USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1288 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 60 GLN : amide:sc= 0.197 K(o=2.7,f=-9.5!) USER MOD Set 1.2: B 63 LYS NZ :NH3+ -170:sc= 2.5 (180deg=1.17) USER MOD Set 2.1: A 72 ASN : amide:sc= -2.41! C(o=-8!,f=-10!) USER MOD Set 2.2: B 55 GLN : amide:sc= -5.62! C(o=-8!,f=-9!) USER MOD Set 3.1: B 6 LYS NZ :NH3+ -171:sc= 1.08 (180deg=0) USER MOD Set 3.2: B 7 TYR OH : rot -163:sc= 2.19 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.0158 (180deg=-0.0269) USER MOD Single : A 4 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 5 SER OG : rot 57:sc= -0.188 USER MOD Single : A 6 LYS NZ :NH3+ -153:sc= 0.559 (180deg=0.269) USER MOD Single : A 7 TYR OH : rot 165:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.00236 USER MOD Single : A 9 ASN : amide:sc=-0.00173 K(o=-0.0017,f=-1.5) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.75) USER MOD Single : A 14 SER OG : rot -83:sc= 1.23 USER MOD Single : A 25 LYS NZ :NH3+ -152:sc= -1.95 (180deg=-3.19!) USER MOD Single : A 26 HIS : no HD1:sc= 0.874 K(o=0.87,f=-5.5!) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= -0.12 (180deg=-0.511) USER MOD Single : A 30 THR OG1 : rot -120:sc= -0.608 USER MOD Single : A 33 SER OG : rot 66:sc= 0.873 USER MOD Single : A 35 MET CE :methyl -161:sc= -0.126 (180deg=-0.581) USER MOD Single : A 39 ASN : amide:sc= -0.0524 K(o=-0.052,f=-1.2!) USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 81:sc= 1.15 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0027 USER MOD Single : A 53 SER OG : rot -28:sc= 0.383 USER MOD Single : A 55 GLN : amide:sc= 0.05 K(o=0.05,f=-2.2!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0.791 K(o=0.79,f=-0.12) USER MOD Single : A 68 SER OG : rot 83:sc= 1.26 USER MOD Single : A 70 LYS NZ :NH3+ -170:sc= -0.978! (180deg=-1.13!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 78 HIS : no HE2:sc= 1.05 K(o=1.1,f=-5.7!) USER MOD Single : A 79 HIS : no HD1:sc= -0.0199 X(o=-0.02,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0083) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 SER OG : rot 180:sc= -0.02 USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 GLN : amide:sc= 0.481 K(o=0.48,f=-0.093) USER MOD Single : B 14 SER OG : rot 95:sc= 1.23 USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 HIS : no HD1:sc= -2.46 K(o=-2.5,f=-4.5!) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0395 USER MOD Single : B 33 SER OG : rot 79:sc= 0.316 USER MOD Single : B 35 MET CE :methyl -160:sc= -0.13 (180deg=-0.718) USER MOD Single : B 39 ASN : amide:sc= 0.938 K(o=0.94,f=0) USER MOD Single : B 40 CYS SG : rot 180:sc= 0 USER MOD Single : B 42 THR OG1 : rot 87:sc= 1.2 USER MOD Single : B 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 48 LYS NZ :NH3+ 148:sc= -0.214 (180deg=-0.966) USER MOD Single : B 51 SER OG : rot 180:sc= 0.00932 USER MOD Single : B 53 SER OG : rot 46:sc= 0.374 USER MOD Single : B 67 GLN :FLIP amide:sc= -0.521 F(o=-1.9!,f=-0.52) USER MOD Single : B 68 SER OG : rot 76:sc= 1.2 USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 SER OG : rot 92:sc= 1.27 USER MOD Single : B 72 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : B 75 HIS : no HE2:sc= 0.0373 K(o=0.037,f=-0.54) USER MOD Single : B 76 HIS : no HD1:sc= -0.0915 X(o=-0.091,f=-0.0079) USER MOD Single : B 77 HIS : no HE2:sc= 1.08 K(o=1.1,f=-6.2!) USER MOD Single : B 78 HIS : no HE2:sc= -0.23 X(o=-0.23,f=-0.55) USER MOD Single : B 79 HIS : no HD1:sc= -0.439 X(o=-0.44,f=-0.43) USER MOD Single : B 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.527 25.132 -19.320 1.00 0.00 N ATOM 2 CA MET A 1 -2.976 24.365 -18.136 1.00 0.00 C ATOM 3 C MET A 1 -1.785 23.849 -17.347 1.00 0.00 C ATOM 4 O MET A 1 -0.751 23.501 -17.920 1.00 0.00 O ATOM 5 CB MET A 1 -3.851 23.179 -18.550 1.00 0.00 C ATOM 6 CG MET A 1 -5.175 23.576 -19.179 1.00 0.00 C ATOM 7 SD MET A 1 -6.200 22.149 -19.585 1.00 0.00 S ATOM 8 CE MET A 1 -7.616 22.952 -20.336 1.00 0.00 C ATOM 0 H1 MET A 1 -2.872 26.111 -19.251 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.488 25.133 -19.359 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.905 24.692 -20.183 1.00 0.00 H new ATOM 0 HA MET A 1 -3.561 25.041 -17.512 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.296 22.561 -19.256 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.048 22.563 -17.673 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.718 24.227 -18.494 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.985 24.153 -20.084 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.342 22.198 -20.641 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.076 23.628 -19.615 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.292 23.519 -21.209 1.00 0.00 H new ATOM 20 N ALA A 2 -1.931 23.798 -16.034 1.00 0.00 N ATOM 21 CA ALA A 2 -0.897 23.246 -15.176 1.00 0.00 C ATOM 22 C ALA A 2 -1.337 21.898 -14.617 1.00 0.00 C ATOM 23 O ALA A 2 -0.986 20.856 -15.170 1.00 0.00 O ATOM 24 CB ALA A 2 -0.555 24.217 -14.057 1.00 0.00 C ATOM 0 H ALA A 2 -2.757 24.133 -15.538 1.00 0.00 H new ATOM 0 HA ALA A 2 0.003 23.090 -15.770 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.221 23.785 -13.425 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.196 25.153 -14.485 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.445 24.410 -13.458 1.00 0.00 H new ATOM 30 N ILE A 3 -2.126 21.938 -13.542 1.00 0.00 N ATOM 31 CA ILE A 3 -2.683 20.736 -12.914 1.00 0.00 C ATOM 32 C ILE A 3 -1.587 19.745 -12.509 1.00 0.00 C ATOM 33 O ILE A 3 -1.156 18.908 -13.303 1.00 0.00 O ATOM 34 CB ILE A 3 -3.705 20.028 -13.836 1.00 0.00 C ATOM 35 CG1 ILE A 3 -4.769 21.020 -14.332 1.00 0.00 C ATOM 36 CG2 ILE A 3 -4.365 18.863 -13.109 1.00 0.00 C ATOM 37 CD1 ILE A 3 -5.579 21.666 -13.226 1.00 0.00 C ATOM 0 H ILE A 3 -2.398 22.806 -13.080 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.198 21.073 -12.014 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.169 19.638 -14.701 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.279 21.802 -14.912 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.448 20.500 -15.008 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.080 18.378 -13.773 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.603 18.144 -12.808 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.884 19.233 -12.225 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -6.307 22.351 -13.661 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.101 20.895 -12.659 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.913 22.217 -12.562 1.00 0.00 H new ATOM 49 N GLN A 4 -1.137 19.846 -11.269 1.00 0.00 N ATOM 50 CA GLN A 4 -0.084 18.972 -10.776 1.00 0.00 C ATOM 51 C GLN A 4 -0.653 17.894 -9.865 1.00 0.00 C ATOM 52 O GLN A 4 -1.141 18.197 -8.779 1.00 0.00 O ATOM 53 CB GLN A 4 0.969 19.773 -10.014 1.00 0.00 C ATOM 54 CG GLN A 4 1.689 20.811 -10.854 1.00 0.00 C ATOM 55 CD GLN A 4 2.758 21.542 -10.068 1.00 0.00 C ATOM 56 OE1 GLN A 4 2.554 21.661 -8.764 1.00 0.00 O flip ATOM 57 NE2 GLN A 4 3.762 21.989 -10.625 1.00 0.00 N flip ATOM 0 H GLN A 4 -1.482 20.522 -10.587 1.00 0.00 H new ATOM 0 HA GLN A 4 0.381 18.497 -11.640 1.00 0.00 H new ATOM 0 HB2 GLN A 4 0.490 20.272 -9.172 1.00 0.00 H new ATOM 0 HB3 GLN A 4 1.704 19.083 -9.600 1.00 0.00 H new ATOM 0 HG2 GLN A 4 2.144 20.325 -11.718 1.00 0.00 H new ATOM 0 HG3 GLN A 4 0.966 21.531 -11.237 1.00 0.00 H new ATOM 0 HE21 GLN A 4 3.880 21.876 -11.632 1.00 0.00 H new ATOM 0 HE22 GLN A 4 4.475 22.472 -10.079 1.00 0.00 H new ATOM 66 N SER A 5 -0.602 16.646 -10.342 1.00 0.00 N ATOM 67 CA SER A 5 -0.975 15.450 -9.563 1.00 0.00 C ATOM 68 C SER A 5 -2.331 15.569 -8.854 1.00 0.00 C ATOM 69 O SER A 5 -2.584 14.851 -7.885 1.00 0.00 O ATOM 70 CB SER A 5 0.133 15.103 -8.553 1.00 0.00 C ATOM 71 OG SER A 5 0.597 16.249 -7.852 1.00 0.00 O ATOM 0 H SER A 5 -0.297 16.430 -11.291 1.00 0.00 H new ATOM 0 HA SER A 5 -1.084 14.640 -10.284 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.244 14.371 -7.839 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.967 14.637 -9.077 1.00 0.00 H new ATOM 0 HG SER A 5 -0.155 16.679 -7.394 1.00 0.00 H new ATOM 77 N LYS A 6 -3.206 16.443 -9.364 1.00 0.00 N ATOM 78 CA LYS A 6 -4.533 16.681 -8.780 1.00 0.00 C ATOM 79 C LYS A 6 -4.427 17.409 -7.433 1.00 0.00 C ATOM 80 O LYS A 6 -4.973 18.500 -7.269 1.00 0.00 O ATOM 81 CB LYS A 6 -5.313 15.363 -8.638 1.00 0.00 C ATOM 82 CG LYS A 6 -6.700 15.514 -8.032 1.00 0.00 C ATOM 83 CD LYS A 6 -7.463 14.198 -8.082 1.00 0.00 C ATOM 84 CE LYS A 6 -8.838 14.313 -7.441 1.00 0.00 C ATOM 85 NZ LYS A 6 -9.610 13.045 -7.555 1.00 0.00 N ATOM 0 H LYS A 6 -3.015 17.006 -10.193 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.086 17.328 -9.461 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.408 14.904 -9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.733 14.677 -8.021 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -6.615 15.850 -6.999 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.255 16.281 -8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.572 13.881 -9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.888 13.426 -7.571 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.728 14.578 -6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.394 15.121 -7.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.628 13.257 -7.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.363 12.567 -8.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.378 12.424 -6.753 1.00 0.00 H new ATOM 99 N TYR A 7 -3.721 16.810 -6.481 1.00 0.00 N ATOM 100 CA TYR A 7 -3.509 17.426 -5.176 1.00 0.00 C ATOM 101 C TYR A 7 -2.154 18.124 -5.141 1.00 0.00 C ATOM 102 O TYR A 7 -1.247 17.763 -5.892 1.00 0.00 O ATOM 103 CB TYR A 7 -3.573 16.378 -4.061 1.00 0.00 C ATOM 104 CG TYR A 7 -4.929 15.726 -3.894 1.00 0.00 C ATOM 105 CD1 TYR A 7 -5.899 16.300 -3.082 1.00 0.00 C ATOM 106 CD2 TYR A 7 -5.234 14.534 -4.537 1.00 0.00 C ATOM 107 CE1 TYR A 7 -7.136 15.704 -2.917 1.00 0.00 C ATOM 108 CE2 TYR A 7 -6.466 13.931 -4.375 1.00 0.00 C ATOM 109 CZ TYR A 7 -7.413 14.520 -3.567 1.00 0.00 C ATOM 110 OH TYR A 7 -8.640 13.917 -3.401 1.00 0.00 O ATOM 0 H TYR A 7 -3.284 15.895 -6.589 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.300 18.158 -5.014 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.833 15.604 -4.264 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.291 16.849 -3.119 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.684 17.227 -2.571 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -4.496 14.070 -5.174 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.880 16.163 -2.283 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.686 13.002 -4.880 1.00 0.00 H new ATOM 0 HH TYR A 7 -8.764 13.233 -4.091 1.00 0.00 H new ATOM 120 N SER A 8 -2.022 19.119 -4.271 1.00 0.00 N ATOM 121 CA SER A 8 -0.777 19.866 -4.155 1.00 0.00 C ATOM 122 C SER A 8 0.327 18.999 -3.550 1.00 0.00 C ATOM 123 O SER A 8 0.066 18.160 -2.680 1.00 0.00 O ATOM 124 CB SER A 8 -0.998 21.127 -3.314 1.00 0.00 C ATOM 125 OG SER A 8 -1.638 20.821 -2.085 1.00 0.00 O ATOM 0 H SER A 8 -2.760 19.426 -3.638 1.00 0.00 H new ATOM 0 HA SER A 8 -0.457 20.163 -5.154 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.040 21.608 -3.118 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.604 21.839 -3.875 1.00 0.00 H new ATOM 0 HG SER A 8 -1.765 21.644 -1.568 1.00 0.00 H new ATOM 131 N ASN A 9 1.557 19.212 -4.016 1.00 0.00 N ATOM 132 CA ASN A 9 2.703 18.403 -3.599 1.00 0.00 C ATOM 133 C ASN A 9 2.846 18.371 -2.084 1.00 0.00 C ATOM 134 O ASN A 9 2.875 17.300 -1.485 1.00 0.00 O ATOM 135 CB ASN A 9 4.009 18.928 -4.208 1.00 0.00 C ATOM 136 CG ASN A 9 4.130 18.682 -5.700 1.00 0.00 C ATOM 137 OD1 ASN A 9 3.151 18.752 -6.443 1.00 0.00 O ATOM 138 ND2 ASN A 9 5.340 18.373 -6.143 1.00 0.00 N ATOM 0 H ASN A 9 1.787 19.944 -4.688 1.00 0.00 H new ATOM 0 HA ASN A 9 2.515 17.392 -3.961 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.083 19.999 -4.018 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.851 18.456 -3.702 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.487 18.182 -7.134 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.125 18.326 -5.493 1.00 0.00 H new ATOM 145 N THR A 10 2.920 19.548 -1.471 1.00 0.00 N ATOM 146 CA THR A 10 3.166 19.661 -0.037 1.00 0.00 C ATOM 147 C THR A 10 2.110 18.917 0.784 1.00 0.00 C ATOM 148 O THR A 10 2.427 18.307 1.807 1.00 0.00 O ATOM 149 CB THR A 10 3.210 21.138 0.396 1.00 0.00 C ATOM 150 OG1 THR A 10 4.116 21.862 -0.452 1.00 0.00 O ATOM 151 CG2 THR A 10 3.659 21.267 1.845 1.00 0.00 C ATOM 0 H THR A 10 2.812 20.443 -1.949 1.00 0.00 H new ATOM 0 HA THR A 10 4.134 19.199 0.156 1.00 0.00 H new ATOM 0 HB THR A 10 2.206 21.553 0.306 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.142 22.802 -0.176 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.682 22.320 2.126 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.961 20.734 2.491 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.656 20.840 1.956 1.00 0.00 H new ATOM 159 N GLN A 11 0.863 18.948 0.326 1.00 0.00 N ATOM 160 CA GLN A 11 -0.221 18.281 1.034 1.00 0.00 C ATOM 161 C GLN A 11 0.016 16.773 1.075 1.00 0.00 C ATOM 162 O GLN A 11 0.022 16.166 2.146 1.00 0.00 O ATOM 163 CB GLN A 11 -1.562 18.589 0.371 1.00 0.00 C ATOM 164 CG GLN A 11 -2.754 18.011 1.114 1.00 0.00 C ATOM 165 CD GLN A 11 -4.074 18.390 0.483 1.00 0.00 C ATOM 166 OE1 GLN A 11 -4.204 19.450 -0.128 1.00 0.00 O ATOM 167 NE2 GLN A 11 -5.066 17.528 0.624 1.00 0.00 N ATOM 0 H GLN A 11 0.580 19.426 -0.529 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.246 18.656 2.057 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.681 19.670 0.295 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.554 18.197 -0.646 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.668 16.925 1.142 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.737 18.359 2.147 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.918 16.660 1.138 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.980 17.731 0.219 1.00 0.00 H new ATOM 176 N VAL A 12 0.237 16.182 -0.091 1.00 0.00 N ATOM 177 CA VAL A 12 0.500 14.751 -0.182 1.00 0.00 C ATOM 178 C VAL A 12 1.805 14.411 0.535 1.00 0.00 C ATOM 179 O VAL A 12 1.880 13.441 1.288 1.00 0.00 O ATOM 180 CB VAL A 12 0.588 14.282 -1.653 1.00 0.00 C ATOM 181 CG1 VAL A 12 0.706 12.767 -1.737 1.00 0.00 C ATOM 182 CG2 VAL A 12 -0.615 14.769 -2.446 1.00 0.00 C ATOM 0 H VAL A 12 0.240 16.670 -0.987 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.332 14.232 0.295 1.00 0.00 H new ATOM 0 HB VAL A 12 1.487 14.716 -2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.766 12.464 -2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.605 12.442 -1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.169 12.308 -1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.533 14.428 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.528 14.370 -2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.648 15.858 -2.425 1.00 0.00 H new ATOM 192 N GLU A 13 2.813 15.246 0.310 1.00 0.00 N ATOM 193 CA GLU A 13 4.141 15.064 0.885 1.00 0.00 C ATOM 194 C GLU A 13 4.087 14.961 2.409 1.00 0.00 C ATOM 195 O GLU A 13 4.614 14.015 2.996 1.00 0.00 O ATOM 196 CB GLU A 13 5.031 16.237 0.470 1.00 0.00 C ATOM 197 CG GLU A 13 6.475 16.127 0.916 1.00 0.00 C ATOM 198 CD GLU A 13 7.299 17.317 0.465 1.00 0.00 C ATOM 199 OE1 GLU A 13 7.642 17.384 -0.735 1.00 0.00 O ATOM 200 OE2 GLU A 13 7.596 18.195 1.301 1.00 0.00 O ATOM 0 H GLU A 13 2.731 16.074 -0.280 1.00 0.00 H new ATOM 0 HA GLU A 13 4.554 14.128 0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.007 16.327 -0.616 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.609 17.156 0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.514 16.049 2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.910 15.212 0.515 1.00 0.00 H new ATOM 207 N SER A 14 3.439 15.930 3.044 1.00 0.00 N ATOM 208 CA SER A 14 3.366 15.972 4.497 1.00 0.00 C ATOM 209 C SER A 14 2.545 14.804 5.048 1.00 0.00 C ATOM 210 O SER A 14 2.805 14.319 6.152 1.00 0.00 O ATOM 211 CB SER A 14 2.790 17.314 4.960 1.00 0.00 C ATOM 212 OG SER A 14 1.569 17.609 4.302 1.00 0.00 O ATOM 0 H SER A 14 2.957 16.697 2.575 1.00 0.00 H new ATOM 0 HA SER A 14 4.377 15.874 4.891 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.627 17.289 6.038 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.511 18.108 4.765 1.00 0.00 H new ATOM 0 HG SER A 14 1.757 18.014 3.430 1.00 0.00 H new ATOM 218 N LEU A 15 1.562 14.352 4.276 1.00 0.00 N ATOM 219 CA LEU A 15 0.762 13.196 4.661 1.00 0.00 C ATOM 220 C LEU A 15 1.599 11.923 4.621 1.00 0.00 C ATOM 221 O LEU A 15 1.588 11.140 5.570 1.00 0.00 O ATOM 222 CB LEU A 15 -0.460 13.054 3.752 1.00 0.00 C ATOM 223 CG LEU A 15 -1.764 13.638 4.303 1.00 0.00 C ATOM 224 CD1 LEU A 15 -1.611 15.116 4.628 1.00 0.00 C ATOM 225 CD2 LEU A 15 -2.892 13.426 3.306 1.00 0.00 C ATOM 0 H LEU A 15 1.301 14.768 3.382 1.00 0.00 H new ATOM 0 HA LEU A 15 0.416 13.352 5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.240 13.536 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.616 11.995 3.545 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.007 13.117 5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.553 15.502 5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.829 15.245 5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.341 15.661 3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.815 13.845 3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.646 13.922 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.025 12.359 3.128 1.00 0.00 H new ATOM 237 N ILE A 16 2.332 11.731 3.526 1.00 0.00 N ATOM 238 CA ILE A 16 3.202 10.568 3.376 1.00 0.00 C ATOM 239 C ILE A 16 4.225 10.522 4.506 1.00 0.00 C ATOM 240 O ILE A 16 4.458 9.468 5.102 1.00 0.00 O ATOM 241 CB ILE A 16 3.943 10.583 2.021 1.00 0.00 C ATOM 242 CG1 ILE A 16 2.942 10.590 0.864 1.00 0.00 C ATOM 243 CG2 ILE A 16 4.878 9.383 1.909 1.00 0.00 C ATOM 244 CD1 ILE A 16 3.586 10.768 -0.493 1.00 0.00 C ATOM 0 H ILE A 16 2.340 12.367 2.729 1.00 0.00 H new ATOM 0 HA ILE A 16 2.569 9.682 3.414 1.00 0.00 H new ATOM 0 HB ILE A 16 4.541 11.492 1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.384 9.654 0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.221 11.392 1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.391 9.410 0.948 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.612 9.418 2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.299 8.462 1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.816 10.763 -1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.121 11.717 -0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.286 9.952 -0.674 1.00 0.00 H new ATOM 256 N ALA A 17 4.814 11.676 4.802 1.00 0.00 N ATOM 257 CA ALA A 17 5.801 11.789 5.869 1.00 0.00 C ATOM 258 C ALA A 17 5.237 11.297 7.199 1.00 0.00 C ATOM 259 O ALA A 17 5.896 10.550 7.917 1.00 0.00 O ATOM 260 CB ALA A 17 6.279 13.229 5.996 1.00 0.00 C ATOM 0 H ALA A 17 4.623 12.551 4.314 1.00 0.00 H new ATOM 0 HA ALA A 17 6.650 11.156 5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.016 13.299 6.796 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.733 13.546 5.057 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.431 13.875 6.226 1.00 0.00 H new ATOM 266 N GLU A 18 4.004 11.695 7.505 1.00 0.00 N ATOM 267 CA GLU A 18 3.360 11.318 8.760 1.00 0.00 C ATOM 268 C GLU A 18 3.227 9.801 8.867 1.00 0.00 C ATOM 269 O GLU A 18 3.524 9.212 9.906 1.00 0.00 O ATOM 270 CB GLU A 18 1.978 11.973 8.858 1.00 0.00 C ATOM 271 CG GLU A 18 1.213 11.622 10.126 1.00 0.00 C ATOM 272 CD GLU A 18 1.845 12.188 11.380 1.00 0.00 C ATOM 273 OE1 GLU A 18 1.515 13.337 11.745 1.00 0.00 O ATOM 274 OE2 GLU A 18 2.652 11.486 12.021 1.00 0.00 O ATOM 0 H GLU A 18 3.430 12.280 6.898 1.00 0.00 H new ATOM 0 HA GLU A 18 3.982 11.668 9.584 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.096 13.055 8.806 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.384 11.675 7.994 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.192 11.995 10.042 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.150 10.538 10.216 1.00 0.00 H new ATOM 281 N ILE A 19 2.803 9.174 7.775 1.00 0.00 N ATOM 282 CA ILE A 19 2.603 7.731 7.747 1.00 0.00 C ATOM 283 C ILE A 19 3.938 7.005 7.916 1.00 0.00 C ATOM 284 O ILE A 19 4.019 5.962 8.574 1.00 0.00 O ATOM 285 CB ILE A 19 1.935 7.286 6.428 1.00 0.00 C ATOM 286 CG1 ILE A 19 0.772 8.221 6.084 1.00 0.00 C ATOM 287 CG2 ILE A 19 1.429 5.856 6.550 1.00 0.00 C ATOM 288 CD1 ILE A 19 0.186 7.988 4.709 1.00 0.00 C ATOM 0 H ILE A 19 2.591 9.645 6.895 1.00 0.00 H new ATOM 0 HA ILE A 19 1.943 7.471 8.575 1.00 0.00 H new ATOM 0 HB ILE A 19 2.676 7.332 5.630 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.014 8.097 6.829 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.116 9.253 6.152 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.960 5.555 5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.265 5.191 6.768 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.699 5.796 7.357 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.632 8.688 4.539 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.957 8.141 3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.190 6.967 4.642 1.00 0.00 H new ATOM 300 N LEU A 20 4.988 7.578 7.332 1.00 0.00 N ATOM 301 CA LEU A 20 6.333 7.033 7.472 1.00 0.00 C ATOM 302 C LEU A 20 6.793 7.129 8.920 1.00 0.00 C ATOM 303 O LEU A 20 7.442 6.218 9.438 1.00 0.00 O ATOM 304 CB LEU A 20 7.315 7.774 6.557 1.00 0.00 C ATOM 305 CG LEU A 20 7.055 7.614 5.057 1.00 0.00 C ATOM 306 CD1 LEU A 20 8.022 8.470 4.254 1.00 0.00 C ATOM 307 CD2 LEU A 20 7.176 6.154 4.646 1.00 0.00 C ATOM 0 H LEU A 20 4.932 8.419 6.758 1.00 0.00 H new ATOM 0 HA LEU A 20 6.310 5.984 7.177 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.286 8.835 6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.324 7.424 6.774 1.00 0.00 H new ATOM 0 HG LEU A 20 6.039 7.949 4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.822 8.344 3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.892 9.518 4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.045 8.163 4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.988 6.060 3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.180 5.795 4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.447 5.559 5.196 1.00 0.00 H new ATOM 319 N VAL A 21 6.439 8.232 9.573 1.00 0.00 N ATOM 320 CA VAL A 21 6.754 8.424 10.982 1.00 0.00 C ATOM 321 C VAL A 21 6.033 7.384 11.836 1.00 0.00 C ATOM 322 O VAL A 21 6.542 6.964 12.864 1.00 0.00 O ATOM 323 CB VAL A 21 6.384 9.847 11.467 1.00 0.00 C ATOM 324 CG1 VAL A 21 6.645 10.008 12.959 1.00 0.00 C ATOM 325 CG2 VAL A 21 7.162 10.893 10.685 1.00 0.00 C ATOM 0 H VAL A 21 5.932 9.008 9.146 1.00 0.00 H new ATOM 0 HA VAL A 21 7.831 8.301 11.092 1.00 0.00 H new ATOM 0 HB VAL A 21 5.318 9.992 11.291 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.375 11.018 13.269 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.045 9.286 13.513 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.702 9.836 13.164 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.890 11.888 11.038 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.231 10.736 10.830 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.924 10.807 9.625 1.00 0.00 H new ATOM 335 N VAL A 22 4.852 6.962 11.396 1.00 0.00 N ATOM 336 CA VAL A 22 4.113 5.913 12.090 1.00 0.00 C ATOM 337 C VAL A 22 4.927 4.625 12.138 1.00 0.00 C ATOM 338 O VAL A 22 5.174 4.077 13.216 1.00 0.00 O ATOM 339 CB VAL A 22 2.757 5.635 11.413 1.00 0.00 C ATOM 340 CG1 VAL A 22 2.023 4.498 12.109 1.00 0.00 C ATOM 341 CG2 VAL A 22 1.912 6.893 11.407 1.00 0.00 C ATOM 0 H VAL A 22 4.387 7.329 10.565 1.00 0.00 H new ATOM 0 HA VAL A 22 3.929 6.265 13.105 1.00 0.00 H new ATOM 0 HB VAL A 22 2.942 5.331 10.383 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.069 4.322 11.612 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.628 3.593 12.064 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.845 4.764 13.151 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.956 6.687 10.926 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.740 7.221 12.432 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.432 7.678 10.858 1.00 0.00 H new ATOM 351 N LEU A 23 5.338 4.153 10.966 1.00 0.00 N ATOM 352 CA LEU A 23 6.197 2.972 10.866 1.00 0.00 C ATOM 353 C LEU A 23 7.473 3.154 11.686 1.00 0.00 C ATOM 354 O LEU A 23 7.811 2.311 12.523 1.00 0.00 O ATOM 355 CB LEU A 23 6.554 2.701 9.402 1.00 0.00 C ATOM 356 CG LEU A 23 5.363 2.449 8.477 1.00 0.00 C ATOM 357 CD1 LEU A 23 5.828 2.315 7.036 1.00 0.00 C ATOM 358 CD2 LEU A 23 4.607 1.201 8.910 1.00 0.00 C ATOM 0 H LEU A 23 5.091 4.569 10.068 1.00 0.00 H new ATOM 0 HA LEU A 23 5.649 2.119 11.266 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.118 3.552 9.019 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.215 1.836 9.360 1.00 0.00 H new ATOM 0 HG LEU A 23 4.688 3.302 8.544 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.968 2.136 6.391 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.327 3.234 6.728 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.523 1.479 6.954 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.763 1.037 8.241 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.274 0.340 8.871 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.242 1.332 9.929 1.00 0.00 H new ATOM 370 N GLU A 24 8.156 4.272 11.457 1.00 0.00 N ATOM 371 CA GLU A 24 9.417 4.579 12.133 1.00 0.00 C ATOM 372 C GLU A 24 9.240 4.583 13.655 1.00 0.00 C ATOM 373 O GLU A 24 10.047 4.010 14.388 1.00 0.00 O ATOM 374 CB GLU A 24 9.929 5.946 11.662 1.00 0.00 C ATOM 375 CG GLU A 24 11.388 5.957 11.228 1.00 0.00 C ATOM 376 CD GLU A 24 12.353 5.692 12.366 1.00 0.00 C ATOM 377 OE1 GLU A 24 12.515 6.578 13.232 1.00 0.00 O ATOM 378 OE2 GLU A 24 12.960 4.603 12.396 1.00 0.00 O ATOM 0 H GLU A 24 7.853 4.991 10.799 1.00 0.00 H new ATOM 0 HA GLU A 24 10.143 3.807 11.880 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.312 6.284 10.829 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.797 6.667 12.469 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.535 5.205 10.453 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.620 6.924 10.782 1.00 0.00 H new ATOM 385 N LYS A 25 8.159 5.204 14.109 1.00 0.00 N ATOM 386 CA LYS A 25 7.880 5.371 15.536 1.00 0.00 C ATOM 387 C LYS A 25 7.648 4.027 16.228 1.00 0.00 C ATOM 388 O LYS A 25 7.848 3.897 17.435 1.00 0.00 O ATOM 389 CB LYS A 25 6.656 6.281 15.711 1.00 0.00 C ATOM 390 CG LYS A 25 6.331 6.631 17.153 1.00 0.00 C ATOM 391 CD LYS A 25 5.188 7.639 17.255 1.00 0.00 C ATOM 392 CE LYS A 25 3.852 7.066 16.793 1.00 0.00 C ATOM 393 NZ LYS A 25 3.694 7.091 15.310 1.00 0.00 N ATOM 0 H LYS A 25 7.448 5.608 13.500 1.00 0.00 H new ATOM 0 HA LYS A 25 8.750 5.830 16.005 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.823 7.204 15.155 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.790 5.793 15.265 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.063 5.724 17.694 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.219 7.040 17.635 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.097 7.974 18.288 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.429 8.517 16.655 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.761 6.039 17.146 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.041 7.633 17.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.684 7.157 15.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.197 7.914 14.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.090 6.219 14.904 1.00 0.00 H new ATOM 407 N HIS A 26 7.232 3.026 15.467 1.00 0.00 N ATOM 408 CA HIS A 26 6.986 1.705 16.035 1.00 0.00 C ATOM 409 C HIS A 26 8.203 0.805 15.879 1.00 0.00 C ATOM 410 O HIS A 26 8.192 -0.338 16.334 1.00 0.00 O ATOM 411 CB HIS A 26 5.759 1.048 15.403 1.00 0.00 C ATOM 412 CG HIS A 26 4.462 1.556 15.955 1.00 0.00 C ATOM 413 ND1 HIS A 26 3.927 1.113 17.144 1.00 0.00 N ATOM 414 CD2 HIS A 26 3.593 2.474 15.474 1.00 0.00 C ATOM 415 CE1 HIS A 26 2.786 1.735 17.369 1.00 0.00 C ATOM 416 NE2 HIS A 26 2.560 2.565 16.370 1.00 0.00 N ATOM 0 H HIS A 26 7.058 3.099 14.465 1.00 0.00 H new ATOM 0 HA HIS A 26 6.791 1.841 17.099 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.779 1.218 14.327 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.813 -0.030 15.556 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.694 3.032 14.555 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.145 1.589 18.226 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.748 3.176 16.279 1.00 0.00 H new ATOM 425 N LYS A 27 9.241 1.332 15.226 1.00 0.00 N ATOM 426 CA LYS A 27 10.508 0.618 15.056 1.00 0.00 C ATOM 427 C LYS A 27 10.293 -0.645 14.222 1.00 0.00 C ATOM 428 O LYS A 27 10.997 -1.645 14.375 1.00 0.00 O ATOM 429 CB LYS A 27 11.105 0.271 16.430 1.00 0.00 C ATOM 430 CG LYS A 27 12.601 -0.010 16.409 1.00 0.00 C ATOM 431 CD LYS A 27 13.110 -0.366 17.796 1.00 0.00 C ATOM 432 CE LYS A 27 14.626 -0.468 17.837 1.00 0.00 C ATOM 433 NZ LYS A 27 15.279 0.811 17.450 1.00 0.00 N ATOM 0 H LYS A 27 9.228 2.260 14.803 1.00 0.00 H new ATOM 0 HA LYS A 27 11.212 1.261 14.527 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.911 1.096 17.116 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.588 -0.603 16.828 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.811 -0.828 15.720 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.133 0.865 16.036 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.778 0.389 18.509 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.674 -1.314 18.110 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.944 -0.748 18.841 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.955 -1.261 17.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.262 0.815 17.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.269 0.906 16.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.763 1.607 17.876 1.00 0.00 H new ATOM 447 N ALA A 28 9.326 -0.575 13.315 1.00 0.00 N ATOM 448 CA ALA A 28 8.951 -1.719 12.505 1.00 0.00 C ATOM 449 C ALA A 28 9.914 -1.907 11.339 1.00 0.00 C ATOM 450 O ALA A 28 10.222 -0.955 10.618 1.00 0.00 O ATOM 451 CB ALA A 28 7.530 -1.553 11.994 1.00 0.00 C ATOM 0 H ALA A 28 8.787 0.269 13.124 1.00 0.00 H new ATOM 0 HA ALA A 28 9.003 -2.610 13.130 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.258 -2.417 11.387 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.846 -1.474 12.839 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.464 -0.649 11.388 1.00 0.00 H new ATOM 457 N PRO A 29 10.413 -3.138 11.147 1.00 0.00 N ATOM 458 CA PRO A 29 11.281 -3.466 10.016 1.00 0.00 C ATOM 459 C PRO A 29 10.529 -3.379 8.692 1.00 0.00 C ATOM 460 O PRO A 29 9.300 -3.489 8.662 1.00 0.00 O ATOM 461 CB PRO A 29 11.718 -4.908 10.297 1.00 0.00 C ATOM 462 CG PRO A 29 10.676 -5.457 11.208 1.00 0.00 C ATOM 463 CD PRO A 29 10.182 -4.297 12.027 1.00 0.00 C ATOM 0 HA PRO A 29 12.120 -2.776 9.924 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.782 -5.487 9.376 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.704 -4.938 10.761 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.862 -5.908 10.641 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.090 -6.237 11.847 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.128 -4.405 12.282 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.729 -4.205 12.965 1.00 0.00 H new ATOM 471 N THR A 30 11.268 -3.190 7.602 1.00 0.00 N ATOM 472 CA THR A 30 10.682 -3.031 6.276 1.00 0.00 C ATOM 473 C THR A 30 9.749 -4.194 5.928 1.00 0.00 C ATOM 474 O THR A 30 8.694 -3.995 5.329 1.00 0.00 O ATOM 475 CB THR A 30 11.788 -2.927 5.215 1.00 0.00 C ATOM 476 OG1 THR A 30 12.827 -2.062 5.691 1.00 0.00 O ATOM 477 CG2 THR A 30 11.237 -2.390 3.902 1.00 0.00 C ATOM 0 H THR A 30 12.287 -3.143 7.614 1.00 0.00 H new ATOM 0 HA THR A 30 10.095 -2.113 6.286 1.00 0.00 H new ATOM 0 HB THR A 30 12.189 -3.925 5.035 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.927 -1.303 5.079 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.041 -2.327 3.169 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.461 -3.060 3.532 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.814 -1.398 4.063 1.00 0.00 H new ATOM 485 N ASP A 31 10.138 -5.398 6.332 1.00 0.00 N ATOM 486 CA ASP A 31 9.338 -6.595 6.081 1.00 0.00 C ATOM 487 C ASP A 31 7.962 -6.477 6.737 1.00 0.00 C ATOM 488 O ASP A 31 6.937 -6.773 6.121 1.00 0.00 O ATOM 489 CB ASP A 31 10.076 -7.831 6.604 1.00 0.00 C ATOM 490 CG ASP A 31 9.324 -9.123 6.356 1.00 0.00 C ATOM 491 OD1 ASP A 31 9.216 -9.539 5.183 1.00 0.00 O ATOM 492 OD2 ASP A 31 8.865 -9.744 7.337 1.00 0.00 O ATOM 0 H ASP A 31 11.007 -5.573 6.837 1.00 0.00 H new ATOM 0 HA ASP A 31 9.190 -6.697 5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.055 -7.890 6.128 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.248 -7.718 7.674 1.00 0.00 H new ATOM 497 N LEU A 32 7.947 -6.007 7.981 1.00 0.00 N ATOM 498 CA LEU A 32 6.701 -5.820 8.715 1.00 0.00 C ATOM 499 C LEU A 32 5.942 -4.613 8.168 1.00 0.00 C ATOM 500 O LEU A 32 4.712 -4.581 8.178 1.00 0.00 O ATOM 501 CB LEU A 32 6.987 -5.640 10.212 1.00 0.00 C ATOM 502 CG LEU A 32 5.754 -5.542 11.118 1.00 0.00 C ATOM 503 CD1 LEU A 32 4.872 -6.770 10.953 1.00 0.00 C ATOM 504 CD2 LEU A 32 6.177 -5.381 12.571 1.00 0.00 C ATOM 0 H LEU A 32 8.785 -5.749 8.502 1.00 0.00 H new ATOM 0 HA LEU A 32 6.082 -6.708 8.585 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.597 -6.478 10.550 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.584 -4.737 10.343 1.00 0.00 H new ATOM 0 HG LEU A 32 5.178 -4.664 10.825 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.002 -6.683 11.604 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.544 -6.846 9.916 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.437 -7.663 11.221 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.291 -5.313 13.202 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.773 -6.242 12.874 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.770 -4.473 12.679 1.00 0.00 H new ATOM 516 N SER A 33 6.688 -3.628 7.679 1.00 0.00 N ATOM 517 CA SER A 33 6.093 -2.436 7.090 1.00 0.00 C ATOM 518 C SER A 33 5.287 -2.802 5.846 1.00 0.00 C ATOM 519 O SER A 33 4.141 -2.378 5.691 1.00 0.00 O ATOM 520 CB SER A 33 7.181 -1.418 6.738 1.00 0.00 C ATOM 521 OG SER A 33 7.960 -1.087 7.876 1.00 0.00 O ATOM 0 H SER A 33 7.708 -3.633 7.679 1.00 0.00 H new ATOM 0 HA SER A 33 5.419 -1.988 7.820 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.825 -1.825 5.959 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.722 -0.516 6.333 1.00 0.00 H new ATOM 0 HG SER A 33 8.465 -1.875 8.167 1.00 0.00 H new ATOM 527 N LEU A 34 5.884 -3.611 4.976 1.00 0.00 N ATOM 528 CA LEU A 34 5.211 -4.070 3.765 1.00 0.00 C ATOM 529 C LEU A 34 3.959 -4.866 4.122 1.00 0.00 C ATOM 530 O LEU A 34 2.921 -4.736 3.473 1.00 0.00 O ATOM 531 CB LEU A 34 6.157 -4.932 2.921 1.00 0.00 C ATOM 532 CG LEU A 34 7.404 -4.216 2.394 1.00 0.00 C ATOM 533 CD1 LEU A 34 8.317 -5.200 1.679 1.00 0.00 C ATOM 534 CD2 LEU A 34 7.015 -3.078 1.459 1.00 0.00 C ATOM 0 H LEU A 34 6.835 -3.963 5.087 1.00 0.00 H new ATOM 0 HA LEU A 34 4.918 -3.196 3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.475 -5.786 3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.600 -5.328 2.072 1.00 0.00 H new ATOM 0 HG LEU A 34 7.942 -3.794 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.199 -4.676 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.624 -5.982 2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.784 -5.648 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.915 -2.582 1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.454 -3.477 0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.397 -2.359 1.998 1.00 0.00 H new ATOM 546 N MET A 35 4.066 -5.684 5.166 1.00 0.00 N ATOM 547 CA MET A 35 2.935 -6.477 5.644 1.00 0.00 C ATOM 548 C MET A 35 1.803 -5.569 6.122 1.00 0.00 C ATOM 549 O MET A 35 0.636 -5.775 5.781 1.00 0.00 O ATOM 550 CB MET A 35 3.378 -7.400 6.783 1.00 0.00 C ATOM 551 CG MET A 35 2.262 -8.271 7.340 1.00 0.00 C ATOM 552 SD MET A 35 2.794 -9.256 8.755 1.00 0.00 S ATOM 553 CE MET A 35 4.100 -10.237 8.019 1.00 0.00 C ATOM 0 H MET A 35 4.926 -5.816 5.699 1.00 0.00 H new ATOM 0 HA MET A 35 2.569 -7.084 4.816 1.00 0.00 H new ATOM 0 HB2 MET A 35 4.183 -8.042 6.425 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.789 -6.794 7.590 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.425 -7.638 7.636 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.898 -8.935 6.556 1.00 0.00 H new ATOM 0 HE1 MET A 35 4.296 -11.109 8.643 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.794 -10.564 7.025 1.00 0.00 H new ATOM 0 HE3 MET A 35 5.006 -9.636 7.940 1.00 0.00 H new ATOM 563 N ALA A 36 2.161 -4.558 6.906 1.00 0.00 N ATOM 564 CA ALA A 36 1.192 -3.612 7.436 1.00 0.00 C ATOM 565 C ALA A 36 0.532 -2.815 6.316 1.00 0.00 C ATOM 566 O ALA A 36 -0.692 -2.695 6.268 1.00 0.00 O ATOM 567 CB ALA A 36 1.861 -2.675 8.431 1.00 0.00 C ATOM 0 H ALA A 36 3.124 -4.374 7.189 1.00 0.00 H new ATOM 0 HA ALA A 36 0.414 -4.176 7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.125 -1.972 8.820 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.279 -3.256 9.254 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.660 -2.125 7.933 1.00 0.00 H new ATOM 573 N LEU A 37 1.348 -2.286 5.410 1.00 0.00 N ATOM 574 CA LEU A 37 0.844 -1.490 4.296 1.00 0.00 C ATOM 575 C LEU A 37 -0.054 -2.318 3.387 1.00 0.00 C ATOM 576 O LEU A 37 -1.089 -1.834 2.933 1.00 0.00 O ATOM 577 CB LEU A 37 1.999 -0.886 3.489 1.00 0.00 C ATOM 578 CG LEU A 37 2.445 0.517 3.917 1.00 0.00 C ATOM 579 CD1 LEU A 37 1.307 1.512 3.751 1.00 0.00 C ATOM 580 CD2 LEU A 37 2.944 0.518 5.354 1.00 0.00 C ATOM 0 H LEU A 37 2.362 -2.394 5.425 1.00 0.00 H new ATOM 0 HA LEU A 37 0.250 -0.678 4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.856 -1.556 3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.705 -0.850 2.440 1.00 0.00 H new ATOM 0 HG LEU A 37 3.270 0.819 3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.642 2.502 4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.000 1.542 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.463 1.206 4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.254 1.526 5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.144 0.189 6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.792 -0.160 5.445 1.00 0.00 H new ATOM 592 N GLY A 38 0.337 -3.566 3.139 1.00 0.00 N ATOM 593 CA GLY A 38 -0.459 -4.444 2.300 1.00 0.00 C ATOM 594 C GLY A 38 -1.875 -4.602 2.812 1.00 0.00 C ATOM 595 O GLY A 38 -2.839 -4.454 2.060 1.00 0.00 O ATOM 0 H GLY A 38 1.192 -3.984 3.505 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.484 -4.048 1.285 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.017 -5.423 2.248 1.00 0.00 H new ATOM 599 N ASN A 39 -2.002 -4.883 4.099 1.00 0.00 N ATOM 600 CA ASN A 39 -3.311 -5.028 4.717 1.00 0.00 C ATOM 601 C ASN A 39 -4.018 -3.684 4.807 1.00 0.00 C ATOM 602 O ASN A 39 -5.231 -3.610 4.653 1.00 0.00 O ATOM 603 CB ASN A 39 -3.184 -5.647 6.107 1.00 0.00 C ATOM 604 CG ASN A 39 -2.894 -7.135 6.054 1.00 0.00 C ATOM 605 OD1 ASN A 39 -3.363 -7.838 5.158 1.00 0.00 O ATOM 606 ND2 ASN A 39 -2.113 -7.626 7.007 1.00 0.00 N ATOM 0 H ASN A 39 -1.216 -5.015 4.736 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.907 -5.692 4.091 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.387 -5.144 6.654 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.107 -5.479 6.662 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.881 -8.619 7.015 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.744 -7.010 7.732 1.00 0.00 H new ATOM 613 N CYS A 40 -3.250 -2.625 5.040 1.00 0.00 N ATOM 614 CA CYS A 40 -3.801 -1.277 5.152 1.00 0.00 C ATOM 615 C CYS A 40 -4.497 -0.862 3.856 1.00 0.00 C ATOM 616 O CYS A 40 -5.663 -0.459 3.871 1.00 0.00 O ATOM 617 CB CYS A 40 -2.688 -0.281 5.496 1.00 0.00 C ATOM 618 SG CYS A 40 -3.241 1.433 5.657 1.00 0.00 S ATOM 0 H CYS A 40 -2.238 -2.674 5.156 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.541 -1.275 5.952 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.219 -0.588 6.431 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.921 -0.331 4.723 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.226 2.191 5.950 1.00 0.00 H new ATOM 624 N VAL A 41 -3.786 -0.988 2.737 1.00 0.00 N ATOM 625 CA VAL A 41 -4.327 -0.612 1.433 1.00 0.00 C ATOM 626 C VAL A 41 -5.588 -1.414 1.115 1.00 0.00 C ATOM 627 O VAL A 41 -6.599 -0.859 0.679 1.00 0.00 O ATOM 628 CB VAL A 41 -3.281 -0.816 0.308 1.00 0.00 C ATOM 629 CG1 VAL A 41 -3.856 -0.453 -1.057 1.00 0.00 C ATOM 630 CG2 VAL A 41 -2.034 0.006 0.587 1.00 0.00 C ATOM 0 H VAL A 41 -2.832 -1.348 2.708 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.582 0.447 1.481 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.013 -1.872 0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.097 -0.607 -1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.719 -1.085 -1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.164 0.593 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.310 -0.149 -0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.298 1.062 0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.598 -0.305 1.536 1.00 0.00 H new ATOM 640 N THR A 42 -5.536 -2.715 1.371 1.00 0.00 N ATOM 641 CA THR A 42 -6.661 -3.595 1.081 1.00 0.00 C ATOM 642 C THR A 42 -7.830 -3.312 2.030 1.00 0.00 C ATOM 643 O THR A 42 -9.000 -3.419 1.653 1.00 0.00 O ATOM 644 CB THR A 42 -6.246 -5.078 1.199 1.00 0.00 C ATOM 645 OG1 THR A 42 -4.962 -5.268 0.594 1.00 0.00 O ATOM 646 CG2 THR A 42 -7.254 -5.987 0.512 1.00 0.00 C ATOM 0 H THR A 42 -4.727 -3.184 1.779 1.00 0.00 H new ATOM 0 HA THR A 42 -6.979 -3.399 0.057 1.00 0.00 H new ATOM 0 HB THR A 42 -6.207 -5.334 2.258 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.261 -4.986 1.218 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.935 -7.025 0.612 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.232 -5.862 0.976 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.318 -5.727 -0.545 1.00 0.00 H new ATOM 654 N HIS A 43 -7.500 -2.916 3.257 1.00 0.00 N ATOM 655 CA HIS A 43 -8.500 -2.649 4.285 1.00 0.00 C ATOM 656 C HIS A 43 -9.299 -1.391 3.954 1.00 0.00 C ATOM 657 O HIS A 43 -10.451 -1.248 4.360 1.00 0.00 O ATOM 658 CB HIS A 43 -7.825 -2.507 5.652 1.00 0.00 C ATOM 659 CG HIS A 43 -8.766 -2.599 6.812 1.00 0.00 C ATOM 660 ND1 HIS A 43 -9.175 -3.798 7.349 1.00 0.00 N ATOM 661 CD2 HIS A 43 -9.359 -1.636 7.555 1.00 0.00 C ATOM 662 CE1 HIS A 43 -9.976 -3.571 8.371 1.00 0.00 C ATOM 663 NE2 HIS A 43 -10.105 -2.266 8.519 1.00 0.00 N ATOM 0 H HIS A 43 -6.538 -2.772 3.564 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.192 -3.491 4.318 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.065 -3.282 5.752 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -7.309 -1.548 5.692 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.263 -0.569 7.415 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.447 -4.325 8.984 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -10.667 -1.802 9.233 1.00 0.00 H new ATOM 672 N LEU A 44 -8.685 -0.476 3.220 1.00 0.00 N ATOM 673 CA LEU A 44 -9.391 0.710 2.758 1.00 0.00 C ATOM 674 C LEU A 44 -10.335 0.341 1.623 1.00 0.00 C ATOM 675 O LEU A 44 -11.446 0.866 1.527 1.00 0.00 O ATOM 676 CB LEU A 44 -8.409 1.785 2.292 1.00 0.00 C ATOM 677 CG LEU A 44 -7.509 2.364 3.383 1.00 0.00 C ATOM 678 CD1 LEU A 44 -6.609 3.441 2.806 1.00 0.00 C ATOM 679 CD2 LEU A 44 -8.344 2.927 4.523 1.00 0.00 C ATOM 0 H LEU A 44 -7.708 -0.530 2.933 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.967 1.112 3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.778 1.363 1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.975 2.600 1.840 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.885 1.562 3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.973 3.845 3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.986 3.012 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.220 4.241 2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.685 3.335 5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.992 3.717 4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.954 2.133 4.954 1.00 0.00 H new ATOM 691 N LEU A 45 -9.890 -0.591 0.788 1.00 0.00 N ATOM 692 CA LEU A 45 -10.665 -1.036 -0.364 1.00 0.00 C ATOM 693 C LEU A 45 -11.955 -1.731 0.060 1.00 0.00 C ATOM 694 O LEU A 45 -12.961 -1.658 -0.639 1.00 0.00 O ATOM 695 CB LEU A 45 -9.829 -1.980 -1.231 1.00 0.00 C ATOM 696 CG LEU A 45 -8.661 -1.324 -1.969 1.00 0.00 C ATOM 697 CD1 LEU A 45 -7.814 -2.373 -2.677 1.00 0.00 C ATOM 698 CD2 LEU A 45 -9.180 -0.299 -2.964 1.00 0.00 C ATOM 0 H LEU A 45 -8.988 -1.057 0.889 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.933 -0.152 -0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.437 -2.777 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.484 -2.449 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.032 -0.816 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.989 -1.885 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.417 -3.075 -1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.429 -2.911 -3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.340 0.162 -3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.829 -0.791 -3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.744 0.469 -2.435 1.00 0.00 H new ATOM 710 N GLU A 46 -11.928 -2.404 1.199 1.00 0.00 N ATOM 711 CA GLU A 46 -13.100 -3.130 1.678 1.00 0.00 C ATOM 712 C GLU A 46 -14.029 -2.236 2.500 1.00 0.00 C ATOM 713 O GLU A 46 -15.177 -2.597 2.759 1.00 0.00 O ATOM 714 CB GLU A 46 -12.674 -4.339 2.510 1.00 0.00 C ATOM 715 CG GLU A 46 -11.698 -3.985 3.613 1.00 0.00 C ATOM 716 CD GLU A 46 -11.459 -5.123 4.583 1.00 0.00 C ATOM 717 OE1 GLU A 46 -12.273 -5.292 5.512 1.00 0.00 O ATOM 718 OE2 GLU A 46 -10.455 -5.845 4.428 1.00 0.00 O ATOM 0 H GLU A 46 -11.113 -2.465 1.809 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.652 -3.469 0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -13.558 -4.800 2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.219 -5.082 1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.748 -3.689 3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.076 -3.122 4.161 1.00 0.00 H new ATOM 725 N ARG A 47 -13.537 -1.073 2.909 1.00 0.00 N ATOM 726 CA ARG A 47 -14.317 -0.190 3.769 1.00 0.00 C ATOM 727 C ARG A 47 -14.832 1.043 3.039 1.00 0.00 C ATOM 728 O ARG A 47 -16.041 1.238 2.916 1.00 0.00 O ATOM 729 CB ARG A 47 -13.511 0.216 5.003 1.00 0.00 C ATOM 730 CG ARG A 47 -13.465 -0.872 6.061 1.00 0.00 C ATOM 731 CD ARG A 47 -14.871 -1.261 6.483 1.00 0.00 C ATOM 732 NE ARG A 47 -14.878 -2.337 7.464 1.00 0.00 N ATOM 733 CZ ARG A 47 -15.926 -2.643 8.222 1.00 0.00 C ATOM 734 NH1 ARG A 47 -17.066 -1.972 8.090 1.00 0.00 N ATOM 735 NH2 ARG A 47 -15.831 -3.631 9.100 1.00 0.00 N ATOM 0 H ARG A 47 -12.612 -0.721 2.663 1.00 0.00 H new ATOM 0 HA ARG A 47 -15.192 -0.758 4.085 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.494 0.466 4.701 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.946 1.118 5.435 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.941 -1.745 5.671 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.902 -0.523 6.927 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.377 -0.390 6.900 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.439 -1.570 5.605 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.028 -2.889 7.576 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -17.139 -1.220 7.405 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.868 -2.210 8.673 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.958 -4.151 9.191 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -16.631 -3.872 9.685 1.00 0.00 H new ATOM 749 N LYS A 48 -13.924 1.875 2.552 1.00 0.00 N ATOM 750 CA LYS A 48 -14.318 3.129 1.918 1.00 0.00 C ATOM 751 C LYS A 48 -14.658 2.917 0.451 1.00 0.00 C ATOM 752 O LYS A 48 -15.263 3.777 -0.189 1.00 0.00 O ATOM 753 CB LYS A 48 -13.216 4.182 2.062 1.00 0.00 C ATOM 754 CG LYS A 48 -13.048 4.707 3.482 1.00 0.00 C ATOM 755 CD LYS A 48 -14.335 5.339 3.996 1.00 0.00 C ATOM 756 CE LYS A 48 -14.138 5.997 5.353 1.00 0.00 C ATOM 757 NZ LYS A 48 -15.403 6.576 5.877 1.00 0.00 N ATOM 0 H LYS A 48 -12.918 1.709 2.582 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.211 3.491 2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.271 3.753 1.729 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.437 5.019 1.399 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.753 3.890 4.141 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.244 5.443 3.507 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.687 6.081 3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.110 4.576 4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.755 5.262 6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.386 6.782 5.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.226 7.015 6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -15.756 7.296 5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -16.113 5.823 5.980 1.00 0.00 H new ATOM 771 N VAL A 49 -14.282 1.762 -0.074 1.00 0.00 N ATOM 772 CA VAL A 49 -14.538 1.448 -1.467 1.00 0.00 C ATOM 773 C VAL A 49 -15.590 0.345 -1.586 1.00 0.00 C ATOM 774 O VAL A 49 -15.503 -0.691 -0.923 1.00 0.00 O ATOM 775 CB VAL A 49 -13.245 1.010 -2.192 1.00 0.00 C ATOM 776 CG1 VAL A 49 -13.494 0.807 -3.679 1.00 0.00 C ATOM 777 CG2 VAL A 49 -12.136 2.027 -1.974 1.00 0.00 C ATOM 0 H VAL A 49 -13.799 1.028 0.444 1.00 0.00 H new ATOM 0 HA VAL A 49 -14.912 2.355 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.930 0.057 -1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.568 0.499 -4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.251 0.035 -3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -13.842 1.741 -4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -11.235 1.700 -2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.448 2.995 -2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.929 2.116 -0.908 1.00 0.00 H new ATOM 787 N PRO A 50 -16.624 0.573 -2.406 1.00 0.00 N ATOM 788 CA PRO A 50 -17.618 -0.454 -2.715 1.00 0.00 C ATOM 789 C PRO A 50 -16.996 -1.612 -3.491 1.00 0.00 C ATOM 790 O PRO A 50 -16.025 -1.420 -4.227 1.00 0.00 O ATOM 791 CB PRO A 50 -18.647 0.285 -3.577 1.00 0.00 C ATOM 792 CG PRO A 50 -17.913 1.458 -4.131 1.00 0.00 C ATOM 793 CD PRO A 50 -16.913 1.848 -3.084 1.00 0.00 C ATOM 0 HA PRO A 50 -18.051 -0.898 -1.819 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -19.027 -0.355 -4.373 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -19.505 0.600 -2.984 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -17.418 1.202 -5.068 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -18.596 2.280 -4.345 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -16.016 2.282 -3.525 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -17.319 2.588 -2.395 1.00 0.00 H new ATOM 801 N SER A 51 -17.562 -2.804 -3.332 1.00 0.00 N ATOM 802 CA SER A 51 -17.042 -4.011 -3.969 1.00 0.00 C ATOM 803 C SER A 51 -16.885 -3.830 -5.482 1.00 0.00 C ATOM 804 O SER A 51 -16.002 -4.432 -6.099 1.00 0.00 O ATOM 805 CB SER A 51 -17.977 -5.185 -3.685 1.00 0.00 C ATOM 806 OG SER A 51 -18.272 -5.274 -2.298 1.00 0.00 O ATOM 0 H SER A 51 -18.392 -2.961 -2.760 1.00 0.00 H new ATOM 0 HA SER A 51 -16.055 -4.212 -3.552 1.00 0.00 H new ATOM 0 HB2 SER A 51 -18.901 -5.064 -4.250 1.00 0.00 H new ATOM 0 HB3 SER A 51 -17.515 -6.113 -4.023 1.00 0.00 H new ATOM 0 HG SER A 51 -18.873 -6.031 -2.139 1.00 0.00 H new ATOM 812 N GLU A 52 -17.746 -3.001 -6.062 1.00 0.00 N ATOM 813 CA GLU A 52 -17.705 -2.695 -7.486 1.00 0.00 C ATOM 814 C GLU A 52 -16.319 -2.203 -7.905 1.00 0.00 C ATOM 815 O GLU A 52 -15.707 -2.752 -8.823 1.00 0.00 O ATOM 816 CB GLU A 52 -18.785 -1.651 -7.814 1.00 0.00 C ATOM 817 CG GLU A 52 -18.852 -1.239 -9.279 1.00 0.00 C ATOM 818 CD GLU A 52 -18.043 0.008 -9.582 1.00 0.00 C ATOM 819 OE1 GLU A 52 -18.578 1.124 -9.415 1.00 0.00 O ATOM 820 OE2 GLU A 52 -16.871 -0.120 -9.991 1.00 0.00 O ATOM 0 H GLU A 52 -18.492 -2.522 -5.557 1.00 0.00 H new ATOM 0 HA GLU A 52 -17.907 -3.605 -8.050 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -19.756 -2.048 -7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -18.607 -0.762 -7.209 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -18.490 -2.060 -9.898 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -19.892 -1.066 -9.555 1.00 0.00 H new ATOM 827 N SER A 53 -15.814 -1.191 -7.212 1.00 0.00 N ATOM 828 CA SER A 53 -14.545 -0.577 -7.578 1.00 0.00 C ATOM 829 C SER A 53 -13.391 -1.185 -6.786 1.00 0.00 C ATOM 830 O SER A 53 -12.226 -0.967 -7.108 1.00 0.00 O ATOM 831 CB SER A 53 -14.613 0.930 -7.333 1.00 0.00 C ATOM 832 OG SER A 53 -15.757 1.491 -7.955 1.00 0.00 O ATOM 0 H SER A 53 -16.263 -0.778 -6.394 1.00 0.00 H new ATOM 0 HA SER A 53 -14.364 -0.766 -8.636 1.00 0.00 H new ATOM 0 HB2 SER A 53 -14.643 1.128 -6.261 1.00 0.00 H new ATOM 0 HB3 SER A 53 -13.713 1.407 -7.720 1.00 0.00 H new ATOM 0 HG SER A 53 -16.000 0.954 -8.738 1.00 0.00 H new ATOM 838 N ARG A 54 -13.732 -1.958 -5.761 1.00 0.00 N ATOM 839 CA ARG A 54 -12.748 -2.569 -4.867 1.00 0.00 C ATOM 840 C ARG A 54 -11.717 -3.385 -5.644 1.00 0.00 C ATOM 841 O ARG A 54 -10.521 -3.325 -5.364 1.00 0.00 O ATOM 842 CB ARG A 54 -13.474 -3.456 -3.856 1.00 0.00 C ATOM 843 CG ARG A 54 -12.583 -4.069 -2.788 1.00 0.00 C ATOM 844 CD ARG A 54 -13.414 -4.832 -1.771 1.00 0.00 C ATOM 845 NE ARG A 54 -14.401 -3.965 -1.129 1.00 0.00 N ATOM 846 CZ ARG A 54 -15.531 -4.388 -0.566 1.00 0.00 C ATOM 847 NH1 ARG A 54 -15.824 -5.684 -0.528 1.00 0.00 N ATOM 848 NH2 ARG A 54 -16.364 -3.507 -0.032 1.00 0.00 N ATOM 0 H ARG A 54 -14.699 -2.181 -5.524 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.211 -1.776 -4.346 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.249 -2.866 -3.367 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.977 -4.259 -4.394 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.860 -4.740 -3.251 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.015 -3.285 -2.287 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.922 -5.662 -2.263 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.759 -5.263 -1.014 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.210 -2.963 -1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.181 -6.364 -0.932 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.692 -5.998 -0.094 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.138 -2.513 -0.054 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.232 -3.823 0.401 1.00 0.00 H new ATOM 862 N GLN A 55 -12.191 -4.133 -6.628 1.00 0.00 N ATOM 863 CA GLN A 55 -11.323 -4.973 -7.442 1.00 0.00 C ATOM 864 C GLN A 55 -10.586 -4.123 -8.482 1.00 0.00 C ATOM 865 O GLN A 55 -9.387 -4.303 -8.721 1.00 0.00 O ATOM 866 CB GLN A 55 -12.168 -6.072 -8.110 1.00 0.00 C ATOM 867 CG GLN A 55 -11.371 -7.148 -8.839 1.00 0.00 C ATOM 868 CD GLN A 55 -10.881 -6.707 -10.204 1.00 0.00 C ATOM 869 OE1 GLN A 55 -11.514 -5.888 -10.870 1.00 0.00 O ATOM 870 NE2 GLN A 55 -9.753 -7.246 -10.629 1.00 0.00 N ATOM 0 H GLN A 55 -13.177 -4.176 -6.884 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.569 -5.447 -6.813 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.782 -6.551 -7.347 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.850 -5.603 -8.820 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.515 -7.434 -8.228 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.992 -8.037 -8.953 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.259 -7.921 -10.046 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.376 -6.987 -11.541 1.00 0.00 H new ATOM 879 N ALA A 56 -11.307 -3.176 -9.072 1.00 0.00 N ATOM 880 CA ALA A 56 -10.758 -2.334 -10.130 1.00 0.00 C ATOM 881 C ALA A 56 -9.603 -1.475 -9.625 1.00 0.00 C ATOM 882 O ALA A 56 -8.526 -1.456 -10.228 1.00 0.00 O ATOM 883 CB ALA A 56 -11.849 -1.460 -10.726 1.00 0.00 C ATOM 0 H ALA A 56 -12.278 -2.971 -8.834 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.364 -2.990 -10.906 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.426 -0.837 -11.514 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.633 -2.091 -11.144 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.271 -0.824 -9.948 1.00 0.00 H new ATOM 889 N VAL A 57 -9.822 -0.778 -8.512 1.00 0.00 N ATOM 890 CA VAL A 57 -8.788 0.070 -7.928 1.00 0.00 C ATOM 891 C VAL A 57 -7.560 -0.757 -7.570 1.00 0.00 C ATOM 892 O VAL A 57 -6.429 -0.317 -7.768 1.00 0.00 O ATOM 893 CB VAL A 57 -9.285 0.807 -6.663 1.00 0.00 C ATOM 894 CG1 VAL A 57 -8.168 1.633 -6.043 1.00 0.00 C ATOM 895 CG2 VAL A 57 -10.477 1.697 -6.982 1.00 0.00 C ATOM 0 H VAL A 57 -10.703 -0.784 -7.999 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.530 0.816 -8.680 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.601 0.052 -5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.542 2.142 -5.155 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.342 0.978 -5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.818 2.372 -6.764 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.806 2.203 -6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.188 2.439 -7.727 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.292 1.088 -7.373 1.00 0.00 H new ATOM 905 N ALA A 58 -7.797 -1.966 -7.066 1.00 0.00 N ATOM 906 CA ALA A 58 -6.719 -2.863 -6.670 1.00 0.00 C ATOM 907 C ALA A 58 -5.745 -3.096 -7.819 1.00 0.00 C ATOM 908 O ALA A 58 -4.531 -2.977 -7.645 1.00 0.00 O ATOM 909 CB ALA A 58 -7.285 -4.187 -6.179 1.00 0.00 C ATOM 0 H ALA A 58 -8.732 -2.347 -6.922 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.171 -2.390 -5.855 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.468 -4.846 -5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.933 -4.010 -5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.861 -4.655 -6.977 1.00 0.00 H new ATOM 915 N GLU A 59 -6.278 -3.411 -8.997 1.00 0.00 N ATOM 916 CA GLU A 59 -5.433 -3.660 -10.161 1.00 0.00 C ATOM 917 C GLU A 59 -4.730 -2.391 -10.628 1.00 0.00 C ATOM 918 O GLU A 59 -3.533 -2.410 -10.912 1.00 0.00 O ATOM 919 CB GLU A 59 -6.234 -4.252 -11.320 1.00 0.00 C ATOM 920 CG GLU A 59 -6.782 -5.637 -11.037 1.00 0.00 C ATOM 921 CD GLU A 59 -7.136 -6.385 -12.304 1.00 0.00 C ATOM 922 OE1 GLU A 59 -6.258 -7.087 -12.851 1.00 0.00 O ATOM 923 OE2 GLU A 59 -8.293 -6.275 -12.761 1.00 0.00 O ATOM 0 H GLU A 59 -7.279 -3.499 -9.170 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.680 -4.383 -9.847 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.063 -3.584 -11.556 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.598 -4.296 -12.204 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.044 -6.209 -10.474 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.668 -5.553 -10.408 1.00 0.00 H new ATOM 930 N GLN A 60 -5.468 -1.290 -10.705 1.00 0.00 N ATOM 931 CA GLN A 60 -4.910 -0.038 -11.208 1.00 0.00 C ATOM 932 C GLN A 60 -3.827 0.492 -10.274 1.00 0.00 C ATOM 933 O GLN A 60 -2.799 0.996 -10.726 1.00 0.00 O ATOM 934 CB GLN A 60 -6.011 1.005 -11.401 1.00 0.00 C ATOM 935 CG GLN A 60 -7.042 0.608 -12.446 1.00 0.00 C ATOM 936 CD GLN A 60 -8.013 1.729 -12.758 1.00 0.00 C ATOM 937 OE1 GLN A 60 -9.060 1.858 -12.126 1.00 0.00 O ATOM 938 NE2 GLN A 60 -7.671 2.549 -13.740 1.00 0.00 N ATOM 0 H GLN A 60 -6.448 -1.237 -10.428 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.453 -0.239 -12.177 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.515 1.171 -10.449 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.557 1.953 -11.691 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.531 0.309 -13.361 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.597 -0.261 -12.093 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -6.793 2.408 -14.240 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -8.285 3.322 -13.996 1.00 0.00 H new ATOM 947 N PHE A 61 -4.061 0.361 -8.975 1.00 0.00 N ATOM 948 CA PHE A 61 -3.076 0.747 -7.974 1.00 0.00 C ATOM 949 C PHE A 61 -1.820 -0.106 -8.116 1.00 0.00 C ATOM 950 O PHE A 61 -0.700 0.397 -8.043 1.00 0.00 O ATOM 951 CB PHE A 61 -3.672 0.588 -6.569 1.00 0.00 C ATOM 952 CG PHE A 61 -2.726 0.938 -5.460 1.00 0.00 C ATOM 953 CD1 PHE A 61 -2.512 2.259 -5.113 1.00 0.00 C ATOM 954 CD2 PHE A 61 -2.052 -0.054 -4.766 1.00 0.00 C ATOM 955 CE1 PHE A 61 -1.642 2.586 -4.093 1.00 0.00 C ATOM 956 CE2 PHE A 61 -1.180 0.267 -3.745 1.00 0.00 C ATOM 957 CZ PHE A 61 -0.975 1.589 -3.408 1.00 0.00 C ATOM 0 H PHE A 61 -4.929 -0.011 -8.589 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.805 1.792 -8.126 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.558 1.218 -6.488 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.001 -0.443 -6.440 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.031 3.043 -5.645 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.211 -1.090 -5.027 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.483 3.621 -3.830 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.660 -0.515 -3.212 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.294 1.844 -2.610 1.00 0.00 H new ATOM 967 N ALA A 62 -2.026 -1.397 -8.337 1.00 0.00 N ATOM 968 CA ALA A 62 -0.928 -2.340 -8.509 1.00 0.00 C ATOM 969 C ALA A 62 -0.061 -1.969 -9.709 1.00 0.00 C ATOM 970 O ALA A 62 1.168 -1.940 -9.616 1.00 0.00 O ATOM 971 CB ALA A 62 -1.480 -3.745 -8.672 1.00 0.00 C ATOM 0 H ALA A 62 -2.952 -1.819 -8.402 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.299 -2.300 -7.620 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.656 -4.447 -8.800 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.053 -4.016 -7.785 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.128 -3.782 -9.548 1.00 0.00 H new ATOM 977 N LYS A 63 -0.715 -1.680 -10.829 1.00 0.00 N ATOM 978 CA LYS A 63 -0.018 -1.308 -12.056 1.00 0.00 C ATOM 979 C LYS A 63 0.774 -0.019 -11.851 1.00 0.00 C ATOM 980 O LYS A 63 1.931 0.085 -12.264 1.00 0.00 O ATOM 981 CB LYS A 63 -1.017 -1.136 -13.204 1.00 0.00 C ATOM 982 CG LYS A 63 -1.851 -2.380 -13.476 1.00 0.00 C ATOM 983 CD LYS A 63 -3.009 -2.079 -14.412 1.00 0.00 C ATOM 984 CE LYS A 63 -3.980 -3.250 -14.503 1.00 0.00 C ATOM 985 NZ LYS A 63 -3.410 -4.410 -15.238 1.00 0.00 N ATOM 0 H LYS A 63 -1.731 -1.696 -10.913 1.00 0.00 H new ATOM 0 HA LYS A 63 0.678 -2.107 -12.313 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.684 -0.305 -12.973 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.474 -0.867 -14.110 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.220 -3.154 -13.913 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.235 -2.775 -12.535 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.539 -1.193 -14.062 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.624 -1.848 -15.405 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.260 -3.564 -13.497 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.893 -2.922 -15.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.110 -5.178 -15.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.167 -4.121 -16.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.554 -4.743 -14.751 1.00 0.00 H new ATOM 999 N ALA A 64 0.145 0.955 -11.199 1.00 0.00 N ATOM 1000 CA ALA A 64 0.784 2.237 -10.926 1.00 0.00 C ATOM 1001 C ALA A 64 1.987 2.061 -10.005 1.00 0.00 C ATOM 1002 O ALA A 64 3.037 2.676 -10.211 1.00 0.00 O ATOM 1003 CB ALA A 64 -0.214 3.206 -10.308 1.00 0.00 C ATOM 0 H ALA A 64 -0.810 0.879 -10.849 1.00 0.00 H new ATOM 0 HA ALA A 64 1.135 2.649 -11.872 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.278 4.158 -10.110 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.044 3.363 -10.997 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.592 2.792 -9.373 1.00 0.00 H new ATOM 1009 N LEU A 65 1.826 1.214 -8.995 1.00 0.00 N ATOM 1010 CA LEU A 65 2.881 0.949 -8.024 1.00 0.00 C ATOM 1011 C LEU A 65 4.118 0.393 -8.723 1.00 0.00 C ATOM 1012 O LEU A 65 5.223 0.912 -8.562 1.00 0.00 O ATOM 1013 CB LEU A 65 2.384 -0.057 -6.983 1.00 0.00 C ATOM 1014 CG LEU A 65 3.167 -0.103 -5.673 1.00 0.00 C ATOM 1015 CD1 LEU A 65 2.823 1.097 -4.807 1.00 0.00 C ATOM 1016 CD2 LEU A 65 2.878 -1.396 -4.930 1.00 0.00 C ATOM 0 H LEU A 65 0.965 0.694 -8.826 1.00 0.00 H new ATOM 0 HA LEU A 65 3.145 1.884 -7.530 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.343 0.171 -6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.402 -1.051 -7.429 1.00 0.00 H new ATOM 0 HG LEU A 65 4.232 -0.067 -5.903 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.390 1.049 -3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.076 2.014 -5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.756 1.090 -4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.443 -1.414 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.812 -1.458 -4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.171 -2.244 -5.549 1.00 0.00 H new ATOM 1028 N ALA A 66 3.912 -0.652 -9.521 1.00 0.00 N ATOM 1029 CA ALA A 66 5.004 -1.316 -10.224 1.00 0.00 C ATOM 1030 C ALA A 66 5.697 -0.371 -11.199 1.00 0.00 C ATOM 1031 O ALA A 66 6.921 -0.378 -11.316 1.00 0.00 O ATOM 1032 CB ALA A 66 4.490 -2.546 -10.956 1.00 0.00 C ATOM 0 H ALA A 66 2.993 -1.058 -9.697 1.00 0.00 H new ATOM 0 HA ALA A 66 5.739 -1.626 -9.481 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.316 -3.031 -11.476 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.055 -3.241 -10.238 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.731 -2.248 -11.679 1.00 0.00 H new ATOM 1038 N GLN A 67 4.911 0.448 -11.890 1.00 0.00 N ATOM 1039 CA GLN A 67 5.456 1.402 -12.848 1.00 0.00 C ATOM 1040 C GLN A 67 6.257 2.489 -12.129 1.00 0.00 C ATOM 1041 O GLN A 67 7.230 3.017 -12.671 1.00 0.00 O ATOM 1042 CB GLN A 67 4.329 2.022 -13.678 1.00 0.00 C ATOM 1043 CG GLN A 67 4.799 3.018 -14.735 1.00 0.00 C ATOM 1044 CD GLN A 67 5.791 2.424 -15.718 1.00 0.00 C ATOM 1045 OE1 GLN A 67 5.405 1.853 -16.738 1.00 0.00 O ATOM 1046 NE2 GLN A 67 7.074 2.575 -15.429 1.00 0.00 N ATOM 0 H GLN A 67 3.895 0.470 -11.804 1.00 0.00 H new ATOM 0 HA GLN A 67 6.130 0.872 -13.521 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.775 1.223 -14.170 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.634 2.525 -13.006 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.934 3.391 -15.283 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.257 3.874 -14.240 1.00 0.00 H new ATOM 0 HE21 GLN A 67 7.351 3.055 -14.573 1.00 0.00 H new ATOM 0 HE22 GLN A 67 7.786 2.211 -16.063 1.00 0.00 H new ATOM 1055 N SER A 68 5.860 2.803 -10.903 1.00 0.00 N ATOM 1056 CA SER A 68 6.567 3.799 -10.110 1.00 0.00 C ATOM 1057 C SER A 68 7.960 3.293 -9.747 1.00 0.00 C ATOM 1058 O SER A 68 8.924 4.057 -9.724 1.00 0.00 O ATOM 1059 CB SER A 68 5.774 4.141 -8.845 1.00 0.00 C ATOM 1060 OG SER A 68 4.502 4.685 -9.166 1.00 0.00 O ATOM 0 H SER A 68 5.055 2.384 -10.438 1.00 0.00 H new ATOM 0 HA SER A 68 6.670 4.707 -10.705 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.646 3.244 -8.239 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.336 4.855 -8.243 1.00 0.00 H new ATOM 0 HG SER A 68 3.873 3.957 -9.355 1.00 0.00 H new ATOM 1066 N VAL A 69 8.062 1.994 -9.485 1.00 0.00 N ATOM 1067 CA VAL A 69 9.345 1.378 -9.177 1.00 0.00 C ATOM 1068 C VAL A 69 10.176 1.226 -10.443 1.00 0.00 C ATOM 1069 O VAL A 69 11.386 1.439 -10.437 1.00 0.00 O ATOM 1070 CB VAL A 69 9.187 -0.026 -8.556 1.00 0.00 C ATOM 1071 CG1 VAL A 69 10.517 -0.520 -8.025 1.00 0.00 C ATOM 1072 CG2 VAL A 69 8.152 -0.048 -7.453 1.00 0.00 C ATOM 0 H VAL A 69 7.272 1.349 -9.480 1.00 0.00 H new ATOM 0 HA VAL A 69 9.835 2.035 -8.459 1.00 0.00 H new ATOM 0 HB VAL A 69 8.841 -0.691 -9.347 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.390 -1.511 -7.590 1.00 0.00 H new ATOM 0 HG12 VAL A 69 11.238 -0.572 -8.841 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.882 0.167 -7.261 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.075 -1.056 -7.046 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.448 0.641 -6.662 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.185 0.255 -7.855 1.00 0.00 H new ATOM 1082 N LYS A 70 9.511 0.853 -11.528 1.00 0.00 N ATOM 1083 CA LYS A 70 10.180 0.527 -12.785 1.00 0.00 C ATOM 1084 C LYS A 70 11.065 1.676 -13.267 1.00 0.00 C ATOM 1085 O LYS A 70 12.070 1.449 -13.937 1.00 0.00 O ATOM 1086 CB LYS A 70 9.141 0.179 -13.851 1.00 0.00 C ATOM 1087 CG LYS A 70 9.715 -0.555 -15.052 1.00 0.00 C ATOM 1088 CD LYS A 70 8.653 -0.813 -16.108 1.00 0.00 C ATOM 1089 CE LYS A 70 9.195 -1.659 -17.249 1.00 0.00 C ATOM 1090 NZ LYS A 70 10.407 -1.057 -17.868 1.00 0.00 N ATOM 0 H LYS A 70 8.495 0.767 -11.564 1.00 0.00 H new ATOM 0 HA LYS A 70 10.824 -0.335 -12.610 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.363 -0.436 -13.399 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.663 1.097 -14.193 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.525 0.032 -15.485 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.146 -1.503 -14.729 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.801 -1.318 -15.653 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.289 0.137 -16.499 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.435 -2.655 -16.878 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.423 -1.779 -18.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.643 -1.571 -18.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.222 -0.059 -18.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.204 -1.120 -17.203 1.00 0.00 H new ATOM 1104 N SER A 71 10.707 2.896 -12.877 1.00 0.00 N ATOM 1105 CA SER A 71 11.411 4.098 -13.313 1.00 0.00 C ATOM 1106 C SER A 71 12.890 4.087 -12.900 1.00 0.00 C ATOM 1107 O SER A 71 13.716 4.748 -13.531 1.00 0.00 O ATOM 1108 CB SER A 71 10.714 5.338 -12.741 1.00 0.00 C ATOM 1109 OG SER A 71 11.291 6.534 -13.241 1.00 0.00 O ATOM 0 H SER A 71 9.923 3.079 -12.251 1.00 0.00 H new ATOM 0 HA SER A 71 11.381 4.123 -14.402 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.654 5.310 -12.994 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.783 5.326 -11.653 1.00 0.00 H new ATOM 0 HG SER A 71 10.824 7.307 -12.859 1.00 0.00 H new ATOM 1115 N ASN A 72 13.227 3.343 -11.849 1.00 0.00 N ATOM 1116 CA ASN A 72 14.610 3.283 -11.381 1.00 0.00 C ATOM 1117 C ASN A 72 15.380 2.193 -12.117 1.00 0.00 C ATOM 1118 O ASN A 72 16.608 2.236 -12.205 1.00 0.00 O ATOM 1119 CB ASN A 72 14.672 3.064 -9.853 1.00 0.00 C ATOM 1120 CG ASN A 72 14.272 1.662 -9.388 1.00 0.00 C ATOM 1121 OD1 ASN A 72 14.724 0.644 -9.909 1.00 0.00 O ATOM 1122 ND2 ASN A 72 13.401 1.597 -8.397 1.00 0.00 N ATOM 0 H ASN A 72 12.570 2.779 -11.310 1.00 0.00 H new ATOM 0 HA ASN A 72 15.081 4.241 -11.599 1.00 0.00 H new ATOM 0 HB2 ASN A 72 15.687 3.269 -9.512 1.00 0.00 H new ATOM 0 HB3 ASN A 72 14.020 3.792 -9.369 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.091 0.690 -8.049 1.00 0.00 H new ATOM 0 HD22 ASN A 72 13.039 2.454 -7.979 1.00 0.00 H new ATOM 1129 N LEU A 73 14.645 1.237 -12.672 1.00 0.00 N ATOM 1130 CA LEU A 73 15.249 0.061 -13.275 1.00 0.00 C ATOM 1131 C LEU A 73 15.380 0.249 -14.780 1.00 0.00 C ATOM 1132 O LEU A 73 16.402 -0.096 -15.372 1.00 0.00 O ATOM 1133 CB LEU A 73 14.401 -1.181 -12.951 1.00 0.00 C ATOM 1134 CG LEU A 73 15.109 -2.543 -13.062 1.00 0.00 C ATOM 1135 CD1 LEU A 73 15.316 -2.952 -14.513 1.00 0.00 C ATOM 1136 CD2 LEU A 73 16.439 -2.513 -12.320 1.00 0.00 C ATOM 0 H LEU A 73 13.626 1.256 -12.716 1.00 0.00 H new ATOM 0 HA LEU A 73 16.248 -0.081 -12.863 1.00 0.00 H new ATOM 0 HB2 LEU A 73 14.018 -1.077 -11.936 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.539 -1.189 -13.618 1.00 0.00 H new ATOM 0 HG LEU A 73 14.464 -3.290 -12.599 1.00 0.00 H new ATOM 0 HD11 LEU A 73 15.819 -3.918 -14.550 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.350 -3.026 -15.012 1.00 0.00 H new ATOM 0 HD13 LEU A 73 15.928 -2.205 -15.018 1.00 0.00 H new ATOM 0 HD21 LEU A 73 16.927 -3.484 -12.408 1.00 0.00 H new ATOM 0 HD22 LEU A 73 17.080 -1.744 -12.752 1.00 0.00 H new ATOM 0 HD23 LEU A 73 16.264 -2.289 -11.268 1.00 0.00 H new ATOM 1148 N GLU A 74 14.356 0.830 -15.395 1.00 0.00 N ATOM 1149 CA GLU A 74 14.345 1.000 -16.842 1.00 0.00 C ATOM 1150 C GLU A 74 15.120 2.250 -17.259 1.00 0.00 C ATOM 1151 O GLU A 74 14.784 2.914 -18.241 1.00 0.00 O ATOM 1152 CB GLU A 74 12.907 1.038 -17.370 1.00 0.00 C ATOM 1153 CG GLU A 74 12.064 2.200 -16.871 1.00 0.00 C ATOM 1154 CD GLU A 74 10.625 2.077 -17.322 1.00 0.00 C ATOM 1155 OE1 GLU A 74 10.398 1.569 -18.443 1.00 0.00 O ATOM 1156 OE2 GLU A 74 9.716 2.442 -16.553 1.00 0.00 O ATOM 0 H GLU A 74 13.529 1.189 -14.918 1.00 0.00 H new ATOM 0 HA GLU A 74 14.847 0.141 -17.287 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.938 1.074 -18.459 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.412 0.107 -17.096 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.103 2.238 -15.782 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.482 3.138 -17.237 1.00 0.00 H new ATOM 1163 N HIS A 75 16.179 2.538 -16.514 1.00 0.00 N ATOM 1164 CA HIS A 75 17.081 3.632 -16.833 1.00 0.00 C ATOM 1165 C HIS A 75 17.728 3.369 -18.189 1.00 0.00 C ATOM 1166 O HIS A 75 18.600 2.508 -18.301 1.00 0.00 O ATOM 1167 CB HIS A 75 18.153 3.753 -15.738 1.00 0.00 C ATOM 1168 CG HIS A 75 19.067 4.930 -15.892 1.00 0.00 C ATOM 1169 ND1 HIS A 75 20.417 4.810 -16.135 1.00 0.00 N ATOM 1170 CD2 HIS A 75 18.821 6.259 -15.806 1.00 0.00 C ATOM 1171 CE1 HIS A 75 20.960 6.010 -16.191 1.00 0.00 C ATOM 1172 NE2 HIS A 75 20.015 6.909 -15.995 1.00 0.00 N ATOM 0 H HIS A 75 16.435 2.020 -15.674 1.00 0.00 H new ATOM 0 HA HIS A 75 16.526 4.569 -16.880 1.00 0.00 H new ATOM 0 HB2 HIS A 75 17.659 3.817 -14.769 1.00 0.00 H new ATOM 0 HB3 HIS A 75 18.752 2.842 -15.731 1.00 0.00 H new ATOM 0 HD2 HIS A 75 17.863 6.722 -15.623 1.00 0.00 H new ATOM 0 HE1 HIS A 75 22.004 6.222 -16.368 1.00 0.00 H new ATOM 0 HE2 HIS A 75 20.149 7.920 -15.985 1.00 0.00 H new ATOM 1181 N HIS A 76 17.245 4.076 -19.214 1.00 0.00 N ATOM 1182 CA HIS A 76 17.705 3.911 -20.603 1.00 0.00 C ATOM 1183 C HIS A 76 17.109 2.648 -21.230 1.00 0.00 C ATOM 1184 O HIS A 76 16.706 2.652 -22.392 1.00 0.00 O ATOM 1185 CB HIS A 76 19.240 3.893 -20.691 1.00 0.00 C ATOM 1186 CG HIS A 76 19.780 3.732 -22.081 1.00 0.00 C ATOM 1187 ND1 HIS A 76 20.591 2.682 -22.457 1.00 0.00 N ATOM 1188 CD2 HIS A 76 19.634 4.503 -23.184 1.00 0.00 C ATOM 1189 CE1 HIS A 76 20.922 2.816 -23.728 1.00 0.00 C ATOM 1190 NE2 HIS A 76 20.353 3.912 -24.190 1.00 0.00 N ATOM 0 H HIS A 76 16.519 4.784 -19.107 1.00 0.00 H new ATOM 0 HA HIS A 76 17.352 4.773 -21.170 1.00 0.00 H new ATOM 0 HB2 HIS A 76 19.627 4.821 -20.270 1.00 0.00 H new ATOM 0 HB3 HIS A 76 19.618 3.080 -20.071 1.00 0.00 H new ATOM 0 HD2 HIS A 76 19.058 5.414 -23.258 1.00 0.00 H new ATOM 0 HE1 HIS A 76 21.551 2.143 -24.292 1.00 0.00 H new ATOM 0 HE2 HIS A 76 20.435 4.264 -25.144 1.00 0.00 H new ATOM 1199 N HIS A 77 17.044 1.574 -20.458 1.00 0.00 N ATOM 1200 CA HIS A 77 16.454 0.334 -20.934 1.00 0.00 C ATOM 1201 C HIS A 77 14.977 0.272 -20.544 1.00 0.00 C ATOM 1202 O HIS A 77 14.602 -0.409 -19.589 1.00 0.00 O ATOM 1203 CB HIS A 77 17.218 -0.878 -20.375 1.00 0.00 C ATOM 1204 CG HIS A 77 16.766 -2.203 -20.925 1.00 0.00 C ATOM 1205 ND1 HIS A 77 17.432 -2.870 -21.928 1.00 0.00 N ATOM 1206 CD2 HIS A 77 15.710 -2.986 -20.599 1.00 0.00 C ATOM 1207 CE1 HIS A 77 16.804 -3.999 -22.198 1.00 0.00 C ATOM 1208 NE2 HIS A 77 15.755 -4.095 -21.403 1.00 0.00 N ATOM 0 H HIS A 77 17.392 1.537 -19.500 1.00 0.00 H new ATOM 0 HA HIS A 77 16.527 0.306 -22.021 1.00 0.00 H new ATOM 0 HB2 HIS A 77 18.280 -0.753 -20.588 1.00 0.00 H new ATOM 0 HB3 HIS A 77 17.110 -0.892 -19.290 1.00 0.00 H new ATOM 0 HD2 HIS A 77 14.968 -2.775 -19.843 1.00 0.00 H new ATOM 0 HE1 HIS A 77 17.099 -4.722 -22.944 1.00 0.00 H new ATOM 0 HE2 HIS A 77 15.088 -4.867 -21.389 1.00 0.00 H new ATOM 1217 N HIS A 78 14.153 1.019 -21.272 1.00 0.00 N ATOM 1218 CA HIS A 78 12.703 0.990 -21.083 1.00 0.00 C ATOM 1219 C HIS A 78 12.175 -0.401 -21.422 1.00 0.00 C ATOM 1220 O HIS A 78 11.300 -0.938 -20.742 1.00 0.00 O ATOM 1221 CB HIS A 78 12.049 2.065 -21.963 1.00 0.00 C ATOM 1222 CG HIS A 78 10.546 2.040 -21.999 1.00 0.00 C ATOM 1223 ND1 HIS A 78 9.754 2.100 -20.875 1.00 0.00 N ATOM 1224 CD2 HIS A 78 9.694 1.979 -23.049 1.00 0.00 C ATOM 1225 CE1 HIS A 78 8.484 2.079 -21.231 1.00 0.00 C ATOM 1226 NE2 HIS A 78 8.419 2.005 -22.546 1.00 0.00 N ATOM 0 H HIS A 78 14.466 1.657 -22.004 1.00 0.00 H new ATOM 0 HA HIS A 78 12.456 1.205 -20.043 1.00 0.00 H new ATOM 0 HB2 HIS A 78 12.371 3.045 -21.611 1.00 0.00 H new ATOM 0 HB3 HIS A 78 12.422 1.954 -22.981 1.00 0.00 H new ATOM 0 HD1 HIS A 78 10.096 2.153 -19.915 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.968 1.921 -24.092 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.640 2.116 -20.559 1.00 0.00 H new ATOM 1235 N HIS A 79 12.741 -0.961 -22.479 1.00 0.00 N ATOM 1236 CA HIS A 79 12.485 -2.331 -22.908 1.00 0.00 C ATOM 1237 C HIS A 79 13.339 -2.573 -24.138 1.00 0.00 C ATOM 1238 O HIS A 79 13.897 -3.649 -24.334 1.00 0.00 O ATOM 1239 CB HIS A 79 11.008 -2.568 -23.226 1.00 0.00 C ATOM 1240 CG HIS A 79 10.632 -4.020 -23.276 1.00 0.00 C ATOM 1241 ND1 HIS A 79 10.051 -4.618 -24.373 1.00 0.00 N ATOM 1242 CD2 HIS A 79 10.748 -4.993 -22.340 1.00 0.00 C ATOM 1243 CE1 HIS A 79 9.829 -5.894 -24.110 1.00 0.00 C ATOM 1244 NE2 HIS A 79 10.244 -6.147 -22.882 1.00 0.00 N ATOM 0 H HIS A 79 13.405 -0.468 -23.076 1.00 0.00 H new ATOM 0 HA HIS A 79 12.737 -3.024 -22.105 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.398 -2.069 -22.473 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.772 -2.107 -24.185 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.162 -4.880 -21.349 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.383 -6.609 -24.785 1.00 0.00 H new ATOM 0 HE2 HIS A 79 10.197 -7.052 -22.414 1.00 0.00 H new ATOM 1253 N HIS A 80 13.422 -1.538 -24.958 1.00 0.00 N ATOM 1254 CA HIS A 80 14.413 -1.455 -26.010 1.00 0.00 C ATOM 1255 C HIS A 80 15.250 -0.204 -25.784 1.00 0.00 C ATOM 1256 O HIS A 80 16.395 -0.333 -25.321 1.00 0.00 O ATOM 1257 CB HIS A 80 13.762 -1.416 -27.399 1.00 0.00 C ATOM 1258 CG HIS A 80 14.730 -1.091 -28.501 1.00 0.00 C ATOM 1259 ND1 HIS A 80 14.602 0.018 -29.303 1.00 0.00 N ATOM 1260 CD2 HIS A 80 15.851 -1.722 -28.913 1.00 0.00 C ATOM 1261 CE1 HIS A 80 15.602 0.059 -30.160 1.00 0.00 C ATOM 1262 NE2 HIS A 80 16.378 -0.987 -29.945 1.00 0.00 N ATOM 1263 OXT HIS A 80 14.731 0.903 -26.032 1.00 0.00 O ATOM 0 H HIS A 80 12.800 -0.731 -24.910 1.00 0.00 H new ATOM 0 HA HIS A 80 15.042 -2.344 -25.976 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.301 -2.382 -27.603 1.00 0.00 H new ATOM 0 HB3 HIS A 80 12.963 -0.675 -27.397 1.00 0.00 H new ATOM 0 HD2 HIS A 80 16.257 -2.636 -28.506 1.00 0.00 H new ATOM 0 HE1 HIS A 80 15.760 0.819 -30.911 1.00 0.00 H new ATOM 0 HE2 HIS A 80 17.229 -1.212 -30.461 1.00 0.00 H new TER 1272 HIS A 80 ATOM 1273 N MET B 1 13.678 -24.461 17.907 1.00 0.00 N ATOM 1274 CA MET B 1 12.488 -23.712 18.377 1.00 0.00 C ATOM 1275 C MET B 1 11.211 -24.340 17.840 1.00 0.00 C ATOM 1276 O MET B 1 11.046 -24.503 16.631 1.00 0.00 O ATOM 1277 CB MET B 1 12.561 -22.244 17.947 1.00 0.00 C ATOM 1278 CG MET B 1 13.617 -21.438 18.688 1.00 0.00 C ATOM 1279 SD MET B 1 13.671 -19.714 18.162 1.00 0.00 S ATOM 1280 CE MET B 1 14.947 -19.076 19.245 1.00 0.00 C ATOM 0 H1 MET B 1 14.534 -24.058 18.338 1.00 0.00 H new ATOM 0 H2 MET B 1 13.590 -25.460 18.181 1.00 0.00 H new ATOM 0 H3 MET B 1 13.746 -24.390 16.872 1.00 0.00 H new ATOM 0 HA MET B 1 12.476 -23.758 19.466 1.00 0.00 H new ATOM 0 HB2 MET B 1 12.767 -22.198 16.878 1.00 0.00 H new ATOM 0 HB3 MET B 1 11.587 -21.780 18.104 1.00 0.00 H new ATOM 0 HG2 MET B 1 13.416 -21.481 19.759 1.00 0.00 H new ATOM 0 HG3 MET B 1 14.594 -21.893 18.528 1.00 0.00 H new ATOM 0 HE1 MET B 1 15.099 -18.016 19.043 1.00 0.00 H new ATOM 0 HE2 MET B 1 14.642 -19.207 20.283 1.00 0.00 H new ATOM 0 HE3 MET B 1 15.877 -19.616 19.069 1.00 0.00 H new ATOM 1292 N ALA B 2 10.319 -24.703 18.750 1.00 0.00 N ATOM 1293 CA ALA B 2 9.030 -25.268 18.386 1.00 0.00 C ATOM 1294 C ALA B 2 8.021 -24.158 18.124 1.00 0.00 C ATOM 1295 O ALA B 2 7.085 -24.323 17.341 1.00 0.00 O ATOM 1296 CB ALA B 2 8.536 -26.195 19.486 1.00 0.00 C ATOM 0 H ALA B 2 10.468 -24.615 19.755 1.00 0.00 H new ATOM 0 HA ALA B 2 9.145 -25.848 17.471 1.00 0.00 H new ATOM 0 HB1 ALA B 2 7.570 -26.613 19.203 1.00 0.00 H new ATOM 0 HB2 ALA B 2 9.253 -27.003 19.630 1.00 0.00 H new ATOM 0 HB3 ALA B 2 8.431 -25.634 20.415 1.00 0.00 H new ATOM 1302 N ILE B 3 8.215 -23.023 18.786 1.00 0.00 N ATOM 1303 CA ILE B 3 7.358 -21.865 18.584 1.00 0.00 C ATOM 1304 C ILE B 3 7.794 -21.109 17.336 1.00 0.00 C ATOM 1305 O ILE B 3 8.865 -20.503 17.301 1.00 0.00 O ATOM 1306 CB ILE B 3 7.374 -20.915 19.804 1.00 0.00 C ATOM 1307 CG1 ILE B 3 6.810 -21.623 21.040 1.00 0.00 C ATOM 1308 CG2 ILE B 3 6.588 -19.639 19.513 1.00 0.00 C ATOM 1309 CD1 ILE B 3 5.380 -22.093 20.875 1.00 0.00 C ATOM 0 H ILE B 3 8.960 -22.882 19.468 1.00 0.00 H new ATOM 0 HA ILE B 3 6.338 -22.228 18.459 1.00 0.00 H new ATOM 0 HB ILE B 3 8.409 -20.636 20.004 1.00 0.00 H new ATOM 0 HG12 ILE B 3 7.440 -22.481 21.275 1.00 0.00 H new ATOM 0 HG13 ILE B 3 6.864 -20.945 21.892 1.00 0.00 H new ATOM 0 HG21 ILE B 3 6.615 -18.988 20.387 1.00 0.00 H new ATOM 0 HG22 ILE B 3 7.034 -19.123 18.662 1.00 0.00 H new ATOM 0 HG23 ILE B 3 5.554 -19.894 19.282 1.00 0.00 H new ATOM 0 HD11 ILE B 3 5.051 -22.584 21.791 1.00 0.00 H new ATOM 0 HD12 ILE B 3 4.737 -21.237 20.671 1.00 0.00 H new ATOM 0 HD13 ILE B 3 5.322 -22.797 20.045 1.00 0.00 H new ATOM 1321 N GLN B 4 6.955 -21.155 16.315 1.00 0.00 N ATOM 1322 CA GLN B 4 7.279 -20.563 15.030 1.00 0.00 C ATOM 1323 C GLN B 4 6.539 -19.247 14.854 1.00 0.00 C ATOM 1324 O GLN B 4 5.492 -19.185 14.205 1.00 0.00 O ATOM 1325 CB GLN B 4 6.926 -21.538 13.911 1.00 0.00 C ATOM 1326 CG GLN B 4 7.604 -22.886 14.066 1.00 0.00 C ATOM 1327 CD GLN B 4 7.004 -23.948 13.175 1.00 0.00 C ATOM 1328 OE1 GLN B 4 6.056 -24.634 13.562 1.00 0.00 O ATOM 1329 NE2 GLN B 4 7.551 -24.097 11.982 1.00 0.00 N ATOM 0 H GLN B 4 6.038 -21.600 16.353 1.00 0.00 H new ATOM 0 HA GLN B 4 8.349 -20.357 14.989 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.846 -21.681 13.888 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.210 -21.102 12.953 1.00 0.00 H new ATOM 0 HG2 GLN B 4 8.665 -22.783 13.837 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.532 -23.207 15.105 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.335 -23.507 11.703 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.190 -24.802 11.340 1.00 0.00 H new ATOM 1338 N SER B 5 7.064 -18.207 15.477 1.00 0.00 N ATOM 1339 CA SER B 5 6.467 -16.886 15.407 1.00 0.00 C ATOM 1340 C SER B 5 7.541 -15.817 15.545 1.00 0.00 C ATOM 1341 O SER B 5 8.506 -15.990 16.289 1.00 0.00 O ATOM 1342 CB SER B 5 5.409 -16.722 16.504 1.00 0.00 C ATOM 1343 OG SER B 5 4.388 -17.701 16.381 1.00 0.00 O ATOM 0 H SER B 5 7.912 -18.254 16.043 1.00 0.00 H new ATOM 0 HA SER B 5 5.983 -16.772 14.437 1.00 0.00 H new ATOM 0 HB2 SER B 5 5.880 -16.805 17.483 1.00 0.00 H new ATOM 0 HB3 SER B 5 4.971 -15.726 16.445 1.00 0.00 H new ATOM 0 HG SER B 5 3.727 -17.575 17.093 1.00 0.00 H new ATOM 1349 N LYS B 6 7.377 -14.724 14.815 1.00 0.00 N ATOM 1350 CA LYS B 6 8.322 -13.618 14.876 1.00 0.00 C ATOM 1351 C LYS B 6 7.593 -12.328 15.229 1.00 0.00 C ATOM 1352 O LYS B 6 8.012 -11.580 16.109 1.00 0.00 O ATOM 1353 CB LYS B 6 9.046 -13.460 13.534 1.00 0.00 C ATOM 1354 CG LYS B 6 10.085 -12.351 13.522 1.00 0.00 C ATOM 1355 CD LYS B 6 10.616 -12.107 12.122 1.00 0.00 C ATOM 1356 CE LYS B 6 11.638 -10.984 12.103 1.00 0.00 C ATOM 1357 NZ LYS B 6 11.992 -10.595 10.715 1.00 0.00 N ATOM 0 H LYS B 6 6.598 -14.579 14.173 1.00 0.00 H new ATOM 0 HA LYS B 6 9.060 -13.832 15.648 1.00 0.00 H new ATOM 0 HB2 LYS B 6 9.532 -14.402 13.281 1.00 0.00 H new ATOM 0 HB3 LYS B 6 8.309 -13.262 12.756 1.00 0.00 H new ATOM 0 HG2 LYS B 6 9.644 -11.433 13.911 1.00 0.00 H new ATOM 0 HG3 LYS B 6 10.909 -12.615 14.185 1.00 0.00 H new ATOM 0 HD2 LYS B 6 11.071 -13.021 11.740 1.00 0.00 H new ATOM 0 HD3 LYS B 6 9.789 -11.860 11.456 1.00 0.00 H new ATOM 0 HE2 LYS B 6 11.240 -10.119 12.634 1.00 0.00 H new ATOM 0 HE3 LYS B 6 12.536 -11.299 12.634 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 12.798 -9.938 10.733 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 12.250 -11.444 10.172 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 11.177 -10.131 10.266 1.00 0.00 H new ATOM 1371 N TYR B 7 6.492 -12.077 14.533 1.00 0.00 N ATOM 1372 CA TYR B 7 5.700 -10.881 14.767 1.00 0.00 C ATOM 1373 C TYR B 7 4.463 -11.225 15.583 1.00 0.00 C ATOM 1374 O TYR B 7 3.754 -12.182 15.273 1.00 0.00 O ATOM 1375 CB TYR B 7 5.279 -10.245 13.439 1.00 0.00 C ATOM 1376 CG TYR B 7 6.422 -10.012 12.478 1.00 0.00 C ATOM 1377 CD1 TYR B 7 7.344 -8.995 12.690 1.00 0.00 C ATOM 1378 CD2 TYR B 7 6.582 -10.816 11.358 1.00 0.00 C ATOM 1379 CE1 TYR B 7 8.388 -8.784 11.810 1.00 0.00 C ATOM 1380 CE2 TYR B 7 7.623 -10.613 10.474 1.00 0.00 C ATOM 1381 CZ TYR B 7 8.524 -9.597 10.704 1.00 0.00 C ATOM 1382 OH TYR B 7 9.566 -9.395 9.828 1.00 0.00 O ATOM 0 H TYR B 7 6.128 -12.688 13.801 1.00 0.00 H new ATOM 0 HA TYR B 7 6.311 -10.168 15.320 1.00 0.00 H new ATOM 0 HB2 TYR B 7 4.540 -10.886 12.959 1.00 0.00 H new ATOM 0 HB3 TYR B 7 4.790 -9.293 13.643 1.00 0.00 H new ATOM 0 HD1 TYR B 7 7.243 -8.359 13.557 1.00 0.00 H new ATOM 0 HD2 TYR B 7 5.879 -11.615 11.175 1.00 0.00 H new ATOM 0 HE1 TYR B 7 9.094 -7.986 11.987 1.00 0.00 H new ATOM 0 HE2 TYR B 7 7.730 -11.248 9.607 1.00 0.00 H new ATOM 0 HH TYR B 7 9.376 -9.853 8.983 1.00 0.00 H new ATOM 1392 N SER B 8 4.215 -10.458 16.632 1.00 0.00 N ATOM 1393 CA SER B 8 3.015 -10.633 17.429 1.00 0.00 C ATOM 1394 C SER B 8 1.808 -10.095 16.671 1.00 0.00 C ATOM 1395 O SER B 8 1.863 -9.000 16.105 1.00 0.00 O ATOM 1396 CB SER B 8 3.160 -9.914 18.773 1.00 0.00 C ATOM 1397 OG SER B 8 1.958 -9.980 19.524 1.00 0.00 O ATOM 0 H SER B 8 4.829 -9.709 16.950 1.00 0.00 H new ATOM 0 HA SER B 8 2.869 -11.696 17.619 1.00 0.00 H new ATOM 0 HB2 SER B 8 3.973 -10.364 19.343 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.429 -8.871 18.603 1.00 0.00 H new ATOM 0 HG SER B 8 2.080 -9.515 20.378 1.00 0.00 H new ATOM 1403 N ASN B 9 0.728 -10.873 16.656 1.00 0.00 N ATOM 1404 CA ASN B 9 -0.508 -10.468 15.994 1.00 0.00 C ATOM 1405 C ASN B 9 -0.966 -9.111 16.499 1.00 0.00 C ATOM 1406 O ASN B 9 -1.303 -8.226 15.711 1.00 0.00 O ATOM 1407 CB ASN B 9 -1.611 -11.503 16.225 1.00 0.00 C ATOM 1408 CG ASN B 9 -1.385 -12.785 15.452 1.00 0.00 C ATOM 1409 OD1 ASN B 9 -0.723 -13.707 15.930 1.00 0.00 O ATOM 1410 ND2 ASN B 9 -1.949 -12.857 14.257 1.00 0.00 N ATOM 0 H ASN B 9 0.685 -11.792 17.097 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.308 -10.399 14.925 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -1.671 -11.732 17.289 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -2.571 -11.075 15.936 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -1.844 -13.700 13.693 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -2.489 -12.069 13.900 1.00 0.00 H new ATOM 1417 N THR B 10 -0.936 -8.943 17.815 1.00 0.00 N ATOM 1418 CA THR B 10 -1.340 -7.697 18.437 1.00 0.00 C ATOM 1419 C THR B 10 -0.478 -6.535 17.946 1.00 0.00 C ATOM 1420 O THR B 10 -0.993 -5.458 17.646 1.00 0.00 O ATOM 1421 CB THR B 10 -1.257 -7.798 19.971 1.00 0.00 C ATOM 1422 OG1 THR B 10 -2.082 -8.879 20.431 1.00 0.00 O ATOM 1423 CG2 THR B 10 -1.701 -6.499 20.630 1.00 0.00 C ATOM 0 H THR B 10 -0.633 -9.662 18.473 1.00 0.00 H new ATOM 0 HA THR B 10 -2.375 -7.507 18.153 1.00 0.00 H new ATOM 0 HB THR B 10 -0.219 -7.985 20.245 1.00 0.00 H new ATOM 0 HG1 THR B 10 -2.025 -8.941 21.407 1.00 0.00 H new ATOM 0 HG21 THR B 10 -1.632 -6.599 21.713 1.00 0.00 H new ATOM 0 HG22 THR B 10 -1.057 -5.684 20.299 1.00 0.00 H new ATOM 0 HG23 THR B 10 -2.732 -6.283 20.350 1.00 0.00 H new ATOM 1431 N GLN B 11 0.830 -6.766 17.839 1.00 0.00 N ATOM 1432 CA GLN B 11 1.752 -5.728 17.388 1.00 0.00 C ATOM 1433 C GLN B 11 1.419 -5.288 15.965 1.00 0.00 C ATOM 1434 O GLN B 11 1.310 -4.093 15.686 1.00 0.00 O ATOM 1435 CB GLN B 11 3.205 -6.218 17.454 1.00 0.00 C ATOM 1436 CG GLN B 11 4.220 -5.178 16.992 1.00 0.00 C ATOM 1437 CD GLN B 11 4.155 -3.900 17.808 1.00 0.00 C ATOM 1438 OE1 GLN B 11 4.845 -3.754 18.815 1.00 0.00 O ATOM 1439 NE2 GLN B 11 3.317 -2.969 17.382 1.00 0.00 N ATOM 0 H GLN B 11 1.272 -7.659 18.058 1.00 0.00 H new ATOM 0 HA GLN B 11 1.640 -4.874 18.056 1.00 0.00 H new ATOM 0 HB2 GLN B 11 3.436 -6.509 18.479 1.00 0.00 H new ATOM 0 HB3 GLN B 11 3.307 -7.112 16.838 1.00 0.00 H new ATOM 0 HG2 GLN B 11 5.223 -5.599 17.061 1.00 0.00 H new ATOM 0 HG3 GLN B 11 4.044 -4.944 15.942 1.00 0.00 H new ATOM 0 HE21 GLN B 11 2.762 -3.129 16.541 1.00 0.00 H new ATOM 0 HE22 GLN B 11 3.226 -2.092 17.894 1.00 0.00 H new ATOM 1448 N VAL B 12 1.249 -6.258 15.076 1.00 0.00 N ATOM 1449 CA VAL B 12 0.945 -5.972 13.678 1.00 0.00 C ATOM 1450 C VAL B 12 -0.413 -5.289 13.552 1.00 0.00 C ATOM 1451 O VAL B 12 -0.555 -4.281 12.860 1.00 0.00 O ATOM 1452 CB VAL B 12 0.941 -7.261 12.824 1.00 0.00 C ATOM 1453 CG1 VAL B 12 0.710 -6.939 11.355 1.00 0.00 C ATOM 1454 CG2 VAL B 12 2.238 -8.033 13.007 1.00 0.00 C ATOM 0 H VAL B 12 1.316 -7.251 15.298 1.00 0.00 H new ATOM 0 HA VAL B 12 1.726 -5.308 13.309 1.00 0.00 H new ATOM 0 HB VAL B 12 0.119 -7.889 13.166 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.712 -7.862 10.776 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -0.252 -6.439 11.239 1.00 0.00 H new ATOM 0 HG13 VAL B 12 1.504 -6.284 10.997 1.00 0.00 H new ATOM 0 HG21 VAL B 12 2.213 -8.936 12.397 1.00 0.00 H new ATOM 0 HG22 VAL B 12 3.078 -7.411 12.700 1.00 0.00 H new ATOM 0 HG23 VAL B 12 2.354 -8.307 14.056 1.00 0.00 H new ATOM 1464 N GLU B 13 -1.398 -5.835 14.251 1.00 0.00 N ATOM 1465 CA GLU B 13 -2.764 -5.338 14.186 1.00 0.00 C ATOM 1466 C GLU B 13 -2.852 -3.906 14.715 1.00 0.00 C ATOM 1467 O GLU B 13 -3.566 -3.072 14.153 1.00 0.00 O ATOM 1468 CB GLU B 13 -3.678 -6.265 14.986 1.00 0.00 C ATOM 1469 CG GLU B 13 -5.142 -6.177 14.598 1.00 0.00 C ATOM 1470 CD GLU B 13 -5.975 -7.249 15.264 1.00 0.00 C ATOM 1471 OE1 GLU B 13 -5.665 -8.447 15.080 1.00 0.00 O ATOM 1472 OE2 GLU B 13 -6.948 -6.904 15.964 1.00 0.00 O ATOM 0 H GLU B 13 -1.273 -6.631 14.876 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.086 -5.325 13.145 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -3.340 -7.293 14.855 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -3.579 -6.029 16.046 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.530 -5.196 14.871 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.235 -6.267 13.516 1.00 0.00 H new ATOM 1479 N SER B 14 -2.111 -3.622 15.782 1.00 0.00 N ATOM 1480 CA SER B 14 -2.087 -2.284 16.360 1.00 0.00 C ATOM 1481 C SER B 14 -1.324 -1.319 15.454 1.00 0.00 C ATOM 1482 O SER B 14 -1.687 -0.148 15.333 1.00 0.00 O ATOM 1483 CB SER B 14 -1.455 -2.318 17.753 1.00 0.00 C ATOM 1484 OG SER B 14 -2.121 -3.250 18.590 1.00 0.00 O ATOM 0 H SER B 14 -1.520 -4.300 16.263 1.00 0.00 H new ATOM 0 HA SER B 14 -3.114 -1.930 16.451 1.00 0.00 H new ATOM 0 HB2 SER B 14 -0.401 -2.585 17.672 1.00 0.00 H new ATOM 0 HB3 SER B 14 -1.499 -1.325 18.201 1.00 0.00 H new ATOM 0 HG SER B 14 -1.650 -4.109 18.562 1.00 0.00 H new ATOM 1490 N LEU B 15 -0.274 -1.824 14.809 1.00 0.00 N ATOM 1491 CA LEU B 15 0.506 -1.027 13.871 1.00 0.00 C ATOM 1492 C LEU B 15 -0.380 -0.546 12.727 1.00 0.00 C ATOM 1493 O LEU B 15 -0.455 0.650 12.452 1.00 0.00 O ATOM 1494 CB LEU B 15 1.684 -1.842 13.323 1.00 0.00 C ATOM 1495 CG LEU B 15 2.515 -1.151 12.236 1.00 0.00 C ATOM 1496 CD1 LEU B 15 3.095 0.156 12.750 1.00 0.00 C ATOM 1497 CD2 LEU B 15 3.626 -2.071 11.756 1.00 0.00 C ATOM 0 H LEU B 15 0.055 -2.783 14.921 1.00 0.00 H new ATOM 0 HA LEU B 15 0.902 -0.159 14.399 1.00 0.00 H new ATOM 0 HB2 LEU B 15 2.343 -2.098 14.152 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.299 -2.779 12.921 1.00 0.00 H new ATOM 0 HG LEU B 15 1.859 -0.926 11.395 1.00 0.00 H new ATOM 0 HD11 LEU B 15 3.681 0.629 11.962 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.285 0.821 13.049 1.00 0.00 H new ATOM 0 HD13 LEU B 15 3.736 -0.043 13.609 1.00 0.00 H new ATOM 0 HD21 LEU B 15 4.208 -1.567 10.984 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.276 -2.324 12.593 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.192 -2.983 11.346 1.00 0.00 H new ATOM 1509 N ILE B 16 -1.065 -1.487 12.087 1.00 0.00 N ATOM 1510 CA ILE B 16 -1.971 -1.170 10.988 1.00 0.00 C ATOM 1511 C ILE B 16 -3.067 -0.219 11.459 1.00 0.00 C ATOM 1512 O ILE B 16 -3.441 0.717 10.748 1.00 0.00 O ATOM 1513 CB ILE B 16 -2.619 -2.446 10.406 1.00 0.00 C ATOM 1514 CG1 ILE B 16 -1.539 -3.431 9.954 1.00 0.00 C ATOM 1515 CG2 ILE B 16 -3.539 -2.098 9.241 1.00 0.00 C ATOM 1516 CD1 ILE B 16 -2.084 -4.766 9.497 1.00 0.00 C ATOM 0 H ILE B 16 -1.010 -2.480 12.311 1.00 0.00 H new ATOM 0 HA ILE B 16 -1.381 -0.691 10.206 1.00 0.00 H new ATOM 0 HB ILE B 16 -3.216 -2.916 11.187 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -0.970 -2.983 9.139 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.843 -3.595 10.777 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -3.986 -3.010 8.845 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -4.327 -1.429 9.587 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -2.963 -1.606 8.457 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.260 -5.410 9.192 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -2.629 -5.236 10.316 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -2.757 -4.615 8.653 1.00 0.00 H new ATOM 1528 N ALA B 17 -3.557 -0.456 12.672 1.00 0.00 N ATOM 1529 CA ALA B 17 -4.611 0.363 13.252 1.00 0.00 C ATOM 1530 C ALA B 17 -4.213 1.835 13.298 1.00 0.00 C ATOM 1531 O ALA B 17 -4.990 2.698 12.894 1.00 0.00 O ATOM 1532 CB ALA B 17 -4.968 -0.133 14.645 1.00 0.00 C ATOM 0 H ALA B 17 -3.237 -1.214 13.274 1.00 0.00 H new ATOM 0 HA ALA B 17 -5.489 0.274 12.612 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -5.758 0.492 15.062 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -5.315 -1.165 14.586 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -4.088 -0.082 15.286 1.00 0.00 H new ATOM 1538 N GLU B 18 -2.998 2.123 13.766 1.00 0.00 N ATOM 1539 CA GLU B 18 -2.553 3.508 13.884 1.00 0.00 C ATOM 1540 C GLU B 18 -2.440 4.151 12.510 1.00 0.00 C ATOM 1541 O GLU B 18 -2.798 5.314 12.335 1.00 0.00 O ATOM 1542 CB GLU B 18 -1.208 3.622 14.606 1.00 0.00 C ATOM 1543 CG GLU B 18 -0.839 5.067 14.918 1.00 0.00 C ATOM 1544 CD GLU B 18 0.580 5.237 15.421 1.00 0.00 C ATOM 1545 OE1 GLU B 18 0.950 4.579 16.413 1.00 0.00 O ATOM 1546 OE2 GLU B 18 1.326 6.056 14.841 1.00 0.00 O ATOM 0 H GLU B 18 -2.315 1.427 14.065 1.00 0.00 H new ATOM 0 HA GLU B 18 -3.303 4.031 14.477 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -1.247 3.051 15.534 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.428 3.175 13.989 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -0.971 5.669 14.019 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -1.530 5.456 15.666 1.00 0.00 H new ATOM 1553 N ILE B 19 -1.949 3.388 11.539 1.00 0.00 N ATOM 1554 CA ILE B 19 -1.793 3.892 10.179 1.00 0.00 C ATOM 1555 C ILE B 19 -3.149 4.319 9.620 1.00 0.00 C ATOM 1556 O ILE B 19 -3.272 5.366 8.980 1.00 0.00 O ATOM 1557 CB ILE B 19 -1.158 2.833 9.249 1.00 0.00 C ATOM 1558 CG1 ILE B 19 0.050 2.184 9.927 1.00 0.00 C ATOM 1559 CG2 ILE B 19 -0.731 3.474 7.936 1.00 0.00 C ATOM 1560 CD1 ILE B 19 0.666 1.059 9.125 1.00 0.00 C ATOM 0 H ILE B 19 -1.653 2.420 11.668 1.00 0.00 H new ATOM 0 HA ILE B 19 -1.124 4.752 10.219 1.00 0.00 H new ATOM 0 HB ILE B 19 -1.902 2.064 9.043 1.00 0.00 H new ATOM 0 HG12 ILE B 19 0.807 2.947 10.107 1.00 0.00 H new ATOM 0 HG13 ILE B 19 -0.254 1.800 10.901 1.00 0.00 H new ATOM 0 HG21 ILE B 19 -0.285 2.718 7.290 1.00 0.00 H new ATOM 0 HG22 ILE B 19 -1.601 3.906 7.442 1.00 0.00 H new ATOM 0 HG23 ILE B 19 -0.000 4.258 8.135 1.00 0.00 H new ATOM 0 HD11 ILE B 19 1.517 0.648 9.669 1.00 0.00 H new ATOM 0 HD12 ILE B 19 -0.076 0.276 8.967 1.00 0.00 H new ATOM 0 HD13 ILE B 19 1.002 1.441 8.161 1.00 0.00 H new ATOM 1572 N LEU B 20 -4.167 3.508 9.894 1.00 0.00 N ATOM 1573 CA LEU B 20 -5.533 3.828 9.502 1.00 0.00 C ATOM 1574 C LEU B 20 -6.011 5.073 10.238 1.00 0.00 C ATOM 1575 O LEU B 20 -6.636 5.956 9.649 1.00 0.00 O ATOM 1576 CB LEU B 20 -6.466 2.656 9.813 1.00 0.00 C ATOM 1577 CG LEU B 20 -6.142 1.347 9.089 1.00 0.00 C ATOM 1578 CD1 LEU B 20 -7.015 0.219 9.613 1.00 0.00 C ATOM 1579 CD2 LEU B 20 -6.329 1.506 7.588 1.00 0.00 C ATOM 0 H LEU B 20 -4.069 2.621 10.388 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.549 4.017 8.429 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -6.444 2.472 10.887 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -7.485 2.948 9.560 1.00 0.00 H new ATOM 0 HG LEU B 20 -5.099 1.097 9.283 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -6.771 -0.704 9.087 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -6.837 0.087 10.680 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -8.064 0.464 9.448 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -6.094 0.565 7.090 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -7.363 1.780 7.377 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.664 2.287 7.219 1.00 0.00 H new ATOM 1591 N VAL B 21 -5.705 5.137 11.531 1.00 0.00 N ATOM 1592 CA VAL B 21 -6.061 6.287 12.352 1.00 0.00 C ATOM 1593 C VAL B 21 -5.438 7.566 11.801 1.00 0.00 C ATOM 1594 O VAL B 21 -6.086 8.604 11.761 1.00 0.00 O ATOM 1595 CB VAL B 21 -5.624 6.092 13.822 1.00 0.00 C ATOM 1596 CG1 VAL B 21 -5.835 7.363 14.632 1.00 0.00 C ATOM 1597 CG2 VAL B 21 -6.381 4.936 14.455 1.00 0.00 C ATOM 0 H VAL B 21 -5.209 4.401 12.033 1.00 0.00 H new ATOM 0 HA VAL B 21 -7.147 6.376 12.321 1.00 0.00 H new ATOM 0 HB VAL B 21 -4.559 5.860 13.825 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -5.519 7.195 15.661 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -5.247 8.172 14.199 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -6.891 7.633 14.616 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -6.060 4.814 15.490 1.00 0.00 H new ATOM 0 HG22 VAL B 21 -7.451 5.144 14.429 1.00 0.00 H new ATOM 0 HG23 VAL B 21 -6.176 4.020 13.901 1.00 0.00 H new ATOM 1607 N VAL B 22 -4.185 7.481 11.366 1.00 0.00 N ATOM 1608 CA VAL B 22 -3.487 8.629 10.793 1.00 0.00 C ATOM 1609 C VAL B 22 -4.253 9.205 9.609 1.00 0.00 C ATOM 1610 O VAL B 22 -4.518 10.406 9.557 1.00 0.00 O ATOM 1611 CB VAL B 22 -2.059 8.255 10.358 1.00 0.00 C ATOM 1612 CG1 VAL B 22 -1.401 9.396 9.595 1.00 0.00 C ATOM 1613 CG2 VAL B 22 -1.232 7.881 11.573 1.00 0.00 C ATOM 0 H VAL B 22 -3.629 6.626 11.399 1.00 0.00 H new ATOM 0 HA VAL B 22 -3.425 9.389 11.572 1.00 0.00 H new ATOM 0 HB VAL B 22 -2.116 7.397 9.688 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -0.393 9.103 9.300 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -1.987 9.624 8.705 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -1.351 10.279 10.233 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -0.222 7.617 11.259 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -1.189 8.727 12.259 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.689 7.029 12.076 1.00 0.00 H new ATOM 1623 N LEU B 23 -4.607 8.349 8.662 1.00 0.00 N ATOM 1624 CA LEU B 23 -5.437 8.767 7.537 1.00 0.00 C ATOM 1625 C LEU B 23 -6.766 9.350 8.028 1.00 0.00 C ATOM 1626 O LEU B 23 -7.251 10.352 7.495 1.00 0.00 O ATOM 1627 CB LEU B 23 -5.694 7.584 6.599 1.00 0.00 C ATOM 1628 CG LEU B 23 -4.439 6.966 5.973 1.00 0.00 C ATOM 1629 CD1 LEU B 23 -4.809 5.760 5.125 1.00 0.00 C ATOM 1630 CD2 LEU B 23 -3.696 7.998 5.137 1.00 0.00 C ATOM 0 H LEU B 23 -4.336 7.366 8.648 1.00 0.00 H new ATOM 0 HA LEU B 23 -4.903 9.543 6.989 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -6.224 6.809 7.153 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -6.356 7.913 5.798 1.00 0.00 H new ATOM 0 HG LEU B 23 -3.780 6.635 6.776 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -3.907 5.332 4.687 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -5.299 5.013 5.749 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -5.487 6.069 4.329 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -2.808 7.541 4.700 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -4.347 8.359 4.341 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -3.400 8.834 5.770 1.00 0.00 H new ATOM 1642 N GLU B 24 -7.320 8.740 9.069 1.00 0.00 N ATOM 1643 CA GLU B 24 -8.619 9.132 9.612 1.00 0.00 C ATOM 1644 C GLU B 24 -8.555 10.476 10.353 1.00 0.00 C ATOM 1645 O GLU B 24 -9.550 11.202 10.405 1.00 0.00 O ATOM 1646 CB GLU B 24 -9.138 8.035 10.549 1.00 0.00 C ATOM 1647 CG GLU B 24 -10.576 8.237 11.005 1.00 0.00 C ATOM 1648 CD GLU B 24 -11.080 7.093 11.864 1.00 0.00 C ATOM 1649 OE1 GLU B 24 -11.484 6.053 11.299 1.00 0.00 O ATOM 1650 OE2 GLU B 24 -11.079 7.225 13.106 1.00 0.00 O ATOM 0 H GLU B 24 -6.884 7.960 9.561 1.00 0.00 H new ATOM 0 HA GLU B 24 -9.305 9.258 8.775 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -9.060 7.073 10.043 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -8.493 7.986 11.426 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -10.648 9.168 11.567 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -11.219 8.342 10.131 1.00 0.00 H new ATOM 1657 N LYS B 25 -7.386 10.810 10.915 1.00 0.00 N ATOM 1658 CA LYS B 25 -7.202 12.075 11.642 1.00 0.00 C ATOM 1659 C LYS B 25 -7.605 13.258 10.771 1.00 0.00 C ATOM 1660 O LYS B 25 -8.306 14.165 11.215 1.00 0.00 O ATOM 1661 CB LYS B 25 -5.744 12.269 12.076 1.00 0.00 C ATOM 1662 CG LYS B 25 -5.204 11.192 13.000 1.00 0.00 C ATOM 1663 CD LYS B 25 -3.756 11.473 13.370 1.00 0.00 C ATOM 1664 CE LYS B 25 -3.105 10.294 14.077 1.00 0.00 C ATOM 1665 NZ LYS B 25 -1.677 10.567 14.389 1.00 0.00 N ATOM 0 H LYS B 25 -6.553 10.222 10.881 1.00 0.00 H new ATOM 0 HA LYS B 25 -7.836 12.027 12.527 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -5.117 12.311 11.185 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -5.654 13.234 12.575 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -5.812 11.144 13.903 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -5.277 10.219 12.514 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -3.192 11.710 12.468 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -3.711 12.351 14.014 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -3.645 10.078 14.999 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -3.178 9.406 13.449 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -1.263 9.743 14.871 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -1.158 10.749 13.507 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -1.610 11.400 15.008 1.00 0.00 H new ATOM 1679 N HIS B 26 -7.148 13.236 9.526 1.00 0.00 N ATOM 1680 CA HIS B 26 -7.479 14.292 8.573 1.00 0.00 C ATOM 1681 C HIS B 26 -8.632 13.870 7.679 1.00 0.00 C ATOM 1682 O HIS B 26 -9.107 14.654 6.857 1.00 0.00 O ATOM 1683 CB HIS B 26 -6.262 14.692 7.722 1.00 0.00 C ATOM 1684 CG HIS B 26 -5.348 13.564 7.346 1.00 0.00 C ATOM 1685 ND1 HIS B 26 -5.510 12.804 6.211 1.00 0.00 N ATOM 1686 CD2 HIS B 26 -4.243 13.081 7.965 1.00 0.00 C ATOM 1687 CE1 HIS B 26 -4.547 11.899 6.148 1.00 0.00 C ATOM 1688 NE2 HIS B 26 -3.766 12.047 7.200 1.00 0.00 N ATOM 0 H HIS B 26 -6.548 12.501 9.151 1.00 0.00 H new ATOM 0 HA HIS B 26 -7.784 15.165 9.150 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -6.618 15.170 6.809 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -5.686 15.439 8.269 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -3.817 13.443 8.889 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -4.422 11.164 5.367 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -2.942 11.484 7.411 1.00 0.00 H new ATOM 1697 N LYS B 27 -9.066 12.624 7.847 1.00 0.00 N ATOM 1698 CA LYS B 27 -10.188 12.068 7.095 1.00 0.00 C ATOM 1699 C LYS B 27 -9.992 12.283 5.593 1.00 0.00 C ATOM 1700 O LYS B 27 -10.914 12.671 4.872 1.00 0.00 O ATOM 1701 CB LYS B 27 -11.500 12.700 7.573 1.00 0.00 C ATOM 1702 CG LYS B 27 -12.749 12.006 7.051 1.00 0.00 C ATOM 1703 CD LYS B 27 -14.005 12.719 7.514 1.00 0.00 C ATOM 1704 CE LYS B 27 -13.996 14.177 7.093 1.00 0.00 C ATOM 1705 NZ LYS B 27 -15.173 14.912 7.613 1.00 0.00 N ATOM 0 H LYS B 27 -8.649 11.970 8.509 1.00 0.00 H new ATOM 0 HA LYS B 27 -10.234 10.994 7.273 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -11.520 12.690 8.663 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -11.522 13.745 7.264 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -12.724 11.977 5.962 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -12.766 10.972 7.397 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -14.882 12.223 7.098 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -14.085 12.652 8.599 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -13.084 14.653 7.453 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -13.981 14.240 6.005 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -15.128 15.904 7.303 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -16.044 14.475 7.250 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -15.174 14.874 8.652 1.00 0.00 H new ATOM 1719 N ALA B 28 -8.772 12.045 5.133 1.00 0.00 N ATOM 1720 CA ALA B 28 -8.464 12.155 3.715 1.00 0.00 C ATOM 1721 C ALA B 28 -9.308 11.177 2.908 1.00 0.00 C ATOM 1722 O ALA B 28 -9.477 10.026 3.308 1.00 0.00 O ATOM 1723 CB ALA B 28 -6.985 11.899 3.468 1.00 0.00 C ATOM 0 H ALA B 28 -7.982 11.775 5.719 1.00 0.00 H new ATOM 0 HA ALA B 28 -8.700 13.169 3.392 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -6.774 11.986 2.402 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -6.392 12.632 4.016 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -6.727 10.896 3.809 1.00 0.00 H new ATOM 1729 N PRO B 29 -9.865 11.628 1.774 1.00 0.00 N ATOM 1730 CA PRO B 29 -10.645 10.766 0.887 1.00 0.00 C ATOM 1731 C PRO B 29 -9.820 9.584 0.394 1.00 0.00 C ATOM 1732 O PRO B 29 -8.586 9.614 0.446 1.00 0.00 O ATOM 1733 CB PRO B 29 -11.029 11.682 -0.284 1.00 0.00 C ATOM 1734 CG PRO B 29 -10.107 12.849 -0.188 1.00 0.00 C ATOM 1735 CD PRO B 29 -9.787 13.007 1.270 1.00 0.00 C ATOM 0 HA PRO B 29 -11.511 10.336 1.390 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -10.916 11.169 -1.239 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -12.070 11.996 -0.213 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -9.201 12.679 -0.770 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.576 13.750 -0.584 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -8.797 13.437 1.422 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.500 13.662 1.772 1.00 0.00 H new ATOM 1743 N THR B 30 -10.498 8.554 -0.087 1.00 0.00 N ATOM 1744 CA THR B 30 -9.833 7.342 -0.534 1.00 0.00 C ATOM 1745 C THR B 30 -8.802 7.664 -1.616 1.00 0.00 C ATOM 1746 O THR B 30 -7.734 7.059 -1.663 1.00 0.00 O ATOM 1747 CB THR B 30 -10.857 6.325 -1.066 1.00 0.00 C ATOM 1748 OG1 THR B 30 -12.050 6.393 -0.273 1.00 0.00 O ATOM 1749 CG2 THR B 30 -10.302 4.910 -1.004 1.00 0.00 C ATOM 0 H THR B 30 -11.514 8.534 -0.178 1.00 0.00 H new ATOM 0 HA THR B 30 -9.319 6.903 0.321 1.00 0.00 H new ATOM 0 HB THR B 30 -11.077 6.570 -2.105 1.00 0.00 H new ATOM 0 HG1 THR B 30 -12.705 5.747 -0.611 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.046 4.210 -1.386 1.00 0.00 H new ATOM 0 HG22 THR B 30 -9.399 4.847 -1.611 1.00 0.00 H new ATOM 0 HG23 THR B 30 -10.063 4.658 0.029 1.00 0.00 H new ATOM 1757 N ASP B 31 -9.130 8.644 -2.459 1.00 0.00 N ATOM 1758 CA ASP B 31 -8.210 9.152 -3.479 1.00 0.00 C ATOM 1759 C ASP B 31 -6.859 9.498 -2.870 1.00 0.00 C ATOM 1760 O ASP B 31 -5.831 8.919 -3.222 1.00 0.00 O ATOM 1761 CB ASP B 31 -8.775 10.422 -4.125 1.00 0.00 C ATOM 1762 CG ASP B 31 -9.966 10.174 -5.022 1.00 0.00 C ATOM 1763 OD1 ASP B 31 -10.956 9.566 -4.564 1.00 0.00 O ATOM 1764 OD2 ASP B 31 -9.928 10.608 -6.191 1.00 0.00 O ATOM 0 H ASP B 31 -10.039 9.107 -2.455 1.00 0.00 H new ATOM 0 HA ASP B 31 -8.089 8.367 -4.226 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -9.063 11.120 -3.339 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -7.988 10.903 -4.706 1.00 0.00 H new ATOM 1769 N LEU B 32 -6.885 10.442 -1.941 1.00 0.00 N ATOM 1770 CA LEU B 32 -5.672 10.973 -1.339 1.00 0.00 C ATOM 1771 C LEU B 32 -4.989 9.928 -0.460 1.00 0.00 C ATOM 1772 O LEU B 32 -3.763 9.832 -0.436 1.00 0.00 O ATOM 1773 CB LEU B 32 -6.010 12.222 -0.521 1.00 0.00 C ATOM 1774 CG LEU B 32 -4.814 12.969 0.071 1.00 0.00 C ATOM 1775 CD1 LEU B 32 -3.852 13.403 -1.026 1.00 0.00 C ATOM 1776 CD2 LEU B 32 -5.290 14.174 0.865 1.00 0.00 C ATOM 0 H LEU B 32 -7.744 10.860 -1.585 1.00 0.00 H new ATOM 0 HA LEU B 32 -4.977 11.240 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -6.567 12.911 -1.156 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -6.674 11.932 0.294 1.00 0.00 H new ATOM 0 HG LEU B 32 -4.283 12.293 0.742 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.009 13.932 -0.582 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.489 12.525 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -4.369 14.063 -1.723 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -4.430 14.698 1.282 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -5.842 14.847 0.209 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -5.940 13.843 1.675 1.00 0.00 H new ATOM 1788 N SER B 33 -5.787 9.141 0.249 1.00 0.00 N ATOM 1789 CA SER B 33 -5.253 8.118 1.133 1.00 0.00 C ATOM 1790 C SER B 33 -4.501 7.047 0.341 1.00 0.00 C ATOM 1791 O SER B 33 -3.387 6.668 0.705 1.00 0.00 O ATOM 1792 CB SER B 33 -6.383 7.501 1.958 1.00 0.00 C ATOM 1793 OG SER B 33 -7.014 8.487 2.759 1.00 0.00 O ATOM 0 H SER B 33 -6.805 9.193 0.228 1.00 0.00 H new ATOM 0 HA SER B 33 -4.539 8.582 1.814 1.00 0.00 H new ATOM 0 HB2 SER B 33 -7.115 7.041 1.294 1.00 0.00 H new ATOM 0 HB3 SER B 33 -5.986 6.709 2.593 1.00 0.00 H new ATOM 0 HG SER B 33 -7.629 9.013 2.206 1.00 0.00 H new ATOM 1799 N LEU B 34 -5.094 6.584 -0.759 1.00 0.00 N ATOM 1800 CA LEU B 34 -4.442 5.596 -1.615 1.00 0.00 C ATOM 1801 C LEU B 34 -3.207 6.197 -2.275 1.00 0.00 C ATOM 1802 O LEU B 34 -2.181 5.534 -2.414 1.00 0.00 O ATOM 1803 CB LEU B 34 -5.405 5.085 -2.689 1.00 0.00 C ATOM 1804 CG LEU B 34 -6.587 4.262 -2.174 1.00 0.00 C ATOM 1805 CD1 LEU B 34 -7.550 3.953 -3.307 1.00 0.00 C ATOM 1806 CD2 LEU B 34 -6.107 2.970 -1.530 1.00 0.00 C ATOM 0 H LEU B 34 -6.019 6.875 -1.076 1.00 0.00 H new ATOM 0 HA LEU B 34 -4.140 4.756 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -5.793 5.941 -3.241 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.842 4.477 -3.398 1.00 0.00 H new ATOM 0 HG LEU B 34 -7.107 4.851 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -8.386 3.367 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -7.924 4.885 -3.731 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -7.032 3.385 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -6.965 2.402 -1.171 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.561 2.378 -2.265 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.450 3.203 -0.692 1.00 0.00 H new ATOM 1818 N MET B 35 -3.316 7.462 -2.668 1.00 0.00 N ATOM 1819 CA MET B 35 -2.205 8.174 -3.291 1.00 0.00 C ATOM 1820 C MET B 35 -1.018 8.268 -2.335 1.00 0.00 C ATOM 1821 O MET B 35 0.135 8.068 -2.732 1.00 0.00 O ATOM 1822 CB MET B 35 -2.655 9.576 -3.713 1.00 0.00 C ATOM 1823 CG MET B 35 -1.571 10.387 -4.406 1.00 0.00 C ATOM 1824 SD MET B 35 -2.139 12.027 -4.901 1.00 0.00 S ATOM 1825 CE MET B 35 -3.445 11.609 -6.054 1.00 0.00 C ATOM 0 H MET B 35 -4.166 8.017 -2.566 1.00 0.00 H new ATOM 0 HA MET B 35 -1.889 7.619 -4.174 1.00 0.00 H new ATOM 0 HB2 MET B 35 -3.512 9.487 -4.381 1.00 0.00 H new ATOM 0 HB3 MET B 35 -2.994 10.119 -2.831 1.00 0.00 H new ATOM 0 HG2 MET B 35 -0.716 10.489 -3.738 1.00 0.00 H new ATOM 0 HG3 MET B 35 -1.225 9.846 -5.286 1.00 0.00 H new ATOM 0 HE1 MET B 35 -3.648 12.464 -6.699 1.00 0.00 H new ATOM 0 HE2 MET B 35 -3.134 10.760 -6.664 1.00 0.00 H new ATOM 0 HE3 MET B 35 -4.348 11.348 -5.502 1.00 0.00 H new ATOM 1835 N ALA B 36 -1.305 8.564 -1.074 1.00 0.00 N ATOM 1836 CA ALA B 36 -0.269 8.658 -0.056 1.00 0.00 C ATOM 1837 C ALA B 36 0.358 7.294 0.204 1.00 0.00 C ATOM 1838 O ALA B 36 1.581 7.156 0.219 1.00 0.00 O ATOM 1839 CB ALA B 36 -0.840 9.241 1.229 1.00 0.00 C ATOM 0 H ALA B 36 -2.249 8.743 -0.732 1.00 0.00 H new ATOM 0 HA ALA B 36 0.512 9.325 -0.421 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.053 9.305 1.981 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -1.236 10.237 1.032 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -1.641 8.599 1.596 1.00 0.00 H new ATOM 1845 N LEU B 37 -0.490 6.285 0.385 1.00 0.00 N ATOM 1846 CA LEU B 37 -0.022 4.927 0.646 1.00 0.00 C ATOM 1847 C LEU B 37 0.802 4.391 -0.521 1.00 0.00 C ATOM 1848 O LEU B 37 1.806 3.714 -0.313 1.00 0.00 O ATOM 1849 CB LEU B 37 -1.200 3.989 0.915 1.00 0.00 C ATOM 1850 CG LEU B 37 -2.016 4.305 2.168 1.00 0.00 C ATOM 1851 CD1 LEU B 37 -3.101 3.263 2.364 1.00 0.00 C ATOM 1852 CD2 LEU B 37 -1.119 4.376 3.393 1.00 0.00 C ATOM 0 H LEU B 37 -1.505 6.382 0.356 1.00 0.00 H new ATOM 0 HA LEU B 37 0.613 4.967 1.531 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -1.866 4.013 0.053 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -0.820 2.970 0.996 1.00 0.00 H new ATOM 0 HG LEU B 37 -2.486 5.279 2.035 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -3.675 3.500 3.260 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.764 3.260 1.499 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -2.645 2.279 2.475 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -1.722 4.602 4.273 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -0.618 3.418 3.533 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -0.373 5.159 3.253 1.00 0.00 H new ATOM 1864 N GLY B 38 0.379 4.703 -1.740 1.00 0.00 N ATOM 1865 CA GLY B 38 1.099 4.255 -2.919 1.00 0.00 C ATOM 1866 C GLY B 38 2.541 4.709 -2.918 1.00 0.00 C ATOM 1867 O GLY B 38 3.461 3.898 -3.051 1.00 0.00 O ATOM 0 H GLY B 38 -0.453 5.260 -1.934 1.00 0.00 H new ATOM 0 HA2 GLY B 38 1.063 3.167 -2.972 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.602 4.634 -3.812 1.00 0.00 H new ATOM 1871 N ASN B 39 2.745 6.005 -2.737 1.00 0.00 N ATOM 1872 CA ASN B 39 4.089 6.558 -2.701 1.00 0.00 C ATOM 1873 C ASN B 39 4.834 6.069 -1.465 1.00 0.00 C ATOM 1874 O ASN B 39 6.055 5.947 -1.480 1.00 0.00 O ATOM 1875 CB ASN B 39 4.059 8.088 -2.735 1.00 0.00 C ATOM 1876 CG ASN B 39 3.650 8.640 -4.092 1.00 0.00 C ATOM 1877 OD1 ASN B 39 4.489 8.845 -4.970 1.00 0.00 O ATOM 1878 ND2 ASN B 39 2.361 8.894 -4.272 1.00 0.00 N ATOM 0 H ASN B 39 2.000 6.691 -2.613 1.00 0.00 H new ATOM 0 HA ASN B 39 4.618 6.211 -3.589 1.00 0.00 H new ATOM 0 HB2 ASN B 39 3.365 8.450 -1.977 1.00 0.00 H new ATOM 0 HB3 ASN B 39 5.045 8.472 -2.474 1.00 0.00 H new ATOM 0 HD21 ASN B 39 2.035 9.272 -5.161 1.00 0.00 H new ATOM 0 HD22 ASN B 39 1.695 8.711 -3.521 1.00 0.00 H new ATOM 1885 N CYS B 40 4.089 5.773 -0.405 1.00 0.00 N ATOM 1886 CA CYS B 40 4.670 5.236 0.820 1.00 0.00 C ATOM 1887 C CYS B 40 5.284 3.858 0.563 1.00 0.00 C ATOM 1888 O CYS B 40 6.474 3.645 0.813 1.00 0.00 O ATOM 1889 CB CYS B 40 3.603 5.148 1.916 1.00 0.00 C ATOM 1890 SG CYS B 40 4.199 4.492 3.491 1.00 0.00 S ATOM 0 H CYS B 40 3.077 5.897 -0.370 1.00 0.00 H new ATOM 0 HA CYS B 40 5.461 5.908 1.154 1.00 0.00 H new ATOM 0 HB2 CYS B 40 3.190 6.143 2.084 1.00 0.00 H new ATOM 0 HB3 CYS B 40 2.786 4.520 1.561 1.00 0.00 H new ATOM 0 HG CYS B 40 3.221 4.462 4.347 1.00 0.00 H new ATOM 1896 N VAL B 41 4.472 2.940 0.040 1.00 0.00 N ATOM 1897 CA VAL B 41 4.920 1.580 -0.261 1.00 0.00 C ATOM 1898 C VAL B 41 6.110 1.602 -1.222 1.00 0.00 C ATOM 1899 O VAL B 41 7.107 0.909 -1.014 1.00 0.00 O ATOM 1900 CB VAL B 41 3.776 0.739 -0.877 1.00 0.00 C ATOM 1901 CG1 VAL B 41 4.236 -0.678 -1.190 1.00 0.00 C ATOM 1902 CG2 VAL B 41 2.573 0.708 0.051 1.00 0.00 C ATOM 0 H VAL B 41 3.493 3.115 -0.186 1.00 0.00 H new ATOM 0 HA VAL B 41 5.226 1.121 0.679 1.00 0.00 H new ATOM 0 HB VAL B 41 3.485 1.215 -1.814 1.00 0.00 H new ATOM 0 HG11 VAL B 41 3.409 -1.242 -1.621 1.00 0.00 H new ATOM 0 HG12 VAL B 41 5.062 -0.644 -1.901 1.00 0.00 H new ATOM 0 HG13 VAL B 41 4.567 -1.164 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL B 41 1.780 0.112 -0.401 1.00 0.00 H new ATOM 0 HG22 VAL B 41 2.861 0.266 1.005 1.00 0.00 H new ATOM 0 HG23 VAL B 41 2.214 1.724 0.215 1.00 0.00 H new ATOM 1912 N THR B 42 6.008 2.428 -2.259 1.00 0.00 N ATOM 1913 CA THR B 42 7.058 2.521 -3.264 1.00 0.00 C ATOM 1914 C THR B 42 8.338 3.114 -2.661 1.00 0.00 C ATOM 1915 O THR B 42 9.448 2.703 -3.001 1.00 0.00 O ATOM 1916 CB THR B 42 6.606 3.382 -4.464 1.00 0.00 C ATOM 1917 OG1 THR B 42 5.252 3.069 -4.814 1.00 0.00 O ATOM 1918 CG2 THR B 42 7.491 3.132 -5.675 1.00 0.00 C ATOM 0 H THR B 42 5.210 3.041 -2.424 1.00 0.00 H new ATOM 0 HA THR B 42 7.264 1.510 -3.616 1.00 0.00 H new ATOM 0 HB THR B 42 6.684 4.429 -4.170 1.00 0.00 H new ATOM 0 HG1 THR B 42 4.641 3.609 -4.271 1.00 0.00 H new ATOM 0 HG21 THR B 42 7.152 3.750 -6.507 1.00 0.00 H new ATOM 0 HG22 THR B 42 8.522 3.386 -5.431 1.00 0.00 H new ATOM 0 HG23 THR B 42 7.433 2.081 -5.957 1.00 0.00 H new ATOM 1926 N HIS B 43 8.171 4.061 -1.741 1.00 0.00 N ATOM 1927 CA HIS B 43 9.304 4.736 -1.111 1.00 0.00 C ATOM 1928 C HIS B 43 10.068 3.780 -0.201 1.00 0.00 C ATOM 1929 O HIS B 43 11.284 3.901 -0.041 1.00 0.00 O ATOM 1930 CB HIS B 43 8.816 5.951 -0.313 1.00 0.00 C ATOM 1931 CG HIS B 43 9.914 6.847 0.169 1.00 0.00 C ATOM 1932 ND1 HIS B 43 10.573 7.731 -0.653 1.00 0.00 N ATOM 1933 CD2 HIS B 43 10.459 7.002 1.398 1.00 0.00 C ATOM 1934 CE1 HIS B 43 11.476 8.390 0.047 1.00 0.00 C ATOM 1935 NE2 HIS B 43 11.429 7.968 1.296 1.00 0.00 N ATOM 0 H HIS B 43 7.259 4.379 -1.414 1.00 0.00 H new ATOM 0 HA HIS B 43 9.981 5.075 -1.895 1.00 0.00 H new ATOM 0 HB2 HIS B 43 8.135 6.531 -0.936 1.00 0.00 H new ATOM 0 HB3 HIS B 43 8.243 5.602 0.546 1.00 0.00 H new ATOM 0 HD2 HIS B 43 10.182 6.465 2.293 1.00 0.00 H new ATOM 0 HE1 HIS B 43 12.142 9.148 -0.338 1.00 0.00 H new ATOM 0 HE2 HIS B 43 12.016 8.304 2.059 1.00 0.00 H new ATOM 1944 N LEU B 44 9.348 2.839 0.402 1.00 0.00 N ATOM 1945 CA LEU B 44 9.966 1.824 1.244 1.00 0.00 C ATOM 1946 C LEU B 44 10.846 0.915 0.399 1.00 0.00 C ATOM 1947 O LEU B 44 11.982 0.601 0.773 1.00 0.00 O ATOM 1948 CB LEU B 44 8.898 0.994 1.961 1.00 0.00 C ATOM 1949 CG LEU B 44 8.002 1.775 2.925 1.00 0.00 C ATOM 1950 CD1 LEU B 44 6.917 0.874 3.492 1.00 0.00 C ATOM 1951 CD2 LEU B 44 8.830 2.386 4.046 1.00 0.00 C ATOM 0 H LEU B 44 8.334 2.759 0.322 1.00 0.00 H new ATOM 0 HA LEU B 44 10.579 2.323 1.994 1.00 0.00 H new ATOM 0 HB2 LEU B 44 8.268 0.517 1.211 1.00 0.00 H new ATOM 0 HB3 LEU B 44 9.393 0.197 2.516 1.00 0.00 H new ATOM 0 HG LEU B 44 7.523 2.583 2.372 1.00 0.00 H new ATOM 0 HD11 LEU B 44 6.289 1.446 4.175 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.306 0.484 2.678 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.377 0.045 4.030 1.00 0.00 H new ATOM 0 HD21 LEU B 44 8.177 2.938 4.722 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.337 1.594 4.597 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.571 3.065 3.623 1.00 0.00 H new ATOM 1963 N LEU B 45 10.317 0.519 -0.753 1.00 0.00 N ATOM 1964 CA LEU B 45 11.030 -0.350 -1.677 1.00 0.00 C ATOM 1965 C LEU B 45 12.330 0.286 -2.154 1.00 0.00 C ATOM 1966 O LEU B 45 13.368 -0.369 -2.189 1.00 0.00 O ATOM 1967 CB LEU B 45 10.148 -0.684 -2.884 1.00 0.00 C ATOM 1968 CG LEU B 45 8.950 -1.584 -2.589 1.00 0.00 C ATOM 1969 CD1 LEU B 45 8.080 -1.733 -3.825 1.00 0.00 C ATOM 1970 CD2 LEU B 45 9.422 -2.947 -2.105 1.00 0.00 C ATOM 0 H LEU B 45 9.386 0.791 -1.070 1.00 0.00 H new ATOM 0 HA LEU B 45 11.275 -1.267 -1.141 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.783 0.248 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU B 45 10.766 -1.166 -3.642 1.00 0.00 H new ATOM 0 HG LEU B 45 8.354 -1.122 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU B 45 7.231 -2.377 -3.597 1.00 0.00 H new ATOM 0 HD12 LEU B 45 7.718 -0.753 -4.136 1.00 0.00 H new ATOM 0 HD13 LEU B 45 8.665 -2.176 -4.631 1.00 0.00 H new ATOM 0 HD21 LEU B 45 8.558 -3.579 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU B 45 10.037 -3.413 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU B 45 10.010 -2.826 -1.195 1.00 0.00 H new ATOM 1982 N GLU B 46 12.273 1.566 -2.497 1.00 0.00 N ATOM 1983 CA GLU B 46 13.420 2.251 -3.086 1.00 0.00 C ATOM 1984 C GLU B 46 14.505 2.570 -2.062 1.00 0.00 C ATOM 1985 O GLU B 46 15.531 3.158 -2.406 1.00 0.00 O ATOM 1986 CB GLU B 46 12.986 3.537 -3.786 1.00 0.00 C ATOM 1987 CG GLU B 46 12.036 3.312 -4.950 1.00 0.00 C ATOM 1988 CD GLU B 46 12.376 4.175 -6.144 1.00 0.00 C ATOM 1989 OE1 GLU B 46 12.721 5.359 -5.959 1.00 0.00 O ATOM 1990 OE2 GLU B 46 12.310 3.667 -7.280 1.00 0.00 O ATOM 0 H GLU B 46 11.447 2.152 -2.378 1.00 0.00 H new ATOM 0 HA GLU B 46 13.845 1.562 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU B 46 12.505 4.191 -3.058 1.00 0.00 H new ATOM 0 HB3 GLU B 46 13.872 4.059 -4.148 1.00 0.00 H new ATOM 0 HG2 GLU B 46 12.066 2.263 -5.243 1.00 0.00 H new ATOM 0 HG3 GLU B 46 11.016 3.524 -4.630 1.00 0.00 H new ATOM 1997 N ARG B 47 14.298 2.199 -0.810 1.00 0.00 N ATOM 1998 CA ARG B 47 15.306 2.445 0.207 1.00 0.00 C ATOM 1999 C ARG B 47 16.006 1.154 0.630 1.00 0.00 C ATOM 2000 O ARG B 47 17.225 1.038 0.516 1.00 0.00 O ATOM 2001 CB ARG B 47 14.704 3.147 1.422 1.00 0.00 C ATOM 2002 CG ARG B 47 15.725 3.418 2.515 1.00 0.00 C ATOM 2003 CD ARG B 47 15.175 4.322 3.605 1.00 0.00 C ATOM 2004 NE ARG B 47 14.892 5.674 3.117 1.00 0.00 N ATOM 2005 CZ ARG B 47 15.738 6.701 3.243 1.00 0.00 C ATOM 2006 NH1 ARG B 47 16.982 6.494 3.662 1.00 0.00 N ATOM 2007 NH2 ARG B 47 15.359 7.927 2.905 1.00 0.00 N ATOM 0 H ARG B 47 13.454 1.733 -0.476 1.00 0.00 H new ATOM 0 HA ARG B 47 16.054 3.103 -0.235 1.00 0.00 H new ATOM 0 HB2 ARG B 47 14.258 4.090 1.106 1.00 0.00 H new ATOM 0 HB3 ARG B 47 13.899 2.534 1.828 1.00 0.00 H new ATOM 0 HG2 ARG B 47 16.042 2.473 2.955 1.00 0.00 H new ATOM 0 HG3 ARG B 47 16.610 3.878 2.076 1.00 0.00 H new ATOM 0 HD2 ARG B 47 14.262 3.886 4.009 1.00 0.00 H new ATOM 0 HD3 ARG B 47 15.892 4.377 4.424 1.00 0.00 H new ATOM 0 HE ARG B 47 13.998 5.841 2.655 1.00 0.00 H new ATOM 0 HH11 ARG B 47 17.293 5.549 3.888 1.00 0.00 H new ATOM 0 HH12 ARG B 47 17.625 7.280 3.757 1.00 0.00 H new ATOM 0 HH21 ARG B 47 14.418 8.089 2.547 1.00 0.00 H new ATOM 0 HH22 ARG B 47 16.009 8.707 3.003 1.00 0.00 H new ATOM 2021 N LYS B 48 15.238 0.188 1.109 1.00 0.00 N ATOM 2022 CA LYS B 48 15.818 -1.032 1.663 1.00 0.00 C ATOM 2023 C LYS B 48 16.065 -2.058 0.559 1.00 0.00 C ATOM 2024 O LYS B 48 17.125 -2.679 0.492 1.00 0.00 O ATOM 2025 CB LYS B 48 14.874 -1.602 2.731 1.00 0.00 C ATOM 2026 CG LYS B 48 15.559 -2.362 3.865 1.00 0.00 C ATOM 2027 CD LYS B 48 16.085 -3.722 3.433 1.00 0.00 C ATOM 2028 CE LYS B 48 17.598 -3.723 3.280 1.00 0.00 C ATOM 2029 NZ LYS B 48 18.288 -3.322 4.533 1.00 0.00 N ATOM 0 H LYS B 48 14.219 0.221 1.127 1.00 0.00 H new ATOM 0 HA LYS B 48 16.778 -0.798 2.122 1.00 0.00 H new ATOM 0 HB2 LYS B 48 14.299 -0.781 3.160 1.00 0.00 H new ATOM 0 HB3 LYS B 48 14.163 -2.270 2.245 1.00 0.00 H new ATOM 0 HG2 LYS B 48 16.385 -1.764 4.249 1.00 0.00 H new ATOM 0 HG3 LYS B 48 14.853 -2.495 4.685 1.00 0.00 H new ATOM 0 HD2 LYS B 48 15.794 -4.474 4.167 1.00 0.00 H new ATOM 0 HD3 LYS B 48 15.624 -4.005 2.487 1.00 0.00 H new ATOM 0 HE2 LYS B 48 17.931 -4.718 2.986 1.00 0.00 H new ATOM 0 HE3 LYS B 48 17.881 -3.042 2.477 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 19.200 -3.817 4.601 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 18.451 -2.295 4.526 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 17.696 -3.573 5.351 1.00 0.00 H new ATOM 2043 N VAL B 49 15.091 -2.214 -0.320 1.00 0.00 N ATOM 2044 CA VAL B 49 15.143 -3.254 -1.334 1.00 0.00 C ATOM 2045 C VAL B 49 15.998 -2.809 -2.522 1.00 0.00 C ATOM 2046 O VAL B 49 15.883 -1.674 -2.983 1.00 0.00 O ATOM 2047 CB VAL B 49 13.720 -3.619 -1.817 1.00 0.00 C ATOM 2048 CG1 VAL B 49 13.738 -4.864 -2.686 1.00 0.00 C ATOM 2049 CG2 VAL B 49 12.787 -3.804 -0.629 1.00 0.00 C ATOM 0 H VAL B 49 14.253 -1.633 -0.353 1.00 0.00 H new ATOM 0 HA VAL B 49 15.598 -4.137 -0.886 1.00 0.00 H new ATOM 0 HB VAL B 49 13.347 -2.795 -2.425 1.00 0.00 H new ATOM 0 HG11 VAL B 49 12.724 -5.096 -3.010 1.00 0.00 H new ATOM 0 HG12 VAL B 49 14.367 -4.689 -3.559 1.00 0.00 H new ATOM 0 HG13 VAL B 49 14.136 -5.702 -2.113 1.00 0.00 H new ATOM 0 HG21 VAL B 49 11.790 -4.060 -0.986 1.00 0.00 H new ATOM 0 HG22 VAL B 49 13.162 -4.606 0.007 1.00 0.00 H new ATOM 0 HG23 VAL B 49 12.740 -2.878 -0.056 1.00 0.00 H new ATOM 2059 N PRO B 50 16.899 -3.685 -3.004 1.00 0.00 N ATOM 2060 CA PRO B 50 17.731 -3.407 -4.184 1.00 0.00 C ATOM 2061 C PRO B 50 16.895 -3.075 -5.420 1.00 0.00 C ATOM 2062 O PRO B 50 15.794 -3.597 -5.585 1.00 0.00 O ATOM 2063 CB PRO B 50 18.508 -4.708 -4.393 1.00 0.00 C ATOM 2064 CG PRO B 50 18.507 -5.370 -3.061 1.00 0.00 C ATOM 2065 CD PRO B 50 17.197 -5.007 -2.424 1.00 0.00 C ATOM 0 HA PRO B 50 18.371 -2.537 -4.033 1.00 0.00 H new ATOM 0 HB2 PRO B 50 18.033 -5.336 -5.147 1.00 0.00 H new ATOM 0 HB3 PRO B 50 19.524 -4.511 -4.736 1.00 0.00 H new ATOM 0 HG2 PRO B 50 18.607 -6.451 -3.162 1.00 0.00 H new ATOM 0 HG3 PRO B 50 19.345 -5.028 -2.454 1.00 0.00 H new ATOM 0 HD2 PRO B 50 16.420 -5.734 -2.658 1.00 0.00 H new ATOM 0 HD3 PRO B 50 17.275 -4.962 -1.338 1.00 0.00 H new ATOM 2073 N SER B 51 17.443 -2.222 -6.280 1.00 0.00 N ATOM 2074 CA SER B 51 16.732 -1.658 -7.433 1.00 0.00 C ATOM 2075 C SER B 51 15.930 -2.698 -8.224 1.00 0.00 C ATOM 2076 O SER B 51 14.742 -2.499 -8.496 1.00 0.00 O ATOM 2077 CB SER B 51 17.736 -0.968 -8.352 1.00 0.00 C ATOM 2078 OG SER B 51 18.564 -0.081 -7.618 1.00 0.00 O ATOM 0 H SER B 51 18.406 -1.896 -6.199 1.00 0.00 H new ATOM 0 HA SER B 51 16.007 -0.943 -7.044 1.00 0.00 H new ATOM 0 HB2 SER B 51 18.351 -1.716 -8.853 1.00 0.00 H new ATOM 0 HB3 SER B 51 17.206 -0.418 -9.130 1.00 0.00 H new ATOM 0 HG SER B 51 19.201 0.350 -8.225 1.00 0.00 H new ATOM 2084 N GLU B 52 16.568 -3.805 -8.579 1.00 0.00 N ATOM 2085 CA GLU B 52 15.926 -4.826 -9.400 1.00 0.00 C ATOM 2086 C GLU B 52 15.014 -5.712 -8.558 1.00 0.00 C ATOM 2087 O GLU B 52 14.004 -6.225 -9.044 1.00 0.00 O ATOM 2088 CB GLU B 52 16.972 -5.669 -10.146 1.00 0.00 C ATOM 2089 CG GLU B 52 18.404 -5.495 -9.648 1.00 0.00 C ATOM 2090 CD GLU B 52 18.690 -6.224 -8.346 1.00 0.00 C ATOM 2091 OE1 GLU B 52 18.093 -5.865 -7.309 1.00 0.00 O ATOM 2092 OE2 GLU B 52 19.524 -7.158 -8.358 1.00 0.00 O ATOM 0 H GLU B 52 17.529 -4.020 -8.312 1.00 0.00 H new ATOM 0 HA GLU B 52 15.309 -4.319 -10.142 1.00 0.00 H new ATOM 0 HB2 GLU B 52 16.698 -6.721 -10.062 1.00 0.00 H new ATOM 0 HB3 GLU B 52 16.936 -5.414 -11.205 1.00 0.00 H new ATOM 0 HG2 GLU B 52 19.092 -5.854 -10.414 1.00 0.00 H new ATOM 0 HG3 GLU B 52 18.605 -4.433 -9.511 1.00 0.00 H new ATOM 2099 N SER B 53 15.360 -5.865 -7.294 1.00 0.00 N ATOM 2100 CA SER B 53 14.572 -6.673 -6.380 1.00 0.00 C ATOM 2101 C SER B 53 13.247 -5.974 -6.054 1.00 0.00 C ATOM 2102 O SER B 53 12.228 -6.629 -5.832 1.00 0.00 O ATOM 2103 CB SER B 53 15.375 -6.937 -5.105 1.00 0.00 C ATOM 2104 OG SER B 53 16.674 -7.431 -5.416 1.00 0.00 O ATOM 0 H SER B 53 16.186 -5.438 -6.874 1.00 0.00 H new ATOM 0 HA SER B 53 14.341 -7.627 -6.854 1.00 0.00 H new ATOM 0 HB2 SER B 53 15.460 -6.017 -4.527 1.00 0.00 H new ATOM 0 HB3 SER B 53 14.847 -7.658 -4.481 1.00 0.00 H new ATOM 0 HG SER B 53 17.068 -6.889 -6.131 1.00 0.00 H new ATOM 2110 N ARG B 54 13.271 -4.634 -6.049 1.00 0.00 N ATOM 2111 CA ARG B 54 12.077 -3.824 -5.795 1.00 0.00 C ATOM 2112 C ARG B 54 10.945 -4.222 -6.733 1.00 0.00 C ATOM 2113 O ARG B 54 9.791 -4.340 -6.325 1.00 0.00 O ATOM 2114 CB ARG B 54 12.381 -2.335 -6.004 1.00 0.00 C ATOM 2115 CG ARG B 54 13.499 -1.791 -5.138 1.00 0.00 C ATOM 2116 CD ARG B 54 13.893 -0.385 -5.560 1.00 0.00 C ATOM 2117 NE ARG B 54 15.109 0.068 -4.885 1.00 0.00 N ATOM 2118 CZ ARG B 54 15.832 1.124 -5.262 1.00 0.00 C ATOM 2119 NH1 ARG B 54 15.445 1.872 -6.289 1.00 0.00 N ATOM 2120 NH2 ARG B 54 16.939 1.439 -4.601 1.00 0.00 N ATOM 0 H ARG B 54 14.114 -4.086 -6.220 1.00 0.00 H new ATOM 0 HA ARG B 54 11.776 -3.999 -4.762 1.00 0.00 H new ATOM 0 HB2 ARG B 54 12.639 -2.174 -7.051 1.00 0.00 H new ATOM 0 HB3 ARG B 54 11.475 -1.762 -5.807 1.00 0.00 H new ATOM 0 HG2 ARG B 54 13.183 -1.784 -4.095 1.00 0.00 H new ATOM 0 HG3 ARG B 54 14.366 -2.449 -5.204 1.00 0.00 H new ATOM 0 HD2 ARG B 54 14.046 -0.360 -6.639 1.00 0.00 H new ATOM 0 HD3 ARG B 54 13.077 0.303 -5.338 1.00 0.00 H new ATOM 0 HE ARG B 54 15.426 -0.459 -4.071 1.00 0.00 H new ATOM 0 HH11 ARG B 54 14.590 1.641 -6.795 1.00 0.00 H new ATOM 0 HH12 ARG B 54 16.003 2.678 -6.572 1.00 0.00 H new ATOM 0 HH21 ARG B 54 17.236 0.874 -3.806 1.00 0.00 H new ATOM 0 HH22 ARG B 54 17.492 2.246 -4.888 1.00 0.00 H new ATOM 2134 N GLN B 55 11.302 -4.442 -7.993 1.00 0.00 N ATOM 2135 CA GLN B 55 10.336 -4.753 -9.038 1.00 0.00 C ATOM 2136 C GLN B 55 9.635 -6.077 -8.742 1.00 0.00 C ATOM 2137 O GLN B 55 8.414 -6.188 -8.859 1.00 0.00 O ATOM 2138 CB GLN B 55 11.052 -4.838 -10.385 1.00 0.00 C ATOM 2139 CG GLN B 55 12.050 -3.713 -10.616 1.00 0.00 C ATOM 2140 CD GLN B 55 11.406 -2.378 -10.908 1.00 0.00 C ATOM 2141 OE1 GLN B 55 10.296 -2.308 -11.431 1.00 0.00 O ATOM 2142 NE2 GLN B 55 12.120 -1.308 -10.595 1.00 0.00 N ATOM 0 H GLN B 55 12.268 -4.410 -8.318 1.00 0.00 H new ATOM 0 HA GLN B 55 9.586 -3.963 -9.071 1.00 0.00 H new ATOM 0 HB2 GLN B 55 11.572 -5.793 -10.451 1.00 0.00 H new ATOM 0 HB3 GLN B 55 10.310 -4.824 -11.183 1.00 0.00 H new ATOM 0 HG2 GLN B 55 12.684 -3.615 -9.735 1.00 0.00 H new ATOM 0 HG3 GLN B 55 12.701 -3.982 -11.448 1.00 0.00 H new ATOM 0 HE21 GLN B 55 13.037 -1.416 -10.162 1.00 0.00 H new ATOM 0 HE22 GLN B 55 11.753 -0.376 -10.787 1.00 0.00 H new ATOM 2151 N ALA B 56 10.419 -7.070 -8.338 1.00 0.00 N ATOM 2152 CA ALA B 56 9.887 -8.393 -8.034 1.00 0.00 C ATOM 2153 C ALA B 56 8.978 -8.343 -6.815 1.00 0.00 C ATOM 2154 O ALA B 56 7.917 -8.968 -6.796 1.00 0.00 O ATOM 2155 CB ALA B 56 11.018 -9.387 -7.818 1.00 0.00 C ATOM 0 H ALA B 56 11.428 -6.983 -8.213 1.00 0.00 H new ATOM 0 HA ALA B 56 9.294 -8.726 -8.886 1.00 0.00 H new ATOM 0 HB1 ALA B 56 10.601 -10.369 -7.592 1.00 0.00 H new ATOM 0 HB2 ALA B 56 11.625 -9.449 -8.721 1.00 0.00 H new ATOM 0 HB3 ALA B 56 11.639 -9.056 -6.986 1.00 0.00 H new ATOM 2161 N VAL B 57 9.389 -7.584 -5.804 1.00 0.00 N ATOM 2162 CA VAL B 57 8.582 -7.422 -4.601 1.00 0.00 C ATOM 2163 C VAL B 57 7.260 -6.745 -4.939 1.00 0.00 C ATOM 2164 O VAL B 57 6.211 -7.128 -4.427 1.00 0.00 O ATOM 2165 CB VAL B 57 9.314 -6.606 -3.512 1.00 0.00 C ATOM 2166 CG1 VAL B 57 8.441 -6.446 -2.273 1.00 0.00 C ATOM 2167 CG2 VAL B 57 10.634 -7.263 -3.144 1.00 0.00 C ATOM 0 H VAL B 57 10.272 -7.074 -5.794 1.00 0.00 H new ATOM 0 HA VAL B 57 8.397 -8.420 -4.204 1.00 0.00 H new ATOM 0 HB VAL B 57 9.520 -5.615 -3.918 1.00 0.00 H new ATOM 0 HG11 VAL B 57 8.979 -5.868 -1.521 1.00 0.00 H new ATOM 0 HG12 VAL B 57 7.521 -5.926 -2.541 1.00 0.00 H new ATOM 0 HG13 VAL B 57 8.198 -7.429 -1.870 1.00 0.00 H new ATOM 0 HG21 VAL B 57 11.133 -6.672 -2.376 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.447 -8.268 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL B 57 11.270 -7.321 -4.027 1.00 0.00 H new ATOM 2177 N ALA B 58 7.315 -5.750 -5.819 1.00 0.00 N ATOM 2178 CA ALA B 58 6.116 -5.042 -6.250 1.00 0.00 C ATOM 2179 C ALA B 58 5.169 -5.978 -6.997 1.00 0.00 C ATOM 2180 O ALA B 58 3.955 -5.923 -6.805 1.00 0.00 O ATOM 2181 CB ALA B 58 6.483 -3.850 -7.121 1.00 0.00 C ATOM 0 H ALA B 58 8.178 -5.416 -6.248 1.00 0.00 H new ATOM 0 HA ALA B 58 5.602 -4.676 -5.361 1.00 0.00 H new ATOM 0 HB1 ALA B 58 5.575 -3.334 -7.433 1.00 0.00 H new ATOM 0 HB2 ALA B 58 7.113 -3.165 -6.554 1.00 0.00 H new ATOM 0 HB3 ALA B 58 7.025 -4.196 -8.001 1.00 0.00 H new ATOM 2187 N GLU B 59 5.735 -6.841 -7.835 1.00 0.00 N ATOM 2188 CA GLU B 59 4.956 -7.826 -8.584 1.00 0.00 C ATOM 2189 C GLU B 59 4.208 -8.740 -7.614 1.00 0.00 C ATOM 2190 O GLU B 59 2.996 -8.929 -7.722 1.00 0.00 O ATOM 2191 CB GLU B 59 5.898 -8.644 -9.479 1.00 0.00 C ATOM 2192 CG GLU B 59 5.258 -9.222 -10.739 1.00 0.00 C ATOM 2193 CD GLU B 59 4.323 -10.385 -10.475 1.00 0.00 C ATOM 2194 OE1 GLU B 59 4.814 -11.498 -10.184 1.00 0.00 O ATOM 2195 OE2 GLU B 59 3.093 -10.209 -10.598 1.00 0.00 O ATOM 0 H GLU B 59 6.738 -6.879 -8.014 1.00 0.00 H new ATOM 0 HA GLU B 59 4.225 -7.317 -9.212 1.00 0.00 H new ATOM 0 HB2 GLU B 59 6.735 -8.010 -9.774 1.00 0.00 H new ATOM 0 HB3 GLU B 59 6.311 -9.464 -8.891 1.00 0.00 H new ATOM 0 HG2 GLU B 59 4.705 -8.433 -11.249 1.00 0.00 H new ATOM 0 HG3 GLU B 59 6.046 -9.549 -11.418 1.00 0.00 H new ATOM 2202 N GLN B 60 4.941 -9.278 -6.646 1.00 0.00 N ATOM 2203 CA GLN B 60 4.364 -10.171 -5.648 1.00 0.00 C ATOM 2204 C GLN B 60 3.383 -9.429 -4.743 1.00 0.00 C ATOM 2205 O GLN B 60 2.352 -9.976 -4.350 1.00 0.00 O ATOM 2206 CB GLN B 60 5.471 -10.798 -4.801 1.00 0.00 C ATOM 2207 CG GLN B 60 6.453 -11.640 -5.598 1.00 0.00 C ATOM 2208 CD GLN B 60 5.863 -12.949 -6.088 1.00 0.00 C ATOM 2209 OE1 GLN B 60 4.662 -13.060 -6.340 1.00 0.00 O ATOM 2210 NE2 GLN B 60 6.713 -13.948 -6.232 1.00 0.00 N ATOM 0 H GLN B 60 5.941 -9.110 -6.531 1.00 0.00 H new ATOM 0 HA GLN B 60 3.820 -10.955 -6.175 1.00 0.00 H new ATOM 0 HB2 GLN B 60 6.018 -10.005 -4.291 1.00 0.00 H new ATOM 0 HB3 GLN B 60 5.017 -11.420 -4.029 1.00 0.00 H new ATOM 0 HG2 GLN B 60 6.803 -11.064 -6.455 1.00 0.00 H new ATOM 0 HG3 GLN B 60 7.325 -11.852 -4.979 1.00 0.00 H new ATOM 0 HE21 GLN B 60 7.700 -13.814 -6.012 1.00 0.00 H new ATOM 0 HE22 GLN B 60 6.383 -14.855 -6.563 1.00 0.00 H new ATOM 2219 N PHE B 61 3.713 -8.186 -4.412 1.00 0.00 N ATOM 2220 CA PHE B 61 2.858 -7.359 -3.567 1.00 0.00 C ATOM 2221 C PHE B 61 1.528 -7.088 -4.258 1.00 0.00 C ATOM 2222 O PHE B 61 0.467 -7.251 -3.660 1.00 0.00 O ATOM 2223 CB PHE B 61 3.553 -6.035 -3.231 1.00 0.00 C ATOM 2224 CG PHE B 61 2.771 -5.164 -2.290 1.00 0.00 C ATOM 2225 CD1 PHE B 61 2.771 -5.424 -0.930 1.00 0.00 C ATOM 2226 CD2 PHE B 61 2.030 -4.094 -2.764 1.00 0.00 C ATOM 2227 CE1 PHE B 61 2.051 -4.631 -0.061 1.00 0.00 C ATOM 2228 CE2 PHE B 61 1.308 -3.296 -1.899 1.00 0.00 C ATOM 2229 CZ PHE B 61 1.315 -3.567 -0.546 1.00 0.00 C ATOM 0 H PHE B 61 4.571 -7.726 -4.717 1.00 0.00 H new ATOM 0 HA PHE B 61 2.669 -7.900 -2.640 1.00 0.00 H new ATOM 0 HB2 PHE B 61 4.527 -6.248 -2.790 1.00 0.00 H new ATOM 0 HB3 PHE B 61 3.734 -5.485 -4.155 1.00 0.00 H new ATOM 0 HD1 PHE B 61 3.341 -6.257 -0.545 1.00 0.00 H new ATOM 0 HD2 PHE B 61 2.017 -3.881 -3.823 1.00 0.00 H new ATOM 0 HE1 PHE B 61 2.063 -4.842 0.998 1.00 0.00 H new ATOM 0 HE2 PHE B 61 0.739 -2.461 -2.281 1.00 0.00 H new ATOM 0 HZ PHE B 61 0.746 -2.949 0.133 1.00 0.00 H new ATOM 2239 N ALA B 62 1.599 -6.685 -5.521 1.00 0.00 N ATOM 2240 CA ALA B 62 0.410 -6.428 -6.322 1.00 0.00 C ATOM 2241 C ALA B 62 -0.448 -7.684 -6.416 1.00 0.00 C ATOM 2242 O ALA B 62 -1.678 -7.630 -6.330 1.00 0.00 O ATOM 2243 CB ALA B 62 0.818 -5.963 -7.710 1.00 0.00 C ATOM 0 H ALA B 62 2.477 -6.528 -6.016 1.00 0.00 H new ATOM 0 HA ALA B 62 -0.178 -5.645 -5.843 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -0.074 -5.772 -8.306 1.00 0.00 H new ATOM 0 HB2 ALA B 62 1.404 -5.047 -7.629 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.417 -6.736 -8.191 1.00 0.00 H new ATOM 2249 N LYS B 63 0.230 -8.809 -6.577 1.00 0.00 N ATOM 2250 CA LYS B 63 -0.411 -10.111 -6.659 1.00 0.00 C ATOM 2251 C LYS B 63 -1.156 -10.425 -5.365 1.00 0.00 C ATOM 2252 O LYS B 63 -2.340 -10.755 -5.385 1.00 0.00 O ATOM 2253 CB LYS B 63 0.662 -11.162 -6.927 1.00 0.00 C ATOM 2254 CG LYS B 63 0.144 -12.545 -7.283 1.00 0.00 C ATOM 2255 CD LYS B 63 1.306 -13.451 -7.651 1.00 0.00 C ATOM 2256 CE LYS B 63 2.143 -12.827 -8.755 1.00 0.00 C ATOM 2257 NZ LYS B 63 3.502 -13.414 -8.828 1.00 0.00 N ATOM 0 H LYS B 63 1.246 -8.844 -6.655 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.140 -10.112 -7.469 1.00 0.00 H new ATOM 0 HB2 LYS B 63 1.297 -10.810 -7.740 1.00 0.00 H new ATOM 0 HB3 LYS B 63 1.294 -11.246 -6.043 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -0.404 -12.966 -6.440 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -0.555 -12.478 -8.117 1.00 0.00 H new ATOM 0 HD2 LYS B 63 1.927 -13.629 -6.773 1.00 0.00 H new ATOM 0 HD3 LYS B 63 0.929 -14.420 -7.977 1.00 0.00 H new ATOM 0 HE2 LYS B 63 1.639 -12.963 -9.712 1.00 0.00 H new ATOM 0 HE3 LYS B 63 2.222 -11.753 -8.586 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 4.090 -12.849 -9.474 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 3.931 -13.415 -7.881 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 3.440 -14.390 -9.181 1.00 0.00 H new ATOM 2271 N ALA B 64 -0.455 -10.297 -4.242 1.00 0.00 N ATOM 2272 CA ALA B 64 -1.038 -10.564 -2.931 1.00 0.00 C ATOM 2273 C ALA B 64 -2.176 -9.595 -2.629 1.00 0.00 C ATOM 2274 O ALA B 64 -3.197 -9.981 -2.054 1.00 0.00 O ATOM 2275 CB ALA B 64 0.031 -10.468 -1.852 1.00 0.00 C ATOM 0 H ALA B 64 0.523 -10.008 -4.214 1.00 0.00 H new ATOM 0 HA ALA B 64 -1.446 -11.575 -2.941 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -0.416 -10.669 -0.878 1.00 0.00 H new ATOM 0 HB2 ALA B 64 0.814 -11.200 -2.050 1.00 0.00 H new ATOM 0 HB3 ALA B 64 0.461 -9.466 -1.854 1.00 0.00 H new ATOM 2281 N LEU B 65 -1.990 -8.343 -3.029 1.00 0.00 N ATOM 2282 CA LEU B 65 -2.980 -7.297 -2.806 1.00 0.00 C ATOM 2283 C LEU B 65 -4.300 -7.667 -3.475 1.00 0.00 C ATOM 2284 O LEU B 65 -5.333 -7.791 -2.816 1.00 0.00 O ATOM 2285 CB LEU B 65 -2.464 -5.970 -3.372 1.00 0.00 C ATOM 2286 CG LEU B 65 -3.048 -4.703 -2.745 1.00 0.00 C ATOM 2287 CD1 LEU B 65 -2.556 -4.550 -1.316 1.00 0.00 C ATOM 2288 CD2 LEU B 65 -2.672 -3.480 -3.568 1.00 0.00 C ATOM 0 H LEU B 65 -1.152 -8.025 -3.515 1.00 0.00 H new ATOM 0 HA LEU B 65 -3.148 -7.192 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -1.381 -5.944 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.669 -5.950 -4.442 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.134 -4.790 -2.733 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -2.979 -3.644 -0.881 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -2.868 -5.414 -0.729 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -1.468 -4.481 -1.311 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -3.096 -2.587 -3.108 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -1.587 -3.388 -3.607 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.064 -3.588 -4.579 1.00 0.00 H new ATOM 2300 N ALA B 66 -4.244 -7.883 -4.787 1.00 0.00 N ATOM 2301 CA ALA B 66 -5.434 -8.205 -5.567 1.00 0.00 C ATOM 2302 C ALA B 66 -6.012 -9.557 -5.161 1.00 0.00 C ATOM 2303 O ALA B 66 -7.230 -9.753 -5.169 1.00 0.00 O ATOM 2304 CB ALA B 66 -5.115 -8.200 -7.056 1.00 0.00 C ATOM 0 H ALA B 66 -3.383 -7.840 -5.333 1.00 0.00 H new ATOM 0 HA ALA B 66 -6.182 -7.439 -5.362 1.00 0.00 H new ATOM 0 HB1 ALA B 66 -6.015 -8.442 -7.622 1.00 0.00 H new ATOM 0 HB2 ALA B 66 -4.758 -7.213 -7.348 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -4.344 -8.942 -7.265 1.00 0.00 H new ATOM 2310 N GLN B 67 -5.134 -10.489 -4.804 1.00 0.00 N ATOM 2311 CA GLN B 67 -5.556 -11.819 -4.376 1.00 0.00 C ATOM 2312 C GLN B 67 -6.393 -11.719 -3.102 1.00 0.00 C ATOM 2313 O GLN B 67 -7.404 -12.408 -2.955 1.00 0.00 O ATOM 2314 CB GLN B 67 -4.330 -12.724 -4.163 1.00 0.00 C ATOM 2315 CG GLN B 67 -4.647 -14.215 -4.112 1.00 0.00 C ATOM 2316 CD GLN B 67 -5.158 -14.679 -2.761 1.00 0.00 C ATOM 2317 OE1 GLN B 67 -4.651 -14.079 -1.693 1.00 0.00 O flip ATOM 2318 NE2 GLN B 67 -5.981 -15.587 -2.677 1.00 0.00 N flip ATOM 0 H GLN B 67 -4.124 -10.348 -4.803 1.00 0.00 H new ATOM 0 HA GLN B 67 -6.174 -12.265 -5.156 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -3.617 -12.544 -4.968 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -3.840 -12.437 -3.233 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -5.393 -14.446 -4.873 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -3.749 -14.778 -4.365 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -6.347 -16.023 -3.523 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -6.298 -15.905 -1.761 1.00 0.00 H new ATOM 2327 N SER B 68 -5.980 -10.842 -2.195 1.00 0.00 N ATOM 2328 CA SER B 68 -6.711 -10.627 -0.954 1.00 0.00 C ATOM 2329 C SER B 68 -8.070 -9.987 -1.235 1.00 0.00 C ATOM 2330 O SER B 68 -9.057 -10.274 -0.557 1.00 0.00 O ATOM 2331 CB SER B 68 -5.894 -9.748 -0.005 1.00 0.00 C ATOM 2332 OG SER B 68 -4.626 -10.332 0.258 1.00 0.00 O ATOM 0 H SER B 68 -5.143 -10.269 -2.296 1.00 0.00 H new ATOM 0 HA SER B 68 -6.879 -11.594 -0.479 1.00 0.00 H new ATOM 0 HB2 SER B 68 -5.760 -8.759 -0.443 1.00 0.00 H new ATOM 0 HB3 SER B 68 -6.437 -9.612 0.930 1.00 0.00 H new ATOM 0 HG SER B 68 -4.039 -10.203 -0.516 1.00 0.00 H new ATOM 2338 N VAL B 69 -8.116 -9.137 -2.255 1.00 0.00 N ATOM 2339 CA VAL B 69 -9.352 -8.472 -2.643 1.00 0.00 C ATOM 2340 C VAL B 69 -10.378 -9.478 -3.159 1.00 0.00 C ATOM 2341 O VAL B 69 -11.519 -9.502 -2.696 1.00 0.00 O ATOM 2342 CB VAL B 69 -9.101 -7.397 -3.723 1.00 0.00 C ATOM 2343 CG1 VAL B 69 -10.411 -6.775 -4.189 1.00 0.00 C ATOM 2344 CG2 VAL B 69 -8.161 -6.322 -3.197 1.00 0.00 C ATOM 0 H VAL B 69 -7.309 -8.893 -2.829 1.00 0.00 H new ATOM 0 HA VAL B 69 -9.745 -7.986 -1.750 1.00 0.00 H new ATOM 0 HB VAL B 69 -8.632 -7.882 -4.579 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -10.206 -6.021 -4.949 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -11.052 -7.550 -4.610 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -10.914 -6.308 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -7.995 -5.573 -3.971 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -8.605 -5.847 -2.322 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -7.209 -6.775 -2.921 1.00 0.00 H new ATOM 2354 N LYS B 70 -9.963 -10.323 -4.100 1.00 0.00 N ATOM 2355 CA LYS B 70 -10.878 -11.283 -4.708 1.00 0.00 C ATOM 2356 C LYS B 70 -11.281 -12.368 -3.712 1.00 0.00 C ATOM 2357 O LYS B 70 -12.325 -12.997 -3.860 1.00 0.00 O ATOM 2358 CB LYS B 70 -10.275 -11.891 -5.991 1.00 0.00 C ATOM 2359 CG LYS B 70 -9.034 -12.757 -5.792 1.00 0.00 C ATOM 2360 CD LYS B 70 -9.394 -14.202 -5.475 1.00 0.00 C ATOM 2361 CE LYS B 70 -8.174 -15.110 -5.525 1.00 0.00 C ATOM 2362 NZ LYS B 70 -8.526 -16.530 -5.248 1.00 0.00 N ATOM 0 H LYS B 70 -9.008 -10.362 -4.455 1.00 0.00 H new ATOM 0 HA LYS B 70 -11.783 -10.747 -4.993 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -11.041 -12.493 -6.481 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -10.023 -11.079 -6.673 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -8.421 -12.725 -6.693 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -8.431 -12.347 -4.982 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -9.847 -14.255 -4.485 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -10.140 -14.556 -6.186 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -7.707 -15.037 -6.507 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -7.438 -14.770 -4.796 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -7.667 -17.115 -5.292 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -8.948 -16.605 -4.300 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -9.209 -16.863 -5.958 1.00 0.00 H new ATOM 2376 N SER B 71 -10.465 -12.566 -2.682 1.00 0.00 N ATOM 2377 CA SER B 71 -10.786 -13.529 -1.638 1.00 0.00 C ATOM 2378 C SER B 71 -11.981 -13.052 -0.813 1.00 0.00 C ATOM 2379 O SER B 71 -12.767 -13.858 -0.313 1.00 0.00 O ATOM 2380 CB SER B 71 -9.573 -13.770 -0.738 1.00 0.00 C ATOM 2381 OG SER B 71 -8.505 -14.344 -1.475 1.00 0.00 O ATOM 0 H SER B 71 -9.581 -12.075 -2.549 1.00 0.00 H new ATOM 0 HA SER B 71 -11.054 -14.472 -2.114 1.00 0.00 H new ATOM 0 HB2 SER B 71 -9.250 -12.828 -0.295 1.00 0.00 H new ATOM 0 HB3 SER B 71 -9.850 -14.430 0.084 1.00 0.00 H new ATOM 0 HG SER B 71 -7.929 -13.632 -1.825 1.00 0.00 H new ATOM 2387 N ASN B 72 -12.124 -11.738 -0.694 1.00 0.00 N ATOM 2388 CA ASN B 72 -13.270 -11.154 0.001 1.00 0.00 C ATOM 2389 C ASN B 72 -14.465 -11.067 -0.941 1.00 0.00 C ATOM 2390 O ASN B 72 -15.571 -10.711 -0.532 1.00 0.00 O ATOM 2391 CB ASN B 72 -12.936 -9.762 0.550 1.00 0.00 C ATOM 2392 CG ASN B 72 -12.080 -9.800 1.803 1.00 0.00 C ATOM 2393 OD1 ASN B 72 -11.253 -10.697 1.994 1.00 0.00 O ATOM 2394 ND2 ASN B 72 -12.279 -8.821 2.671 1.00 0.00 N ATOM 0 H ASN B 72 -11.464 -11.056 -1.068 1.00 0.00 H new ATOM 0 HA ASN B 72 -13.519 -11.801 0.842 1.00 0.00 H new ATOM 0 HB2 ASN B 72 -12.416 -9.191 -0.219 1.00 0.00 H new ATOM 0 HB3 ASN B 72 -13.864 -9.233 0.768 1.00 0.00 H new ATOM 0 HD21 ASN B 72 -11.739 -8.789 3.536 1.00 0.00 H new ATOM 0 HD22 ASN B 72 -12.972 -8.099 2.475 1.00 0.00 H new ATOM 2401 N LEU B 73 -14.232 -11.382 -2.207 1.00 0.00 N ATOM 2402 CA LEU B 73 -15.283 -11.370 -3.213 1.00 0.00 C ATOM 2403 C LEU B 73 -15.779 -12.782 -3.483 1.00 0.00 C ATOM 2404 O LEU B 73 -16.694 -12.991 -4.281 1.00 0.00 O ATOM 2405 CB LEU B 73 -14.782 -10.726 -4.509 1.00 0.00 C ATOM 2406 CG LEU B 73 -14.339 -9.268 -4.387 1.00 0.00 C ATOM 2407 CD1 LEU B 73 -13.819 -8.759 -5.722 1.00 0.00 C ATOM 2408 CD2 LEU B 73 -15.487 -8.399 -3.896 1.00 0.00 C ATOM 0 H LEU B 73 -13.315 -11.651 -2.564 1.00 0.00 H new ATOM 0 HA LEU B 73 -16.114 -10.777 -2.831 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -13.944 -11.312 -4.886 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -15.575 -10.786 -5.255 1.00 0.00 H new ATOM 0 HG LEU B 73 -13.531 -9.213 -3.657 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -13.508 -7.720 -5.619 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -12.968 -9.363 -6.035 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -14.608 -8.829 -6.470 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -15.152 -7.365 -3.816 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -16.316 -8.458 -4.602 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -15.817 -8.750 -2.918 1.00 0.00 H new ATOM 2420 N GLU B 74 -15.175 -13.749 -2.801 1.00 0.00 N ATOM 2421 CA GLU B 74 -15.529 -15.151 -2.970 1.00 0.00 C ATOM 2422 C GLU B 74 -16.884 -15.471 -2.346 1.00 0.00 C ATOM 2423 O GLU B 74 -16.971 -15.940 -1.210 1.00 0.00 O ATOM 2424 CB GLU B 74 -14.447 -16.056 -2.376 1.00 0.00 C ATOM 2425 CG GLU B 74 -13.264 -16.274 -3.303 1.00 0.00 C ATOM 2426 CD GLU B 74 -13.659 -17.024 -4.559 1.00 0.00 C ATOM 2427 OE1 GLU B 74 -14.332 -18.070 -4.438 1.00 0.00 O ATOM 2428 OE2 GLU B 74 -13.292 -16.585 -5.667 1.00 0.00 O ATOM 0 H GLU B 74 -14.433 -13.584 -2.121 1.00 0.00 H new ATOM 0 HA GLU B 74 -15.602 -15.341 -4.041 1.00 0.00 H new ATOM 0 HB2 GLU B 74 -14.092 -15.620 -1.443 1.00 0.00 H new ATOM 0 HB3 GLU B 74 -14.888 -17.022 -2.129 1.00 0.00 H new ATOM 0 HG2 GLU B 74 -12.835 -15.310 -3.576 1.00 0.00 H new ATOM 0 HG3 GLU B 74 -12.489 -16.831 -2.777 1.00 0.00 H new ATOM 2435 N HIS B 75 -17.938 -15.175 -3.089 1.00 0.00 N ATOM 2436 CA HIS B 75 -19.293 -15.525 -2.689 1.00 0.00 C ATOM 2437 C HIS B 75 -20.150 -15.830 -3.910 1.00 0.00 C ATOM 2438 O HIS B 75 -20.839 -14.957 -4.436 1.00 0.00 O ATOM 2439 CB HIS B 75 -19.941 -14.433 -1.816 1.00 0.00 C ATOM 2440 CG HIS B 75 -19.612 -13.018 -2.205 1.00 0.00 C ATOM 2441 ND1 HIS B 75 -20.224 -12.350 -3.241 1.00 0.00 N ATOM 2442 CD2 HIS B 75 -18.739 -12.138 -1.661 1.00 0.00 C ATOM 2443 CE1 HIS B 75 -19.746 -11.122 -3.315 1.00 0.00 C ATOM 2444 NE2 HIS B 75 -18.842 -10.962 -2.364 1.00 0.00 N ATOM 0 H HIS B 75 -17.880 -14.687 -3.983 1.00 0.00 H new ATOM 0 HA HIS B 75 -19.230 -16.424 -2.076 1.00 0.00 H new ATOM 0 HB2 HIS B 75 -21.023 -14.559 -1.850 1.00 0.00 H new ATOM 0 HB3 HIS B 75 -19.634 -14.588 -0.782 1.00 0.00 H new ATOM 0 HD1 HIS B 75 -20.936 -12.743 -3.856 1.00 0.00 H new ATOM 0 HD2 HIS B 75 -18.081 -12.326 -0.826 1.00 0.00 H new ATOM 0 HE1 HIS B 75 -20.044 -10.372 -4.033 1.00 0.00 H new ATOM 2453 N HIS B 76 -20.066 -17.081 -4.355 1.00 0.00 N ATOM 2454 CA HIS B 76 -20.804 -17.571 -5.521 1.00 0.00 C ATOM 2455 C HIS B 76 -20.341 -18.988 -5.835 1.00 0.00 C ATOM 2456 O HIS B 76 -21.059 -19.770 -6.454 1.00 0.00 O ATOM 2457 CB HIS B 76 -20.596 -16.679 -6.753 1.00 0.00 C ATOM 2458 CG HIS B 76 -21.736 -16.736 -7.732 1.00 0.00 C ATOM 2459 ND1 HIS B 76 -21.869 -15.852 -8.778 1.00 0.00 N ATOM 2460 CD2 HIS B 76 -22.812 -17.558 -7.801 1.00 0.00 C ATOM 2461 CE1 HIS B 76 -22.976 -16.122 -9.445 1.00 0.00 C ATOM 2462 NE2 HIS B 76 -23.570 -17.155 -8.874 1.00 0.00 N ATOM 0 H HIS B 76 -19.480 -17.790 -3.915 1.00 0.00 H new ATOM 0 HA HIS B 76 -21.867 -17.555 -5.282 1.00 0.00 H new ATOM 0 HB2 HIS B 76 -20.458 -15.648 -6.427 1.00 0.00 H new ATOM 0 HB3 HIS B 76 -19.678 -16.979 -7.258 1.00 0.00 H new ATOM 0 HD2 HIS B 76 -23.033 -18.379 -7.135 1.00 0.00 H new ATOM 0 HE1 HIS B 76 -23.336 -15.588 -10.312 1.00 0.00 H new ATOM 0 HE2 HIS B 76 -24.445 -17.582 -9.179 1.00 0.00 H new ATOM 2471 N HIS B 77 -19.120 -19.300 -5.412 1.00 0.00 N ATOM 2472 CA HIS B 77 -18.600 -20.657 -5.510 1.00 0.00 C ATOM 2473 C HIS B 77 -19.206 -21.511 -4.404 1.00 0.00 C ATOM 2474 O HIS B 77 -20.057 -21.040 -3.646 1.00 0.00 O ATOM 2475 CB HIS B 77 -17.066 -20.666 -5.405 1.00 0.00 C ATOM 2476 CG HIS B 77 -16.363 -20.107 -6.607 1.00 0.00 C ATOM 2477 ND1 HIS B 77 -15.379 -19.146 -6.530 1.00 0.00 N ATOM 2478 CD2 HIS B 77 -16.488 -20.402 -7.922 1.00 0.00 C ATOM 2479 CE1 HIS B 77 -14.936 -18.873 -7.742 1.00 0.00 C ATOM 2480 NE2 HIS B 77 -15.590 -19.624 -8.608 1.00 0.00 N ATOM 0 H HIS B 77 -18.472 -18.630 -4.998 1.00 0.00 H new ATOM 0 HA HIS B 77 -18.874 -21.069 -6.481 1.00 0.00 H new ATOM 0 HB2 HIS B 77 -16.770 -20.093 -4.526 1.00 0.00 H new ATOM 0 HB3 HIS B 77 -16.730 -21.691 -5.246 1.00 0.00 H new ATOM 0 HD1 HIS B 77 -15.045 -18.713 -5.669 1.00 0.00 H new ATOM 0 HD2 HIS B 77 -17.171 -21.119 -8.353 1.00 0.00 H new ATOM 0 HE1 HIS B 77 -14.167 -18.155 -7.985 1.00 0.00 H new ATOM 2489 N HIS B 78 -18.773 -22.757 -4.296 1.00 0.00 N ATOM 2490 CA HIS B 78 -19.279 -23.646 -3.250 1.00 0.00 C ATOM 2491 C HIS B 78 -18.613 -23.351 -1.901 1.00 0.00 C ATOM 2492 O HIS B 78 -18.084 -24.249 -1.247 1.00 0.00 O ATOM 2493 CB HIS B 78 -19.111 -25.126 -3.641 1.00 0.00 C ATOM 2494 CG HIS B 78 -17.728 -25.514 -4.079 1.00 0.00 C ATOM 2495 ND1 HIS B 78 -16.745 -25.920 -3.203 1.00 0.00 N ATOM 2496 CD2 HIS B 78 -17.174 -25.568 -5.312 1.00 0.00 C ATOM 2497 CE1 HIS B 78 -15.647 -26.204 -3.878 1.00 0.00 C ATOM 2498 NE2 HIS B 78 -15.883 -25.999 -5.159 1.00 0.00 N ATOM 0 H HIS B 78 -18.078 -23.178 -4.912 1.00 0.00 H new ATOM 0 HA HIS B 78 -20.346 -23.453 -3.143 1.00 0.00 H new ATOM 0 HB2 HIS B 78 -19.393 -25.745 -2.790 1.00 0.00 H new ATOM 0 HB3 HIS B 78 -19.809 -25.355 -4.447 1.00 0.00 H new ATOM 0 HD1 HIS B 78 -16.850 -25.990 -2.191 1.00 0.00 H new ATOM 0 HD2 HIS B 78 -17.659 -25.318 -6.244 1.00 0.00 H new ATOM 0 HE1 HIS B 78 -14.715 -26.546 -3.454 1.00 0.00 H new ATOM 2507 N HIS B 79 -18.673 -22.070 -1.506 1.00 0.00 N ATOM 2508 CA HIS B 79 -18.149 -21.559 -0.224 1.00 0.00 C ATOM 2509 C HIS B 79 -16.764 -22.105 0.135 1.00 0.00 C ATOM 2510 O HIS B 79 -16.447 -22.277 1.311 1.00 0.00 O ATOM 2511 CB HIS B 79 -19.147 -21.786 0.930 1.00 0.00 C ATOM 2512 CG HIS B 79 -19.582 -23.206 1.150 1.00 0.00 C ATOM 2513 ND1 HIS B 79 -20.834 -23.664 0.806 1.00 0.00 N ATOM 2514 CD2 HIS B 79 -18.936 -24.263 1.696 1.00 0.00 C ATOM 2515 CE1 HIS B 79 -20.940 -24.937 1.128 1.00 0.00 C ATOM 2516 NE2 HIS B 79 -19.802 -25.327 1.669 1.00 0.00 N ATOM 0 H HIS B 79 -19.097 -21.341 -2.081 1.00 0.00 H new ATOM 0 HA HIS B 79 -18.026 -20.486 -0.368 1.00 0.00 H new ATOM 0 HB2 HIS B 79 -18.697 -21.417 1.852 1.00 0.00 H new ATOM 0 HB3 HIS B 79 -20.033 -21.180 0.743 1.00 0.00 H new ATOM 0 HD2 HIS B 79 -17.927 -24.268 2.081 1.00 0.00 H new ATOM 0 HE1 HIS B 79 -21.811 -25.557 0.975 1.00 0.00 H new ATOM 0 HE2 HIS B 79 -19.599 -26.266 2.011 1.00 0.00 H new ATOM 2525 N HIS B 80 -15.941 -22.345 -0.880 1.00 0.00 N ATOM 2526 CA HIS B 80 -14.562 -22.765 -0.679 1.00 0.00 C ATOM 2527 C HIS B 80 -13.855 -22.846 -2.021 1.00 0.00 C ATOM 2528 O HIS B 80 -14.166 -23.774 -2.794 1.00 0.00 O ATOM 2529 CB HIS B 80 -14.479 -24.120 0.034 1.00 0.00 C ATOM 2530 CG HIS B 80 -13.095 -24.463 0.495 1.00 0.00 C ATOM 2531 ND1 HIS B 80 -12.641 -24.200 1.769 1.00 0.00 N ATOM 2532 CD2 HIS B 80 -12.061 -25.045 -0.157 1.00 0.00 C ATOM 2533 CE1 HIS B 80 -11.391 -24.604 1.882 1.00 0.00 C ATOM 2534 NE2 HIS B 80 -11.014 -25.120 0.728 1.00 0.00 N ATOM 2535 OXT HIS B 80 -12.993 -21.990 -2.289 1.00 0.00 O ATOM 0 H HIS B 80 -16.210 -22.254 -1.860 1.00 0.00 H new ATOM 0 HA HIS B 80 -14.074 -22.025 -0.044 1.00 0.00 H new ATOM 0 HB2 HIS B 80 -15.149 -24.112 0.893 1.00 0.00 H new ATOM 0 HB3 HIS B 80 -14.834 -24.900 -0.640 1.00 0.00 H new ATOM 0 HD2 HIS B 80 -12.060 -25.386 -1.182 1.00 0.00 H new ATOM 0 HE1 HIS B 80 -10.780 -24.526 2.769 1.00 0.00 H new ATOM 0 HE2 HIS B 80 -10.094 -25.511 0.526 1.00 0.00 H new TER 2544 HIS B 80