USER MOD reduce.3.24.130724 H: found=0, std=0, add=1428, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1422 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 81 THR OG1 : rot -4:sc= -0.456 USER MOD Set 1.2: B 74 MET CE :methyl -179:sc= -0.535 (180deg=-0.541) USER MOD Set 2.1: B 29 LYS NZ :NH3+ -152:sc= 1.24 (180deg=-0.0971) USER MOD Set 2.2: B 57 MET CE :methyl 148:sc= -0.521 (180deg=-2.1!) USER MOD Set 2.3: B 68 CYS SG : rot -50:sc= 0.725 USER MOD Set 3.1: A 85 HIS : no HD1:sc= -7.01! C(o=-19!,f=-30!) USER MOD Set 3.2: B 15 HIS : no HD1:sc= -7.14! C(o=-19!,f=-22!) USER MOD Set 3.3: B 25 HIS :FLIP no HE2:sc= -4.91 F(o=-21!,f=-19) USER MOD Set 4.1: A 42 HIS : no HD1:sc= -1.85! C(o=-1.2!,f=-9.6!) USER MOD Set 4.2: B 1 SER OG : rot 162:sc= 0.691 USER MOD Set 5.1: A 74 MET CE :methyl 180:sc= -0.502 (180deg=-0.502) USER MOD Set 5.2: B 81 THR OG1 : rot 1:sc= -0.336 USER MOD Set 6.1: A 29 LYS NZ :NH3+ -150:sc= 1.24 (180deg=-0.182) USER MOD Set 6.2: A 57 MET CE :methyl 147:sc= -0.493 (180deg=-2.05!) USER MOD Set 6.3: A 68 CYS SG : rot -47:sc= 0.702 USER MOD Set 7.1: A 15 HIS : no HD1:sc= -5.93! C(o=-17!,f=-20!) USER MOD Set 7.2: A 25 HIS :FLIP no HE2:sc= -4.87 F(o=-19!,f=-17) USER MOD Set 7.3: B 85 HIS : no HD1:sc= -6.66! C(o=-17!,f=-29!) USER MOD Set 8.1: A 1 SER OG : rot 161:sc= 0.642 USER MOD Set 8.2: B 42 HIS : no HD1:sc= -1.81! C(o=-1.2!,f=-10!) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 135:sc= -0.838 (180deg=-1.77) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -160:sc= -0.0378 (180deg=-0.403) USER MOD Single : A 16 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.2!) USER MOD Single : A 17 TYR OH : rot 30:sc= 0 USER MOD Single : A 18 SER OG : rot 113:sc= -5! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -134:sc= -0.175 (180deg=-2.17!) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -3.92! C(o=-3.9!,f=-6!) USER MOD Single : A 38 ASN : amide:sc= -2.17 K(o=-2.2,f=-7!) USER MOD Single : A 41 SER OG : rot -169:sc= -1.87 USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= -0.0276 (180deg=-0.306) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -5.2! C(o=-5.2!,f=-13!) USER MOD Single : A 78 SER OG : rot -175:sc= 0.506 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 169:sc= -0.62 USER MOD Single : A 84 CYS SG : rot -159:sc= 0.00582 USER MOD Single : A 90 HIS : no HD1:sc= -0.499 X(o=-0.5,f=-0.051) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ 132:sc= -0.933 (180deg=-1.84) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 MET CE :methyl -157:sc= -0.04 (180deg=-0.435) USER MOD Single : B 16 GLN : amide:sc= -1.42 X(o=-1.4,f=-1.3!) USER MOD Single : B 17 TYR OH : rot 30:sc= 0 USER MOD Single : B 18 SER OG : rot 106:sc= -5! USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ -136:sc= -0.167 (180deg=-1.96!) USER MOD Single : B 30 SER OG : rot 180:sc= 0.0103 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= -3.81! C(o=-3.8!,f=-6.3!) USER MOD Single : B 38 ASN : amide:sc= -2.27 K(o=-2.3,f=-7.4!) USER MOD Single : B 41 SER OG : rot -169:sc= -1.99! USER MOD Single : B 48 LYS NZ :NH3+ -161:sc= -0.0287 (180deg=-0.336) USER MOD Single : B 50 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= -5.16! C(o=-5.2!,f=-13!) USER MOD Single : B 78 SER OG : rot 179:sc= 0.558 USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 82 THR OG1 : rot 164:sc= -0.577 USER MOD Single : B 84 CYS SG : rot -159:sc= 0.0108 USER MOD Single : B 90 HIS : no HD1:sc= -0.538 X(o=-0.54,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -8.146 7.536 13.579 1.00 0.00 N ATOM 2 CA MET A 0 -7.544 6.861 14.764 1.00 0.00 C ATOM 3 C MET A 0 -7.939 5.382 14.771 1.00 0.00 C ATOM 4 O MET A 0 -8.108 4.787 15.816 1.00 0.00 O ATOM 5 CB MET A 0 -8.046 7.530 16.048 1.00 0.00 C ATOM 6 CG MET A 0 -9.577 7.508 16.079 1.00 0.00 C ATOM 7 SD MET A 0 -10.159 8.311 17.593 1.00 0.00 S ATOM 8 CE MET A 0 -11.917 7.912 17.414 1.00 0.00 C ATOM 0 H1 MET A 0 -8.560 8.445 13.870 1.00 0.00 H new ATOM 0 H2 MET A 0 -7.410 7.704 12.864 1.00 0.00 H new ATOM 0 H3 MET A 0 -8.889 6.931 13.175 1.00 0.00 H new ATOM 0 HA MET A 0 -6.459 6.945 14.712 1.00 0.00 H new ATOM 0 HB2 MET A 0 -7.648 7.010 16.920 1.00 0.00 H new ATOM 0 HB3 MET A 0 -7.687 8.558 16.098 1.00 0.00 H new ATOM 0 HG2 MET A 0 -9.977 8.022 15.205 1.00 0.00 H new ATOM 0 HG3 MET A 0 -9.938 6.480 16.037 1.00 0.00 H new ATOM 0 HE1 MET A 0 -12.471 8.322 18.259 1.00 0.00 H new ATOM 0 HE2 MET A 0 -12.296 8.344 16.488 1.00 0.00 H new ATOM 0 HE3 MET A 0 -12.044 6.830 17.388 1.00 0.00 H new ATOM 20 N SER A 1 -8.095 4.785 13.613 1.00 0.00 N ATOM 21 CA SER A 1 -8.488 3.340 13.542 1.00 0.00 C ATOM 22 C SER A 1 -7.304 2.496 13.069 1.00 0.00 C ATOM 23 O SER A 1 -6.208 2.986 12.880 1.00 0.00 O ATOM 24 CB SER A 1 -9.631 3.179 12.541 1.00 0.00 C ATOM 25 OG SER A 1 -9.301 3.864 11.339 1.00 0.00 O ATOM 0 H SER A 1 -7.966 5.239 12.709 1.00 0.00 H new ATOM 0 HA SER A 1 -8.800 3.009 14.533 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.804 2.123 12.336 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.555 3.578 12.959 1.00 0.00 H new ATOM 0 HG SER A 1 -9.860 3.529 10.607 1.00 0.00 H new ATOM 31 N GLU A 2 -7.533 1.229 12.866 1.00 0.00 N ATOM 32 CA GLU A 2 -6.444 0.330 12.389 1.00 0.00 C ATOM 33 C GLU A 2 -5.788 0.956 11.162 1.00 0.00 C ATOM 34 O GLU A 2 -4.619 0.763 10.898 1.00 0.00 O ATOM 35 CB GLU A 2 -7.040 -1.030 12.018 1.00 0.00 C ATOM 36 CG GLU A 2 -7.690 -1.655 13.253 1.00 0.00 C ATOM 37 CD GLU A 2 -7.978 -3.132 12.983 1.00 0.00 C ATOM 38 OE1 GLU A 2 -7.720 -3.572 11.876 1.00 0.00 O ATOM 39 OE2 GLU A 2 -8.453 -3.798 13.888 1.00 0.00 O ATOM 0 H GLU A 2 -8.434 0.774 13.011 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.699 0.195 13.173 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.779 -0.911 11.226 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.261 -1.687 11.632 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.031 -1.553 14.115 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.615 -1.131 13.495 1.00 0.00 H new ATOM 46 N LEU A 3 -6.534 1.706 10.404 1.00 0.00 N ATOM 47 CA LEU A 3 -5.956 2.339 9.189 1.00 0.00 C ATOM 48 C LEU A 3 -5.124 3.568 9.587 1.00 0.00 C ATOM 49 O LEU A 3 -4.195 3.938 8.903 1.00 0.00 O ATOM 50 CB LEU A 3 -7.105 2.749 8.240 1.00 0.00 C ATOM 51 CG LEU A 3 -7.273 1.735 7.084 1.00 0.00 C ATOM 52 CD1 LEU A 3 -6.182 1.954 6.027 1.00 0.00 C ATOM 53 CD2 LEU A 3 -7.208 0.282 7.607 1.00 0.00 C ATOM 0 H LEU A 3 -7.519 1.908 10.573 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.303 1.632 8.678 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.036 2.819 8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.905 3.739 7.831 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.252 1.896 6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.310 1.235 5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.259 2.966 5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.201 1.817 6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.329 -0.410 6.774 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.243 0.110 8.085 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.006 0.120 8.332 1.00 0.00 H new ATOM 65 N GLU A 4 -5.433 4.200 10.684 1.00 0.00 N ATOM 66 CA GLU A 4 -4.636 5.390 11.092 1.00 0.00 C ATOM 67 C GLU A 4 -3.282 4.924 11.623 1.00 0.00 C ATOM 68 O GLU A 4 -2.283 5.605 11.503 1.00 0.00 O ATOM 69 CB GLU A 4 -5.389 6.164 12.180 1.00 0.00 C ATOM 70 CG GLU A 4 -4.495 7.279 12.750 1.00 0.00 C ATOM 71 CD GLU A 4 -3.593 6.715 13.853 1.00 0.00 C ATOM 72 OE1 GLU A 4 -4.116 6.379 14.902 1.00 0.00 O ATOM 73 OE2 GLU A 4 -2.398 6.631 13.628 1.00 0.00 O ATOM 0 H GLU A 4 -6.196 3.947 11.311 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.483 6.046 10.235 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.301 6.594 11.766 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.690 5.485 12.978 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.886 7.710 11.955 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.113 8.083 13.150 1.00 0.00 H new ATOM 80 N LYS A 5 -3.247 3.760 12.205 1.00 0.00 N ATOM 81 CA LYS A 5 -1.968 3.223 12.748 1.00 0.00 C ATOM 82 C LYS A 5 -1.058 2.837 11.584 1.00 0.00 C ATOM 83 O LYS A 5 0.112 3.161 11.560 1.00 0.00 O ATOM 84 CB LYS A 5 -2.262 1.980 13.592 1.00 0.00 C ATOM 85 CG LYS A 5 -3.341 2.314 14.629 1.00 0.00 C ATOM 86 CD LYS A 5 -3.829 1.029 15.326 1.00 0.00 C ATOM 87 CE LYS A 5 -5.259 1.231 15.836 1.00 0.00 C ATOM 88 NZ LYS A 5 -5.758 -0.041 16.432 1.00 0.00 N ATOM 0 H LYS A 5 -4.056 3.151 12.329 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.481 3.978 13.365 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.597 1.163 12.953 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.354 1.642 14.091 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.942 3.008 15.369 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.179 2.813 14.144 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.796 0.191 14.630 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.168 0.780 16.156 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.282 2.027 16.580 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.908 1.541 15.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.729 0.095 16.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.750 -0.789 15.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.143 -0.318 17.224 1.00 0.00 H new ATOM 102 N ALA A 6 -1.591 2.136 10.624 1.00 0.00 N ATOM 103 CA ALA A 6 -0.763 1.714 9.458 1.00 0.00 C ATOM 104 C ALA A 6 -0.186 2.939 8.753 1.00 0.00 C ATOM 105 O ALA A 6 1.007 3.039 8.543 1.00 0.00 O ATOM 106 CB ALA A 6 -1.625 0.917 8.479 1.00 0.00 C ATOM 0 H ALA A 6 -2.565 1.836 10.595 1.00 0.00 H new ATOM 0 HA ALA A 6 0.057 1.090 9.812 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.018 0.609 7.627 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.022 0.034 8.980 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.450 1.539 8.131 1.00 0.00 H new ATOM 112 N MET A 7 -1.013 3.869 8.381 1.00 0.00 N ATOM 113 CA MET A 7 -0.488 5.077 7.685 1.00 0.00 C ATOM 114 C MET A 7 0.588 5.728 8.554 1.00 0.00 C ATOM 115 O MET A 7 1.593 6.195 8.061 1.00 0.00 O ATOM 116 CB MET A 7 -1.622 6.083 7.438 1.00 0.00 C ATOM 117 CG MET A 7 -2.648 5.504 6.448 1.00 0.00 C ATOM 118 SD MET A 7 -3.490 6.864 5.589 1.00 0.00 S ATOM 119 CE MET A 7 -5.201 6.405 5.979 1.00 0.00 C ATOM 0 H MET A 7 -2.023 3.849 8.526 1.00 0.00 H new ATOM 0 HA MET A 7 -0.064 4.781 6.726 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.113 6.325 8.380 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.212 7.013 7.044 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.149 4.857 5.727 1.00 0.00 H new ATOM 0 HG3 MET A 7 -3.375 4.889 6.978 1.00 0.00 H new ATOM 0 HE1 MET A 7 -5.877 6.886 5.272 1.00 0.00 H new ATOM 0 HE2 MET A 7 -5.312 5.323 5.909 1.00 0.00 H new ATOM 0 HE3 MET A 7 -5.443 6.730 6.991 1.00 0.00 H new ATOM 129 N VAL A 8 0.398 5.753 9.843 1.00 0.00 N ATOM 130 CA VAL A 8 1.426 6.371 10.729 1.00 0.00 C ATOM 131 C VAL A 8 2.681 5.495 10.708 1.00 0.00 C ATOM 132 O VAL A 8 3.777 5.955 10.455 1.00 0.00 O ATOM 133 CB VAL A 8 0.867 6.467 12.165 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.011 6.607 13.183 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.061 7.683 12.274 1.00 0.00 C ATOM 0 H VAL A 8 -0.420 5.375 10.321 1.00 0.00 H new ATOM 0 HA VAL A 8 1.677 7.373 10.380 1.00 0.00 H new ATOM 0 HB VAL A 8 0.311 5.555 12.384 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.597 6.673 14.189 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.666 5.738 13.117 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.583 7.509 12.966 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.455 7.750 13.288 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.498 8.589 12.041 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.886 7.575 11.570 1.00 0.00 H new ATOM 145 N ALA A 9 2.515 4.237 10.981 1.00 0.00 N ATOM 146 CA ALA A 9 3.675 3.310 10.993 1.00 0.00 C ATOM 147 C ALA A 9 4.489 3.455 9.699 1.00 0.00 C ATOM 148 O ALA A 9 5.705 3.375 9.711 1.00 0.00 O ATOM 149 CB ALA A 9 3.158 1.876 11.116 1.00 0.00 C ATOM 0 H ALA A 9 1.617 3.806 11.199 1.00 0.00 H new ATOM 0 HA ALA A 9 4.321 3.550 11.838 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.001 1.185 11.126 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.592 1.771 12.042 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.512 1.648 10.268 1.00 0.00 H new ATOM 155 N LEU A 10 3.842 3.654 8.579 1.00 0.00 N ATOM 156 CA LEU A 10 4.607 3.777 7.301 1.00 0.00 C ATOM 157 C LEU A 10 5.209 5.185 7.164 1.00 0.00 C ATOM 158 O LEU A 10 6.344 5.329 6.792 1.00 0.00 O ATOM 159 CB LEU A 10 3.675 3.470 6.110 1.00 0.00 C ATOM 160 CG LEU A 10 3.731 1.972 5.769 1.00 0.00 C ATOM 161 CD1 LEU A 10 3.217 1.150 6.955 1.00 0.00 C ATOM 162 CD2 LEU A 10 2.858 1.694 4.541 1.00 0.00 C ATOM 0 H LEU A 10 2.829 3.736 8.493 1.00 0.00 H new ATOM 0 HA LEU A 10 5.427 3.059 7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.652 3.757 6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.973 4.060 5.243 1.00 0.00 H new ATOM 0 HG LEU A 10 4.762 1.691 5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.259 0.089 6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.839 1.344 7.829 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.187 1.431 7.173 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.898 0.632 4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.828 1.979 4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.226 2.273 3.694 1.00 0.00 H new ATOM 174 N ILE A 11 4.464 6.218 7.435 1.00 0.00 N ATOM 175 CA ILE A 11 5.005 7.608 7.287 1.00 0.00 C ATOM 176 C ILE A 11 6.420 7.686 7.885 1.00 0.00 C ATOM 177 O ILE A 11 7.272 8.393 7.387 1.00 0.00 O ATOM 178 CB ILE A 11 4.076 8.581 8.041 1.00 0.00 C ATOM 179 CG1 ILE A 11 2.753 8.763 7.256 1.00 0.00 C ATOM 180 CG2 ILE A 11 4.772 9.941 8.241 1.00 0.00 C ATOM 181 CD1 ILE A 11 2.873 9.893 6.226 1.00 0.00 C ATOM 0 H ILE A 11 3.497 6.165 7.755 1.00 0.00 H new ATOM 0 HA ILE A 11 5.052 7.874 6.231 1.00 0.00 H new ATOM 0 HB ILE A 11 3.849 8.163 9.022 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.495 7.832 6.751 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.942 8.984 7.950 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.104 10.617 8.775 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.685 9.801 8.820 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.021 10.369 7.270 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.930 9.998 5.690 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.106 10.827 6.736 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.668 9.658 5.519 1.00 0.00 H new ATOM 193 N ASP A 12 6.674 6.973 8.947 1.00 0.00 N ATOM 194 CA ASP A 12 8.032 7.024 9.564 1.00 0.00 C ATOM 195 C ASP A 12 9.008 6.187 8.732 1.00 0.00 C ATOM 196 O ASP A 12 10.071 6.641 8.362 1.00 0.00 O ATOM 197 CB ASP A 12 7.969 6.477 10.992 1.00 0.00 C ATOM 198 CG ASP A 12 6.706 6.995 11.684 1.00 0.00 C ATOM 199 OD1 ASP A 12 6.306 8.108 11.386 1.00 0.00 O ATOM 200 OD2 ASP A 12 6.163 6.269 12.501 1.00 0.00 O ATOM 0 H ASP A 12 6.005 6.360 9.413 1.00 0.00 H new ATOM 0 HA ASP A 12 8.378 8.057 9.590 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.966 5.387 10.975 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.854 6.785 11.550 1.00 0.00 H new ATOM 205 N VAL A 13 8.654 4.968 8.436 1.00 0.00 N ATOM 206 CA VAL A 13 9.559 4.100 7.625 1.00 0.00 C ATOM 207 C VAL A 13 9.533 4.563 6.164 1.00 0.00 C ATOM 208 O VAL A 13 10.464 4.350 5.412 1.00 0.00 O ATOM 209 CB VAL A 13 9.094 2.637 7.738 1.00 0.00 C ATOM 210 CG1 VAL A 13 10.060 1.703 6.974 1.00 0.00 C ATOM 211 CG2 VAL A 13 9.051 2.246 9.226 1.00 0.00 C ATOM 0 H VAL A 13 7.776 4.533 8.720 1.00 0.00 H new ATOM 0 HA VAL A 13 10.581 4.174 7.997 1.00 0.00 H new ATOM 0 HB VAL A 13 8.102 2.535 7.298 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.717 0.672 7.064 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.084 1.987 5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.061 1.790 7.397 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.723 1.211 9.321 1.00 0.00 H new ATOM 0 HG22 VAL A 13 10.046 2.352 9.659 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.354 2.897 9.753 1.00 0.00 H new ATOM 221 N PHE A 14 8.461 5.183 5.764 1.00 0.00 N ATOM 222 CA PHE A 14 8.347 5.655 4.352 1.00 0.00 C ATOM 223 C PHE A 14 9.370 6.774 4.083 1.00 0.00 C ATOM 224 O PHE A 14 10.050 6.775 3.076 1.00 0.00 O ATOM 225 CB PHE A 14 6.914 6.152 4.110 1.00 0.00 C ATOM 226 CG PHE A 14 6.797 6.969 2.834 1.00 0.00 C ATOM 227 CD1 PHE A 14 7.616 6.714 1.720 1.00 0.00 C ATOM 228 CD2 PHE A 14 5.841 7.992 2.771 1.00 0.00 C ATOM 229 CE1 PHE A 14 7.475 7.482 0.557 1.00 0.00 C ATOM 230 CE2 PHE A 14 5.702 8.756 1.608 1.00 0.00 C ATOM 231 CZ PHE A 14 6.518 8.502 0.502 1.00 0.00 C ATOM 0 H PHE A 14 7.654 5.386 6.354 1.00 0.00 H new ATOM 0 HA PHE A 14 8.562 4.835 3.667 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.239 5.298 4.055 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.593 6.758 4.958 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.354 5.926 1.761 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.209 8.191 3.624 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.105 7.287 -0.298 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.964 9.543 1.564 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.410 9.093 -0.395 1.00 0.00 H new ATOM 241 N HIS A 15 9.483 7.728 4.964 1.00 0.00 N ATOM 242 CA HIS A 15 10.456 8.843 4.740 1.00 0.00 C ATOM 243 C HIS A 15 11.889 8.377 5.069 1.00 0.00 C ATOM 244 O HIS A 15 12.834 8.722 4.388 1.00 0.00 O ATOM 245 CB HIS A 15 10.053 10.040 5.642 1.00 0.00 C ATOM 246 CG HIS A 15 9.931 11.317 4.836 1.00 0.00 C ATOM 247 ND1 HIS A 15 10.302 12.548 5.354 1.00 0.00 N ATOM 248 CD2 HIS A 15 9.473 11.571 3.563 1.00 0.00 C ATOM 249 CE1 HIS A 15 10.063 13.476 4.408 1.00 0.00 C ATOM 250 NE2 HIS A 15 9.557 12.934 3.296 1.00 0.00 N ATOM 0 H HIS A 15 8.946 7.787 5.829 1.00 0.00 H new ATOM 0 HA HIS A 15 10.435 9.149 3.694 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.104 9.825 6.133 1.00 0.00 H new ATOM 0 HB3 HIS A 15 10.796 10.173 6.428 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.104 10.825 2.875 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.257 14.531 4.533 1.00 0.00 H new ATOM 0 HE2 HIS A 15 9.290 13.415 2.437 1.00 0.00 H new ATOM 258 N GLN A 16 12.055 7.617 6.114 1.00 0.00 N ATOM 259 CA GLN A 16 13.420 7.149 6.502 1.00 0.00 C ATOM 260 C GLN A 16 14.159 6.563 5.286 1.00 0.00 C ATOM 261 O GLN A 16 15.321 6.840 5.052 1.00 0.00 O ATOM 262 CB GLN A 16 13.268 6.075 7.604 1.00 0.00 C ATOM 263 CG GLN A 16 13.838 6.583 8.927 1.00 0.00 C ATOM 264 CD GLN A 16 12.988 7.747 9.443 1.00 0.00 C ATOM 265 OE1 GLN A 16 11.822 7.578 9.742 1.00 0.00 O ATOM 266 NE2 GLN A 16 13.525 8.931 9.562 1.00 0.00 N ATOM 0 H GLN A 16 11.301 7.296 6.722 1.00 0.00 H new ATOM 0 HA GLN A 16 14.006 7.989 6.874 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.216 5.820 7.729 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.784 5.163 7.305 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.852 5.777 9.661 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.870 6.907 8.789 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.503 9.075 9.312 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.966 9.712 9.905 1.00 0.00 H new ATOM 275 N TYR A 17 13.490 5.766 4.512 1.00 0.00 N ATOM 276 CA TYR A 17 14.145 5.161 3.307 1.00 0.00 C ATOM 277 C TYR A 17 13.942 6.072 2.105 1.00 0.00 C ATOM 278 O TYR A 17 14.889 6.521 1.491 1.00 0.00 O ATOM 279 CB TYR A 17 13.537 3.783 3.028 1.00 0.00 C ATOM 280 CG TYR A 17 14.125 2.775 3.989 1.00 0.00 C ATOM 281 CD1 TYR A 17 13.777 2.823 5.344 1.00 0.00 C ATOM 282 CD2 TYR A 17 15.020 1.801 3.530 1.00 0.00 C ATOM 283 CE1 TYR A 17 14.323 1.897 6.239 1.00 0.00 C ATOM 284 CE2 TYR A 17 15.565 0.874 4.426 1.00 0.00 C ATOM 285 CZ TYR A 17 15.218 0.922 5.780 1.00 0.00 C ATOM 286 OH TYR A 17 15.758 0.011 6.663 1.00 0.00 O ATOM 0 H TYR A 17 12.515 5.501 4.654 1.00 0.00 H new ATOM 0 HA TYR A 17 15.213 5.048 3.493 1.00 0.00 H new ATOM 0 HB2 TYR A 17 12.453 3.821 3.140 1.00 0.00 H new ATOM 0 HB3 TYR A 17 13.740 3.484 2.000 1.00 0.00 H new ATOM 0 HD1 TYR A 17 13.087 3.575 5.698 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.290 1.765 2.485 1.00 0.00 H new ATOM 0 HE1 TYR A 17 14.054 1.934 7.284 1.00 0.00 H new ATOM 0 HE2 TYR A 17 16.254 0.121 4.072 1.00 0.00 H new ATOM 0 HH TYR A 17 15.124 -0.153 7.392 1.00 0.00 H new ATOM 296 N SER A 18 12.722 6.362 1.763 1.00 0.00 N ATOM 297 CA SER A 18 12.482 7.259 0.603 1.00 0.00 C ATOM 298 C SER A 18 13.365 8.504 0.749 1.00 0.00 C ATOM 299 O SER A 18 13.757 9.118 -0.222 1.00 0.00 O ATOM 300 CB SER A 18 11.010 7.669 0.580 1.00 0.00 C ATOM 301 OG SER A 18 10.711 8.268 -0.671 1.00 0.00 O ATOM 0 H SER A 18 11.884 6.019 2.233 1.00 0.00 H new ATOM 0 HA SER A 18 12.726 6.744 -0.326 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.375 6.798 0.740 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.802 8.368 1.390 1.00 0.00 H new ATOM 0 HG SER A 18 10.094 7.693 -1.170 1.00 0.00 H new ATOM 307 N GLY A 19 13.672 8.877 1.969 1.00 0.00 N ATOM 308 CA GLY A 19 14.525 10.083 2.210 1.00 0.00 C ATOM 309 C GLY A 19 15.969 9.689 2.554 1.00 0.00 C ATOM 310 O GLY A 19 16.782 10.541 2.850 1.00 0.00 O ATOM 0 H GLY A 19 13.366 8.394 2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.521 10.717 1.323 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.103 10.672 3.024 1.00 0.00 H new ATOM 314 N ARG A 20 16.313 8.424 2.544 1.00 0.00 N ATOM 315 CA ARG A 20 17.718 8.062 2.902 1.00 0.00 C ATOM 316 C ARG A 20 18.704 8.653 1.889 1.00 0.00 C ATOM 317 O ARG A 20 19.786 9.070 2.251 1.00 0.00 O ATOM 318 CB ARG A 20 17.893 6.534 2.996 1.00 0.00 C ATOM 319 CG ARG A 20 17.619 5.833 1.633 1.00 0.00 C ATOM 320 CD ARG A 20 18.843 5.013 1.188 1.00 0.00 C ATOM 321 NE ARG A 20 20.073 5.846 1.307 1.00 0.00 N ATOM 322 CZ ARG A 20 21.246 5.277 1.371 1.00 0.00 C ATOM 323 NH1 ARG A 20 21.343 3.975 1.311 1.00 0.00 N ATOM 324 NH2 ARG A 20 22.320 6.007 1.498 1.00 0.00 N ATOM 0 H ARG A 20 15.698 7.644 2.310 1.00 0.00 H new ATOM 0 HA ARG A 20 17.932 8.487 3.883 1.00 0.00 H new ATOM 0 HB2 ARG A 20 18.906 6.304 3.325 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.215 6.137 3.751 1.00 0.00 H new ATOM 0 HG2 ARG A 20 16.751 5.180 1.722 1.00 0.00 H new ATOM 0 HG3 ARG A 20 17.380 6.580 0.876 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.937 4.118 1.803 1.00 0.00 H new ATOM 0 HD3 ARG A 20 18.715 4.680 0.158 1.00 0.00 H new ATOM 0 HE ARG A 20 19.998 6.863 1.338 1.00 0.00 H new ATOM 0 HH11 ARG A 20 20.503 3.405 1.214 1.00 0.00 H new ATOM 0 HH12 ARG A 20 22.259 3.529 1.361 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.243 7.023 1.547 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.236 5.562 1.548 1.00 0.00 H new ATOM 338 N GLU A 21 18.361 8.707 0.630 1.00 0.00 N ATOM 339 CA GLU A 21 19.324 9.290 -0.356 1.00 0.00 C ATOM 340 C GLU A 21 18.626 9.657 -1.668 1.00 0.00 C ATOM 341 O GLU A 21 17.518 9.239 -1.941 1.00 0.00 O ATOM 342 CB GLU A 21 20.431 8.272 -0.652 1.00 0.00 C ATOM 343 CG GLU A 21 19.849 7.079 -1.418 1.00 0.00 C ATOM 344 CD GLU A 21 20.867 5.938 -1.436 1.00 0.00 C ATOM 345 OE1 GLU A 21 21.982 6.158 -0.993 1.00 0.00 O ATOM 346 OE2 GLU A 21 20.515 4.864 -1.897 1.00 0.00 O ATOM 0 H GLU A 21 17.475 8.381 0.244 1.00 0.00 H new ATOM 0 HA GLU A 21 19.744 10.196 0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 21 21.222 8.741 -1.238 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.883 7.932 0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.924 6.747 -0.947 1.00 0.00 H new ATOM 0 HG3 GLU A 21 19.600 7.374 -2.437 1.00 0.00 H new ATOM 353 N GLY A 22 19.293 10.422 -2.492 1.00 0.00 N ATOM 354 CA GLY A 22 18.714 10.810 -3.810 1.00 0.00 C ATOM 355 C GLY A 22 17.625 11.868 -3.638 1.00 0.00 C ATOM 356 O GLY A 22 17.778 12.815 -2.895 1.00 0.00 O ATOM 0 H GLY A 22 20.223 10.797 -2.305 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.501 11.195 -4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.298 9.931 -4.302 1.00 0.00 H new ATOM 360 N ASP A 23 16.530 11.710 -4.340 1.00 0.00 N ATOM 361 CA ASP A 23 15.415 12.698 -4.250 1.00 0.00 C ATOM 362 C ASP A 23 14.986 12.869 -2.792 1.00 0.00 C ATOM 363 O ASP A 23 15.726 13.378 -1.974 1.00 0.00 O ATOM 364 CB ASP A 23 14.227 12.199 -5.077 1.00 0.00 C ATOM 365 CG ASP A 23 14.579 12.258 -6.564 1.00 0.00 C ATOM 366 OD1 ASP A 23 14.505 13.337 -7.127 1.00 0.00 O ATOM 367 OD2 ASP A 23 14.918 11.224 -7.113 1.00 0.00 O ATOM 0 H ASP A 23 16.361 10.931 -4.977 1.00 0.00 H new ATOM 0 HA ASP A 23 15.754 13.659 -4.637 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.976 11.177 -4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.348 12.811 -4.876 1.00 0.00 H new ATOM 372 N LYS A 24 13.795 12.457 -2.454 1.00 0.00 N ATOM 373 CA LYS A 24 13.346 12.614 -1.047 1.00 0.00 C ATOM 374 C LYS A 24 12.011 11.889 -0.834 1.00 0.00 C ATOM 375 O LYS A 24 11.617 11.644 0.289 1.00 0.00 O ATOM 376 CB LYS A 24 13.187 14.117 -0.741 1.00 0.00 C ATOM 377 CG LYS A 24 12.495 14.355 0.620 1.00 0.00 C ATOM 378 CD LYS A 24 13.272 13.692 1.771 1.00 0.00 C ATOM 379 CE LYS A 24 14.739 14.144 1.757 1.00 0.00 C ATOM 380 NZ LYS A 24 15.334 13.940 3.108 1.00 0.00 N ATOM 0 H LYS A 24 13.121 12.023 -3.085 1.00 0.00 H new ATOM 0 HA LYS A 24 14.085 12.177 -0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 24 14.167 14.593 -0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 24 12.605 14.590 -1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.412 15.426 0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.481 13.958 0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.814 13.953 2.725 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.218 12.607 1.677 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.298 13.578 1.012 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.804 15.195 1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.328 14.246 3.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.806 14.499 3.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.284 12.932 3.361 1.00 0.00 H new ATOM 394 N HIS A 25 11.287 11.569 -1.887 1.00 0.00 N ATOM 395 CA HIS A 25 9.957 10.895 -1.705 1.00 0.00 C ATOM 396 C HIS A 25 9.801 9.703 -2.654 1.00 0.00 C ATOM 397 O HIS A 25 8.708 9.388 -3.083 1.00 0.00 O ATOM 398 CB HIS A 25 8.856 11.945 -1.974 1.00 0.00 C ATOM 399 CG HIS A 25 7.678 11.731 -1.063 1.00 0.00 C ATOM 400 ND1 HIS A 25 6.336 11.604 -1.318 1.00 0.00 N flip ATOM 401 CD2 HIS A 25 7.815 11.628 0.315 1.00 0.00 C flip ATOM 402 CE1 HIS A 25 5.653 11.425 -0.123 1.00 0.00 C flip ATOM 403 NE2 HIS A 25 6.587 11.446 0.826 1.00 0.00 N flip ATOM 0 H HIS A 25 11.557 11.744 -2.855 1.00 0.00 H new ATOM 0 HA HIS A 25 9.878 10.507 -0.690 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.259 12.947 -1.825 1.00 0.00 H new ATOM 0 HB3 HIS A 25 8.534 11.882 -3.013 1.00 0.00 H new ATOM 0 HD1 HIS A 25 5.907 11.636 -2.243 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.738 11.684 0.872 1.00 0.00 H new ATOM 0 HE1 HIS A 25 4.589 11.296 0.009 1.00 0.00 H new ATOM 411 N LYS A 26 10.865 9.012 -2.959 1.00 0.00 N ATOM 412 CA LYS A 26 10.757 7.818 -3.847 1.00 0.00 C ATOM 413 C LYS A 26 11.735 6.761 -3.354 1.00 0.00 C ATOM 414 O LYS A 26 12.757 7.068 -2.775 1.00 0.00 O ATOM 415 CB LYS A 26 11.082 8.207 -5.293 1.00 0.00 C ATOM 416 CG LYS A 26 10.041 9.221 -5.807 1.00 0.00 C ATOM 417 CD LYS A 26 9.929 9.137 -7.334 1.00 0.00 C ATOM 418 CE LYS A 26 11.321 9.217 -7.967 1.00 0.00 C ATOM 419 NZ LYS A 26 11.194 9.667 -9.382 1.00 0.00 N ATOM 0 H LYS A 26 11.807 9.223 -2.631 1.00 0.00 H new ATOM 0 HA LYS A 26 9.741 7.424 -3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.081 8.639 -5.347 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.083 7.320 -5.927 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.071 9.020 -5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.328 10.230 -5.511 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.443 8.204 -7.620 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.304 9.949 -7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.948 9.911 -7.408 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.808 8.243 -7.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.138 9.722 -9.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.610 8.988 -9.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.745 10.605 -9.409 1.00 0.00 H new ATOM 433 N LEU A 27 11.425 5.513 -3.572 1.00 0.00 N ATOM 434 CA LEU A 27 12.336 4.420 -3.107 1.00 0.00 C ATOM 435 C LEU A 27 13.272 3.995 -4.245 1.00 0.00 C ATOM 436 O LEU A 27 12.872 3.823 -5.382 1.00 0.00 O ATOM 437 CB LEU A 27 11.510 3.186 -2.648 1.00 0.00 C ATOM 438 CG LEU A 27 11.313 3.163 -1.107 1.00 0.00 C ATOM 439 CD1 LEU A 27 10.104 4.011 -0.715 1.00 0.00 C ATOM 440 CD2 LEU A 27 11.090 1.720 -0.648 1.00 0.00 C ATOM 0 H LEU A 27 10.581 5.199 -4.052 1.00 0.00 H new ATOM 0 HA LEU A 27 12.922 4.797 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.537 3.198 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.015 2.273 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 27 12.203 3.573 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.978 3.986 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.261 5.040 -1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.210 3.613 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.951 1.699 0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.203 1.316 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 27 11.957 1.115 -0.914 1.00 0.00 H new ATOM 452 N LYS A 28 14.512 3.783 -3.901 1.00 0.00 N ATOM 453 CA LYS A 28 15.527 3.313 -4.892 1.00 0.00 C ATOM 454 C LYS A 28 15.867 1.854 -4.590 1.00 0.00 C ATOM 455 O LYS A 28 15.687 1.387 -3.485 1.00 0.00 O ATOM 456 CB LYS A 28 16.787 4.166 -4.790 1.00 0.00 C ATOM 457 CG LYS A 28 16.404 5.641 -4.930 1.00 0.00 C ATOM 458 CD LYS A 28 17.652 6.481 -5.208 1.00 0.00 C ATOM 459 CE LYS A 28 17.234 7.860 -5.715 1.00 0.00 C ATOM 460 NZ LYS A 28 16.359 7.712 -6.913 1.00 0.00 N ATOM 0 H LYS A 28 14.874 3.918 -2.957 1.00 0.00 H new ATOM 0 HA LYS A 28 15.125 3.401 -5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.281 3.995 -3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.495 3.886 -5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.685 5.763 -5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.918 5.987 -4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.246 6.580 -4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 28 18.280 5.985 -5.948 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.704 8.401 -4.931 1.00 0.00 H new ATOM 0 HE3 LYS A 28 18.116 8.448 -5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.669 8.374 -7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.422 6.738 -7.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.374 7.921 -6.652 1.00 0.00 H new ATOM 474 N LYS A 29 16.349 1.124 -5.557 1.00 0.00 N ATOM 475 CA LYS A 29 16.688 -0.307 -5.305 1.00 0.00 C ATOM 476 C LYS A 29 17.488 -0.426 -4.005 1.00 0.00 C ATOM 477 O LYS A 29 17.197 -1.249 -3.160 1.00 0.00 O ATOM 478 CB LYS A 29 17.505 -0.848 -6.479 1.00 0.00 C ATOM 479 CG LYS A 29 16.701 -0.667 -7.770 1.00 0.00 C ATOM 480 CD LYS A 29 17.286 -1.546 -8.875 1.00 0.00 C ATOM 481 CE LYS A 29 16.633 -1.177 -10.207 1.00 0.00 C ATOM 482 NZ LYS A 29 15.162 -1.397 -10.112 1.00 0.00 N ATOM 0 H LYS A 29 16.523 1.453 -6.507 1.00 0.00 H new ATOM 0 HA LYS A 29 15.772 -0.890 -5.208 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.456 -0.321 -6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.736 -1.902 -6.323 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.657 -0.930 -7.598 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.720 0.379 -8.077 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.365 -1.407 -8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.112 -2.598 -8.650 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.841 -0.135 -10.451 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.052 -1.783 -11.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.787 -1.648 -11.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.969 -2.170 -9.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.702 -0.527 -9.777 1.00 0.00 H new ATOM 496 N SER A 30 18.485 0.395 -3.831 1.00 0.00 N ATOM 497 CA SER A 30 19.286 0.327 -2.577 1.00 0.00 C ATOM 498 C SER A 30 18.339 0.384 -1.376 1.00 0.00 C ATOM 499 O SER A 30 18.727 0.128 -0.259 1.00 0.00 O ATOM 500 CB SER A 30 20.257 1.507 -2.517 1.00 0.00 C ATOM 501 OG SER A 30 20.897 1.658 -3.778 1.00 0.00 O ATOM 0 H SER A 30 18.779 1.107 -4.499 1.00 0.00 H new ATOM 0 HA SER A 30 19.854 -0.603 -2.557 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.721 2.420 -2.257 1.00 0.00 H new ATOM 0 HB3 SER A 30 21.000 1.341 -1.737 1.00 0.00 H new ATOM 0 HG SER A 30 21.518 2.415 -3.741 1.00 0.00 H new ATOM 507 N GLU A 31 17.090 0.702 -1.608 1.00 0.00 N ATOM 508 CA GLU A 31 16.101 0.761 -0.484 1.00 0.00 C ATOM 509 C GLU A 31 15.283 -0.523 -0.477 1.00 0.00 C ATOM 510 O GLU A 31 14.941 -1.037 0.563 1.00 0.00 O ATOM 511 CB GLU A 31 15.181 1.968 -0.658 1.00 0.00 C ATOM 512 CG GLU A 31 16.036 3.216 -0.881 1.00 0.00 C ATOM 513 CD GLU A 31 15.138 4.450 -0.955 1.00 0.00 C ATOM 514 OE1 GLU A 31 14.274 4.582 -0.104 1.00 0.00 O ATOM 515 OE2 GLU A 31 15.327 5.243 -1.861 1.00 0.00 O ATOM 0 H GLU A 31 16.710 0.924 -2.528 1.00 0.00 H new ATOM 0 HA GLU A 31 16.630 0.863 0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.512 1.813 -1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.554 2.094 0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.755 3.326 -0.069 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.609 3.116 -1.803 1.00 0.00 H new ATOM 522 N LEU A 32 14.984 -1.059 -1.624 1.00 0.00 N ATOM 523 CA LEU A 32 14.205 -2.325 -1.656 1.00 0.00 C ATOM 524 C LEU A 32 15.064 -3.418 -1.013 1.00 0.00 C ATOM 525 O LEU A 32 14.705 -4.006 -0.018 1.00 0.00 O ATOM 526 CB LEU A 32 13.883 -2.715 -3.119 1.00 0.00 C ATOM 527 CG LEU A 32 12.495 -2.200 -3.573 1.00 0.00 C ATOM 528 CD1 LEU A 32 11.397 -3.192 -3.160 1.00 0.00 C ATOM 529 CD2 LEU A 32 12.195 -0.807 -2.988 1.00 0.00 C ATOM 0 H LEU A 32 15.243 -0.679 -2.535 1.00 0.00 H new ATOM 0 HA LEU A 32 13.266 -2.203 -1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.651 -2.311 -3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.916 -3.800 -3.219 1.00 0.00 H new ATOM 0 HG LEU A 32 12.510 -2.115 -4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.427 -2.817 -3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.587 -4.159 -3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.397 -3.304 -2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.214 -0.474 -3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.206 -0.860 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.953 -0.100 -3.324 1.00 0.00 H new ATOM 541 N LYS A 33 16.203 -3.681 -1.582 1.00 0.00 N ATOM 542 CA LYS A 33 17.099 -4.721 -1.029 1.00 0.00 C ATOM 543 C LYS A 33 17.478 -4.372 0.414 1.00 0.00 C ATOM 544 O LYS A 33 17.656 -5.240 1.245 1.00 0.00 O ATOM 545 CB LYS A 33 18.344 -4.755 -1.904 1.00 0.00 C ATOM 546 CG LYS A 33 19.168 -6.013 -1.623 1.00 0.00 C ATOM 547 CD LYS A 33 20.534 -5.887 -2.327 1.00 0.00 C ATOM 548 CE LYS A 33 21.550 -5.212 -1.396 1.00 0.00 C ATOM 549 NZ LYS A 33 22.815 -4.954 -2.143 1.00 0.00 N ATOM 0 H LYS A 33 16.553 -3.212 -2.417 1.00 0.00 H new ATOM 0 HA LYS A 33 16.607 -5.693 -1.022 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.057 -4.730 -2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.950 -3.868 -1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 33 19.308 -6.139 -0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.640 -6.897 -1.981 1.00 0.00 H new ATOM 0 HD2 LYS A 33 20.895 -6.874 -2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.427 -5.306 -3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.143 -4.276 -1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.748 -5.849 -0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.504 -4.497 -1.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.205 -5.855 -2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 22.619 -4.331 -2.952 1.00 0.00 H new ATOM 563 N GLU A 34 17.619 -3.107 0.714 1.00 0.00 N ATOM 564 CA GLU A 34 18.007 -2.711 2.103 1.00 0.00 C ATOM 565 C GLU A 34 16.779 -2.681 3.012 1.00 0.00 C ATOM 566 O GLU A 34 16.834 -3.087 4.154 1.00 0.00 O ATOM 567 CB GLU A 34 18.663 -1.334 2.073 1.00 0.00 C ATOM 568 CG GLU A 34 19.248 -1.006 3.445 1.00 0.00 C ATOM 569 CD GLU A 34 20.015 0.315 3.359 1.00 0.00 C ATOM 570 OE1 GLU A 34 20.743 0.492 2.395 1.00 0.00 O ATOM 571 OE2 GLU A 34 19.856 1.130 4.253 1.00 0.00 O ATOM 0 H GLU A 34 17.483 -2.334 0.062 1.00 0.00 H new ATOM 0 HA GLU A 34 18.712 -3.443 2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.449 -1.313 1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 34 17.930 -0.578 1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.451 -0.931 4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.912 -1.806 3.772 1.00 0.00 H new ATOM 578 N LEU A 35 15.666 -2.224 2.515 1.00 0.00 N ATOM 579 CA LEU A 35 14.438 -2.196 3.361 1.00 0.00 C ATOM 580 C LEU A 35 13.946 -3.628 3.518 1.00 0.00 C ATOM 581 O LEU A 35 13.382 -4.004 4.527 1.00 0.00 O ATOM 582 CB LEU A 35 13.353 -1.347 2.677 1.00 0.00 C ATOM 583 CG LEU A 35 12.088 -1.261 3.562 1.00 0.00 C ATOM 584 CD1 LEU A 35 12.267 -0.195 4.643 1.00 0.00 C ATOM 585 CD2 LEU A 35 10.883 -0.887 2.695 1.00 0.00 C ATOM 0 H LEU A 35 15.551 -1.870 1.565 1.00 0.00 H new ATOM 0 HA LEU A 35 14.658 -1.759 4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.736 -0.345 2.483 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.098 -1.783 1.711 1.00 0.00 H new ATOM 0 HG LEU A 35 11.926 -2.230 4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.368 -0.146 5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.122 -0.452 5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.439 0.774 4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.991 -0.826 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.061 0.078 2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.738 -1.647 1.927 1.00 0.00 H new ATOM 597 N ILE A 36 14.159 -4.430 2.518 1.00 0.00 N ATOM 598 CA ILE A 36 13.710 -5.841 2.584 1.00 0.00 C ATOM 599 C ILE A 36 14.612 -6.617 3.555 1.00 0.00 C ATOM 600 O ILE A 36 14.152 -7.437 4.325 1.00 0.00 O ATOM 601 CB ILE A 36 13.780 -6.444 1.178 1.00 0.00 C ATOM 602 CG1 ILE A 36 12.655 -5.846 0.316 1.00 0.00 C ATOM 603 CG2 ILE A 36 13.600 -7.957 1.251 1.00 0.00 C ATOM 604 CD1 ILE A 36 12.928 -6.117 -1.166 1.00 0.00 C ATOM 0 H ILE A 36 14.628 -4.166 1.652 1.00 0.00 H new ATOM 0 HA ILE A 36 12.684 -5.899 2.946 1.00 0.00 H new ATOM 0 HB ILE A 36 14.751 -6.217 0.738 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.697 -6.280 0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.584 -4.772 0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.651 -8.378 0.247 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.390 -8.388 1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 36 12.630 -8.187 1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.126 -5.690 -1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.877 -5.662 -1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.976 -7.193 -1.336 1.00 0.00 H new ATOM 616 N ASN A 37 15.894 -6.370 3.514 1.00 0.00 N ATOM 617 CA ASN A 37 16.838 -7.096 4.419 1.00 0.00 C ATOM 618 C ASN A 37 16.888 -6.440 5.807 1.00 0.00 C ATOM 619 O ASN A 37 17.255 -7.069 6.778 1.00 0.00 O ATOM 620 CB ASN A 37 18.238 -7.072 3.806 1.00 0.00 C ATOM 621 CG ASN A 37 18.182 -7.614 2.376 1.00 0.00 C ATOM 622 OD1 ASN A 37 17.158 -8.104 1.941 1.00 0.00 O ATOM 623 ND2 ASN A 37 19.244 -7.545 1.622 1.00 0.00 N ATOM 0 H ASN A 37 16.332 -5.693 2.890 1.00 0.00 H new ATOM 0 HA ASN A 37 16.487 -8.122 4.532 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.628 -6.054 3.805 1.00 0.00 H new ATOM 0 HB3 ASN A 37 18.920 -7.674 4.407 1.00 0.00 H new ATOM 0 HD21 ASN A 37 19.216 -7.902 0.667 1.00 0.00 H new ATOM 0 HD22 ASN A 37 20.103 -7.134 1.987 1.00 0.00 H new ATOM 630 N ASN A 38 16.573 -5.171 5.905 1.00 0.00 N ATOM 631 CA ASN A 38 16.657 -4.478 7.238 1.00 0.00 C ATOM 632 C ASN A 38 15.292 -4.443 7.934 1.00 0.00 C ATOM 633 O ASN A 38 15.196 -4.671 9.124 1.00 0.00 O ATOM 634 CB ASN A 38 17.143 -3.041 7.034 1.00 0.00 C ATOM 635 CG ASN A 38 18.526 -3.052 6.382 1.00 0.00 C ATOM 636 OD1 ASN A 38 18.807 -3.877 5.535 1.00 0.00 O ATOM 637 ND2 ASN A 38 19.410 -2.160 6.742 1.00 0.00 N ATOM 0 H ASN A 38 16.263 -4.586 5.129 1.00 0.00 H new ATOM 0 HA ASN A 38 17.355 -5.034 7.865 1.00 0.00 H new ATOM 0 HB2 ASN A 38 16.439 -2.494 6.407 1.00 0.00 H new ATOM 0 HB3 ASN A 38 17.186 -2.522 7.992 1.00 0.00 H new ATOM 0 HD21 ASN A 38 20.335 -2.156 6.312 1.00 0.00 H new ATOM 0 HD22 ASN A 38 19.175 -1.467 7.453 1.00 0.00 H new ATOM 644 N GLU A 39 14.240 -4.138 7.220 1.00 0.00 N ATOM 645 CA GLU A 39 12.885 -4.065 7.864 1.00 0.00 C ATOM 646 C GLU A 39 12.106 -5.360 7.613 1.00 0.00 C ATOM 647 O GLU A 39 11.828 -6.115 8.523 1.00 0.00 O ATOM 648 CB GLU A 39 12.114 -2.882 7.265 1.00 0.00 C ATOM 649 CG GLU A 39 10.972 -2.478 8.203 1.00 0.00 C ATOM 650 CD GLU A 39 11.549 -1.819 9.457 1.00 0.00 C ATOM 651 OE1 GLU A 39 12.212 -0.803 9.318 1.00 0.00 O ATOM 652 OE2 GLU A 39 11.322 -2.342 10.536 1.00 0.00 O ATOM 0 H GLU A 39 14.255 -3.936 6.220 1.00 0.00 H new ATOM 0 HA GLU A 39 13.004 -3.931 8.939 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.787 -2.038 7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.715 -3.154 6.288 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.297 -1.789 7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.385 -3.355 8.477 1.00 0.00 H new ATOM 659 N LEU A 40 11.750 -5.620 6.387 1.00 0.00 N ATOM 660 CA LEU A 40 10.984 -6.862 6.080 1.00 0.00 C ATOM 661 C LEU A 40 11.946 -8.054 6.101 1.00 0.00 C ATOM 662 O LEU A 40 11.860 -8.951 5.287 1.00 0.00 O ATOM 663 CB LEU A 40 10.316 -6.742 4.696 1.00 0.00 C ATOM 664 CG LEU A 40 9.928 -5.280 4.418 1.00 0.00 C ATOM 665 CD1 LEU A 40 9.241 -5.182 3.051 1.00 0.00 C ATOM 666 CD2 LEU A 40 8.976 -4.779 5.511 1.00 0.00 C ATOM 0 H LEU A 40 11.956 -5.027 5.583 1.00 0.00 H new ATOM 0 HA LEU A 40 10.204 -7.008 6.827 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.997 -7.098 3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.430 -7.375 4.656 1.00 0.00 H new ATOM 0 HG LEU A 40 10.827 -4.664 4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.967 -4.145 2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.923 -5.529 2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.344 -5.801 3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.704 -3.743 5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.077 -5.395 5.521 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.470 -4.843 6.481 1.00 0.00 H new ATOM 678 N SER A 41 12.869 -8.064 7.025 1.00 0.00 N ATOM 679 CA SER A 41 13.848 -9.185 7.109 1.00 0.00 C ATOM 680 C SER A 41 13.274 -10.322 7.968 1.00 0.00 C ATOM 681 O SER A 41 13.757 -11.437 7.933 1.00 0.00 O ATOM 682 CB SER A 41 15.149 -8.650 7.741 1.00 0.00 C ATOM 683 OG SER A 41 15.121 -7.229 7.711 1.00 0.00 O ATOM 0 H SER A 41 12.987 -7.337 7.731 1.00 0.00 H new ATOM 0 HA SER A 41 14.052 -9.577 6.113 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.244 -9.004 8.767 1.00 0.00 H new ATOM 0 HB3 SER A 41 16.015 -9.022 7.194 1.00 0.00 H new ATOM 0 HG SER A 41 16.004 -6.879 7.951 1.00 0.00 H new ATOM 689 N HIS A 42 12.258 -10.050 8.747 1.00 0.00 N ATOM 690 CA HIS A 42 11.664 -11.110 9.620 1.00 0.00 C ATOM 691 C HIS A 42 10.398 -11.673 8.966 1.00 0.00 C ATOM 692 O HIS A 42 10.036 -12.812 9.180 1.00 0.00 O ATOM 693 CB HIS A 42 11.311 -10.490 10.978 1.00 0.00 C ATOM 694 CG HIS A 42 10.790 -9.095 10.765 1.00 0.00 C ATOM 695 ND1 HIS A 42 9.760 -8.817 9.876 1.00 0.00 N ATOM 696 CD2 HIS A 42 11.151 -7.887 11.309 1.00 0.00 C ATOM 697 CE1 HIS A 42 9.538 -7.489 9.914 1.00 0.00 C ATOM 698 NE2 HIS A 42 10.360 -6.880 10.770 1.00 0.00 N ATOM 0 H HIS A 42 11.812 -9.135 8.817 1.00 0.00 H new ATOM 0 HA HIS A 42 12.381 -11.920 9.756 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.561 -11.098 11.485 1.00 0.00 H new ATOM 0 HB3 HIS A 42 12.191 -10.468 11.621 1.00 0.00 H new ATOM 0 HD2 HIS A 42 11.930 -7.742 12.043 1.00 0.00 H new ATOM 0 HE1 HIS A 42 8.788 -6.981 9.325 1.00 0.00 H new ATOM 0 HE2 HIS A 42 10.400 -5.883 10.984 1.00 0.00 H new ATOM 707 N PHE A 43 9.723 -10.885 8.166 1.00 0.00 N ATOM 708 CA PHE A 43 8.480 -11.372 7.492 1.00 0.00 C ATOM 709 C PHE A 43 8.836 -11.791 6.065 1.00 0.00 C ATOM 710 O PHE A 43 8.706 -12.943 5.698 1.00 0.00 O ATOM 711 CB PHE A 43 7.428 -10.235 7.477 1.00 0.00 C ATOM 712 CG PHE A 43 6.415 -10.446 8.589 1.00 0.00 C ATOM 713 CD1 PHE A 43 6.851 -10.587 9.911 1.00 0.00 C ATOM 714 CD2 PHE A 43 5.046 -10.505 8.294 1.00 0.00 C ATOM 715 CE1 PHE A 43 5.922 -10.788 10.938 1.00 0.00 C ATOM 716 CE2 PHE A 43 4.117 -10.705 9.322 1.00 0.00 C ATOM 717 CZ PHE A 43 4.555 -10.847 10.643 1.00 0.00 C ATOM 0 H PHE A 43 9.981 -9.922 7.950 1.00 0.00 H new ATOM 0 HA PHE A 43 8.062 -12.225 8.026 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.921 -9.271 7.602 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.921 -10.211 6.512 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.906 -10.541 10.139 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.708 -10.396 7.274 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.260 -10.898 11.958 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.062 -10.750 9.095 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.838 -11.002 11.436 1.00 0.00 H new ATOM 727 N LEU A 44 9.294 -10.876 5.257 1.00 0.00 N ATOM 728 CA LEU A 44 9.664 -11.250 3.866 1.00 0.00 C ATOM 729 C LEU A 44 11.012 -11.973 3.907 1.00 0.00 C ATOM 730 O LEU A 44 11.911 -11.583 4.625 1.00 0.00 O ATOM 731 CB LEU A 44 9.757 -9.988 2.998 1.00 0.00 C ATOM 732 CG LEU A 44 10.200 -10.338 1.566 1.00 0.00 C ATOM 733 CD1 LEU A 44 9.276 -11.412 0.965 1.00 0.00 C ATOM 734 CD2 LEU A 44 10.150 -9.069 0.695 1.00 0.00 C ATOM 0 H LEU A 44 9.427 -9.894 5.498 1.00 0.00 H new ATOM 0 HA LEU A 44 8.908 -11.906 3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.789 -9.488 2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.465 -9.288 3.441 1.00 0.00 H new ATOM 0 HG LEU A 44 11.217 -10.729 1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.603 -11.648 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.317 -12.312 1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.253 -11.038 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.463 -9.312 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.132 -8.680 0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.819 -8.316 1.111 1.00 0.00 H new ATOM 746 N GLU A 45 11.158 -13.034 3.164 1.00 0.00 N ATOM 747 CA GLU A 45 12.446 -13.784 3.191 1.00 0.00 C ATOM 748 C GLU A 45 13.616 -12.815 3.011 1.00 0.00 C ATOM 749 O GLU A 45 13.577 -11.921 2.189 1.00 0.00 O ATOM 750 CB GLU A 45 12.450 -14.824 2.072 1.00 0.00 C ATOM 751 CG GLU A 45 11.375 -15.873 2.362 1.00 0.00 C ATOM 752 CD GLU A 45 11.490 -17.017 1.354 1.00 0.00 C ATOM 753 OE1 GLU A 45 12.580 -17.231 0.853 1.00 0.00 O ATOM 754 OE2 GLU A 45 10.484 -17.663 1.104 1.00 0.00 O ATOM 0 H GLU A 45 10.445 -13.414 2.541 1.00 0.00 H new ATOM 0 HA GLU A 45 12.553 -14.288 4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.259 -14.345 1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.429 -15.298 2.002 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.490 -16.255 3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.385 -15.420 2.302 1.00 0.00 H new ATOM 761 N GLU A 46 14.656 -12.987 3.784 1.00 0.00 N ATOM 762 CA GLU A 46 15.832 -12.078 3.673 1.00 0.00 C ATOM 763 C GLU A 46 16.406 -12.154 2.257 1.00 0.00 C ATOM 764 O GLU A 46 17.088 -13.094 1.900 1.00 0.00 O ATOM 765 CB GLU A 46 16.902 -12.501 4.684 1.00 0.00 C ATOM 766 CG GLU A 46 18.083 -11.531 4.616 1.00 0.00 C ATOM 767 CD GLU A 46 19.032 -11.797 5.786 1.00 0.00 C ATOM 768 OE1 GLU A 46 18.761 -12.710 6.548 1.00 0.00 O ATOM 769 OE2 GLU A 46 20.014 -11.081 5.900 1.00 0.00 O ATOM 0 H GLU A 46 14.741 -13.720 4.489 1.00 0.00 H new ATOM 0 HA GLU A 46 15.520 -11.055 3.882 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.483 -12.510 5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.239 -13.515 4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.612 -11.652 3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.725 -10.502 4.652 1.00 0.00 H new ATOM 776 N ILE A 47 16.135 -11.166 1.450 1.00 0.00 N ATOM 777 CA ILE A 47 16.663 -11.171 0.058 1.00 0.00 C ATOM 778 C ILE A 47 18.162 -10.847 0.093 1.00 0.00 C ATOM 779 O ILE A 47 18.587 -9.877 0.691 1.00 0.00 O ATOM 780 CB ILE A 47 15.873 -10.126 -0.772 1.00 0.00 C ATOM 781 CG1 ILE A 47 14.637 -10.802 -1.401 1.00 0.00 C ATOM 782 CG2 ILE A 47 16.747 -9.515 -1.876 1.00 0.00 C ATOM 783 CD1 ILE A 47 13.724 -9.771 -2.090 1.00 0.00 C ATOM 0 H ILE A 47 15.569 -10.354 1.696 1.00 0.00 H new ATOM 0 HA ILE A 47 16.538 -12.149 -0.407 1.00 0.00 H new ATOM 0 HB ILE A 47 15.560 -9.322 -0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 47 14.959 -11.549 -2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 47 14.076 -11.329 -0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 47 16.164 -8.787 -2.440 1.00 0.00 H new ATOM 0 HG22 ILE A 47 17.608 -9.021 -1.427 1.00 0.00 H new ATOM 0 HG23 ILE A 47 17.090 -10.303 -2.547 1.00 0.00 H new ATOM 0 HD11 ILE A 47 12.863 -10.280 -2.523 1.00 0.00 H new ATOM 0 HD12 ILE A 47 13.383 -9.040 -1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.279 -9.263 -2.878 1.00 0.00 H new ATOM 795 N LYS A 48 18.964 -11.666 -0.545 1.00 0.00 N ATOM 796 CA LYS A 48 20.443 -11.442 -0.566 1.00 0.00 C ATOM 797 C LYS A 48 20.888 -11.126 -1.997 1.00 0.00 C ATOM 798 O LYS A 48 21.895 -10.482 -2.218 1.00 0.00 O ATOM 799 CB LYS A 48 21.150 -12.713 -0.093 1.00 0.00 C ATOM 800 CG LYS A 48 22.630 -12.411 0.158 1.00 0.00 C ATOM 801 CD LYS A 48 23.348 -13.691 0.590 1.00 0.00 C ATOM 802 CE LYS A 48 24.855 -13.439 0.646 1.00 0.00 C ATOM 803 NZ LYS A 48 25.393 -13.333 -0.739 1.00 0.00 N ATOM 0 H LYS A 48 18.652 -12.490 -1.058 1.00 0.00 H new ATOM 0 HA LYS A 48 20.696 -10.610 0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.683 -13.083 0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 48 21.050 -13.498 -0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.089 -12.012 -0.747 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.730 -11.648 0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.986 -14.011 1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 48 23.129 -14.497 -0.111 1.00 0.00 H new ATOM 0 HE2 LYS A 48 25.061 -12.522 1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 48 25.351 -14.250 1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 26.422 -13.484 -0.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 24.946 -14.053 -1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 25.188 -12.387 -1.120 1.00 0.00 H new ATOM 817 N GLU A 49 20.142 -11.577 -2.971 1.00 0.00 N ATOM 818 CA GLU A 49 20.509 -11.312 -4.397 1.00 0.00 C ATOM 819 C GLU A 49 19.719 -10.109 -4.908 1.00 0.00 C ATOM 820 O GLU A 49 18.687 -9.762 -4.374 1.00 0.00 O ATOM 821 CB GLU A 49 20.171 -12.538 -5.251 1.00 0.00 C ATOM 822 CG GLU A 49 20.997 -13.738 -4.781 1.00 0.00 C ATOM 823 CD GLU A 49 22.481 -13.478 -5.055 1.00 0.00 C ATOM 824 OE1 GLU A 49 22.933 -13.827 -6.133 1.00 0.00 O ATOM 825 OE2 GLU A 49 23.139 -12.934 -4.184 1.00 0.00 O ATOM 0 H GLU A 49 19.289 -12.121 -2.841 1.00 0.00 H new ATOM 0 HA GLU A 49 21.577 -11.106 -4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.107 -12.764 -5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 49 20.378 -12.330 -6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.838 -13.908 -3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.674 -14.641 -5.299 1.00 0.00 H new ATOM 832 N GLN A 50 20.202 -9.463 -5.937 1.00 0.00 N ATOM 833 CA GLN A 50 19.482 -8.275 -6.488 1.00 0.00 C ATOM 834 C GLN A 50 18.586 -8.706 -7.652 1.00 0.00 C ATOM 835 O GLN A 50 17.567 -8.103 -7.921 1.00 0.00 O ATOM 836 CB GLN A 50 20.504 -7.257 -6.997 1.00 0.00 C ATOM 837 CG GLN A 50 21.584 -7.041 -5.936 1.00 0.00 C ATOM 838 CD GLN A 50 22.594 -6.012 -6.446 1.00 0.00 C ATOM 839 OE1 GLN A 50 22.226 -5.060 -7.105 1.00 0.00 O ATOM 840 NE2 GLN A 50 23.859 -6.163 -6.168 1.00 0.00 N ATOM 0 H GLN A 50 21.066 -9.707 -6.421 1.00 0.00 H new ATOM 0 HA GLN A 50 18.870 -7.830 -5.703 1.00 0.00 H new ATOM 0 HB2 GLN A 50 20.956 -7.612 -7.923 1.00 0.00 H new ATOM 0 HB3 GLN A 50 20.010 -6.313 -7.225 1.00 0.00 H new ATOM 0 HG2 GLN A 50 21.133 -6.695 -5.006 1.00 0.00 H new ATOM 0 HG3 GLN A 50 22.087 -7.983 -5.715 1.00 0.00 H new ATOM 0 HE21 GLN A 50 24.168 -6.962 -5.615 1.00 0.00 H new ATOM 0 HE22 GLN A 50 24.540 -5.482 -6.504 1.00 0.00 H new ATOM 849 N GLU A 51 18.966 -9.737 -8.356 1.00 0.00 N ATOM 850 CA GLU A 51 18.151 -10.195 -9.512 1.00 0.00 C ATOM 851 C GLU A 51 16.704 -10.400 -9.081 1.00 0.00 C ATOM 852 O GLU A 51 15.790 -10.273 -9.871 1.00 0.00 O ATOM 853 CB GLU A 51 18.725 -11.502 -10.062 1.00 0.00 C ATOM 854 CG GLU A 51 20.023 -11.204 -10.819 1.00 0.00 C ATOM 855 CD GLU A 51 20.617 -12.506 -11.359 1.00 0.00 C ATOM 856 OE1 GLU A 51 21.251 -13.208 -10.589 1.00 0.00 O ATOM 857 OE2 GLU A 51 20.429 -12.775 -12.533 1.00 0.00 O ATOM 0 H GLU A 51 19.809 -10.283 -8.178 1.00 0.00 H new ATOM 0 HA GLU A 51 18.180 -9.436 -10.294 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.917 -12.200 -9.247 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.004 -11.979 -10.726 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.826 -10.515 -11.640 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.737 -10.715 -10.157 1.00 0.00 H new ATOM 864 N VAL A 52 16.469 -10.689 -7.835 1.00 0.00 N ATOM 865 CA VAL A 52 15.064 -10.859 -7.389 1.00 0.00 C ATOM 866 C VAL A 52 14.456 -9.477 -7.268 1.00 0.00 C ATOM 867 O VAL A 52 13.320 -9.247 -7.638 1.00 0.00 O ATOM 868 CB VAL A 52 15.028 -11.582 -6.041 1.00 0.00 C ATOM 869 CG1 VAL A 52 15.661 -12.969 -6.192 1.00 0.00 C ATOM 870 CG2 VAL A 52 15.817 -10.770 -5.008 1.00 0.00 C ATOM 0 H VAL A 52 17.180 -10.814 -7.114 1.00 0.00 H new ATOM 0 HA VAL A 52 14.500 -11.459 -8.103 1.00 0.00 H new ATOM 0 HB VAL A 52 13.995 -11.687 -5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 52 15.637 -13.486 -5.233 1.00 0.00 H new ATOM 0 HG12 VAL A 52 15.103 -13.545 -6.930 1.00 0.00 H new ATOM 0 HG13 VAL A 52 16.695 -12.863 -6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.793 -11.283 -4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.851 -10.667 -5.339 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.369 -9.782 -4.903 1.00 0.00 H new ATOM 880 N VAL A 53 15.217 -8.543 -6.789 1.00 0.00 N ATOM 881 CA VAL A 53 14.700 -7.161 -6.686 1.00 0.00 C ATOM 882 C VAL A 53 14.472 -6.678 -8.114 1.00 0.00 C ATOM 883 O VAL A 53 13.670 -5.810 -8.366 1.00 0.00 O ATOM 884 CB VAL A 53 15.716 -6.278 -5.904 1.00 0.00 C ATOM 885 CG1 VAL A 53 16.471 -5.310 -6.825 1.00 0.00 C ATOM 886 CG2 VAL A 53 14.990 -5.459 -4.835 1.00 0.00 C ATOM 0 H VAL A 53 16.175 -8.677 -6.464 1.00 0.00 H new ATOM 0 HA VAL A 53 13.763 -7.106 -6.132 1.00 0.00 H new ATOM 0 HB VAL A 53 16.436 -6.957 -5.446 1.00 0.00 H new ATOM 0 HG11 VAL A 53 17.168 -4.715 -6.235 1.00 0.00 H new ATOM 0 HG12 VAL A 53 17.022 -5.877 -7.575 1.00 0.00 H new ATOM 0 HG13 VAL A 53 15.759 -4.649 -7.320 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.711 -4.845 -4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.250 -4.815 -5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 53 14.491 -6.132 -4.137 1.00 0.00 H new ATOM 896 N ASP A 54 15.164 -7.266 -9.053 1.00 0.00 N ATOM 897 CA ASP A 54 14.961 -6.861 -10.469 1.00 0.00 C ATOM 898 C ASP A 54 13.660 -7.500 -10.942 1.00 0.00 C ATOM 899 O ASP A 54 12.903 -6.918 -11.692 1.00 0.00 O ATOM 900 CB ASP A 54 16.125 -7.347 -11.336 1.00 0.00 C ATOM 901 CG ASP A 54 17.391 -6.571 -10.970 1.00 0.00 C ATOM 902 OD1 ASP A 54 17.579 -5.494 -11.511 1.00 0.00 O ATOM 903 OD2 ASP A 54 18.150 -7.065 -10.153 1.00 0.00 O ATOM 0 H ASP A 54 15.854 -8.002 -8.901 1.00 0.00 H new ATOM 0 HA ASP A 54 14.914 -5.775 -10.551 1.00 0.00 H new ATOM 0 HB2 ASP A 54 16.284 -8.415 -11.185 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.891 -7.205 -12.391 1.00 0.00 H new ATOM 908 N LYS A 55 13.387 -8.693 -10.482 1.00 0.00 N ATOM 909 CA LYS A 55 12.119 -9.368 -10.879 1.00 0.00 C ATOM 910 C LYS A 55 10.962 -8.681 -10.150 1.00 0.00 C ATOM 911 O LYS A 55 10.028 -8.199 -10.761 1.00 0.00 O ATOM 912 CB LYS A 55 12.193 -10.855 -10.471 1.00 0.00 C ATOM 913 CG LYS A 55 10.786 -11.457 -10.259 1.00 0.00 C ATOM 914 CD LYS A 55 10.907 -12.935 -9.904 1.00 0.00 C ATOM 915 CE LYS A 55 9.602 -13.414 -9.264 1.00 0.00 C ATOM 916 NZ LYS A 55 9.683 -14.878 -9.003 1.00 0.00 N ATOM 0 H LYS A 55 13.985 -9.226 -9.851 1.00 0.00 H new ATOM 0 HA LYS A 55 11.966 -9.302 -11.956 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.718 -11.419 -11.242 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.773 -10.953 -9.554 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.268 -10.923 -9.462 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.189 -11.338 -11.163 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.121 -13.519 -10.799 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.739 -13.088 -9.217 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.423 -12.877 -8.332 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.761 -13.198 -9.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.796 -15.203 -8.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.834 -15.383 -9.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.476 -15.072 -8.359 1.00 0.00 H new ATOM 930 N VAL A 56 11.013 -8.652 -8.838 1.00 0.00 N ATOM 931 CA VAL A 56 9.912 -8.015 -8.056 1.00 0.00 C ATOM 932 C VAL A 56 9.556 -6.673 -8.705 1.00 0.00 C ATOM 933 O VAL A 56 8.400 -6.358 -8.908 1.00 0.00 O ATOM 934 CB VAL A 56 10.350 -7.859 -6.579 1.00 0.00 C ATOM 935 CG1 VAL A 56 11.038 -6.510 -6.341 1.00 0.00 C ATOM 936 CG2 VAL A 56 9.128 -7.966 -5.655 1.00 0.00 C ATOM 0 H VAL A 56 11.771 -9.043 -8.278 1.00 0.00 H new ATOM 0 HA VAL A 56 9.018 -8.639 -8.064 1.00 0.00 H new ATOM 0 HB VAL A 56 11.058 -8.657 -6.357 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.333 -6.432 -5.295 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.922 -6.436 -6.974 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.348 -5.702 -6.585 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.445 -7.855 -4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.415 -7.180 -5.902 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.656 -8.939 -5.788 1.00 0.00 H new ATOM 946 N MET A 57 10.540 -5.898 -9.068 1.00 0.00 N ATOM 947 CA MET A 57 10.243 -4.605 -9.744 1.00 0.00 C ATOM 948 C MET A 57 9.460 -4.915 -11.030 1.00 0.00 C ATOM 949 O MET A 57 8.550 -4.209 -11.401 1.00 0.00 O ATOM 950 CB MET A 57 11.575 -3.889 -10.088 1.00 0.00 C ATOM 951 CG MET A 57 11.652 -2.516 -9.413 1.00 0.00 C ATOM 952 SD MET A 57 11.596 -2.711 -7.617 1.00 0.00 S ATOM 953 CE MET A 57 12.329 -1.109 -7.192 1.00 0.00 C ATOM 0 H MET A 57 11.529 -6.102 -8.927 1.00 0.00 H new ATOM 0 HA MET A 57 9.655 -3.954 -9.097 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.416 -4.504 -9.766 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.660 -3.772 -11.168 1.00 0.00 H new ATOM 0 HG2 MET A 57 12.572 -2.009 -9.704 1.00 0.00 H new ATOM 0 HG3 MET A 57 10.824 -1.890 -9.746 1.00 0.00 H new ATOM 0 HE1 MET A 57 11.896 -0.746 -6.260 1.00 0.00 H new ATOM 0 HE2 MET A 57 13.406 -1.222 -7.071 1.00 0.00 H new ATOM 0 HE3 MET A 57 12.127 -0.393 -7.989 1.00 0.00 H new ATOM 963 N GLU A 58 9.815 -5.971 -11.707 1.00 0.00 N ATOM 964 CA GLU A 58 9.098 -6.330 -12.964 1.00 0.00 C ATOM 965 C GLU A 58 7.649 -6.673 -12.643 1.00 0.00 C ATOM 966 O GLU A 58 6.759 -6.491 -13.450 1.00 0.00 O ATOM 967 CB GLU A 58 9.767 -7.550 -13.608 1.00 0.00 C ATOM 968 CG GLU A 58 9.282 -7.693 -15.054 1.00 0.00 C ATOM 969 CD GLU A 58 9.976 -6.651 -15.935 1.00 0.00 C ATOM 970 OE1 GLU A 58 11.136 -6.852 -16.256 1.00 0.00 O ATOM 971 OE2 GLU A 58 9.334 -5.671 -16.276 1.00 0.00 O ATOM 0 H GLU A 58 10.572 -6.602 -11.444 1.00 0.00 H new ATOM 0 HA GLU A 58 9.135 -5.484 -13.651 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.851 -7.438 -13.586 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.528 -8.450 -13.042 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.497 -8.696 -15.422 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.201 -7.561 -15.100 1.00 0.00 H new ATOM 978 N THR A 59 7.409 -7.182 -11.473 1.00 0.00 N ATOM 979 CA THR A 59 6.024 -7.557 -11.088 1.00 0.00 C ATOM 980 C THR A 59 5.319 -6.365 -10.446 1.00 0.00 C ATOM 981 O THR A 59 4.109 -6.263 -10.484 1.00 0.00 O ATOM 982 CB THR A 59 6.083 -8.709 -10.086 1.00 0.00 C ATOM 983 OG1 THR A 59 6.601 -9.865 -10.730 1.00 0.00 O ATOM 984 CG2 THR A 59 4.678 -9.000 -9.561 1.00 0.00 C ATOM 0 H THR A 59 8.117 -7.356 -10.760 1.00 0.00 H new ATOM 0 HA THR A 59 5.471 -7.861 -11.977 1.00 0.00 H new ATOM 0 HB THR A 59 6.730 -8.437 -9.252 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.642 -10.606 -10.090 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.720 -9.822 -8.846 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.282 -8.111 -9.070 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.029 -9.275 -10.392 1.00 0.00 H new ATOM 992 N LEU A 60 6.059 -5.476 -9.829 1.00 0.00 N ATOM 993 CA LEU A 60 5.431 -4.310 -9.153 1.00 0.00 C ATOM 994 C LEU A 60 5.637 -3.027 -9.970 1.00 0.00 C ATOM 995 O LEU A 60 4.751 -2.201 -10.049 1.00 0.00 O ATOM 996 CB LEU A 60 6.075 -4.157 -7.777 1.00 0.00 C ATOM 997 CG LEU A 60 5.248 -3.181 -6.946 1.00 0.00 C ATOM 998 CD1 LEU A 60 3.866 -3.792 -6.576 1.00 0.00 C ATOM 999 CD2 LEU A 60 6.028 -2.818 -5.677 1.00 0.00 C ATOM 0 H LEU A 60 7.076 -5.513 -9.767 1.00 0.00 H new ATOM 0 HA LEU A 60 4.358 -4.477 -9.059 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.129 -5.124 -7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.097 -3.793 -7.878 1.00 0.00 H new ATOM 0 HG LEU A 60 5.064 -2.282 -7.534 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.298 -3.075 -5.984 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.316 -4.027 -7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.014 -4.704 -5.997 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.443 -2.120 -5.078 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.221 -3.721 -5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.975 -2.354 -5.952 1.00 0.00 H new ATOM 1011 N ASP A 61 6.776 -2.837 -10.582 1.00 0.00 N ATOM 1012 CA ASP A 61 6.985 -1.595 -11.384 1.00 0.00 C ATOM 1013 C ASP A 61 5.929 -1.503 -12.469 1.00 0.00 C ATOM 1014 O ASP A 61 6.014 -2.137 -13.502 1.00 0.00 O ATOM 1015 CB ASP A 61 8.367 -1.632 -12.019 1.00 0.00 C ATOM 1016 CG ASP A 61 8.706 -0.258 -12.591 1.00 0.00 C ATOM 1017 OD1 ASP A 61 7.888 0.637 -12.463 1.00 0.00 O ATOM 1018 OD2 ASP A 61 9.779 -0.127 -13.151 1.00 0.00 O ATOM 0 H ASP A 61 7.566 -3.483 -10.562 1.00 0.00 H new ATOM 0 HA ASP A 61 6.906 -0.725 -10.732 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.111 -1.922 -11.277 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.395 -2.383 -12.809 1.00 0.00 H new ATOM 1023 N GLU A 62 4.936 -0.698 -12.240 1.00 0.00 N ATOM 1024 CA GLU A 62 3.859 -0.525 -13.250 1.00 0.00 C ATOM 1025 C GLU A 62 4.240 0.633 -14.152 1.00 0.00 C ATOM 1026 O GLU A 62 3.926 0.657 -15.325 1.00 0.00 O ATOM 1027 CB GLU A 62 2.535 -0.229 -12.542 1.00 0.00 C ATOM 1028 CG GLU A 62 1.967 -1.524 -11.959 1.00 0.00 C ATOM 1029 CD GLU A 62 0.671 -1.219 -11.207 1.00 0.00 C ATOM 1030 OE1 GLU A 62 -0.370 -1.208 -11.843 1.00 0.00 O ATOM 1031 OE2 GLU A 62 0.740 -1.004 -10.008 1.00 0.00 O ATOM 0 H GLU A 62 4.822 -0.147 -11.389 1.00 0.00 H new ATOM 0 HA GLU A 62 3.740 -1.433 -13.841 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.690 0.502 -11.749 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.825 0.208 -13.244 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.777 -2.242 -12.757 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.692 -1.981 -11.285 1.00 0.00 H new ATOM 1038 N ASP A 63 4.945 1.586 -13.615 1.00 0.00 N ATOM 1039 CA ASP A 63 5.381 2.735 -14.438 1.00 0.00 C ATOM 1040 C ASP A 63 6.655 2.322 -15.171 1.00 0.00 C ATOM 1041 O ASP A 63 7.177 3.051 -15.992 1.00 0.00 O ATOM 1042 CB ASP A 63 5.662 3.936 -13.528 1.00 0.00 C ATOM 1043 CG ASP A 63 4.567 4.031 -12.465 1.00 0.00 C ATOM 1044 OD1 ASP A 63 3.510 4.555 -12.778 1.00 0.00 O ATOM 1045 OD2 ASP A 63 4.800 3.578 -11.357 1.00 0.00 O ATOM 0 H ASP A 63 5.237 1.615 -12.638 1.00 0.00 H new ATOM 0 HA ASP A 63 4.609 3.017 -15.154 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.637 3.827 -13.053 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.694 4.853 -14.116 1.00 0.00 H new ATOM 1050 N GLY A 64 7.160 1.149 -14.878 1.00 0.00 N ATOM 1051 CA GLY A 64 8.400 0.693 -15.563 1.00 0.00 C ATOM 1052 C GLY A 64 9.506 1.703 -15.282 1.00 0.00 C ATOM 1053 O GLY A 64 10.251 2.083 -16.164 1.00 0.00 O ATOM 0 H GLY A 64 6.769 0.495 -14.200 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.689 -0.295 -15.205 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.230 0.606 -16.636 1.00 0.00 H new ATOM 1057 N ASP A 65 9.608 2.155 -14.056 1.00 0.00 N ATOM 1058 CA ASP A 65 10.660 3.163 -13.710 1.00 0.00 C ATOM 1059 C ASP A 65 11.802 2.489 -12.957 1.00 0.00 C ATOM 1060 O ASP A 65 12.804 3.104 -12.653 1.00 0.00 O ATOM 1061 CB ASP A 65 10.047 4.244 -12.820 1.00 0.00 C ATOM 1062 CG ASP A 65 9.354 3.588 -11.625 1.00 0.00 C ATOM 1063 OD1 ASP A 65 9.332 2.370 -11.573 1.00 0.00 O ATOM 1064 OD2 ASP A 65 8.859 4.316 -10.781 1.00 0.00 O ATOM 0 H ASP A 65 9.010 1.870 -13.281 1.00 0.00 H new ATOM 0 HA ASP A 65 11.045 3.606 -14.628 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.822 4.928 -12.474 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.331 4.836 -13.390 1.00 0.00 H new ATOM 1069 N GLY A 66 11.658 1.235 -12.634 1.00 0.00 N ATOM 1070 CA GLY A 66 12.744 0.546 -11.882 1.00 0.00 C ATOM 1071 C GLY A 66 12.751 1.096 -10.461 1.00 0.00 C ATOM 1072 O GLY A 66 13.538 0.700 -9.624 1.00 0.00 O ATOM 0 H GLY A 66 10.844 0.661 -12.855 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.578 -0.531 -11.873 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.708 0.716 -12.362 1.00 0.00 H new ATOM 1076 N GLU A 67 11.854 2.007 -10.193 1.00 0.00 N ATOM 1077 CA GLU A 67 11.741 2.615 -8.836 1.00 0.00 C ATOM 1078 C GLU A 67 10.289 2.479 -8.395 1.00 0.00 C ATOM 1079 O GLU A 67 9.424 2.188 -9.198 1.00 0.00 O ATOM 1080 CB GLU A 67 12.122 4.095 -8.904 1.00 0.00 C ATOM 1081 CG GLU A 67 13.639 4.223 -9.056 1.00 0.00 C ATOM 1082 CD GLU A 67 14.039 5.698 -8.973 1.00 0.00 C ATOM 1083 OE1 GLU A 67 13.224 6.533 -9.327 1.00 0.00 O ATOM 1084 OE2 GLU A 67 15.153 5.965 -8.556 1.00 0.00 O ATOM 0 H GLU A 67 11.181 2.362 -10.872 1.00 0.00 H new ATOM 0 HA GLU A 67 12.407 2.116 -8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.620 4.573 -9.745 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.791 4.609 -8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.143 3.654 -8.274 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.956 3.803 -10.010 1.00 0.00 H new ATOM 1091 N CYS A 68 10.008 2.664 -7.131 1.00 0.00 N ATOM 1092 CA CYS A 68 8.598 2.520 -6.644 1.00 0.00 C ATOM 1093 C CYS A 68 8.165 3.760 -5.863 1.00 0.00 C ATOM 1094 O CYS A 68 8.468 3.903 -4.695 1.00 0.00 O ATOM 1095 CB CYS A 68 8.505 1.295 -5.732 1.00 0.00 C ATOM 1096 SG CYS A 68 8.866 -0.198 -6.688 1.00 0.00 S ATOM 0 H CYS A 68 10.691 2.908 -6.414 1.00 0.00 H new ATOM 0 HA CYS A 68 7.941 2.402 -7.506 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.209 1.389 -4.905 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.508 1.228 -5.296 1.00 0.00 H new ATOM 0 HG CYS A 68 8.192 -0.175 -7.799 1.00 0.00 H new ATOM 1102 N ASP A 69 7.470 4.665 -6.507 1.00 0.00 N ATOM 1103 CA ASP A 69 7.012 5.895 -5.799 1.00 0.00 C ATOM 1104 C ASP A 69 6.210 5.470 -4.559 1.00 0.00 C ATOM 1105 O ASP A 69 6.291 4.341 -4.128 1.00 0.00 O ATOM 1106 CB ASP A 69 6.141 6.747 -6.740 1.00 0.00 C ATOM 1107 CG ASP A 69 6.595 6.538 -8.188 1.00 0.00 C ATOM 1108 OD1 ASP A 69 7.781 6.337 -8.392 1.00 0.00 O ATOM 1109 OD2 ASP A 69 5.749 6.582 -9.065 1.00 0.00 O ATOM 0 H ASP A 69 7.202 4.604 -7.489 1.00 0.00 H new ATOM 0 HA ASP A 69 7.868 6.496 -5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.093 6.469 -6.633 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.220 7.800 -6.472 1.00 0.00 H new ATOM 1114 N PHE A 70 5.440 6.343 -3.972 1.00 0.00 N ATOM 1115 CA PHE A 70 4.670 5.944 -2.757 1.00 0.00 C ATOM 1116 C PHE A 70 3.476 5.043 -3.123 1.00 0.00 C ATOM 1117 O PHE A 70 3.214 4.053 -2.468 1.00 0.00 O ATOM 1118 CB PHE A 70 4.165 7.210 -2.041 1.00 0.00 C ATOM 1119 CG PHE A 70 3.879 8.291 -3.061 1.00 0.00 C ATOM 1120 CD1 PHE A 70 2.663 8.302 -3.755 1.00 0.00 C ATOM 1121 CD2 PHE A 70 4.836 9.278 -3.316 1.00 0.00 C ATOM 1122 CE1 PHE A 70 2.407 9.298 -4.704 1.00 0.00 C ATOM 1123 CE2 PHE A 70 4.582 10.273 -4.267 1.00 0.00 C ATOM 1124 CZ PHE A 70 3.367 10.283 -4.960 1.00 0.00 C ATOM 0 H PHE A 70 5.310 7.308 -4.276 1.00 0.00 H new ATOM 0 HA PHE A 70 5.329 5.378 -2.099 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.262 6.983 -1.474 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.911 7.558 -1.327 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.922 7.541 -3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 70 5.773 9.273 -2.778 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.469 9.306 -5.239 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.324 11.033 -4.466 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.170 11.051 -5.693 1.00 0.00 H new ATOM 1134 N GLN A 71 2.734 5.390 -4.137 1.00 0.00 N ATOM 1135 CA GLN A 71 1.545 4.568 -4.503 1.00 0.00 C ATOM 1136 C GLN A 71 1.978 3.160 -4.910 1.00 0.00 C ATOM 1137 O GLN A 71 1.257 2.196 -4.712 1.00 0.00 O ATOM 1138 CB GLN A 71 0.746 5.238 -5.639 1.00 0.00 C ATOM 1139 CG GLN A 71 1.674 5.777 -6.735 1.00 0.00 C ATOM 1140 CD GLN A 71 2.389 4.616 -7.427 1.00 0.00 C ATOM 1141 OE1 GLN A 71 3.601 4.593 -7.503 1.00 0.00 O ATOM 1142 NE2 GLN A 71 1.683 3.649 -7.944 1.00 0.00 N ATOM 0 H GLN A 71 2.898 6.205 -4.728 1.00 0.00 H new ATOM 0 HA GLN A 71 0.897 4.494 -3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.051 4.518 -6.071 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.148 6.054 -5.233 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.098 6.347 -7.464 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.405 6.460 -6.302 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.665 3.670 -7.879 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.149 2.872 -8.413 1.00 0.00 H new ATOM 1151 N GLU A 72 3.154 3.010 -5.450 1.00 0.00 N ATOM 1152 CA GLU A 72 3.624 1.651 -5.845 1.00 0.00 C ATOM 1153 C GLU A 72 4.412 1.046 -4.686 1.00 0.00 C ATOM 1154 O GLU A 72 4.289 -0.121 -4.381 1.00 0.00 O ATOM 1155 CB GLU A 72 4.513 1.778 -7.085 1.00 0.00 C ATOM 1156 CG GLU A 72 4.958 0.394 -7.563 1.00 0.00 C ATOM 1157 CD GLU A 72 5.850 0.554 -8.790 1.00 0.00 C ATOM 1158 OE1 GLU A 72 5.327 0.883 -9.842 1.00 0.00 O ATOM 1159 OE2 GLU A 72 7.045 0.347 -8.659 1.00 0.00 O ATOM 0 H GLU A 72 3.811 3.768 -5.635 1.00 0.00 H new ATOM 0 HA GLU A 72 2.778 1.004 -6.077 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.969 2.287 -7.880 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.386 2.389 -6.854 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.499 -0.122 -6.770 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.089 -0.217 -7.807 1.00 0.00 H new ATOM 1166 N PHE A 73 5.218 1.828 -4.035 1.00 0.00 N ATOM 1167 CA PHE A 73 6.003 1.284 -2.896 1.00 0.00 C ATOM 1168 C PHE A 73 5.048 0.655 -1.898 1.00 0.00 C ATOM 1169 O PHE A 73 5.280 -0.424 -1.396 1.00 0.00 O ATOM 1170 CB PHE A 73 6.790 2.415 -2.232 1.00 0.00 C ATOM 1171 CG PHE A 73 7.356 1.990 -0.890 1.00 0.00 C ATOM 1172 CD1 PHE A 73 7.952 0.730 -0.719 1.00 0.00 C ATOM 1173 CD2 PHE A 73 7.310 2.886 0.187 1.00 0.00 C ATOM 1174 CE1 PHE A 73 8.492 0.376 0.521 1.00 0.00 C ATOM 1175 CE2 PHE A 73 7.858 2.531 1.419 1.00 0.00 C ATOM 1176 CZ PHE A 73 8.448 1.279 1.587 1.00 0.00 C ATOM 0 H PHE A 73 5.368 2.816 -4.239 1.00 0.00 H new ATOM 0 HA PHE A 73 6.705 0.529 -3.251 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.603 2.727 -2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.140 3.280 -2.096 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.993 0.035 -1.545 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.849 3.854 0.062 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.943 -0.596 0.655 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.825 3.227 2.244 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.872 1.006 2.542 1.00 0.00 H new ATOM 1186 N MET A 74 3.953 1.294 -1.624 1.00 0.00 N ATOM 1187 CA MET A 74 2.992 0.678 -0.685 1.00 0.00 C ATOM 1188 C MET A 74 2.587 -0.649 -1.318 1.00 0.00 C ATOM 1189 O MET A 74 2.544 -1.682 -0.680 1.00 0.00 O ATOM 1190 CB MET A 74 1.776 1.609 -0.514 1.00 0.00 C ATOM 1191 CG MET A 74 1.062 1.366 0.843 1.00 0.00 C ATOM 1192 SD MET A 74 1.347 2.763 1.965 1.00 0.00 S ATOM 1193 CE MET A 74 -0.099 2.501 3.025 1.00 0.00 C ATOM 0 H MET A 74 3.685 2.202 -2.003 1.00 0.00 H new ATOM 0 HA MET A 74 3.418 0.519 0.305 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.100 2.648 -0.575 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.073 1.446 -1.331 1.00 0.00 H new ATOM 0 HG2 MET A 74 -0.008 1.234 0.680 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.431 0.446 1.296 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.123 3.265 3.803 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.007 2.565 2.425 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.038 1.515 3.486 1.00 0.00 H new ATOM 1203 N ALA A 75 2.294 -0.608 -2.586 1.00 0.00 N ATOM 1204 CA ALA A 75 1.888 -1.858 -3.291 1.00 0.00 C ATOM 1205 C ALA A 75 2.936 -2.952 -3.035 1.00 0.00 C ATOM 1206 O ALA A 75 2.671 -4.123 -3.216 1.00 0.00 O ATOM 1207 CB ALA A 75 1.748 -1.591 -4.791 1.00 0.00 C ATOM 0 H ALA A 75 2.317 0.232 -3.164 1.00 0.00 H new ATOM 0 HA ALA A 75 0.924 -2.194 -2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.451 -2.509 -5.298 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.990 -0.825 -4.955 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.703 -1.248 -5.190 1.00 0.00 H new ATOM 1213 N PHE A 76 4.117 -2.589 -2.599 1.00 0.00 N ATOM 1214 CA PHE A 76 5.151 -3.636 -2.320 1.00 0.00 C ATOM 1215 C PHE A 76 4.794 -4.341 -1.015 1.00 0.00 C ATOM 1216 O PHE A 76 4.621 -5.544 -0.973 1.00 0.00 O ATOM 1217 CB PHE A 76 6.542 -3.001 -2.192 1.00 0.00 C ATOM 1218 CG PHE A 76 7.579 -4.083 -1.973 1.00 0.00 C ATOM 1219 CD1 PHE A 76 7.738 -4.652 -0.702 1.00 0.00 C ATOM 1220 CD2 PHE A 76 8.383 -4.514 -3.035 1.00 0.00 C ATOM 1221 CE1 PHE A 76 8.698 -5.649 -0.495 1.00 0.00 C ATOM 1222 CE2 PHE A 76 9.344 -5.513 -2.826 1.00 0.00 C ATOM 1223 CZ PHE A 76 9.500 -6.079 -1.555 1.00 0.00 C ATOM 0 H PHE A 76 4.408 -1.627 -2.426 1.00 0.00 H new ATOM 0 HA PHE A 76 5.171 -4.349 -3.144 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.778 -2.435 -3.093 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.556 -2.297 -1.360 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.119 -4.321 0.119 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.263 -4.077 -4.015 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.819 -6.086 0.485 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.964 -5.846 -3.645 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.241 -6.848 -1.394 1.00 0.00 H new ATOM 1233 N VAL A 77 4.661 -3.603 0.051 1.00 0.00 N ATOM 1234 CA VAL A 77 4.292 -4.234 1.349 1.00 0.00 C ATOM 1235 C VAL A 77 3.003 -5.026 1.157 1.00 0.00 C ATOM 1236 O VAL A 77 2.784 -6.055 1.765 1.00 0.00 O ATOM 1237 CB VAL A 77 4.053 -3.141 2.393 1.00 0.00 C ATOM 1238 CG1 VAL A 77 3.496 -3.770 3.668 1.00 0.00 C ATOM 1239 CG2 VAL A 77 5.367 -2.422 2.701 1.00 0.00 C ATOM 0 H VAL A 77 4.792 -2.592 0.080 1.00 0.00 H new ATOM 0 HA VAL A 77 5.094 -4.892 1.684 1.00 0.00 H new ATOM 0 HB VAL A 77 3.336 -2.418 2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.325 -2.993 4.413 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.554 -4.272 3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.210 -4.495 4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.191 -1.645 3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.091 -3.138 3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.757 -1.970 1.789 1.00 0.00 H new ATOM 1249 N SER A 78 2.151 -4.537 0.309 1.00 0.00 N ATOM 1250 CA SER A 78 0.860 -5.217 0.038 1.00 0.00 C ATOM 1251 C SER A 78 1.127 -6.592 -0.563 1.00 0.00 C ATOM 1252 O SER A 78 0.436 -7.551 -0.288 1.00 0.00 O ATOM 1253 CB SER A 78 0.069 -4.375 -0.956 1.00 0.00 C ATOM 1254 OG SER A 78 -1.284 -4.809 -0.974 1.00 0.00 O ATOM 0 H SER A 78 2.297 -3.677 -0.219 1.00 0.00 H new ATOM 0 HA SER A 78 0.296 -5.333 0.964 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.121 -3.322 -0.679 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.504 -4.464 -1.951 1.00 0.00 H new ATOM 0 HG SER A 78 -1.776 -4.317 -1.664 1.00 0.00 H new ATOM 1260 N MET A 79 2.135 -6.693 -1.375 1.00 0.00 N ATOM 1261 CA MET A 79 2.467 -8.000 -1.994 1.00 0.00 C ATOM 1262 C MET A 79 3.073 -8.904 -0.931 1.00 0.00 C ATOM 1263 O MET A 79 2.984 -10.113 -0.998 1.00 0.00 O ATOM 1264 CB MET A 79 3.464 -7.796 -3.144 1.00 0.00 C ATOM 1265 CG MET A 79 3.786 -9.148 -3.825 1.00 0.00 C ATOM 1266 SD MET A 79 3.866 -8.924 -5.623 1.00 0.00 S ATOM 1267 CE MET A 79 5.604 -8.433 -5.721 1.00 0.00 C ATOM 0 H MET A 79 2.748 -5.921 -1.639 1.00 0.00 H new ATOM 0 HA MET A 79 1.564 -8.460 -2.396 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.048 -7.103 -3.875 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.381 -7.346 -2.763 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.735 -9.536 -3.455 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.022 -9.884 -3.574 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.870 -8.243 -6.761 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.760 -7.527 -5.135 1.00 0.00 H new ATOM 0 HE3 MET A 79 6.231 -9.233 -5.327 1.00 0.00 H new ATOM 1277 N VAL A 80 3.659 -8.317 0.069 1.00 0.00 N ATOM 1278 CA VAL A 80 4.242 -9.115 1.168 1.00 0.00 C ATOM 1279 C VAL A 80 3.120 -9.393 2.133 1.00 0.00 C ATOM 1280 O VAL A 80 3.010 -10.465 2.697 1.00 0.00 O ATOM 1281 CB VAL A 80 5.332 -8.312 1.880 1.00 0.00 C ATOM 1282 CG1 VAL A 80 5.875 -9.116 3.064 1.00 0.00 C ATOM 1283 CG2 VAL A 80 6.469 -8.018 0.908 1.00 0.00 C ATOM 0 H VAL A 80 3.758 -7.307 0.170 1.00 0.00 H new ATOM 0 HA VAL A 80 4.688 -10.035 0.789 1.00 0.00 H new ATOM 0 HB VAL A 80 4.908 -7.375 2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.651 -8.541 3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.066 -9.325 3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.295 -10.055 2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.244 -7.446 1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.889 -8.956 0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.087 -7.442 0.065 1.00 0.00 H new ATOM 1293 N THR A 81 2.267 -8.430 2.321 1.00 0.00 N ATOM 1294 CA THR A 81 1.134 -8.638 3.240 1.00 0.00 C ATOM 1295 C THR A 81 0.213 -9.664 2.617 1.00 0.00 C ATOM 1296 O THR A 81 -0.364 -10.487 3.298 1.00 0.00 O ATOM 1297 CB THR A 81 0.375 -7.326 3.433 1.00 0.00 C ATOM 1298 OG1 THR A 81 1.264 -6.335 3.922 1.00 0.00 O ATOM 1299 CG2 THR A 81 -0.771 -7.529 4.428 1.00 0.00 C ATOM 0 H THR A 81 2.310 -7.513 1.877 1.00 0.00 H new ATOM 0 HA THR A 81 1.493 -8.981 4.210 1.00 0.00 H new ATOM 0 HB THR A 81 -0.038 -7.004 2.477 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.144 -6.736 4.083 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.308 -6.590 4.561 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.455 -8.287 4.046 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.367 -7.855 5.387 1.00 0.00 H new ATOM 1307 N THR A 82 0.040 -9.615 1.320 1.00 0.00 N ATOM 1308 CA THR A 82 -0.884 -10.586 0.673 1.00 0.00 C ATOM 1309 C THR A 82 -0.347 -12.008 0.794 1.00 0.00 C ATOM 1310 O THR A 82 -1.096 -12.932 1.039 1.00 0.00 O ATOM 1311 CB THR A 82 -1.036 -10.216 -0.794 1.00 0.00 C ATOM 1312 OG1 THR A 82 0.250 -10.067 -1.375 1.00 0.00 O ATOM 1313 CG2 THR A 82 -1.819 -8.895 -0.909 1.00 0.00 C ATOM 0 H THR A 82 0.494 -8.953 0.691 1.00 0.00 H new ATOM 0 HA THR A 82 -1.852 -10.545 1.173 1.00 0.00 H new ATOM 0 HB THR A 82 -1.580 -11.002 -1.319 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.164 -10.004 -2.349 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.929 -8.628 -1.960 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.805 -9.016 -0.460 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.278 -8.105 -0.388 1.00 0.00 H new ATOM 1321 N ALA A 83 0.935 -12.216 0.638 1.00 0.00 N ATOM 1322 CA ALA A 83 1.463 -13.597 0.764 1.00 0.00 C ATOM 1323 C ALA A 83 1.117 -14.117 2.153 1.00 0.00 C ATOM 1324 O ALA A 83 0.646 -15.225 2.316 1.00 0.00 O ATOM 1325 CB ALA A 83 2.984 -13.582 0.584 1.00 0.00 C ATOM 0 H ALA A 83 1.628 -11.496 0.432 1.00 0.00 H new ATOM 0 HA ALA A 83 1.023 -14.240 0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.371 -14.597 0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.230 -13.188 -0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.435 -12.950 1.349 1.00 0.00 H new ATOM 1331 N CYS A 84 1.331 -13.315 3.160 1.00 0.00 N ATOM 1332 CA CYS A 84 0.991 -13.766 4.538 1.00 0.00 C ATOM 1333 C CYS A 84 -0.526 -13.927 4.635 1.00 0.00 C ATOM 1334 O CYS A 84 -1.051 -14.459 5.594 1.00 0.00 O ATOM 1335 CB CYS A 84 1.468 -12.728 5.554 1.00 0.00 C ATOM 1336 SG CYS A 84 3.268 -12.825 5.714 1.00 0.00 S ATOM 0 H CYS A 84 1.723 -12.376 3.089 1.00 0.00 H new ATOM 0 HA CYS A 84 1.481 -14.716 4.752 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.174 -11.728 5.234 1.00 0.00 H new ATOM 0 HB3 CYS A 84 0.996 -12.905 6.520 1.00 0.00 H new ATOM 0 HG CYS A 84 3.632 -12.296 6.844 1.00 0.00 H new ATOM 1342 N HIS A 85 -1.231 -13.468 3.635 1.00 0.00 N ATOM 1343 CA HIS A 85 -2.721 -13.577 3.625 1.00 0.00 C ATOM 1344 C HIS A 85 -3.128 -14.740 2.714 1.00 0.00 C ATOM 1345 O HIS A 85 -3.995 -15.525 3.035 1.00 0.00 O ATOM 1346 CB HIS A 85 -3.298 -12.264 3.073 1.00 0.00 C ATOM 1347 CG HIS A 85 -4.761 -12.134 3.422 1.00 0.00 C ATOM 1348 ND1 HIS A 85 -5.303 -10.940 3.869 1.00 0.00 N ATOM 1349 CD2 HIS A 85 -5.805 -13.023 3.379 1.00 0.00 C ATOM 1350 CE1 HIS A 85 -6.615 -11.141 4.078 1.00 0.00 C ATOM 1351 NE2 HIS A 85 -6.975 -12.394 3.794 1.00 0.00 N ATOM 0 H HIS A 85 -0.832 -13.015 2.812 1.00 0.00 H new ATOM 0 HA HIS A 85 -3.100 -13.756 4.631 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -2.745 -11.418 3.482 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.173 -12.233 1.991 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -5.730 -14.055 3.070 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.295 -10.381 4.433 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -7.907 -12.803 3.866 1.00 0.00 H new ATOM 1359 N GLU A 86 -2.494 -14.856 1.581 1.00 0.00 N ATOM 1360 CA GLU A 86 -2.832 -15.960 0.637 1.00 0.00 C ATOM 1361 C GLU A 86 -2.382 -17.301 1.223 1.00 0.00 C ATOM 1362 O GLU A 86 -3.057 -18.303 1.094 1.00 0.00 O ATOM 1363 CB GLU A 86 -2.118 -15.702 -0.696 1.00 0.00 C ATOM 1364 CG GLU A 86 -2.316 -16.884 -1.652 1.00 0.00 C ATOM 1365 CD GLU A 86 -3.808 -17.177 -1.818 1.00 0.00 C ATOM 1366 OE1 GLU A 86 -4.473 -16.403 -2.486 1.00 0.00 O ATOM 1367 OE2 GLU A 86 -4.260 -18.172 -1.275 1.00 0.00 O ATOM 0 H GLU A 86 -1.752 -14.231 1.266 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.910 -15.996 0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.505 -14.790 -1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.054 -15.544 -0.520 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.871 -16.657 -2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.805 -17.765 -1.265 1.00 0.00 H new ATOM 1374 N PHE A 87 -1.247 -17.328 1.860 1.00 0.00 N ATOM 1375 CA PHE A 87 -0.749 -18.604 2.449 1.00 0.00 C ATOM 1376 C PHE A 87 -1.778 -19.145 3.445 1.00 0.00 C ATOM 1377 O PHE A 87 -2.273 -20.246 3.305 1.00 0.00 O ATOM 1378 CB PHE A 87 0.580 -18.346 3.167 1.00 0.00 C ATOM 1379 CG PHE A 87 1.248 -19.660 3.495 1.00 0.00 C ATOM 1380 CD1 PHE A 87 0.854 -20.381 4.629 1.00 0.00 C ATOM 1381 CD2 PHE A 87 2.266 -20.157 2.670 1.00 0.00 C ATOM 1382 CE1 PHE A 87 1.476 -21.598 4.937 1.00 0.00 C ATOM 1383 CE2 PHE A 87 2.887 -21.373 2.979 1.00 0.00 C ATOM 1384 CZ PHE A 87 2.493 -22.092 4.112 1.00 0.00 C ATOM 0 H PHE A 87 -0.640 -16.520 2.000 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.597 -19.337 1.657 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.233 -17.743 2.537 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.406 -17.778 4.081 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.070 -19.999 5.266 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.572 -19.602 1.796 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.171 -22.155 5.811 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.671 -21.756 2.342 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.974 -23.029 4.351 1.00 0.00 H new ATOM 1394 N PHE A 88 -2.110 -18.379 4.449 1.00 0.00 N ATOM 1395 CA PHE A 88 -3.112 -18.854 5.446 1.00 0.00 C ATOM 1396 C PHE A 88 -4.462 -19.053 4.755 1.00 0.00 C ATOM 1397 O PHE A 88 -5.248 -19.897 5.135 1.00 0.00 O ATOM 1398 CB PHE A 88 -3.259 -17.809 6.556 1.00 0.00 C ATOM 1399 CG PHE A 88 -3.987 -18.416 7.731 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -3.279 -19.156 8.687 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -5.369 -18.237 7.867 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -3.952 -19.717 9.777 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -6.044 -18.799 8.958 1.00 0.00 C ATOM 1404 CZ PHE A 88 -5.335 -19.539 9.914 1.00 0.00 C ATOM 0 H PHE A 88 -1.732 -17.448 4.622 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.779 -19.799 5.875 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.277 -17.455 6.868 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.807 -16.943 6.184 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.213 -19.293 8.582 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -5.915 -17.666 7.131 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.406 -20.288 10.513 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.110 -18.662 9.062 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.855 -19.972 10.756 1.00 0.00 H new ATOM 1414 N GLU A 89 -4.737 -18.277 3.740 1.00 0.00 N ATOM 1415 CA GLU A 89 -6.037 -18.408 3.016 1.00 0.00 C ATOM 1416 C GLU A 89 -5.876 -19.388 1.852 1.00 0.00 C ATOM 1417 O GLU A 89 -6.764 -19.557 1.041 1.00 0.00 O ATOM 1418 CB GLU A 89 -6.447 -17.025 2.492 1.00 0.00 C ATOM 1419 CG GLU A 89 -7.953 -16.985 2.215 1.00 0.00 C ATOM 1420 CD GLU A 89 -8.322 -15.632 1.598 1.00 0.00 C ATOM 1421 OE1 GLU A 89 -7.869 -14.619 2.115 1.00 0.00 O ATOM 1422 OE2 GLU A 89 -9.051 -15.630 0.621 1.00 0.00 O ATOM 0 H GLU A 89 -4.114 -17.554 3.379 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.807 -18.787 3.688 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.184 -16.260 3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -5.897 -16.797 1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.231 -17.793 1.539 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.508 -17.139 3.140 1.00 0.00 H new ATOM 1429 N HIS A 90 -4.751 -20.045 1.766 1.00 0.00 N ATOM 1430 CA HIS A 90 -4.548 -21.017 0.656 1.00 0.00 C ATOM 1431 C HIS A 90 -5.493 -22.202 0.859 1.00 0.00 C ATOM 1432 O HIS A 90 -5.246 -23.076 1.665 1.00 0.00 O ATOM 1433 CB HIS A 90 -3.099 -21.513 0.660 1.00 0.00 C ATOM 1434 CG HIS A 90 -2.915 -22.533 -0.431 1.00 0.00 C ATOM 1435 ND1 HIS A 90 -1.872 -23.449 -0.421 1.00 0.00 N ATOM 1436 CD2 HIS A 90 -3.632 -22.794 -1.573 1.00 0.00 C ATOM 1437 CE1 HIS A 90 -1.989 -24.210 -1.526 1.00 0.00 C ATOM 1438 NE2 HIS A 90 -3.044 -23.851 -2.259 1.00 0.00 N ATOM 0 H HIS A 90 -3.968 -19.951 2.413 1.00 0.00 H new ATOM 0 HA HIS A 90 -4.756 -20.533 -0.299 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -2.417 -20.676 0.509 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -2.856 -21.952 1.628 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -4.516 -22.261 -1.889 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -1.313 -25.011 -1.786 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -3.354 -24.265 -3.138 1.00 0.00 H new ATOM 1447 N GLU A 91 -6.579 -22.236 0.135 1.00 0.00 N ATOM 1448 CA GLU A 91 -7.541 -23.363 0.291 1.00 0.00 C ATOM 1449 C GLU A 91 -6.890 -24.661 -0.192 1.00 0.00 C ATOM 1450 O GLU A 91 -7.597 -25.648 -0.307 1.00 0.00 O ATOM 1451 CB GLU A 91 -8.797 -23.084 -0.537 1.00 0.00 C ATOM 1452 CG GLU A 91 -9.570 -21.916 0.081 1.00 0.00 C ATOM 1453 CD GLU A 91 -10.171 -22.351 1.420 1.00 0.00 C ATOM 1454 OE1 GLU A 91 -10.373 -23.542 1.597 1.00 0.00 O ATOM 1455 OE2 GLU A 91 -10.420 -21.486 2.245 1.00 0.00 O ATOM 1456 OXT GLU A 91 -5.695 -24.645 -0.436 1.00 0.00 O ATOM 0 H GLU A 91 -6.841 -21.533 -0.556 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.814 -23.462 1.342 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.522 -22.848 -1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.427 -23.973 -0.571 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.906 -21.064 0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.360 -21.591 -0.596 1.00 0.00 H new TER 1463 GLU A 91 ATOM 1464 N MET B 0 8.122 -7.835 13.380 1.00 0.00 N ATOM 1465 CA MET B 0 7.514 -7.195 14.581 1.00 0.00 C ATOM 1466 C MET B 0 7.909 -5.718 14.629 1.00 0.00 C ATOM 1467 O MET B 0 8.078 -5.152 15.691 1.00 0.00 O ATOM 1468 CB MET B 0 8.018 -7.900 15.846 1.00 0.00 C ATOM 1469 CG MET B 0 9.549 -7.873 15.882 1.00 0.00 C ATOM 1470 SD MET B 0 10.128 -8.719 17.376 1.00 0.00 S ATOM 1471 CE MET B 0 11.885 -8.315 17.208 1.00 0.00 C ATOM 0 H1 MET B 0 8.580 -8.727 13.656 1.00 0.00 H new ATOM 0 H2 MET B 0 7.380 -8.030 12.677 1.00 0.00 H new ATOM 0 H3 MET B 0 8.831 -7.195 12.967 1.00 0.00 H new ATOM 0 HA MET B 0 6.429 -7.278 14.526 1.00 0.00 H new ATOM 0 HB2 MET B 0 7.616 -7.408 16.732 1.00 0.00 H new ATOM 0 HB3 MET B 0 7.663 -8.930 15.865 1.00 0.00 H new ATOM 0 HG2 MET B 0 9.954 -8.360 14.995 1.00 0.00 H new ATOM 0 HG3 MET B 0 9.906 -6.843 15.872 1.00 0.00 H new ATOM 0 HE1 MET B 0 12.439 -8.748 18.041 1.00 0.00 H new ATOM 0 HE2 MET B 0 12.264 -8.721 16.270 1.00 0.00 H new ATOM 0 HE3 MET B 0 12.011 -7.232 17.211 1.00 0.00 H new ATOM 1483 N SER B 1 8.064 -5.090 13.489 1.00 0.00 N ATOM 1484 CA SER B 1 8.457 -3.645 13.459 1.00 0.00 C ATOM 1485 C SER B 1 7.276 -2.787 13.003 1.00 0.00 C ATOM 1486 O SER B 1 6.181 -3.270 12.797 1.00 0.00 O ATOM 1487 CB SER B 1 9.607 -3.459 12.473 1.00 0.00 C ATOM 1488 OG SER B 1 9.277 -4.089 11.241 1.00 0.00 O ATOM 0 H SER B 1 7.935 -5.518 12.572 1.00 0.00 H new ATOM 0 HA SER B 1 8.762 -3.340 14.460 1.00 0.00 H new ATOM 0 HB2 SER B 1 9.796 -2.397 12.313 1.00 0.00 H new ATOM 0 HB3 SER B 1 10.523 -3.888 12.880 1.00 0.00 H new ATOM 0 HG SER B 1 9.858 -3.744 10.531 1.00 0.00 H new ATOM 1494 N GLU B 2 7.507 -1.514 12.831 1.00 0.00 N ATOM 1495 CA GLU B 2 6.421 -0.601 12.375 1.00 0.00 C ATOM 1496 C GLU B 2 5.767 -1.190 11.128 1.00 0.00 C ATOM 1497 O GLU B 2 4.599 -0.980 10.865 1.00 0.00 O ATOM 1498 CB GLU B 2 7.024 0.764 12.044 1.00 0.00 C ATOM 1499 CG GLU B 2 7.665 1.357 13.301 1.00 0.00 C ATOM 1500 CD GLU B 2 7.946 2.843 13.076 1.00 0.00 C ATOM 1501 OE1 GLU B 2 7.693 3.312 11.981 1.00 0.00 O ATOM 1502 OE2 GLU B 2 8.410 3.486 14.004 1.00 0.00 O ATOM 0 H GLU B 2 8.409 -1.064 12.988 1.00 0.00 H new ATOM 0 HA GLU B 2 5.672 -0.487 13.159 1.00 0.00 H new ATOM 0 HB2 GLU B 2 7.770 0.662 11.256 1.00 0.00 H new ATOM 0 HB3 GLU B 2 6.251 1.433 11.667 1.00 0.00 H new ATOM 0 HG2 GLU B 2 7.002 1.227 14.156 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.591 0.832 13.532 1.00 0.00 H new ATOM 1509 N LEU B 3 6.514 -1.925 10.355 1.00 0.00 N ATOM 1510 CA LEU B 3 5.944 -2.525 9.118 1.00 0.00 C ATOM 1511 C LEU B 3 5.116 -3.766 9.480 1.00 0.00 C ATOM 1512 O LEU B 3 4.192 -4.119 8.783 1.00 0.00 O ATOM 1513 CB LEU B 3 7.102 -2.909 8.168 1.00 0.00 C ATOM 1514 CG LEU B 3 7.281 -1.863 7.043 1.00 0.00 C ATOM 1515 CD1 LEU B 3 6.192 -2.035 5.977 1.00 0.00 C ATOM 1516 CD2 LEU B 3 7.226 -0.428 7.615 1.00 0.00 C ATOM 0 H LEU B 3 7.497 -2.137 10.527 1.00 0.00 H new ATOM 0 HA LEU B 3 5.293 -1.806 8.620 1.00 0.00 H new ATOM 0 HB2 LEU B 3 8.028 -2.995 8.737 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.905 -3.887 7.729 1.00 0.00 H new ATOM 0 HG LEU B 3 8.258 -2.022 6.587 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.331 -1.292 5.192 1.00 0.00 H new ATOM 0 HD12 LEU B 3 6.259 -3.034 5.547 1.00 0.00 H new ATOM 0 HD13 LEU B 3 5.211 -1.901 6.434 1.00 0.00 H new ATOM 0 HD21 LEU B 3 7.354 0.291 6.806 1.00 0.00 H new ATOM 0 HD22 LEU B 3 6.262 -0.265 8.096 1.00 0.00 H new ATOM 0 HD23 LEU B 3 8.023 -0.297 8.347 1.00 0.00 H new ATOM 1528 N GLU B 4 5.422 -4.423 10.560 1.00 0.00 N ATOM 1529 CA GLU B 4 4.627 -5.626 10.931 1.00 0.00 C ATOM 1530 C GLU B 4 3.269 -5.177 11.469 1.00 0.00 C ATOM 1531 O GLU B 4 2.272 -5.854 11.325 1.00 0.00 O ATOM 1532 CB GLU B 4 5.376 -6.429 12.001 1.00 0.00 C ATOM 1533 CG GLU B 4 4.479 -7.561 12.536 1.00 0.00 C ATOM 1534 CD GLU B 4 3.572 -7.029 13.651 1.00 0.00 C ATOM 1535 OE1 GLU B 4 4.090 -6.722 14.712 1.00 0.00 O ATOM 1536 OE2 GLU B 4 2.376 -6.942 13.423 1.00 0.00 O ATOM 0 H GLU B 4 6.181 -4.184 11.198 1.00 0.00 H new ATOM 0 HA GLU B 4 4.481 -6.258 10.055 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.290 -6.847 11.580 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.673 -5.772 12.819 1.00 0.00 H new ATOM 0 HG2 GLU B 4 3.873 -7.969 11.727 1.00 0.00 H new ATOM 0 HG3 GLU B 4 5.095 -8.376 12.915 1.00 0.00 H new ATOM 1543 N LYS B 5 3.230 -4.031 12.086 1.00 0.00 N ATOM 1544 CA LYS B 5 1.948 -3.514 12.636 1.00 0.00 C ATOM 1545 C LYS B 5 1.044 -3.097 11.480 1.00 0.00 C ATOM 1546 O LYS B 5 -0.127 -3.419 11.440 1.00 0.00 O ATOM 1547 CB LYS B 5 2.232 -2.295 13.518 1.00 0.00 C ATOM 1548 CG LYS B 5 3.311 -2.653 14.547 1.00 0.00 C ATOM 1549 CD LYS B 5 3.791 -1.388 15.285 1.00 0.00 C ATOM 1550 CE LYS B 5 5.219 -1.600 15.792 1.00 0.00 C ATOM 1551 NZ LYS B 5 5.708 -0.346 16.429 1.00 0.00 N ATOM 0 H LYS B 5 4.037 -3.426 12.234 1.00 0.00 H new ATOM 0 HA LYS B 5 1.460 -4.289 13.228 1.00 0.00 H new ATOM 0 HB2 LYS B 5 2.563 -1.457 12.904 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.321 -1.979 14.025 1.00 0.00 H new ATOM 0 HG2 LYS B 5 2.914 -3.372 15.264 1.00 0.00 H new ATOM 0 HG3 LYS B 5 4.153 -3.132 14.048 1.00 0.00 H new ATOM 0 HD2 LYS B 5 3.756 -0.529 14.615 1.00 0.00 H new ATOM 0 HD3 LYS B 5 3.127 -1.168 16.121 1.00 0.00 H new ATOM 0 HE2 LYS B 5 5.244 -2.420 16.510 1.00 0.00 H new ATOM 0 HE3 LYS B 5 5.872 -1.880 14.966 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 6.679 -0.488 16.774 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 5.698 0.425 15.731 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 5.089 -0.098 17.227 1.00 0.00 H new ATOM 1565 N ALA B 6 1.582 -2.370 10.541 1.00 0.00 N ATOM 1566 CA ALA B 6 0.753 -1.917 9.388 1.00 0.00 C ATOM 1567 C ALA B 6 0.179 -3.124 8.644 1.00 0.00 C ATOM 1568 O ALA B 6 -1.013 -3.216 8.423 1.00 0.00 O ATOM 1569 CB ALA B 6 1.608 -1.079 8.430 1.00 0.00 C ATOM 0 H ALA B 6 2.557 -2.070 10.521 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.069 -1.308 9.764 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.997 -0.751 7.589 1.00 0.00 H new ATOM 0 HB2 ALA B 6 1.998 -0.208 8.957 1.00 0.00 H new ATOM 0 HB3 ALA B 6 2.438 -1.682 8.062 1.00 0.00 H new ATOM 1575 N MET B 7 1.007 -4.046 8.254 1.00 0.00 N ATOM 1576 CA MET B 7 0.488 -5.234 7.524 1.00 0.00 C ATOM 1577 C MET B 7 -0.594 -5.909 8.368 1.00 0.00 C ATOM 1578 O MET B 7 -1.596 -6.361 7.858 1.00 0.00 O ATOM 1579 CB MET B 7 1.626 -6.231 7.255 1.00 0.00 C ATOM 1580 CG MET B 7 2.659 -5.619 6.293 1.00 0.00 C ATOM 1581 SD MET B 7 3.502 -6.948 5.389 1.00 0.00 S ATOM 1582 CE MET B 7 5.215 -6.516 5.806 1.00 0.00 C ATOM 0 H MET B 7 2.015 -4.031 8.407 1.00 0.00 H new ATOM 0 HA MET B 7 0.068 -4.913 6.571 1.00 0.00 H new ATOM 0 HB2 MET B 7 2.110 -6.502 8.193 1.00 0.00 H new ATOM 0 HB3 MET B 7 1.221 -7.148 6.828 1.00 0.00 H new ATOM 0 HG2 MET B 7 2.166 -4.944 5.593 1.00 0.00 H new ATOM 0 HG3 MET B 7 3.384 -5.026 6.850 1.00 0.00 H new ATOM 0 HE1 MET B 7 5.888 -6.930 5.055 1.00 0.00 H new ATOM 0 HE2 MET B 7 5.321 -5.431 5.830 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.466 -6.927 6.784 1.00 0.00 H new ATOM 1592 N VAL B 8 -0.408 -5.968 9.655 1.00 0.00 N ATOM 1593 CA VAL B 8 -1.439 -6.608 10.522 1.00 0.00 C ATOM 1594 C VAL B 8 -2.691 -5.734 10.518 1.00 0.00 C ATOM 1595 O VAL B 8 -3.787 -6.189 10.254 1.00 0.00 O ATOM 1596 CB VAL B 8 -0.884 -6.741 11.955 1.00 0.00 C ATOM 1597 CG1 VAL B 8 -2.026 -6.914 12.966 1.00 0.00 C ATOM 1598 CG2 VAL B 8 0.046 -7.958 12.037 1.00 0.00 C ATOM 0 H VAL B 8 0.409 -5.603 10.145 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.690 -7.601 10.148 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.333 -5.832 12.195 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.612 -7.006 13.970 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.685 -6.047 12.923 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.593 -7.813 12.724 1.00 0.00 H new ATOM 0 HG21 VAL B 8 0.437 -8.050 13.050 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -0.511 -8.859 11.780 1.00 0.00 H new ATOM 0 HG23 VAL B 8 0.874 -7.831 11.339 1.00 0.00 H new ATOM 1608 N ALA B 9 -2.528 -4.486 10.820 1.00 0.00 N ATOM 1609 CA ALA B 9 -3.691 -3.566 10.853 1.00 0.00 C ATOM 1610 C ALA B 9 -4.497 -3.674 9.552 1.00 0.00 C ATOM 1611 O ALA B 9 -5.713 -3.595 9.559 1.00 0.00 O ATOM 1612 CB ALA B 9 -3.185 -2.135 11.025 1.00 0.00 C ATOM 0 H ALA B 9 -1.631 -4.057 11.048 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.340 -3.837 11.686 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.032 -1.450 11.051 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.627 -2.056 11.958 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.534 -1.876 10.190 1.00 0.00 H new ATOM 1618 N LEU B 10 -3.845 -3.840 8.429 1.00 0.00 N ATOM 1619 CA LEU B 10 -4.605 -3.929 7.145 1.00 0.00 C ATOM 1620 C LEU B 10 -5.203 -5.333 6.969 1.00 0.00 C ATOM 1621 O LEU B 10 -6.337 -5.470 6.588 1.00 0.00 O ATOM 1622 CB LEU B 10 -3.665 -3.586 5.969 1.00 0.00 C ATOM 1623 CG LEU B 10 -3.726 -2.080 5.668 1.00 0.00 C ATOM 1624 CD1 LEU B 10 -3.244 -1.289 6.885 1.00 0.00 C ATOM 1625 CD2 LEU B 10 -2.835 -1.764 4.467 1.00 0.00 C ATOM 0 H LEU B 10 -2.831 -3.917 8.345 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.428 -3.214 7.164 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.643 -3.875 6.214 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -3.954 -4.154 5.085 1.00 0.00 H new ATOM 0 HG LEU B 10 -4.755 -1.799 5.442 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -3.289 -0.222 6.667 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -3.882 -1.512 7.740 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -2.216 -1.569 7.117 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -2.878 -0.696 4.253 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -1.807 -2.048 4.692 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -3.184 -2.322 3.598 1.00 0.00 H new ATOM 1637 N ILE B 11 -4.457 -6.371 7.215 1.00 0.00 N ATOM 1638 CA ILE B 11 -4.995 -7.758 7.028 1.00 0.00 C ATOM 1639 C ILE B 11 -6.411 -7.856 7.619 1.00 0.00 C ATOM 1640 O ILE B 11 -7.260 -8.552 7.098 1.00 0.00 O ATOM 1641 CB ILE B 11 -4.066 -8.749 7.760 1.00 0.00 C ATOM 1642 CG1 ILE B 11 -2.739 -8.908 6.973 1.00 0.00 C ATOM 1643 CG2 ILE B 11 -4.762 -10.113 7.925 1.00 0.00 C ATOM 1644 CD1 ILE B 11 -2.850 -10.019 5.922 1.00 0.00 C ATOM 0 H ILE B 11 -3.491 -6.325 7.540 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.038 -7.995 5.965 1.00 0.00 H new ATOM 0 HB ILE B 11 -3.841 -8.357 8.752 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -2.487 -7.966 6.486 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.928 -9.137 7.664 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.095 -10.802 8.443 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -5.676 -9.987 8.506 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.009 -10.517 6.943 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.905 -10.108 5.386 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -3.078 -10.964 6.414 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -3.645 -9.775 5.218 1.00 0.00 H new ATOM 1656 N ASP B 12 -6.671 -7.172 8.699 1.00 0.00 N ATOM 1657 CA ASP B 12 -8.031 -7.240 9.310 1.00 0.00 C ATOM 1658 C ASP B 12 -9.006 -6.384 8.495 1.00 0.00 C ATOM 1659 O ASP B 12 -10.066 -6.831 8.107 1.00 0.00 O ATOM 1660 CB ASP B 12 -7.974 -6.727 10.753 1.00 0.00 C ATOM 1661 CG ASP B 12 -6.715 -7.265 11.434 1.00 0.00 C ATOM 1662 OD1 ASP B 12 -6.314 -8.369 11.104 1.00 0.00 O ATOM 1663 OD2 ASP B 12 -6.172 -6.564 12.272 1.00 0.00 O ATOM 0 H ASP B 12 -6.005 -6.571 9.184 1.00 0.00 H new ATOM 0 HA ASP B 12 -8.375 -8.274 9.310 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -7.969 -5.637 10.763 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -8.861 -7.047 11.300 1.00 0.00 H new ATOM 1668 N VAL B 13 -8.654 -5.157 8.233 1.00 0.00 N ATOM 1669 CA VAL B 13 -9.556 -4.270 7.440 1.00 0.00 C ATOM 1670 C VAL B 13 -9.524 -4.692 5.967 1.00 0.00 C ATOM 1671 O VAL B 13 -10.454 -4.462 5.219 1.00 0.00 O ATOM 1672 CB VAL B 13 -9.096 -2.809 7.596 1.00 0.00 C ATOM 1673 CG1 VAL B 13 -10.070 -1.862 6.870 1.00 0.00 C ATOM 1674 CG2 VAL B 13 -9.044 -2.460 9.095 1.00 0.00 C ATOM 0 H VAL B 13 -7.779 -4.727 8.533 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.580 -4.358 7.804 1.00 0.00 H new ATOM 0 HB VAL B 13 -8.107 -2.690 7.154 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -9.733 -0.832 6.989 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -10.100 -2.114 5.810 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -11.067 -1.968 7.297 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.719 -1.427 9.217 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -10.035 -2.583 9.532 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -8.341 -3.123 9.599 1.00 0.00 H new ATOM 1684 N PHE B 14 -8.449 -5.300 5.555 1.00 0.00 N ATOM 1685 CA PHE B 14 -8.329 -5.735 4.132 1.00 0.00 C ATOM 1686 C PHE B 14 -9.347 -6.848 3.828 1.00 0.00 C ATOM 1687 O PHE B 14 -10.025 -6.821 2.819 1.00 0.00 O ATOM 1688 CB PHE B 14 -6.892 -6.222 3.882 1.00 0.00 C ATOM 1689 CG PHE B 14 -6.770 -7.004 2.584 1.00 0.00 C ATOM 1690 CD1 PHE B 14 -7.586 -6.720 1.475 1.00 0.00 C ATOM 1691 CD2 PHE B 14 -5.811 -8.022 2.497 1.00 0.00 C ATOM 1692 CE1 PHE B 14 -7.439 -7.456 0.292 1.00 0.00 C ATOM 1693 CE2 PHE B 14 -5.666 -8.752 1.313 1.00 0.00 C ATOM 1694 CZ PHE B 14 -6.479 -8.470 0.211 1.00 0.00 C ATOM 0 H PHE B 14 -7.644 -5.517 6.142 1.00 0.00 H new ATOM 0 HA PHE B 14 -8.544 -4.897 3.469 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -6.219 -5.365 3.853 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -6.573 -6.850 4.714 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -8.326 -5.935 1.535 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -5.182 -8.243 3.347 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -8.068 -7.240 -0.559 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -4.925 -9.535 1.250 1.00 0.00 H new ATOM 0 HZ PHE B 14 -6.366 -9.035 -0.702 1.00 0.00 H new ATOM 1704 N HIS B 15 -9.464 -7.827 4.684 1.00 0.00 N ATOM 1705 CA HIS B 15 -10.437 -8.936 4.424 1.00 0.00 C ATOM 1706 C HIS B 15 -11.871 -8.479 4.758 1.00 0.00 C ATOM 1707 O HIS B 15 -12.812 -8.806 4.063 1.00 0.00 O ATOM 1708 CB HIS B 15 -10.046 -10.160 5.295 1.00 0.00 C ATOM 1709 CG HIS B 15 -9.908 -11.412 4.453 1.00 0.00 C ATOM 1710 ND1 HIS B 15 -10.273 -12.660 4.934 1.00 0.00 N ATOM 1711 CD2 HIS B 15 -9.449 -11.626 3.173 1.00 0.00 C ATOM 1712 CE1 HIS B 15 -10.030 -13.557 3.962 1.00 0.00 C ATOM 1713 NE2 HIS B 15 -9.527 -12.981 2.868 1.00 0.00 N ATOM 0 H HIS B 15 -8.932 -7.910 5.550 1.00 0.00 H new ATOM 0 HA HIS B 15 -10.405 -9.211 3.370 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -9.106 -9.959 5.808 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -10.802 -10.318 6.065 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -9.084 -10.858 2.507 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -10.219 -14.616 4.055 1.00 0.00 H new ATOM 0 HE2 HIS B 15 -9.258 -13.436 1.996 1.00 0.00 H new ATOM 1721 N GLN B 16 -12.041 -7.748 5.822 1.00 0.00 N ATOM 1722 CA GLN B 16 -13.409 -7.292 6.216 1.00 0.00 C ATOM 1723 C GLN B 16 -14.143 -6.674 5.014 1.00 0.00 C ATOM 1724 O GLN B 16 -15.303 -6.946 4.768 1.00 0.00 O ATOM 1725 CB GLN B 16 -13.263 -6.246 7.348 1.00 0.00 C ATOM 1726 CG GLN B 16 -13.840 -6.791 8.652 1.00 0.00 C ATOM 1727 CD GLN B 16 -12.990 -7.966 9.142 1.00 0.00 C ATOM 1728 OE1 GLN B 16 -11.826 -7.802 9.452 1.00 0.00 O ATOM 1729 NE2 GLN B 16 -13.525 -9.154 9.222 1.00 0.00 N ATOM 0 H GLN B 16 -11.290 -7.443 6.441 1.00 0.00 H new ATOM 0 HA GLN B 16 -13.995 -8.143 6.562 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.212 -5.993 7.485 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -13.778 -5.326 7.071 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -13.862 -6.006 9.407 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -14.870 -7.114 8.498 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -14.502 -9.292 8.962 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -12.966 -9.944 9.545 1.00 0.00 H new ATOM 1738 N TYR B 17 -13.473 -5.854 4.264 1.00 0.00 N ATOM 1739 CA TYR B 17 -14.126 -5.218 3.075 1.00 0.00 C ATOM 1740 C TYR B 17 -13.915 -6.097 1.850 1.00 0.00 C ATOM 1741 O TYR B 17 -14.857 -6.532 1.220 1.00 0.00 O ATOM 1742 CB TYR B 17 -13.520 -3.831 2.836 1.00 0.00 C ATOM 1743 CG TYR B 17 -14.114 -2.851 3.821 1.00 0.00 C ATOM 1744 CD1 TYR B 17 -13.775 -2.936 5.177 1.00 0.00 C ATOM 1745 CD2 TYR B 17 -15.007 -1.865 3.383 1.00 0.00 C ATOM 1746 CE1 TYR B 17 -14.328 -2.034 6.093 1.00 0.00 C ATOM 1747 CE2 TYR B 17 -15.559 -0.963 4.300 1.00 0.00 C ATOM 1748 CZ TYR B 17 -15.220 -1.049 5.655 1.00 0.00 C ATOM 1749 OH TYR B 17 -15.767 -0.161 6.557 1.00 0.00 O ATOM 0 H TYR B 17 -12.499 -5.591 4.416 1.00 0.00 H new ATOM 0 HA TYR B 17 -15.195 -5.111 3.259 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -12.437 -3.870 2.952 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -13.720 -3.505 1.815 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -13.087 -3.697 5.516 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -15.270 -1.801 2.337 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -14.066 -2.098 7.139 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -16.246 -0.201 3.962 1.00 0.00 H new ATOM 0 HH TYR B 17 -15.138 -0.015 7.294 1.00 0.00 H new ATOM 1759 N SER B 18 -12.693 -6.376 1.506 1.00 0.00 N ATOM 1760 CA SER B 18 -12.446 -7.240 0.324 1.00 0.00 C ATOM 1761 C SER B 18 -13.325 -8.490 0.431 1.00 0.00 C ATOM 1762 O SER B 18 -13.710 -9.080 -0.559 1.00 0.00 O ATOM 1763 CB SER B 18 -10.972 -7.645 0.297 1.00 0.00 C ATOM 1764 OG SER B 18 -10.665 -8.212 -0.967 1.00 0.00 O ATOM 0 H SER B 18 -11.858 -6.045 1.989 1.00 0.00 H new ATOM 0 HA SER B 18 -12.688 -6.701 -0.592 1.00 0.00 H new ATOM 0 HB2 SER B 18 -10.341 -6.776 0.482 1.00 0.00 H new ATOM 0 HB3 SER B 18 -10.766 -8.363 1.091 1.00 0.00 H new ATOM 0 HG SER B 18 -10.139 -7.574 -1.493 1.00 0.00 H new ATOM 1770 N GLY B 19 -13.639 -8.896 1.637 1.00 0.00 N ATOM 1771 CA GLY B 19 -14.488 -10.110 1.841 1.00 0.00 C ATOM 1772 C GLY B 19 -15.936 -9.730 2.188 1.00 0.00 C ATOM 1773 O GLY B 19 -16.749 -10.593 2.456 1.00 0.00 O ATOM 0 H GLY B 19 -13.340 -8.434 2.496 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -14.477 -10.720 0.937 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -14.068 -10.719 2.642 1.00 0.00 H new ATOM 1777 N ARG B 20 -16.284 -8.467 2.213 1.00 0.00 N ATOM 1778 CA ARG B 20 -17.692 -8.118 2.576 1.00 0.00 C ATOM 1779 C ARG B 20 -18.673 -8.682 1.542 1.00 0.00 C ATOM 1780 O ARG B 20 -19.759 -9.106 1.889 1.00 0.00 O ATOM 1781 CB ARG B 20 -17.869 -6.594 2.711 1.00 0.00 C ATOM 1782 CG ARG B 20 -17.588 -5.856 1.366 1.00 0.00 C ATOM 1783 CD ARG B 20 -18.810 -5.026 0.938 1.00 0.00 C ATOM 1784 NE ARG B 20 -20.040 -5.861 1.035 1.00 0.00 N ATOM 1785 CZ ARG B 20 -21.213 -5.295 1.107 1.00 0.00 C ATOM 1786 NH1 ARG B 20 -21.314 -3.995 1.077 1.00 0.00 N ATOM 1787 NH2 ARG B 20 -22.286 -6.032 1.211 1.00 0.00 N ATOM 0 H ARG B 20 -15.671 -7.679 2.003 1.00 0.00 H new ATOM 0 HA ARG B 20 -17.910 -8.571 3.543 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -18.884 -6.374 3.041 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -17.195 -6.217 3.480 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -16.720 -5.205 1.476 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -17.345 -6.582 0.590 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -18.905 -4.146 1.574 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -18.680 -4.669 -0.084 1.00 0.00 H new ATOM 0 HE ARG B 20 -19.965 -6.878 1.045 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -20.475 -3.420 0.997 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -22.232 -3.553 1.133 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -22.206 -7.049 1.236 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -23.204 -5.591 1.267 1.00 0.00 H new ATOM 1801 N GLU B 21 -18.324 -8.703 0.284 1.00 0.00 N ATOM 1802 CA GLU B 21 -19.282 -9.258 -0.723 1.00 0.00 C ATOM 1803 C GLU B 21 -18.574 -9.587 -2.041 1.00 0.00 C ATOM 1804 O GLU B 21 -17.465 -9.160 -2.293 1.00 0.00 O ATOM 1805 CB GLU B 21 -20.389 -8.235 -0.997 1.00 0.00 C ATOM 1806 CG GLU B 21 -19.805 -7.023 -1.728 1.00 0.00 C ATOM 1807 CD GLU B 21 -20.821 -5.880 -1.712 1.00 0.00 C ATOM 1808 OE1 GLU B 21 -21.937 -6.112 -1.276 1.00 0.00 O ATOM 1809 OE2 GLU B 21 -20.468 -4.793 -2.139 1.00 0.00 O ATOM 0 H GLU B 21 -17.435 -8.368 -0.088 1.00 0.00 H new ATOM 0 HA GLU B 21 -19.705 -10.176 -0.315 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -21.176 -8.690 -1.598 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -20.846 -7.920 -0.059 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -18.879 -6.707 -1.248 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -19.557 -7.289 -2.756 1.00 0.00 H new ATOM 1816 N GLY B 22 -19.236 -10.329 -2.893 1.00 0.00 N ATOM 1817 CA GLY B 22 -18.647 -10.678 -4.215 1.00 0.00 C ATOM 1818 C GLY B 22 -17.558 -11.738 -4.066 1.00 0.00 C ATOM 1819 O GLY B 22 -17.715 -12.706 -3.352 1.00 0.00 O ATOM 0 H GLY B 22 -20.167 -10.710 -2.725 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -19.429 -11.046 -4.880 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -18.229 -9.784 -4.678 1.00 0.00 H new ATOM 1823 N ASP B 23 -16.462 -11.561 -4.758 1.00 0.00 N ATOM 1824 CA ASP B 23 -15.348 -12.550 -4.690 1.00 0.00 C ATOM 1825 C ASP B 23 -14.924 -12.764 -3.237 1.00 0.00 C ATOM 1826 O ASP B 23 -15.665 -13.299 -2.437 1.00 0.00 O ATOM 1827 CB ASP B 23 -14.157 -12.023 -5.494 1.00 0.00 C ATOM 1828 CG ASP B 23 -14.500 -12.045 -6.985 1.00 0.00 C ATOM 1829 OD1 ASP B 23 -14.419 -13.109 -7.576 1.00 0.00 O ATOM 1830 OD2 ASP B 23 -14.838 -10.997 -7.510 1.00 0.00 O ATOM 0 H ASP B 23 -16.291 -10.765 -5.373 1.00 0.00 H new ATOM 0 HA ASP B 23 -15.686 -13.499 -5.105 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -13.913 -11.008 -5.181 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -13.276 -12.636 -5.303 1.00 0.00 H new ATOM 1835 N LYS B 24 -13.735 -12.357 -2.883 1.00 0.00 N ATOM 1836 CA LYS B 24 -13.289 -12.553 -1.479 1.00 0.00 C ATOM 1837 C LYS B 24 -11.957 -11.832 -1.240 1.00 0.00 C ATOM 1838 O LYS B 24 -11.570 -11.615 -0.108 1.00 0.00 O ATOM 1839 CB LYS B 24 -13.127 -14.064 -1.214 1.00 0.00 C ATOM 1840 CG LYS B 24 -12.446 -14.339 0.145 1.00 0.00 C ATOM 1841 CD LYS B 24 -13.232 -13.705 1.306 1.00 0.00 C ATOM 1842 CE LYS B 24 -14.695 -14.165 1.274 1.00 0.00 C ATOM 1843 NZ LYS B 24 -15.298 -13.989 2.625 1.00 0.00 N ATOM 0 H LYS B 24 -13.061 -11.902 -3.499 1.00 0.00 H new ATOM 0 HA LYS B 24 -14.032 -12.137 -0.798 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -14.106 -14.543 -1.234 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -12.537 -14.512 -2.013 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -12.366 -15.415 0.302 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -11.431 -13.942 0.132 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -12.777 -13.983 2.257 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -13.184 -12.618 1.236 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -15.253 -13.588 0.536 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -14.753 -15.211 0.971 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -16.290 -14.300 2.606 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -14.770 -14.558 3.318 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -15.255 -12.986 2.896 1.00 0.00 H new ATOM 1857 N HIS B 25 -11.228 -11.481 -2.278 1.00 0.00 N ATOM 1858 CA HIS B 25 -9.902 -10.809 -2.071 1.00 0.00 C ATOM 1859 C HIS B 25 -9.746 -9.590 -2.986 1.00 0.00 C ATOM 1860 O HIS B 25 -8.654 -9.261 -3.405 1.00 0.00 O ATOM 1861 CB HIS B 25 -8.797 -11.847 -2.364 1.00 0.00 C ATOM 1862 CG HIS B 25 -7.626 -11.657 -1.437 1.00 0.00 C ATOM 1863 ND1 HIS B 25 -6.282 -11.522 -1.680 1.00 0.00 N flip ATOM 1864 CD2 HIS B 25 -7.773 -11.591 -0.058 1.00 0.00 C flip ATOM 1865 CE1 HIS B 25 -5.609 -11.373 -0.477 1.00 0.00 C flip ATOM 1866 NE2 HIS B 25 -6.548 -11.420 0.467 1.00 0.00 N flip ATOM 0 H HIS B 25 -11.492 -11.630 -3.252 1.00 0.00 H new ATOM 0 HA HIS B 25 -9.829 -10.449 -1.045 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -9.198 -12.854 -2.249 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -8.467 -11.751 -3.398 1.00 0.00 H new ATOM 0 HD1 HIS B 25 -5.846 -11.530 -2.602 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -8.700 -11.664 0.491 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -4.546 -11.246 -0.335 1.00 0.00 H new ATOM 1874 N LYS B 26 -10.812 -8.895 -3.276 1.00 0.00 N ATOM 1875 CA LYS B 26 -10.705 -7.679 -4.133 1.00 0.00 C ATOM 1876 C LYS B 26 -11.686 -6.638 -3.616 1.00 0.00 C ATOM 1877 O LYS B 26 -12.711 -6.960 -3.048 1.00 0.00 O ATOM 1878 CB LYS B 26 -11.022 -8.033 -5.591 1.00 0.00 C ATOM 1879 CG LYS B 26 -9.964 -9.014 -6.133 1.00 0.00 C ATOM 1880 CD LYS B 26 -9.854 -8.880 -7.657 1.00 0.00 C ATOM 1881 CE LYS B 26 -11.243 -8.973 -8.295 1.00 0.00 C ATOM 1882 NZ LYS B 26 -11.102 -9.367 -9.726 1.00 0.00 N ATOM 0 H LYS B 26 -11.755 -9.117 -2.956 1.00 0.00 H new ATOM 0 HA LYS B 26 -9.691 -7.282 -4.093 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -12.014 -8.480 -5.659 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -11.038 -7.129 -6.199 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -8.998 -8.811 -5.671 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.235 -10.036 -5.868 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -9.390 -7.927 -7.914 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -9.210 -9.665 -8.053 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -11.852 -9.704 -7.763 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -11.756 -8.014 -8.219 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -12.044 -9.431 -10.163 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -10.535 -8.654 -10.228 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -10.629 -10.291 -9.787 1.00 0.00 H new ATOM 1896 N LEU B 27 -11.376 -5.384 -3.798 1.00 0.00 N ATOM 1897 CA LEU B 27 -12.288 -4.303 -3.306 1.00 0.00 C ATOM 1898 C LEU B 27 -13.221 -3.847 -4.436 1.00 0.00 C ATOM 1899 O LEU B 27 -12.817 -3.644 -5.566 1.00 0.00 O ATOM 1900 CB LEU B 27 -11.461 -3.086 -2.812 1.00 0.00 C ATOM 1901 CG LEU B 27 -11.269 -3.105 -1.270 1.00 0.00 C ATOM 1902 CD1 LEU B 27 -10.068 -3.978 -0.894 1.00 0.00 C ATOM 1903 CD2 LEU B 27 -11.037 -1.676 -0.776 1.00 0.00 C ATOM 0 H LEU B 27 -10.531 -5.057 -4.266 1.00 0.00 H new ATOM 0 HA LEU B 27 -12.878 -4.700 -2.480 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -10.486 -3.087 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -11.962 -2.163 -3.104 1.00 0.00 H new ATOM 0 HG LEU B 27 -12.163 -3.519 -0.804 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -9.946 -3.982 0.189 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -10.235 -4.997 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -9.167 -3.578 -1.359 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -10.902 -1.682 0.306 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -10.145 -1.267 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -11.899 -1.059 -1.030 1.00 0.00 H new ATOM 1915 N LYS B 28 -14.461 -3.648 -4.092 1.00 0.00 N ATOM 1916 CA LYS B 28 -15.473 -3.154 -5.075 1.00 0.00 C ATOM 1917 C LYS B 28 -15.818 -1.705 -4.734 1.00 0.00 C ATOM 1918 O LYS B 28 -15.647 -1.268 -3.616 1.00 0.00 O ATOM 1919 CB LYS B 28 -16.732 -4.013 -4.999 1.00 0.00 C ATOM 1920 CG LYS B 28 -16.346 -5.484 -5.178 1.00 0.00 C ATOM 1921 CD LYS B 28 -17.592 -6.315 -5.488 1.00 0.00 C ATOM 1922 CE LYS B 28 -17.173 -7.679 -6.031 1.00 0.00 C ATOM 1923 NZ LYS B 28 -16.294 -7.499 -7.223 1.00 0.00 N ATOM 0 H LYS B 28 -14.826 -3.809 -3.153 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.067 -3.214 -6.085 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -17.228 -3.869 -4.039 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -17.439 -3.713 -5.772 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -15.622 -5.583 -5.986 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -15.866 -5.856 -4.273 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -18.192 -6.439 -4.587 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -18.215 -5.797 -6.217 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -16.646 -8.241 -5.260 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -18.055 -8.259 -6.302 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -16.581 -8.164 -7.969 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -16.382 -6.524 -7.575 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.306 -7.683 -6.956 1.00 0.00 H new ATOM 1937 N LYS B 29 -16.295 -0.950 -5.684 1.00 0.00 N ATOM 1938 CA LYS B 29 -16.639 0.473 -5.397 1.00 0.00 C ATOM 1939 C LYS B 29 -17.445 0.557 -4.098 1.00 0.00 C ATOM 1940 O LYS B 29 -17.157 1.357 -3.230 1.00 0.00 O ATOM 1941 CB LYS B 29 -17.454 1.038 -6.560 1.00 0.00 C ATOM 1942 CG LYS B 29 -16.631 0.914 -7.846 1.00 0.00 C ATOM 1943 CD LYS B 29 -17.228 1.808 -8.930 1.00 0.00 C ATOM 1944 CE LYS B 29 -16.565 1.484 -10.269 1.00 0.00 C ATOM 1945 NZ LYS B 29 -15.095 1.700 -10.155 1.00 0.00 N ATOM 0 H LYS B 29 -16.461 -1.254 -6.643 1.00 0.00 H new ATOM 0 HA LYS B 29 -15.725 1.056 -5.281 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -18.394 0.496 -6.660 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -17.706 2.082 -6.372 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.596 1.199 -7.655 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.619 -0.123 -8.182 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -18.305 1.651 -8.996 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.074 2.857 -8.679 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -16.772 0.451 -10.550 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -16.977 2.117 -11.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -14.707 1.950 -11.087 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -14.909 2.473 -9.484 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -14.642 0.829 -9.814 1.00 0.00 H new ATOM 1959 N SER B 30 -18.443 -0.268 -3.951 1.00 0.00 N ATOM 1960 CA SER B 30 -19.249 -0.237 -2.700 1.00 0.00 C ATOM 1961 C SER B 30 -18.306 -0.327 -1.496 1.00 0.00 C ATOM 1962 O SER B 30 -18.699 -0.100 -0.376 1.00 0.00 O ATOM 1963 CB SER B 30 -20.219 -1.419 -2.678 1.00 0.00 C ATOM 1964 OG SER B 30 -20.856 -1.532 -3.945 1.00 0.00 O ATOM 0 H SER B 30 -18.735 -0.960 -4.641 1.00 0.00 H new ATOM 0 HA SER B 30 -19.818 0.691 -2.656 1.00 0.00 H new ATOM 0 HB2 SER B 30 -19.683 -2.339 -2.445 1.00 0.00 H new ATOM 0 HB3 SER B 30 -20.964 -1.277 -1.895 1.00 0.00 H new ATOM 0 HG SER B 30 -21.477 -2.290 -3.933 1.00 0.00 H new ATOM 1970 N GLU B 31 -17.056 -0.635 -1.732 1.00 0.00 N ATOM 1971 CA GLU B 31 -16.071 -0.721 -0.605 1.00 0.00 C ATOM 1972 C GLU B 31 -15.257 0.565 -0.557 1.00 0.00 C ATOM 1973 O GLU B 31 -14.923 1.051 0.498 1.00 0.00 O ATOM 1974 CB GLU B 31 -15.146 -1.920 -0.809 1.00 0.00 C ATOM 1975 CG GLU B 31 -15.998 -3.163 -1.060 1.00 0.00 C ATOM 1976 CD GLU B 31 -15.098 -4.391 -1.167 1.00 0.00 C ATOM 1977 OE1 GLU B 31 -14.236 -4.544 -0.318 1.00 0.00 O ATOM 1978 OE2 GLU B 31 -15.283 -5.157 -2.097 1.00 0.00 O ATOM 0 H GLU B 31 -16.672 -0.831 -2.656 1.00 0.00 H new ATOM 0 HA GLU B 31 -16.604 -0.850 0.337 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -14.479 -1.743 -1.653 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -14.517 -2.065 0.069 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -16.714 -3.295 -0.249 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -16.574 -3.042 -1.977 1.00 0.00 H new ATOM 1985 N LEU B 32 -14.954 1.136 -1.687 1.00 0.00 N ATOM 1986 CA LEU B 32 -14.182 2.410 -1.684 1.00 0.00 C ATOM 1987 C LEU B 32 -15.044 3.478 -1.014 1.00 0.00 C ATOM 1988 O LEU B 32 -14.689 4.039 -0.001 1.00 0.00 O ATOM 1989 CB LEU B 32 -13.855 2.835 -3.136 1.00 0.00 C ATOM 1990 CG LEU B 32 -12.462 2.336 -3.597 1.00 0.00 C ATOM 1991 CD1 LEU B 32 -11.369 3.321 -3.145 1.00 0.00 C ATOM 1992 CD2 LEU B 32 -12.162 0.928 -3.044 1.00 0.00 C ATOM 0 H LEU B 32 -15.205 0.779 -2.609 1.00 0.00 H new ATOM 0 HA LEU B 32 -13.244 2.282 -1.144 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -14.619 2.443 -3.807 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -13.892 3.922 -3.211 1.00 0.00 H new ATOM 0 HG LEU B 32 -12.469 2.280 -4.686 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.395 2.960 -3.475 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -11.559 4.301 -3.582 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -11.378 3.400 -2.058 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -11.178 0.605 -3.385 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -12.178 0.954 -1.954 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -12.917 0.228 -3.402 1.00 0.00 H new ATOM 2004 N LYS B 33 -16.182 3.754 -1.577 1.00 0.00 N ATOM 2005 CA LYS B 33 -17.082 4.775 -0.998 1.00 0.00 C ATOM 2006 C LYS B 33 -17.467 4.382 0.431 1.00 0.00 C ATOM 2007 O LYS B 33 -17.649 5.225 1.287 1.00 0.00 O ATOM 2008 CB LYS B 33 -18.321 4.835 -1.881 1.00 0.00 C ATOM 2009 CG LYS B 33 -19.155 6.079 -1.566 1.00 0.00 C ATOM 2010 CD LYS B 33 -20.515 5.965 -2.283 1.00 0.00 C ATOM 2011 CE LYS B 33 -21.536 5.265 -1.377 1.00 0.00 C ATOM 2012 NZ LYS B 33 -22.798 5.038 -2.136 1.00 0.00 N ATOM 0 H LYS B 33 -16.529 3.308 -2.426 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.592 5.748 -0.957 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -18.025 4.847 -2.930 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -18.924 3.940 -1.730 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -19.303 6.171 -0.490 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -18.631 6.977 -1.893 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -20.877 6.958 -2.552 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -20.399 5.406 -3.212 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -21.135 4.315 -1.025 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -21.734 5.874 -0.495 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -23.491 4.563 -1.523 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -23.183 5.951 -2.451 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -22.602 4.440 -2.964 1.00 0.00 H new ATOM 2026 N GLU B 34 -17.607 3.110 0.693 1.00 0.00 N ATOM 2027 CA GLU B 34 -18.000 2.674 2.070 1.00 0.00 C ATOM 2028 C GLU B 34 -16.774 2.622 2.982 1.00 0.00 C ATOM 2029 O GLU B 34 -16.836 2.997 4.135 1.00 0.00 O ATOM 2030 CB GLU B 34 -18.652 1.296 1.999 1.00 0.00 C ATOM 2031 CG GLU B 34 -19.238 0.926 3.360 1.00 0.00 C ATOM 2032 CD GLU B 34 -20.006 -0.391 3.234 1.00 0.00 C ATOM 2033 OE1 GLU B 34 -20.731 -0.540 2.264 1.00 0.00 O ATOM 2034 OE2 GLU B 34 -19.851 -1.230 4.105 1.00 0.00 O ATOM 0 H GLU B 34 -17.468 2.356 0.020 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.709 3.392 2.482 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -19.437 1.294 1.243 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -17.916 0.551 1.696 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -18.442 0.828 4.098 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -19.902 1.716 3.711 1.00 0.00 H new ATOM 2041 N LEU B 35 -15.659 2.180 2.477 1.00 0.00 N ATOM 2042 CA LEU B 35 -14.432 2.131 3.326 1.00 0.00 C ATOM 2043 C LEU B 35 -13.946 3.561 3.526 1.00 0.00 C ATOM 2044 O LEU B 35 -13.390 3.911 4.550 1.00 0.00 O ATOM 2045 CB LEU B 35 -13.341 1.307 2.622 1.00 0.00 C ATOM 2046 CG LEU B 35 -12.078 1.201 3.507 1.00 0.00 C ATOM 2047 CD1 LEU B 35 -12.261 0.114 4.571 1.00 0.00 C ATOM 2048 CD2 LEU B 35 -10.869 0.839 2.635 1.00 0.00 C ATOM 0 H LEU B 35 -15.541 1.851 1.519 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.653 1.664 4.286 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -13.719 0.309 2.399 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -13.086 1.771 1.670 1.00 0.00 H new ATOM 0 HG LEU B 35 -11.916 2.162 3.996 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -11.363 0.052 5.186 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -13.116 0.361 5.201 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -12.435 -0.846 4.084 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -9.979 0.765 3.260 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -11.048 -0.117 2.143 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -10.719 1.612 1.881 1.00 0.00 H new ATOM 2060 N ILE B 36 -14.151 4.388 2.546 1.00 0.00 N ATOM 2061 CA ILE B 36 -13.709 5.799 2.652 1.00 0.00 C ATOM 2062 C ILE B 36 -14.615 6.545 3.643 1.00 0.00 C ATOM 2063 O ILE B 36 -14.159 7.342 4.438 1.00 0.00 O ATOM 2064 CB ILE B 36 -13.775 6.443 1.264 1.00 0.00 C ATOM 2065 CG1 ILE B 36 -12.640 5.878 0.392 1.00 0.00 C ATOM 2066 CG2 ILE B 36 -13.602 7.954 1.386 1.00 0.00 C ATOM 2067 CD1 ILE B 36 -12.912 6.175 -1.086 1.00 0.00 C ATOM 0 H ILE B 36 -14.610 4.144 1.668 1.00 0.00 H new ATOM 0 HA ILE B 36 -12.684 5.849 3.018 1.00 0.00 H new ATOM 0 HB ILE B 36 -14.742 6.224 0.810 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -11.689 6.318 0.690 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -12.555 4.802 0.545 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -13.650 8.407 0.396 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -14.397 8.362 2.010 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -12.635 8.174 1.839 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -12.102 5.771 -1.693 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -13.854 5.713 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -12.974 7.253 -1.235 1.00 0.00 H new ATOM 2079 N ASN B 37 -15.897 6.299 3.587 1.00 0.00 N ATOM 2080 CA ASN B 37 -16.846 6.997 4.508 1.00 0.00 C ATOM 2081 C ASN B 37 -16.901 6.303 5.877 1.00 0.00 C ATOM 2082 O ASN B 37 -17.272 6.906 6.864 1.00 0.00 O ATOM 2083 CB ASN B 37 -18.246 6.988 3.886 1.00 0.00 C ATOM 2084 CG ASN B 37 -18.181 7.566 2.470 1.00 0.00 C ATOM 2085 OD1 ASN B 37 -17.157 8.072 2.053 1.00 0.00 O ATOM 2086 ND2 ASN B 37 -19.240 7.515 1.709 1.00 0.00 N ATOM 0 H ASN B 37 -16.331 5.641 2.940 1.00 0.00 H new ATOM 0 HA ASN B 37 -16.498 8.020 4.652 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -18.636 5.970 3.857 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -18.931 7.574 4.498 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -19.208 7.900 0.765 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -20.099 7.091 2.058 1.00 0.00 H new ATOM 2093 N ASN B 38 -16.585 5.033 5.942 1.00 0.00 N ATOM 2094 CA ASN B 38 -16.671 4.305 7.255 1.00 0.00 C ATOM 2095 C ASN B 38 -15.308 4.254 7.958 1.00 0.00 C ATOM 2096 O ASN B 38 -15.219 4.451 9.153 1.00 0.00 O ATOM 2097 CB ASN B 38 -17.150 2.873 7.009 1.00 0.00 C ATOM 2098 CG ASN B 38 -18.531 2.899 6.352 1.00 0.00 C ATOM 2099 OD1 ASN B 38 -18.809 3.744 5.525 1.00 0.00 O ATOM 2100 ND2 ASN B 38 -19.415 1.999 6.688 1.00 0.00 N ATOM 0 H ASN B 38 -16.273 4.469 5.152 1.00 0.00 H new ATOM 0 HA ASN B 38 -17.372 4.843 7.893 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -16.442 2.347 6.369 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -17.195 2.327 7.951 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -20.339 2.006 6.256 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -19.182 1.289 7.382 1.00 0.00 H new ATOM 2107 N GLU B 39 -14.251 3.972 7.242 1.00 0.00 N ATOM 2108 CA GLU B 39 -12.900 3.884 7.889 1.00 0.00 C ATOM 2109 C GLU B 39 -12.121 5.186 7.674 1.00 0.00 C ATOM 2110 O GLU B 39 -11.849 5.917 8.605 1.00 0.00 O ATOM 2111 CB GLU B 39 -12.127 2.713 7.265 1.00 0.00 C ATOM 2112 CG GLU B 39 -10.988 2.285 8.195 1.00 0.00 C ATOM 2113 CD GLU B 39 -11.570 1.595 9.430 1.00 0.00 C ATOM 2114 OE1 GLU B 39 -12.230 0.584 9.263 1.00 0.00 O ATOM 2115 OE2 GLU B 39 -11.346 2.091 10.522 1.00 0.00 O ATOM 0 H GLU B 39 -14.261 3.798 6.237 1.00 0.00 H new ATOM 0 HA GLU B 39 -13.022 3.724 8.960 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -12.800 1.874 7.090 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -11.725 3.007 6.295 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -10.312 1.609 7.672 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -10.402 3.154 8.493 1.00 0.00 H new ATOM 2122 N LEU B 40 -11.759 5.478 6.458 1.00 0.00 N ATOM 2123 CA LEU B 40 -10.996 6.731 6.187 1.00 0.00 C ATOM 2124 C LEU B 40 -11.961 7.918 6.239 1.00 0.00 C ATOM 2125 O LEU B 40 -11.876 8.838 5.452 1.00 0.00 O ATOM 2126 CB LEU B 40 -10.328 6.647 4.800 1.00 0.00 C ATOM 2127 CG LEU B 40 -9.939 5.195 4.483 1.00 0.00 C ATOM 2128 CD1 LEU B 40 -9.242 5.140 3.124 1.00 0.00 C ATOM 2129 CD2 LEU B 40 -8.996 4.664 5.566 1.00 0.00 C ATOM 0 H LEU B 40 -11.957 4.905 5.638 1.00 0.00 H new ATOM 0 HA LEU B 40 -10.217 6.862 6.939 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -11.010 7.023 4.037 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -9.442 7.282 4.776 1.00 0.00 H new ATOM 0 HG LEU B 40 -10.837 4.578 4.456 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -8.966 4.110 2.898 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -9.917 5.512 2.353 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -8.345 5.759 3.150 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -8.723 3.634 5.337 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.097 5.279 5.599 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -9.496 4.700 6.534 1.00 0.00 H new ATOM 2141 N SER B 41 -12.887 7.900 7.162 1.00 0.00 N ATOM 2142 CA SER B 41 -13.870 9.015 7.272 1.00 0.00 C ATOM 2143 C SER B 41 -13.302 10.131 8.163 1.00 0.00 C ATOM 2144 O SER B 41 -13.785 11.246 8.152 1.00 0.00 O ATOM 2145 CB SER B 41 -15.171 8.458 7.885 1.00 0.00 C ATOM 2146 OG SER B 41 -15.141 7.039 7.807 1.00 0.00 O ATOM 0 H SER B 41 -13.004 7.155 7.848 1.00 0.00 H new ATOM 0 HA SER B 41 -14.073 9.433 6.286 1.00 0.00 H new ATOM 0 HB2 SER B 41 -15.267 8.777 8.923 1.00 0.00 H new ATOM 0 HB3 SER B 41 -16.037 8.848 7.351 1.00 0.00 H new ATOM 0 HG SER B 41 -16.024 6.680 8.033 1.00 0.00 H new ATOM 2152 N HIS B 42 -12.292 9.838 8.942 1.00 0.00 N ATOM 2153 CA HIS B 42 -11.702 10.876 9.844 1.00 0.00 C ATOM 2154 C HIS B 42 -10.436 11.459 9.207 1.00 0.00 C ATOM 2155 O HIS B 42 -10.079 12.594 9.451 1.00 0.00 O ATOM 2156 CB HIS B 42 -11.355 10.222 11.187 1.00 0.00 C ATOM 2157 CG HIS B 42 -10.830 8.834 10.940 1.00 0.00 C ATOM 2158 ND1 HIS B 42 -9.798 8.584 10.048 1.00 0.00 N ATOM 2159 CD2 HIS B 42 -11.190 7.611 11.451 1.00 0.00 C ATOM 2160 CE1 HIS B 42 -9.573 7.257 10.047 1.00 0.00 C ATOM 2161 NE2 HIS B 42 -10.396 6.621 10.883 1.00 0.00 N ATOM 0 H HIS B 42 -11.848 8.921 8.993 1.00 0.00 H new ATOM 0 HA HIS B 42 -12.419 11.682 10.000 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -10.609 10.818 11.713 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -12.238 10.182 11.824 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -11.969 7.444 12.181 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -8.821 6.768 9.445 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -10.435 5.618 11.067 1.00 0.00 H new ATOM 2170 N PHE B 43 -9.754 10.693 8.392 1.00 0.00 N ATOM 2171 CA PHE B 43 -8.509 11.202 7.736 1.00 0.00 C ATOM 2172 C PHE B 43 -8.861 11.661 6.320 1.00 0.00 C ATOM 2173 O PHE B 43 -8.733 12.822 5.985 1.00 0.00 O ATOM 2174 CB PHE B 43 -7.456 10.067 7.693 1.00 0.00 C ATOM 2175 CG PHE B 43 -6.449 10.247 8.814 1.00 0.00 C ATOM 2176 CD1 PHE B 43 -6.892 10.350 10.139 1.00 0.00 C ATOM 2177 CD2 PHE B 43 -5.078 10.322 8.528 1.00 0.00 C ATOM 2178 CE1 PHE B 43 -5.967 10.527 11.174 1.00 0.00 C ATOM 2179 CE2 PHE B 43 -4.156 10.497 9.565 1.00 0.00 C ATOM 2180 CZ PHE B 43 -4.600 10.601 10.888 1.00 0.00 C ATOM 0 H PHE B 43 -10.006 9.734 8.152 1.00 0.00 H new ATOM 0 HA PHE B 43 -8.094 12.041 8.295 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -7.949 9.099 7.788 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -6.945 10.071 6.730 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -7.947 10.293 10.362 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -4.734 10.245 7.507 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -6.309 10.607 12.195 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -3.100 10.552 9.344 1.00 0.00 H new ATOM 0 HZ PHE B 43 -3.887 10.738 11.688 1.00 0.00 H new ATOM 2190 N LEU B 44 -9.314 10.765 5.484 1.00 0.00 N ATOM 2191 CA LEU B 44 -9.678 11.175 4.104 1.00 0.00 C ATOM 2192 C LEU B 44 -11.028 11.894 4.158 1.00 0.00 C ATOM 2193 O LEU B 44 -11.929 11.481 4.861 1.00 0.00 O ATOM 2194 CB LEU B 44 -9.765 9.937 3.200 1.00 0.00 C ATOM 2195 CG LEU B 44 -10.194 10.327 1.775 1.00 0.00 C ATOM 2196 CD1 LEU B 44 -9.263 11.414 1.212 1.00 0.00 C ATOM 2197 CD2 LEU B 44 -10.128 9.084 0.872 1.00 0.00 C ATOM 0 H LEU B 44 -9.446 9.776 5.698 1.00 0.00 H new ATOM 0 HA LEU B 44 -8.921 11.844 3.694 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -8.797 9.436 3.169 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -10.478 9.226 3.617 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.212 10.717 1.805 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.581 11.678 0.203 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.307 12.297 1.849 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.240 11.038 1.184 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -10.431 9.353 -0.140 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -9.108 8.700 0.856 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.798 8.317 1.259 1.00 0.00 H new ATOM 2209 N GLU B 45 -11.173 12.975 3.445 1.00 0.00 N ATOM 2210 CA GLU B 45 -12.461 13.723 3.489 1.00 0.00 C ATOM 2211 C GLU B 45 -13.628 12.756 3.276 1.00 0.00 C ATOM 2212 O GLU B 45 -13.582 11.884 2.432 1.00 0.00 O ATOM 2213 CB GLU B 45 -12.465 14.797 2.399 1.00 0.00 C ATOM 2214 CG GLU B 45 -11.372 15.825 2.703 1.00 0.00 C ATOM 2215 CD GLU B 45 -11.494 17.006 1.739 1.00 0.00 C ATOM 2216 OE1 GLU B 45 -12.586 17.232 1.245 1.00 0.00 O ATOM 2217 OE2 GLU B 45 -10.492 17.665 1.513 1.00 0.00 O ATOM 0 H GLU B 45 -10.458 13.373 2.835 1.00 0.00 H new ATOM 0 HA GLU B 45 -12.571 14.200 4.463 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -12.293 14.343 1.423 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -13.439 15.285 2.356 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -11.462 16.172 3.732 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -10.389 15.364 2.607 1.00 0.00 H new ATOM 2224 N GLU B 46 -14.673 12.906 4.046 1.00 0.00 N ATOM 2225 CA GLU B 46 -15.847 12.000 3.904 1.00 0.00 C ATOM 2226 C GLU B 46 -16.413 12.112 2.489 1.00 0.00 C ATOM 2227 O GLU B 46 -17.093 13.061 2.154 1.00 0.00 O ATOM 2228 CB GLU B 46 -16.920 12.395 4.921 1.00 0.00 C ATOM 2229 CG GLU B 46 -18.099 11.425 4.821 1.00 0.00 C ATOM 2230 CD GLU B 46 -19.053 11.657 5.994 1.00 0.00 C ATOM 2231 OE1 GLU B 46 -18.788 12.550 6.782 1.00 0.00 O ATOM 2232 OE2 GLU B 46 -20.035 10.937 6.084 1.00 0.00 O ATOM 0 H GLU B 46 -14.763 13.620 4.769 1.00 0.00 H new ATOM 0 HA GLU B 46 -15.537 10.971 4.086 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -16.505 12.377 5.929 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -17.257 13.414 4.733 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -18.624 11.571 3.877 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -17.739 10.396 4.830 1.00 0.00 H new ATOM 2239 N ILE B 47 -16.137 11.148 1.657 1.00 0.00 N ATOM 2240 CA ILE B 47 -16.657 11.190 0.262 1.00 0.00 C ATOM 2241 C ILE B 47 -18.157 10.865 0.281 1.00 0.00 C ATOM 2242 O ILE B 47 -18.583 9.880 0.852 1.00 0.00 O ATOM 2243 CB ILE B 47 -15.865 10.169 -0.594 1.00 0.00 C ATOM 2244 CG1 ILE B 47 -14.625 10.866 -1.196 1.00 0.00 C ATOM 2245 CG2 ILE B 47 -16.736 9.594 -1.719 1.00 0.00 C ATOM 2246 CD1 ILE B 47 -13.711 9.859 -1.918 1.00 0.00 C ATOM 0 H ILE B 47 -15.572 10.330 1.883 1.00 0.00 H new ATOM 0 HA ILE B 47 -16.528 12.180 -0.175 1.00 0.00 H new ATOM 0 HB ILE B 47 -15.555 9.343 0.047 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -14.944 11.638 -1.896 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -14.066 11.365 -0.404 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -16.153 8.881 -2.302 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -17.601 9.089 -1.288 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -17.074 10.403 -2.367 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -12.848 10.382 -2.330 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -13.373 9.102 -1.210 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -14.264 9.379 -2.725 1.00 0.00 H new ATOM 2258 N LYS B 48 -18.957 11.698 -0.341 1.00 0.00 N ATOM 2259 CA LYS B 48 -20.437 11.470 -0.376 1.00 0.00 C ATOM 2260 C LYS B 48 -20.874 11.195 -1.816 1.00 0.00 C ATOM 2261 O LYS B 48 -21.881 10.559 -2.059 1.00 0.00 O ATOM 2262 CB LYS B 48 -21.145 12.727 0.134 1.00 0.00 C ATOM 2263 CG LYS B 48 -22.628 12.424 0.353 1.00 0.00 C ATOM 2264 CD LYS B 48 -23.346 13.687 0.830 1.00 0.00 C ATOM 2265 CE LYS B 48 -24.853 13.428 0.880 1.00 0.00 C ATOM 2266 NZ LYS B 48 -25.391 13.347 -0.508 1.00 0.00 N ATOM 0 H LYS B 48 -18.644 12.536 -0.831 1.00 0.00 H new ATOM 0 HA LYS B 48 -20.695 10.617 0.252 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -20.690 13.061 1.066 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -21.031 13.538 -0.585 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -23.077 12.067 -0.574 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -22.742 11.629 1.090 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -22.983 13.974 1.817 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -23.131 14.517 0.157 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -25.055 12.500 1.414 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -25.352 14.227 1.429 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -26.420 13.494 -0.490 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -24.946 14.081 -1.096 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -25.182 12.410 -0.907 1.00 0.00 H new ATOM 2280 N GLU B 49 -20.125 11.674 -2.775 1.00 0.00 N ATOM 2281 CA GLU B 49 -20.488 11.451 -4.208 1.00 0.00 C ATOM 2282 C GLU B 49 -19.694 10.261 -4.749 1.00 0.00 C ATOM 2283 O GLU B 49 -18.663 9.900 -4.219 1.00 0.00 O ATOM 2284 CB GLU B 49 -20.150 12.701 -5.025 1.00 0.00 C ATOM 2285 CG GLU B 49 -20.982 13.883 -4.523 1.00 0.00 C ATOM 2286 CD GLU B 49 -22.463 13.628 -4.813 1.00 0.00 C ATOM 2287 OE1 GLU B 49 -22.912 14.008 -5.882 1.00 0.00 O ATOM 2288 OE2 GLU B 49 -23.123 13.058 -3.960 1.00 0.00 O ATOM 0 H GLU B 49 -19.272 12.213 -2.627 1.00 0.00 H new ATOM 0 HA GLU B 49 -21.556 11.247 -4.285 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -19.087 12.928 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -20.353 12.523 -6.081 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -20.829 14.020 -3.453 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -20.658 14.802 -5.011 1.00 0.00 H new ATOM 2295 N GLN B 50 -20.169 9.642 -5.797 1.00 0.00 N ATOM 2296 CA GLN B 50 -19.444 8.471 -6.375 1.00 0.00 C ATOM 2297 C GLN B 50 -18.544 8.935 -7.522 1.00 0.00 C ATOM 2298 O GLN B 50 -17.523 8.341 -7.803 1.00 0.00 O ATOM 2299 CB GLN B 50 -20.460 7.460 -6.914 1.00 0.00 C ATOM 2300 CG GLN B 50 -21.552 7.223 -5.869 1.00 0.00 C ATOM 2301 CD GLN B 50 -22.555 6.202 -6.407 1.00 0.00 C ATOM 2302 OE1 GLN B 50 -22.182 5.269 -7.090 1.00 0.00 O ATOM 2303 NE2 GLN B 50 -23.822 6.342 -6.129 1.00 0.00 N ATOM 0 H GLN B 50 -21.031 9.897 -6.280 1.00 0.00 H new ATOM 0 HA GLN B 50 -18.835 8.007 -5.599 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -20.902 7.831 -7.839 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -19.962 6.521 -7.153 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -21.110 6.861 -4.941 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -22.059 8.160 -5.637 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -24.135 7.125 -5.556 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -24.500 5.668 -6.485 1.00 0.00 H new ATOM 2312 N GLU B 51 -18.923 9.984 -8.198 1.00 0.00 N ATOM 2313 CA GLU B 51 -18.102 10.474 -9.337 1.00 0.00 C ATOM 2314 C GLU B 51 -16.658 10.671 -8.894 1.00 0.00 C ATOM 2315 O GLU B 51 -15.741 10.565 -9.682 1.00 0.00 O ATOM 2316 CB GLU B 51 -18.678 11.793 -9.856 1.00 0.00 C ATOM 2317 CG GLU B 51 -19.972 11.511 -10.623 1.00 0.00 C ATOM 2318 CD GLU B 51 -20.564 12.826 -11.131 1.00 0.00 C ATOM 2319 OE1 GLU B 51 -21.200 13.508 -10.345 1.00 0.00 O ATOM 2320 OE2 GLU B 51 -20.371 13.128 -12.298 1.00 0.00 O ATOM 0 H GLU B 51 -19.768 10.523 -8.009 1.00 0.00 H new ATOM 0 HA GLU B 51 -18.124 9.735 -10.138 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -18.874 12.470 -9.024 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -17.956 12.288 -10.506 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -19.772 10.843 -11.461 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -20.688 11.005 -9.975 1.00 0.00 H new ATOM 2327 N VAL B 52 -16.428 10.929 -7.641 1.00 0.00 N ATOM 2328 CA VAL B 52 -15.026 11.089 -7.185 1.00 0.00 C ATOM 2329 C VAL B 52 -14.416 9.703 -7.101 1.00 0.00 C ATOM 2330 O VAL B 52 -13.280 9.486 -7.469 1.00 0.00 O ATOM 2331 CB VAL B 52 -14.996 11.774 -5.819 1.00 0.00 C ATOM 2332 CG1 VAL B 52 -15.635 13.161 -5.932 1.00 0.00 C ATOM 2333 CG2 VAL B 52 -15.780 10.931 -4.810 1.00 0.00 C ATOM 0 H VAL B 52 -17.142 11.035 -6.920 1.00 0.00 H new ATOM 0 HA VAL B 52 -14.459 11.710 -7.879 1.00 0.00 H new ATOM 0 HB VAL B 52 -13.964 11.875 -5.484 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -15.615 13.651 -4.959 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -15.078 13.761 -6.652 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -16.668 13.060 -6.266 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -15.760 11.418 -3.835 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -16.813 10.831 -5.144 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -15.327 9.943 -4.731 1.00 0.00 H new ATOM 2343 N VAL B 53 -15.179 8.754 -6.652 1.00 0.00 N ATOM 2344 CA VAL B 53 -14.662 7.371 -6.586 1.00 0.00 C ATOM 2345 C VAL B 53 -14.424 6.929 -8.023 1.00 0.00 C ATOM 2346 O VAL B 53 -13.620 6.069 -8.294 1.00 0.00 O ATOM 2347 CB VAL B 53 -15.679 6.462 -5.834 1.00 0.00 C ATOM 2348 CG1 VAL B 53 -16.422 5.518 -6.788 1.00 0.00 C ATOM 2349 CG2 VAL B 53 -14.954 5.618 -4.786 1.00 0.00 C ATOM 0 H VAL B 53 -16.138 8.878 -6.328 1.00 0.00 H new ATOM 0 HA VAL B 53 -13.728 7.303 -6.028 1.00 0.00 H new ATOM 0 HB VAL B 53 -16.406 7.122 -5.360 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -17.121 4.903 -6.221 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -16.971 6.104 -7.526 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -15.703 4.875 -7.297 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -15.674 4.986 -4.266 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -14.209 4.991 -5.276 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -14.462 6.274 -4.068 1.00 0.00 H new ATOM 2359 N ASP B 54 -15.112 7.539 -8.949 1.00 0.00 N ATOM 2360 CA ASP B 54 -14.902 7.174 -10.374 1.00 0.00 C ATOM 2361 C ASP B 54 -13.601 7.827 -10.823 1.00 0.00 C ATOM 2362 O ASP B 54 -12.840 7.271 -11.588 1.00 0.00 O ATOM 2363 CB ASP B 54 -16.066 7.683 -11.229 1.00 0.00 C ATOM 2364 CG ASP B 54 -17.330 6.891 -10.891 1.00 0.00 C ATOM 2365 OD1 ASP B 54 -17.511 5.829 -11.465 1.00 0.00 O ATOM 2366 OD2 ASP B 54 -18.095 7.360 -10.066 1.00 0.00 O ATOM 0 H ASP B 54 -15.805 8.268 -8.780 1.00 0.00 H new ATOM 0 HA ASP B 54 -14.851 6.091 -10.488 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -16.229 8.745 -11.045 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -15.828 7.575 -12.287 1.00 0.00 H new ATOM 2371 N LYS B 55 -13.331 9.005 -10.325 1.00 0.00 N ATOM 2372 CA LYS B 55 -12.064 9.694 -10.696 1.00 0.00 C ATOM 2373 C LYS B 55 -10.907 8.989 -9.983 1.00 0.00 C ATOM 2374 O LYS B 55 -9.971 8.526 -10.604 1.00 0.00 O ATOM 2375 CB LYS B 55 -12.144 11.169 -10.245 1.00 0.00 C ATOM 2376 CG LYS B 55 -10.740 11.769 -10.018 1.00 0.00 C ATOM 2377 CD LYS B 55 -10.865 13.239 -9.624 1.00 0.00 C ATOM 2378 CE LYS B 55 -9.563 13.701 -8.966 1.00 0.00 C ATOM 2379 NZ LYS B 55 -9.646 15.157 -8.664 1.00 0.00 N ATOM 0 H LYS B 55 -13.932 9.517 -9.679 1.00 0.00 H new ATOM 0 HA LYS B 55 -11.907 9.660 -11.774 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.673 11.753 -10.999 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -12.723 11.238 -9.324 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -10.220 11.216 -9.236 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -10.143 11.675 -10.925 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -11.076 13.846 -10.504 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -11.700 13.373 -8.937 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -9.387 13.138 -8.049 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -8.719 13.504 -9.627 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -8.761 15.470 -8.217 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -9.794 15.687 -9.547 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -10.441 15.333 -8.017 1.00 0.00 H new ATOM 2393 N VAL B 56 -10.963 8.926 -8.675 1.00 0.00 N ATOM 2394 CA VAL B 56 -9.863 8.269 -7.905 1.00 0.00 C ATOM 2395 C VAL B 56 -9.503 6.946 -8.588 1.00 0.00 C ATOM 2396 O VAL B 56 -8.346 6.638 -8.795 1.00 0.00 O ATOM 2397 CB VAL B 56 -10.312 8.074 -6.436 1.00 0.00 C ATOM 2398 CG1 VAL B 56 -11.002 6.718 -6.241 1.00 0.00 C ATOM 2399 CG2 VAL B 56 -9.100 8.152 -5.495 1.00 0.00 C ATOM 0 H VAL B 56 -11.723 9.301 -8.108 1.00 0.00 H new ATOM 0 HA VAL B 56 -8.968 8.891 -7.891 1.00 0.00 H new ATOM 0 HB VAL B 56 -11.019 8.869 -6.201 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -11.306 6.611 -5.200 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -11.881 6.661 -6.883 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -10.310 5.917 -6.502 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -9.429 8.013 -4.465 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -8.386 7.371 -5.756 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -8.624 9.127 -5.595 1.00 0.00 H new ATOM 2409 N MET B 57 -10.486 6.181 -8.975 1.00 0.00 N ATOM 2410 CA MET B 57 -10.184 4.905 -9.684 1.00 0.00 C ATOM 2411 C MET B 57 -9.394 5.250 -10.957 1.00 0.00 C ATOM 2412 O MET B 57 -8.481 4.556 -11.342 1.00 0.00 O ATOM 2413 CB MET B 57 -11.516 4.201 -10.058 1.00 0.00 C ATOM 2414 CG MET B 57 -11.596 2.808 -9.423 1.00 0.00 C ATOM 2415 SD MET B 57 -11.543 2.955 -7.620 1.00 0.00 S ATOM 2416 CE MET B 57 -12.265 1.339 -7.231 1.00 0.00 C ATOM 0 H MET B 57 -11.476 6.381 -8.833 1.00 0.00 H new ATOM 0 HA MET B 57 -9.601 4.236 -9.051 1.00 0.00 H new ATOM 0 HB2 MET B 57 -12.358 4.806 -9.723 1.00 0.00 H new ATOM 0 HB3 MET B 57 -11.595 4.116 -11.142 1.00 0.00 H new ATOM 0 HG2 MET B 57 -12.516 2.310 -9.730 1.00 0.00 H new ATOM 0 HG3 MET B 57 -10.768 2.191 -9.772 1.00 0.00 H new ATOM 0 HE1 MET B 57 -11.841 0.966 -6.298 1.00 0.00 H new ATOM 0 HE2 MET B 57 -13.345 1.439 -7.124 1.00 0.00 H new ATOM 0 HE3 MET B 57 -12.043 0.638 -8.036 1.00 0.00 H new ATOM 2426 N GLU B 58 -9.749 6.323 -11.608 1.00 0.00 N ATOM 2427 CA GLU B 58 -9.026 6.717 -12.853 1.00 0.00 C ATOM 2428 C GLU B 58 -7.579 7.052 -12.516 1.00 0.00 C ATOM 2429 O GLU B 58 -6.687 6.889 -13.324 1.00 0.00 O ATOM 2430 CB GLU B 58 -9.694 7.953 -13.464 1.00 0.00 C ATOM 2431 CG GLU B 58 -9.209 8.137 -14.906 1.00 0.00 C ATOM 2432 CD GLU B 58 -9.898 7.118 -15.817 1.00 0.00 C ATOM 2433 OE1 GLU B 58 -11.057 7.328 -16.137 1.00 0.00 O ATOM 2434 OE2 GLU B 58 -9.255 6.147 -16.181 1.00 0.00 O ATOM 0 H GLU B 58 -10.509 6.945 -11.333 1.00 0.00 H new ATOM 0 HA GLU B 58 -9.058 5.891 -13.564 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.778 7.840 -13.445 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.456 8.838 -12.873 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -9.427 9.149 -15.247 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -8.128 8.010 -14.955 1.00 0.00 H new ATOM 2441 N THR B 59 -7.346 7.533 -11.333 1.00 0.00 N ATOM 2442 CA THR B 59 -5.962 7.898 -10.934 1.00 0.00 C ATOM 2443 C THR B 59 -5.257 6.690 -10.320 1.00 0.00 C ATOM 2444 O THR B 59 -4.047 6.591 -10.355 1.00 0.00 O ATOM 2445 CB THR B 59 -6.024 9.025 -9.902 1.00 0.00 C ATOM 2446 OG1 THR B 59 -6.539 10.198 -10.517 1.00 0.00 O ATOM 2447 CG2 THR B 59 -4.621 9.303 -9.362 1.00 0.00 C ATOM 0 H THR B 59 -8.058 7.691 -10.620 1.00 0.00 H new ATOM 0 HA THR B 59 -5.407 8.224 -11.813 1.00 0.00 H new ATOM 0 HB THR B 59 -6.674 8.730 -9.079 1.00 0.00 H new ATOM 0 HG1 THR B 59 -6.581 10.922 -9.857 1.00 0.00 H new ATOM 0 HG21 THR B 59 -4.667 10.106 -8.627 1.00 0.00 H new ATOM 0 HG22 THR B 59 -4.227 8.402 -8.891 1.00 0.00 H new ATOM 0 HG23 THR B 59 -3.967 9.599 -10.183 1.00 0.00 H new ATOM 2455 N LEU B 60 -6.000 5.783 -9.732 1.00 0.00 N ATOM 2456 CA LEU B 60 -5.373 4.599 -9.085 1.00 0.00 C ATOM 2457 C LEU B 60 -5.571 3.339 -9.938 1.00 0.00 C ATOM 2458 O LEU B 60 -4.681 2.518 -10.039 1.00 0.00 O ATOM 2459 CB LEU B 60 -6.024 4.405 -7.718 1.00 0.00 C ATOM 2460 CG LEU B 60 -5.196 3.414 -6.908 1.00 0.00 C ATOM 2461 CD1 LEU B 60 -3.822 4.028 -6.517 1.00 0.00 C ATOM 2462 CD2 LEU B 60 -5.981 3.015 -5.651 1.00 0.00 C ATOM 0 H LEU B 60 -7.018 5.817 -9.675 1.00 0.00 H new ATOM 0 HA LEU B 60 -4.301 4.766 -8.980 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -6.089 5.358 -7.193 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -7.043 4.036 -7.836 1.00 0.00 H new ATOM 0 HG LEU B 60 -5.003 2.530 -7.515 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -3.250 3.302 -5.940 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -3.270 4.290 -7.420 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -3.981 4.924 -5.917 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -5.395 2.306 -5.066 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -6.182 3.902 -5.051 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -6.924 2.553 -5.942 1.00 0.00 H new ATOM 2474 N ASP B 61 -6.709 3.162 -10.557 1.00 0.00 N ATOM 2475 CA ASP B 61 -6.913 1.944 -11.395 1.00 0.00 C ATOM 2476 C ASP B 61 -5.850 1.885 -12.475 1.00 0.00 C ATOM 2477 O ASP B 61 -5.931 2.549 -13.489 1.00 0.00 O ATOM 2478 CB ASP B 61 -8.289 2.002 -12.037 1.00 0.00 C ATOM 2479 CG ASP B 61 -8.629 0.643 -12.647 1.00 0.00 C ATOM 2480 OD1 ASP B 61 -7.810 -0.255 -12.543 1.00 0.00 O ATOM 2481 OD2 ASP B 61 -9.701 0.527 -13.211 1.00 0.00 O ATOM 0 H ASP B 61 -7.501 3.804 -10.519 1.00 0.00 H new ATOM 0 HA ASP B 61 -6.839 1.054 -10.770 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -9.037 2.275 -11.293 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -8.310 2.773 -12.807 1.00 0.00 H new ATOM 2486 N GLU B 62 -4.858 1.074 -12.265 1.00 0.00 N ATOM 2487 CA GLU B 62 -3.775 0.934 -13.274 1.00 0.00 C ATOM 2488 C GLU B 62 -4.152 -0.199 -14.210 1.00 0.00 C ATOM 2489 O GLU B 62 -3.831 -0.192 -15.383 1.00 0.00 O ATOM 2490 CB GLU B 62 -2.451 0.621 -12.576 1.00 0.00 C ATOM 2491 CG GLU B 62 -1.899 1.897 -11.935 1.00 0.00 C ATOM 2492 CD GLU B 62 -0.600 1.577 -11.192 1.00 0.00 C ATOM 2493 OE1 GLU B 62 0.442 1.591 -11.827 1.00 0.00 O ATOM 2494 OE2 GLU B 62 -0.670 1.324 -10.001 1.00 0.00 O ATOM 0 H GLU B 62 -4.748 0.496 -11.431 1.00 0.00 H new ATOM 0 HA GLU B 62 -3.655 1.861 -13.834 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -2.601 -0.146 -11.816 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -1.734 0.222 -13.294 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -1.716 2.651 -12.701 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -2.631 2.315 -11.245 1.00 0.00 H new ATOM 2501 N ASP B 63 -4.858 -1.166 -13.702 1.00 0.00 N ATOM 2502 CA ASP B 63 -5.290 -2.294 -14.556 1.00 0.00 C ATOM 2503 C ASP B 63 -6.561 -1.867 -15.283 1.00 0.00 C ATOM 2504 O ASP B 63 -7.079 -2.575 -16.124 1.00 0.00 O ATOM 2505 CB ASP B 63 -5.571 -3.518 -13.679 1.00 0.00 C ATOM 2506 CG ASP B 63 -4.478 -3.641 -12.617 1.00 0.00 C ATOM 2507 OD1 ASP B 63 -3.419 -4.153 -12.942 1.00 0.00 O ATOM 2508 OD2 ASP B 63 -4.716 -3.217 -11.498 1.00 0.00 O ATOM 0 H ASP B 63 -5.154 -1.221 -12.727 1.00 0.00 H new ATOM 0 HA ASP B 63 -4.515 -2.554 -15.276 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -6.547 -3.422 -13.203 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -5.602 -4.419 -14.292 1.00 0.00 H new ATOM 2513 N GLY B 64 -7.071 -0.702 -14.963 1.00 0.00 N ATOM 2514 CA GLY B 64 -8.307 -0.232 -15.642 1.00 0.00 C ATOM 2515 C GLY B 64 -9.412 -1.249 -15.394 1.00 0.00 C ATOM 2516 O GLY B 64 -10.155 -1.604 -16.289 1.00 0.00 O ATOM 0 H GLY B 64 -6.685 -0.065 -14.266 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -8.600 0.746 -15.260 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -8.131 -0.117 -16.712 1.00 0.00 H new ATOM 2520 N ASP B 65 -9.518 -1.736 -14.183 1.00 0.00 N ATOM 2521 CA ASP B 65 -10.569 -2.758 -13.870 1.00 0.00 C ATOM 2522 C ASP B 65 -11.714 -2.105 -13.102 1.00 0.00 C ATOM 2523 O ASP B 65 -12.718 -2.729 -12.825 1.00 0.00 O ATOM 2524 CB ASP B 65 -9.957 -3.863 -13.007 1.00 0.00 C ATOM 2525 CG ASP B 65 -9.269 -3.241 -11.791 1.00 0.00 C ATOM 2526 OD1 ASP B 65 -9.247 -2.024 -11.705 1.00 0.00 O ATOM 2527 OD2 ASP B 65 -8.777 -3.992 -10.965 1.00 0.00 O ATOM 0 H ASP B 65 -8.924 -1.472 -13.397 1.00 0.00 H new ATOM 0 HA ASP B 65 -10.949 -3.178 -14.801 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -10.732 -4.557 -12.683 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -9.238 -4.438 -13.590 1.00 0.00 H new ATOM 2532 N GLY B 66 -11.574 -0.862 -12.743 1.00 0.00 N ATOM 2533 CA GLY B 66 -12.663 -0.195 -11.978 1.00 0.00 C ATOM 2534 C GLY B 66 -12.678 -0.781 -10.571 1.00 0.00 C ATOM 2535 O GLY B 66 -13.471 -0.410 -9.729 1.00 0.00 O ATOM 0 H GLY B 66 -10.760 -0.282 -12.944 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -12.498 0.882 -11.940 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -13.624 -0.353 -12.467 1.00 0.00 H new ATOM 2539 N GLU B 67 -11.779 -1.696 -10.322 1.00 0.00 N ATOM 2540 CA GLU B 67 -11.673 -2.341 -8.983 1.00 0.00 C ATOM 2541 C GLU B 67 -10.223 -2.214 -8.531 1.00 0.00 C ATOM 2542 O GLU B 67 -9.355 -1.899 -9.321 1.00 0.00 O ATOM 2543 CB GLU B 67 -12.052 -3.821 -9.094 1.00 0.00 C ATOM 2544 CG GLU B 67 -13.567 -3.947 -9.258 1.00 0.00 C ATOM 2545 CD GLU B 67 -13.965 -5.423 -9.216 1.00 0.00 C ATOM 2546 OE1 GLU B 67 -13.148 -6.248 -9.589 1.00 0.00 O ATOM 2547 OE2 GLU B 67 -15.082 -5.703 -8.813 1.00 0.00 O ATOM 0 H GLU B 67 -11.100 -2.029 -11.006 1.00 0.00 H new ATOM 0 HA GLU B 67 -12.344 -1.864 -8.268 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -11.544 -4.275 -9.945 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -11.726 -4.359 -8.204 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -14.076 -3.400 -8.465 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -13.879 -3.502 -10.203 1.00 0.00 H new ATOM 2554 N CYS B 68 -9.947 -2.435 -7.272 1.00 0.00 N ATOM 2555 CA CYS B 68 -8.539 -2.302 -6.776 1.00 0.00 C ATOM 2556 C CYS B 68 -8.107 -3.561 -6.028 1.00 0.00 C ATOM 2557 O CYS B 68 -8.414 -3.736 -4.866 1.00 0.00 O ATOM 2558 CB CYS B 68 -8.455 -1.105 -5.829 1.00 0.00 C ATOM 2559 SG CYS B 68 -8.811 0.417 -6.743 1.00 0.00 S ATOM 0 H CYS B 68 -10.632 -2.701 -6.565 1.00 0.00 H new ATOM 0 HA CYS B 68 -7.878 -2.159 -7.631 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -9.165 -1.225 -5.011 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -7.462 -1.050 -5.383 1.00 0.00 H new ATOM 0 HG CYS B 68 -8.083 0.457 -7.820 1.00 0.00 H new ATOM 2565 N ASP B 69 -7.410 -4.447 -6.694 1.00 0.00 N ATOM 2566 CA ASP B 69 -6.954 -5.694 -6.018 1.00 0.00 C ATOM 2567 C ASP B 69 -6.159 -5.300 -4.763 1.00 0.00 C ATOM 2568 O ASP B 69 -6.246 -4.186 -4.299 1.00 0.00 O ATOM 2569 CB ASP B 69 -6.077 -6.518 -6.977 1.00 0.00 C ATOM 2570 CG ASP B 69 -6.526 -6.274 -8.420 1.00 0.00 C ATOM 2571 OD1 ASP B 69 -7.711 -6.070 -8.625 1.00 0.00 O ATOM 2572 OD2 ASP B 69 -5.676 -6.297 -9.294 1.00 0.00 O ATOM 0 H ASP B 69 -7.139 -4.359 -7.673 1.00 0.00 H new ATOM 0 HA ASP B 69 -7.810 -6.305 -5.733 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -5.030 -6.239 -6.859 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -6.153 -7.578 -6.736 1.00 0.00 H new ATOM 2577 N PHE B 70 -5.387 -6.187 -4.198 1.00 0.00 N ATOM 2578 CA PHE B 70 -4.625 -5.818 -2.968 1.00 0.00 C ATOM 2579 C PHE B 70 -3.429 -4.906 -3.303 1.00 0.00 C ATOM 2580 O PHE B 70 -3.175 -3.933 -2.620 1.00 0.00 O ATOM 2581 CB PHE B 70 -4.122 -7.100 -2.282 1.00 0.00 C ATOM 2582 CG PHE B 70 -3.824 -8.155 -3.327 1.00 0.00 C ATOM 2583 CD1 PHE B 70 -2.605 -8.146 -4.012 1.00 0.00 C ATOM 2584 CD2 PHE B 70 -4.780 -9.135 -3.615 1.00 0.00 C ATOM 2585 CE1 PHE B 70 -2.340 -9.117 -4.986 1.00 0.00 C ATOM 2586 CE2 PHE B 70 -4.518 -10.104 -4.591 1.00 0.00 C ATOM 2587 CZ PHE B 70 -3.298 -10.094 -5.276 1.00 0.00 C ATOM 0 H PHE B 70 -5.250 -7.142 -4.529 1.00 0.00 H new ATOM 0 HA PHE B 70 -5.290 -5.270 -2.300 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.225 -6.885 -1.702 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -4.873 -7.469 -1.583 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -1.867 -7.389 -3.790 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -5.721 -9.144 -3.084 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -1.397 -9.111 -5.513 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -5.257 -10.859 -4.815 1.00 0.00 H new ATOM 0 HZ PHE B 70 -3.096 -10.841 -6.029 1.00 0.00 H new ATOM 2597 N GLN B 71 -2.679 -5.225 -4.320 1.00 0.00 N ATOM 2598 CA GLN B 71 -1.491 -4.391 -4.658 1.00 0.00 C ATOM 2599 C GLN B 71 -1.924 -2.972 -5.029 1.00 0.00 C ATOM 2600 O GLN B 71 -1.207 -2.013 -4.801 1.00 0.00 O ATOM 2601 CB GLN B 71 -0.687 -5.027 -5.810 1.00 0.00 C ATOM 2602 CG GLN B 71 -1.613 -5.539 -6.922 1.00 0.00 C ATOM 2603 CD GLN B 71 -2.324 -4.362 -7.591 1.00 0.00 C ATOM 2604 OE1 GLN B 71 -3.535 -4.337 -7.675 1.00 0.00 O ATOM 2605 NE2 GLN B 71 -1.616 -3.380 -8.077 1.00 0.00 N ATOM 0 H GLN B 71 -2.836 -6.026 -4.932 1.00 0.00 H new ATOM 0 HA GLN B 71 -0.848 -4.340 -3.780 1.00 0.00 H new ATOM 0 HB2 GLN B 71 0.006 -4.293 -6.221 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -0.087 -5.852 -5.425 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -1.035 -6.094 -7.661 1.00 0.00 H new ATOM 0 HG3 GLN B 71 -2.347 -6.230 -6.507 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -0.599 -3.401 -8.006 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -2.080 -2.591 -8.528 1.00 0.00 H new ATOM 2614 N GLU B 72 -3.099 -2.811 -5.572 1.00 0.00 N ATOM 2615 CA GLU B 72 -3.569 -1.443 -5.933 1.00 0.00 C ATOM 2616 C GLU B 72 -4.364 -0.872 -4.762 1.00 0.00 C ATOM 2617 O GLU B 72 -4.243 0.286 -4.422 1.00 0.00 O ATOM 2618 CB GLU B 72 -4.453 -1.536 -7.181 1.00 0.00 C ATOM 2619 CG GLU B 72 -4.893 -0.140 -7.627 1.00 0.00 C ATOM 2620 CD GLU B 72 -5.786 -0.270 -8.858 1.00 0.00 C ATOM 2621 OE1 GLU B 72 -5.262 -0.570 -9.917 1.00 0.00 O ATOM 2622 OE2 GLU B 72 -6.982 -0.066 -8.721 1.00 0.00 O ATOM 0 H GLU B 72 -3.753 -3.565 -5.781 1.00 0.00 H new ATOM 0 HA GLU B 72 -2.722 -0.789 -6.144 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -3.906 -2.027 -7.986 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -5.328 -2.150 -6.970 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -5.432 0.360 -6.822 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -4.022 0.474 -7.857 1.00 0.00 H new ATOM 2629 N PHE B 73 -5.173 -1.674 -4.137 1.00 0.00 N ATOM 2630 CA PHE B 73 -5.964 -1.164 -2.987 1.00 0.00 C ATOM 2631 C PHE B 73 -5.015 -0.561 -1.965 1.00 0.00 C ATOM 2632 O PHE B 73 -5.254 0.501 -1.432 1.00 0.00 O ATOM 2633 CB PHE B 73 -6.751 -2.314 -2.358 1.00 0.00 C ATOM 2634 CG PHE B 73 -7.321 -1.928 -1.006 1.00 0.00 C ATOM 2635 CD1 PHE B 73 -7.916 -0.672 -0.802 1.00 0.00 C ATOM 2636 CD2 PHE B 73 -7.278 -2.854 0.045 1.00 0.00 C ATOM 2637 CE1 PHE B 73 -8.460 -0.352 0.445 1.00 0.00 C ATOM 2638 CE2 PHE B 73 -7.830 -2.532 1.286 1.00 0.00 C ATOM 2639 CZ PHE B 73 -8.420 -1.283 1.486 1.00 0.00 C ATOM 0 H PHE B 73 -5.321 -2.656 -4.370 1.00 0.00 H new ATOM 0 HA PHE B 73 -6.665 -0.401 -3.326 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -7.562 -2.608 -3.025 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -6.101 -3.181 -2.245 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -7.953 0.046 -1.608 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -6.817 -3.819 -0.106 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -8.912 0.616 0.604 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -7.801 -3.250 2.092 1.00 0.00 H new ATOM 0 HZ PHE B 73 -8.846 -1.036 2.447 1.00 0.00 H new ATOM 2649 N MET B 74 -3.919 -1.202 -1.704 1.00 0.00 N ATOM 2650 CA MET B 74 -2.965 -0.610 -0.743 1.00 0.00 C ATOM 2651 C MET B 74 -2.559 0.735 -1.336 1.00 0.00 C ATOM 2652 O MET B 74 -2.517 1.750 -0.669 1.00 0.00 O ATOM 2653 CB MET B 74 -1.747 -1.542 -0.593 1.00 0.00 C ATOM 2654 CG MET B 74 -1.039 -1.335 0.773 1.00 0.00 C ATOM 2655 SD MET B 74 -1.318 -2.768 1.849 1.00 0.00 S ATOM 2656 CE MET B 74 0.107 -2.513 2.939 1.00 0.00 C ATOM 0 H MET B 74 -3.645 -2.098 -2.108 1.00 0.00 H new ATOM 0 HA MET B 74 -3.398 -0.480 0.249 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.068 -2.580 -0.684 1.00 0.00 H new ATOM 0 HB3 MET B 74 -1.041 -1.354 -1.402 1.00 0.00 H new ATOM 0 HG2 MET B 74 0.030 -1.191 0.618 1.00 0.00 H new ATOM 0 HG3 MET B 74 -1.416 -0.432 1.253 1.00 0.00 H new ATOM 0 HE1 MET B 74 0.142 -3.308 3.684 1.00 0.00 H new ATOM 0 HE2 MET B 74 1.023 -2.527 2.349 1.00 0.00 H new ATOM 0 HE3 MET B 74 0.013 -1.550 3.441 1.00 0.00 H new ATOM 2666 N ALA B 75 -2.260 0.727 -2.605 1.00 0.00 N ATOM 2667 CA ALA B 75 -1.853 1.996 -3.276 1.00 0.00 C ATOM 2668 C ALA B 75 -2.902 3.083 -2.995 1.00 0.00 C ATOM 2669 O ALA B 75 -2.637 4.259 -3.141 1.00 0.00 O ATOM 2670 CB ALA B 75 -1.710 1.766 -4.784 1.00 0.00 C ATOM 0 H ALA B 75 -2.279 -0.098 -3.205 1.00 0.00 H new ATOM 0 HA ALA B 75 -0.890 2.323 -2.883 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -1.413 2.697 -5.267 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -0.952 1.004 -4.966 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -2.664 1.433 -5.193 1.00 0.00 H new ATOM 2676 N PHE B 76 -4.084 2.706 -2.576 1.00 0.00 N ATOM 2677 CA PHE B 76 -5.122 3.741 -2.270 1.00 0.00 C ATOM 2678 C PHE B 76 -4.771 4.412 -0.944 1.00 0.00 C ATOM 2679 O PHE B 76 -4.605 5.613 -0.870 1.00 0.00 O ATOM 2680 CB PHE B 76 -6.512 3.102 -2.167 1.00 0.00 C ATOM 2681 CG PHE B 76 -7.551 4.175 -1.922 1.00 0.00 C ATOM 2682 CD1 PHE B 76 -7.714 4.712 -0.638 1.00 0.00 C ATOM 2683 CD2 PHE B 76 -8.354 4.633 -2.976 1.00 0.00 C ATOM 2684 CE1 PHE B 76 -8.675 5.702 -0.409 1.00 0.00 C ATOM 2685 CE2 PHE B 76 -9.315 5.625 -2.744 1.00 0.00 C ATOM 2686 CZ PHE B 76 -9.475 6.159 -1.459 1.00 0.00 C ATOM 0 H PHE B 76 -4.374 1.739 -2.433 1.00 0.00 H new ATOM 0 HA PHE B 76 -5.140 4.476 -3.074 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -6.743 2.562 -3.085 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -6.529 2.374 -1.356 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -7.097 4.361 0.176 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -8.232 4.221 -3.967 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -8.799 6.114 0.582 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -9.933 5.978 -3.556 1.00 0.00 H new ATOM 0 HZ PHE B 76 -10.216 6.924 -1.280 1.00 0.00 H new ATOM 2696 N VAL B 77 -4.640 3.644 0.102 1.00 0.00 N ATOM 2697 CA VAL B 77 -4.282 4.242 1.420 1.00 0.00 C ATOM 2698 C VAL B 77 -2.992 5.042 1.256 1.00 0.00 C ATOM 2699 O VAL B 77 -2.777 6.050 1.898 1.00 0.00 O ATOM 2700 CB VAL B 77 -4.047 3.123 2.439 1.00 0.00 C ATOM 2701 CG1 VAL B 77 -3.488 3.720 3.731 1.00 0.00 C ATOM 2702 CG2 VAL B 77 -5.366 2.404 2.737 1.00 0.00 C ATOM 0 H VAL B 77 -4.765 2.632 0.102 1.00 0.00 H new ATOM 0 HA VAL B 77 -5.088 4.888 1.767 1.00 0.00 H new ATOM 0 HB VAL B 77 -3.334 2.408 2.028 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -3.320 2.924 4.457 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -2.545 4.224 3.521 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -4.200 4.438 4.138 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -5.191 1.609 3.462 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -6.084 3.116 3.144 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -5.762 1.975 1.817 1.00 0.00 H new ATOM 2712 N SER B 78 -2.136 4.580 0.395 1.00 0.00 N ATOM 2713 CA SER B 78 -0.844 5.268 0.154 1.00 0.00 C ATOM 2714 C SER B 78 -1.109 6.657 -0.414 1.00 0.00 C ATOM 2715 O SER B 78 -0.420 7.609 -0.112 1.00 0.00 O ATOM 2716 CB SER B 78 -0.046 4.453 -0.856 1.00 0.00 C ATOM 2717 OG SER B 78 1.304 4.899 -0.864 1.00 0.00 O ATOM 0 H SER B 78 -2.280 3.738 -0.163 1.00 0.00 H new ATOM 0 HA SER B 78 -0.288 5.361 1.087 1.00 0.00 H new ATOM 0 HB2 SER B 78 -0.089 3.394 -0.600 1.00 0.00 H new ATOM 0 HB3 SER B 78 -0.481 4.559 -1.850 1.00 0.00 H new ATOM 0 HG SER B 78 1.821 4.365 -1.503 1.00 0.00 H new ATOM 2723 N MET B 79 -2.113 6.778 -1.227 1.00 0.00 N ATOM 2724 CA MET B 79 -2.444 8.102 -1.815 1.00 0.00 C ATOM 2725 C MET B 79 -3.056 8.974 -0.730 1.00 0.00 C ATOM 2726 O MET B 79 -2.967 10.185 -0.760 1.00 0.00 O ATOM 2727 CB MET B 79 -3.437 7.932 -2.975 1.00 0.00 C ATOM 2728 CG MET B 79 -3.755 9.303 -3.618 1.00 0.00 C ATOM 2729 SD MET B 79 -3.837 9.131 -5.422 1.00 0.00 S ATOM 2730 CE MET B 79 -5.560 8.590 -5.525 1.00 0.00 C ATOM 0 H MET B 79 -2.724 6.013 -1.513 1.00 0.00 H new ATOM 0 HA MET B 79 -1.540 8.571 -2.203 1.00 0.00 H new ATOM 0 HB2 MET B 79 -3.019 7.260 -3.724 1.00 0.00 H new ATOM 0 HB3 MET B 79 -4.356 7.472 -2.611 1.00 0.00 H new ATOM 0 HG2 MET B 79 -4.703 9.683 -3.236 1.00 0.00 H new ATOM 0 HG3 MET B 79 -2.988 10.029 -3.347 1.00 0.00 H new ATOM 0 HE1 MET B 79 -5.827 8.423 -6.568 1.00 0.00 H new ATOM 0 HE2 MET B 79 -5.684 7.663 -4.965 1.00 0.00 H new ATOM 0 HE3 MET B 79 -6.208 9.358 -5.103 1.00 0.00 H new ATOM 2740 N VAL B 80 -3.649 8.358 0.249 1.00 0.00 N ATOM 2741 CA VAL B 80 -4.240 9.125 1.367 1.00 0.00 C ATOM 2742 C VAL B 80 -3.122 9.381 2.345 1.00 0.00 C ATOM 2743 O VAL B 80 -3.018 10.437 2.936 1.00 0.00 O ATOM 2744 CB VAL B 80 -5.332 8.303 2.058 1.00 0.00 C ATOM 2745 CG1 VAL B 80 -5.889 9.085 3.250 1.00 0.00 C ATOM 2746 CG2 VAL B 80 -6.461 8.011 1.073 1.00 0.00 C ATOM 0 H VAL B 80 -3.749 7.345 0.320 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.688 10.051 1.007 1.00 0.00 H new ATOM 0 HB VAL B 80 -4.903 7.363 2.407 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -6.666 8.498 3.740 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -5.086 9.288 3.959 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -6.312 10.027 2.901 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -7.235 7.426 1.570 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -6.887 8.950 0.719 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -6.068 7.448 0.226 1.00 0.00 H new ATOM 2756 N THR B 81 -2.267 8.414 2.510 1.00 0.00 N ATOM 2757 CA THR B 81 -1.140 8.599 3.442 1.00 0.00 C ATOM 2758 C THR B 81 -0.218 9.643 2.852 1.00 0.00 C ATOM 2759 O THR B 81 0.358 10.445 3.560 1.00 0.00 O ATOM 2760 CB THR B 81 -0.378 7.282 3.604 1.00 0.00 C ATOM 2761 OG1 THR B 81 -1.266 6.275 4.064 1.00 0.00 O ATOM 2762 CG2 THR B 81 0.765 7.459 4.608 1.00 0.00 C ATOM 0 H THR B 81 -2.305 7.510 2.039 1.00 0.00 H new ATOM 0 HA THR B 81 -1.506 8.915 4.419 1.00 0.00 H new ATOM 0 HB THR B 81 0.038 6.988 2.640 1.00 0.00 H new ATOM 0 HG1 THR B 81 -2.166 6.651 4.161 1.00 0.00 H new ATOM 0 HG21 THR B 81 1.302 6.517 4.717 1.00 0.00 H new ATOM 0 HG22 THR B 81 1.449 8.227 4.248 1.00 0.00 H new ATOM 0 HG23 THR B 81 0.358 7.759 5.574 1.00 0.00 H new ATOM 2770 N THR B 82 -0.040 9.634 1.557 1.00 0.00 N ATOM 2771 CA THR B 82 0.882 10.624 0.944 1.00 0.00 C ATOM 2772 C THR B 82 0.344 12.040 1.098 1.00 0.00 C ATOM 2773 O THR B 82 1.090 12.957 1.373 1.00 0.00 O ATOM 2774 CB THR B 82 1.051 10.290 -0.529 1.00 0.00 C ATOM 2775 OG1 THR B 82 -0.230 10.156 -1.126 1.00 0.00 O ATOM 2776 CG2 THR B 82 1.831 8.972 -0.660 1.00 0.00 C ATOM 0 H THR B 82 -0.490 8.990 0.906 1.00 0.00 H new ATOM 0 HA THR B 82 1.845 10.575 1.452 1.00 0.00 H new ATOM 0 HB THR B 82 1.601 11.085 -1.032 1.00 0.00 H new ATOM 0 HG1 THR B 82 -0.142 10.197 -2.101 1.00 0.00 H new ATOM 0 HG21 THR B 82 1.956 8.726 -1.715 1.00 0.00 H new ATOM 0 HG22 THR B 82 2.811 9.081 -0.194 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.281 8.173 -0.164 1.00 0.00 H new ATOM 2784 N ALA B 83 -0.937 12.249 0.940 1.00 0.00 N ATOM 2785 CA ALA B 83 -1.466 13.626 1.100 1.00 0.00 C ATOM 2786 C ALA B 83 -1.128 14.107 2.505 1.00 0.00 C ATOM 2787 O ALA B 83 -0.659 15.212 2.700 1.00 0.00 O ATOM 2788 CB ALA B 83 -2.985 13.618 0.908 1.00 0.00 C ATOM 0 H ALA B 83 -1.627 11.534 0.710 1.00 0.00 H new ATOM 0 HA ALA B 83 -1.021 14.290 0.359 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -3.372 14.630 1.026 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -3.224 13.252 -0.091 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -3.442 12.966 1.652 1.00 0.00 H new ATOM 2794 N CYS B 84 -1.344 13.277 3.488 1.00 0.00 N ATOM 2795 CA CYS B 84 -1.010 13.688 4.882 1.00 0.00 C ATOM 2796 C CYS B 84 0.507 13.847 4.989 1.00 0.00 C ATOM 2797 O CYS B 84 1.028 14.354 5.963 1.00 0.00 O ATOM 2798 CB CYS B 84 -1.488 12.617 5.864 1.00 0.00 C ATOM 2799 SG CYS B 84 -3.287 12.714 6.033 1.00 0.00 S ATOM 0 H CYS B 84 -1.734 12.340 3.389 1.00 0.00 H new ATOM 0 HA CYS B 84 -1.502 14.630 5.123 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -1.198 11.628 5.509 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -1.013 12.760 6.834 1.00 0.00 H new ATOM 0 HG CYS B 84 -3.649 12.148 7.146 1.00 0.00 H new ATOM 2805 N HIS B 85 1.215 13.417 3.978 1.00 0.00 N ATOM 2806 CA HIS B 85 2.707 13.529 3.977 1.00 0.00 C ATOM 2807 C HIS B 85 3.115 14.719 3.099 1.00 0.00 C ATOM 2808 O HIS B 85 3.978 15.497 3.445 1.00 0.00 O ATOM 2809 CB HIS B 85 3.293 12.233 3.393 1.00 0.00 C ATOM 2810 CG HIS B 85 4.753 12.097 3.750 1.00 0.00 C ATOM 2811 ND1 HIS B 85 5.294 10.896 4.180 1.00 0.00 N ATOM 2812 CD2 HIS B 85 5.799 12.988 3.731 1.00 0.00 C ATOM 2813 CE1 HIS B 85 6.604 11.094 4.402 1.00 0.00 C ATOM 2814 NE2 HIS B 85 6.966 12.352 4.143 1.00 0.00 N ATOM 0 H HIS B 85 0.820 12.987 3.142 1.00 0.00 H new ATOM 0 HA HIS B 85 3.080 13.680 4.990 1.00 0.00 H new ATOM 0 HB2 HIS B 85 2.739 11.374 3.773 1.00 0.00 H new ATOM 0 HB3 HIS B 85 3.177 12.232 2.309 1.00 0.00 H new ATOM 0 HD2 HIS B 85 5.726 14.026 3.440 1.00 0.00 H new ATOM 0 HE1 HIS B 85 7.282 10.328 4.748 1.00 0.00 H new ATOM 0 HE2 HIS B 85 7.897 12.759 4.229 1.00 0.00 H new ATOM 2822 N GLU B 86 2.484 14.866 1.966 1.00 0.00 N ATOM 2823 CA GLU B 86 2.824 15.997 1.057 1.00 0.00 C ATOM 2824 C GLU B 86 2.368 17.320 1.677 1.00 0.00 C ATOM 2825 O GLU B 86 3.044 18.325 1.583 1.00 0.00 O ATOM 2826 CB GLU B 86 2.117 15.775 -0.287 1.00 0.00 C ATOM 2827 CG GLU B 86 2.316 16.983 -1.210 1.00 0.00 C ATOM 2828 CD GLU B 86 3.809 17.284 -1.359 1.00 0.00 C ATOM 2829 OE1 GLU B 86 4.480 16.530 -2.044 1.00 0.00 O ATOM 2830 OE2 GLU B 86 4.254 18.266 -0.788 1.00 0.00 O ATOM 0 H GLU B 86 1.745 14.249 1.630 1.00 0.00 H new ATOM 0 HA GLU B 86 3.902 16.040 0.905 1.00 0.00 H new ATOM 0 HB2 GLU B 86 2.508 14.877 -0.765 1.00 0.00 H new ATOM 0 HB3 GLU B 86 1.053 15.610 -0.121 1.00 0.00 H new ATOM 0 HG2 GLU B 86 1.877 16.781 -2.187 1.00 0.00 H new ATOM 0 HG3 GLU B 86 1.800 17.852 -0.802 1.00 0.00 H new ATOM 2837 N PHE B 87 1.229 17.329 2.307 1.00 0.00 N ATOM 2838 CA PHE B 87 0.729 18.589 2.930 1.00 0.00 C ATOM 2839 C PHE B 87 1.753 19.103 3.946 1.00 0.00 C ATOM 2840 O PHE B 87 2.250 20.206 3.835 1.00 0.00 O ATOM 2841 CB PHE B 87 -0.600 18.308 3.635 1.00 0.00 C ATOM 2842 CG PHE B 87 -1.271 19.612 3.996 1.00 0.00 C ATOM 2843 CD1 PHE B 87 -0.884 20.302 5.151 1.00 0.00 C ATOM 2844 CD2 PHE B 87 -2.286 20.128 3.180 1.00 0.00 C ATOM 2845 CE1 PHE B 87 -1.510 21.507 5.490 1.00 0.00 C ATOM 2846 CE2 PHE B 87 -2.913 21.333 3.520 1.00 0.00 C ATOM 2847 CZ PHE B 87 -2.524 22.022 4.674 1.00 0.00 C ATOM 0 H PHE B 87 0.620 16.518 2.419 1.00 0.00 H new ATOM 0 HA PHE B 87 0.581 19.345 2.159 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -1.250 17.721 2.986 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -0.428 17.716 4.534 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -0.102 19.904 5.781 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -2.585 19.596 2.289 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -1.211 22.039 6.381 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -3.696 21.730 2.892 1.00 0.00 H new ATOM 0 HZ PHE B 87 -3.007 22.952 4.935 1.00 0.00 H new ATOM 2857 N PHE B 88 2.079 18.313 4.931 1.00 0.00 N ATOM 2858 CA PHE B 88 3.077 18.761 5.945 1.00 0.00 C ATOM 2859 C PHE B 88 4.429 18.981 5.265 1.00 0.00 C ATOM 2860 O PHE B 88 5.211 19.819 5.669 1.00 0.00 O ATOM 2861 CB PHE B 88 3.221 17.687 7.027 1.00 0.00 C ATOM 2862 CG PHE B 88 3.943 18.261 8.221 1.00 0.00 C ATOM 2863 CD1 PHE B 88 3.231 18.971 9.195 1.00 0.00 C ATOM 2864 CD2 PHE B 88 5.326 18.084 8.356 1.00 0.00 C ATOM 2865 CE1 PHE B 88 3.899 19.504 10.303 1.00 0.00 C ATOM 2866 CE2 PHE B 88 5.995 18.617 9.464 1.00 0.00 C ATOM 2867 CZ PHE B 88 5.282 19.326 10.437 1.00 0.00 C ATOM 0 H PHE B 88 1.699 17.378 5.078 1.00 0.00 H new ATOM 0 HA PHE B 88 2.741 19.693 6.399 1.00 0.00 H new ATOM 0 HB2 PHE B 88 2.238 17.323 7.325 1.00 0.00 H new ATOM 0 HB3 PHE B 88 3.771 16.832 6.634 1.00 0.00 H new ATOM 0 HD1 PHE B 88 2.165 19.108 9.091 1.00 0.00 H new ATOM 0 HD2 PHE B 88 5.876 17.536 7.605 1.00 0.00 H new ATOM 0 HE1 PHE B 88 3.349 20.052 11.054 1.00 0.00 H new ATOM 0 HE2 PHE B 88 7.061 18.481 9.568 1.00 0.00 H new ATOM 0 HZ PHE B 88 5.798 19.736 11.292 1.00 0.00 H new ATOM 2877 N GLU B 89 4.712 18.228 4.235 1.00 0.00 N ATOM 2878 CA GLU B 89 6.014 18.380 3.519 1.00 0.00 C ATOM 2879 C GLU B 89 5.858 19.396 2.381 1.00 0.00 C ATOM 2880 O GLU B 89 6.750 19.592 1.583 1.00 0.00 O ATOM 2881 CB GLU B 89 6.430 17.013 2.955 1.00 0.00 C ATOM 2882 CG GLU B 89 7.936 16.986 2.677 1.00 0.00 C ATOM 2883 CD GLU B 89 8.310 15.648 2.028 1.00 0.00 C ATOM 2884 OE1 GLU B 89 7.859 14.622 2.516 1.00 0.00 O ATOM 2885 OE2 GLU B 89 9.044 15.673 1.053 1.00 0.00 O ATOM 0 H GLU B 89 4.094 17.510 3.856 1.00 0.00 H new ATOM 0 HA GLU B 89 6.780 18.739 4.206 1.00 0.00 H new ATOM 0 HB2 GLU B 89 6.170 16.226 3.663 1.00 0.00 H new ATOM 0 HB3 GLU B 89 5.880 16.809 2.036 1.00 0.00 H new ATOM 0 HG2 GLU B 89 8.210 17.811 2.020 1.00 0.00 H new ATOM 0 HG3 GLU B 89 8.491 17.120 3.606 1.00 0.00 H new ATOM 2892 N HIS B 90 4.730 20.052 2.305 1.00 0.00 N ATOM 2893 CA HIS B 90 4.532 21.057 1.221 1.00 0.00 C ATOM 2894 C HIS B 90 5.474 22.237 1.462 1.00 0.00 C ATOM 2895 O HIS B 90 5.220 23.090 2.288 1.00 0.00 O ATOM 2896 CB HIS B 90 3.081 21.552 1.230 1.00 0.00 C ATOM 2897 CG HIS B 90 2.900 22.602 0.168 1.00 0.00 C ATOM 2898 ND1 HIS B 90 1.855 23.518 0.199 1.00 0.00 N ATOM 2899 CD2 HIS B 90 3.620 22.895 -0.965 1.00 0.00 C ATOM 2900 CE1 HIS B 90 1.975 24.307 -0.885 1.00 0.00 C ATOM 2901 NE2 HIS B 90 3.032 23.968 -1.625 1.00 0.00 N ATOM 0 H HIS B 90 3.942 19.936 2.942 1.00 0.00 H new ATOM 0 HA HIS B 90 4.746 20.600 0.255 1.00 0.00 H new ATOM 0 HB2 HIS B 90 2.401 20.719 1.052 1.00 0.00 H new ATOM 0 HB3 HIS B 90 2.832 21.963 2.208 1.00 0.00 H new ATOM 0 HD2 HIS B 90 4.506 22.372 -1.292 1.00 0.00 H new ATOM 0 HE1 HIS B 90 1.299 25.114 -1.126 1.00 0.00 H new ATOM 0 HE2 HIS B 90 3.343 24.404 -2.493 1.00 0.00 H new ATOM 2910 N GLU B 91 6.565 22.293 0.746 1.00 0.00 N ATOM 2911 CA GLU B 91 7.522 23.416 0.937 1.00 0.00 C ATOM 2912 C GLU B 91 6.868 24.725 0.487 1.00 0.00 C ATOM 2913 O GLU B 91 7.574 25.716 0.398 1.00 0.00 O ATOM 2914 CB GLU B 91 8.781 23.161 0.106 1.00 0.00 C ATOM 2915 CG GLU B 91 9.552 21.977 0.697 1.00 0.00 C ATOM 2916 CD GLU B 91 10.148 22.378 2.048 1.00 0.00 C ATOM 2917 OE1 GLU B 91 10.344 23.563 2.259 1.00 0.00 O ATOM 2918 OE2 GLU B 91 10.397 21.493 2.849 1.00 0.00 O ATOM 2919 OXT GLU B 91 5.674 24.712 0.240 1.00 0.00 O ATOM 0 H GLU B 91 6.833 21.609 0.038 1.00 0.00 H new ATOM 0 HA GLU B 91 7.792 23.489 1.991 1.00 0.00 H new ATOM 0 HB2 GLU B 91 8.510 22.952 -0.929 1.00 0.00 H new ATOM 0 HB3 GLU B 91 9.410 24.051 0.098 1.00 0.00 H new ATOM 0 HG2 GLU B 91 8.887 21.122 0.820 1.00 0.00 H new ATOM 0 HG3 GLU B 91 10.345 21.669 0.015 1.00 0.00 H new TER 2926 GLU B 91 HETATM 2927 CA CA A 92 14.994 8.043 -2.135 1.00 0.00 CA HETATM 2928 CA CA A 93 6.912 1.985 -10.401 1.00 0.00 CA HETATM 2929 ZN ZN A 94 7.833 12.530 2.247 1.00 0.00 ZN HETATM 2930 CA CA B 92 -15.213 -7.878 -2.215 1.00 0.00 CA HETATM 2931 CA CA B 93 -6.948 -1.949 -10.476 1.00 0.00 CA HETATM 2932 ZN ZN B 94 -7.797 -12.518 1.873 1.00 0.00 ZN