USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 660 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 LYS NZ :NH3+ -150:sc= -0.549! (180deg=-4.1!) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= 0.783 F(o=-11!,f=0.23) USER MOD Set 2.1: A 3 CYS SG : rot -100:sc= -12.4! USER MOD Set 2.2: A 16 CYS SG : rot 120:sc= -5.46! USER MOD Set 2.3: A 23 CYS SG : rot -87:sc= -12.3! USER MOD Set 2.4: A 44 CYS SG : rot -73:sc= -12.8! USER MOD Set 2.5: A 60 CYS SG : rot -40:sc= -20.9! USER MOD Set 2.6: A 62 THR OG1 : rot 54:sc= -1.68! USER MOD Set 2.7: A 65 CYS SG : rot 18:sc= -26.8! USER MOD Set 2.8: A 66 ASN : amide:sc= -11.1! C(o=-1e+02!,f=-1.1e+02!) USER MOD Set 3.1: A 48 CYS SG : rot -50:sc= 0.101! USER MOD Set 3.2: A 59 CYS SG : rot 130:sc= -9.41! USER MOD Set 4.1: A 29 CYS SG : rot -126:sc= -4.41! USER MOD Set 4.2: A 33 CYS SG : rot -56:sc= 1.59! USER MOD Set 5.1: A 5 THR OG1 : rot -26:sc= 1.22! USER MOD Set 5.2: A 8 THR OG1 : rot 76:sc= -1.3 USER MOD Set 5.3: A 9 SER OG : rot 180:sc= 0.0525 USER MOD Single : A 1 ILE N :NH3+ -121:sc= -0.198 (180deg=-0.519) USER MOD Single : A 4 HIS :FLIP no HD1:sc= -12! C(o=-14!,f=-12!) USER MOD Single : A 6 THR OG1 : rot -76:sc= -2.81 USER MOD Single : A 12 SER OG : rot 180:sc= -0.64 USER MOD Single : A 15 THR OG1 : rot -120:sc= -0.166 USER MOD Single : A 21 ASN :FLIP amide:sc= -1.83 F(o=-5.2!,f=-1.8) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 137:sc= -1.28 (180deg=-1.85!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 48:sc= 1.15 USER MOD Single : A 51 LYS NZ :NH3+ 170:sc= -1.04 (180deg=-1.48) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 75:sc=-0.00194 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= -37.1! C(o=-37!,f=-44!) USER MOD Single : B 1 HIS :FLIP no HD1:sc= -1.24 F(o=-1.8!,f=-1.2) USER MOD Single : B 1 HIS N :NH3+ 167:sc= -13.8! (180deg=-15.5!) USER MOD Single : B 3 TYR OH : rot 126:sc= 0.201 USER MOD Single : B 4 TYR OH : rot -119:sc= -0.485 USER MOD Single : B 6 SER OG : rot -22:sc= 0.709 USER MOD Single : B 7 SER OG : rot 63:sc= -6.87! USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -5.955 6.448 12.438 1.00 0.00 N ATOM 2 CA ILE A 1 -6.539 6.598 11.116 1.00 0.00 C ATOM 3 C ILE A 1 -6.838 5.216 10.534 1.00 0.00 C ATOM 4 O ILE A 1 -6.783 4.213 11.246 1.00 0.00 O ATOM 5 CB ILE A 1 -5.638 7.458 10.226 1.00 0.00 C ATOM 6 CG1 ILE A 1 -4.268 6.802 10.039 1.00 0.00 C ATOM 7 CG2 ILE A 1 -5.522 8.881 10.775 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.516 7.432 8.864 1.00 0.00 C ATOM 0 H1 ILE A 1 -6.550 6.936 13.138 1.00 0.00 H new ATOM 0 H2 ILE A 1 -5.896 5.438 12.679 1.00 0.00 H new ATOM 0 H3 ILE A 1 -5.001 6.862 12.445 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.488 7.130 11.178 1.00 0.00 H new ATOM 0 HB ILE A 1 -6.099 7.530 9.241 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.681 6.910 10.951 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -4.393 5.733 9.865 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.876 9.471 10.124 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.511 9.337 10.815 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.096 8.851 11.778 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.546 6.949 8.752 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.094 7.301 7.950 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.372 8.496 9.053 1.00 0.00 H new ATOM 20 N VAL A 2 -7.148 5.205 9.245 1.00 0.00 N ATOM 21 CA VAL A 2 -7.457 3.961 8.561 1.00 0.00 C ATOM 22 C VAL A 2 -6.570 3.834 7.321 1.00 0.00 C ATOM 23 O VAL A 2 -6.105 4.835 6.780 1.00 0.00 O ATOM 24 CB VAL A 2 -8.951 3.899 8.236 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.384 2.466 7.917 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.785 4.483 9.378 1.00 0.00 C ATOM 0 H VAL A 2 -7.192 6.037 8.657 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.243 3.107 9.204 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.126 4.507 7.348 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.450 2.450 7.690 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.824 2.100 7.057 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.187 1.826 8.777 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.843 4.427 9.122 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.602 3.915 10.290 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.505 5.524 9.537 1.00 0.00 H new ATOM 36 N CYS A 3 -6.361 2.591 6.909 1.00 0.00 N ATOM 37 CA CYS A 3 -5.537 2.319 5.743 1.00 0.00 C ATOM 38 C CYS A 3 -6.129 1.117 5.005 1.00 0.00 C ATOM 39 O CYS A 3 -6.744 0.249 5.622 1.00 0.00 O ATOM 40 CB CYS A 3 -4.073 2.090 6.125 1.00 0.00 C ATOM 41 SG CYS A 3 -3.653 3.074 7.611 1.00 0.00 S ATOM 0 H CYS A 3 -6.748 1.763 7.361 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.540 3.186 5.083 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.900 1.031 6.319 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.424 2.372 5.296 1.00 0.00 H new ATOM 0 HG CYS A 3 -3.027 4.155 7.253 1.00 0.00 H new ATOM 47 N HIS A 4 -5.923 1.105 3.696 1.00 0.00 N ATOM 48 CA HIS A 4 -6.429 0.024 2.869 1.00 0.00 C ATOM 49 C HIS A 4 -5.425 -1.129 2.861 1.00 0.00 C ATOM 50 O HIS A 4 -4.217 -0.906 2.914 1.00 0.00 O ATOM 51 CB HIS A 4 -6.765 0.527 1.463 1.00 0.00 C ATOM 52 CG HIS A 4 -7.431 1.883 1.439 1.00 0.00 C ATOM 53 ND1 HIS A 4 -7.011 3.072 0.917 1.00 0.00 N flip ATOM 54 CD2 HIS A 4 -8.673 2.121 2.001 1.00 0.00 C flip ATOM 55 CE1 HIS A 4 -7.947 3.985 1.145 1.00 0.00 C flip ATOM 56 NE2 HIS A 4 -8.978 3.396 1.818 1.00 0.00 N flip ATOM 0 H HIS A 4 -5.412 1.827 3.188 1.00 0.00 H new ATOM 0 HA HIS A 4 -7.361 -0.354 3.289 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.848 0.574 0.876 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.419 -0.196 0.976 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -9.289 1.390 2.504 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -7.901 5.022 0.847 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -9.834 3.858 2.126 1.00 0.00 H new ATOM 65 N THR A 5 -5.962 -2.339 2.794 1.00 0.00 N ATOM 66 CA THR A 5 -5.128 -3.528 2.778 1.00 0.00 C ATOM 67 C THR A 5 -5.206 -4.217 1.414 1.00 0.00 C ATOM 68 O THR A 5 -6.265 -4.706 1.022 1.00 0.00 O ATOM 69 CB THR A 5 -5.562 -4.426 3.938 1.00 0.00 C ATOM 70 OG1 THR A 5 -6.586 -5.245 3.379 1.00 0.00 O ATOM 71 CG2 THR A 5 -6.274 -3.647 5.046 1.00 0.00 C ATOM 0 H THR A 5 -6.965 -2.521 2.750 1.00 0.00 H new ATOM 0 HA THR A 5 -4.077 -3.275 2.919 1.00 0.00 H new ATOM 0 HB THR A 5 -4.689 -4.932 4.351 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.011 -4.773 2.633 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.561 -4.331 5.845 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.603 -2.885 5.444 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.165 -3.169 4.640 1.00 0.00 H new ATOM 79 N THR A 6 -4.072 -4.234 0.729 1.00 0.00 N ATOM 80 CA THR A 6 -4.000 -4.854 -0.583 1.00 0.00 C ATOM 81 C THR A 6 -3.304 -6.213 -0.491 1.00 0.00 C ATOM 82 O THR A 6 -3.417 -7.036 -1.401 1.00 0.00 O ATOM 83 CB THR A 6 -3.301 -3.877 -1.530 1.00 0.00 C ATOM 84 OG1 THR A 6 -2.871 -2.817 -0.681 1.00 0.00 O ATOM 85 CG2 THR A 6 -4.274 -3.204 -2.501 1.00 0.00 C ATOM 0 H THR A 6 -3.196 -3.828 1.058 1.00 0.00 H new ATOM 0 HA THR A 6 -4.994 -5.058 -0.980 1.00 0.00 H new ATOM 0 HB THR A 6 -2.533 -4.406 -2.094 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.638 -2.253 -0.447 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.726 -2.521 -3.150 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.767 -3.964 -3.107 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.023 -2.647 -1.938 1.00 0.00 H new ATOM 93 N ALA A 7 -2.600 -6.410 0.614 1.00 0.00 N ATOM 94 CA ALA A 7 -1.887 -7.656 0.835 1.00 0.00 C ATOM 95 C ALA A 7 -2.843 -8.686 1.438 1.00 0.00 C ATOM 96 O ALA A 7 -2.925 -9.818 0.961 1.00 0.00 O ATOM 97 CB ALA A 7 -0.671 -7.396 1.726 1.00 0.00 C ATOM 0 H ALA A 7 -2.508 -5.727 1.366 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.520 -8.061 -0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.135 -8.331 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.009 -6.680 1.238 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.001 -6.992 2.683 1.00 0.00 H new ATOM 103 N THR A 8 -3.542 -8.259 2.480 1.00 0.00 N ATOM 104 CA THR A 8 -4.489 -9.131 3.153 1.00 0.00 C ATOM 105 C THR A 8 -5.752 -9.303 2.306 1.00 0.00 C ATOM 106 O THR A 8 -5.746 -10.037 1.319 1.00 0.00 O ATOM 107 CB THR A 8 -4.763 -8.549 4.542 1.00 0.00 C ATOM 108 OG1 THR A 8 -4.634 -7.141 4.360 1.00 0.00 O ATOM 109 CG2 THR A 8 -3.666 -8.895 5.550 1.00 0.00 C ATOM 0 H THR A 8 -3.471 -7.321 2.874 1.00 0.00 H new ATOM 0 HA THR A 8 -4.082 -10.134 3.279 1.00 0.00 H new ATOM 0 HB THR A 8 -5.721 -8.919 4.907 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.431 -6.795 3.906 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.910 -8.458 6.518 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.592 -9.978 5.649 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.713 -8.496 5.202 1.00 0.00 H new ATOM 117 N SER A 9 -6.804 -8.615 2.725 1.00 0.00 N ATOM 118 CA SER A 9 -8.070 -8.683 2.017 1.00 0.00 C ATOM 119 C SER A 9 -7.913 -8.113 0.606 1.00 0.00 C ATOM 120 O SER A 9 -6.798 -8.007 0.097 1.00 0.00 O ATOM 121 CB SER A 9 -9.165 -7.928 2.774 1.00 0.00 C ATOM 122 OG SER A 9 -8.885 -7.837 4.168 1.00 0.00 O ATOM 0 H SER A 9 -6.805 -8.008 3.545 1.00 0.00 H new ATOM 0 HA SER A 9 -8.367 -9.730 1.948 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.267 -6.925 2.359 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.120 -8.433 2.628 1.00 0.00 H new ATOM 0 HG SER A 9 -9.606 -7.347 4.615 1.00 0.00 H new ATOM 128 N PRO A 10 -9.075 -7.754 -0.003 1.00 0.00 N ATOM 129 CA PRO A 10 -9.077 -7.198 -1.344 1.00 0.00 C ATOM 130 C PRO A 10 -8.592 -5.747 -1.338 1.00 0.00 C ATOM 131 O PRO A 10 -7.654 -5.399 -2.055 1.00 0.00 O ATOM 132 CB PRO A 10 -10.511 -7.342 -1.828 1.00 0.00 C ATOM 133 CG PRO A 10 -11.354 -7.543 -0.580 1.00 0.00 C ATOM 134 CD PRO A 10 -10.414 -7.867 0.571 1.00 0.00 C ATOM 0 HA PRO A 10 -8.390 -7.715 -2.014 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.829 -6.455 -2.376 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.611 -8.189 -2.507 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.931 -6.645 -0.360 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.069 -8.352 -0.728 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.549 -7.173 1.401 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.595 -8.869 0.961 1.00 0.00 H new ATOM 142 N ILE A 11 -9.251 -4.940 -0.521 1.00 0.00 N ATOM 143 CA ILE A 11 -8.898 -3.535 -0.411 1.00 0.00 C ATOM 144 C ILE A 11 -10.017 -2.787 0.316 1.00 0.00 C ATOM 145 O ILE A 11 -11.059 -2.501 -0.270 1.00 0.00 O ATOM 146 CB ILE A 11 -8.568 -2.956 -1.789 1.00 0.00 C ATOM 147 CG1 ILE A 11 -7.072 -2.661 -1.915 1.00 0.00 C ATOM 148 CG2 ILE A 11 -9.424 -1.723 -2.086 1.00 0.00 C ATOM 149 CD1 ILE A 11 -6.735 -2.120 -3.307 1.00 0.00 C ATOM 0 H ILE A 11 -10.028 -5.232 0.072 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.994 -3.416 0.186 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.813 -3.705 -2.542 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.776 -1.936 -1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.501 -3.570 -1.726 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.169 -1.332 -3.071 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.478 -1.999 -2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.235 -0.959 -1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.666 -1.919 -3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.010 -2.858 -4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.289 -1.198 -3.483 1.00 0.00 H new ATOM 161 N SER A 12 -9.763 -2.494 1.583 1.00 0.00 N ATOM 162 CA SER A 12 -10.736 -1.786 2.397 1.00 0.00 C ATOM 163 C SER A 12 -10.024 -1.009 3.507 1.00 0.00 C ATOM 164 O SER A 12 -9.083 -1.513 4.116 1.00 0.00 O ATOM 165 CB SER A 12 -11.758 -2.753 2.999 1.00 0.00 C ATOM 166 OG SER A 12 -11.204 -3.524 4.062 1.00 0.00 O ATOM 0 H SER A 12 -8.897 -2.734 2.066 1.00 0.00 H new ATOM 0 HA SER A 12 -11.272 -1.085 1.757 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.615 -2.190 3.368 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.127 -3.421 2.221 1.00 0.00 H new ATOM 0 HG SER A 12 -11.889 -4.127 4.420 1.00 0.00 H new ATOM 172 N ALA A 13 -10.501 0.205 3.734 1.00 0.00 N ATOM 173 CA ALA A 13 -9.922 1.057 4.759 1.00 0.00 C ATOM 174 C ALA A 13 -10.405 0.593 6.134 1.00 0.00 C ATOM 175 O ALA A 13 -11.525 0.901 6.541 1.00 0.00 O ATOM 176 CB ALA A 13 -10.287 2.516 4.476 1.00 0.00 C ATOM 0 H ALA A 13 -11.282 0.620 3.226 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.834 0.984 4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.853 3.155 5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.897 2.806 3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.371 2.627 4.481 1.00 0.00 H new ATOM 182 N VAL A 14 -9.535 -0.141 6.814 1.00 0.00 N ATOM 183 CA VAL A 14 -9.860 -0.652 8.136 1.00 0.00 C ATOM 184 C VAL A 14 -8.732 -0.292 9.106 1.00 0.00 C ATOM 185 O VAL A 14 -7.565 -0.579 8.843 1.00 0.00 O ATOM 186 CB VAL A 14 -10.129 -2.157 8.064 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.708 -2.544 6.702 1.00 0.00 C ATOM 188 CG2 VAL A 14 -8.861 -2.956 8.369 1.00 0.00 C ATOM 0 H VAL A 14 -8.607 -0.394 6.475 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.773 -0.190 8.511 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.869 -2.403 8.825 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.890 -3.618 6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.646 -2.013 6.541 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.001 -2.277 5.917 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.080 -4.022 8.311 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.089 -2.704 7.642 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.509 -2.712 9.371 1.00 0.00 H new ATOM 198 N THR A 15 -9.121 0.333 10.208 1.00 0.00 N ATOM 199 CA THR A 15 -8.157 0.735 11.219 1.00 0.00 C ATOM 200 C THR A 15 -7.218 -0.425 11.552 1.00 0.00 C ATOM 201 O THR A 15 -7.642 -1.578 11.602 1.00 0.00 O ATOM 202 CB THR A 15 -8.934 1.256 12.431 1.00 0.00 C ATOM 203 OG1 THR A 15 -9.918 2.120 11.868 1.00 0.00 O ATOM 204 CG2 THR A 15 -8.090 2.177 13.315 1.00 0.00 C ATOM 0 H THR A 15 -10.089 0.571 10.423 1.00 0.00 H new ATOM 0 HA THR A 15 -7.514 1.537 10.857 1.00 0.00 H new ATOM 0 HB THR A 15 -9.292 0.413 13.022 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.800 3.026 12.223 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.688 2.519 14.160 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.221 1.632 13.683 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.759 3.037 12.733 1.00 0.00 H new ATOM 212 N CYS A 16 -5.957 -0.079 11.773 1.00 0.00 N ATOM 213 CA CYS A 16 -4.953 -1.078 12.098 1.00 0.00 C ATOM 214 C CYS A 16 -4.789 -1.113 13.618 1.00 0.00 C ATOM 215 O CYS A 16 -5.435 -0.350 14.335 1.00 0.00 O ATOM 216 CB CYS A 16 -3.628 -0.800 11.387 1.00 0.00 C ATOM 217 SG CYS A 16 -3.212 -2.190 10.273 1.00 0.00 S ATOM 0 H CYS A 16 -5.609 0.879 11.733 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.280 -2.056 11.745 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.700 0.126 10.816 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.834 -0.661 12.121 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.130 -1.756 9.050 1.00 0.00 H new ATOM 223 N PRO A 17 -3.898 -2.032 14.079 1.00 0.00 N ATOM 224 CA PRO A 17 -3.640 -2.178 15.501 1.00 0.00 C ATOM 225 C PRO A 17 -2.776 -1.028 16.022 1.00 0.00 C ATOM 226 O PRO A 17 -2.497 -0.077 15.294 1.00 0.00 O ATOM 227 CB PRO A 17 -2.970 -3.535 15.643 1.00 0.00 C ATOM 228 CG PRO A 17 -2.458 -3.894 14.257 1.00 0.00 C ATOM 229 CD PRO A 17 -3.114 -2.953 13.259 1.00 0.00 C ATOM 0 HA PRO A 17 -4.550 -2.133 16.100 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.152 -3.494 16.363 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.676 -4.283 16.005 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.373 -3.799 14.215 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.697 -4.930 14.018 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.369 -2.421 12.668 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.748 -3.497 12.559 1.00 0.00 H new ATOM 237 N PRO A 18 -2.367 -1.156 17.313 1.00 0.00 N ATOM 238 CA PRO A 18 -1.541 -0.139 17.940 1.00 0.00 C ATOM 239 C PRO A 18 -0.097 -0.219 17.438 1.00 0.00 C ATOM 240 O PRO A 18 0.597 -1.203 17.688 1.00 0.00 O ATOM 241 CB PRO A 18 -1.665 -0.396 19.433 1.00 0.00 C ATOM 242 CG PRO A 18 -2.176 -1.821 19.569 1.00 0.00 C ATOM 243 CD PRO A 18 -2.679 -2.268 18.206 1.00 0.00 C ATOM 0 HA PRO A 18 -1.863 0.873 17.695 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.703 -0.277 19.931 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.353 0.312 19.895 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.381 -2.480 19.917 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.977 -1.871 20.307 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.186 -3.185 17.883 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.750 -2.471 18.226 1.00 0.00 H new ATOM 251 N GLY A 19 0.312 0.831 16.741 1.00 0.00 N ATOM 252 CA GLY A 19 1.659 0.892 16.201 1.00 0.00 C ATOM 253 C GLY A 19 1.713 1.784 14.959 1.00 0.00 C ATOM 254 O GLY A 19 2.484 2.741 14.911 1.00 0.00 O ATOM 0 H GLY A 19 -0.266 1.646 16.538 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.341 1.277 16.959 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.998 -0.112 15.947 1.00 0.00 H new ATOM 258 N GLU A 20 0.884 1.438 13.985 1.00 0.00 N ATOM 259 CA GLU A 20 0.828 2.195 12.747 1.00 0.00 C ATOM 260 C GLU A 20 0.262 3.593 13.004 1.00 0.00 C ATOM 261 O GLU A 20 -0.946 3.756 13.173 1.00 0.00 O ATOM 262 CB GLU A 20 0.005 1.456 11.689 1.00 0.00 C ATOM 263 CG GLU A 20 0.603 0.080 11.393 1.00 0.00 C ATOM 264 CD GLU A 20 -0.033 -0.997 12.275 1.00 0.00 C ATOM 265 OE1 GLU A 20 -0.413 -2.065 11.773 1.00 0.00 O ATOM 266 OE2 GLU A 20 -0.122 -0.693 13.525 1.00 0.00 O ATOM 0 H GLU A 20 0.246 0.643 14.029 1.00 0.00 H new ATOM 0 HA GLU A 20 1.843 2.300 12.363 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.022 1.343 12.035 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.030 2.046 10.773 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.450 -0.168 10.343 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.680 0.104 11.562 1.00 0.00 H new ATOM 274 N ASN A 21 1.161 4.565 13.026 1.00 0.00 N ATOM 275 CA ASN A 21 0.766 5.944 13.260 1.00 0.00 C ATOM 276 C ASN A 21 0.299 6.567 11.944 1.00 0.00 C ATOM 277 O ASN A 21 0.014 7.762 11.884 1.00 0.00 O ATOM 278 CB ASN A 21 1.941 6.772 13.784 1.00 0.00 C ATOM 279 CG ASN A 21 2.696 6.019 14.881 1.00 0.00 C ATOM 280 OD1 ASN A 21 1.987 5.057 15.463 1.00 0.00 O flip ATOM 281 ND2 ASN A 21 3.848 6.293 15.177 1.00 0.00 N flip ATOM 0 H ASN A 21 2.162 4.426 12.886 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.034 5.944 14.000 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.620 7.005 12.964 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.576 7.722 14.175 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.335 7.045 14.689 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.324 5.770 15.912 1.00 0.00 H new ATOM 288 N LEU A 22 0.234 5.729 10.919 1.00 0.00 N ATOM 289 CA LEU A 22 -0.193 6.183 9.606 1.00 0.00 C ATOM 290 C LEU A 22 -0.330 4.978 8.674 1.00 0.00 C ATOM 291 O LEU A 22 -0.244 3.833 9.117 1.00 0.00 O ATOM 292 CB LEU A 22 0.752 7.264 9.079 1.00 0.00 C ATOM 293 CG LEU A 22 2.163 6.800 8.709 1.00 0.00 C ATOM 294 CD1 LEU A 22 2.431 6.994 7.216 1.00 0.00 C ATOM 295 CD2 LEU A 22 3.214 7.496 9.576 1.00 0.00 C ATOM 0 H LEU A 22 0.470 4.738 10.971 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.175 6.653 9.666 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.298 7.718 8.198 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.834 8.046 9.834 1.00 0.00 H new ATOM 0 HG LEU A 22 2.235 5.731 8.912 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.440 6.656 6.981 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.711 6.414 6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.333 8.050 6.963 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.208 7.148 9.293 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.151 8.574 9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.033 7.262 10.625 1.00 0.00 H new ATOM 307 N CYS A 23 -0.540 5.276 7.401 1.00 0.00 N ATOM 308 CA CYS A 23 -0.689 4.231 6.403 1.00 0.00 C ATOM 309 C CYS A 23 0.615 4.133 5.607 1.00 0.00 C ATOM 310 O CYS A 23 1.619 4.740 5.980 1.00 0.00 O ATOM 311 CB CYS A 23 -1.893 4.484 5.493 1.00 0.00 C ATOM 312 SG CYS A 23 -3.217 5.331 6.431 1.00 0.00 S ATOM 0 H CYS A 23 -0.611 6.226 7.037 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.883 3.280 6.899 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.593 5.093 4.640 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.264 3.539 5.096 1.00 0.00 H new ATOM 0 HG CYS A 23 -3.969 4.446 7.015 1.00 0.00 H new ATOM 318 N TYR A 24 0.558 3.367 4.529 1.00 0.00 N ATOM 319 CA TYR A 24 1.723 3.183 3.680 1.00 0.00 C ATOM 320 C TYR A 24 1.340 2.505 2.363 1.00 0.00 C ATOM 321 O TYR A 24 0.230 1.991 2.225 1.00 0.00 O ATOM 322 CB TYR A 24 2.671 2.267 4.455 1.00 0.00 C ATOM 323 CG TYR A 24 2.278 0.790 4.416 1.00 0.00 C ATOM 324 CD1 TYR A 24 1.440 0.271 5.382 1.00 0.00 C ATOM 325 CD2 TYR A 24 2.762 -0.027 3.412 1.00 0.00 C ATOM 326 CE1 TYR A 24 1.072 -1.121 5.344 1.00 0.00 C ATOM 327 CE2 TYR A 24 2.394 -1.417 3.375 1.00 0.00 C ATOM 328 CZ TYR A 24 1.566 -1.896 4.341 1.00 0.00 C ATOM 329 OH TYR A 24 1.217 -3.210 4.306 1.00 0.00 O ATOM 0 H TYR A 24 -0.276 2.866 4.223 1.00 0.00 H new ATOM 0 HA TYR A 24 2.177 4.144 3.438 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.677 2.376 4.050 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.709 2.595 5.494 1.00 0.00 H new ATOM 0 HD1 TYR A 24 1.060 0.909 6.167 1.00 0.00 H new ATOM 0 HD2 TYR A 24 3.417 0.378 2.655 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.419 -1.540 6.095 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.767 -2.066 2.597 1.00 0.00 H new ATOM 0 HH TYR A 24 1.642 -3.641 3.535 1.00 0.00 H new ATOM 339 N ARG A 25 2.278 2.523 1.429 1.00 0.00 N ATOM 340 CA ARG A 25 2.053 1.916 0.129 1.00 0.00 C ATOM 341 C ARG A 25 3.284 1.119 -0.306 1.00 0.00 C ATOM 342 O ARG A 25 4.249 1.689 -0.815 1.00 0.00 O ATOM 343 CB ARG A 25 1.742 2.977 -0.929 1.00 0.00 C ATOM 344 CG ARG A 25 0.941 4.133 -0.326 1.00 0.00 C ATOM 345 CD ARG A 25 1.061 5.392 -1.187 1.00 0.00 C ATOM 346 NE ARG A 25 -0.281 5.844 -1.616 1.00 0.00 N ATOM 347 CZ ARG A 25 -0.518 6.556 -2.737 1.00 0.00 C ATOM 348 NH1 ARG A 25 0.498 6.905 -3.555 1.00 0.00 N ATOM 349 NH2 ARG A 25 -1.757 6.907 -3.024 1.00 0.00 N ATOM 0 H ARG A 25 3.197 2.949 1.547 1.00 0.00 H new ATOM 0 HA ARG A 25 1.197 1.248 0.220 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.672 3.356 -1.353 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.179 2.527 -1.746 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.107 3.847 -0.238 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.300 4.342 0.682 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.556 6.182 -0.623 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.681 5.187 -2.060 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.078 5.602 -1.027 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.454 6.630 -3.327 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.310 7.443 -4.401 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.520 6.640 -2.402 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.952 7.445 -3.868 1.00 0.00 H new ATOM 363 N LYS A 26 3.213 -0.185 -0.090 1.00 0.00 N ATOM 364 CA LYS A 26 4.310 -1.067 -0.452 1.00 0.00 C ATOM 365 C LYS A 26 4.221 -1.399 -1.943 1.00 0.00 C ATOM 366 O LYS A 26 3.145 -1.324 -2.536 1.00 0.00 O ATOM 367 CB LYS A 26 4.328 -2.299 0.453 1.00 0.00 C ATOM 368 CG LYS A 26 5.617 -2.355 1.278 1.00 0.00 C ATOM 369 CD LYS A 26 5.557 -3.483 2.311 1.00 0.00 C ATOM 370 CE LYS A 26 5.277 -2.930 3.710 1.00 0.00 C ATOM 371 NZ LYS A 26 6.191 -3.540 4.701 1.00 0.00 N ATOM 0 H LYS A 26 2.411 -0.654 0.332 1.00 0.00 H new ATOM 0 HA LYS A 26 5.267 -0.570 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.466 -2.278 1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.240 -3.201 -0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.470 -2.507 0.617 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.772 -1.402 1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.778 -4.194 2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.500 -4.029 2.314 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.401 -1.847 3.711 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.243 -3.133 3.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.987 -3.154 5.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.053 -4.571 4.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.175 -3.325 4.444 1.00 0.00 H new ATOM 385 N MET A 27 5.365 -1.759 -2.506 1.00 0.00 N ATOM 386 CA MET A 27 5.429 -2.103 -3.916 1.00 0.00 C ATOM 387 C MET A 27 6.532 -3.129 -4.180 1.00 0.00 C ATOM 388 O MET A 27 7.527 -3.176 -3.459 1.00 0.00 O ATOM 389 CB MET A 27 5.699 -0.841 -4.738 1.00 0.00 C ATOM 390 CG MET A 27 4.454 -0.420 -5.521 1.00 0.00 C ATOM 391 SD MET A 27 4.507 1.334 -5.859 1.00 0.00 S ATOM 392 CE MET A 27 2.809 1.611 -6.332 1.00 0.00 C ATOM 0 H MET A 27 6.255 -1.820 -2.011 1.00 0.00 H new ATOM 0 HA MET A 27 4.474 -2.540 -4.208 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.008 -0.031 -4.077 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.523 -1.022 -5.428 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.397 -0.977 -6.456 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.557 -0.662 -4.951 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.448 2.530 -5.870 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.743 1.700 -7.416 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.197 0.772 -5.999 1.00 0.00 H new ATOM 402 N TRP A 28 6.319 -3.925 -5.217 1.00 0.00 N ATOM 403 CA TRP A 28 7.282 -4.949 -5.587 1.00 0.00 C ATOM 404 C TRP A 28 6.905 -5.476 -6.973 1.00 0.00 C ATOM 405 O TRP A 28 7.199 -4.840 -7.984 1.00 0.00 O ATOM 406 CB TRP A 28 7.346 -6.049 -4.525 1.00 0.00 C ATOM 407 CG TRP A 28 6.026 -6.279 -3.788 1.00 0.00 C ATOM 408 CD1 TRP A 28 4.867 -6.728 -4.291 1.00 0.00 C ATOM 409 CD2 TRP A 28 5.774 -6.056 -2.385 1.00 0.00 C ATOM 410 NE1 TRP A 28 3.891 -6.808 -3.319 1.00 0.00 N ATOM 411 CE2 TRP A 28 4.460 -6.385 -2.123 1.00 0.00 C ATOM 412 CE3 TRP A 28 6.629 -5.589 -1.371 1.00 0.00 C ATOM 413 CZ2 TRP A 28 3.883 -6.286 -0.851 1.00 0.00 C ATOM 414 CZ3 TRP A 28 6.036 -5.494 -0.106 1.00 0.00 C ATOM 415 CH2 TRP A 28 4.716 -5.823 0.174 1.00 0.00 C ATOM 0 H TRP A 28 5.493 -3.882 -5.814 1.00 0.00 H new ATOM 0 HA TRP A 28 8.288 -4.533 -5.636 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.652 -6.981 -5.000 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.117 -5.793 -3.798 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.716 -6.994 -5.327 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.929 -7.120 -3.453 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.660 -5.325 -1.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.852 -6.552 -0.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.649 -5.140 0.710 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.334 -5.722 1.179 1.00 0.00 H new ATOM 426 N CYS A 29 6.261 -6.633 -6.975 1.00 0.00 N ATOM 427 CA CYS A 29 5.841 -7.253 -8.220 1.00 0.00 C ATOM 428 C CYS A 29 5.092 -8.544 -7.886 1.00 0.00 C ATOM 429 O CYS A 29 5.663 -9.464 -7.300 1.00 0.00 O ATOM 430 CB CYS A 29 7.028 -7.508 -9.154 1.00 0.00 C ATOM 431 SG CYS A 29 6.883 -6.462 -10.648 1.00 0.00 S ATOM 0 H CYS A 29 6.020 -7.158 -6.134 1.00 0.00 H new ATOM 0 HA CYS A 29 5.177 -6.577 -8.759 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.962 -7.290 -8.636 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.059 -8.560 -9.438 1.00 0.00 H new ATOM 0 HG CYS A 29 6.943 -7.210 -11.709 1.00 0.00 H new ATOM 437 N ASP A 30 3.825 -8.573 -8.272 1.00 0.00 N ATOM 438 CA ASP A 30 2.991 -9.735 -8.020 1.00 0.00 C ATOM 439 C ASP A 30 3.736 -10.996 -8.461 1.00 0.00 C ATOM 440 O ASP A 30 4.828 -10.913 -9.020 1.00 0.00 O ATOM 441 CB ASP A 30 1.683 -9.657 -8.811 1.00 0.00 C ATOM 442 CG ASP A 30 0.604 -10.651 -8.377 1.00 0.00 C ATOM 443 OD1 ASP A 30 -0.505 -10.672 -8.930 1.00 0.00 O ATOM 444 OD2 ASP A 30 0.946 -11.440 -7.414 1.00 0.00 O ATOM 0 H ASP A 30 3.355 -7.809 -8.758 1.00 0.00 H new ATOM 0 HA ASP A 30 2.766 -9.764 -6.954 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.282 -8.647 -8.722 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.904 -9.821 -9.866 1.00 0.00 H new ATOM 450 N ALA A 31 3.115 -12.136 -8.193 1.00 0.00 N ATOM 451 CA ALA A 31 3.704 -13.413 -8.555 1.00 0.00 C ATOM 452 C ALA A 31 3.681 -13.569 -10.077 1.00 0.00 C ATOM 453 O ALA A 31 4.166 -14.566 -10.611 1.00 0.00 O ATOM 454 CB ALA A 31 2.958 -14.542 -7.841 1.00 0.00 C ATOM 0 H ALA A 31 2.209 -12.201 -7.729 1.00 0.00 H new ATOM 0 HA ALA A 31 4.745 -13.458 -8.235 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.401 -15.500 -8.113 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.032 -14.402 -6.763 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.909 -14.530 -8.138 1.00 0.00 H new ATOM 460 N PHE A 32 3.111 -12.569 -10.732 1.00 0.00 N ATOM 461 CA PHE A 32 3.015 -12.582 -12.183 1.00 0.00 C ATOM 462 C PHE A 32 3.804 -11.423 -12.794 1.00 0.00 C ATOM 463 O PHE A 32 4.044 -11.398 -14.001 1.00 0.00 O ATOM 464 CB PHE A 32 1.536 -12.419 -12.537 1.00 0.00 C ATOM 465 CG PHE A 32 0.650 -13.570 -12.054 1.00 0.00 C ATOM 466 CD1 PHE A 32 0.510 -13.808 -10.721 1.00 0.00 C ATOM 467 CD2 PHE A 32 0.002 -14.354 -12.956 1.00 0.00 C ATOM 468 CE1 PHE A 32 -0.311 -14.876 -10.274 1.00 0.00 C ATOM 469 CE2 PHE A 32 -0.819 -15.422 -12.509 1.00 0.00 C ATOM 470 CZ PHE A 32 -0.960 -15.660 -11.177 1.00 0.00 C ATOM 0 H PHE A 32 2.711 -11.744 -10.285 1.00 0.00 H new ATOM 0 HA PHE A 32 3.426 -13.513 -12.574 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.170 -11.487 -12.106 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.440 -12.329 -13.619 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.023 -13.184 -10.004 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.112 -14.164 -14.013 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.421 -15.066 -9.217 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.332 -16.046 -13.226 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.587 -16.471 -10.836 1.00 0.00 H new ATOM 480 N CYS A 33 4.187 -10.490 -11.934 1.00 0.00 N ATOM 481 CA CYS A 33 4.944 -9.332 -12.375 1.00 0.00 C ATOM 482 C CYS A 33 4.410 -8.900 -13.741 1.00 0.00 C ATOM 483 O CYS A 33 5.148 -8.887 -14.726 1.00 0.00 O ATOM 484 CB CYS A 33 6.448 -9.619 -12.415 1.00 0.00 C ATOM 485 SG CYS A 33 7.304 -8.335 -13.400 1.00 0.00 S ATOM 0 H CYS A 33 3.987 -10.513 -10.934 1.00 0.00 H new ATOM 0 HA CYS A 33 4.815 -8.518 -11.661 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.850 -9.640 -11.402 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.628 -10.602 -12.850 1.00 0.00 H new ATOM 0 HG CYS A 33 6.779 -8.278 -14.588 1.00 0.00 H new ATOM 491 N SER A 34 3.130 -8.556 -13.759 1.00 0.00 N ATOM 492 CA SER A 34 2.487 -8.126 -14.990 1.00 0.00 C ATOM 493 C SER A 34 3.191 -6.884 -15.540 1.00 0.00 C ATOM 494 O SER A 34 4.087 -6.338 -14.899 1.00 0.00 O ATOM 495 CB SER A 34 1.003 -7.838 -14.763 1.00 0.00 C ATOM 496 OG SER A 34 0.295 -8.992 -14.319 1.00 0.00 O ATOM 0 H SER A 34 2.521 -8.566 -12.941 1.00 0.00 H new ATOM 0 HA SER A 34 2.565 -8.933 -15.718 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.897 -7.042 -14.026 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.559 -7.475 -15.690 1.00 0.00 H new ATOM 0 HG SER A 34 -0.649 -8.765 -14.184 1.00 0.00 H new ATOM 502 N SER A 35 2.760 -6.474 -16.724 1.00 0.00 N ATOM 503 CA SER A 35 3.338 -5.307 -17.369 1.00 0.00 C ATOM 504 C SER A 35 2.901 -4.036 -16.637 1.00 0.00 C ATOM 505 O SER A 35 3.344 -2.939 -16.974 1.00 0.00 O ATOM 506 CB SER A 35 2.935 -5.236 -18.843 1.00 0.00 C ATOM 507 OG SER A 35 3.314 -6.410 -19.556 1.00 0.00 O ATOM 0 H SER A 35 2.017 -6.929 -17.254 1.00 0.00 H new ATOM 0 HA SER A 35 4.424 -5.392 -17.321 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.856 -5.098 -18.918 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.400 -4.365 -19.305 1.00 0.00 H new ATOM 0 HG SER A 35 3.038 -6.327 -20.493 1.00 0.00 H new ATOM 513 N ARG A 36 2.038 -4.226 -15.651 1.00 0.00 N ATOM 514 CA ARG A 36 1.536 -3.108 -14.869 1.00 0.00 C ATOM 515 C ARG A 36 2.601 -2.635 -13.876 1.00 0.00 C ATOM 516 O ARG A 36 2.336 -1.768 -13.044 1.00 0.00 O ATOM 517 CB ARG A 36 0.270 -3.494 -14.105 1.00 0.00 C ATOM 518 CG ARG A 36 -0.672 -4.319 -14.984 1.00 0.00 C ATOM 519 CD ARG A 36 -1.186 -3.491 -16.163 1.00 0.00 C ATOM 520 NE ARG A 36 -0.089 -3.249 -17.128 1.00 0.00 N ATOM 521 CZ ARG A 36 -0.016 -2.170 -17.936 1.00 0.00 C ATOM 522 NH1 ARG A 36 -0.975 -1.221 -17.902 1.00 0.00 N ATOM 523 NH2 ARG A 36 1.009 -2.057 -18.759 1.00 0.00 N ATOM 0 H ARG A 36 1.673 -5.138 -15.375 1.00 0.00 H new ATOM 0 HA ARG A 36 1.295 -2.301 -15.561 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.538 -4.066 -13.216 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.241 -2.594 -13.763 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.150 -5.201 -15.355 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.514 -4.673 -14.389 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.006 -4.014 -16.655 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.583 -2.541 -15.805 1.00 0.00 H new ATOM 0 HE ARG A 36 0.658 -3.941 -17.186 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.764 -1.316 -17.262 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.911 -0.409 -18.516 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.730 -2.778 -18.778 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.080 -1.248 -19.377 1.00 0.00 H new ATOM 537 N GLY A 37 3.781 -3.225 -13.996 1.00 0.00 N ATOM 538 CA GLY A 37 4.885 -2.876 -13.119 1.00 0.00 C ATOM 539 C GLY A 37 4.839 -3.694 -11.827 1.00 0.00 C ATOM 540 O GLY A 37 4.801 -4.922 -11.867 1.00 0.00 O ATOM 0 H GLY A 37 3.997 -3.943 -14.688 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.831 -3.052 -13.631 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.844 -1.813 -12.882 1.00 0.00 H new ATOM 544 N LYS A 38 4.843 -2.979 -10.711 1.00 0.00 N ATOM 545 CA LYS A 38 4.802 -3.623 -9.410 1.00 0.00 C ATOM 546 C LYS A 38 3.358 -3.657 -8.907 1.00 0.00 C ATOM 547 O LYS A 38 2.429 -3.362 -9.657 1.00 0.00 O ATOM 548 CB LYS A 38 5.773 -2.942 -8.444 1.00 0.00 C ATOM 549 CG LYS A 38 6.949 -2.318 -9.198 1.00 0.00 C ATOM 550 CD LYS A 38 7.481 -3.271 -10.271 1.00 0.00 C ATOM 551 CE LYS A 38 9.007 -3.208 -10.354 1.00 0.00 C ATOM 552 NZ LYS A 38 9.436 -2.783 -11.705 1.00 0.00 N ATOM 0 H LYS A 38 4.874 -1.960 -10.682 1.00 0.00 H new ATOM 0 HA LYS A 38 5.138 -4.657 -9.487 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.249 -2.171 -7.879 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.144 -3.670 -7.722 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.634 -1.383 -9.661 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.746 -2.073 -8.496 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.168 -4.290 -10.045 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.050 -3.012 -11.238 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.389 -2.510 -9.609 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.430 -4.185 -10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.475 -2.746 -11.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.088 -3.464 -12.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.048 -1.841 -11.912 1.00 0.00 H new ATOM 566 N VAL A 39 3.213 -4.018 -7.640 1.00 0.00 N ATOM 567 CA VAL A 39 1.898 -4.094 -7.029 1.00 0.00 C ATOM 568 C VAL A 39 1.683 -2.868 -6.138 1.00 0.00 C ATOM 569 O VAL A 39 2.392 -1.872 -6.266 1.00 0.00 O ATOM 570 CB VAL A 39 1.749 -5.416 -6.272 1.00 0.00 C ATOM 571 CG1 VAL A 39 0.276 -5.816 -6.153 1.00 0.00 C ATOM 572 CG2 VAL A 39 2.564 -6.524 -6.940 1.00 0.00 C ATOM 0 H VAL A 39 3.986 -4.261 -7.020 1.00 0.00 H new ATOM 0 HA VAL A 39 1.120 -4.082 -7.793 1.00 0.00 H new ATOM 0 HB VAL A 39 2.140 -5.272 -5.265 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.198 -6.759 -5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.269 -5.041 -5.614 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.151 -5.934 -7.149 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.441 -7.453 -6.383 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.215 -6.666 -7.963 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.617 -6.244 -6.951 1.00 0.00 H new ATOM 582 N VAL A 40 0.700 -2.982 -5.257 1.00 0.00 N ATOM 583 CA VAL A 40 0.382 -1.897 -4.346 1.00 0.00 C ATOM 584 C VAL A 40 -0.263 -2.468 -3.083 1.00 0.00 C ATOM 585 O VAL A 40 -1.478 -2.386 -2.909 1.00 0.00 O ATOM 586 CB VAL A 40 -0.498 -0.863 -5.051 1.00 0.00 C ATOM 587 CG1 VAL A 40 -0.345 0.517 -4.410 1.00 0.00 C ATOM 588 CG2 VAL A 40 -0.189 -0.809 -6.548 1.00 0.00 C ATOM 0 H VAL A 40 0.113 -3.810 -5.155 1.00 0.00 H new ATOM 0 HA VAL A 40 1.290 -1.378 -4.040 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.536 -1.173 -4.934 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.981 1.233 -4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.639 0.466 -3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.694 0.838 -4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.828 -0.066 -7.025 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.856 -0.536 -6.694 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.374 -1.787 -6.993 1.00 0.00 H new ATOM 598 N GLU A 41 0.579 -3.036 -2.232 1.00 0.00 N ATOM 599 CA GLU A 41 0.106 -3.623 -0.989 1.00 0.00 C ATOM 600 C GLU A 41 0.146 -2.586 0.136 1.00 0.00 C ATOM 601 O GLU A 41 0.939 -2.706 1.068 1.00 0.00 O ATOM 602 CB GLU A 41 0.923 -4.862 -0.621 1.00 0.00 C ATOM 603 CG GLU A 41 1.167 -5.742 -1.848 1.00 0.00 C ATOM 604 CD GLU A 41 0.866 -7.210 -1.539 1.00 0.00 C ATOM 605 OE1 GLU A 41 1.050 -7.653 -0.395 1.00 0.00 O ATOM 606 OE2 GLU A 41 0.426 -7.899 -2.536 1.00 0.00 O ATOM 0 H GLU A 41 1.586 -3.102 -2.379 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.928 -3.939 -1.130 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.878 -4.558 -0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.397 -5.435 0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.539 -5.404 -2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.202 -5.640 -2.173 1.00 0.00 H new ATOM 614 N LEU A 42 -0.720 -1.591 0.011 1.00 0.00 N ATOM 615 CA LEU A 42 -0.794 -0.533 1.006 1.00 0.00 C ATOM 616 C LEU A 42 -1.283 -1.120 2.332 1.00 0.00 C ATOM 617 O LEU A 42 -1.506 -2.325 2.437 1.00 0.00 O ATOM 618 CB LEU A 42 -1.652 0.625 0.493 1.00 0.00 C ATOM 619 CG LEU A 42 -1.624 0.863 -1.018 1.00 0.00 C ATOM 620 CD1 LEU A 42 -2.869 0.278 -1.689 1.00 0.00 C ATOM 621 CD2 LEU A 42 -1.446 2.348 -1.337 1.00 0.00 C ATOM 0 H LEU A 42 -1.376 -1.495 -0.764 1.00 0.00 H new ATOM 0 HA LEU A 42 0.194 -0.111 1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.684 0.447 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.328 1.539 0.991 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.761 0.340 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.824 0.461 -2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.911 -0.796 -1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.760 0.751 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.430 2.489 -2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.274 2.914 -0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.507 2.702 -0.911 1.00 0.00 H new ATOM 633 N GLY A 43 -1.435 -0.240 3.311 1.00 0.00 N ATOM 634 CA GLY A 43 -1.891 -0.655 4.625 1.00 0.00 C ATOM 635 C GLY A 43 -1.492 0.366 5.693 1.00 0.00 C ATOM 636 O GLY A 43 -1.438 1.564 5.422 1.00 0.00 O ATOM 0 H GLY A 43 -1.250 0.759 3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.975 -0.773 4.617 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.466 -1.628 4.871 1.00 0.00 H new ATOM 640 N CYS A 44 -1.220 -0.147 6.884 1.00 0.00 N ATOM 641 CA CYS A 44 -0.827 0.705 7.994 1.00 0.00 C ATOM 642 C CYS A 44 0.634 0.407 8.334 1.00 0.00 C ATOM 643 O CYS A 44 1.131 -0.684 8.054 1.00 0.00 O ATOM 644 CB CYS A 44 -1.744 0.517 9.204 1.00 0.00 C ATOM 645 SG CYS A 44 -3.488 0.419 8.659 1.00 0.00 S ATOM 0 H CYS A 44 -1.264 -1.142 7.105 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.926 1.751 7.705 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.470 -0.392 9.740 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.618 1.347 9.899 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.897 1.599 8.297 1.00 0.00 H new ATOM 651 N ALA A 45 1.283 1.396 8.931 1.00 0.00 N ATOM 652 CA ALA A 45 2.679 1.255 9.311 1.00 0.00 C ATOM 653 C ALA A 45 3.071 2.409 10.235 1.00 0.00 C ATOM 654 O ALA A 45 2.596 3.531 10.067 1.00 0.00 O ATOM 655 CB ALA A 45 3.546 1.193 8.053 1.00 0.00 C ATOM 0 H ALA A 45 0.868 2.299 9.161 1.00 0.00 H new ATOM 0 HA ALA A 45 2.836 0.327 9.860 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.593 1.087 8.337 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.247 0.338 7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.417 2.109 7.477 1.00 0.00 H new ATOM 661 N ALA A 46 3.933 2.094 11.190 1.00 0.00 N ATOM 662 CA ALA A 46 4.394 3.090 12.142 1.00 0.00 C ATOM 663 C ALA A 46 4.922 4.309 11.381 1.00 0.00 C ATOM 664 O ALA A 46 4.572 5.444 11.700 1.00 0.00 O ATOM 665 CB ALA A 46 5.452 2.473 13.056 1.00 0.00 C ATOM 0 H ALA A 46 4.325 1.162 11.325 1.00 0.00 H new ATOM 0 HA ALA A 46 3.572 3.425 12.775 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.797 3.221 13.770 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.020 1.629 13.595 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.294 2.128 12.456 1.00 0.00 H new ATOM 671 N THR A 47 5.755 4.031 10.387 1.00 0.00 N ATOM 672 CA THR A 47 6.334 5.091 9.580 1.00 0.00 C ATOM 673 C THR A 47 6.833 4.531 8.246 1.00 0.00 C ATOM 674 O THR A 47 7.039 3.326 8.112 1.00 0.00 O ATOM 675 CB THR A 47 7.431 5.769 10.404 1.00 0.00 C ATOM 676 OG1 THR A 47 8.224 4.685 10.883 1.00 0.00 O ATOM 677 CG2 THR A 47 6.888 6.425 11.674 1.00 0.00 C ATOM 0 H THR A 47 6.042 3.088 10.123 1.00 0.00 H new ATOM 0 HA THR A 47 5.590 5.845 9.323 1.00 0.00 H new ATOM 0 HB THR A 47 7.932 6.521 9.794 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.961 5.034 11.427 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.707 6.891 12.222 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.153 7.184 11.406 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.417 5.668 12.301 1.00 0.00 H new ATOM 685 N CYS A 48 7.016 5.434 7.294 1.00 0.00 N ATOM 686 CA CYS A 48 7.487 5.046 5.974 1.00 0.00 C ATOM 687 C CYS A 48 8.439 3.858 6.135 1.00 0.00 C ATOM 688 O CYS A 48 9.617 4.040 6.435 1.00 0.00 O ATOM 689 CB CYS A 48 8.151 6.215 5.244 1.00 0.00 C ATOM 690 SG CYS A 48 7.723 7.792 6.069 1.00 0.00 S ATOM 0 H CYS A 48 6.847 6.433 7.410 1.00 0.00 H new ATOM 0 HA CYS A 48 6.640 4.751 5.354 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.233 6.082 5.235 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.824 6.238 4.204 1.00 0.00 H new ATOM 0 HG CYS A 48 6.436 7.857 6.240 1.00 0.00 H new ATOM 696 N PRO A 49 7.876 2.638 5.923 1.00 0.00 N ATOM 697 CA PRO A 49 8.663 1.422 6.040 1.00 0.00 C ATOM 698 C PRO A 49 9.585 1.245 4.832 1.00 0.00 C ATOM 699 O PRO A 49 10.400 0.325 4.798 1.00 0.00 O ATOM 700 CB PRO A 49 7.639 0.306 6.175 1.00 0.00 C ATOM 701 CG PRO A 49 6.328 0.878 5.663 1.00 0.00 C ATOM 702 CD PRO A 49 6.484 2.386 5.565 1.00 0.00 C ATOM 0 HA PRO A 49 9.335 1.436 6.898 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.936 -0.568 5.596 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.546 -0.015 7.212 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.082 0.456 4.689 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.511 0.622 6.337 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.263 2.742 4.559 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.802 2.900 6.242 1.00 0.00 H new ATOM 710 N SER A 50 9.426 2.144 3.871 1.00 0.00 N ATOM 711 CA SER A 50 10.235 2.099 2.666 1.00 0.00 C ATOM 712 C SER A 50 11.548 1.366 2.943 1.00 0.00 C ATOM 713 O SER A 50 12.158 1.553 3.993 1.00 0.00 O ATOM 714 CB SER A 50 10.514 3.508 2.137 1.00 0.00 C ATOM 715 OG SER A 50 10.083 3.667 0.788 1.00 0.00 O ATOM 0 H SER A 50 8.749 2.907 3.903 1.00 0.00 H new ATOM 0 HA SER A 50 9.679 1.556 1.901 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.008 4.239 2.768 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.582 3.715 2.203 1.00 0.00 H new ATOM 0 HG SER A 50 9.169 3.326 0.694 1.00 0.00 H new ATOM 721 N LYS A 51 11.946 0.544 1.980 1.00 0.00 N ATOM 722 CA LYS A 51 13.174 -0.219 2.109 1.00 0.00 C ATOM 723 C LYS A 51 14.321 0.556 1.455 1.00 0.00 C ATOM 724 O LYS A 51 14.690 1.634 1.917 1.00 0.00 O ATOM 725 CB LYS A 51 12.990 -1.631 1.549 1.00 0.00 C ATOM 726 CG LYS A 51 12.445 -2.578 2.621 1.00 0.00 C ATOM 727 CD LYS A 51 13.581 -3.182 3.449 1.00 0.00 C ATOM 728 CE LYS A 51 14.202 -2.134 4.375 1.00 0.00 C ATOM 729 NZ LYS A 51 13.168 -1.535 5.248 1.00 0.00 N ATOM 0 H LYS A 51 11.438 0.391 1.109 1.00 0.00 H new ATOM 0 HA LYS A 51 13.433 -0.349 3.160 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.306 -1.604 0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.944 -2.006 1.178 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.761 -2.037 3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.871 -3.375 2.149 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.202 -4.016 4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.346 -3.584 2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.979 -2.594 4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.682 -1.355 3.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.625 -0.955 5.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.536 -0.938 4.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.615 -2.291 5.700 1.00 0.00 H new ATOM 743 N LYS A 52 14.852 -0.024 0.389 1.00 0.00 N ATOM 744 CA LYS A 52 15.950 0.597 -0.333 1.00 0.00 C ATOM 745 C LYS A 52 15.966 0.080 -1.773 1.00 0.00 C ATOM 746 O LYS A 52 15.977 0.866 -2.719 1.00 0.00 O ATOM 747 CB LYS A 52 17.269 0.387 0.412 1.00 0.00 C ATOM 748 CG LYS A 52 17.177 0.903 1.849 1.00 0.00 C ATOM 749 CD LYS A 52 16.863 -0.236 2.822 1.00 0.00 C ATOM 750 CE LYS A 52 16.765 0.280 4.258 1.00 0.00 C ATOM 751 NZ LYS A 52 18.092 0.251 4.911 1.00 0.00 N ATOM 0 H LYS A 52 14.542 -0.918 0.007 1.00 0.00 H new ATOM 0 HA LYS A 52 15.809 1.677 -0.384 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.522 -0.673 0.418 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.073 0.903 -0.113 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.118 1.377 2.130 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.403 1.667 1.916 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.925 -0.713 2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.640 -0.998 2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.375 1.298 4.259 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.062 -0.332 4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.007 0.605 5.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.450 -0.725 4.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.753 0.853 4.380 1.00 0.00 H new ATOM 765 N PRO A 53 15.968 -1.273 -1.896 1.00 0.00 N ATOM 766 CA PRO A 53 15.982 -1.907 -3.204 1.00 0.00 C ATOM 767 C PRO A 53 14.610 -1.811 -3.875 1.00 0.00 C ATOM 768 O PRO A 53 14.208 -0.741 -4.328 1.00 0.00 O ATOM 769 CB PRO A 53 16.419 -3.339 -2.944 1.00 0.00 C ATOM 770 CG PRO A 53 16.184 -3.583 -1.462 1.00 0.00 C ATOM 771 CD PRO A 53 15.955 -2.236 -0.797 1.00 0.00 C ATOM 0 HA PRO A 53 16.663 -1.419 -3.901 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.845 -4.039 -3.551 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.469 -3.480 -3.202 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.321 -4.233 -1.314 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.042 -4.087 -1.018 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.005 -2.214 -0.263 1.00 0.00 H new ATOM 0 HD3 PRO A 53 16.735 -2.016 -0.069 1.00 0.00 H new ATOM 779 N TYR A 54 13.929 -2.947 -3.916 1.00 0.00 N ATOM 780 CA TYR A 54 12.611 -3.007 -4.524 1.00 0.00 C ATOM 781 C TYR A 54 11.532 -2.545 -3.542 1.00 0.00 C ATOM 782 O TYR A 54 10.739 -1.659 -3.856 1.00 0.00 O ATOM 783 CB TYR A 54 12.371 -4.477 -4.872 1.00 0.00 C ATOM 784 CG TYR A 54 12.938 -5.459 -3.844 1.00 0.00 C ATOM 785 CD1 TYR A 54 14.292 -5.724 -3.816 1.00 0.00 C ATOM 786 CD2 TYR A 54 12.095 -6.079 -2.944 1.00 0.00 C ATOM 787 CE1 TYR A 54 14.825 -6.648 -2.849 1.00 0.00 C ATOM 788 CE2 TYR A 54 12.628 -7.003 -1.976 1.00 0.00 C ATOM 789 CZ TYR A 54 13.967 -7.242 -1.976 1.00 0.00 C ATOM 790 OH TYR A 54 14.471 -8.114 -1.064 1.00 0.00 O ATOM 0 H TYR A 54 14.265 -3.833 -3.538 1.00 0.00 H new ATOM 0 HA TYR A 54 12.563 -2.358 -5.399 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.299 -4.647 -4.969 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.816 -4.687 -5.845 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.952 -5.238 -4.520 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.035 -5.871 -2.966 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.883 -6.865 -2.817 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.979 -7.495 -1.266 1.00 0.00 H new ATOM 0 HH TYR A 54 13.744 -8.460 -0.506 1.00 0.00 H new ATOM 800 N GLU A 55 11.538 -3.165 -2.372 1.00 0.00 N ATOM 801 CA GLU A 55 10.571 -2.830 -1.341 1.00 0.00 C ATOM 802 C GLU A 55 10.284 -1.327 -1.351 1.00 0.00 C ATOM 803 O GLU A 55 10.716 -0.602 -0.456 1.00 0.00 O ATOM 804 CB GLU A 55 11.056 -3.285 0.036 1.00 0.00 C ATOM 805 CG GLU A 55 10.618 -4.723 0.324 1.00 0.00 C ATOM 806 CD GLU A 55 10.863 -5.088 1.790 1.00 0.00 C ATOM 807 OE1 GLU A 55 11.953 -5.565 2.136 1.00 0.00 O ATOM 808 OE2 GLU A 55 9.871 -4.858 2.582 1.00 0.00 O ATOM 0 H GLU A 55 12.198 -3.899 -2.115 1.00 0.00 H new ATOM 0 HA GLU A 55 9.643 -3.360 -1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.143 -3.216 0.084 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.660 -2.620 0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.560 -4.839 0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.165 -5.410 -0.322 1.00 0.00 H new ATOM 816 N GLU A 56 9.557 -0.902 -2.375 1.00 0.00 N ATOM 817 CA GLU A 56 9.209 0.501 -2.514 1.00 0.00 C ATOM 818 C GLU A 56 7.928 0.809 -1.735 1.00 0.00 C ATOM 819 O GLU A 56 6.828 0.706 -2.277 1.00 0.00 O ATOM 820 CB GLU A 56 9.060 0.886 -3.987 1.00 0.00 C ATOM 821 CG GLU A 56 9.956 2.075 -4.336 1.00 0.00 C ATOM 822 CD GLU A 56 9.241 3.043 -5.282 1.00 0.00 C ATOM 823 OE1 GLU A 56 8.207 2.686 -5.866 1.00 0.00 O ATOM 824 OE2 GLU A 56 9.796 4.201 -5.398 1.00 0.00 O ATOM 0 H GLU A 56 9.200 -1.505 -3.116 1.00 0.00 H new ATOM 0 HA GLU A 56 10.019 1.099 -2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.318 0.035 -4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.020 1.135 -4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.243 2.598 -3.424 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.875 1.718 -4.802 1.00 0.00 H new ATOM 832 N VAL A 57 8.113 1.182 -0.477 1.00 0.00 N ATOM 833 CA VAL A 57 6.986 1.505 0.383 1.00 0.00 C ATOM 834 C VAL A 57 6.788 3.022 0.406 1.00 0.00 C ATOM 835 O VAL A 57 7.713 3.777 0.111 1.00 0.00 O ATOM 836 CB VAL A 57 7.200 0.908 1.773 1.00 0.00 C ATOM 837 CG1 VAL A 57 5.873 0.771 2.521 1.00 0.00 C ATOM 838 CG2 VAL A 57 7.922 -0.440 1.687 1.00 0.00 C ATOM 0 H VAL A 57 9.027 1.268 -0.032 1.00 0.00 H new ATOM 0 HA VAL A 57 6.069 1.063 -0.006 1.00 0.00 H new ATOM 0 HB VAL A 57 7.834 1.592 2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.054 0.344 3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.414 1.753 2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.205 0.118 1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.062 -0.843 2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.325 -1.135 1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.894 -0.303 1.213 1.00 0.00 H new ATOM 848 N THR A 58 5.576 3.423 0.762 1.00 0.00 N ATOM 849 CA THR A 58 5.245 4.836 0.829 1.00 0.00 C ATOM 850 C THR A 58 4.634 5.177 2.188 1.00 0.00 C ATOM 851 O THR A 58 5.017 4.604 3.207 1.00 0.00 O ATOM 852 CB THR A 58 4.327 5.162 -0.351 1.00 0.00 C ATOM 853 OG1 THR A 58 4.805 4.331 -1.404 1.00 0.00 O ATOM 854 CG2 THR A 58 4.531 6.585 -0.876 1.00 0.00 C ATOM 0 H THR A 58 4.812 2.794 1.007 1.00 0.00 H new ATOM 0 HA THR A 58 6.137 5.456 0.746 1.00 0.00 H new ATOM 0 HB THR A 58 3.288 5.033 -0.048 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.526 3.405 -1.243 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.856 6.765 -1.712 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.321 7.300 -0.080 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.562 6.705 -1.210 1.00 0.00 H new ATOM 862 N CYS A 59 3.691 6.108 2.161 1.00 0.00 N ATOM 863 CA CYS A 59 3.021 6.532 3.379 1.00 0.00 C ATOM 864 C CYS A 59 1.632 7.052 3.007 1.00 0.00 C ATOM 865 O CYS A 59 1.313 7.195 1.828 1.00 0.00 O ATOM 866 CB CYS A 59 3.839 7.579 4.138 1.00 0.00 C ATOM 867 SG CYS A 59 5.105 6.755 5.172 1.00 0.00 S ATOM 0 H CYS A 59 3.375 6.581 1.314 1.00 0.00 H new ATOM 0 HA CYS A 59 2.920 5.684 4.056 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.319 8.258 3.433 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.182 8.182 4.765 1.00 0.00 H new ATOM 0 HG CYS A 59 6.266 7.295 4.949 1.00 0.00 H new ATOM 873 N CYS A 60 0.841 7.321 4.035 1.00 0.00 N ATOM 874 CA CYS A 60 -0.507 7.823 3.832 1.00 0.00 C ATOM 875 C CYS A 60 -1.158 8.022 5.203 1.00 0.00 C ATOM 876 O CYS A 60 -1.380 7.059 5.935 1.00 0.00 O ATOM 877 CB CYS A 60 -1.329 6.888 2.941 1.00 0.00 C ATOM 878 SG CYS A 60 -2.982 6.614 3.679 1.00 0.00 S ATOM 0 H CYS A 60 1.108 7.201 5.012 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.467 8.778 3.308 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.433 7.319 1.945 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.812 5.936 2.824 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.865 6.475 4.966 1.00 0.00 H new ATOM 884 N SER A 61 -1.444 9.279 5.508 1.00 0.00 N ATOM 885 CA SER A 61 -2.065 9.618 6.777 1.00 0.00 C ATOM 886 C SER A 61 -3.504 10.083 6.550 1.00 0.00 C ATOM 887 O SER A 61 -4.380 9.828 7.375 1.00 0.00 O ATOM 888 CB SER A 61 -1.267 10.698 7.509 1.00 0.00 C ATOM 889 OG SER A 61 -1.643 12.010 7.099 1.00 0.00 O ATOM 0 H SER A 61 -1.257 10.075 4.898 1.00 0.00 H new ATOM 0 HA SER A 61 -2.074 8.725 7.402 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.420 10.596 8.583 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.203 10.551 7.323 1.00 0.00 H new ATOM 0 HG SER A 61 -1.112 12.671 7.590 1.00 0.00 H new ATOM 895 N THR A 62 -3.703 10.756 5.427 1.00 0.00 N ATOM 896 CA THR A 62 -5.022 11.259 5.080 1.00 0.00 C ATOM 897 C THR A 62 -6.069 10.153 5.220 1.00 0.00 C ATOM 898 O THR A 62 -5.725 8.977 5.326 1.00 0.00 O ATOM 899 CB THR A 62 -4.946 11.850 3.671 1.00 0.00 C ATOM 900 OG1 THR A 62 -3.592 11.644 3.279 1.00 0.00 O ATOM 901 CG2 THR A 62 -5.109 13.371 3.663 1.00 0.00 C ATOM 0 H THR A 62 -2.974 10.965 4.745 1.00 0.00 H new ATOM 0 HA THR A 62 -5.337 12.048 5.763 1.00 0.00 H new ATOM 0 HB THR A 62 -5.718 11.399 3.048 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.361 10.698 3.386 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.047 13.738 2.639 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.079 13.635 4.085 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.318 13.825 4.260 1.00 0.00 H new ATOM 909 N ASP A 63 -7.327 10.569 5.217 1.00 0.00 N ATOM 910 CA ASP A 63 -8.427 9.628 5.343 1.00 0.00 C ATOM 911 C ASP A 63 -8.547 8.815 4.053 1.00 0.00 C ATOM 912 O ASP A 63 -9.046 9.314 3.046 1.00 0.00 O ATOM 913 CB ASP A 63 -9.752 10.358 5.567 1.00 0.00 C ATOM 914 CG ASP A 63 -10.157 10.527 7.034 1.00 0.00 C ATOM 915 OD1 ASP A 63 -10.047 11.622 7.605 1.00 0.00 O ATOM 916 OD2 ASP A 63 -10.609 9.461 7.601 1.00 0.00 O ATOM 0 H ASP A 63 -7.609 11.545 5.129 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.222 8.982 6.197 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.689 11.344 5.107 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.541 9.814 5.048 1.00 0.00 H new ATOM 922 N LYS A 64 -8.082 7.578 4.126 1.00 0.00 N ATOM 923 CA LYS A 64 -8.131 6.691 2.975 1.00 0.00 C ATOM 924 C LYS A 64 -7.226 7.243 1.872 1.00 0.00 C ATOM 925 O LYS A 64 -7.653 7.383 0.727 1.00 0.00 O ATOM 926 CB LYS A 64 -9.578 6.469 2.531 1.00 0.00 C ATOM 927 CG LYS A 64 -10.404 5.831 3.651 1.00 0.00 C ATOM 928 CD LYS A 64 -11.887 5.787 3.280 1.00 0.00 C ATOM 929 CE LYS A 64 -12.602 4.650 4.013 1.00 0.00 C ATOM 930 NZ LYS A 64 -14.032 4.977 4.209 1.00 0.00 N ATOM 0 H LYS A 64 -7.669 7.168 4.964 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.748 5.705 3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.024 7.421 2.243 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.597 5.828 1.650 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.043 4.821 3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.273 6.398 4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.357 6.738 3.531 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.992 5.653 2.203 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.509 3.726 3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.127 4.477 4.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.502 4.195 4.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.115 5.847 4.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.485 5.120 3.284 1.00 0.00 H new ATOM 944 N CYS A 65 -5.994 7.542 2.256 1.00 0.00 N ATOM 945 CA CYS A 65 -5.026 8.077 1.313 1.00 0.00 C ATOM 946 C CYS A 65 -4.115 6.933 0.861 1.00 0.00 C ATOM 947 O CYS A 65 -2.963 7.162 0.493 1.00 0.00 O ATOM 948 CB CYS A 65 -4.231 9.236 1.916 1.00 0.00 C ATOM 949 SG CYS A 65 -3.851 8.890 3.672 1.00 0.00 S ATOM 0 H CYS A 65 -5.644 7.424 3.207 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.545 8.491 0.448 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.306 9.383 1.358 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.802 10.161 1.835 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.996 7.619 3.905 1.00 0.00 H new ATOM 955 N ASN A 66 -4.664 5.729 0.904 1.00 0.00 N ATOM 956 CA ASN A 66 -3.914 4.550 0.503 1.00 0.00 C ATOM 957 C ASN A 66 -4.467 4.026 -0.823 1.00 0.00 C ATOM 958 O ASN A 66 -4.101 2.937 -1.265 1.00 0.00 O ATOM 959 CB ASN A 66 -4.044 3.436 1.543 1.00 0.00 C ATOM 960 CG ASN A 66 -2.681 3.078 2.139 1.00 0.00 C ATOM 961 OD1 ASN A 66 -2.442 1.970 2.591 1.00 0.00 O ATOM 962 ND2 ASN A 66 -1.801 4.077 2.114 1.00 0.00 N ATOM 0 H ASN A 66 -5.619 5.543 1.210 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.866 4.833 0.406 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.720 3.753 2.337 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.486 2.553 1.081 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.862 3.939 2.488 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.066 4.980 1.721 1.00 0.00 H new ATOM 969 N PRO A 67 -5.362 4.845 -1.436 1.00 0.00 N ATOM 970 CA PRO A 67 -5.968 4.476 -2.704 1.00 0.00 C ATOM 971 C PRO A 67 -4.975 4.639 -3.856 1.00 0.00 C ATOM 972 O PRO A 67 -5.130 5.529 -4.692 1.00 0.00 O ATOM 973 CB PRO A 67 -7.185 5.377 -2.836 1.00 0.00 C ATOM 974 CG PRO A 67 -6.955 6.530 -1.872 1.00 0.00 C ATOM 975 CD PRO A 67 -5.818 6.141 -0.942 1.00 0.00 C ATOM 0 HA PRO A 67 -6.260 3.427 -2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.295 5.738 -3.858 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.099 4.837 -2.589 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.707 7.440 -2.418 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.861 6.737 -1.302 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.016 6.879 -0.967 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.157 6.074 0.092 1.00 0.00 H new ATOM 983 N HIS A 68 -3.978 3.768 -3.864 1.00 0.00 N ATOM 984 CA HIS A 68 -2.958 3.805 -4.899 1.00 0.00 C ATOM 985 C HIS A 68 -3.605 4.152 -6.242 1.00 0.00 C ATOM 986 O HIS A 68 -4.806 3.964 -6.424 1.00 0.00 O ATOM 987 CB HIS A 68 -2.177 2.491 -4.939 1.00 0.00 C ATOM 988 CG HIS A 68 -3.047 1.260 -5.031 1.00 0.00 C ATOM 989 ND1 HIS A 68 -2.913 0.320 -6.037 1.00 0.00 N ATOM 990 CD2 HIS A 68 -4.065 0.826 -4.233 1.00 0.00 C ATOM 991 CE1 HIS A 68 -3.814 -0.632 -5.844 1.00 0.00 C ATOM 992 NE2 HIS A 68 -4.526 -0.316 -4.725 1.00 0.00 N ATOM 0 H HIS A 68 -3.854 3.031 -3.170 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.231 4.585 -4.672 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.500 2.509 -5.793 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.559 2.420 -4.044 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -2.235 0.354 -6.798 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.433 1.328 -3.350 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.959 -1.505 -6.464 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.755 4.668 -7.171 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.231 5.044 -8.492 1.00 0.00 C ATOM 1003 C PRO A 69 -3.482 3.806 -9.357 1.00 0.00 C ATOM 1004 O PRO A 69 -2.540 3.184 -9.845 1.00 0.00 O ATOM 1005 CB PRO A 69 -2.151 5.953 -9.055 1.00 0.00 C ATOM 1006 CG PRO A 69 -0.905 5.681 -8.228 1.00 0.00 C ATOM 1007 CD PRO A 69 -1.327 4.906 -6.991 1.00 0.00 C ATOM 0 HA PRO A 69 -4.191 5.559 -8.463 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.974 5.742 -10.110 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.446 7.000 -8.984 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.180 5.110 -8.807 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.422 6.617 -7.946 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.777 3.969 -6.905 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.132 5.475 -6.082 1.00 0.00 H new ATOM 1015 N LYS A 70 -4.758 3.488 -9.520 1.00 0.00 N ATOM 1016 CA LYS A 70 -5.144 2.335 -10.317 1.00 0.00 C ATOM 1017 C LYS A 70 -6.614 2.470 -10.721 1.00 0.00 C ATOM 1018 O LYS A 70 -6.981 2.166 -11.854 1.00 0.00 O ATOM 1019 CB LYS A 70 -4.827 1.037 -9.573 1.00 0.00 C ATOM 1020 CG LYS A 70 -3.957 1.309 -8.343 1.00 0.00 C ATOM 1021 CD LYS A 70 -4.691 2.198 -7.338 1.00 0.00 C ATOM 1022 CE LYS A 70 -6.170 1.816 -7.246 1.00 0.00 C ATOM 1023 NZ LYS A 70 -6.941 2.889 -6.579 1.00 0.00 N ATOM 0 H LYS A 70 -5.537 4.007 -9.115 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.562 2.296 -11.237 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.755 0.553 -9.267 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.313 0.347 -10.241 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.686 0.366 -7.869 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.028 1.790 -8.649 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.226 2.104 -6.357 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.599 3.242 -7.636 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.569 1.640 -8.245 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.277 0.884 -6.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.751 2.473 -6.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.329 3.385 -5.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.285 3.564 -7.292 1.00 0.00 H new ATOM 1037 N GLN A 71 -7.417 2.926 -9.769 1.00 0.00 N ATOM 1038 CA GLN A 71 -8.838 3.104 -10.011 1.00 0.00 C ATOM 1039 C GLN A 71 -9.060 4.012 -11.222 1.00 0.00 C ATOM 1040 O GLN A 71 -9.338 5.200 -11.070 1.00 0.00 O ATOM 1041 CB GLN A 71 -9.539 3.664 -8.771 1.00 0.00 C ATOM 1042 CG GLN A 71 -9.872 2.547 -7.780 1.00 0.00 C ATOM 1043 CD GLN A 71 -10.306 3.124 -6.430 1.00 0.00 C ATOM 1044 OE1 GLN A 71 -9.464 2.866 -5.435 1.00 0.00 O flip ATOM 1045 NE2 GLN A 71 -11.340 3.760 -6.302 1.00 0.00 N flip ATOM 0 H GLN A 71 -7.110 3.177 -8.829 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.275 2.129 -10.227 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.899 4.404 -8.290 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.454 4.178 -9.067 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.668 1.922 -8.185 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.001 1.906 -7.643 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.942 3.922 -7.109 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.602 4.129 -5.388 1.00 0.00 H new ATOM 1054 N ARG A 72 -8.933 3.417 -12.399 1.00 0.00 N ATOM 1055 CA ARG A 72 -9.115 4.156 -13.637 1.00 0.00 C ATOM 1056 C ARG A 72 -9.188 3.194 -14.824 1.00 0.00 C ATOM 1057 O ARG A 72 -8.455 2.208 -14.874 1.00 0.00 O ATOM 1058 CB ARG A 72 -7.970 5.146 -13.860 1.00 0.00 C ATOM 1059 CG ARG A 72 -8.127 5.870 -15.200 1.00 0.00 C ATOM 1060 CD ARG A 72 -6.817 6.541 -15.616 1.00 0.00 C ATOM 1061 NE ARG A 72 -5.745 5.529 -15.735 1.00 0.00 N ATOM 1062 CZ ARG A 72 -4.430 5.824 -15.813 1.00 0.00 C ATOM 1063 NH1 ARG A 72 -4.012 7.106 -15.782 1.00 0.00 N ATOM 1064 NH2 ARG A 72 -3.559 4.838 -15.918 1.00 0.00 N ATOM 0 H ARG A 72 -8.706 2.430 -12.522 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.050 4.711 -13.558 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.950 5.874 -13.049 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.017 4.617 -13.837 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.436 5.160 -15.967 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.915 6.619 -15.123 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.949 7.056 -16.567 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.536 7.295 -14.881 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.016 4.546 -15.760 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.692 7.862 -15.699 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.016 7.319 -15.842 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.883 3.871 -15.939 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.562 5.043 -15.978 1.00 0.00 H new ATOM 1078 N PRO A 73 -10.103 3.523 -15.775 1.00 0.00 N ATOM 1079 CA PRO A 73 -10.282 2.698 -16.958 1.00 0.00 C ATOM 1080 C PRO A 73 -9.131 2.903 -17.946 1.00 0.00 C ATOM 1081 O PRO A 73 -8.988 3.979 -18.523 1.00 0.00 O ATOM 1082 CB PRO A 73 -11.631 3.110 -17.524 1.00 0.00 C ATOM 1083 CG PRO A 73 -11.945 4.464 -16.910 1.00 0.00 C ATOM 1084 CD PRO A 73 -10.990 4.683 -15.747 1.00 0.00 C ATOM 0 HA PRO A 73 -10.268 1.631 -16.734 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.595 3.173 -18.612 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.400 2.379 -17.272 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.831 5.255 -17.651 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.979 4.496 -16.566 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.431 5.612 -15.862 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.527 4.749 -14.801 1.00 0.00 H new ATOM 1092 N GLY A 74 -8.340 1.852 -18.111 1.00 0.00 N ATOM 1093 CA GLY A 74 -7.208 1.903 -19.018 1.00 0.00 C ATOM 1094 C GLY A 74 -6.499 0.548 -19.085 1.00 0.00 C ATOM 1095 O GLY A 74 -5.559 0.374 -19.859 1.00 0.00 O ATOM 0 H GLY A 74 -8.462 0.960 -17.631 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.547 2.190 -20.013 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.506 2.669 -18.687 1.00 0.00 H new ATOM 1100 N HIS B 1 -7.144 -10.473 -10.772 1.00 0.00 N ATOM 1101 CA HIS B 1 -7.527 -10.099 -9.420 1.00 0.00 C ATOM 1102 C HIS B 1 -6.290 -9.631 -8.649 1.00 0.00 C ATOM 1103 O HIS B 1 -5.609 -10.435 -8.017 1.00 0.00 O ATOM 1104 CB HIS B 1 -8.260 -11.247 -8.725 1.00 0.00 C ATOM 1105 CG HIS B 1 -8.125 -11.241 -7.221 1.00 0.00 C ATOM 1106 ND1 HIS B 1 -7.199 -11.825 -6.406 1.00 0.00 N flip ATOM 1107 CD2 HIS B 1 -9.010 -10.576 -6.392 1.00 0.00 C flip ATOM 1108 CE1 HIS B 1 -7.502 -11.532 -5.149 1.00 0.00 C flip ATOM 1109 NE2 HIS B 1 -8.626 -10.758 -5.137 1.00 0.00 N flip ATOM 0 H1 HIS B 1 -7.924 -10.992 -11.223 1.00 0.00 H new ATOM 0 H2 HIS B 1 -6.934 -9.616 -11.323 1.00 0.00 H new ATOM 0 H3 HIS B 1 -6.299 -11.079 -10.739 1.00 0.00 H new ATOM 0 HA HIS B 1 -8.229 -9.266 -9.454 1.00 0.00 H new ATOM 0 HB2 HIS B 1 -9.318 -11.199 -8.985 1.00 0.00 H new ATOM 0 HB3 HIS B 1 -7.880 -12.193 -9.110 1.00 0.00 H new ATOM 0 HD2 HIS B 1 -9.869 -10.005 -6.713 1.00 0.00 H new ATOM 0 HE1 HIS B 1 -6.950 -11.853 -4.278 1.00 0.00 H new ATOM 0 HE2 HIS B 1 -9.089 -10.385 -4.308 1.00 0.00 H new ATOM 1118 N ARG B 2 -6.041 -8.332 -8.728 1.00 0.00 N ATOM 1119 CA ARG B 2 -4.898 -7.748 -8.046 1.00 0.00 C ATOM 1120 C ARG B 2 -5.074 -6.232 -7.920 1.00 0.00 C ATOM 1121 O ARG B 2 -5.961 -5.652 -8.544 1.00 0.00 O ATOM 1122 CB ARG B 2 -3.598 -8.043 -8.796 1.00 0.00 C ATOM 1123 CG ARG B 2 -2.824 -9.179 -8.126 1.00 0.00 C ATOM 1124 CD ARG B 2 -1.540 -8.660 -7.477 1.00 0.00 C ATOM 1125 NE ARG B 2 -1.134 -9.555 -6.370 1.00 0.00 N ATOM 1126 CZ ARG B 2 -1.901 -9.820 -5.292 1.00 0.00 C ATOM 1127 NH1 ARG B 2 -3.123 -9.260 -5.164 1.00 0.00 N ATOM 1128 NH2 ARG B 2 -1.438 -10.636 -4.363 1.00 0.00 N ATOM 0 H ARG B 2 -6.610 -7.668 -9.253 1.00 0.00 H new ATOM 0 HA ARG B 2 -4.840 -8.195 -7.054 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -3.822 -8.311 -9.829 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -2.980 -7.146 -8.826 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -3.450 -9.655 -7.371 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -2.579 -9.942 -8.865 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.745 -8.603 -8.220 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.696 -7.649 -7.100 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.217 -9.999 -6.426 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.474 -8.631 -5.886 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.695 -9.466 -4.345 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.514 -11.055 -4.467 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -2.004 -10.847 -3.542 1.00 0.00 H new ATOM 1142 N TYR B 3 -4.214 -5.635 -7.108 1.00 0.00 N ATOM 1143 CA TYR B 3 -4.264 -4.200 -6.892 1.00 0.00 C ATOM 1144 C TYR B 3 -2.983 -3.525 -7.388 1.00 0.00 C ATOM 1145 O TYR B 3 -2.369 -2.741 -6.667 1.00 0.00 O ATOM 1146 CB TYR B 3 -4.373 -4.005 -5.378 1.00 0.00 C ATOM 1147 CG TYR B 3 -4.604 -5.301 -4.599 1.00 0.00 C ATOM 1148 CD1 TYR B 3 -3.535 -6.112 -4.278 1.00 0.00 C ATOM 1149 CD2 TYR B 3 -5.880 -5.659 -4.218 1.00 0.00 C ATOM 1150 CE1 TYR B 3 -3.750 -7.333 -3.545 1.00 0.00 C ATOM 1151 CE2 TYR B 3 -6.097 -6.878 -3.484 1.00 0.00 C ATOM 1152 CZ TYR B 3 -5.021 -7.655 -3.184 1.00 0.00 C ATOM 1153 OH TYR B 3 -5.225 -8.808 -2.490 1.00 0.00 O ATOM 0 H TYR B 3 -3.479 -6.119 -6.592 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.102 -3.760 -7.433 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.459 -3.533 -5.016 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -5.192 -3.316 -5.169 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.536 -5.831 -4.577 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.717 -5.025 -4.470 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.922 -7.977 -3.288 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -7.091 -7.169 -3.178 1.00 0.00 H new ATOM 0 HH TYR B 3 -5.716 -8.611 -1.665 1.00 0.00 H new ATOM 1163 N TYR B 4 -2.617 -3.856 -8.619 1.00 0.00 N ATOM 1164 CA TYR B 4 -1.421 -3.293 -9.220 1.00 0.00 C ATOM 1165 C TYR B 4 -1.512 -1.768 -9.300 1.00 0.00 C ATOM 1166 O TYR B 4 -2.374 -1.160 -8.668 1.00 0.00 O ATOM 1167 CB TYR B 4 -1.354 -3.863 -10.638 1.00 0.00 C ATOM 1168 CG TYR B 4 -0.363 -5.019 -10.799 1.00 0.00 C ATOM 1169 CD1 TYR B 4 -0.764 -6.313 -10.536 1.00 0.00 C ATOM 1170 CD2 TYR B 4 0.931 -4.766 -11.206 1.00 0.00 C ATOM 1171 CE1 TYR B 4 0.168 -7.401 -10.688 1.00 0.00 C ATOM 1172 CE2 TYR B 4 1.864 -5.853 -11.357 1.00 0.00 C ATOM 1173 CZ TYR B 4 1.437 -7.117 -11.091 1.00 0.00 C ATOM 1174 OH TYR B 4 2.317 -8.143 -11.232 1.00 0.00 O ATOM 0 H TYR B 4 -3.128 -4.507 -9.215 1.00 0.00 H new ATOM 0 HA TYR B 4 -0.541 -3.541 -8.627 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -2.347 -4.206 -10.928 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -1.079 -3.064 -11.327 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -1.777 -6.510 -10.216 1.00 0.00 H new ATOM 0 HD2 TYR B 4 1.244 -3.753 -11.411 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -0.133 -8.418 -10.487 1.00 0.00 H new ATOM 0 HE2 TYR B 4 2.880 -5.669 -11.674 1.00 0.00 H new ATOM 0 HH TYR B 4 3.072 -8.012 -10.621 1.00 0.00 H new ATOM 1184 N GLU B 5 -0.612 -1.194 -10.084 1.00 0.00 N ATOM 1185 CA GLU B 5 -0.581 0.249 -10.255 1.00 0.00 C ATOM 1186 C GLU B 5 -1.139 0.633 -11.626 1.00 0.00 C ATOM 1187 O GLU B 5 -0.626 1.543 -12.278 1.00 0.00 O ATOM 1188 CB GLU B 5 0.837 0.792 -10.069 1.00 0.00 C ATOM 1189 CG GLU B 5 1.632 0.711 -11.375 1.00 0.00 C ATOM 1190 CD GLU B 5 1.975 2.107 -11.895 1.00 0.00 C ATOM 1191 OE1 GLU B 5 2.490 2.943 -11.136 1.00 0.00 O ATOM 1192 OE2 GLU B 5 1.691 2.313 -13.136 1.00 0.00 O ATOM 0 H GLU B 5 0.101 -1.701 -10.608 1.00 0.00 H new ATOM 0 HA GLU B 5 -1.211 0.700 -9.489 1.00 0.00 H new ATOM 0 HB2 GLU B 5 0.792 1.827 -9.730 1.00 0.00 H new ATOM 0 HB3 GLU B 5 1.349 0.224 -9.292 1.00 0.00 H new ATOM 0 HG2 GLU B 5 2.549 0.144 -11.212 1.00 0.00 H new ATOM 0 HG3 GLU B 5 1.053 0.172 -12.125 1.00 0.00 H new ATOM 1200 N SER B 6 -2.183 -0.078 -12.025 1.00 0.00 N ATOM 1201 CA SER B 6 -2.818 0.177 -13.308 1.00 0.00 C ATOM 1202 C SER B 6 -4.322 -0.084 -13.209 1.00 0.00 C ATOM 1203 O SER B 6 -5.063 0.170 -14.157 1.00 0.00 O ATOM 1204 CB SER B 6 -2.199 -0.686 -14.409 1.00 0.00 C ATOM 1205 OG SER B 6 -2.747 -0.390 -15.690 1.00 0.00 O ATOM 0 H SER B 6 -2.606 -0.831 -11.483 1.00 0.00 H new ATOM 0 HA SER B 6 -2.655 1.223 -13.569 1.00 0.00 H new ATOM 0 HB2 SER B 6 -1.121 -0.528 -14.431 1.00 0.00 H new ATOM 0 HB3 SER B 6 -2.362 -1.739 -14.179 1.00 0.00 H new ATOM 0 HG SER B 6 -3.623 0.036 -15.581 1.00 0.00 H new ATOM 1211 N SER B 7 -4.728 -0.587 -12.052 1.00 0.00 N ATOM 1212 CA SER B 7 -6.131 -0.886 -11.819 1.00 0.00 C ATOM 1213 C SER B 7 -6.343 -1.287 -10.356 1.00 0.00 C ATOM 1214 O SER B 7 -5.381 -1.515 -9.626 1.00 0.00 O ATOM 1215 CB SER B 7 -6.621 -1.997 -12.749 1.00 0.00 C ATOM 1216 OG SER B 7 -7.890 -2.506 -12.350 1.00 0.00 O ATOM 0 H SER B 7 -4.111 -0.795 -11.267 1.00 0.00 H new ATOM 0 HA SER B 7 -6.712 0.011 -12.033 1.00 0.00 H new ATOM 0 HB2 SER B 7 -6.688 -1.614 -13.767 1.00 0.00 H new ATOM 0 HB3 SER B 7 -5.893 -2.808 -12.761 1.00 0.00 H new ATOM 0 HG SER B 7 -8.561 -1.794 -12.407 1.00 0.00 H new ATOM 1222 N LEU B 8 -7.609 -1.361 -9.975 1.00 0.00 N ATOM 1223 CA LEU B 8 -7.961 -1.729 -8.613 1.00 0.00 C ATOM 1224 C LEU B 8 -8.970 -2.878 -8.646 1.00 0.00 C ATOM 1225 O LEU B 8 -9.117 -3.607 -7.666 1.00 0.00 O ATOM 1226 CB LEU B 8 -8.447 -0.505 -7.835 1.00 0.00 C ATOM 1227 CG LEU B 8 -8.370 -0.607 -6.311 1.00 0.00 C ATOM 1228 CD1 LEU B 8 -9.541 -1.421 -5.758 1.00 0.00 C ATOM 1229 CD2 LEU B 8 -7.019 -1.169 -5.865 1.00 0.00 C ATOM 0 H LEU B 8 -8.404 -1.173 -10.585 1.00 0.00 H new ATOM 0 HA LEU B 8 -7.083 -2.090 -8.076 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -7.862 0.358 -8.152 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -9.482 -0.309 -8.115 1.00 0.00 H new ATOM 0 HG LEU B 8 -8.451 0.398 -5.897 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -9.463 -1.479 -4.672 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -10.480 -0.938 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -9.515 -2.427 -6.178 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -6.992 -1.231 -4.777 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -6.881 -2.164 -6.288 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -6.220 -0.513 -6.211 1.00 0.00 H new ATOM 1241 N GLU B 9 -9.639 -3.005 -9.782 1.00 0.00 N ATOM 1242 CA GLU B 9 -10.631 -4.053 -9.955 1.00 0.00 C ATOM 1243 C GLU B 9 -9.958 -5.351 -10.407 1.00 0.00 C ATOM 1244 O GLU B 9 -8.989 -5.322 -11.161 1.00 0.00 O ATOM 1245 CB GLU B 9 -11.714 -3.623 -10.945 1.00 0.00 C ATOM 1246 CG GLU B 9 -12.121 -2.166 -10.717 1.00 0.00 C ATOM 1247 CD GLU B 9 -13.624 -2.050 -10.460 1.00 0.00 C ATOM 1248 OE1 GLU B 9 -14.170 -2.790 -9.629 1.00 0.00 O ATOM 1249 OE2 GLU B 9 -14.229 -1.149 -11.159 1.00 0.00 O ATOM 0 H GLU B 9 -9.514 -2.399 -10.593 1.00 0.00 H new ATOM 0 HA GLU B 9 -11.114 -4.233 -8.994 1.00 0.00 H new ATOM 0 HB2 GLU B 9 -11.349 -3.747 -11.965 1.00 0.00 H new ATOM 0 HB3 GLU B 9 -12.586 -4.268 -10.838 1.00 0.00 H new ATOM 0 HG2 GLU B 9 -11.571 -1.760 -9.868 1.00 0.00 H new ATOM 0 HG3 GLU B 9 -11.850 -1.569 -11.588 1.00 0.00 H new ATOM 1257 N PRO B 10 -10.514 -6.489 -9.911 1.00 0.00 N ATOM 1258 CA PRO B 10 -9.979 -7.794 -10.254 1.00 0.00 C ATOM 1259 C PRO B 10 -10.365 -8.186 -11.682 1.00 0.00 C ATOM 1260 O PRO B 10 -10.443 -9.372 -12.005 1.00 0.00 O ATOM 1261 CB PRO B 10 -10.543 -8.740 -9.205 1.00 0.00 C ATOM 1262 CG PRO B 10 -11.736 -8.022 -8.596 1.00 0.00 C ATOM 1263 CD PRO B 10 -11.665 -6.561 -9.013 1.00 0.00 C ATOM 0 HA PRO B 10 -8.889 -7.817 -10.246 1.00 0.00 H new ATOM 0 HB2 PRO B 10 -10.844 -9.686 -9.654 1.00 0.00 H new ATOM 0 HB3 PRO B 10 -9.796 -8.971 -8.445 1.00 0.00 H new ATOM 0 HG2 PRO B 10 -12.668 -8.472 -8.939 1.00 0.00 H new ATOM 0 HG3 PRO B 10 -11.720 -8.110 -7.510 1.00 0.00 H new ATOM 0 HD2 PRO B 10 -12.580 -6.247 -9.516 1.00 0.00 H new ATOM 0 HD3 PRO B 10 -11.536 -5.908 -8.150 1.00 0.00 H new ATOM 1271 N TRP B 11 -10.598 -7.169 -12.499 1.00 0.00 N ATOM 1272 CA TRP B 11 -10.974 -7.393 -13.884 1.00 0.00 C ATOM 1273 C TRP B 11 -9.982 -6.637 -14.771 1.00 0.00 C ATOM 1274 O TRP B 11 -9.605 -7.121 -15.838 1.00 0.00 O ATOM 1275 CB TRP B 11 -12.428 -6.984 -14.131 1.00 0.00 C ATOM 1276 CG TRP B 11 -13.234 -8.006 -14.934 1.00 0.00 C ATOM 1277 CD1 TRP B 11 -13.132 -8.296 -16.238 1.00 0.00 C ATOM 1278 CD2 TRP B 11 -14.276 -8.867 -14.429 1.00 0.00 C ATOM 1279 NE1 TRP B 11 -14.029 -9.277 -16.610 1.00 0.00 N ATOM 1280 CE2 TRP B 11 -14.748 -9.635 -15.475 1.00 0.00 C ATOM 1281 CE3 TRP B 11 -14.805 -8.993 -13.132 1.00 0.00 C ATOM 1282 CZ2 TRP B 11 -15.769 -10.582 -15.331 1.00 0.00 C ATOM 1283 CZ3 TRP B 11 -15.824 -9.943 -13.006 1.00 0.00 C ATOM 1284 CH2 TRP B 11 -16.309 -10.724 -14.049 1.00 0.00 C ATOM 0 H TRP B 11 -10.534 -6.188 -12.228 1.00 0.00 H new ATOM 0 HA TRP B 11 -10.924 -8.454 -14.130 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -12.918 -6.824 -13.170 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -12.442 -6.030 -14.659 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -12.435 -7.822 -16.913 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -14.143 -9.667 -17.545 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -14.452 -8.403 -12.299 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -16.121 -11.171 -16.165 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -16.265 -10.079 -12.030 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -17.100 -11.438 -13.870 1.00 0.00 H new ATOM 1295 N TYR B 12 -9.589 -5.464 -14.297 1.00 0.00 N ATOM 1296 CA TYR B 12 -8.648 -4.637 -15.035 1.00 0.00 C ATOM 1297 C TYR B 12 -7.214 -4.886 -14.564 1.00 0.00 C ATOM 1298 O TYR B 12 -6.280 -4.850 -15.364 1.00 0.00 O ATOM 1299 CB TYR B 12 -9.031 -3.187 -14.727 1.00 0.00 C ATOM 1300 CG TYR B 12 -10.200 -2.662 -15.561 1.00 0.00 C ATOM 1301 CD1 TYR B 12 -11.370 -3.389 -15.644 1.00 0.00 C ATOM 1302 CD2 TYR B 12 -10.086 -1.459 -16.230 1.00 0.00 C ATOM 1303 CE1 TYR B 12 -12.472 -2.894 -16.429 1.00 0.00 C ATOM 1304 CE2 TYR B 12 -11.187 -0.965 -17.015 1.00 0.00 C ATOM 1305 CZ TYR B 12 -12.325 -1.706 -17.076 1.00 0.00 C ATOM 1306 OH TYR B 12 -13.365 -1.238 -17.817 1.00 0.00 O ATOM 0 H TYR B 12 -9.904 -5.066 -13.412 1.00 0.00 H new ATOM 0 HA TYR B 12 -8.690 -4.863 -16.101 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -9.287 -3.106 -13.670 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -8.163 -2.549 -14.895 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -11.460 -4.329 -15.120 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -9.171 -0.889 -16.164 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -13.393 -3.453 -16.502 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -11.111 -0.026 -17.544 1.00 0.00 H new ATOM 0 HH TYR B 12 -13.119 -0.380 -18.221 1.00 0.00 H new ATOM 1316 N PRO B 13 -7.081 -5.136 -13.235 1.00 0.00 N ATOM 1317 CA PRO B 13 -5.777 -5.390 -12.648 1.00 0.00 C ATOM 1318 C PRO B 13 -5.281 -6.795 -12.998 1.00 0.00 C ATOM 1319 O PRO B 13 -4.096 -6.992 -13.259 1.00 0.00 O ATOM 1320 CB PRO B 13 -5.969 -5.183 -11.154 1.00 0.00 C ATOM 1321 CG PRO B 13 -7.467 -5.277 -10.911 1.00 0.00 C ATOM 1322 CD PRO B 13 -8.164 -5.185 -12.258 1.00 0.00 C ATOM 0 HA PRO B 13 -5.007 -4.722 -13.033 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -5.432 -5.940 -10.582 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -5.582 -4.213 -10.841 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -7.715 -6.216 -10.416 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -7.798 -4.473 -10.254 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -8.812 -6.045 -12.428 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -8.792 -4.296 -12.319 1.00 0.00 H new ATOM 1330 N ASP B 14 -6.215 -7.735 -12.991 1.00 0.00 N ATOM 1331 CA ASP B 14 -5.889 -9.116 -13.305 1.00 0.00 C ATOM 1332 C ASP B 14 -7.175 -9.943 -13.345 1.00 0.00 C ATOM 1333 O ASP B 14 -7.825 -10.035 -14.386 1.00 0.00 O ATOM 1334 CB ASP B 14 -4.973 -9.720 -12.238 1.00 0.00 C ATOM 1335 CG ASP B 14 -5.000 -11.248 -12.152 1.00 0.00 C ATOM 1336 OD1 ASP B 14 -5.388 -11.935 -13.109 1.00 0.00 O ATOM 1337 OD2 ASP B 14 -4.597 -11.738 -11.030 1.00 0.00 O ATOM 0 H ASP B 14 -7.197 -7.567 -12.773 1.00 0.00 H new ATOM 0 HA ASP B 14 -5.382 -9.132 -14.270 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -3.950 -9.400 -12.436 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -5.253 -9.311 -11.267 1.00 0.00 H new