -2.595 1.00 0.00 C ATOM 1445 O GLY B 38 -8.160 -4.056 -2.868 1.00 0.00 O ATOM 0 H GLY B 38 -7.668 -0.014 -2.476 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -7.911 -2.079 -1.106 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.399 -1.320 -1.635 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.282 -3.312 -2.730 1.00 0.00 N ATOM 1450 CA VAL B 39 -10.885 -4.545 -3.223 1.00 0.00 C ATOM 1451 C VAL B 39 -10.794 -4.733 -4.737 1.00 0.00 C ATOM 1452 O VAL B 39 -10.310 -5.765 -5.200 1.00 0.00 O ATOM 1453 CB VAL B 39 -12.362 -4.630 -2.785 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -13.035 -5.866 -3.368 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -12.467 -4.625 -1.266 1.00 0.00 C ATOM 0 H VAL B 39 -10.956 -2.581 -2.502 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.301 -5.350 -2.778 1.00 0.00 H new ATOM 0 HB VAL B 39 -12.882 -3.753 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -14.075 -5.901 -3.043 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.996 -5.822 -4.456 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -12.516 -6.760 -3.022 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -13.515 -4.685 -0.974 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -11.927 -5.481 -0.861 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -12.034 -3.705 -0.874 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.285 -3.775 -5.507 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.275 -3.901 -6.965 1.00 0.00 C ATOM 1467 C ASP B 40 -10.041 -3.266 -7.596 1.00 0.00 C ATOM 1468 O ASP B 40 -10.067 -2.880 -8.765 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.535 -3.269 -7.554 1.00 0.00 C ATOM 1470 CG ASP B 40 -13.803 -3.923 -7.045 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -14.029 -3.903 -5.817 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -14.569 -4.459 -7.874 1.00 0.00 O ATOM 0 H ASP B 40 -11.693 -2.908 -5.156 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.249 -4.966 -7.194 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.554 -2.207 -7.309 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -12.502 -3.345 -8.641 1.00 0.00 H new ATOM 1477 N GLY B 41 -8.962 -3.164 -6.833 1.00 0.00 N ATOM 1478 CA GLY B 41 -7.747 -2.579 -7.366 1.00 0.00 C ATOM 1479 C GLY B 41 -7.173 -3.387 -8.514 1.00 0.00 C ATOM 1480 O GLY B 41 -7.202 -4.618 -8.490 1.00 0.00 O ATOM 0 H GLY B 41 -8.905 -3.473 -5.863 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -7.954 -1.565 -7.707 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.005 -2.503 -6.572 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.645 -2.695 -9.517 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.052 -3.357 -10.675 1.00 0.00 C ATOM 1486 C GLU B 42 -4.581 -3.663 -10.414 1.00 0.00 C ATOM 1487 O GLU B 42 -3.734 -2.772 -10.476 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.194 -2.481 -11.922 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.636 -2.185 -12.295 1.00 0.00 C ATOM 1490 CD GLU B 42 -8.433 -3.443 -12.584 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -8.053 -4.186 -13.513 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -9.436 -3.684 -11.880 1.00 0.00 O ATOM 0 H GLU B 42 -6.615 -1.676 -9.553 1.00 0.00 H new ATOM 0 HA GLU B 42 -6.581 -4.295 -10.845 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.670 -1.540 -11.756 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.704 -2.975 -12.761 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -8.112 -1.636 -11.483 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -7.655 -1.538 -13.172 1.00 0.00 H new ATOM 1499 N TRP B 43 -4.283 -4.925 -10.120 1.00 0.00 N ATOM 1500 CA TRP B 43 -2.907 -5.331 -9.848 1.00 0.00 C ATOM 1501 C TRP B 43 -2.448 -6.408 -10.828 1.00 0.00 C ATOM 1502 O TRP B 43 -3.244 -7.236 -11.274 1.00 0.00 O ATOM 1503 CB TRP B 43 -2.759 -5.899 -8.432 1.00 0.00 C ATOM 1504 CG TRP B 43 -3.526 -5.191 -7.350 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -4.127 -3.961 -7.390 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -3.759 -5.705 -6.037 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -4.732 -3.694 -6.179 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -4.515 -4.751 -5.336 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.401 -6.889 -5.393 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -4.918 -4.946 -4.017 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.799 -7.082 -4.087 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.552 -6.116 -3.410 1.00 0.00 C ATOM 0 H TRP B 43 -4.968 -5.678 -10.064 1.00 0.00 H new ATOM 0 HA TRP B 43 -2.295 -4.435 -9.955 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -3.072 -6.943 -8.447 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -1.702 -5.887 -8.167 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -4.127 -3.298 -8.243 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -5.255 -2.849 -5.950 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -2.822 -7.641 -5.908 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.498 -4.201 -3.493 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -3.525 -7.994 -3.578 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.850 -6.298 -2.388 1.00 0.00 H new ATOM 1523 N THR B 44 -1.154 -6.413 -11.133 1.00 0.00 N ATOM 1524 CA THR B 44 -0.579 -7.412 -12.030 1.00 0.00 C ATOM 1525 C THR B 44 0.464 -8.237 -11.279 1.00 0.00 C ATOM 1526 O THR B 44 1.135 -7.727 -10.380 1.00 0.00 O ATOM 1527 CB THR B 44 0.048 -6.746 -13.257 1.00 0.00 C ATOM 1528 OG1 THR B 44 1.066 -5.840 -12.872 1.00 0.00 O ATOM 1529 CG2 THR B 44 -0.951 -5.983 -14.099 1.00 0.00 C ATOM 0 H THR B 44 -0.482 -5.736 -10.772 1.00 0.00 H new ATOM 0 HA THR B 44 -1.375 -8.071 -12.376 1.00 0.00 H new ATOM 0 HB THR B 44 0.453 -7.564 -13.853 1.00 0.00 H new ATOM 0 HG1 THR B 44 1.615 -6.245 -12.169 1.00 0.00 H new ATOM 0 HG21 THR B 44 -0.441 -5.536 -14.952 1.00 0.00 H new ATOM 0 HG22 THR B 44 -1.723 -6.665 -14.455 1.00 0.00 H new ATOM 0 HG23 THR B 44 -1.409 -5.198 -13.498 1.00 0.00 H new ATOM 1537 N TYR B 45 0.589 -9.512 -11.631 1.00 0.00 N ATOM 1538 CA TYR B 45 1.543 -10.395 -10.962 1.00 0.00 C ATOM 1539 C TYR B 45 2.686 -10.796 -11.890 1.00 0.00 C ATOM 1540 O TYR B 45 2.483 -11.018 -13.085 1.00 0.00 O ATOM 1541 CB TYR B 45 0.824 -11.645 -10.446 1.00 0.00 C ATOM 1542 CG TYR B 45 1.708 -12.579 -9.652 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.687 -12.087 -8.797 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.559 -13.957 -9.752 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.493 -12.939 -8.069 1.00 0.00 C ATOM 1546 CE2 TYR B 45 2.361 -14.817 -9.025 1.00 0.00 C ATOM 1547 CZ TYR B 45 3.327 -14.303 -8.185 1.00 0.00 C ATOM 1548 OH TYR B 45 4.127 -15.154 -7.459 1.00 0.00 O ATOM 0 H TYR B 45 0.046 -9.957 -12.371 1.00 0.00 H new ATOM 0 HA TYR B 45 1.972 -9.848 -10.123 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.015 -11.337 -9.822 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.408 -12.189 -11.294 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.819 -11.020 -8.700 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.804 -14.363 -10.409 1.00 0.00 H new ATOM 0 HE1 TYR B 45 4.250 -12.539 -7.411 1.00 0.00 H new ATOM 0 HE2 TYR B 45 2.232 -15.886 -9.114 1.00 0.00 H new ATOM 0 HH TYR B 45 3.989 -14.996 -6.502 1.00 0.00 H new ATOM 1558 N ASP B 46 3.888 -10.895 -11.327 1.00 0.00 N ATOM 1559 CA ASP B 46 5.071 -11.279 -12.091 1.00 0.00 C ATOM 1560 C ASP B 46 5.729 -12.513 -11.480 1.00 0.00 C ATOM 1561 O ASP B 46 6.650 -12.401 -10.670 1.00 0.00 O ATOM 1562 CB ASP B 46 6.070 -10.120 -12.140 1.00 0.00 C ATOM 1563 CG ASP B 46 7.316 -10.458 -12.938 1.00 0.00 C ATOM 1564 OD1 ASP B 46 7.402 -11.594 -13.452 1.00 0.00 O ATOM 1565 OD2 ASP B 46 8.205 -9.588 -13.048 1.00 0.00 O ATOM 0 H ASP B 46 4.068 -10.713 -10.340 1.00 0.00 H new ATOM 0 HA ASP B 46 4.760 -11.520 -13.107 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.587 -9.247 -12.579 1.00 0.00 H new ATOM 0 HB3 ASP B 46 6.356 -9.848 -11.124 1.00 0.00 H new ATOM 1570 N ASP B 47 5.242 -13.688 -11.866 1.00 0.00 N ATOM 1571 CA ASP B 47 5.767 -14.953 -11.355 1.00 0.00 C ATOM 1572 C ASP B 47 7.295 -14.982 -11.379 1.00 0.00 C ATOM 1573 O ASP B 47 7.930 -15.519 -10.472 1.00 0.00 O ATOM 1574 CB ASP B 47 5.221 -16.122 -12.178 1.00 0.00 C ATOM 1575 CG ASP B 47 3.705 -16.155 -12.211 1.00 0.00 C ATOM 1576 OD1 ASP B 47 3.077 -15.254 -11.617 1.00 0.00 O ATOM 1577 OD2 ASP B 47 3.145 -17.080 -12.834 1.00 0.00 O ATOM 0 H ASP B 47 4.479 -13.792 -12.535 1.00 0.00 H new ATOM 0 HA ASP B 47 5.441 -15.048 -10.319 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.601 -16.053 -13.197 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.592 -17.059 -11.762 1.00 0.00 H new ATOM 1582 N ALA B 48 7.877 -14.422 -12.433 1.00 0.00 N ATOM 1583 CA ALA B 48 9.330 -14.402 -12.591 1.00 0.00 C ATOM 1584 C ALA B 48 10.038 -13.893 -11.339 1.00 0.00 C ATOM 1585 O ALA B 48 11.149 -14.324 -11.030 1.00 0.00 O ATOM 1586 CB ALA B 48 9.711 -13.549 -13.792 1.00 0.00 C ATOM 0 H ALA B 48 7.365 -13.974 -13.193 1.00 0.00 H new ATOM 0 HA ALA B 48 9.656 -15.429 -12.754 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.795 -13.540 -13.902 1.00 0.00 H new ATOM 0 HB2 ALA B 48 9.258 -13.965 -14.692 1.00 0.00 H new ATOM 0 HB3 ALA B 48 9.353 -12.530 -13.643 1.00 0.00 H new ATOM 1592 N THR B 49 9.400 -12.975 -10.621 1.00 0.00 N ATOM 1593 CA THR B 49 9.989 -12.418 -9.407 1.00 0.00 C ATOM 1594 C THR B 49 9.030 -12.501 -8.221 1.00 0.00 C ATOM 1595 O THR B 49 9.259 -11.870 -7.188 1.00 0.00 O ATOM 1596 CB THR B 49 10.400 -10.963 -9.637 1.00 0.00 C ATOM 1597 OG1 THR B 49 9.279 -10.179 -10.006 1.00 0.00 O ATOM 1598 CG2 THR B 49 11.449 -10.799 -10.715 1.00 0.00 C ATOM 0 H THR B 49 8.480 -12.602 -10.856 1.00 0.00 H new ATOM 0 HA THR B 49 10.870 -13.014 -9.169 1.00 0.00 H new ATOM 0 HB THR B 49 10.822 -10.629 -8.689 1.00 0.00 H new ATOM 0 HG1 THR B 49 9.191 -10.172 -10.982 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.694 -9.743 -10.826 1.00 0.00 H new ATOM 0 HG22 THR B 49 12.346 -11.353 -10.437 1.00 0.00 H new ATOM 0 HG23 THR B 49 11.063 -11.183 -11.659 1.00 0.00 H new ATOM 1606 N LYS B 50 7.953 -13.270 -8.369 1.00 0.00 N ATOM 1607 CA LYS B 50 6.969 -13.411 -7.298 1.00 0.00 C ATOM 1608 C LYS B 50 6.562 -12.044 -6.760 1.00 0.00 C ATOM 1609 O LYS B 50 6.309 -11.881 -5.564 1.00 0.00 O ATOM 1610 CB LYS B 50 7.532 -14.262 -6.164 1.00 0.00 C ATOM 1611 CG LYS B 50 7.846 -15.689 -6.574 1.00 0.00 C ATOM 1612 CD LYS B 50 7.365 -16.674 -5.525 1.00 0.00 C ATOM 1613 CE LYS B 50 7.718 -18.105 -5.896 1.00 0.00 C ATOM 1614 NZ LYS B 50 9.189 -18.297 -6.041 1.00 0.00 N ATOM 0 H LYS B 50 7.740 -13.801 -9.213 1.00 0.00 H new ATOM 0 HA LYS B 50 6.089 -13.905 -7.710 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.440 -13.793 -5.786 1.00 0.00 H new ATOM 0 HB3 LYS B 50 6.816 -14.278 -5.343 1.00 0.00 H new ATOM 0 HG2 LYS B 50 7.371 -15.909 -7.530 1.00 0.00 H new ATOM 0 HG3 LYS B 50 8.920 -15.802 -6.718 1.00 0.00 H new ATOM 0 HD2 LYS B 50 7.811 -16.427 -4.562 1.00 0.00 H new ATOM 0 HD3 LYS B 50 6.285 -16.584 -5.409 1.00 0.00 H new ATOM 0 HE2 LYS B 50 7.338 -18.782 -5.131 1.00 0.00 H new ATOM 0 HE3 LYS B 50 7.224 -18.370 -6.831 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 9.408 -19.314 -6.041 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 9.508 -17.874 -6.936 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 9.679 -17.837 -5.247 1.00 0.00 H new ATOM 1628 N THR B 51 6.520 -11.056 -7.650 1.00 0.00 N ATOM 1629 CA THR B 51 6.163 -9.698 -7.264 1.00 0.00 C ATOM 1630 C THR B 51 4.898 -9.229 -7.976 1.00 0.00 C ATOM 1631 O THR B 51 4.681 -9.525 -9.152 1.00 0.00 O ATOM 1632 CB THR B 51 7.320 -8.747 -7.573 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.496 -9.149 -6.892 1.00 0.00 O ATOM 1634 CG2 THR B 51 7.036 -7.311 -7.187 1.00 0.00 C ATOM 0 H THR B 51 6.729 -11.172 -8.642 1.00 0.00 H new ATOM 0 HA THR B 51 5.965 -9.694 -6.192 1.00 0.00 H new ATOM 0 HB THR B 51 7.452 -8.797 -8.654 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.716 -10.072 -7.137 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.898 -6.691 -7.433 1.00 0.00 H new ATOM 0 HG22 THR B 51 6.163 -6.953 -7.733 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.842 -7.254 -6.116 1.00 0.00 H new ATOM 1642 N PHE B 52 4.068 -8.492 -7.246 1.00 0.00 N ATOM 1643 CA PHE B 52 2.819 -7.965 -7.785 1.00 0.00 C ATOM 1644 C PHE B 52 2.884 -6.442 -7.868 1.00 0.00 C ATOM 1645 O PHE B 52 3.512 -5.804 -7.034 1.00 0.00 O ATOM 1646 CB PHE B 52 1.641 -8.363 -6.887 1.00 0.00 C ATOM 1647 CG PHE B 52 1.574 -9.827 -6.547 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.591 -10.436 -5.824 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.483 -10.591 -6.930 1.00 0.00 C ATOM 1650 CE1 PHE B 52 2.521 -11.777 -5.498 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.407 -11.932 -6.604 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.428 -12.526 -5.888 1.00 0.00 C ATOM 0 H PHE B 52 4.240 -8.244 -6.272 1.00 0.00 H new ATOM 0 HA PHE B 52 2.674 -8.382 -8.782 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.699 -7.791 -5.961 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.713 -8.076 -7.381 1.00 0.00 H new ATOM 0 HD1 PHE B 52 3.447 -9.855 -5.513 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.318 -10.133 -7.491 1.00 0.00 H new ATOM 0 HE1 PHE B 52 3.321 -12.239 -4.938 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.450 -12.515 -6.909 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.372 -13.574 -5.634 1.00 0.00 H new ATOM 1662 N THR B 53 2.222 -5.859 -8.859 1.00 0.00 N ATOM 1663 CA THR B 53 2.203 -4.406 -9.003 1.00 0.00 C ATOM 1664 C THR B 53 0.775 -3.873 -8.993 1.00 0.00 C ATOM 1665 O THR B 53 -0.082 -4.342 -9.742 1.00 0.00 O ATOM 1666 CB THR B 53 2.928 -3.960 -10.274 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.648 -4.834 -11.351 1.00 0.00 O ATOM 1668 CG2 THR B 53 4.429 -3.870 -10.108 1.00 0.00 C ATOM 0 H THR B 53 1.694 -6.364 -9.571 1.00 0.00 H new ATOM 0 HA THR B 53 2.734 -3.989 -8.147 1.00 0.00 H new ATOM 0 HB THR B 53 2.551 -2.959 -10.485 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.752 -4.646 -11.700 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.880 -3.548 -11.047 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.666 -3.149 -9.326 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.824 -4.848 -9.832 1.00 0.00 H new ATOM 1676 N VAL B 54 0.533 -2.882 -8.141 1.00 0.00 N ATOM 1677 CA VAL B 54 -0.784 -2.268 -8.029 1.00 0.00 C ATOM 1678 C VAL B 54 -0.793 -0.907 -8.717 1.00 0.00 C ATOM 1679 O VAL B 54 -0.250 0.067 -8.195 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.208 -2.108 -6.552 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -2.578 -1.452 -6.453 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.204 -3.456 -5.846 1.00 0.00 C ATOM 0 H VAL B 54 1.235 -2.486 -7.516 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.499 -2.928 -8.520 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.485 -1.460 -6.056 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -2.857 -1.349 -5.404 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -2.544 -0.467 -6.918 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.315 -2.070 -6.966 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.505 -3.323 -4.807 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -1.902 -4.129 -6.343 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.201 -3.882 -5.882 1.00 0.00 H new ATOM 1692 N THR B 55 -1.403 -0.849 -9.897 1.00 0.00 N ATOM 1693 CA THR B 55 -1.464 0.392 -10.658 1.00 0.00 C ATOM 1694 C THR B 55 -2.820 1.074 -10.504 1.00 0.00 C ATOM 1695 O THR B 55 -3.853 0.518 -10.878 1.00 0.00 O ATOM 1696 CB THR B 55 -1.175 0.126 -12.135 1.00 0.00 C ATOM 1697 OG1 THR B 55 0.023 -0.614 -12.284 1.00 0.00 O ATOM 1698 CG2 THR B 55 -1.026 1.396 -12.943 1.00 0.00 C ATOM 0 H THR B 55 -1.860 -1.644 -10.344 1.00 0.00 H new ATOM 0 HA THR B 55 -0.702 1.062 -10.260 1.00 0.00 H new ATOM 0 HB THR B 55 -2.034 -0.432 -12.507 1.00 0.00 H new ATOM 0 HG1 THR B 55 0.191 -0.776 -13.236 1.00 0.00 H new ATOM 0 HG21 THR B 55 -0.822 1.143 -13.984 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.948 1.975 -12.884 1.00 0.00 H new ATOM 0 HG23 THR B 55 -0.201 1.986 -12.544 1.00 0.00 H new ATOM 1706 N GLU B 56 -2.809 2.283 -9.947 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.038 3.040 -9.739 1.00 0.00 C ATOM 1708 C GLU B 56 -4.574 3.579 -11.063 1.00 0.00 C ATOM 1709 O GLU B 56 -5.805 3.527 -11.264 1.00 0.00 O ATOM 1710 CB GLU B 56 -3.787 4.195 -8.768 1.00 0.00 C ATOM 1711 CG GLU B 56 -5.021 5.035 -8.488 1.00 0.00 C ATOM 1712 CD GLU B 56 -4.744 6.179 -7.533 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -3.893 7.034 -7.861 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -5.377 6.222 -6.457 1.00 0.00 O ATOM 1715 OXT GLU B 56 -3.759 4.047 -11.884 1.00 0.00 O ATOM 0 H GLU B 56 -1.963 2.758 -9.632 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.784 2.370 -9.312 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -3.411 3.792 -7.827 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.006 4.837 -9.175 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -5.404 5.435 -9.427 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -5.802 4.399 -8.070 1.00 0.00 H new TER 1722 GLU B 56