USER MOD reduce.3.24.130724 H: found=0, std=0, add=1588, rem=0, adj=58 USER MOD reduce.3.24.130724 removed 1592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 55 LYS NZ :NH3+ 178:sc= -2.65! (180deg=-2.9!) USER MOD Set 1.2: Y 109 MET CE :methyl 173:sc= -0.0467 (180deg=0) USER MOD Set 2.1: A 55 LYS NZ :NH3+ -175:sc= -2.57! (180deg=-2.82!) USER MOD Set 2.2: X 109 MET CE :methyl 170:sc= -0.133 (180deg=0) USER MOD Set 3.1: B 57 MET CE :methyl -135:sc= -1.89 (180deg=-5.14!) USER MOD Set 3.2: B 68 CYS SG : rot 130:sc= -0.694 USER MOD Set 4.1: B 41 SER OG : rot 87:sc= 1.09 USER MOD Set 4.2: B 42 HIS : no HD1:sc= 0.7 K(o=1.8,f=-4.6!) USER MOD Set 5.1: B 17 TYR OH : rot -15:sc= 0.233 USER MOD Set 5.2: B 38 ASN : amide:sc= 0.253 X(o=0.49,f=0.2) USER MOD Set 6.1: A 81 THR OG1 : rot 93:sc= 0.451 USER MOD Set 6.2: B 7 MET CE :methyl -103:sc= 0 (180deg=-0.748) USER MOD Set 7.1: A 57 MET CE :methyl -131:sc= -2.28 (180deg=-5.83!) USER MOD Set 7.2: A 68 CYS SG : rot 130:sc= -0.717 USER MOD Set 8.1: A 41 SER OG : rot 89:sc= 0.925 USER MOD Set 8.2: A 42 HIS : no HD1:sc= 0.54 K(o=1.5,f=-4.5!) USER MOD Set 9.1: A 17 TYR OH : rot -15:sc= 0.142 USER MOD Set 9.2: A 38 ASN : amide:sc= 0.29 X(o=0.43,f=0.16) USER MOD Set10.1: A 16 GLN : amide:sc= -8.76! C(o=-8.8!,f=-12!) USER MOD Set10.2: B 0 MET N :NH3+ -164:sc= -0.0358 (180deg=0) USER MOD Set11.1: A 7 MET CE :methyl -106:sc= 0 (180deg=-0.449) USER MOD Set11.2: B 81 THR OG1 : rot 91:sc= 0.483 USER MOD Set12.1: A 0 MET N :NH3+ -163:sc= -0.0212 (180deg=0) USER MOD Set12.2: B 16 GLN : amide:sc= -8.82! C(o=-8.8!,f=-12!) USER MOD Single : A 0 MET CE :methyl -156:sc= -0.115 (180deg=-0.877) USER MOD Single : A 1 SER OG : rot -43:sc= 1.13 USER MOD Single : A 5 LYS NZ :NH3+ -123:sc= 0.632 (180deg=-2.05!) USER MOD Single : A 15 HIS : no HD1:sc=-0.00855 X(o=-0.0085,f=-0.32) USER MOD Single : A 18 SER OG : rot -160:sc= -0.0425 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS :FLIP no HD1:sc= -1.57! C(o=-4.1!,f=-1.6!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 162:sc= -0.0332 (180deg=-0.336) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= -0.0631 (180deg=-0.521) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.0518 F(o=-1,f=-0.052) USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= -0.0561 (180deg=-0.541) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0151 X(o=-0.015,f=-0.49) USER MOD Single : A 74 MET CE :methyl -163:sc= -1.58 (180deg=-2.69!) USER MOD Single : A 78 SER OG : rot -100:sc= -0.314 USER MOD Single : A 79 MET CE :methyl -162:sc= -0.12 (180deg=-0.862) USER MOD Single : A 82 THR OG1 : rot 180:sc=0.000507 USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -0.243 K(o=-0.24,f=-0.95) USER MOD Single : B 0 MET CE :methyl -155:sc= -0.127 (180deg=-0.831) USER MOD Single : B 1 SER OG : rot -40:sc= 1.12 USER MOD Single : B 5 LYS NZ :NH3+ -134:sc= 0.784 (180deg=-1.79!) USER MOD Single : B 15 HIS : no HD1:sc= -0.0195 X(o=-0.02,f=-0.39) USER MOD Single : B 18 SER OG : rot -160:sc= -0.0587 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 HIS :FLIP no HD1:sc= -1.64! C(o=-4.2!,f=-1.6!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 161:sc= -0.0258 (180deg=-0.371) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ -161:sc= -0.0549 (180deg=-0.508) USER MOD Single : B 37 ASN :FLIP amide:sc= -0.0343 F(o=-0.98,f=-0.034) USER MOD Single : B 48 LYS NZ :NH3+ 160:sc= -0.0703 (180deg=-0.557) USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : B 74 MET CE :methyl -165:sc= -1.39 (180deg=-2.57!) USER MOD Single : B 78 SER OG : rot -100:sc= -0.375 USER MOD Single : B 79 MET CE :methyl -162:sc= -0.0777 (180deg=-0.721) USER MOD Single : B 82 THR OG1 : rot 180:sc= 0.0277 USER MOD Single : B 84 CYS SG : rot 180:sc= 0 USER MOD Single : B 85 HIS : no HD1:sc= -0.312 K(o=-0.31,f=-1.2) USER MOD Single : X 105 HIS :FLIP no HD1:sc= -1.65 F(o=-3.2!,f=-1.6) USER MOD Single : X 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 107 LYS NZ :NH3+ -131:sc= -1.89 (180deg=-3.61!) USER MOD Single : X 111 LYS NZ :NH3+ -170:sc= -0.864 (180deg=-1.1) USER MOD Single : X 112 THR OG1 : rot -25:sc= 0.877 USER MOD Single : Y 105 HIS :FLIP no HD1:sc= -1.66 F(o=-3.2!,f=-1.7) USER MOD Single : Y 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : Y 107 LYS NZ :NH3+ -143:sc= -1.61! (180deg=-3.35!) USER MOD Single : Y 111 LYS NZ :NH3+ -176:sc= -0.278 (180deg=-0.294) USER MOD Single : Y 112 THR OG1 : rot -22:sc= 0.759 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 3.020 -3.393 -13.439 1.00 0.00 N ATOM 2 CA MET A 0 2.345 -4.031 -14.606 1.00 0.00 C ATOM 3 C MET A 0 1.243 -3.110 -15.133 1.00 0.00 C ATOM 4 O MET A 0 0.072 -3.354 -14.926 1.00 0.00 O ATOM 5 CB MET A 0 1.721 -5.357 -14.171 1.00 0.00 C ATOM 6 CG MET A 0 1.211 -6.111 -15.400 1.00 0.00 C ATOM 7 SD MET A 0 0.448 -7.670 -14.880 1.00 0.00 S ATOM 8 CE MET A 0 1.956 -8.530 -14.363 1.00 0.00 C ATOM 0 H1 MET A 0 3.931 -3.864 -13.265 1.00 0.00 H new ATOM 0 H2 MET A 0 3.184 -2.386 -13.641 1.00 0.00 H new ATOM 0 H3 MET A 0 2.417 -3.483 -12.597 1.00 0.00 H new ATOM 0 HA MET A 0 3.080 -4.208 -15.391 1.00 0.00 H new ATOM 0 HB2 MET A 0 2.458 -5.961 -13.641 1.00 0.00 H new ATOM 0 HB3 MET A 0 0.900 -5.174 -13.477 1.00 0.00 H new ATOM 0 HG2 MET A 0 0.486 -5.501 -15.939 1.00 0.00 H new ATOM 0 HG3 MET A 0 2.034 -6.308 -16.086 1.00 0.00 H new ATOM 0 HE1 MET A 0 1.796 -9.607 -14.412 1.00 0.00 H new ATOM 0 HE2 MET A 0 2.777 -8.255 -15.025 1.00 0.00 H new ATOM 0 HE3 MET A 0 2.204 -8.246 -13.340 1.00 0.00 H new ATOM 20 N SER A 1 1.601 -2.054 -15.814 1.00 0.00 N ATOM 21 CA SER A 1 0.555 -1.130 -16.348 1.00 0.00 C ATOM 22 C SER A 1 -0.429 -0.783 -15.228 1.00 0.00 C ATOM 23 O SER A 1 -1.540 -0.351 -15.464 1.00 0.00 O ATOM 24 CB SER A 1 -0.192 -1.814 -17.493 1.00 0.00 C ATOM 25 OG SER A 1 -1.186 -0.932 -17.999 1.00 0.00 O ATOM 0 H SER A 1 2.564 -1.792 -16.023 1.00 0.00 H new ATOM 0 HA SER A 1 1.024 -0.218 -16.718 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.505 -2.088 -18.285 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.653 -2.737 -17.142 1.00 0.00 H new ATOM 0 HG SER A 1 -1.646 -0.495 -17.252 1.00 0.00 H new ATOM 31 N GLU A 2 -0.013 -0.968 -14.010 1.00 0.00 N ATOM 32 CA GLU A 2 -0.882 -0.656 -12.846 1.00 0.00 C ATOM 33 C GLU A 2 -0.917 0.857 -12.645 1.00 0.00 C ATOM 34 O GLU A 2 -1.115 1.345 -11.558 1.00 0.00 O ATOM 35 CB GLU A 2 -0.306 -1.340 -11.601 1.00 0.00 C ATOM 36 CG GLU A 2 1.102 -0.806 -11.321 1.00 0.00 C ATOM 37 CD GLU A 2 1.720 -1.585 -10.157 1.00 0.00 C ATOM 38 OE1 GLU A 2 0.993 -2.315 -9.505 1.00 0.00 O ATOM 39 OE2 GLU A 2 2.912 -1.440 -9.941 1.00 0.00 O ATOM 0 H GLU A 2 0.910 -1.329 -13.768 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.895 -1.018 -13.019 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.952 -1.157 -10.742 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.273 -2.419 -11.750 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.724 -0.906 -12.210 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.059 0.256 -11.080 1.00 0.00 H new ATOM 46 N LEU A 3 -0.707 1.608 -13.682 1.00 0.00 N ATOM 47 CA LEU A 3 -0.717 3.086 -13.525 1.00 0.00 C ATOM 48 C LEU A 3 -2.119 3.538 -13.091 1.00 0.00 C ATOM 49 O LEU A 3 -2.281 4.523 -12.405 1.00 0.00 O ATOM 50 CB LEU A 3 -0.324 3.743 -14.870 1.00 0.00 C ATOM 51 CG LEU A 3 0.532 4.996 -14.633 1.00 0.00 C ATOM 52 CD1 LEU A 3 0.879 5.638 -15.978 1.00 0.00 C ATOM 53 CD2 LEU A 3 -0.246 6.000 -13.787 1.00 0.00 C ATOM 0 H LEU A 3 -0.530 1.268 -14.627 1.00 0.00 H new ATOM 0 HA LEU A 3 0.001 3.389 -12.763 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.229 3.029 -15.481 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.223 4.010 -15.426 1.00 0.00 H new ATOM 0 HG LEU A 3 1.446 4.711 -14.112 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.487 6.527 -15.811 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.437 4.927 -16.587 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.039 5.918 -16.495 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.365 6.887 -13.621 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.161 6.282 -14.307 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.498 5.549 -12.827 1.00 0.00 H new ATOM 65 N GLU A 4 -3.127 2.826 -13.500 1.00 0.00 N ATOM 66 CA GLU A 4 -4.526 3.210 -13.129 1.00 0.00 C ATOM 67 C GLU A 4 -4.749 3.154 -11.616 1.00 0.00 C ATOM 68 O GLU A 4 -5.420 4.000 -11.058 1.00 0.00 O ATOM 69 CB GLU A 4 -5.505 2.257 -13.823 1.00 0.00 C ATOM 70 CG GLU A 4 -6.943 2.602 -13.424 1.00 0.00 C ATOM 71 CD GLU A 4 -7.920 1.801 -14.287 1.00 0.00 C ATOM 72 OE1 GLU A 4 -7.497 1.300 -15.317 1.00 0.00 O ATOM 73 OE2 GLU A 4 -9.071 1.692 -13.899 1.00 0.00 O ATOM 0 H GLU A 4 -3.048 1.989 -14.078 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.694 4.237 -13.452 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.391 2.330 -14.905 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.280 1.227 -13.548 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.103 2.376 -12.370 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.120 3.670 -13.551 1.00 0.00 H new ATOM 80 N LYS A 5 -4.220 2.177 -10.938 1.00 0.00 N ATOM 81 CA LYS A 5 -4.455 2.116 -9.466 1.00 0.00 C ATOM 82 C LYS A 5 -3.616 3.194 -8.790 1.00 0.00 C ATOM 83 O LYS A 5 -3.946 3.681 -7.731 1.00 0.00 O ATOM 84 CB LYS A 5 -4.108 0.716 -8.912 1.00 0.00 C ATOM 85 CG LYS A 5 -2.599 0.555 -8.696 1.00 0.00 C ATOM 86 CD LYS A 5 -2.299 -0.866 -8.230 1.00 0.00 C ATOM 87 CE LYS A 5 -0.836 -0.941 -7.797 1.00 0.00 C ATOM 88 NZ LYS A 5 -0.456 -2.363 -7.565 1.00 0.00 N ATOM 0 H LYS A 5 -3.645 1.430 -11.327 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.510 2.295 -9.257 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.631 0.557 -7.969 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.461 -0.048 -9.605 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.064 0.766 -9.622 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.249 1.273 -7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.953 -1.138 -7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.492 -1.576 -9.034 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.196 -0.503 -8.564 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.685 -0.361 -6.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.103 -2.474 -6.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.288 -2.972 -7.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.288 -2.638 -8.237 1.00 0.00 H new ATOM 102 N ALA A 6 -2.516 3.545 -9.390 1.00 0.00 N ATOM 103 CA ALA A 6 -1.628 4.572 -8.787 1.00 0.00 C ATOM 104 C ALA A 6 -2.287 5.947 -8.830 1.00 0.00 C ATOM 105 O ALA A 6 -2.175 6.717 -7.903 1.00 0.00 O ATOM 106 CB ALA A 6 -0.299 4.606 -9.547 1.00 0.00 C ATOM 0 H ALA A 6 -2.192 3.162 -10.278 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.447 4.312 -7.744 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.353 5.359 -9.105 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.181 3.629 -9.485 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.484 4.854 -10.592 1.00 0.00 H new ATOM 112 N MET A 7 -2.958 6.275 -9.894 1.00 0.00 N ATOM 113 CA MET A 7 -3.605 7.614 -9.962 1.00 0.00 C ATOM 114 C MET A 7 -4.754 7.665 -8.970 1.00 0.00 C ATOM 115 O MET A 7 -4.993 8.664 -8.323 1.00 0.00 O ATOM 116 CB MET A 7 -4.158 7.875 -11.366 1.00 0.00 C ATOM 117 CG MET A 7 -3.014 8.033 -12.370 1.00 0.00 C ATOM 118 SD MET A 7 -3.625 8.925 -13.823 1.00 0.00 S ATOM 119 CE MET A 7 -2.018 9.341 -14.546 1.00 0.00 C ATOM 0 H MET A 7 -3.087 5.682 -10.714 1.00 0.00 H new ATOM 0 HA MET A 7 -2.860 8.373 -9.724 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.804 7.051 -11.668 1.00 0.00 H new ATOM 0 HB3 MET A 7 -4.772 8.776 -11.360 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.186 8.577 -11.915 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.631 7.055 -12.662 1.00 0.00 H new ATOM 0 HE1 MET A 7 -1.813 10.400 -14.392 1.00 0.00 H new ATOM 0 HE2 MET A 7 -1.239 8.748 -14.067 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.033 9.126 -15.614 1.00 0.00 H new ATOM 129 N VAL A 8 -5.482 6.598 -8.866 1.00 0.00 N ATOM 130 CA VAL A 8 -6.641 6.583 -7.933 1.00 0.00 C ATOM 131 C VAL A 8 -6.165 6.689 -6.483 1.00 0.00 C ATOM 132 O VAL A 8 -6.817 7.287 -5.655 1.00 0.00 O ATOM 133 CB VAL A 8 -7.440 5.293 -8.112 1.00 0.00 C ATOM 134 CG1 VAL A 8 -8.597 5.275 -7.106 1.00 0.00 C ATOM 135 CG2 VAL A 8 -7.995 5.232 -9.538 1.00 0.00 C ATOM 0 H VAL A 8 -5.328 5.733 -9.385 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.276 7.439 -8.161 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.794 4.432 -7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.171 4.357 -7.228 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.199 5.321 -6.092 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.245 6.134 -7.281 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.565 4.312 -9.667 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.645 6.090 -9.712 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.170 5.251 -10.251 1.00 0.00 H new ATOM 145 N ALA A 9 -5.049 6.095 -6.165 1.00 0.00 N ATOM 146 CA ALA A 9 -4.543 6.145 -4.759 1.00 0.00 C ATOM 147 C ALA A 9 -4.015 7.537 -4.439 1.00 0.00 C ATOM 148 O ALA A 9 -4.182 8.048 -3.348 1.00 0.00 O ATOM 149 CB ALA A 9 -3.412 5.138 -4.592 1.00 0.00 C ATOM 0 H ALA A 9 -4.462 5.575 -6.817 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.362 5.905 -4.081 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.042 5.173 -3.567 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.782 4.136 -4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.602 5.383 -5.279 1.00 0.00 H new ATOM 155 N LEU A 10 -3.363 8.143 -5.380 1.00 0.00 N ATOM 156 CA LEU A 10 -2.792 9.492 -5.152 1.00 0.00 C ATOM 157 C LEU A 10 -3.939 10.440 -4.786 1.00 0.00 C ATOM 158 O LEU A 10 -3.850 11.233 -3.865 1.00 0.00 O ATOM 159 CB LEU A 10 -2.109 9.927 -6.466 1.00 0.00 C ATOM 160 CG LEU A 10 -0.903 10.838 -6.196 1.00 0.00 C ATOM 161 CD1 LEU A 10 -1.335 12.028 -5.330 1.00 0.00 C ATOM 162 CD2 LEU A 10 0.232 10.048 -5.500 1.00 0.00 C ATOM 0 H LEU A 10 -3.198 7.758 -6.310 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.062 9.502 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.784 9.045 -7.018 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.828 10.450 -7.096 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.524 11.210 -7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.476 12.671 -5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.106 12.596 -5.851 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.731 11.663 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.078 10.711 -5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.130 9.651 -4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.548 9.225 -6.141 1.00 0.00 H new ATOM 174 N ILE A 11 -5.023 10.333 -5.492 1.00 0.00 N ATOM 175 CA ILE A 11 -6.206 11.184 -5.207 1.00 0.00 C ATOM 176 C ILE A 11 -6.855 10.772 -3.874 1.00 0.00 C ATOM 177 O ILE A 11 -7.399 11.595 -3.163 1.00 0.00 O ATOM 178 CB ILE A 11 -7.213 11.042 -6.360 1.00 0.00 C ATOM 179 CG1 ILE A 11 -6.649 11.731 -7.612 1.00 0.00 C ATOM 180 CG2 ILE A 11 -8.545 11.679 -5.972 1.00 0.00 C ATOM 181 CD1 ILE A 11 -7.512 11.396 -8.838 1.00 0.00 C ATOM 0 H ILE A 11 -5.142 9.681 -6.268 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.894 12.225 -5.123 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.378 9.985 -6.569 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.623 12.810 -7.461 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.622 11.408 -7.782 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.252 11.574 -6.795 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.942 11.182 -5.087 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.394 12.737 -5.757 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.101 11.891 -9.718 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.516 10.318 -8.996 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.532 11.742 -8.670 1.00 0.00 H new ATOM 193 N ASP A 12 -6.841 9.506 -3.545 1.00 0.00 N ATOM 194 CA ASP A 12 -7.498 9.055 -2.278 1.00 0.00 C ATOM 195 C ASP A 12 -6.876 9.727 -1.047 1.00 0.00 C ATOM 196 O ASP A 12 -7.578 10.199 -0.176 1.00 0.00 O ATOM 197 CB ASP A 12 -7.360 7.536 -2.149 1.00 0.00 C ATOM 198 CG ASP A 12 -8.270 6.849 -3.171 1.00 0.00 C ATOM 199 OD1 ASP A 12 -9.134 7.519 -3.712 1.00 0.00 O ATOM 200 OD2 ASP A 12 -8.086 5.664 -3.397 1.00 0.00 O ATOM 0 H ASP A 12 -6.405 8.766 -4.096 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.549 9.340 -2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.324 7.240 -2.312 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.626 7.221 -1.140 1.00 0.00 H new ATOM 205 N VAL A 13 -5.577 9.774 -0.954 1.00 0.00 N ATOM 206 CA VAL A 13 -4.946 10.418 0.243 1.00 0.00 C ATOM 207 C VAL A 13 -5.330 11.906 0.269 1.00 0.00 C ATOM 208 O VAL A 13 -5.601 12.481 1.314 1.00 0.00 O ATOM 209 CB VAL A 13 -3.397 10.211 0.189 1.00 0.00 C ATOM 210 CG1 VAL A 13 -2.636 11.545 0.202 1.00 0.00 C ATOM 211 CG2 VAL A 13 -2.929 9.389 1.399 1.00 0.00 C ATOM 0 H VAL A 13 -4.926 9.400 -1.645 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.307 9.960 1.164 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.183 9.688 -0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.564 11.353 0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.929 12.140 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.874 12.091 1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.849 9.252 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.186 9.915 2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.419 8.416 1.389 1.00 0.00 H new ATOM 221 N PHE A 14 -5.347 12.533 -0.871 1.00 0.00 N ATOM 222 CA PHE A 14 -5.695 13.976 -0.913 1.00 0.00 C ATOM 223 C PHE A 14 -7.080 14.198 -0.299 1.00 0.00 C ATOM 224 O PHE A 14 -7.309 15.183 0.357 1.00 0.00 O ATOM 225 CB PHE A 14 -5.697 14.472 -2.368 1.00 0.00 C ATOM 226 CG PHE A 14 -6.253 15.878 -2.417 1.00 0.00 C ATOM 227 CD1 PHE A 14 -7.638 16.072 -2.483 1.00 0.00 C ATOM 228 CD2 PHE A 14 -5.394 16.981 -2.372 1.00 0.00 C ATOM 229 CE1 PHE A 14 -8.165 17.367 -2.508 1.00 0.00 C ATOM 230 CE2 PHE A 14 -5.921 18.276 -2.393 1.00 0.00 C ATOM 231 CZ PHE A 14 -7.307 18.470 -2.459 1.00 0.00 C ATOM 0 H PHE A 14 -5.135 12.109 -1.774 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.953 14.533 -0.341 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.685 14.455 -2.771 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.299 13.809 -2.989 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.301 15.220 -2.515 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.325 16.833 -2.321 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.233 17.515 -2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.258 19.128 -2.358 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.712 19.471 -2.472 1.00 0.00 H new ATOM 241 N HIS A 15 -8.012 13.321 -0.528 1.00 0.00 N ATOM 242 CA HIS A 15 -9.377 13.531 0.037 1.00 0.00 C ATOM 243 C HIS A 15 -9.355 13.440 1.567 1.00 0.00 C ATOM 244 O HIS A 15 -10.159 14.053 2.239 1.00 0.00 O ATOM 245 CB HIS A 15 -10.334 12.478 -0.528 1.00 0.00 C ATOM 246 CG HIS A 15 -11.743 12.787 -0.097 1.00 0.00 C ATOM 247 ND1 HIS A 15 -12.293 12.264 1.065 1.00 0.00 N ATOM 248 CD2 HIS A 15 -12.730 13.556 -0.666 1.00 0.00 C ATOM 249 CE1 HIS A 15 -13.557 12.718 1.156 1.00 0.00 C ATOM 250 NE2 HIS A 15 -13.870 13.507 0.127 1.00 0.00 N ATOM 0 H HIS A 15 -7.893 12.471 -1.079 1.00 0.00 H new ATOM 0 HA HIS A 15 -9.718 14.527 -0.244 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.272 12.463 -1.616 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -10.046 11.487 -0.179 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.634 14.112 -1.587 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -14.233 12.474 1.962 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -14.760 13.976 -0.042 1.00 0.00 H new ATOM 259 N GLN A 16 -8.464 12.673 2.126 1.00 0.00 N ATOM 260 CA GLN A 16 -8.430 12.547 3.608 1.00 0.00 C ATOM 261 C GLN A 16 -8.185 13.916 4.256 1.00 0.00 C ATOM 262 O GLN A 16 -8.785 14.245 5.261 1.00 0.00 O ATOM 263 CB GLN A 16 -7.308 11.573 4.008 1.00 0.00 C ATOM 264 CG GLN A 16 -7.781 10.118 3.858 1.00 0.00 C ATOM 265 CD GLN A 16 -8.058 9.782 2.390 1.00 0.00 C ATOM 266 OE1 GLN A 16 -8.908 10.379 1.764 1.00 0.00 O ATOM 267 NE2 GLN A 16 -7.381 8.825 1.816 1.00 0.00 N ATOM 0 H GLN A 16 -7.761 12.130 1.624 1.00 0.00 H new ATOM 0 HA GLN A 16 -9.390 12.166 3.956 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.431 11.743 3.384 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.007 11.759 5.039 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.022 9.442 4.253 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.685 9.962 4.448 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.666 8.321 2.340 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.567 8.581 0.843 1.00 0.00 H new ATOM 276 N TYR A 17 -7.298 14.710 3.715 1.00 0.00 N ATOM 277 CA TYR A 17 -7.016 16.047 4.345 1.00 0.00 C ATOM 278 C TYR A 17 -7.910 17.158 3.785 1.00 0.00 C ATOM 279 O TYR A 17 -8.344 18.031 4.505 1.00 0.00 O ATOM 280 CB TYR A 17 -5.549 16.407 4.100 1.00 0.00 C ATOM 281 CG TYR A 17 -4.701 15.596 5.037 1.00 0.00 C ATOM 282 CD1 TYR A 17 -4.476 14.246 4.771 1.00 0.00 C ATOM 283 CD2 TYR A 17 -4.164 16.189 6.183 1.00 0.00 C ATOM 284 CE1 TYR A 17 -3.715 13.481 5.652 1.00 0.00 C ATOM 285 CE2 TYR A 17 -3.396 15.429 7.066 1.00 0.00 C ATOM 286 CZ TYR A 17 -3.172 14.072 6.803 1.00 0.00 C ATOM 287 OH TYR A 17 -2.417 13.316 7.677 1.00 0.00 O ATOM 0 H TYR A 17 -6.759 14.500 2.875 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.228 15.966 5.411 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.275 16.201 3.065 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.387 17.472 4.266 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -4.891 13.794 3.883 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -4.343 17.235 6.385 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.543 12.434 5.449 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.976 15.886 7.950 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.553 12.364 7.488 1.00 0.00 H new ATOM 297 N SER A 18 -8.154 17.164 2.515 1.00 0.00 N ATOM 298 CA SER A 18 -8.983 18.257 1.933 1.00 0.00 C ATOM 299 C SER A 18 -10.374 18.265 2.566 1.00 0.00 C ATOM 300 O SER A 18 -10.917 19.307 2.873 1.00 0.00 O ATOM 301 CB SER A 18 -9.098 18.051 0.426 1.00 0.00 C ATOM 302 OG SER A 18 -10.108 17.089 0.156 1.00 0.00 O ATOM 0 H SER A 18 -7.820 16.466 1.851 1.00 0.00 H new ATOM 0 HA SER A 18 -8.506 19.216 2.136 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.339 18.995 -0.064 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.144 17.716 0.020 1.00 0.00 H new ATOM 0 HG SER A 18 -9.982 16.726 -0.746 1.00 0.00 H new ATOM 308 N GLY A 19 -10.955 17.118 2.772 1.00 0.00 N ATOM 309 CA GLY A 19 -12.311 17.076 3.386 1.00 0.00 C ATOM 310 C GLY A 19 -12.205 17.365 4.883 1.00 0.00 C ATOM 311 O GLY A 19 -13.196 17.567 5.557 1.00 0.00 O ATOM 0 H GLY A 19 -10.552 16.210 2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.960 17.810 2.909 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.764 16.098 3.225 1.00 0.00 H new ATOM 315 N ARG A 20 -11.011 17.390 5.412 1.00 0.00 N ATOM 316 CA ARG A 20 -10.849 17.671 6.866 1.00 0.00 C ATOM 317 C ARG A 20 -11.416 19.057 7.183 1.00 0.00 C ATOM 318 O ARG A 20 -12.149 19.238 8.134 1.00 0.00 O ATOM 319 CB ARG A 20 -9.367 17.650 7.220 1.00 0.00 C ATOM 320 CG ARG A 20 -9.202 17.780 8.731 1.00 0.00 C ATOM 321 CD ARG A 20 -7.716 17.763 9.066 1.00 0.00 C ATOM 322 NE ARG A 20 -7.538 17.889 10.538 1.00 0.00 N ATOM 323 CZ ARG A 20 -6.379 17.633 11.078 1.00 0.00 C ATOM 324 NH1 ARG A 20 -5.381 17.253 10.328 1.00 0.00 N ATOM 325 NH2 ARG A 20 -6.220 17.755 12.367 1.00 0.00 N ATOM 0 H ARG A 20 -10.143 17.228 4.901 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.380 16.914 7.444 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.913 16.722 6.873 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.850 18.467 6.716 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.657 18.706 9.082 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.713 16.961 9.238 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.263 16.837 8.712 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.208 18.581 8.556 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.322 18.175 11.124 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.508 17.157 9.321 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.474 17.052 10.749 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.002 18.050 12.952 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.314 17.555 12.790 1.00 0.00 H new ATOM 339 N GLU A 21 -11.063 20.039 6.387 1.00 0.00 N ATOM 340 CA GLU A 21 -11.551 21.441 6.614 1.00 0.00 C ATOM 341 C GLU A 21 -12.455 21.879 5.458 1.00 0.00 C ATOM 342 O GLU A 21 -12.615 21.185 4.474 1.00 0.00 O ATOM 343 CB GLU A 21 -10.356 22.392 6.717 1.00 0.00 C ATOM 344 CG GLU A 21 -9.630 22.155 8.043 1.00 0.00 C ATOM 345 CD GLU A 21 -8.419 23.085 8.143 1.00 0.00 C ATOM 346 OE1 GLU A 21 -8.290 23.950 7.293 1.00 0.00 O ATOM 347 OE2 GLU A 21 -7.643 22.917 9.069 1.00 0.00 O ATOM 0 H GLU A 21 -10.450 19.929 5.579 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.121 21.470 7.542 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.674 22.229 5.882 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.694 23.426 6.655 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.308 22.335 8.877 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.309 21.116 8.112 1.00 0.00 H new ATOM 354 N GLY A 22 -13.070 23.021 5.599 1.00 0.00 N ATOM 355 CA GLY A 22 -14.004 23.528 4.551 1.00 0.00 C ATOM 356 C GLY A 22 -13.336 23.600 3.170 1.00 0.00 C ATOM 357 O GLY A 22 -13.992 23.420 2.163 1.00 0.00 O ATOM 0 H GLY A 22 -12.964 23.634 6.407 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.877 22.877 4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.362 24.518 4.833 1.00 0.00 H new ATOM 361 N ASP A 23 -12.060 23.879 3.086 1.00 0.00 N ATOM 362 CA ASP A 23 -11.427 23.972 1.741 1.00 0.00 C ATOM 363 C ASP A 23 -11.347 22.578 1.107 1.00 0.00 C ATOM 364 O ASP A 23 -10.281 22.062 0.843 1.00 0.00 O ATOM 365 CB ASP A 23 -10.025 24.564 1.882 1.00 0.00 C ATOM 366 CG ASP A 23 -10.077 25.790 2.794 1.00 0.00 C ATOM 367 OD1 ASP A 23 -11.146 26.364 2.924 1.00 0.00 O ATOM 368 OD2 ASP A 23 -9.046 26.136 3.347 1.00 0.00 O ATOM 0 H ASP A 23 -11.439 24.044 3.878 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.028 24.616 1.099 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.344 23.819 2.295 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.636 24.843 0.902 1.00 0.00 H new ATOM 373 N LYS A 24 -12.473 21.965 0.861 1.00 0.00 N ATOM 374 CA LYS A 24 -12.470 20.605 0.245 1.00 0.00 C ATOM 375 C LYS A 24 -11.822 20.652 -1.142 1.00 0.00 C ATOM 376 O LYS A 24 -11.100 19.756 -1.528 1.00 0.00 O ATOM 377 CB LYS A 24 -13.913 20.116 0.098 1.00 0.00 C ATOM 378 CG LYS A 24 -13.919 18.721 -0.535 1.00 0.00 C ATOM 379 CD LYS A 24 -15.334 18.132 -0.487 1.00 0.00 C ATOM 380 CE LYS A 24 -16.276 18.967 -1.361 1.00 0.00 C ATOM 381 NZ LYS A 24 -17.501 18.177 -1.668 1.00 0.00 N ATOM 0 H LYS A 24 -13.397 22.347 1.060 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.903 19.929 0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.399 20.086 1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.482 20.810 -0.521 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.575 18.779 -1.568 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.226 18.068 -0.004 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.320 17.099 -0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.696 18.116 0.541 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.545 19.889 -0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.774 19.253 -2.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.140 18.744 -2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.236 17.309 -2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.983 17.926 -0.782 1.00 0.00 H new ATOM 395 N HIS A 25 -12.093 21.680 -1.905 1.00 0.00 N ATOM 396 CA HIS A 25 -11.516 21.771 -3.282 1.00 0.00 C ATOM 397 C HIS A 25 -10.221 22.594 -3.280 1.00 0.00 C ATOM 398 O HIS A 25 -9.605 22.783 -4.310 1.00 0.00 O ATOM 399 CB HIS A 25 -12.543 22.416 -4.220 1.00 0.00 C ATOM 400 CG HIS A 25 -13.064 23.695 -3.622 1.00 0.00 C ATOM 401 ND1 HIS A 25 -13.855 23.945 -2.525 1.00 0.00 N flip ATOM 402 CD2 HIS A 25 -12.786 24.935 -4.178 1.00 0.00 C flip ATOM 403 CE1 HIS A 25 -14.059 25.315 -2.405 1.00 0.00 C flip ATOM 404 NE2 HIS A 25 -13.397 25.866 -3.423 1.00 0.00 N flip ATOM 0 H HIS A 25 -12.690 22.462 -1.634 1.00 0.00 H new ATOM 0 HA HIS A 25 -11.279 20.766 -3.630 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -12.085 22.619 -5.188 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -13.368 21.726 -4.397 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -12.187 25.120 -5.058 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -14.633 25.826 -1.646 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -13.359 26.869 -3.606 1.00 0.00 H new ATOM 413 N LYS A 26 -9.796 23.084 -2.140 1.00 0.00 N ATOM 414 CA LYS A 26 -8.532 23.891 -2.091 1.00 0.00 C ATOM 415 C LYS A 26 -7.753 23.557 -0.816 1.00 0.00 C ATOM 416 O LYS A 26 -8.315 23.138 0.174 1.00 0.00 O ATOM 417 CB LYS A 26 -8.872 25.383 -2.096 1.00 0.00 C ATOM 418 CG LYS A 26 -9.541 25.755 -3.419 1.00 0.00 C ATOM 419 CD LYS A 26 -9.641 27.280 -3.532 1.00 0.00 C ATOM 420 CE LYS A 26 -10.537 27.832 -2.418 1.00 0.00 C ATOM 421 NZ LYS A 26 -10.993 29.203 -2.785 1.00 0.00 N ATOM 0 H LYS A 26 -10.267 22.962 -1.243 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.924 23.651 -2.963 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.535 25.617 -1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.966 25.973 -1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.966 25.355 -4.254 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.535 25.310 -3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.648 27.724 -3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.047 27.555 -4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.396 27.178 -2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.990 27.859 -1.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.601 29.580 -2.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.167 29.823 -2.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.529 29.164 -3.675 1.00 0.00 H new ATOM 435 N LEU A 27 -6.457 23.751 -0.837 1.00 0.00 N ATOM 436 CA LEU A 27 -5.606 23.460 0.365 1.00 0.00 C ATOM 437 C LEU A 27 -4.932 24.756 0.826 1.00 0.00 C ATOM 438 O LEU A 27 -4.355 25.475 0.039 1.00 0.00 O ATOM 439 CB LEU A 27 -4.516 22.429 -0.019 1.00 0.00 C ATOM 440 CG LEU A 27 -4.947 20.991 0.326 1.00 0.00 C ATOM 441 CD1 LEU A 27 -5.043 20.796 1.850 1.00 0.00 C ATOM 442 CD2 LEU A 27 -6.295 20.681 -0.328 1.00 0.00 C ATOM 0 H LEU A 27 -5.944 24.103 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.225 23.058 1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.307 22.500 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.590 22.667 0.504 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.193 20.304 -0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.349 19.773 2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.071 20.988 2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.778 21.489 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.594 19.663 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.047 21.380 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.206 20.780 -1.410 1.00 0.00 H new ATOM 454 N LYS A 28 -4.984 25.048 2.099 1.00 0.00 N ATOM 455 CA LYS A 28 -4.327 26.279 2.615 1.00 0.00 C ATOM 456 C LYS A 28 -2.967 25.884 3.193 1.00 0.00 C ATOM 457 O LYS A 28 -2.808 24.795 3.709 1.00 0.00 O ATOM 458 CB LYS A 28 -5.209 26.887 3.710 1.00 0.00 C ATOM 459 CG LYS A 28 -4.573 28.169 4.244 1.00 0.00 C ATOM 460 CD LYS A 28 -5.484 28.777 5.310 1.00 0.00 C ATOM 461 CE LYS A 28 -4.859 30.067 5.841 1.00 0.00 C ATOM 462 NZ LYS A 28 -4.871 31.103 4.768 1.00 0.00 N ATOM 0 H LYS A 28 -5.456 24.483 2.805 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.190 27.013 1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.200 27.102 3.312 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.340 26.171 4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.592 27.953 4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.420 28.879 3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.467 28.984 4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.630 28.069 6.126 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.413 30.422 6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.837 29.880 6.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.739 32.043 5.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.100 30.915 4.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.782 31.073 4.267 1.00 0.00 H new ATOM 476 N LYS A 29 -1.980 26.743 3.105 1.00 0.00 N ATOM 477 CA LYS A 29 -0.631 26.393 3.653 1.00 0.00 C ATOM 478 C LYS A 29 -0.800 25.740 5.021 1.00 0.00 C ATOM 479 O LYS A 29 0.036 24.990 5.482 1.00 0.00 O ATOM 480 CB LYS A 29 0.216 27.669 3.801 1.00 0.00 C ATOM 481 CG LYS A 29 -0.323 28.556 4.934 1.00 0.00 C ATOM 482 CD LYS A 29 0.452 29.877 4.962 1.00 0.00 C ATOM 483 CE LYS A 29 0.015 30.695 6.179 1.00 0.00 C ATOM 484 NZ LYS A 29 0.901 31.882 6.322 1.00 0.00 N ATOM 0 H LYS A 29 -2.049 27.667 2.679 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.131 25.704 2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.252 27.401 4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.210 28.225 2.864 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.385 28.749 4.785 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.223 28.043 5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.524 29.682 5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.268 30.439 4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.021 31.013 6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.062 30.082 7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.605 32.439 7.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.884 31.568 6.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.834 32.470 5.467 1.00 0.00 H new ATOM 498 N SER A 30 -1.892 26.030 5.663 1.00 0.00 N ATOM 499 CA SER A 30 -2.151 25.437 7.006 1.00 0.00 C ATOM 500 C SER A 30 -2.604 23.990 6.826 1.00 0.00 C ATOM 501 O SER A 30 -2.072 23.078 7.429 1.00 0.00 O ATOM 502 CB SER A 30 -3.241 26.241 7.713 1.00 0.00 C ATOM 503 OG SER A 30 -3.389 25.765 9.044 1.00 0.00 O ATOM 0 H SER A 30 -2.621 26.654 5.317 1.00 0.00 H new ATOM 0 HA SER A 30 -1.244 25.463 7.609 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.981 27.300 7.720 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.184 26.148 7.175 1.00 0.00 H new ATOM 0 HG SER A 30 -4.087 26.280 9.500 1.00 0.00 H new ATOM 509 N GLU A 31 -3.570 23.774 5.978 1.00 0.00 N ATOM 510 CA GLU A 31 -4.051 22.390 5.724 1.00 0.00 C ATOM 511 C GLU A 31 -2.908 21.601 5.095 1.00 0.00 C ATOM 512 O GLU A 31 -2.723 20.429 5.355 1.00 0.00 O ATOM 513 CB GLU A 31 -5.233 22.427 4.755 1.00 0.00 C ATOM 514 CG GLU A 31 -6.449 23.035 5.450 1.00 0.00 C ATOM 515 CD GLU A 31 -7.543 23.290 4.413 1.00 0.00 C ATOM 516 OE1 GLU A 31 -7.377 22.849 3.287 1.00 0.00 O ATOM 517 OE2 GLU A 31 -8.524 23.928 4.758 1.00 0.00 O ATOM 0 H GLU A 31 -4.049 24.502 5.447 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.370 21.924 6.656 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.975 23.014 3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.465 21.419 4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.815 22.361 6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.173 23.967 5.943 1.00 0.00 H new ATOM 524 N LEU A 32 -2.141 22.245 4.259 1.00 0.00 N ATOM 525 CA LEU A 32 -1.005 21.554 3.593 1.00 0.00 C ATOM 526 C LEU A 32 -0.038 21.038 4.649 1.00 0.00 C ATOM 527 O LEU A 32 0.482 19.957 4.538 1.00 0.00 O ATOM 528 CB LEU A 32 -0.280 22.543 2.669 1.00 0.00 C ATOM 529 CG LEU A 32 0.914 21.860 1.980 1.00 0.00 C ATOM 530 CD1 LEU A 32 0.433 20.657 1.152 1.00 0.00 C ATOM 531 CD2 LEU A 32 1.614 22.874 1.063 1.00 0.00 C ATOM 0 H LEU A 32 -2.255 23.227 4.008 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.379 20.716 3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.973 22.923 1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.067 23.401 3.245 1.00 0.00 H new ATOM 0 HG LEU A 32 1.612 21.505 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.287 20.182 0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.059 19.938 1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.271 20.996 0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.461 22.396 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.911 23.229 0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.967 23.718 1.656 1.00 0.00 H new ATOM 543 N LYS A 33 0.209 21.801 5.671 1.00 0.00 N ATOM 544 CA LYS A 33 1.149 21.336 6.732 1.00 0.00 C ATOM 545 C LYS A 33 0.623 20.043 7.360 1.00 0.00 C ATOM 546 O LYS A 33 1.377 19.143 7.670 1.00 0.00 O ATOM 547 CB LYS A 33 1.266 22.406 7.820 1.00 0.00 C ATOM 548 CG LYS A 33 2.286 21.960 8.873 1.00 0.00 C ATOM 549 CD LYS A 33 2.404 23.027 9.958 1.00 0.00 C ATOM 550 CE LYS A 33 3.464 22.600 10.974 1.00 0.00 C ATOM 551 NZ LYS A 33 3.036 21.334 11.635 1.00 0.00 N ATOM 0 H LYS A 33 -0.196 22.725 5.821 1.00 0.00 H new ATOM 0 HA LYS A 33 2.127 21.155 6.285 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.574 23.354 7.380 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.295 22.572 8.287 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.978 21.012 9.314 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.257 21.794 8.406 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.674 23.985 9.514 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.443 23.165 10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.423 22.457 10.477 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.605 23.383 11.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.562 21.211 12.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.017 21.376 11.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.229 20.530 11.004 1.00 0.00 H new ATOM 565 N GLU A 34 -0.657 19.954 7.573 1.00 0.00 N ATOM 566 CA GLU A 34 -1.223 18.733 8.205 1.00 0.00 C ATOM 567 C GLU A 34 -0.987 17.538 7.285 1.00 0.00 C ATOM 568 O GLU A 34 -0.652 16.460 7.717 1.00 0.00 O ATOM 569 CB GLU A 34 -2.722 18.938 8.440 1.00 0.00 C ATOM 570 CG GLU A 34 -2.931 20.061 9.462 1.00 0.00 C ATOM 571 CD GLU A 34 -4.428 20.267 9.697 1.00 0.00 C ATOM 572 OE1 GLU A 34 -5.207 19.696 8.955 1.00 0.00 O ATOM 573 OE2 GLU A 34 -4.770 20.995 10.615 1.00 0.00 O ATOM 0 H GLU A 34 -1.338 20.676 7.336 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.737 18.544 9.162 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.217 19.189 7.502 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.174 18.014 8.801 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.436 19.810 10.400 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.479 20.984 9.101 1.00 0.00 H new ATOM 580 N LEU A 35 -1.142 17.724 6.014 1.00 0.00 N ATOM 581 CA LEU A 35 -0.896 16.604 5.067 1.00 0.00 C ATOM 582 C LEU A 35 0.554 16.158 5.217 1.00 0.00 C ATOM 583 O LEU A 35 0.857 14.994 5.326 1.00 0.00 O ATOM 584 CB LEU A 35 -1.156 17.101 3.632 1.00 0.00 C ATOM 585 CG LEU A 35 -0.766 16.039 2.575 1.00 0.00 C ATOM 586 CD1 LEU A 35 0.775 15.931 2.415 1.00 0.00 C ATOM 587 CD2 LEU A 35 -1.344 14.676 2.970 1.00 0.00 C ATOM 0 H LEU A 35 -1.429 18.603 5.584 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.558 15.764 5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.210 17.354 3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.588 18.015 3.456 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.181 16.351 1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.011 15.176 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.176 16.894 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.221 15.647 3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.066 13.933 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.947 14.380 3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.430 14.744 3.028 1.00 0.00 H new ATOM 599 N ILE A 36 1.453 17.090 5.176 1.00 0.00 N ATOM 600 CA ILE A 36 2.898 16.756 5.260 1.00 0.00 C ATOM 601 C ILE A 36 3.308 16.278 6.654 1.00 0.00 C ATOM 602 O ILE A 36 4.015 15.303 6.793 1.00 0.00 O ATOM 603 CB ILE A 36 3.705 18.014 4.921 1.00 0.00 C ATOM 604 CG1 ILE A 36 3.292 18.526 3.536 1.00 0.00 C ATOM 605 CG2 ILE A 36 5.201 17.684 4.920 1.00 0.00 C ATOM 606 CD1 ILE A 36 4.076 19.795 3.194 1.00 0.00 C ATOM 0 H ILE A 36 1.248 18.085 5.087 1.00 0.00 H new ATOM 0 HA ILE A 36 3.095 15.945 4.559 1.00 0.00 H new ATOM 0 HB ILE A 36 3.507 18.783 5.668 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.479 17.759 2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.222 18.734 3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.771 18.581 4.679 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.494 17.322 5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.403 16.914 4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.777 20.153 2.209 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.867 20.564 3.938 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.143 19.574 3.191 1.00 0.00 H new ATOM 618 N ASN A 37 2.943 16.983 7.683 1.00 0.00 N ATOM 619 CA ASN A 37 3.410 16.572 9.043 1.00 0.00 C ATOM 620 C ASN A 37 2.659 15.356 9.579 1.00 0.00 C ATOM 621 O ASN A 37 3.244 14.432 10.109 1.00 0.00 O ATOM 622 CB ASN A 37 3.213 17.737 10.011 1.00 0.00 C ATOM 623 CG ASN A 37 3.828 17.381 11.365 1.00 0.00 C ATOM 624 OD1 ASN A 37 5.114 17.518 11.539 1.00 0.00 O flip ATOM 625 ND2 ASN A 37 3.131 16.975 12.273 1.00 0.00 N flip ATOM 0 H ASN A 37 2.352 17.813 7.650 1.00 0.00 H new ATOM 0 HA ASN A 37 4.462 16.300 8.958 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.679 18.638 9.613 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.151 17.952 10.127 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.126 16.868 12.136 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.551 16.741 13.173 1.00 0.00 H new ATOM 632 N ASN A 38 1.374 15.380 9.497 1.00 0.00 N ATOM 633 CA ASN A 38 0.564 14.257 10.063 1.00 0.00 C ATOM 634 C ASN A 38 0.541 13.022 9.154 1.00 0.00 C ATOM 635 O ASN A 38 0.704 11.911 9.616 1.00 0.00 O ATOM 636 CB ASN A 38 -0.870 14.734 10.291 1.00 0.00 C ATOM 637 CG ASN A 38 -1.656 13.641 11.013 1.00 0.00 C ATOM 638 OD1 ASN A 38 -1.827 13.690 12.215 1.00 0.00 O ATOM 639 ND2 ASN A 38 -2.140 12.644 10.324 1.00 0.00 N ATOM 0 H ASN A 38 0.833 16.128 9.062 1.00 0.00 H new ATOM 0 HA ASN A 38 1.034 13.963 11.001 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.871 15.650 10.882 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.343 14.969 9.338 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -2.662 11.905 10.794 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.996 12.604 9.315 1.00 0.00 H new ATOM 646 N GLU A 39 0.304 13.184 7.884 1.00 0.00 N ATOM 647 CA GLU A 39 0.235 11.980 7.002 1.00 0.00 C ATOM 648 C GLU A 39 1.623 11.359 6.858 1.00 0.00 C ATOM 649 O GLU A 39 1.778 10.154 6.852 1.00 0.00 O ATOM 650 CB GLU A 39 -0.292 12.368 5.615 1.00 0.00 C ATOM 651 CG GLU A 39 -0.830 11.131 4.906 1.00 0.00 C ATOM 652 CD GLU A 39 -1.323 11.522 3.513 1.00 0.00 C ATOM 653 OE1 GLU A 39 -2.387 12.112 3.425 1.00 0.00 O ATOM 654 OE2 GLU A 39 -0.631 11.220 2.555 1.00 0.00 O ATOM 0 H GLU A 39 0.157 14.081 7.421 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.443 11.257 7.455 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.079 13.116 5.711 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.506 12.819 5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.050 10.374 4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.644 10.692 5.483 1.00 0.00 H new ATOM 661 N LEU A 40 2.634 12.173 6.733 1.00 0.00 N ATOM 662 CA LEU A 40 4.017 11.634 6.577 1.00 0.00 C ATOM 663 C LEU A 40 4.680 11.586 7.952 1.00 0.00 C ATOM 664 O LEU A 40 5.664 12.251 8.207 1.00 0.00 O ATOM 665 CB LEU A 40 4.814 12.548 5.637 1.00 0.00 C ATOM 666 CG LEU A 40 3.900 13.041 4.509 1.00 0.00 C ATOM 667 CD1 LEU A 40 4.717 13.859 3.504 1.00 0.00 C ATOM 668 CD2 LEU A 40 3.261 11.839 3.800 1.00 0.00 C ATOM 0 H LEU A 40 2.563 13.191 6.732 1.00 0.00 H new ATOM 0 HA LEU A 40 3.988 10.631 6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.216 13.396 6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.664 12.007 5.221 1.00 0.00 H new ATOM 0 HG LEU A 40 3.115 13.669 4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.065 14.208 2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.162 14.716 4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.506 13.236 3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.612 12.192 2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.043 11.206 3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.674 11.264 4.516 1.00 0.00 H new ATOM 680 N SER A 41 4.133 10.809 8.841 1.00 0.00 N ATOM 681 CA SER A 41 4.707 10.714 10.209 1.00 0.00 C ATOM 682 C SER A 41 6.152 10.212 10.142 1.00 0.00 C ATOM 683 O SER A 41 7.007 10.674 10.871 1.00 0.00 O ATOM 684 CB SER A 41 3.870 9.739 11.039 1.00 0.00 C ATOM 685 OG SER A 41 3.977 8.437 10.479 1.00 0.00 O ATOM 0 H SER A 41 3.308 10.232 8.678 1.00 0.00 H new ATOM 0 HA SER A 41 4.696 11.701 10.671 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.216 9.733 12.073 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.828 10.057 11.054 1.00 0.00 H new ATOM 0 HG SER A 41 4.747 7.975 10.870 1.00 0.00 H new ATOM 691 N HIS A 42 6.431 9.262 9.284 1.00 0.00 N ATOM 692 CA HIS A 42 7.826 8.719 9.180 1.00 0.00 C ATOM 693 C HIS A 42 8.219 8.531 7.709 1.00 0.00 C ATOM 694 O HIS A 42 9.383 8.418 7.382 1.00 0.00 O ATOM 695 CB HIS A 42 7.882 7.368 9.893 1.00 0.00 C ATOM 696 CG HIS A 42 7.687 7.576 11.369 1.00 0.00 C ATOM 697 ND1 HIS A 42 6.427 7.674 11.941 1.00 0.00 N ATOM 698 CD2 HIS A 42 8.580 7.706 12.405 1.00 0.00 C ATOM 699 CE1 HIS A 42 6.594 7.854 13.264 1.00 0.00 C ATOM 700 NE2 HIS A 42 7.886 7.880 13.596 1.00 0.00 N ATOM 0 H HIS A 42 5.754 8.837 8.650 1.00 0.00 H new ATOM 0 HA HIS A 42 8.520 9.422 9.641 1.00 0.00 H new ATOM 0 HB2 HIS A 42 7.110 6.706 9.502 1.00 0.00 H new ATOM 0 HB3 HIS A 42 8.841 6.885 9.706 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.655 7.677 12.308 1.00 0.00 H new ATOM 0 HE1 HIS A 42 5.783 7.964 13.969 1.00 0.00 H new ATOM 0 HE2 HIS A 42 8.281 8.002 14.528 1.00 0.00 H new ATOM 709 N PHE A 43 7.265 8.487 6.821 1.00 0.00 N ATOM 710 CA PHE A 43 7.599 8.296 5.383 1.00 0.00 C ATOM 711 C PHE A 43 8.467 9.455 4.882 1.00 0.00 C ATOM 712 O PHE A 43 9.395 9.254 4.123 1.00 0.00 O ATOM 713 CB PHE A 43 6.308 8.206 4.562 1.00 0.00 C ATOM 714 CG PHE A 43 6.640 8.031 3.093 1.00 0.00 C ATOM 715 CD1 PHE A 43 7.373 6.914 2.662 1.00 0.00 C ATOM 716 CD2 PHE A 43 6.216 8.987 2.159 1.00 0.00 C ATOM 717 CE1 PHE A 43 7.679 6.758 1.304 1.00 0.00 C ATOM 718 CE2 PHE A 43 6.522 8.828 0.804 1.00 0.00 C ATOM 719 CZ PHE A 43 7.254 7.714 0.376 1.00 0.00 C ATOM 0 H PHE A 43 6.270 8.575 7.029 1.00 0.00 H new ATOM 0 HA PHE A 43 8.160 7.369 5.267 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.704 7.368 4.909 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.713 9.108 4.704 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.701 6.175 3.378 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.652 9.848 2.487 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.244 5.899 0.973 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.193 9.565 0.087 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.490 7.593 -0.671 1.00 0.00 H new ATOM 729 N LEU A 44 8.174 10.665 5.297 1.00 0.00 N ATOM 730 CA LEU A 44 8.979 11.843 4.846 1.00 0.00 C ATOM 731 C LEU A 44 9.390 12.643 6.082 1.00 0.00 C ATOM 732 O LEU A 44 8.786 12.528 7.130 1.00 0.00 O ATOM 733 CB LEU A 44 8.118 12.714 3.917 1.00 0.00 C ATOM 734 CG LEU A 44 9.014 13.627 3.051 1.00 0.00 C ATOM 735 CD1 LEU A 44 9.502 12.870 1.806 1.00 0.00 C ATOM 736 CD2 LEU A 44 8.210 14.851 2.601 1.00 0.00 C ATOM 0 H LEU A 44 7.407 10.887 5.932 1.00 0.00 H new ATOM 0 HA LEU A 44 9.867 11.519 4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.507 12.079 3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.433 13.321 4.509 1.00 0.00 H new ATOM 0 HG LEU A 44 9.874 13.938 3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.132 13.526 1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.077 11.996 2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.644 12.550 1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.841 15.496 1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.349 14.526 2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.867 15.403 3.476 1.00 0.00 H new ATOM 748 N GLU A 45 10.414 13.441 5.983 1.00 0.00 N ATOM 749 CA GLU A 45 10.845 14.219 7.175 1.00 0.00 C ATOM 750 C GLU A 45 9.710 15.140 7.622 1.00 0.00 C ATOM 751 O GLU A 45 9.359 16.088 6.950 1.00 0.00 O ATOM 752 CB GLU A 45 12.074 15.060 6.820 1.00 0.00 C ATOM 753 CG GLU A 45 12.526 15.857 8.048 1.00 0.00 C ATOM 754 CD GLU A 45 13.858 16.545 7.745 1.00 0.00 C ATOM 755 OE1 GLU A 45 14.350 16.378 6.641 1.00 0.00 O ATOM 756 OE2 GLU A 45 14.364 17.226 8.621 1.00 0.00 O ATOM 0 H GLU A 45 10.966 13.588 5.138 1.00 0.00 H new ATOM 0 HA GLU A 45 11.096 13.533 7.984 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.882 14.414 6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.838 15.739 6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.772 16.599 8.311 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.634 15.194 8.906 1.00 0.00 H new ATOM 763 N GLU A 46 9.143 14.866 8.762 1.00 0.00 N ATOM 764 CA GLU A 46 8.034 15.720 9.277 1.00 0.00 C ATOM 765 C GLU A 46 8.476 17.183 9.307 1.00 0.00 C ATOM 766 O GLU A 46 9.646 17.496 9.376 1.00 0.00 O ATOM 767 CB GLU A 46 7.664 15.279 10.709 1.00 0.00 C ATOM 768 CG GLU A 46 6.576 14.209 10.677 1.00 0.00 C ATOM 769 CD GLU A 46 6.256 13.786 12.113 1.00 0.00 C ATOM 770 OE1 GLU A 46 7.083 14.031 12.977 1.00 0.00 O ATOM 771 OE2 GLU A 46 5.190 13.236 12.330 1.00 0.00 O ATOM 0 H GLU A 46 9.400 14.084 9.364 1.00 0.00 H new ATOM 0 HA GLU A 46 7.170 15.612 8.621 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.548 14.892 11.216 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.319 16.139 11.283 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.681 14.596 10.189 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.909 13.349 10.096 1.00 0.00 H new ATOM 778 N ILE A 47 7.527 18.077 9.277 1.00 0.00 N ATOM 779 CA ILE A 47 7.844 19.528 9.330 1.00 0.00 C ATOM 780 C ILE A 47 7.730 19.972 10.789 1.00 0.00 C ATOM 781 O ILE A 47 6.744 19.704 11.447 1.00 0.00 O ATOM 782 CB ILE A 47 6.832 20.308 8.479 1.00 0.00 C ATOM 783 CG1 ILE A 47 6.796 19.753 7.037 1.00 0.00 C ATOM 784 CG2 ILE A 47 7.213 21.791 8.467 1.00 0.00 C ATOM 785 CD1 ILE A 47 7.942 20.322 6.186 1.00 0.00 C ATOM 0 H ILE A 47 6.532 17.859 9.217 1.00 0.00 H new ATOM 0 HA ILE A 47 8.846 19.716 8.945 1.00 0.00 H new ATOM 0 HB ILE A 47 5.839 20.194 8.913 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.866 18.666 7.063 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.840 20.000 6.575 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.495 22.346 7.863 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.205 22.177 9.486 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.210 21.907 8.043 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.886 19.910 5.178 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.857 21.408 6.140 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.898 20.052 6.635 1.00 0.00 H new ATOM 797 N LYS A 48 8.736 20.623 11.312 1.00 0.00 N ATOM 798 CA LYS A 48 8.693 21.055 12.743 1.00 0.00 C ATOM 799 C LYS A 48 8.336 22.541 12.811 1.00 0.00 C ATOM 800 O LYS A 48 7.835 23.022 13.808 1.00 0.00 O ATOM 801 CB LYS A 48 10.077 20.821 13.371 1.00 0.00 C ATOM 802 CG LYS A 48 10.704 19.541 12.800 1.00 0.00 C ATOM 803 CD LYS A 48 9.807 18.332 13.080 1.00 0.00 C ATOM 804 CE LYS A 48 10.464 17.084 12.498 1.00 0.00 C ATOM 805 NZ LYS A 48 11.733 16.807 13.227 1.00 0.00 N ATOM 0 H LYS A 48 9.587 20.875 10.810 1.00 0.00 H new ATOM 0 HA LYS A 48 7.942 20.482 13.287 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.725 21.674 13.170 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.985 20.739 14.454 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.852 19.650 11.726 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.687 19.382 13.243 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.658 18.214 14.153 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.823 18.482 12.636 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.790 16.232 12.582 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.665 17.227 11.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.996 15.809 13.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.489 17.415 12.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.601 17.003 14.240 1.00 0.00 H new ATOM 819 N GLU A 49 8.586 23.268 11.750 1.00 0.00 N ATOM 820 CA GLU A 49 8.263 24.729 11.723 1.00 0.00 C ATOM 821 C GLU A 49 7.359 25.037 10.534 1.00 0.00 C ATOM 822 O GLU A 49 7.544 24.522 9.449 1.00 0.00 O ATOM 823 CB GLU A 49 9.553 25.535 11.591 1.00 0.00 C ATOM 824 CG GLU A 49 10.340 25.444 12.894 1.00 0.00 C ATOM 825 CD GLU A 49 11.738 26.033 12.694 1.00 0.00 C ATOM 826 OE1 GLU A 49 12.023 26.470 11.592 1.00 0.00 O ATOM 827 OE2 GLU A 49 12.498 26.039 13.648 1.00 0.00 O ATOM 0 H GLU A 49 9.004 22.908 10.892 1.00 0.00 H new ATOM 0 HA GLU A 49 7.753 24.998 12.648 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.151 25.153 10.764 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.323 26.576 11.363 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.817 25.983 13.684 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.415 24.404 13.213 1.00 0.00 H new ATOM 834 N GLN A 50 6.392 25.884 10.727 1.00 0.00 N ATOM 835 CA GLN A 50 5.485 26.239 9.607 1.00 0.00 C ATOM 836 C GLN A 50 6.261 27.064 8.580 1.00 0.00 C ATOM 837 O GLN A 50 5.862 27.182 7.443 1.00 0.00 O ATOM 838 CB GLN A 50 4.309 27.072 10.127 1.00 0.00 C ATOM 839 CG GLN A 50 3.194 27.108 9.062 1.00 0.00 C ATOM 840 CD GLN A 50 2.414 28.418 9.160 1.00 0.00 C ATOM 841 OE1 GLN A 50 1.606 28.600 10.048 1.00 0.00 O ATOM 842 NE2 GLN A 50 2.638 29.344 8.270 1.00 0.00 N ATOM 0 H GLN A 50 6.190 26.346 11.613 1.00 0.00 H new ATOM 0 HA GLN A 50 5.105 25.325 9.150 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.928 26.644 11.054 1.00 0.00 H new ATOM 0 HB3 GLN A 50 4.640 28.085 10.357 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.628 27.008 8.067 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.520 26.263 9.202 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.318 29.184 7.527 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.133 30.229 8.317 1.00 0.00 H new ATOM 851 N GLU A 51 7.362 27.650 8.969 1.00 0.00 N ATOM 852 CA GLU A 51 8.138 28.477 7.996 1.00 0.00 C ATOM 853 C GLU A 51 8.564 27.601 6.821 1.00 0.00 C ATOM 854 O GLU A 51 8.592 28.042 5.695 1.00 0.00 O ATOM 855 CB GLU A 51 9.371 29.079 8.682 1.00 0.00 C ATOM 856 CG GLU A 51 10.436 27.999 8.901 1.00 0.00 C ATOM 857 CD GLU A 51 11.447 28.481 9.946 1.00 0.00 C ATOM 858 OE1 GLU A 51 11.068 28.594 11.101 1.00 0.00 O ATOM 859 OE2 GLU A 51 12.580 28.735 9.573 1.00 0.00 O ATOM 0 H GLU A 51 7.756 27.594 9.908 1.00 0.00 H new ATOM 0 HA GLU A 51 7.513 29.292 7.632 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.779 29.884 8.071 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.086 29.518 9.638 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.967 27.073 9.234 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.944 27.779 7.962 1.00 0.00 H new ATOM 866 N VAL A 52 8.875 26.362 7.067 1.00 0.00 N ATOM 867 CA VAL A 52 9.267 25.466 5.948 1.00 0.00 C ATOM 868 C VAL A 52 8.105 25.394 4.978 1.00 0.00 C ATOM 869 O VAL A 52 8.282 25.343 3.782 1.00 0.00 O ATOM 870 CB VAL A 52 9.567 24.071 6.488 1.00 0.00 C ATOM 871 CG1 VAL A 52 9.914 23.130 5.332 1.00 0.00 C ATOM 872 CG2 VAL A 52 10.740 24.149 7.462 1.00 0.00 C ATOM 0 H VAL A 52 8.875 25.932 7.992 1.00 0.00 H new ATOM 0 HA VAL A 52 10.157 25.849 5.450 1.00 0.00 H new ATOM 0 HB VAL A 52 8.689 23.685 7.006 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.127 22.135 5.724 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.072 23.075 4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.790 23.508 4.806 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.957 23.154 7.850 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.618 24.536 6.944 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.484 24.813 8.288 1.00 0.00 H new ATOM 882 N VAL A 53 6.917 25.376 5.496 1.00 0.00 N ATOM 883 CA VAL A 53 5.722 25.303 4.629 1.00 0.00 C ATOM 884 C VAL A 53 5.576 26.608 3.852 1.00 0.00 C ATOM 885 O VAL A 53 5.113 26.617 2.740 1.00 0.00 O ATOM 886 CB VAL A 53 4.507 25.072 5.509 1.00 0.00 C ATOM 887 CG1 VAL A 53 3.277 24.848 4.643 1.00 0.00 C ATOM 888 CG2 VAL A 53 4.755 23.845 6.379 1.00 0.00 C ATOM 0 H VAL A 53 6.722 25.409 6.497 1.00 0.00 H new ATOM 0 HA VAL A 53 5.817 24.485 3.915 1.00 0.00 H new ATOM 0 HB VAL A 53 4.339 25.945 6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.408 24.683 5.280 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.107 25.725 4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.433 23.975 4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.888 23.669 7.016 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.920 22.975 5.743 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.634 24.012 7.001 1.00 0.00 H new ATOM 898 N ASP A 54 5.959 27.708 4.442 1.00 0.00 N ATOM 899 CA ASP A 54 5.854 29.021 3.745 1.00 0.00 C ATOM 900 C ASP A 54 6.796 29.036 2.539 1.00 0.00 C ATOM 901 O ASP A 54 6.498 29.576 1.493 1.00 0.00 O ATOM 902 CB ASP A 54 6.251 30.145 4.706 1.00 0.00 C ATOM 903 CG ASP A 54 6.130 31.495 3.996 1.00 0.00 C ATOM 904 OD1 ASP A 54 5.952 31.496 2.789 1.00 0.00 O ATOM 905 OD2 ASP A 54 6.215 32.507 4.673 1.00 0.00 O ATOM 0 H ASP A 54 6.344 27.753 5.386 1.00 0.00 H new ATOM 0 HA ASP A 54 4.827 29.170 3.411 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.609 30.127 5.587 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.273 29.996 5.053 1.00 0.00 H new ATOM 910 N LYS A 55 7.941 28.456 2.700 1.00 0.00 N ATOM 911 CA LYS A 55 8.941 28.417 1.597 1.00 0.00 C ATOM 912 C LYS A 55 8.423 27.488 0.507 1.00 0.00 C ATOM 913 O LYS A 55 8.529 27.753 -0.679 1.00 0.00 O ATOM 914 CB LYS A 55 10.273 27.899 2.149 1.00 0.00 C ATOM 915 CG LYS A 55 11.364 28.069 1.096 1.00 0.00 C ATOM 916 CD LYS A 55 12.707 27.615 1.669 1.00 0.00 C ATOM 917 CE LYS A 55 13.813 27.913 0.655 1.00 0.00 C ATOM 918 NZ LYS A 55 13.598 27.086 -0.562 1.00 0.00 N ATOM 0 H LYS A 55 8.237 27.998 3.562 1.00 0.00 H new ATOM 0 HA LYS A 55 9.095 29.413 1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.539 28.444 3.055 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.180 26.849 2.425 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.120 27.485 0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.424 29.112 0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.909 28.131 2.607 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.679 26.548 1.892 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.809 28.972 0.395 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.789 27.695 1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.393 27.222 -1.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.538 26.083 -0.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.713 27.374 -1.026 1.00 0.00 H new ATOM 932 N VAL A 56 7.839 26.408 0.918 1.00 0.00 N ATOM 933 CA VAL A 56 7.275 25.441 -0.052 1.00 0.00 C ATOM 934 C VAL A 56 6.087 26.106 -0.741 1.00 0.00 C ATOM 935 O VAL A 56 5.787 25.850 -1.891 1.00 0.00 O ATOM 936 CB VAL A 56 6.839 24.181 0.699 1.00 0.00 C ATOM 937 CG1 VAL A 56 6.009 23.285 -0.220 1.00 0.00 C ATOM 938 CG2 VAL A 56 8.085 23.421 1.161 1.00 0.00 C ATOM 0 H VAL A 56 7.726 26.149 1.898 1.00 0.00 H new ATOM 0 HA VAL A 56 8.012 25.154 -0.802 1.00 0.00 H new ATOM 0 HB VAL A 56 6.233 24.464 1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.703 22.391 0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.124 23.827 -0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.607 22.998 -1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.784 22.521 1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.684 23.143 0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.675 24.057 1.821 1.00 0.00 H new ATOM 948 N MET A 57 5.427 26.980 -0.035 1.00 0.00 N ATOM 949 CA MET A 57 4.264 27.707 -0.619 1.00 0.00 C ATOM 950 C MET A 57 4.765 28.541 -1.794 1.00 0.00 C ATOM 951 O MET A 57 4.123 28.653 -2.805 1.00 0.00 O ATOM 952 CB MET A 57 3.631 28.619 0.458 1.00 0.00 C ATOM 953 CG MET A 57 2.361 27.987 1.086 1.00 0.00 C ATOM 954 SD MET A 57 0.890 28.801 0.373 1.00 0.00 S ATOM 955 CE MET A 57 -0.212 27.377 0.137 1.00 0.00 C ATOM 0 H MET A 57 5.645 27.225 0.931 1.00 0.00 H new ATOM 0 HA MET A 57 3.506 27.004 -0.964 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.363 28.815 1.242 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.375 29.580 0.013 1.00 0.00 H new ATOM 0 HG2 MET A 57 2.334 26.916 0.887 1.00 0.00 H new ATOM 0 HG3 MET A 57 2.373 28.110 2.169 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.619 27.396 -0.874 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.349 26.454 0.285 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.028 27.425 0.858 1.00 0.00 H new ATOM 965 N GLU A 58 5.915 29.121 -1.682 1.00 0.00 N ATOM 966 CA GLU A 58 6.419 29.928 -2.817 1.00 0.00 C ATOM 967 C GLU A 58 6.437 29.029 -4.048 1.00 0.00 C ATOM 968 O GLU A 58 6.105 29.437 -5.142 1.00 0.00 O ATOM 969 CB GLU A 58 7.835 30.417 -2.514 1.00 0.00 C ATOM 970 CG GLU A 58 8.299 31.350 -3.633 1.00 0.00 C ATOM 971 CD GLU A 58 9.715 31.842 -3.334 1.00 0.00 C ATOM 972 OE1 GLU A 58 10.205 31.554 -2.255 1.00 0.00 O ATOM 973 OE2 GLU A 58 10.283 32.504 -4.187 1.00 0.00 O ATOM 0 H GLU A 58 6.524 29.075 -0.865 1.00 0.00 H new ATOM 0 HA GLU A 58 5.782 30.796 -2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.854 30.940 -1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.514 29.569 -2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.279 30.826 -4.589 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.619 32.197 -3.719 1.00 0.00 H new ATOM 980 N THR A 59 6.827 27.800 -3.866 1.00 0.00 N ATOM 981 CA THR A 59 6.875 26.852 -5.011 1.00 0.00 C ATOM 982 C THR A 59 5.475 26.315 -5.357 1.00 0.00 C ATOM 983 O THR A 59 5.112 26.221 -6.513 1.00 0.00 O ATOM 984 CB THR A 59 7.781 25.677 -4.636 1.00 0.00 C ATOM 985 OG1 THR A 59 8.989 26.173 -4.076 1.00 0.00 O ATOM 986 CG2 THR A 59 8.098 24.849 -5.880 1.00 0.00 C ATOM 0 H THR A 59 7.116 27.410 -2.969 1.00 0.00 H new ATOM 0 HA THR A 59 7.261 27.381 -5.882 1.00 0.00 H new ATOM 0 HB THR A 59 7.271 25.047 -3.907 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.570 25.422 -3.834 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.743 24.014 -5.607 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.172 24.467 -6.308 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.606 25.475 -6.614 1.00 0.00 H new ATOM 994 N LEU A 60 4.698 25.928 -4.375 1.00 0.00 N ATOM 995 CA LEU A 60 3.342 25.361 -4.667 1.00 0.00 C ATOM 996 C LEU A 60 2.283 26.454 -4.711 1.00 0.00 C ATOM 997 O LEU A 60 1.194 26.241 -5.201 1.00 0.00 O ATOM 998 CB LEU A 60 2.967 24.346 -3.584 1.00 0.00 C ATOM 999 CG LEU A 60 4.081 23.304 -3.423 1.00 0.00 C ATOM 1000 CD1 LEU A 60 3.588 22.185 -2.500 1.00 0.00 C ATOM 1001 CD2 LEU A 60 4.456 22.716 -4.793 1.00 0.00 C ATOM 0 H LEU A 60 4.942 25.979 -3.386 1.00 0.00 H new ATOM 0 HA LEU A 60 3.382 24.877 -5.643 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.800 24.859 -2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.032 23.851 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 60 4.962 23.779 -2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.374 21.440 -2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.332 22.603 -1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.706 21.716 -2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.248 21.977 -4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.582 22.239 -5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.805 23.514 -5.448 1.00 0.00 H new ATOM 1013 N ASP A 61 2.575 27.623 -4.228 1.00 0.00 N ATOM 1014 CA ASP A 61 1.546 28.700 -4.288 1.00 0.00 C ATOM 1015 C ASP A 61 1.602 29.284 -5.686 1.00 0.00 C ATOM 1016 O ASP A 61 1.898 30.446 -5.889 1.00 0.00 O ATOM 1017 CB ASP A 61 1.823 29.792 -3.253 1.00 0.00 C ATOM 1018 CG ASP A 61 0.611 30.720 -3.174 1.00 0.00 C ATOM 1019 OD1 ASP A 61 -0.271 30.583 -4.007 1.00 0.00 O ATOM 1020 OD2 ASP A 61 0.581 31.548 -2.278 1.00 0.00 O ATOM 0 H ASP A 61 3.464 27.882 -3.800 1.00 0.00 H new ATOM 0 HA ASP A 61 0.560 28.291 -4.065 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.020 29.346 -2.278 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.713 30.357 -3.531 1.00 0.00 H new ATOM 1025 N GLU A 62 1.338 28.461 -6.654 1.00 0.00 N ATOM 1026 CA GLU A 62 1.389 28.914 -8.065 1.00 0.00 C ATOM 1027 C GLU A 62 0.389 30.049 -8.264 1.00 0.00 C ATOM 1028 O GLU A 62 0.660 31.019 -8.943 1.00 0.00 O ATOM 1029 CB GLU A 62 1.008 27.744 -8.967 1.00 0.00 C ATOM 1030 CG GLU A 62 1.853 26.519 -8.600 1.00 0.00 C ATOM 1031 CD GLU A 62 1.554 25.383 -9.581 1.00 0.00 C ATOM 1032 OE1 GLU A 62 0.612 25.519 -10.344 1.00 0.00 O ATOM 1033 OE2 GLU A 62 2.274 24.398 -9.554 1.00 0.00 O ATOM 0 H GLU A 62 1.086 27.481 -6.526 1.00 0.00 H new ATOM 0 HA GLU A 62 2.392 29.264 -8.310 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.052 27.515 -8.855 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.168 28.010 -10.012 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.913 26.772 -8.631 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.631 26.202 -7.581 1.00 0.00 H new ATOM 1040 N ASP A 63 -0.762 29.939 -7.667 1.00 0.00 N ATOM 1041 CA ASP A 63 -1.777 31.015 -7.811 1.00 0.00 C ATOM 1042 C ASP A 63 -1.344 32.213 -6.966 1.00 0.00 C ATOM 1043 O ASP A 63 -1.845 33.309 -7.116 1.00 0.00 O ATOM 1044 CB ASP A 63 -3.128 30.501 -7.313 1.00 0.00 C ATOM 1045 CG ASP A 63 -3.560 29.300 -8.155 1.00 0.00 C ATOM 1046 OD1 ASP A 63 -3.521 29.407 -9.370 1.00 0.00 O ATOM 1047 OD2 ASP A 63 -3.921 28.293 -7.569 1.00 0.00 O ATOM 0 H ASP A 63 -1.044 29.150 -7.085 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.865 31.311 -8.856 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.056 30.215 -6.264 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.876 31.291 -7.378 1.00 0.00 H new ATOM 1052 N GLY A 64 -0.402 32.010 -6.084 1.00 0.00 N ATOM 1053 CA GLY A 64 0.077 33.138 -5.232 1.00 0.00 C ATOM 1054 C GLY A 64 -1.043 33.593 -4.291 1.00 0.00 C ATOM 1055 O GLY A 64 -1.115 34.750 -3.926 1.00 0.00 O ATOM 0 H GLY A 64 0.056 31.114 -5.917 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.945 32.824 -4.653 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.396 33.970 -5.860 1.00 0.00 H new ATOM 1059 N ASP A 65 -1.921 32.698 -3.897 1.00 0.00 N ATOM 1060 CA ASP A 65 -3.043 33.085 -2.981 1.00 0.00 C ATOM 1061 C ASP A 65 -2.782 32.526 -1.582 1.00 0.00 C ATOM 1062 O ASP A 65 -3.623 32.603 -0.708 1.00 0.00 O ATOM 1063 CB ASP A 65 -4.358 32.520 -3.527 1.00 0.00 C ATOM 1064 CG ASP A 65 -4.277 30.995 -3.595 1.00 0.00 C ATOM 1065 OD1 ASP A 65 -3.179 30.473 -3.494 1.00 0.00 O ATOM 1066 OD2 ASP A 65 -5.315 30.374 -3.754 1.00 0.00 O ATOM 0 H ASP A 65 -1.908 31.716 -4.171 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.109 34.171 -2.924 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.187 32.821 -2.887 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.556 32.928 -4.518 1.00 0.00 H new ATOM 1071 N GLY A 66 -1.629 31.956 -1.363 1.00 0.00 N ATOM 1072 CA GLY A 66 -1.327 31.386 -0.020 1.00 0.00 C ATOM 1073 C GLY A 66 -2.029 30.037 0.104 1.00 0.00 C ATOM 1074 O GLY A 66 -2.016 29.404 1.141 1.00 0.00 O ATOM 0 H GLY A 66 -0.885 31.860 -2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.251 31.266 0.107 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.667 32.063 0.764 1.00 0.00 H new ATOM 1078 N GLU A 67 -2.646 29.602 -0.961 1.00 0.00 N ATOM 1079 CA GLU A 67 -3.367 28.299 -0.953 1.00 0.00 C ATOM 1080 C GLU A 67 -3.041 27.540 -2.240 1.00 0.00 C ATOM 1081 O GLU A 67 -3.157 28.068 -3.329 1.00 0.00 O ATOM 1082 CB GLU A 67 -4.873 28.564 -0.902 1.00 0.00 C ATOM 1083 CG GLU A 67 -5.181 29.549 0.226 1.00 0.00 C ATOM 1084 CD GLU A 67 -6.690 29.794 0.294 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -7.152 30.708 -0.370 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -7.356 29.067 1.011 1.00 0.00 O ATOM 0 H GLU A 67 -2.681 30.103 -1.849 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.062 27.712 -0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.214 28.968 -1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.412 27.630 -0.741 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.823 29.153 1.176 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.657 30.489 0.055 1.00 0.00 H new ATOM 1093 N CYS A 68 -2.656 26.298 -2.126 1.00 0.00 N ATOM 1094 CA CYS A 68 -2.343 25.484 -3.344 1.00 0.00 C ATOM 1095 C CYS A 68 -3.579 24.643 -3.676 1.00 0.00 C ATOM 1096 O CYS A 68 -4.112 23.951 -2.842 1.00 0.00 O ATOM 1097 CB CYS A 68 -1.119 24.584 -3.073 1.00 0.00 C ATOM 1098 SG CYS A 68 -0.933 24.333 -1.289 1.00 0.00 S ATOM 0 H CYS A 68 -2.543 25.807 -1.239 1.00 0.00 H new ATOM 0 HA CYS A 68 -2.099 26.128 -4.189 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -1.242 23.624 -3.575 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -0.219 25.044 -3.482 1.00 0.00 H new ATOM 0 HG CYS A 68 -0.805 23.063 -1.040 1.00 0.00 H new ATOM 1104 N ASP A 69 -4.044 24.723 -4.886 1.00 0.00 N ATOM 1105 CA ASP A 69 -5.259 23.958 -5.284 1.00 0.00 C ATOM 1106 C ASP A 69 -4.927 22.469 -5.405 1.00 0.00 C ATOM 1107 O ASP A 69 -3.775 22.087 -5.484 1.00 0.00 O ATOM 1108 CB ASP A 69 -5.773 24.509 -6.612 1.00 0.00 C ATOM 1109 CG ASP A 69 -6.376 25.898 -6.386 1.00 0.00 C ATOM 1110 OD1 ASP A 69 -6.728 26.195 -5.255 1.00 0.00 O ATOM 1111 OD2 ASP A 69 -6.477 26.642 -7.347 1.00 0.00 O ATOM 0 H ASP A 69 -3.632 25.291 -5.627 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.034 24.068 -4.525 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.959 24.567 -7.334 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -6.523 23.838 -7.031 1.00 0.00 H new ATOM 1116 N PHE A 70 -5.923 21.617 -5.387 1.00 0.00 N ATOM 1117 CA PHE A 70 -5.641 20.158 -5.465 1.00 0.00 C ATOM 1118 C PHE A 70 -4.739 19.884 -6.667 1.00 0.00 C ATOM 1119 O PHE A 70 -3.923 18.994 -6.633 1.00 0.00 O ATOM 1120 CB PHE A 70 -6.966 19.352 -5.532 1.00 0.00 C ATOM 1121 CG PHE A 70 -7.338 18.937 -6.942 1.00 0.00 C ATOM 1122 CD1 PHE A 70 -8.052 19.802 -7.778 1.00 0.00 C ATOM 1123 CD2 PHE A 70 -6.988 17.658 -7.394 1.00 0.00 C ATOM 1124 CE1 PHE A 70 -8.411 19.387 -9.069 1.00 0.00 C ATOM 1125 CE2 PHE A 70 -7.351 17.244 -8.675 1.00 0.00 C ATOM 1126 CZ PHE A 70 -8.061 18.105 -9.514 1.00 0.00 C ATOM 0 H PHE A 70 -6.909 21.870 -5.322 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.118 19.832 -4.566 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.875 18.462 -4.910 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.772 19.954 -5.112 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.326 20.787 -7.430 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.436 16.991 -6.749 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.957 20.055 -9.719 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.083 16.256 -9.019 1.00 0.00 H new ATOM 0 HZ PHE A 70 -8.341 17.783 -10.506 1.00 0.00 H new ATOM 1136 N GLN A 71 -4.856 20.645 -7.719 1.00 0.00 N ATOM 1137 CA GLN A 71 -3.959 20.406 -8.881 1.00 0.00 C ATOM 1138 C GLN A 71 -2.533 20.789 -8.478 1.00 0.00 C ATOM 1139 O GLN A 71 -1.577 20.136 -8.849 1.00 0.00 O ATOM 1140 CB GLN A 71 -4.404 21.239 -10.090 1.00 0.00 C ATOM 1141 CG GLN A 71 -4.295 22.723 -9.775 1.00 0.00 C ATOM 1142 CD GLN A 71 -4.934 23.529 -10.908 1.00 0.00 C ATOM 1143 OE1 GLN A 71 -6.028 23.227 -11.340 1.00 0.00 O ATOM 1144 NE2 GLN A 71 -4.290 24.545 -11.416 1.00 0.00 N ATOM 0 H GLN A 71 -5.523 21.410 -7.824 1.00 0.00 H new ATOM 0 HA GLN A 71 -4.001 19.354 -9.164 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -3.786 20.997 -10.955 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.432 20.990 -10.353 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.793 22.944 -8.831 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -3.249 23.006 -9.657 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.371 24.799 -11.054 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.706 25.084 -12.175 1.00 0.00 H new ATOM 1153 N GLU A 72 -2.378 21.842 -7.713 1.00 0.00 N ATOM 1154 CA GLU A 72 -1.010 22.251 -7.289 1.00 0.00 C ATOM 1155 C GLU A 72 -0.444 21.205 -6.323 1.00 0.00 C ATOM 1156 O GLU A 72 0.716 20.841 -6.383 1.00 0.00 O ATOM 1157 CB GLU A 72 -1.094 23.608 -6.585 1.00 0.00 C ATOM 1158 CG GLU A 72 -1.435 24.692 -7.611 1.00 0.00 C ATOM 1159 CD GLU A 72 -1.605 26.040 -6.906 1.00 0.00 C ATOM 1160 OE1 GLU A 72 -0.602 26.688 -6.660 1.00 0.00 O ATOM 1161 OE2 GLU A 72 -2.736 26.403 -6.630 1.00 0.00 O ATOM 0 H GLU A 72 -3.136 22.430 -7.368 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.358 22.328 -8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.854 23.579 -5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.146 23.837 -6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.644 24.760 -8.358 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.352 24.430 -8.139 1.00 0.00 H new ATOM 1168 N PHE A 73 -1.269 20.706 -5.444 1.00 0.00 N ATOM 1169 CA PHE A 73 -0.816 19.674 -4.475 1.00 0.00 C ATOM 1170 C PHE A 73 -0.339 18.432 -5.225 1.00 0.00 C ATOM 1171 O PHE A 73 0.602 17.775 -4.830 1.00 0.00 O ATOM 1172 CB PHE A 73 -1.978 19.296 -3.555 1.00 0.00 C ATOM 1173 CG PHE A 73 -1.540 18.173 -2.653 1.00 0.00 C ATOM 1174 CD1 PHE A 73 -0.841 18.454 -1.477 1.00 0.00 C ATOM 1175 CD2 PHE A 73 -1.827 16.850 -3.002 1.00 0.00 C ATOM 1176 CE1 PHE A 73 -0.426 17.410 -0.648 1.00 0.00 C ATOM 1177 CE2 PHE A 73 -1.416 15.804 -2.174 1.00 0.00 C ATOM 1178 CZ PHE A 73 -0.716 16.081 -0.996 1.00 0.00 C ATOM 0 H PHE A 73 -2.249 20.974 -5.357 1.00 0.00 H new ATOM 0 HA PHE A 73 0.007 20.074 -3.883 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -2.285 20.158 -2.962 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -2.842 18.991 -4.145 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.622 19.477 -1.209 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.367 16.637 -3.913 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.118 17.625 0.260 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.639 14.782 -2.443 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.398 15.273 -0.354 1.00 0.00 H new ATOM 1188 N MET A 74 -1.008 18.105 -6.288 1.00 0.00 N ATOM 1189 CA MET A 74 -0.651 16.898 -7.077 1.00 0.00 C ATOM 1190 C MET A 74 0.781 17.002 -7.601 1.00 0.00 C ATOM 1191 O MET A 74 1.502 16.023 -7.666 1.00 0.00 O ATOM 1192 CB MET A 74 -1.619 16.766 -8.264 1.00 0.00 C ATOM 1193 CG MET A 74 -2.953 16.148 -7.810 1.00 0.00 C ATOM 1194 SD MET A 74 -2.695 14.472 -7.159 1.00 0.00 S ATOM 1195 CE MET A 74 -1.987 13.735 -8.650 1.00 0.00 C ATOM 0 H MET A 74 -1.802 18.632 -6.651 1.00 0.00 H new ATOM 0 HA MET A 74 -0.725 16.022 -6.433 1.00 0.00 H new ATOM 0 HB2 MET A 74 -1.798 17.747 -8.705 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.170 16.145 -9.039 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.408 16.775 -7.043 1.00 0.00 H new ATOM 0 HG3 MET A 74 -3.648 16.115 -8.649 1.00 0.00 H new ATOM 0 HE1 MET A 74 -2.032 12.648 -8.575 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.553 14.062 -9.522 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.948 14.049 -8.753 1.00 0.00 H new ATOM 1205 N ALA A 75 1.189 18.159 -8.019 1.00 0.00 N ATOM 1206 CA ALA A 75 2.562 18.279 -8.578 1.00 0.00 C ATOM 1207 C ALA A 75 3.624 18.083 -7.490 1.00 0.00 C ATOM 1208 O ALA A 75 4.719 17.631 -7.762 1.00 0.00 O ATOM 1209 CB ALA A 75 2.730 19.648 -9.246 1.00 0.00 C ATOM 0 H ALA A 75 0.642 19.020 -8.000 1.00 0.00 H new ATOM 0 HA ALA A 75 2.700 17.495 -9.322 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.737 19.732 -9.654 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.002 19.752 -10.051 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.570 20.435 -8.509 1.00 0.00 H new ATOM 1215 N PHE A 76 3.323 18.417 -6.271 1.00 0.00 N ATOM 1216 CA PHE A 76 4.335 18.247 -5.180 1.00 0.00 C ATOM 1217 C PHE A 76 4.557 16.764 -4.891 1.00 0.00 C ATOM 1218 O PHE A 76 5.564 16.367 -4.350 1.00 0.00 O ATOM 1219 CB PHE A 76 3.828 18.935 -3.911 1.00 0.00 C ATOM 1220 CG PHE A 76 4.846 18.787 -2.801 1.00 0.00 C ATOM 1221 CD1 PHE A 76 6.052 19.495 -2.860 1.00 0.00 C ATOM 1222 CD2 PHE A 76 4.582 17.948 -1.711 1.00 0.00 C ATOM 1223 CE1 PHE A 76 6.992 19.365 -1.833 1.00 0.00 C ATOM 1224 CE2 PHE A 76 5.523 17.820 -0.682 1.00 0.00 C ATOM 1225 CZ PHE A 76 6.728 18.529 -0.743 1.00 0.00 C ATOM 0 H PHE A 76 2.425 18.800 -5.976 1.00 0.00 H new ATOM 0 HA PHE A 76 5.277 18.693 -5.497 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.644 19.991 -4.109 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.878 18.498 -3.605 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.257 20.142 -3.700 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.653 17.400 -1.664 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.923 19.911 -1.881 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.319 17.174 0.159 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.454 18.431 0.051 1.00 0.00 H new ATOM 1235 N VAL A 77 3.611 15.953 -5.218 1.00 0.00 N ATOM 1236 CA VAL A 77 3.738 14.491 -4.943 1.00 0.00 C ATOM 1237 C VAL A 77 4.630 13.840 -5.999 1.00 0.00 C ATOM 1238 O VAL A 77 5.340 12.893 -5.726 1.00 0.00 O ATOM 1239 CB VAL A 77 2.329 13.867 -4.965 1.00 0.00 C ATOM 1240 CG1 VAL A 77 2.243 12.686 -3.989 1.00 0.00 C ATOM 1241 CG2 VAL A 77 1.319 14.943 -4.566 1.00 0.00 C ATOM 0 H VAL A 77 2.740 16.232 -5.670 1.00 0.00 H new ATOM 0 HA VAL A 77 4.194 14.328 -3.966 1.00 0.00 H new ATOM 0 HB VAL A 77 2.112 13.494 -5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.240 12.260 -4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.969 11.925 -4.274 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.458 13.033 -2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.314 14.520 -4.576 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.550 15.306 -3.565 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.371 15.771 -5.273 1.00 0.00 H new ATOM 1251 N SER A 78 4.593 14.333 -7.202 1.00 0.00 N ATOM 1252 CA SER A 78 5.436 13.728 -8.271 1.00 0.00 C ATOM 1253 C SER A 78 6.907 14.071 -8.046 1.00 0.00 C ATOM 1254 O SER A 78 7.780 13.252 -8.260 1.00 0.00 O ATOM 1255 CB SER A 78 4.998 14.265 -9.638 1.00 0.00 C ATOM 1256 OG SER A 78 6.114 14.280 -10.520 1.00 0.00 O ATOM 0 H SER A 78 4.019 15.125 -7.493 1.00 0.00 H new ATOM 0 HA SER A 78 5.313 12.645 -8.241 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.204 13.641 -10.049 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.591 15.270 -9.532 1.00 0.00 H new ATOM 0 HG SER A 78 6.477 15.189 -10.573 1.00 0.00 H new ATOM 1262 N MET A 79 7.200 15.276 -7.646 1.00 0.00 N ATOM 1263 CA MET A 79 8.626 15.646 -7.451 1.00 0.00 C ATOM 1264 C MET A 79 9.216 14.930 -6.229 1.00 0.00 C ATOM 1265 O MET A 79 10.323 14.433 -6.273 1.00 0.00 O ATOM 1266 CB MET A 79 8.736 17.165 -7.290 1.00 0.00 C ATOM 1267 CG MET A 79 8.143 17.588 -5.950 1.00 0.00 C ATOM 1268 SD MET A 79 7.956 19.387 -5.911 1.00 0.00 S ATOM 1269 CE MET A 79 9.716 19.797 -5.960 1.00 0.00 C ATOM 0 H MET A 79 6.522 16.012 -7.448 1.00 0.00 H new ATOM 0 HA MET A 79 9.197 15.333 -8.325 1.00 0.00 H new ATOM 0 HB2 MET A 79 9.780 17.471 -7.348 1.00 0.00 H new ATOM 0 HB3 MET A 79 8.211 17.665 -8.104 1.00 0.00 H new ATOM 0 HG2 MET A 79 7.176 17.108 -5.801 1.00 0.00 H new ATOM 0 HG3 MET A 79 8.789 17.262 -5.135 1.00 0.00 H new ATOM 0 HE1 MET A 79 9.859 20.825 -5.628 1.00 0.00 H new ATOM 0 HE2 MET A 79 10.265 19.123 -5.302 1.00 0.00 H new ATOM 0 HE3 MET A 79 10.086 19.690 -6.980 1.00 0.00 H new ATOM 1279 N VAL A 80 8.501 14.856 -5.142 1.00 0.00 N ATOM 1280 CA VAL A 80 9.072 14.160 -3.950 1.00 0.00 C ATOM 1281 C VAL A 80 9.264 12.680 -4.273 1.00 0.00 C ATOM 1282 O VAL A 80 10.213 12.056 -3.840 1.00 0.00 O ATOM 1283 CB VAL A 80 8.153 14.284 -2.734 1.00 0.00 C ATOM 1284 CG1 VAL A 80 8.876 13.703 -1.514 1.00 0.00 C ATOM 1285 CG2 VAL A 80 7.803 15.754 -2.467 1.00 0.00 C ATOM 0 H VAL A 80 7.563 15.239 -5.025 1.00 0.00 H new ATOM 0 HA VAL A 80 10.026 14.630 -3.711 1.00 0.00 H new ATOM 0 HB VAL A 80 7.229 13.739 -2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.233 13.784 -0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.111 12.654 -1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.798 14.257 -1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.148 15.820 -1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.717 16.317 -2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.295 16.171 -3.337 1.00 0.00 H new ATOM 1295 N THR A 81 8.368 12.111 -5.029 1.00 0.00 N ATOM 1296 CA THR A 81 8.500 10.669 -5.376 1.00 0.00 C ATOM 1297 C THR A 81 9.810 10.462 -6.111 1.00 0.00 C ATOM 1298 O THR A 81 10.502 9.486 -5.909 1.00 0.00 O ATOM 1299 CB THR A 81 7.346 10.235 -6.278 1.00 0.00 C ATOM 1300 OG1 THR A 81 6.130 10.298 -5.554 1.00 0.00 O ATOM 1301 CG2 THR A 81 7.589 8.803 -6.785 1.00 0.00 C ATOM 0 H THR A 81 7.552 12.581 -5.421 1.00 0.00 H new ATOM 0 HA THR A 81 8.478 10.075 -4.462 1.00 0.00 H new ATOM 0 HB THR A 81 7.285 10.904 -7.136 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.712 11.174 -5.692 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.763 8.499 -7.428 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.520 8.771 -7.351 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.657 8.123 -5.936 1.00 0.00 H new ATOM 1309 N THR A 82 10.155 11.374 -6.969 1.00 0.00 N ATOM 1310 CA THR A 82 11.421 11.235 -7.724 1.00 0.00 C ATOM 1311 C THR A 82 12.542 10.983 -6.711 1.00 0.00 C ATOM 1312 O THR A 82 13.382 10.122 -6.897 1.00 0.00 O ATOM 1313 CB THR A 82 11.665 12.540 -8.496 1.00 0.00 C ATOM 1314 OG1 THR A 82 10.416 13.061 -8.932 1.00 0.00 O ATOM 1315 CG2 THR A 82 12.545 12.282 -9.715 1.00 0.00 C ATOM 0 H THR A 82 9.612 12.212 -7.180 1.00 0.00 H new ATOM 0 HA THR A 82 11.383 10.408 -8.433 1.00 0.00 H new ATOM 0 HB THR A 82 12.167 13.251 -7.839 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.564 13.895 -9.424 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.708 13.217 -10.251 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.504 11.877 -9.392 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.053 11.567 -10.374 1.00 0.00 H new ATOM 1323 N ALA A 83 12.521 11.693 -5.613 1.00 0.00 N ATOM 1324 CA ALA A 83 13.547 11.466 -4.556 1.00 0.00 C ATOM 1325 C ALA A 83 13.429 10.015 -4.087 1.00 0.00 C ATOM 1326 O ALA A 83 14.409 9.351 -3.812 1.00 0.00 O ATOM 1327 CB ALA A 83 13.290 12.404 -3.371 1.00 0.00 C ATOM 0 H ALA A 83 11.837 12.420 -5.404 1.00 0.00 H new ATOM 0 HA ALA A 83 14.543 11.663 -4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.043 12.233 -2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.344 13.439 -3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.300 12.207 -2.959 1.00 0.00 H new ATOM 1333 N CYS A 84 12.221 9.527 -3.994 1.00 0.00 N ATOM 1334 CA CYS A 84 12.000 8.126 -3.541 1.00 0.00 C ATOM 1335 C CYS A 84 12.714 7.154 -4.488 1.00 0.00 C ATOM 1336 O CYS A 84 13.190 6.120 -4.069 1.00 0.00 O ATOM 1337 CB CYS A 84 10.497 7.823 -3.530 1.00 0.00 C ATOM 1338 SG CYS A 84 10.174 6.428 -2.421 1.00 0.00 S ATOM 0 H CYS A 84 11.371 10.045 -4.215 1.00 0.00 H new ATOM 0 HA CYS A 84 12.403 8.006 -2.535 1.00 0.00 H new ATOM 0 HB2 CYS A 84 9.940 8.700 -3.201 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.155 7.588 -4.538 1.00 0.00 H new ATOM 0 HG CYS A 84 8.900 6.170 -2.408 1.00 0.00 H new ATOM 1344 N HIS A 85 12.797 7.465 -5.757 1.00 0.00 N ATOM 1345 CA HIS A 85 13.487 6.531 -6.691 1.00 0.00 C ATOM 1346 C HIS A 85 14.932 6.357 -6.237 1.00 0.00 C ATOM 1347 O HIS A 85 15.459 5.262 -6.229 1.00 0.00 O ATOM 1348 CB HIS A 85 13.461 7.109 -8.106 1.00 0.00 C ATOM 1349 CG HIS A 85 14.239 6.214 -9.033 1.00 0.00 C ATOM 1350 ND1 HIS A 85 15.607 6.358 -9.214 1.00 0.00 N ATOM 1351 CD2 HIS A 85 13.860 5.171 -9.845 1.00 0.00 C ATOM 1352 CE1 HIS A 85 16.000 5.428 -10.103 1.00 0.00 C ATOM 1353 NE2 HIS A 85 14.976 4.680 -10.517 1.00 0.00 N ATOM 0 H HIS A 85 12.422 8.314 -6.180 1.00 0.00 H new ATOM 0 HA HIS A 85 12.980 5.566 -6.690 1.00 0.00 H new ATOM 0 HB2 HIS A 85 12.432 7.201 -8.453 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.889 8.111 -8.108 1.00 0.00 H new ATOM 0 HD2 HIS A 85 12.854 4.792 -9.946 1.00 0.00 H new ATOM 0 HE1 HIS A 85 17.018 5.303 -10.440 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.005 3.910 -11.185 1.00 0.00 H new ATOM 1362 N GLU A 86 15.575 7.414 -5.824 1.00 0.00 N ATOM 1363 CA GLU A 86 16.976 7.265 -5.339 1.00 0.00 C ATOM 1364 C GLU A 86 16.984 6.344 -4.120 1.00 0.00 C ATOM 1365 O GLU A 86 17.874 5.537 -3.945 1.00 0.00 O ATOM 1366 CB GLU A 86 17.568 8.624 -4.947 1.00 0.00 C ATOM 1367 CG GLU A 86 17.822 9.468 -6.198 1.00 0.00 C ATOM 1368 CD GLU A 86 16.493 9.969 -6.750 1.00 0.00 C ATOM 1369 OE1 GLU A 86 15.502 9.816 -6.063 1.00 0.00 O ATOM 1370 OE2 GLU A 86 16.489 10.501 -7.848 1.00 0.00 O ATOM 0 H GLU A 86 15.198 8.362 -5.801 1.00 0.00 H new ATOM 0 HA GLU A 86 17.581 6.842 -6.141 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.885 9.148 -4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.500 8.479 -4.401 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.469 10.311 -5.956 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.341 8.875 -6.951 1.00 0.00 H new ATOM 1377 N PHE A 87 16.003 6.469 -3.267 1.00 0.00 N ATOM 1378 CA PHE A 87 15.961 5.610 -2.049 1.00 0.00 C ATOM 1379 C PHE A 87 15.379 4.243 -2.394 1.00 0.00 C ATOM 1380 O PHE A 87 15.850 3.222 -1.935 1.00 0.00 O ATOM 1381 CB PHE A 87 15.088 6.276 -0.985 1.00 0.00 C ATOM 1382 CG PHE A 87 15.792 7.503 -0.453 1.00 0.00 C ATOM 1383 CD1 PHE A 87 16.896 7.360 0.394 1.00 0.00 C ATOM 1384 CD2 PHE A 87 15.341 8.782 -0.805 1.00 0.00 C ATOM 1385 CE1 PHE A 87 17.550 8.493 0.890 1.00 0.00 C ATOM 1386 CE2 PHE A 87 15.996 9.915 -0.309 1.00 0.00 C ATOM 1387 CZ PHE A 87 17.100 9.771 0.538 1.00 0.00 C ATOM 0 H PHE A 87 15.230 7.128 -3.361 1.00 0.00 H new ATOM 0 HA PHE A 87 16.974 5.483 -1.668 1.00 0.00 H new ATOM 0 HB2 PHE A 87 14.124 6.553 -1.411 1.00 0.00 H new ATOM 0 HB3 PHE A 87 14.889 5.577 -0.173 1.00 0.00 H new ATOM 0 HD1 PHE A 87 17.244 6.374 0.665 1.00 0.00 H new ATOM 0 HD2 PHE A 87 14.489 8.893 -1.459 1.00 0.00 H new ATOM 0 HE1 PHE A 87 18.402 8.382 1.544 1.00 0.00 H new ATOM 0 HE2 PHE A 87 15.649 10.901 -0.580 1.00 0.00 H new ATOM 0 HZ PHE A 87 17.605 10.646 0.920 1.00 0.00 H new ATOM 1397 N PHE A 88 14.359 4.217 -3.204 1.00 0.00 N ATOM 1398 CA PHE A 88 13.739 2.922 -3.592 1.00 0.00 C ATOM 1399 C PHE A 88 14.347 2.472 -4.917 1.00 0.00 C ATOM 1400 O PHE A 88 13.690 2.443 -5.938 1.00 0.00 O ATOM 1401 CB PHE A 88 12.224 3.115 -3.743 1.00 0.00 C ATOM 1402 CG PHE A 88 11.600 1.873 -4.347 1.00 0.00 C ATOM 1403 CD1 PHE A 88 11.741 0.635 -3.706 1.00 0.00 C ATOM 1404 CD2 PHE A 88 10.880 1.959 -5.547 1.00 0.00 C ATOM 1405 CE1 PHE A 88 11.167 -0.512 -4.263 1.00 0.00 C ATOM 1406 CE2 PHE A 88 10.305 0.811 -6.103 1.00 0.00 C ATOM 1407 CZ PHE A 88 10.449 -0.425 -5.461 1.00 0.00 C ATOM 0 H PHE A 88 13.926 5.043 -3.616 1.00 0.00 H new ATOM 0 HA PHE A 88 13.924 2.165 -2.830 1.00 0.00 H new ATOM 0 HB2 PHE A 88 11.777 3.320 -2.770 1.00 0.00 H new ATOM 0 HB3 PHE A 88 12.021 3.979 -4.376 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.294 0.567 -2.781 1.00 0.00 H new ATOM 0 HD2 PHE A 88 10.769 2.912 -6.043 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.278 -1.466 -3.768 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.750 0.878 -7.027 1.00 0.00 H new ATOM 0 HZ PHE A 88 10.006 -1.311 -5.890 1.00 0.00 H new ATOM 1464 N MET B 0 -5.721 6.162 3.140 1.00 0.00 N ATOM 1465 CA MET B 0 -5.296 6.141 4.568 1.00 0.00 C ATOM 1466 C MET B 0 -3.784 6.358 4.658 1.00 0.00 C ATOM 1467 O MET B 0 -3.032 5.436 4.904 1.00 0.00 O ATOM 1468 CB MET B 0 -5.652 4.785 5.178 1.00 0.00 C ATOM 1469 CG MET B 0 -5.395 4.821 6.684 1.00 0.00 C ATOM 1470 SD MET B 0 -5.750 3.193 7.394 1.00 0.00 S ATOM 1471 CE MET B 0 -7.549 3.222 7.191 1.00 0.00 C ATOM 0 H1 MET B 0 -6.752 6.287 3.086 1.00 0.00 H new ATOM 0 H2 MET B 0 -5.251 6.949 2.649 1.00 0.00 H new ATOM 0 H3 MET B 0 -5.457 5.264 2.686 1.00 0.00 H new ATOM 0 HA MET B 0 -5.807 6.935 5.112 1.00 0.00 H new ATOM 0 HB2 MET B 0 -6.698 4.550 4.982 1.00 0.00 H new ATOM 0 HB3 MET B 0 -5.056 3.998 4.715 1.00 0.00 H new ATOM 0 HG2 MET B 0 -4.359 5.098 6.881 1.00 0.00 H new ATOM 0 HG3 MET B 0 -6.022 5.579 7.153 1.00 0.00 H new ATOM 0 HE1 MET B 0 -8.009 2.561 7.926 1.00 0.00 H new ATOM 0 HE2 MET B 0 -7.915 4.238 7.337 1.00 0.00 H new ATOM 0 HE3 MET B 0 -7.807 2.884 6.187 1.00 0.00 H new ATOM 1483 N SER B 1 -3.329 7.565 4.458 1.00 0.00 N ATOM 1484 CA SER B 1 -1.859 7.823 4.533 1.00 0.00 C ATOM 1485 C SER B 1 -1.123 6.792 3.678 1.00 0.00 C ATOM 1486 O SER B 1 0.059 6.559 3.836 1.00 0.00 O ATOM 1487 CB SER B 1 -1.392 7.717 5.986 1.00 0.00 C ATOM 1488 OG SER B 1 0.006 7.963 6.051 1.00 0.00 O ATOM 0 H SER B 1 -3.905 8.380 4.247 1.00 0.00 H new ATOM 0 HA SER B 1 -1.644 8.825 4.161 1.00 0.00 H new ATOM 0 HB2 SER B 1 -1.928 8.436 6.605 1.00 0.00 H new ATOM 0 HB3 SER B 1 -1.617 6.726 6.381 1.00 0.00 H new ATOM 0 HG SER B 1 0.449 7.539 5.286 1.00 0.00 H new ATOM 1494 N GLU B 2 -1.824 6.186 2.769 1.00 0.00 N ATOM 1495 CA GLU B 2 -1.209 5.172 1.874 1.00 0.00 C ATOM 1496 C GLU B 2 -0.374 5.887 0.814 1.00 0.00 C ATOM 1497 O GLU B 2 -0.169 5.391 -0.268 1.00 0.00 O ATOM 1498 CB GLU B 2 -2.322 4.359 1.207 1.00 0.00 C ATOM 1499 CG GLU B 2 -3.219 5.288 0.384 1.00 0.00 C ATOM 1500 CD GLU B 2 -4.399 4.491 -0.176 1.00 0.00 C ATOM 1501 OE1 GLU B 2 -4.368 3.276 -0.079 1.00 0.00 O ATOM 1502 OE2 GLU B 2 -5.316 5.111 -0.690 1.00 0.00 O ATOM 0 H GLU B 2 -2.817 6.353 2.604 1.00 0.00 H new ATOM 0 HA GLU B 2 -0.566 4.501 2.445 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -1.890 3.592 0.564 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -2.913 3.844 1.964 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -3.581 6.107 1.006 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -2.649 5.735 -0.430 1.00 0.00 H new ATOM 1509 N LEU B 3 0.093 7.061 1.106 1.00 0.00 N ATOM 1510 CA LEU B 3 0.897 7.796 0.094 1.00 0.00 C ATOM 1511 C LEU B 3 2.176 7.000 -0.209 1.00 0.00 C ATOM 1512 O LEU B 3 2.708 7.051 -1.296 1.00 0.00 O ATOM 1513 CB LEU B 3 1.245 9.201 0.642 1.00 0.00 C ATOM 1514 CG LEU B 3 1.208 10.248 -0.480 1.00 0.00 C ATOM 1515 CD1 LEU B 3 1.582 11.617 0.091 1.00 0.00 C ATOM 1516 CD2 LEU B 3 2.205 9.873 -1.574 1.00 0.00 C ATOM 0 H LEU B 3 -0.044 7.544 1.994 1.00 0.00 H new ATOM 0 HA LEU B 3 0.328 7.911 -0.829 1.00 0.00 H new ATOM 0 HB2 LEU B 3 0.539 9.476 1.426 1.00 0.00 H new ATOM 0 HB3 LEU B 3 2.235 9.184 1.097 1.00 0.00 H new ATOM 0 HG LEU B 3 0.204 10.284 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU B 3 1.556 12.362 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU B 3 0.871 11.893 0.870 1.00 0.00 H new ATOM 0 HD13 LEU B 3 2.585 11.573 0.515 1.00 0.00 H new ATOM 0 HD21 LEU B 3 2.173 10.620 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU B 3 3.210 9.833 -1.153 1.00 0.00 H new ATOM 0 HD23 LEU B 3 1.945 8.897 -1.984 1.00 0.00 H new ATOM 1528 N GLU B 4 2.675 6.281 0.754 1.00 0.00 N ATOM 1529 CA GLU B 4 3.929 5.489 0.538 1.00 0.00 C ATOM 1530 C GLU B 4 3.747 4.419 -0.539 1.00 0.00 C ATOM 1531 O GLU B 4 4.635 4.183 -1.333 1.00 0.00 O ATOM 1532 CB GLU B 4 4.329 4.819 1.857 1.00 0.00 C ATOM 1533 CG GLU B 4 5.581 3.959 1.650 1.00 0.00 C ATOM 1534 CD GLU B 4 6.106 3.484 3.008 1.00 0.00 C ATOM 1535 OE1 GLU B 4 5.717 4.065 4.007 1.00 0.00 O ATOM 1536 OE2 GLU B 4 6.880 2.541 3.026 1.00 0.00 O ATOM 0 H GLU B 4 2.271 6.203 1.688 1.00 0.00 H new ATOM 0 HA GLU B 4 4.709 6.172 0.201 1.00 0.00 H new ATOM 0 HB2 GLU B 4 4.520 5.577 2.616 1.00 0.00 H new ATOM 0 HB3 GLU B 4 3.510 4.201 2.223 1.00 0.00 H new ATOM 0 HG2 GLU B 4 5.346 3.102 1.019 1.00 0.00 H new ATOM 0 HG3 GLU B 4 6.349 4.534 1.133 1.00 0.00 H new ATOM 1543 N LYS B 5 2.629 3.753 -0.580 1.00 0.00 N ATOM 1544 CA LYS B 5 2.465 2.696 -1.620 1.00 0.00 C ATOM 1545 C LYS B 5 2.252 3.366 -2.972 1.00 0.00 C ATOM 1546 O LYS B 5 2.557 2.816 -4.007 1.00 0.00 O ATOM 1547 CB LYS B 5 1.282 1.764 -1.276 1.00 0.00 C ATOM 1548 CG LYS B 5 -0.062 2.392 -1.665 1.00 0.00 C ATOM 1549 CD LYS B 5 -1.198 1.469 -1.236 1.00 0.00 C ATOM 1550 CE LYS B 5 -2.505 1.995 -1.825 1.00 0.00 C ATOM 1551 NZ LYS B 5 -3.654 1.248 -1.239 1.00 0.00 N ATOM 0 H LYS B 5 1.835 3.888 0.046 1.00 0.00 H new ATOM 0 HA LYS B 5 3.364 2.080 -1.657 1.00 0.00 H new ATOM 0 HB2 LYS B 5 1.404 0.813 -1.795 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.287 1.547 -0.208 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -0.171 3.366 -1.189 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -0.100 2.557 -2.742 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -1.010 0.452 -1.582 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -1.262 1.429 -0.149 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -2.607 3.060 -1.617 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -2.499 1.881 -2.909 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -4.310 0.970 -1.997 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -3.304 0.397 -0.755 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -4.151 1.855 -0.556 1.00 0.00 H new ATOM 1565 N ALA B 6 1.699 4.544 -2.962 1.00 0.00 N ATOM 1566 CA ALA B 6 1.433 5.255 -4.237 1.00 0.00 C ATOM 1567 C ALA B 6 2.738 5.697 -4.893 1.00 0.00 C ATOM 1568 O ALA B 6 2.879 5.635 -6.094 1.00 0.00 O ATOM 1569 CB ALA B 6 0.545 6.469 -3.968 1.00 0.00 C ATOM 0 H ALA B 6 1.419 5.047 -2.120 1.00 0.00 H new ATOM 0 HA ALA B 6 0.923 4.574 -4.918 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.350 6.991 -4.904 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -0.398 6.140 -3.532 1.00 0.00 H new ATOM 0 HB3 ALA B 6 1.050 7.143 -3.275 1.00 0.00 H new ATOM 1575 N MET B 7 3.690 6.148 -4.131 1.00 0.00 N ATOM 1576 CA MET B 7 4.972 6.584 -4.750 1.00 0.00 C ATOM 1577 C MET B 7 5.701 5.367 -5.296 1.00 0.00 C ATOM 1578 O MET B 7 6.310 5.407 -6.347 1.00 0.00 O ATOM 1579 CB MET B 7 5.868 7.266 -3.712 1.00 0.00 C ATOM 1580 CG MET B 7 5.253 8.594 -3.266 1.00 0.00 C ATOM 1581 SD MET B 7 6.556 9.641 -2.564 1.00 0.00 S ATOM 1582 CE MET B 7 5.670 11.219 -2.636 1.00 0.00 C ATOM 0 H MET B 7 3.640 6.234 -3.116 1.00 0.00 H new ATOM 0 HA MET B 7 4.750 7.290 -5.550 1.00 0.00 H new ATOM 0 HB2 MET B 7 6.000 6.612 -2.850 1.00 0.00 H new ATOM 0 HB3 MET B 7 6.858 7.440 -4.135 1.00 0.00 H new ATOM 0 HG2 MET B 7 4.783 9.094 -4.113 1.00 0.00 H new ATOM 0 HG3 MET B 7 4.472 8.418 -2.526 1.00 0.00 H new ATOM 0 HE1 MET B 7 6.039 11.806 -3.477 1.00 0.00 H new ATOM 0 HE2 MET B 7 4.604 11.032 -2.764 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.833 11.770 -1.710 1.00 0.00 H new ATOM 1592 N VAL B 8 5.663 4.292 -4.574 1.00 0.00 N ATOM 1593 CA VAL B 8 6.377 3.068 -5.031 1.00 0.00 C ATOM 1594 C VAL B 8 5.740 2.520 -6.308 1.00 0.00 C ATOM 1595 O VAL B 8 6.415 1.990 -7.163 1.00 0.00 O ATOM 1596 CB VAL B 8 6.333 2.001 -3.940 1.00 0.00 C ATOM 1597 CG1 VAL B 8 7.022 0.734 -4.453 1.00 0.00 C ATOM 1598 CG2 VAL B 8 7.063 2.517 -2.697 1.00 0.00 C ATOM 0 H VAL B 8 5.170 4.203 -3.686 1.00 0.00 H new ATOM 0 HA VAL B 8 7.414 3.332 -5.240 1.00 0.00 H new ATOM 0 HB VAL B 8 5.298 1.776 -3.682 1.00 0.00 H new ATOM 0 HG11 VAL B 8 6.995 -0.033 -3.679 1.00 0.00 H new ATOM 0 HG12 VAL B 8 6.504 0.372 -5.341 1.00 0.00 H new ATOM 0 HG13 VAL B 8 8.058 0.960 -4.704 1.00 0.00 H new ATOM 0 HG21 VAL B 8 7.033 1.757 -1.916 1.00 0.00 H new ATOM 0 HG22 VAL B 8 8.100 2.738 -2.949 1.00 0.00 H new ATOM 0 HG23 VAL B 8 6.576 3.424 -2.339 1.00 0.00 H new ATOM 1608 N ALA B 9 4.446 2.620 -6.434 1.00 0.00 N ATOM 1609 CA ALA B 9 3.767 2.080 -7.652 1.00 0.00 C ATOM 1610 C ALA B 9 4.051 2.973 -8.854 1.00 0.00 C ATOM 1611 O ALA B 9 4.227 2.511 -9.963 1.00 0.00 O ATOM 1612 CB ALA B 9 2.262 2.027 -7.412 1.00 0.00 C ATOM 0 H ALA B 9 3.827 3.052 -5.748 1.00 0.00 H new ATOM 0 HA ALA B 9 4.147 1.079 -7.853 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.766 1.634 -8.299 1.00 0.00 H new ATOM 0 HB2 ALA B 9 2.052 1.379 -6.561 1.00 0.00 H new ATOM 0 HB3 ALA B 9 1.891 3.031 -7.204 1.00 0.00 H new ATOM 1618 N LEU B 10 4.076 4.250 -8.637 1.00 0.00 N ATOM 1619 CA LEU B 10 4.322 5.195 -9.751 1.00 0.00 C ATOM 1620 C LEU B 10 5.692 4.871 -10.360 1.00 0.00 C ATOM 1621 O LEU B 10 5.865 4.816 -11.566 1.00 0.00 O ATOM 1622 CB LEU B 10 4.304 6.617 -9.153 1.00 0.00 C ATOM 1623 CG LEU B 10 3.777 7.638 -10.168 1.00 0.00 C ATOM 1624 CD1 LEU B 10 4.603 7.553 -11.457 1.00 0.00 C ATOM 1625 CD2 LEU B 10 2.278 7.383 -10.469 1.00 0.00 C ATOM 0 H LEU B 10 3.935 4.685 -7.725 1.00 0.00 H new ATOM 0 HA LEU B 10 3.568 5.118 -10.534 1.00 0.00 H new ATOM 0 HB2 LEU B 10 3.678 6.631 -8.260 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.310 6.896 -8.841 1.00 0.00 H new ATOM 0 HG LEU B 10 3.873 8.639 -9.747 1.00 0.00 H new ATOM 0 HD11 LEU B 10 4.228 8.279 -12.178 1.00 0.00 H new ATOM 0 HD12 LEU B 10 5.648 7.769 -11.234 1.00 0.00 H new ATOM 0 HD13 LEU B 10 4.521 6.550 -11.876 1.00 0.00 H new ATOM 0 HD21 LEU B 10 1.922 8.118 -11.191 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.155 6.381 -10.880 1.00 0.00 H new ATOM 0 HD23 LEU B 10 1.702 7.471 -9.548 1.00 0.00 H new ATOM 1637 N ILE B 11 6.651 4.626 -9.521 1.00 0.00 N ATOM 1638 CA ILE B 11 8.013 4.273 -9.997 1.00 0.00 C ATOM 1639 C ILE B 11 8.011 2.871 -10.634 1.00 0.00 C ATOM 1640 O ILE B 11 8.750 2.605 -11.561 1.00 0.00 O ATOM 1641 CB ILE B 11 8.986 4.319 -8.809 1.00 0.00 C ATOM 1642 CG1 ILE B 11 9.210 5.782 -8.390 1.00 0.00 C ATOM 1643 CG2 ILE B 11 10.319 3.680 -9.198 1.00 0.00 C ATOM 1644 CD1 ILE B 11 9.978 5.849 -7.058 1.00 0.00 C ATOM 0 H ILE B 11 6.548 4.656 -8.507 1.00 0.00 H new ATOM 0 HA ILE B 11 8.330 4.989 -10.755 1.00 0.00 H new ATOM 0 HB ILE B 11 8.561 3.763 -7.974 1.00 0.00 H new ATOM 0 HG12 ILE B 11 9.768 6.307 -9.165 1.00 0.00 H new ATOM 0 HG13 ILE B 11 8.250 6.289 -8.289 1.00 0.00 H new ATOM 0 HG21 ILE B 11 11.002 3.718 -8.349 1.00 0.00 H new ATOM 0 HG22 ILE B 11 10.154 2.642 -9.486 1.00 0.00 H new ATOM 0 HG23 ILE B 11 10.753 4.225 -10.037 1.00 0.00 H new ATOM 0 HD11 ILE B 11 10.128 6.891 -6.776 1.00 0.00 H new ATOM 0 HD12 ILE B 11 9.405 5.342 -6.282 1.00 0.00 H new ATOM 0 HD13 ILE B 11 10.946 5.361 -7.171 1.00 0.00 H new ATOM 1656 N ASP B 12 7.221 1.962 -10.121 1.00 0.00 N ATOM 1657 CA ASP B 12 7.218 0.573 -10.678 1.00 0.00 C ATOM 1658 C ASP B 12 6.826 0.558 -12.162 1.00 0.00 C ATOM 1659 O ASP B 12 7.462 -0.092 -12.964 1.00 0.00 O ATOM 1660 CB ASP B 12 6.229 -0.285 -9.887 1.00 0.00 C ATOM 1661 CG ASP B 12 6.794 -0.569 -8.493 1.00 0.00 C ATOM 1662 OD1 ASP B 12 7.977 -0.345 -8.296 1.00 0.00 O ATOM 1663 OD2 ASP B 12 6.033 -1.007 -7.646 1.00 0.00 O ATOM 0 H ASP B 12 6.580 2.120 -9.343 1.00 0.00 H new ATOM 0 HA ASP B 12 8.228 0.172 -10.591 1.00 0.00 H new ATOM 0 HB2 ASP B 12 5.271 0.229 -9.804 1.00 0.00 H new ATOM 0 HB3 ASP B 12 6.043 -1.222 -10.413 1.00 0.00 H new ATOM 1668 N VAL B 13 5.793 1.257 -12.540 1.00 0.00 N ATOM 1669 CA VAL B 13 5.390 1.251 -13.984 1.00 0.00 C ATOM 1670 C VAL B 13 6.525 1.861 -14.821 1.00 0.00 C ATOM 1671 O VAL B 13 6.834 1.404 -15.913 1.00 0.00 O ATOM 1672 CB VAL B 13 4.048 2.034 -14.157 1.00 0.00 C ATOM 1673 CG1 VAL B 13 4.190 3.215 -15.130 1.00 0.00 C ATOM 1674 CG2 VAL B 13 2.957 1.103 -14.705 1.00 0.00 C ATOM 0 H VAL B 13 5.213 1.827 -11.925 1.00 0.00 H new ATOM 0 HA VAL B 13 5.222 0.232 -14.332 1.00 0.00 H new ATOM 0 HB VAL B 13 3.779 2.414 -13.171 1.00 0.00 H new ATOM 0 HG11 VAL B 13 3.233 3.730 -15.219 1.00 0.00 H new ATOM 0 HG12 VAL B 13 4.942 3.909 -14.753 1.00 0.00 H new ATOM 0 HG13 VAL B 13 4.496 2.845 -16.109 1.00 0.00 H new ATOM 0 HG21 VAL B 13 2.028 1.660 -14.821 1.00 0.00 H new ATOM 0 HG22 VAL B 13 3.267 0.709 -15.673 1.00 0.00 H new ATOM 0 HG23 VAL B 13 2.801 0.277 -14.011 1.00 0.00 H new ATOM 1684 N PHE B 14 7.137 2.895 -14.324 1.00 0.00 N ATOM 1685 CA PHE B 14 8.230 3.540 -15.094 1.00 0.00 C ATOM 1686 C PHE B 14 9.330 2.521 -15.396 1.00 0.00 C ATOM 1687 O PHE B 14 9.924 2.553 -16.443 1.00 0.00 O ATOM 1688 CB PHE B 14 8.820 4.706 -14.287 1.00 0.00 C ATOM 1689 CG PHE B 14 10.068 5.214 -14.976 1.00 0.00 C ATOM 1690 CD1 PHE B 14 11.297 4.588 -14.734 1.00 0.00 C ATOM 1691 CD2 PHE B 14 9.995 6.289 -15.866 1.00 0.00 C ATOM 1692 CE1 PHE B 14 12.453 5.039 -15.381 1.00 0.00 C ATOM 1693 CE2 PHE B 14 11.148 6.739 -16.515 1.00 0.00 C ATOM 1694 CZ PHE B 14 12.379 6.112 -16.274 1.00 0.00 C ATOM 0 H PHE B 14 6.928 3.320 -13.421 1.00 0.00 H new ATOM 0 HA PHE B 14 7.823 3.918 -16.032 1.00 0.00 H new ATOM 0 HB2 PHE B 14 8.088 5.509 -14.199 1.00 0.00 H new ATOM 0 HB3 PHE B 14 9.058 4.379 -13.275 1.00 0.00 H new ATOM 0 HD1 PHE B 14 11.353 3.756 -14.047 1.00 0.00 H new ATOM 0 HD2 PHE B 14 9.047 6.772 -16.052 1.00 0.00 H new ATOM 0 HE1 PHE B 14 13.401 4.559 -15.191 1.00 0.00 H new ATOM 0 HE2 PHE B 14 11.091 7.570 -17.202 1.00 0.00 H new ATOM 0 HZ PHE B 14 13.269 6.458 -16.778 1.00 0.00 H new ATOM 1704 N HIS B 15 9.632 1.642 -14.488 1.00 0.00 N ATOM 1705 CA HIS B 15 10.720 0.658 -14.755 1.00 0.00 C ATOM 1706 C HIS B 15 10.317 -0.308 -15.873 1.00 0.00 C ATOM 1707 O HIS B 15 11.157 -0.824 -16.585 1.00 0.00 O ATOM 1708 CB HIS B 15 11.027 -0.128 -13.476 1.00 0.00 C ATOM 1709 CG HIS B 15 12.227 -1.012 -13.695 1.00 0.00 C ATOM 1710 ND1 HIS B 15 12.113 -2.317 -14.154 1.00 0.00 N ATOM 1711 CD2 HIS B 15 13.573 -0.797 -13.510 1.00 0.00 C ATOM 1712 CE1 HIS B 15 13.355 -2.833 -14.227 1.00 0.00 C ATOM 1713 NE2 HIS B 15 14.278 -1.947 -13.847 1.00 0.00 N ATOM 0 H HIS B 15 9.179 1.559 -13.578 1.00 0.00 H new ATOM 0 HA HIS B 15 11.610 1.201 -15.074 1.00 0.00 H new ATOM 0 HB2 HIS B 15 11.216 0.560 -12.652 1.00 0.00 H new ATOM 0 HB3 HIS B 15 10.165 -0.733 -13.194 1.00 0.00 H new ATOM 0 HD2 HIS B 15 14.014 0.123 -13.157 1.00 0.00 H new ATOM 0 HE1 HIS B 15 13.576 -3.839 -14.553 1.00 0.00 H new ATOM 0 HE2 HIS B 15 15.288 -2.085 -13.811 1.00 0.00 H new ATOM 1722 N GLN B 16 9.053 -0.577 -16.031 1.00 0.00 N ATOM 1723 CA GLN B 16 8.632 -1.525 -17.098 1.00 0.00 C ATOM 1724 C GLN B 16 9.065 -1.009 -18.476 1.00 0.00 C ATOM 1725 O GLN B 16 9.509 -1.769 -19.315 1.00 0.00 O ATOM 1726 CB GLN B 16 7.103 -1.692 -17.058 1.00 0.00 C ATOM 1727 CG GLN B 16 6.701 -2.692 -15.963 1.00 0.00 C ATOM 1728 CD GLN B 16 7.053 -2.151 -14.575 1.00 0.00 C ATOM 1729 OE1 GLN B 16 8.204 -1.912 -14.272 1.00 0.00 O ATOM 1730 NE2 GLN B 16 6.100 -1.970 -13.703 1.00 0.00 N ATOM 0 H GLN B 16 8.296 -0.184 -15.471 1.00 0.00 H new ATOM 0 HA GLN B 16 9.110 -2.489 -16.925 1.00 0.00 H new ATOM 0 HB2 GLN B 16 6.630 -0.728 -16.870 1.00 0.00 H new ATOM 0 HB3 GLN B 16 6.743 -2.040 -18.026 1.00 0.00 H new ATOM 0 HG2 GLN B 16 5.631 -2.890 -16.020 1.00 0.00 H new ATOM 0 HG3 GLN B 16 7.210 -3.642 -16.128 1.00 0.00 H new ATOM 0 HE21 GLN B 16 5.132 -2.170 -13.956 1.00 0.00 H new ATOM 0 HE22 GLN B 16 6.322 -1.628 -12.768 1.00 0.00 H new ATOM 1739 N TYR B 17 8.918 0.264 -18.735 1.00 0.00 N ATOM 1740 CA TYR B 17 9.303 0.797 -20.088 1.00 0.00 C ATOM 1741 C TYR B 17 10.762 1.262 -20.138 1.00 0.00 C ATOM 1742 O TYR B 17 11.441 1.078 -21.126 1.00 0.00 O ATOM 1743 CB TYR B 17 8.385 1.973 -20.431 1.00 0.00 C ATOM 1744 CG TYR B 17 7.049 1.423 -20.844 1.00 0.00 C ATOM 1745 CD1 TYR B 17 6.171 0.944 -19.872 1.00 0.00 C ATOM 1746 CD2 TYR B 17 6.702 1.370 -22.196 1.00 0.00 C ATOM 1747 CE1 TYR B 17 4.943 0.406 -20.249 1.00 0.00 C ATOM 1748 CE2 TYR B 17 5.471 0.837 -22.578 1.00 0.00 C ATOM 1749 CZ TYR B 17 4.590 0.352 -21.605 1.00 0.00 C ATOM 1750 OH TYR B 17 3.375 -0.182 -21.980 1.00 0.00 O ATOM 0 H TYR B 17 8.553 0.956 -18.080 1.00 0.00 H new ATOM 0 HA TYR B 17 9.194 -0.011 -20.812 1.00 0.00 H new ATOM 0 HB2 TYR B 17 8.275 2.632 -19.570 1.00 0.00 H new ATOM 0 HB3 TYR B 17 8.816 2.569 -21.236 1.00 0.00 H new ATOM 0 HD1 TYR B 17 6.443 0.990 -18.828 1.00 0.00 H new ATOM 0 HD2 TYR B 17 7.386 1.741 -22.945 1.00 0.00 H new ATOM 0 HE1 TYR B 17 4.264 0.031 -19.498 1.00 0.00 H new ATOM 0 HE2 TYR B 17 5.198 0.799 -23.622 1.00 0.00 H new ATOM 0 HH TYR B 17 2.993 -0.685 -21.231 1.00 0.00 H new ATOM 1760 N SER B 18 11.241 1.896 -19.116 1.00 0.00 N ATOM 1761 CA SER B 18 12.644 2.398 -19.159 1.00 0.00 C ATOM 1762 C SER B 18 13.619 1.239 -19.350 1.00 0.00 C ATOM 1763 O SER B 18 14.569 1.337 -20.100 1.00 0.00 O ATOM 1764 CB SER B 18 12.964 3.126 -17.858 1.00 0.00 C ATOM 1765 OG SER B 18 13.251 2.174 -16.843 1.00 0.00 O ATOM 0 H SER B 18 10.731 2.091 -18.254 1.00 0.00 H new ATOM 0 HA SER B 18 12.747 3.085 -19.999 1.00 0.00 H new ATOM 0 HB2 SER B 18 13.816 3.790 -18.000 1.00 0.00 H new ATOM 0 HB3 SER B 18 12.121 3.749 -17.560 1.00 0.00 H new ATOM 0 HG SER B 18 13.146 2.592 -15.963 1.00 0.00 H new ATOM 1771 N GLY B 19 13.394 0.142 -18.687 1.00 0.00 N ATOM 1772 CA GLY B 19 14.317 -1.016 -18.838 1.00 0.00 C ATOM 1773 C GLY B 19 14.069 -1.695 -20.183 1.00 0.00 C ATOM 1774 O GLY B 19 14.828 -2.544 -20.609 1.00 0.00 O ATOM 0 H GLY B 19 12.613 -0.004 -18.048 1.00 0.00 H new ATOM 0 HA2 GLY B 19 15.352 -0.680 -18.774 1.00 0.00 H new ATOM 0 HA3 GLY B 19 14.162 -1.726 -18.026 1.00 0.00 H new ATOM 1778 N ARG B 20 13.016 -1.329 -20.861 1.00 0.00 N ATOM 1779 CA ARG B 20 12.730 -1.957 -22.179 1.00 0.00 C ATOM 1780 C ARG B 20 13.888 -1.679 -23.139 1.00 0.00 C ATOM 1781 O ARG B 20 14.365 -2.562 -23.824 1.00 0.00 O ATOM 1782 CB ARG B 20 11.452 -1.359 -22.755 1.00 0.00 C ATOM 1783 CG ARG B 20 11.068 -2.104 -24.030 1.00 0.00 C ATOM 1784 CD ARG B 20 9.799 -1.480 -24.596 1.00 0.00 C ATOM 1785 NE ARG B 20 9.404 -2.194 -25.842 1.00 0.00 N ATOM 1786 CZ ARG B 20 8.212 -2.020 -26.342 1.00 0.00 C ATOM 1787 NH1 ARG B 20 7.362 -1.230 -25.744 1.00 0.00 N ATOM 1788 NH2 ARG B 20 7.868 -2.640 -27.438 1.00 0.00 N ATOM 0 H ARG B 20 12.344 -0.624 -20.559 1.00 0.00 H new ATOM 0 HA ARG B 20 12.610 -3.033 -22.050 1.00 0.00 H new ATOM 0 HB2 ARG B 20 10.645 -1.427 -22.025 1.00 0.00 H new ATOM 0 HB3 ARG B 20 11.599 -0.301 -22.970 1.00 0.00 H new ATOM 0 HG2 ARG B 20 11.876 -2.046 -24.760 1.00 0.00 H new ATOM 0 HG3 ARG B 20 10.907 -3.161 -23.816 1.00 0.00 H new ATOM 0 HD2 ARG B 20 8.995 -1.537 -23.862 1.00 0.00 H new ATOM 0 HD3 ARG B 20 9.964 -0.423 -24.807 1.00 0.00 H new ATOM 0 HE ARG B 20 10.065 -2.819 -26.304 1.00 0.00 H new ATOM 0 HH11 ARG B 20 7.630 -0.749 -24.886 1.00 0.00 H new ATOM 0 HH12 ARG B 20 6.430 -1.094 -26.135 1.00 0.00 H new ATOM 0 HH21 ARG B 20 8.531 -3.260 -27.903 1.00 0.00 H new ATOM 0 HH22 ARG B 20 6.936 -2.504 -27.830 1.00 0.00 H new ATOM 1802 N GLU B 21 14.332 -0.445 -23.196 1.00 0.00 N ATOM 1803 CA GLU B 21 15.456 -0.067 -24.115 1.00 0.00 C ATOM 1804 C GLU B 21 16.676 0.372 -23.302 1.00 0.00 C ATOM 1805 O GLU B 21 16.630 0.486 -22.093 1.00 0.00 O ATOM 1806 CB GLU B 21 15.013 1.077 -25.031 1.00 0.00 C ATOM 1807 CG GLU B 21 13.980 0.555 -26.032 1.00 0.00 C ATOM 1808 CD GLU B 21 13.533 1.695 -26.950 1.00 0.00 C ATOM 1809 OE1 GLU B 21 14.113 2.764 -26.859 1.00 0.00 O ATOM 1810 OE2 GLU B 21 12.617 1.479 -27.727 1.00 0.00 O ATOM 0 H GLU B 21 13.960 0.325 -22.640 1.00 0.00 H new ATOM 0 HA GLU B 21 15.723 -0.934 -24.719 1.00 0.00 H new ATOM 0 HB2 GLU B 21 14.586 1.887 -24.439 1.00 0.00 H new ATOM 0 HB3 GLU B 21 15.873 1.488 -25.560 1.00 0.00 H new ATOM 0 HG2 GLU B 21 14.408 -0.255 -26.623 1.00 0.00 H new ATOM 0 HG3 GLU B 21 13.121 0.143 -25.502 1.00 0.00 H new ATOM 1817 N GLY B 22 17.777 0.585 -23.968 1.00 0.00 N ATOM 1818 CA GLY B 22 19.034 0.980 -23.269 1.00 0.00 C ATOM 1819 C GLY B 22 18.840 2.230 -22.400 1.00 0.00 C ATOM 1820 O GLY B 22 19.482 2.372 -21.379 1.00 0.00 O ATOM 0 H GLY B 22 17.861 0.501 -24.981 1.00 0.00 H new ATOM 0 HA2 GLY B 22 19.377 0.154 -22.645 1.00 0.00 H new ATOM 0 HA3 GLY B 22 19.815 1.168 -24.006 1.00 0.00 H new ATOM 1824 N ASP B 23 17.992 3.152 -22.781 1.00 0.00 N ATOM 1825 CA ASP B 23 17.832 4.372 -21.942 1.00 0.00 C ATOM 1826 C ASP B 23 17.127 4.012 -20.629 1.00 0.00 C ATOM 1827 O ASP B 23 16.045 4.479 -20.344 1.00 0.00 O ATOM 1828 CB ASP B 23 17.013 5.411 -22.708 1.00 0.00 C ATOM 1829 CG ASP B 23 17.542 5.527 -24.139 1.00 0.00 C ATOM 1830 OD1 ASP B 23 18.690 5.175 -24.355 1.00 0.00 O ATOM 1831 OD2 ASP B 23 16.791 5.968 -24.992 1.00 0.00 O ATOM 0 H ASP B 23 17.415 3.113 -23.621 1.00 0.00 H new ATOM 0 HA ASP B 23 18.814 4.786 -21.712 1.00 0.00 H new ATOM 0 HB2 ASP B 23 15.962 5.123 -22.720 1.00 0.00 H new ATOM 0 HB3 ASP B 23 17.073 6.377 -22.208 1.00 0.00 H new ATOM 1836 N LYS B 24 17.737 3.182 -19.827 1.00 0.00 N ATOM 1837 CA LYS B 24 17.109 2.789 -18.531 1.00 0.00 C ATOM 1838 C LYS B 24 16.920 4.018 -17.636 1.00 0.00 C ATOM 1839 O LYS B 24 15.926 4.148 -16.950 1.00 0.00 O ATOM 1840 CB LYS B 24 18.021 1.793 -17.812 1.00 0.00 C ATOM 1841 CG LYS B 24 17.385 1.384 -16.480 1.00 0.00 C ATOM 1842 CD LYS B 24 18.177 0.229 -15.857 1.00 0.00 C ATOM 1843 CE LYS B 24 19.582 0.708 -15.474 1.00 0.00 C ATOM 1844 NZ LYS B 24 20.194 -0.259 -14.521 1.00 0.00 N ATOM 0 H LYS B 24 18.646 2.758 -20.013 1.00 0.00 H new ATOM 0 HA LYS B 24 16.137 2.338 -18.733 1.00 0.00 H new ATOM 0 HB2 LYS B 24 18.180 0.914 -18.436 1.00 0.00 H new ATOM 0 HB3 LYS B 24 18.999 2.241 -17.637 1.00 0.00 H new ATOM 0 HG2 LYS B 24 17.369 2.235 -15.798 1.00 0.00 H new ATOM 0 HG3 LYS B 24 16.350 1.083 -16.639 1.00 0.00 H new ATOM 0 HD2 LYS B 24 17.658 -0.146 -14.975 1.00 0.00 H new ATOM 0 HD3 LYS B 24 18.245 -0.599 -16.562 1.00 0.00 H new ATOM 0 HE2 LYS B 24 20.203 0.798 -16.366 1.00 0.00 H new ATOM 0 HE3 LYS B 24 19.529 1.698 -15.021 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 21.147 0.066 -14.261 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 19.605 -0.324 -13.666 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 20.258 -1.195 -14.969 1.00 0.00 H new ATOM 1858 N HIS B 25 17.878 4.909 -17.616 1.00 0.00 N ATOM 1859 CA HIS B 25 17.769 6.117 -16.738 1.00 0.00 C ATOM 1860 C HIS B 25 17.195 7.307 -17.517 1.00 0.00 C ATOM 1861 O HIS B 25 17.033 8.382 -16.975 1.00 0.00 O ATOM 1862 CB HIS B 25 19.155 6.471 -16.187 1.00 0.00 C ATOM 1863 CG HIS B 25 20.158 6.541 -17.307 1.00 0.00 C ATOM 1864 ND1 HIS B 25 20.688 5.578 -18.132 1.00 0.00 N flip ATOM 1865 CD2 HIS B 25 20.755 7.735 -17.687 1.00 0.00 C flip ATOM 1866 CE1 HIS B 25 21.595 6.165 -19.007 1.00 0.00 C flip ATOM 1867 NE2 HIS B 25 21.600 7.463 -18.699 1.00 0.00 N flip ATOM 0 H HIS B 25 18.733 4.854 -18.170 1.00 0.00 H new ATOM 0 HA HIS B 25 17.093 5.892 -15.913 1.00 0.00 H new ATOM 0 HB2 HIS B 25 19.114 7.428 -15.666 1.00 0.00 H new ATOM 0 HB3 HIS B 25 19.466 5.724 -15.457 1.00 0.00 H new ATOM 0 HD2 HIS B 25 20.574 8.706 -17.250 1.00 0.00 H new ATOM 0 HE1 HIS B 25 22.174 5.673 -19.775 1.00 0.00 H new ATOM 0 HE2 HIS B 25 22.173 8.162 -19.172 1.00 0.00 H new ATOM 1876 N LYS B 26 16.882 7.133 -18.778 1.00 0.00 N ATOM 1877 CA LYS B 26 16.312 8.270 -19.576 1.00 0.00 C ATOM 1878 C LYS B 26 15.223 7.748 -20.520 1.00 0.00 C ATOM 1879 O LYS B 26 15.220 6.598 -20.902 1.00 0.00 O ATOM 1880 CB LYS B 26 17.419 8.929 -20.402 1.00 0.00 C ATOM 1881 CG LYS B 26 18.462 9.545 -19.469 1.00 0.00 C ATOM 1882 CD LYS B 26 19.419 10.425 -20.279 1.00 0.00 C ATOM 1883 CE LYS B 26 20.208 9.568 -21.274 1.00 0.00 C ATOM 1884 NZ LYS B 26 21.408 10.322 -21.735 1.00 0.00 N ATOM 0 H LYS B 26 16.995 6.258 -19.290 1.00 0.00 H new ATOM 0 HA LYS B 26 15.882 9.001 -18.892 1.00 0.00 H new ATOM 0 HB2 LYS B 26 17.889 8.191 -21.052 1.00 0.00 H new ATOM 0 HB3 LYS B 26 16.995 9.698 -21.048 1.00 0.00 H new ATOM 0 HG2 LYS B 26 17.970 10.139 -18.698 1.00 0.00 H new ATOM 0 HG3 LYS B 26 19.018 8.759 -18.959 1.00 0.00 H new ATOM 0 HD2 LYS B 26 18.857 11.191 -20.813 1.00 0.00 H new ATOM 0 HD3 LYS B 26 20.105 10.942 -19.609 1.00 0.00 H new ATOM 0 HE2 LYS B 26 20.511 8.632 -20.804 1.00 0.00 H new ATOM 0 HE3 LYS B 26 19.579 9.308 -22.125 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 21.945 9.741 -22.411 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 21.107 11.203 -22.198 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 22.011 10.548 -20.918 1.00 0.00 H new ATOM 1898 N LEU B 27 14.302 8.598 -20.899 1.00 0.00 N ATOM 1899 CA LEU B 27 13.195 8.186 -21.826 1.00 0.00 C ATOM 1900 C LEU B 27 13.279 9.019 -23.108 1.00 0.00 C ATOM 1901 O LEU B 27 13.385 10.225 -23.066 1.00 0.00 O ATOM 1902 CB LEU B 27 11.831 8.443 -21.138 1.00 0.00 C ATOM 1903 CG LEU B 27 11.296 7.177 -20.443 1.00 0.00 C ATOM 1904 CD1 LEU B 27 10.936 6.094 -21.476 1.00 0.00 C ATOM 1905 CD2 LEU B 27 12.340 6.640 -19.462 1.00 0.00 C ATOM 0 H LEU B 27 14.267 9.574 -20.603 1.00 0.00 H new ATOM 0 HA LEU B 27 13.290 7.127 -22.067 1.00 0.00 H new ATOM 0 HB2 LEU B 27 11.938 9.243 -20.405 1.00 0.00 H new ATOM 0 HB3 LEU B 27 11.108 8.784 -21.879 1.00 0.00 H new ATOM 0 HG LEU B 27 10.391 7.441 -19.896 1.00 0.00 H new ATOM 0 HD11 LEU B 27 10.561 5.210 -20.961 1.00 0.00 H new ATOM 0 HD12 LEU B 27 10.168 6.475 -22.150 1.00 0.00 H new ATOM 0 HD13 LEU B 27 11.824 5.829 -22.050 1.00 0.00 H new ATOM 0 HD21 LEU B 27 11.954 5.745 -18.974 1.00 0.00 H new ATOM 0 HD22 LEU B 27 13.254 6.394 -20.002 1.00 0.00 H new ATOM 0 HD23 LEU B 27 12.556 7.398 -18.710 1.00 0.00 H new ATOM 1917 N LYS B 28 13.212 8.385 -24.250 1.00 0.00 N ATOM 1918 CA LYS B 28 13.261 9.138 -25.533 1.00 0.00 C ATOM 1919 C LYS B 28 11.827 9.327 -26.030 1.00 0.00 C ATOM 1920 O LYS B 28 10.979 8.486 -25.803 1.00 0.00 O ATOM 1921 CB LYS B 28 14.064 8.324 -26.552 1.00 0.00 C ATOM 1922 CG LYS B 28 14.165 9.087 -27.874 1.00 0.00 C ATOM 1923 CD LYS B 28 15.000 8.271 -28.862 1.00 0.00 C ATOM 1924 CE LYS B 28 15.115 9.030 -30.184 1.00 0.00 C ATOM 1925 NZ LYS B 28 15.926 10.264 -29.979 1.00 0.00 N ATOM 0 H LYS B 28 13.125 7.373 -24.347 1.00 0.00 H new ATOM 0 HA LYS B 28 13.736 10.110 -25.397 1.00 0.00 H new ATOM 0 HB2 LYS B 28 15.062 8.123 -26.163 1.00 0.00 H new ATOM 0 HB3 LYS B 28 13.585 7.359 -26.716 1.00 0.00 H new ATOM 0 HG2 LYS B 28 13.170 9.266 -28.281 1.00 0.00 H new ATOM 0 HG3 LYS B 28 14.623 10.062 -27.711 1.00 0.00 H new ATOM 0 HD2 LYS B 28 15.992 8.086 -28.450 1.00 0.00 H new ATOM 0 HD3 LYS B 28 14.537 7.298 -29.028 1.00 0.00 H new ATOM 0 HE2 LYS B 28 15.581 8.397 -30.940 1.00 0.00 H new ATOM 0 HE3 LYS B 28 14.123 9.291 -30.553 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 16.276 10.606 -30.897 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 15.336 10.998 -29.538 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 16.733 10.050 -29.359 1.00 0.00 H new ATOM 1939 N LYS B 29 11.539 10.420 -26.695 1.00 0.00 N ATOM 1940 CA LYS B 29 10.146 10.648 -27.195 1.00 0.00 C ATOM 1941 C LYS B 29 9.620 9.357 -27.812 1.00 0.00 C ATOM 1942 O LYS B 29 8.430 9.124 -27.898 1.00 0.00 O ATOM 1943 CB LYS B 29 10.153 11.753 -28.264 1.00 0.00 C ATOM 1944 CG LYS B 29 10.834 11.267 -29.552 1.00 0.00 C ATOM 1945 CD LYS B 29 10.954 12.434 -30.534 1.00 0.00 C ATOM 1946 CE LYS B 29 11.479 11.917 -31.876 1.00 0.00 C ATOM 1947 NZ LYS B 29 11.414 13.006 -32.891 1.00 0.00 N ATOM 0 H LYS B 29 12.205 11.161 -26.913 1.00 0.00 H new ATOM 0 HA LYS B 29 9.507 10.952 -26.365 1.00 0.00 H new ATOM 0 HB2 LYS B 29 9.130 12.059 -28.482 1.00 0.00 H new ATOM 0 HB3 LYS B 29 10.674 12.631 -27.882 1.00 0.00 H new ATOM 0 HG2 LYS B 29 11.821 10.865 -29.325 1.00 0.00 H new ATOM 0 HG3 LYS B 29 10.256 10.459 -30.000 1.00 0.00 H new ATOM 0 HD2 LYS B 29 9.983 12.911 -30.670 1.00 0.00 H new ATOM 0 HD3 LYS B 29 11.628 13.192 -30.135 1.00 0.00 H new ATOM 0 HE2 LYS B 29 12.506 11.569 -31.766 1.00 0.00 H new ATOM 0 HE3 LYS B 29 10.887 11.063 -32.205 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 11.771 12.653 -33.802 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 10.428 13.318 -33.003 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 11.997 13.808 -32.578 1.00 0.00 H new ATOM 1961 N SER B 30 10.516 8.521 -28.240 1.00 0.00 N ATOM 1962 CA SER B 30 10.099 7.230 -28.857 1.00 0.00 C ATOM 1963 C SER B 30 9.685 6.266 -27.749 1.00 0.00 C ATOM 1964 O SER B 30 8.618 5.686 -27.774 1.00 0.00 O ATOM 1965 CB SER B 30 11.268 6.642 -29.645 1.00 0.00 C ATOM 1966 OG SER B 30 10.824 5.497 -30.359 1.00 0.00 O ATOM 0 H SER B 30 11.523 8.673 -28.191 1.00 0.00 H new ATOM 0 HA SER B 30 9.260 7.393 -29.534 1.00 0.00 H new ATOM 0 HB2 SER B 30 11.665 7.385 -30.337 1.00 0.00 H new ATOM 0 HB3 SER B 30 12.078 6.371 -28.968 1.00 0.00 H new ATOM 0 HG SER B 30 11.571 5.118 -30.867 1.00 0.00 H new ATOM 1972 N GLU B 31 10.521 6.114 -26.761 1.00 0.00 N ATOM 1973 CA GLU B 31 10.187 5.215 -25.626 1.00 0.00 C ATOM 1974 C GLU B 31 8.968 5.789 -24.911 1.00 0.00 C ATOM 1975 O GLU B 31 8.108 5.072 -24.441 1.00 0.00 O ATOM 1976 CB GLU B 31 11.364 5.157 -24.651 1.00 0.00 C ATOM 1977 CG GLU B 31 12.526 4.398 -25.289 1.00 0.00 C ATOM 1978 CD GLU B 31 13.770 4.559 -24.415 1.00 0.00 C ATOM 1979 OE1 GLU B 31 13.636 5.081 -23.319 1.00 0.00 O ATOM 1980 OE2 GLU B 31 14.837 4.166 -24.857 1.00 0.00 O ATOM 0 H GLU B 31 11.427 6.578 -26.692 1.00 0.00 H new ATOM 0 HA GLU B 31 9.979 4.209 -25.991 1.00 0.00 H new ATOM 0 HB2 GLU B 31 11.679 6.166 -24.386 1.00 0.00 H new ATOM 0 HB3 GLU B 31 11.059 4.665 -23.727 1.00 0.00 H new ATOM 0 HG2 GLU B 31 12.274 3.343 -25.393 1.00 0.00 H new ATOM 0 HG3 GLU B 31 12.719 4.780 -26.292 1.00 0.00 H new ATOM 1987 N LEU B 32 8.899 7.091 -24.824 1.00 0.00 N ATOM 1988 CA LEU B 32 7.749 7.739 -24.137 1.00 0.00 C ATOM 1989 C LEU B 32 6.455 7.354 -24.842 1.00 0.00 C ATOM 1990 O LEU B 32 5.458 7.099 -24.213 1.00 0.00 O ATOM 1991 CB LEU B 32 7.924 9.264 -24.188 1.00 0.00 C ATOM 1992 CG LEU B 32 6.740 9.966 -23.501 1.00 0.00 C ATOM 1993 CD1 LEU B 32 6.647 9.532 -22.030 1.00 0.00 C ATOM 1994 CD2 LEU B 32 6.947 11.483 -23.581 1.00 0.00 C ATOM 0 H LEU B 32 9.594 7.735 -25.202 1.00 0.00 H new ATOM 0 HA LEU B 32 7.709 7.409 -23.099 1.00 0.00 H new ATOM 0 HB2 LEU B 32 8.856 9.546 -23.697 1.00 0.00 H new ATOM 0 HB3 LEU B 32 7.998 9.593 -25.225 1.00 0.00 H new ATOM 0 HG LEU B 32 5.813 9.691 -24.004 1.00 0.00 H new ATOM 0 HD11 LEU B 32 5.805 10.036 -21.555 1.00 0.00 H new ATOM 0 HD12 LEU B 32 6.501 8.453 -21.977 1.00 0.00 H new ATOM 0 HD13 LEU B 32 7.569 9.799 -21.513 1.00 0.00 H new ATOM 0 HD21 LEU B 32 6.113 11.990 -23.097 1.00 0.00 H new ATOM 0 HD22 LEU B 32 7.876 11.751 -23.077 1.00 0.00 H new ATOM 0 HD23 LEU B 32 7.000 11.788 -24.626 1.00 0.00 H new ATOM 2006 N LYS B 33 6.463 7.306 -26.140 1.00 0.00 N ATOM 2007 CA LYS B 33 5.221 6.929 -26.876 1.00 0.00 C ATOM 2008 C LYS B 33 4.781 5.523 -26.462 1.00 0.00 C ATOM 2009 O LYS B 33 3.608 5.247 -26.316 1.00 0.00 O ATOM 2010 CB LYS B 33 5.492 6.943 -28.383 1.00 0.00 C ATOM 2011 CG LYS B 33 4.195 6.636 -29.139 1.00 0.00 C ATOM 2012 CD LYS B 33 4.462 6.649 -30.644 1.00 0.00 C ATOM 2013 CE LYS B 33 3.156 6.375 -31.392 1.00 0.00 C ATOM 2014 NZ LYS B 33 2.658 5.016 -31.037 1.00 0.00 N ATOM 0 H LYS B 33 7.272 7.510 -26.727 1.00 0.00 H new ATOM 0 HA LYS B 33 4.435 7.645 -26.636 1.00 0.00 H new ATOM 0 HB2 LYS B 33 5.879 7.916 -28.684 1.00 0.00 H new ATOM 0 HB3 LYS B 33 6.254 6.205 -28.633 1.00 0.00 H new ATOM 0 HG2 LYS B 33 3.808 5.663 -28.837 1.00 0.00 H new ATOM 0 HG3 LYS B 33 3.433 7.374 -28.888 1.00 0.00 H new ATOM 0 HD2 LYS B 33 4.871 7.614 -30.944 1.00 0.00 H new ATOM 0 HD3 LYS B 33 5.206 5.894 -30.899 1.00 0.00 H new ATOM 0 HE2 LYS B 33 2.411 7.127 -31.132 1.00 0.00 H new ATOM 0 HE3 LYS B 33 3.318 6.445 -32.468 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 1.977 4.697 -31.756 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 3.458 4.352 -30.999 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 2.191 5.049 -30.108 1.00 0.00 H new ATOM 2028 N GLU B 34 5.710 4.626 -26.296 1.00 0.00 N ATOM 2029 CA GLU B 34 5.342 3.237 -25.919 1.00 0.00 C ATOM 2030 C GLU B 34 4.681 3.247 -24.542 1.00 0.00 C ATOM 2031 O GLU B 34 3.714 2.565 -24.296 1.00 0.00 O ATOM 2032 CB GLU B 34 6.612 2.381 -25.896 1.00 0.00 C ATOM 2033 CG GLU B 34 7.157 2.246 -27.320 1.00 0.00 C ATOM 2034 CD GLU B 34 8.425 1.392 -27.305 1.00 0.00 C ATOM 2035 OE1 GLU B 34 8.898 1.090 -26.223 1.00 0.00 O ATOM 2036 OE2 GLU B 34 8.904 1.057 -28.376 1.00 0.00 O ATOM 0 H GLU B 34 6.710 4.796 -26.406 1.00 0.00 H new ATOM 0 HA GLU B 34 4.640 2.820 -26.641 1.00 0.00 H new ATOM 0 HB2 GLU B 34 7.361 2.838 -25.250 1.00 0.00 H new ATOM 0 HB3 GLU B 34 6.393 1.396 -25.483 1.00 0.00 H new ATOM 0 HG2 GLU B 34 6.407 1.790 -27.966 1.00 0.00 H new ATOM 0 HG3 GLU B 34 7.375 3.231 -27.732 1.00 0.00 H new ATOM 2043 N LEU B 35 5.183 4.032 -23.647 1.00 0.00 N ATOM 2044 CA LEU B 35 4.566 4.110 -22.297 1.00 0.00 C ATOM 2045 C LEU B 35 3.124 4.580 -22.452 1.00 0.00 C ATOM 2046 O LEU B 35 2.207 4.028 -21.892 1.00 0.00 O ATOM 2047 CB LEU B 35 5.361 5.121 -21.449 1.00 0.00 C ATOM 2048 CG LEU B 35 4.688 5.376 -20.077 1.00 0.00 C ATOM 2049 CD1 LEU B 35 3.425 6.269 -20.215 1.00 0.00 C ATOM 2050 CD2 LEU B 35 4.318 4.039 -19.425 1.00 0.00 C ATOM 0 H LEU B 35 5.998 4.629 -23.787 1.00 0.00 H new ATOM 0 HA LEU B 35 4.582 3.137 -21.807 1.00 0.00 H new ATOM 0 HB2 LEU B 35 6.373 4.748 -21.294 1.00 0.00 H new ATOM 0 HB3 LEU B 35 5.448 6.062 -21.992 1.00 0.00 H new ATOM 0 HG LEU B 35 5.401 5.907 -19.446 1.00 0.00 H new ATOM 0 HD11 LEU B 35 2.981 6.425 -19.232 1.00 0.00 H new ATOM 0 HD12 LEU B 35 3.705 7.231 -20.644 1.00 0.00 H new ATOM 0 HD13 LEU B 35 2.702 5.778 -20.866 1.00 0.00 H new ATOM 0 HD21 LEU B 35 3.845 4.223 -18.460 1.00 0.00 H new ATOM 0 HD22 LEU B 35 3.626 3.498 -20.071 1.00 0.00 H new ATOM 0 HD23 LEU B 35 5.219 3.443 -19.279 1.00 0.00 H new ATOM 2062 N ILE B 36 2.937 5.634 -23.182 1.00 0.00 N ATOM 2063 CA ILE B 36 1.580 6.207 -23.355 1.00 0.00 C ATOM 2064 C ILE B 36 0.678 5.325 -24.222 1.00 0.00 C ATOM 2065 O ILE B 36 -0.464 5.090 -23.891 1.00 0.00 O ATOM 2066 CB ILE B 36 1.715 7.576 -24.029 1.00 0.00 C ATOM 2067 CG1 ILE B 36 2.632 8.473 -23.189 1.00 0.00 C ATOM 2068 CG2 ILE B 36 0.334 8.227 -24.150 1.00 0.00 C ATOM 2069 CD1 ILE B 36 2.797 9.834 -23.869 1.00 0.00 C ATOM 0 H ILE B 36 3.678 6.132 -23.675 1.00 0.00 H new ATOM 0 HA ILE B 36 1.121 6.283 -22.369 1.00 0.00 H new ATOM 0 HB ILE B 36 2.144 7.449 -25.023 1.00 0.00 H new ATOM 0 HG12 ILE B 36 2.212 8.604 -22.192 1.00 0.00 H new ATOM 0 HG13 ILE B 36 3.605 7.998 -23.066 1.00 0.00 H new ATOM 0 HG21 ILE B 36 0.432 9.201 -24.630 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -0.317 7.591 -24.750 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -0.097 8.353 -23.157 1.00 0.00 H new ATOM 0 HD11 ILE B 36 3.450 10.465 -23.266 1.00 0.00 H new ATOM 0 HD12 ILE B 36 3.237 9.696 -24.857 1.00 0.00 H new ATOM 0 HD13 ILE B 36 1.822 10.311 -23.969 1.00 0.00 H new ATOM 2081 N ASN B 37 1.141 4.894 -25.358 1.00 0.00 N ATOM 2082 CA ASN B 37 0.239 4.104 -26.252 1.00 0.00 C ATOM 2083 C ASN B 37 0.041 2.671 -25.767 1.00 0.00 C ATOM 2084 O ASN B 37 -1.060 2.156 -25.740 1.00 0.00 O ATOM 2085 CB ASN B 37 0.834 4.073 -27.659 1.00 0.00 C ATOM 2086 CG ASN B 37 -0.150 3.392 -28.612 1.00 0.00 C ATOM 2087 OD1 ASN B 37 -1.155 4.074 -29.089 1.00 0.00 O flip ATOM 2088 ND2 ASN B 37 -0.005 2.227 -28.923 1.00 0.00 N flip ATOM 0 H ASN B 37 2.087 5.048 -25.707 1.00 0.00 H new ATOM 0 HA ASN B 37 -0.736 4.591 -26.246 1.00 0.00 H new ATOM 0 HB2 ASN B 37 1.044 5.087 -27.999 1.00 0.00 H new ATOM 0 HB3 ASN B 37 1.782 3.536 -27.653 1.00 0.00 H new ATOM 0 HD21 ASN B 37 0.781 1.694 -28.550 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -0.669 1.782 -29.557 1.00 0.00 H new ATOM 2095 N ASN B 38 1.098 2.013 -25.442 1.00 0.00 N ATOM 2096 CA ASN B 38 0.995 0.581 -25.021 1.00 0.00 C ATOM 2097 C ASN B 38 0.522 0.419 -23.570 1.00 0.00 C ATOM 2098 O ASN B 38 -0.330 -0.400 -23.286 1.00 0.00 O ATOM 2099 CB ASN B 38 2.359 -0.090 -25.181 1.00 0.00 C ATOM 2100 CG ASN B 38 2.221 -1.585 -24.898 1.00 0.00 C ATOM 2101 OD1 ASN B 38 2.127 -2.383 -25.809 1.00 0.00 O ATOM 2102 ND2 ASN B 38 2.197 -1.999 -23.662 1.00 0.00 N ATOM 0 H ASN B 38 2.043 2.396 -25.445 1.00 0.00 H new ATOM 0 HA ASN B 38 0.249 0.109 -25.660 1.00 0.00 H new ATOM 0 HB2 ASN B 38 2.739 0.067 -26.191 1.00 0.00 H new ATOM 0 HB3 ASN B 38 3.080 0.357 -24.496 1.00 0.00 H new ATOM 0 HD21 ASN B 38 2.099 -2.994 -23.459 1.00 0.00 H new ATOM 0 HD22 ASN B 38 2.276 -1.328 -22.898 1.00 0.00 H new ATOM 2109 N GLU B 39 1.078 1.146 -22.641 1.00 0.00 N ATOM 2110 CA GLU B 39 0.650 0.957 -21.220 1.00 0.00 C ATOM 2111 C GLU B 39 -0.775 1.475 -21.034 1.00 0.00 C ATOM 2112 O GLU B 39 -1.575 0.882 -20.338 1.00 0.00 O ATOM 2113 CB GLU B 39 1.594 1.716 -20.276 1.00 0.00 C ATOM 2114 CG GLU B 39 1.487 1.141 -18.866 1.00 0.00 C ATOM 2115 CD GLU B 39 2.405 1.927 -17.929 1.00 0.00 C ATOM 2116 OE1 GLU B 39 3.606 1.721 -17.995 1.00 0.00 O ATOM 2117 OE2 GLU B 39 1.892 2.719 -17.161 1.00 0.00 O ATOM 0 H GLU B 39 1.798 1.852 -22.796 1.00 0.00 H new ATOM 0 HA GLU B 39 0.686 -0.106 -20.984 1.00 0.00 H new ATOM 0 HB2 GLU B 39 2.621 1.638 -20.634 1.00 0.00 H new ATOM 0 HB3 GLU B 39 1.339 2.776 -20.267 1.00 0.00 H new ATOM 0 HG2 GLU B 39 0.456 1.197 -18.515 1.00 0.00 H new ATOM 0 HG3 GLU B 39 1.766 0.087 -18.868 1.00 0.00 H new ATOM 2124 N LEU B 40 -1.098 2.581 -21.647 1.00 0.00 N ATOM 2125 CA LEU B 40 -2.472 3.146 -21.502 1.00 0.00 C ATOM 2126 C LEU B 40 -3.325 2.658 -22.669 1.00 0.00 C ATOM 2127 O LEU B 40 -3.793 3.431 -23.481 1.00 0.00 O ATOM 2128 CB LEU B 40 -2.395 4.678 -21.507 1.00 0.00 C ATOM 2129 CG LEU B 40 -1.146 5.126 -20.740 1.00 0.00 C ATOM 2130 CD1 LEU B 40 -1.139 6.653 -20.622 1.00 0.00 C ATOM 2131 CD2 LEU B 40 -1.144 4.496 -19.337 1.00 0.00 C ATOM 0 H LEU B 40 -0.469 3.119 -22.243 1.00 0.00 H new ATOM 0 HA LEU B 40 -2.919 2.820 -20.563 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -2.359 5.048 -22.532 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -3.289 5.100 -21.047 1.00 0.00 H new ATOM 0 HG LEU B 40 -0.255 4.801 -21.278 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -0.251 6.972 -20.077 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -1.131 7.095 -21.618 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -2.030 6.981 -20.087 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -0.254 4.817 -18.795 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -2.034 4.814 -18.794 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -1.142 3.410 -19.426 1.00 0.00 H new ATOM 2143 N SER B 41 -3.516 1.374 -22.761 1.00 0.00 N ATOM 2144 CA SER B 41 -4.323 0.816 -23.876 1.00 0.00 C ATOM 2145 C SER B 41 -5.746 1.383 -23.834 1.00 0.00 C ATOM 2146 O SER B 41 -6.327 1.688 -24.856 1.00 0.00 O ATOM 2147 CB SER B 41 -4.378 -0.705 -23.740 1.00 0.00 C ATOM 2148 OG SER B 41 -5.107 -1.043 -22.568 1.00 0.00 O ATOM 0 H SER B 41 -3.145 0.684 -22.108 1.00 0.00 H new ATOM 0 HA SER B 41 -3.862 1.089 -24.825 1.00 0.00 H new ATOM 0 HB2 SER B 41 -4.853 -1.144 -24.617 1.00 0.00 H new ATOM 0 HB3 SER B 41 -3.369 -1.114 -23.686 1.00 0.00 H new ATOM 0 HG SER B 41 -6.063 -1.089 -22.779 1.00 0.00 H new ATOM 2154 N HIS B 42 -6.317 1.518 -22.661 1.00 0.00 N ATOM 2155 CA HIS B 42 -7.713 2.057 -22.554 1.00 0.00 C ATOM 2156 C HIS B 42 -7.814 3.061 -21.400 1.00 0.00 C ATOM 2157 O HIS B 42 -8.733 3.853 -21.336 1.00 0.00 O ATOM 2158 CB HIS B 42 -8.674 0.895 -22.297 1.00 0.00 C ATOM 2159 CG HIS B 42 -8.720 0.008 -23.511 1.00 0.00 C ATOM 2160 ND1 HIS B 42 -7.784 -0.993 -23.737 1.00 0.00 N ATOM 2161 CD2 HIS B 42 -9.585 -0.041 -24.576 1.00 0.00 C ATOM 2162 CE1 HIS B 42 -8.106 -1.596 -24.897 1.00 0.00 C ATOM 2163 NE2 HIS B 42 -9.193 -1.052 -25.446 1.00 0.00 N ATOM 0 H HIS B 42 -5.878 1.279 -21.772 1.00 0.00 H new ATOM 0 HA HIS B 42 -7.972 2.565 -23.483 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -8.348 0.324 -21.428 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -9.671 1.275 -22.073 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -10.438 0.606 -24.716 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -7.553 -2.417 -25.329 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -9.643 -1.321 -26.321 1.00 0.00 H new ATOM 2172 N PHE B 43 -6.887 3.033 -20.483 1.00 0.00 N ATOM 2173 CA PHE B 43 -6.945 3.983 -19.336 1.00 0.00 C ATOM 2174 C PHE B 43 -6.879 5.429 -19.840 1.00 0.00 C ATOM 2175 O PHE B 43 -7.567 6.296 -19.336 1.00 0.00 O ATOM 2176 CB PHE B 43 -5.781 3.703 -18.378 1.00 0.00 C ATOM 2177 CG PHE B 43 -5.826 4.674 -17.213 1.00 0.00 C ATOM 2178 CD1 PHE B 43 -6.941 4.708 -16.362 1.00 0.00 C ATOM 2179 CD2 PHE B 43 -4.751 5.545 -16.988 1.00 0.00 C ATOM 2180 CE1 PHE B 43 -6.978 5.611 -15.292 1.00 0.00 C ATOM 2181 CE2 PHE B 43 -4.791 6.446 -15.920 1.00 0.00 C ATOM 2182 CZ PHE B 43 -5.904 6.480 -15.071 1.00 0.00 C ATOM 0 H PHE B 43 -6.092 2.394 -20.478 1.00 0.00 H new ATOM 0 HA PHE B 43 -7.887 3.845 -18.806 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -5.839 2.678 -18.011 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -4.833 3.799 -18.906 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -7.771 4.038 -16.532 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -3.891 5.520 -17.641 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -7.836 5.637 -14.637 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -3.962 7.117 -15.749 1.00 0.00 H new ATOM 0 HZ PHE B 43 -5.933 7.177 -14.246 1.00 0.00 H new ATOM 2192 N LEU B 44 -6.060 5.700 -20.830 1.00 0.00 N ATOM 2193 CA LEU B 44 -5.945 7.093 -21.371 1.00 0.00 C ATOM 2194 C LEU B 44 -6.095 7.029 -22.892 1.00 0.00 C ATOM 2195 O LEU B 44 -5.907 5.991 -23.495 1.00 0.00 O ATOM 2196 CB LEU B 44 -4.567 7.669 -21.000 1.00 0.00 C ATOM 2197 CG LEU B 44 -4.587 9.211 -21.075 1.00 0.00 C ATOM 2198 CD1 LEU B 44 -5.125 9.801 -19.761 1.00 0.00 C ATOM 2199 CD2 LEU B 44 -3.163 9.734 -21.299 1.00 0.00 C ATOM 0 H LEU B 44 -5.463 5.012 -21.289 1.00 0.00 H new ATOM 0 HA LEU B 44 -6.719 7.734 -20.950 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.293 7.352 -19.994 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -3.808 7.276 -21.676 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.232 9.510 -21.901 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -5.134 10.889 -19.827 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -6.139 9.440 -19.588 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -4.484 9.493 -18.935 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -3.179 10.823 -21.352 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -2.526 9.420 -20.472 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -2.770 9.331 -22.233 1.00 0.00 H new ATOM 2211 N GLU B 45 -6.443 8.115 -23.520 1.00 0.00 N ATOM 2212 CA GLU B 45 -6.613 8.075 -24.997 1.00 0.00 C ATOM 2213 C GLU B 45 -5.289 7.688 -25.653 1.00 0.00 C ATOM 2214 O GLU B 45 -4.329 8.434 -25.637 1.00 0.00 O ATOM 2215 CB GLU B 45 -7.045 9.453 -25.500 1.00 0.00 C ATOM 2216 CG GLU B 45 -7.232 9.412 -27.019 1.00 0.00 C ATOM 2217 CD GLU B 45 -7.840 10.735 -27.491 1.00 0.00 C ATOM 2218 OE1 GLU B 45 -8.087 11.583 -26.649 1.00 0.00 O ATOM 2219 OE2 GLU B 45 -8.049 10.877 -28.684 1.00 0.00 O ATOM 0 H GLU B 45 -6.616 9.019 -23.081 1.00 0.00 H new ATOM 0 HA GLU B 45 -7.375 7.339 -25.253 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -7.975 9.752 -25.017 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -6.295 10.199 -25.236 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -6.274 9.243 -27.510 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -7.882 8.581 -27.294 1.00 0.00 H new ATOM 2226 N GLU B 46 -5.238 6.526 -26.237 1.00 0.00 N ATOM 2227 CA GLU B 46 -3.986 6.075 -26.910 1.00 0.00 C ATOM 2228 C GLU B 46 -3.523 7.130 -27.914 1.00 0.00 C ATOM 2229 O GLU B 46 -4.298 7.919 -28.411 1.00 0.00 O ATOM 2230 CB GLU B 46 -4.252 4.754 -27.662 1.00 0.00 C ATOM 2231 CG GLU B 46 -3.956 3.557 -26.762 1.00 0.00 C ATOM 2232 CD GLU B 46 -4.263 2.271 -27.533 1.00 0.00 C ATOM 2233 OE1 GLU B 46 -4.979 2.353 -28.518 1.00 0.00 O ATOM 2234 OE2 GLU B 46 -3.771 1.229 -27.135 1.00 0.00 O ATOM 0 H GLU B 46 -6.013 5.864 -26.279 1.00 0.00 H new ATOM 0 HA GLU B 46 -3.214 5.926 -26.155 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -5.290 4.720 -27.993 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -3.631 4.706 -28.556 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -2.912 3.569 -26.449 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -4.561 3.607 -25.856 1.00 0.00 H new ATOM 2241 N ILE B 47 -2.257 7.124 -28.225 1.00 0.00 N ATOM 2242 CA ILE B 47 -1.711 8.090 -29.213 1.00 0.00 C ATOM 2243 C ILE B 47 -1.689 7.396 -30.576 1.00 0.00 C ATOM 2244 O ILE B 47 -1.201 6.290 -30.706 1.00 0.00 O ATOM 2245 CB ILE B 47 -0.280 8.480 -28.815 1.00 0.00 C ATOM 2246 CG1 ILE B 47 -0.252 9.016 -27.364 1.00 0.00 C ATOM 2247 CG2 ILE B 47 0.250 9.543 -29.786 1.00 0.00 C ATOM 2248 CD1 ILE B 47 -0.654 10.496 -27.308 1.00 0.00 C ATOM 0 H ILE B 47 -1.570 6.482 -27.830 1.00 0.00 H new ATOM 0 HA ILE B 47 -2.324 8.990 -29.248 1.00 0.00 H new ATOM 0 HB ILE B 47 0.358 7.598 -28.866 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -0.930 8.429 -26.744 1.00 0.00 H new ATOM 0 HG13 ILE B 47 0.748 8.893 -26.948 1.00 0.00 H new ATOM 0 HG21 ILE B 47 1.266 9.820 -29.503 1.00 0.00 H new ATOM 0 HG22 ILE B 47 0.252 9.142 -30.799 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -0.391 10.424 -29.746 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -0.624 10.842 -26.275 1.00 0.00 H new ATOM 0 HD12 ILE B 47 0.040 11.085 -27.908 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -1.664 10.614 -27.701 1.00 0.00 H new ATOM 2260 N LYS B 48 -2.236 8.018 -31.587 1.00 0.00 N ATOM 2261 CA LYS B 48 -2.274 7.376 -32.937 1.00 0.00 C ATOM 2262 C LYS B 48 -1.173 7.973 -33.814 1.00 0.00 C ATOM 2263 O LYS B 48 -0.725 7.362 -34.763 1.00 0.00 O ATOM 2264 CB LYS B 48 -3.649 7.648 -33.570 1.00 0.00 C ATOM 2265 CG LYS B 48 -4.743 7.605 -32.491 1.00 0.00 C ATOM 2266 CD LYS B 48 -4.771 6.237 -31.804 1.00 0.00 C ATOM 2267 CE LYS B 48 -5.863 6.241 -30.736 1.00 0.00 C ATOM 2268 NZ LYS B 48 -7.195 6.414 -31.382 1.00 0.00 N ATOM 0 H LYS B 48 -2.659 8.945 -31.537 1.00 0.00 H new ATOM 0 HA LYS B 48 -2.114 6.301 -32.848 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -3.647 8.622 -34.059 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -3.857 6.905 -34.340 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -4.563 8.385 -31.752 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -5.714 7.811 -32.942 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -4.962 5.452 -32.535 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -3.803 6.022 -31.352 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -5.839 5.308 -30.174 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -5.686 7.047 -30.024 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -7.940 6.086 -30.735 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -7.346 7.419 -31.603 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -7.230 5.858 -32.260 1.00 0.00 H new ATOM 2282 N GLU B 49 -0.733 9.162 -33.493 1.00 0.00 N ATOM 2283 CA GLU B 49 0.348 9.823 -34.287 1.00 0.00 C ATOM 2284 C GLU B 49 1.501 10.206 -33.365 1.00 0.00 C ATOM 2285 O GLU B 49 1.301 10.669 -32.260 1.00 0.00 O ATOM 2286 CB GLU B 49 -0.204 11.082 -34.951 1.00 0.00 C ATOM 2287 CG GLU B 49 -1.171 10.685 -36.061 1.00 0.00 C ATOM 2288 CD GLU B 49 -1.913 11.924 -36.565 1.00 0.00 C ATOM 2289 OE1 GLU B 49 -1.652 12.998 -36.048 1.00 0.00 O ATOM 2290 OE2 GLU B 49 -2.723 11.779 -37.466 1.00 0.00 O ATOM 0 H GLU B 49 -1.080 9.710 -32.706 1.00 0.00 H new ATOM 0 HA GLU B 49 0.706 9.132 -35.050 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -0.714 11.702 -34.214 1.00 0.00 H new ATOM 0 HB3 GLU B 49 0.612 11.679 -35.360 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -0.626 10.217 -36.881 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -1.883 9.948 -35.690 1.00 0.00 H new ATOM 2297 N GLN B 50 2.708 10.030 -33.817 1.00 0.00 N ATOM 2298 CA GLN B 50 3.873 10.397 -32.974 1.00 0.00 C ATOM 2299 C GLN B 50 3.938 11.920 -32.858 1.00 0.00 C ATOM 2300 O GLN B 50 4.571 12.452 -31.974 1.00 0.00 O ATOM 2301 CB GLN B 50 5.168 9.889 -33.619 1.00 0.00 C ATOM 2302 CG GLN B 50 6.314 9.943 -32.588 1.00 0.00 C ATOM 2303 CD GLN B 50 7.647 10.178 -33.294 1.00 0.00 C ATOM 2304 OE1 GLN B 50 8.197 9.285 -33.907 1.00 0.00 O ATOM 2305 NE2 GLN B 50 8.185 11.363 -33.234 1.00 0.00 N ATOM 0 H GLN B 50 2.937 9.648 -34.734 1.00 0.00 H new ATOM 0 HA GLN B 50 3.763 9.946 -31.988 1.00 0.00 H new ATOM 0 HB2 GLN B 50 5.033 8.868 -33.975 1.00 0.00 H new ATOM 0 HB3 GLN B 50 5.417 10.499 -34.488 1.00 0.00 H new ATOM 0 HG2 GLN B 50 6.129 10.741 -31.869 1.00 0.00 H new ATOM 0 HG3 GLN B 50 6.351 9.010 -32.026 1.00 0.00 H new ATOM 0 HE21 GLN B 50 7.719 12.109 -32.718 1.00 0.00 H new ATOM 0 HE22 GLN B 50 9.072 11.545 -33.703 1.00 0.00 H new ATOM 2314 N GLU B 51 3.301 12.631 -33.750 1.00 0.00 N ATOM 2315 CA GLU B 51 3.359 14.123 -33.673 1.00 0.00 C ATOM 2316 C GLU B 51 2.786 14.578 -32.334 1.00 0.00 C ATOM 2317 O GLU B 51 3.258 15.522 -31.745 1.00 0.00 O ATOM 2318 CB GLU B 51 2.561 14.746 -34.828 1.00 0.00 C ATOM 2319 CG GLU B 51 1.057 14.594 -34.576 1.00 0.00 C ATOM 2320 CD GLU B 51 0.293 14.809 -35.886 1.00 0.00 C ATOM 2321 OE1 GLU B 51 0.399 13.961 -36.756 1.00 0.00 O ATOM 2322 OE2 GLU B 51 -0.381 15.820 -35.998 1.00 0.00 O ATOM 0 H GLU B 51 2.750 12.251 -34.520 1.00 0.00 H new ATOM 0 HA GLU B 51 4.396 14.449 -33.755 1.00 0.00 H new ATOM 0 HB2 GLU B 51 2.815 15.801 -34.928 1.00 0.00 H new ATOM 0 HB3 GLU B 51 2.830 14.263 -35.767 1.00 0.00 H new ATOM 0 HG2 GLU B 51 0.843 13.602 -34.177 1.00 0.00 H new ATOM 0 HG3 GLU B 51 0.728 15.316 -33.829 1.00 0.00 H new ATOM 2329 N VAL B 52 1.789 13.904 -31.838 1.00 0.00 N ATOM 2330 CA VAL B 52 1.219 14.293 -30.522 1.00 0.00 C ATOM 2331 C VAL B 52 2.317 14.187 -29.484 1.00 0.00 C ATOM 2332 O VAL B 52 2.410 14.982 -28.577 1.00 0.00 O ATOM 2333 CB VAL B 52 0.079 13.346 -30.157 1.00 0.00 C ATOM 2334 CG1 VAL B 52 -0.468 13.705 -28.773 1.00 0.00 C ATOM 2335 CG2 VAL B 52 -1.030 13.463 -31.201 1.00 0.00 C ATOM 0 H VAL B 52 1.345 13.102 -32.286 1.00 0.00 H new ATOM 0 HA VAL B 52 0.832 15.311 -30.563 1.00 0.00 H new ATOM 0 HB VAL B 52 0.449 12.321 -30.137 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -1.282 13.027 -28.516 1.00 0.00 H new ATOM 0 HG12 VAL B 52 0.327 13.615 -28.033 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -0.839 14.730 -28.783 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -1.846 12.788 -30.943 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -1.401 14.488 -31.224 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -0.636 13.197 -32.182 1.00 0.00 H new ATOM 2345 N VAL B 53 3.144 13.196 -29.614 1.00 0.00 N ATOM 2346 CA VAL B 53 4.248 13.007 -28.649 1.00 0.00 C ATOM 2347 C VAL B 53 5.262 14.134 -28.811 1.00 0.00 C ATOM 2348 O VAL B 53 5.879 14.552 -27.864 1.00 0.00 O ATOM 2349 CB VAL B 53 4.903 11.667 -28.928 1.00 0.00 C ATOM 2350 CG1 VAL B 53 5.946 11.368 -27.865 1.00 0.00 C ATOM 2351 CG2 VAL B 53 3.833 10.589 -28.909 1.00 0.00 C ATOM 0 H VAL B 53 3.100 12.500 -30.359 1.00 0.00 H new ATOM 0 HA VAL B 53 3.869 13.024 -27.627 1.00 0.00 H new ATOM 0 HB VAL B 53 5.391 11.692 -29.902 1.00 0.00 H new ATOM 0 HG11 VAL B 53 6.411 10.404 -28.073 1.00 0.00 H new ATOM 0 HG12 VAL B 53 6.707 12.148 -27.873 1.00 0.00 H new ATOM 0 HG13 VAL B 53 5.469 11.337 -26.886 1.00 0.00 H new ATOM 0 HG21 VAL B 53 4.290 9.620 -29.108 1.00 0.00 H new ATOM 0 HG22 VAL B 53 3.353 10.570 -27.930 1.00 0.00 H new ATOM 0 HG23 VAL B 53 3.087 10.803 -29.675 1.00 0.00 H new ATOM 2361 N ASP B 54 5.444 14.615 -30.010 1.00 0.00 N ATOM 2362 CA ASP B 54 6.414 15.720 -30.248 1.00 0.00 C ATOM 2363 C ASP B 54 5.931 16.986 -29.537 1.00 0.00 C ATOM 2364 O ASP B 54 6.700 17.757 -28.999 1.00 0.00 O ATOM 2365 CB ASP B 54 6.519 15.994 -31.750 1.00 0.00 C ATOM 2366 CG ASP B 54 7.523 17.123 -31.998 1.00 0.00 C ATOM 2367 OD1 ASP B 54 7.928 17.753 -31.035 1.00 0.00 O ATOM 2368 OD2 ASP B 54 7.871 17.337 -33.147 1.00 0.00 O ATOM 0 H ASP B 54 4.957 14.286 -30.843 1.00 0.00 H new ATOM 0 HA ASP B 54 7.391 15.432 -29.860 1.00 0.00 H new ATOM 0 HB2 ASP B 54 6.835 15.091 -32.273 1.00 0.00 H new ATOM 0 HB3 ASP B 54 5.542 16.268 -32.149 1.00 0.00 H new ATOM 2373 N LYS B 55 4.656 17.202 -29.555 1.00 0.00 N ATOM 2374 CA LYS B 55 4.076 18.409 -28.905 1.00 0.00 C ATOM 2375 C LYS B 55 4.208 18.252 -27.395 1.00 0.00 C ATOM 2376 O LYS B 55 4.530 19.178 -26.669 1.00 0.00 O ATOM 2377 CB LYS B 55 2.601 18.528 -29.300 1.00 0.00 C ATOM 2378 CG LYS B 55 2.059 19.881 -28.850 1.00 0.00 C ATOM 2379 CD LYS B 55 0.598 20.016 -29.277 1.00 0.00 C ATOM 2380 CE LYS B 55 0.091 21.413 -28.916 1.00 0.00 C ATOM 2381 NZ LYS B 55 0.103 21.579 -27.436 1.00 0.00 N ATOM 0 H LYS B 55 3.974 16.586 -29.999 1.00 0.00 H new ATOM 0 HA LYS B 55 4.600 19.310 -29.224 1.00 0.00 H new ATOM 0 HB2 LYS B 55 2.493 18.422 -30.380 1.00 0.00 H new ATOM 0 HB3 LYS B 55 2.025 17.724 -28.842 1.00 0.00 H new ATOM 0 HG2 LYS B 55 2.142 19.975 -27.767 1.00 0.00 H new ATOM 0 HG3 LYS B 55 2.652 20.685 -29.287 1.00 0.00 H new ATOM 0 HD2 LYS B 55 0.504 19.849 -30.350 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -0.009 19.258 -28.782 1.00 0.00 H new ATOM 0 HE2 LYS B 55 0.720 22.171 -29.383 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -0.919 21.555 -29.300 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -0.210 22.540 -27.192 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -0.540 20.886 -27.004 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 1.067 21.427 -27.077 1.00 0.00 H new ATOM 2395 N VAL B 56 3.980 17.065 -26.930 1.00 0.00 N ATOM 2396 CA VAL B 56 4.100 16.788 -25.479 1.00 0.00 C ATOM 2397 C VAL B 56 5.572 16.914 -25.096 1.00 0.00 C ATOM 2398 O VAL B 56 5.918 17.297 -23.997 1.00 0.00 O ATOM 2399 CB VAL B 56 3.578 15.377 -25.199 1.00 0.00 C ATOM 2400 CG1 VAL B 56 3.934 14.961 -23.773 1.00 0.00 C ATOM 2401 CG2 VAL B 56 2.057 15.369 -25.362 1.00 0.00 C ATOM 0 H VAL B 56 3.712 16.263 -27.500 1.00 0.00 H new ATOM 0 HA VAL B 56 3.514 17.493 -24.890 1.00 0.00 H new ATOM 0 HB VAL B 56 4.034 14.677 -25.899 1.00 0.00 H new ATOM 0 HG11 VAL B 56 3.558 13.956 -23.583 1.00 0.00 H new ATOM 0 HG12 VAL B 56 5.017 14.973 -23.650 1.00 0.00 H new ATOM 0 HG13 VAL B 56 3.481 15.657 -23.067 1.00 0.00 H new ATOM 0 HG21 VAL B 56 1.675 14.367 -25.164 1.00 0.00 H new ATOM 0 HG22 VAL B 56 1.612 16.072 -24.658 1.00 0.00 H new ATOM 0 HG23 VAL B 56 1.799 15.662 -26.380 1.00 0.00 H new ATOM 2411 N MET B 57 6.435 16.610 -26.023 1.00 0.00 N ATOM 2412 CA MET B 57 7.898 16.720 -25.766 1.00 0.00 C ATOM 2413 C MET B 57 8.222 18.183 -25.479 1.00 0.00 C ATOM 2414 O MET B 57 9.020 18.497 -24.635 1.00 0.00 O ATOM 2415 CB MET B 57 8.676 16.229 -27.009 1.00 0.00 C ATOM 2416 CG MET B 57 9.206 14.781 -26.831 1.00 0.00 C ATOM 2417 SD MET B 57 10.994 14.852 -26.471 1.00 0.00 S ATOM 2418 CE MET B 57 11.120 13.593 -25.171 1.00 0.00 C ATOM 0 H MET B 57 6.187 16.286 -26.958 1.00 0.00 H new ATOM 0 HA MET B 57 8.187 16.106 -24.913 1.00 0.00 H new ATOM 0 HB2 MET B 57 8.026 16.272 -27.883 1.00 0.00 H new ATOM 0 HB3 MET B 57 9.513 16.900 -27.201 1.00 0.00 H new ATOM 0 HG2 MET B 57 8.677 14.282 -26.019 1.00 0.00 H new ATOM 0 HG3 MET B 57 9.025 14.199 -27.735 1.00 0.00 H new ATOM 0 HE1 MET B 57 11.738 13.971 -24.357 1.00 0.00 H new ATOM 0 HE2 MET B 57 10.125 13.359 -24.793 1.00 0.00 H new ATOM 0 HE3 MET B 57 11.573 12.691 -25.581 1.00 0.00 H new ATOM 2428 N GLU B 58 7.601 19.088 -26.161 1.00 0.00 N ATOM 2429 CA GLU B 58 7.897 20.515 -25.889 1.00 0.00 C ATOM 2430 C GLU B 58 7.654 20.759 -24.405 1.00 0.00 C ATOM 2431 O GLU B 58 8.388 21.466 -23.744 1.00 0.00 O ATOM 2432 CB GLU B 58 6.962 21.406 -26.706 1.00 0.00 C ATOM 2433 CG GLU B 58 7.392 22.865 -26.555 1.00 0.00 C ATOM 2434 CD GLU B 58 6.460 23.759 -27.374 1.00 0.00 C ATOM 2435 OE1 GLU B 58 5.674 23.220 -28.135 1.00 0.00 O ATOM 2436 OE2 GLU B 58 6.554 24.967 -27.232 1.00 0.00 O ATOM 0 H GLU B 58 6.908 18.909 -26.888 1.00 0.00 H new ATOM 0 HA GLU B 58 8.927 20.748 -26.161 1.00 0.00 H new ATOM 0 HB2 GLU B 58 6.989 21.114 -27.756 1.00 0.00 H new ATOM 0 HB3 GLU B 58 5.934 21.281 -26.366 1.00 0.00 H new ATOM 0 HG2 GLU B 58 7.363 23.157 -25.505 1.00 0.00 H new ATOM 0 HG3 GLU B 58 8.421 22.989 -26.892 1.00 0.00 H new ATOM 2443 N THR B 59 6.616 20.171 -23.883 1.00 0.00 N ATOM 2444 CA THR B 59 6.297 20.353 -22.442 1.00 0.00 C ATOM 2445 C THR B 59 7.188 19.472 -21.551 1.00 0.00 C ATOM 2446 O THR B 59 7.679 19.914 -20.532 1.00 0.00 O ATOM 2447 CB THR B 59 4.831 19.976 -22.214 1.00 0.00 C ATOM 2448 OG1 THR B 59 4.026 20.594 -23.208 1.00 0.00 O ATOM 2449 CG2 THR B 59 4.385 20.448 -20.832 1.00 0.00 C ATOM 0 H THR B 59 5.972 19.569 -24.396 1.00 0.00 H new ATOM 0 HA THR B 59 6.478 21.394 -22.176 1.00 0.00 H new ATOM 0 HB THR B 59 4.723 18.893 -22.276 1.00 0.00 H new ATOM 0 HG1 THR B 59 3.087 20.353 -23.065 1.00 0.00 H new ATOM 0 HG21 THR B 59 3.341 20.177 -20.674 1.00 0.00 H new ATOM 0 HG22 THR B 59 5.002 19.974 -20.069 1.00 0.00 H new ATOM 0 HG23 THR B 59 4.493 21.531 -20.765 1.00 0.00 H new ATOM 2457 N LEU B 60 7.376 18.225 -21.902 1.00 0.00 N ATOM 2458 CA LEU B 60 8.204 17.318 -21.046 1.00 0.00 C ATOM 2459 C LEU B 60 9.674 17.370 -21.447 1.00 0.00 C ATOM 2460 O LEU B 60 10.532 16.935 -20.708 1.00 0.00 O ATOM 2461 CB LEU B 60 7.696 15.883 -21.189 1.00 0.00 C ATOM 2462 CG LEU B 60 6.189 15.823 -20.918 1.00 0.00 C ATOM 2463 CD1 LEU B 60 5.757 14.356 -20.873 1.00 0.00 C ATOM 2464 CD2 LEU B 60 5.860 16.500 -19.579 1.00 0.00 C ATOM 0 H LEU B 60 6.993 17.795 -22.744 1.00 0.00 H new ATOM 0 HA LEU B 60 8.116 17.651 -20.012 1.00 0.00 H new ATOM 0 HB2 LEU B 60 7.907 15.514 -22.193 1.00 0.00 H new ATOM 0 HB3 LEU B 60 8.224 15.232 -20.492 1.00 0.00 H new ATOM 0 HG LEU B 60 5.656 16.347 -21.711 1.00 0.00 H new ATOM 0 HD11 LEU B 60 4.686 14.298 -20.681 1.00 0.00 H new ATOM 0 HD12 LEU B 60 5.980 13.881 -21.829 1.00 0.00 H new ATOM 0 HD13 LEU B 60 6.297 13.842 -20.078 1.00 0.00 H new ATOM 0 HD21 LEU B 60 4.786 16.450 -19.400 1.00 0.00 H new ATOM 0 HD22 LEU B 60 6.387 15.988 -18.773 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.174 17.543 -19.612 1.00 0.00 H new ATOM 2476 N ASP B 61 9.990 17.904 -22.590 1.00 0.00 N ATOM 2477 CA ASP B 61 11.429 17.974 -22.975 1.00 0.00 C ATOM 2478 C ASP B 61 12.016 19.182 -22.269 1.00 0.00 C ATOM 2479 O ASP B 61 12.471 20.128 -22.880 1.00 0.00 O ATOM 2480 CB ASP B 61 11.596 18.122 -24.490 1.00 0.00 C ATOM 2481 CG ASP B 61 13.068 17.920 -24.851 1.00 0.00 C ATOM 2482 OD1 ASP B 61 13.877 17.850 -23.938 1.00 0.00 O ATOM 2483 OD2 ASP B 61 13.361 17.830 -26.031 1.00 0.00 O ATOM 0 H ASP B 61 9.330 18.289 -23.266 1.00 0.00 H new ATOM 0 HA ASP B 61 11.939 17.055 -22.686 1.00 0.00 H new ATOM 0 HB2 ASP B 61 10.977 17.391 -25.010 1.00 0.00 H new ATOM 0 HB3 ASP B 61 11.262 19.109 -24.811 1.00 0.00 H new ATOM 2488 N GLU B 62 11.979 19.150 -20.972 1.00 0.00 N ATOM 2489 CA GLU B 62 12.499 20.288 -20.175 1.00 0.00 C ATOM 2490 C GLU B 62 13.977 20.489 -20.493 1.00 0.00 C ATOM 2491 O GLU B 62 14.451 21.601 -20.614 1.00 0.00 O ATOM 2492 CB GLU B 62 12.342 19.961 -18.691 1.00 0.00 C ATOM 2493 CG GLU B 62 10.903 19.514 -18.413 1.00 0.00 C ATOM 2494 CD GLU B 62 10.722 19.296 -16.909 1.00 0.00 C ATOM 2495 OE1 GLU B 62 11.718 19.311 -16.204 1.00 0.00 O ATOM 2496 OE2 GLU B 62 9.591 19.123 -16.487 1.00 0.00 O ATOM 0 H GLU B 62 11.606 18.375 -20.423 1.00 0.00 H new ATOM 0 HA GLU B 62 11.947 21.197 -20.416 1.00 0.00 H new ATOM 0 HB2 GLU B 62 13.040 19.174 -18.406 1.00 0.00 H new ATOM 0 HB3 GLU B 62 12.585 20.836 -18.088 1.00 0.00 H new ATOM 0 HG2 GLU B 62 10.201 20.267 -18.770 1.00 0.00 H new ATOM 0 HG3 GLU B 62 10.685 18.593 -18.954 1.00 0.00 H new ATOM 2503 N ASP B 63 14.705 19.422 -20.638 1.00 0.00 N ATOM 2504 CA ASP B 63 16.151 19.551 -20.959 1.00 0.00 C ATOM 2505 C ASP B 63 16.290 19.958 -22.425 1.00 0.00 C ATOM 2506 O ASP B 63 17.338 20.385 -22.867 1.00 0.00 O ATOM 2507 CB ASP B 63 16.845 18.205 -20.734 1.00 0.00 C ATOM 2508 CG ASP B 63 16.689 17.786 -19.271 1.00 0.00 C ATOM 2509 OD1 ASP B 63 16.972 18.601 -18.409 1.00 0.00 O ATOM 2510 OD2 ASP B 63 16.289 16.657 -19.038 1.00 0.00 O ATOM 0 H ASP B 63 14.362 18.465 -20.548 1.00 0.00 H new ATOM 0 HA ASP B 63 16.611 20.303 -20.318 1.00 0.00 H new ATOM 0 HB2 ASP B 63 16.413 17.448 -21.388 1.00 0.00 H new ATOM 0 HB3 ASP B 63 17.902 18.282 -20.990 1.00 0.00 H new ATOM 2515 N GLY B 64 15.231 19.841 -23.180 1.00 0.00 N ATOM 2516 CA GLY B 64 15.295 20.233 -24.618 1.00 0.00 C ATOM 2517 C GLY B 64 16.239 19.293 -25.374 1.00 0.00 C ATOM 2518 O GLY B 64 16.863 19.685 -26.340 1.00 0.00 O ATOM 0 H GLY B 64 14.326 19.492 -22.864 1.00 0.00 H new ATOM 0 HA2 GLY B 64 14.299 20.194 -25.059 1.00 0.00 H new ATOM 0 HA3 GLY B 64 15.643 21.262 -24.708 1.00 0.00 H new ATOM 2522 N ASP B 65 16.355 18.055 -24.945 1.00 0.00 N ATOM 2523 CA ASP B 65 17.269 17.090 -25.641 1.00 0.00 C ATOM 2524 C ASP B 65 16.441 16.075 -26.430 1.00 0.00 C ATOM 2525 O ASP B 65 16.963 15.117 -26.964 1.00 0.00 O ATOM 2526 CB ASP B 65 18.121 16.359 -24.600 1.00 0.00 C ATOM 2527 CG ASP B 65 17.214 15.588 -23.640 1.00 0.00 C ATOM 2528 OD1 ASP B 65 16.024 15.856 -23.634 1.00 0.00 O ATOM 2529 OD2 ASP B 65 17.726 14.745 -22.922 1.00 0.00 O ATOM 0 H ASP B 65 15.855 17.672 -24.142 1.00 0.00 H new ATOM 0 HA ASP B 65 17.918 17.634 -26.327 1.00 0.00 H new ATOM 0 HB2 ASP B 65 18.809 15.673 -25.095 1.00 0.00 H new ATOM 0 HB3 ASP B 65 18.728 17.075 -24.046 1.00 0.00 H new ATOM 2534 N GLY B 66 15.154 16.271 -26.498 1.00 0.00 N ATOM 2535 CA GLY B 66 14.295 15.309 -27.244 1.00 0.00 C ATOM 2536 C GLY B 66 14.078 14.075 -26.373 1.00 0.00 C ATOM 2537 O GLY B 66 13.487 13.098 -26.787 1.00 0.00 O ATOM 0 H GLY B 66 14.660 17.054 -26.070 1.00 0.00 H new ATOM 0 HA2 GLY B 66 13.339 15.770 -27.493 1.00 0.00 H new ATOM 0 HA3 GLY B 66 14.769 15.030 -28.185 1.00 0.00 H new ATOM 2541 N GLU B 67 14.562 14.123 -25.161 1.00 0.00 N ATOM 2542 CA GLU B 67 14.410 12.974 -24.226 1.00 0.00 C ATOM 2543 C GLU B 67 14.002 13.504 -22.849 1.00 0.00 C ATOM 2544 O GLU B 67 14.628 14.394 -22.308 1.00 0.00 O ATOM 2545 CB GLU B 67 15.754 12.253 -24.102 1.00 0.00 C ATOM 2546 CG GLU B 67 16.301 11.948 -25.498 1.00 0.00 C ATOM 2547 CD GLU B 67 17.628 11.200 -25.374 1.00 0.00 C ATOM 2548 OE1 GLU B 67 18.654 11.858 -25.316 1.00 0.00 O ATOM 2549 OE2 GLU B 67 17.597 9.981 -25.341 1.00 0.00 O ATOM 0 H GLU B 67 15.064 14.923 -24.775 1.00 0.00 H new ATOM 0 HA GLU B 67 13.651 12.287 -24.601 1.00 0.00 H new ATOM 0 HB2 GLU B 67 16.461 12.872 -23.550 1.00 0.00 H new ATOM 0 HB3 GLU B 67 15.632 11.328 -23.538 1.00 0.00 H new ATOM 0 HG2 GLU B 67 15.584 11.348 -26.058 1.00 0.00 H new ATOM 0 HG3 GLU B 67 16.444 12.874 -26.054 1.00 0.00 H new ATOM 2556 N CYS B 68 12.970 12.951 -22.270 1.00 0.00 N ATOM 2557 CA CYS B 68 12.529 13.402 -20.911 1.00 0.00 C ATOM 2558 C CYS B 68 13.118 12.433 -19.883 1.00 0.00 C ATOM 2559 O CYS B 68 12.976 11.237 -19.990 1.00 0.00 O ATOM 2560 CB CYS B 68 10.987 13.418 -20.840 1.00 0.00 C ATOM 2561 SG CYS B 68 10.310 12.300 -22.094 1.00 0.00 S ATOM 0 H CYS B 68 12.409 12.203 -22.679 1.00 0.00 H new ATOM 0 HA CYS B 68 12.879 14.413 -20.704 1.00 0.00 H new ATOM 0 HB2 CYS B 68 10.655 13.112 -19.848 1.00 0.00 H new ATOM 0 HB3 CYS B 68 10.616 14.430 -21.002 1.00 0.00 H new ATOM 0 HG CYS B 68 9.440 11.506 -21.543 1.00 0.00 H new ATOM 2567 N ASP B 69 13.798 12.948 -18.902 1.00 0.00 N ATOM 2568 CA ASP B 69 14.430 12.072 -17.873 1.00 0.00 C ATOM 2569 C ASP B 69 13.358 11.491 -16.950 1.00 0.00 C ATOM 2570 O ASP B 69 12.242 11.970 -16.906 1.00 0.00 O ATOM 2571 CB ASP B 69 15.440 12.897 -17.077 1.00 0.00 C ATOM 2572 CG ASP B 69 16.649 13.211 -17.961 1.00 0.00 C ATOM 2573 OD1 ASP B 69 16.848 12.502 -18.934 1.00 0.00 O ATOM 2574 OD2 ASP B 69 17.357 14.155 -17.650 1.00 0.00 O ATOM 0 H ASP B 69 13.946 13.948 -18.765 1.00 0.00 H new ATOM 0 HA ASP B 69 14.945 11.242 -18.356 1.00 0.00 H new ATOM 0 HB2 ASP B 69 14.979 13.822 -16.731 1.00 0.00 H new ATOM 0 HB3 ASP B 69 15.757 12.348 -16.190 1.00 0.00 H new ATOM 2579 N PHE B 70 13.671 10.439 -16.235 1.00 0.00 N ATOM 2580 CA PHE B 70 12.644 9.821 -15.354 1.00 0.00 C ATOM 2581 C PHE B 70 12.032 10.900 -14.460 1.00 0.00 C ATOM 2582 O PHE B 70 10.874 10.834 -14.124 1.00 0.00 O ATOM 2583 CB PHE B 70 13.256 8.658 -14.528 1.00 0.00 C ATOM 2584 CG PHE B 70 13.634 9.065 -13.117 1.00 0.00 C ATOM 2585 CD1 PHE B 70 14.874 9.657 -12.850 1.00 0.00 C ATOM 2586 CD2 PHE B 70 12.741 8.808 -12.066 1.00 0.00 C ATOM 2587 CE1 PHE B 70 15.215 9.996 -11.533 1.00 0.00 C ATOM 2588 CE2 PHE B 70 13.086 9.138 -10.756 1.00 0.00 C ATOM 2589 CZ PHE B 70 14.319 9.732 -10.486 1.00 0.00 C ATOM 0 H PHE B 70 14.586 9.988 -16.225 1.00 0.00 H new ATOM 0 HA PHE B 70 11.850 9.389 -15.963 1.00 0.00 H new ATOM 0 HB2 PHE B 70 12.541 7.836 -14.484 1.00 0.00 H new ATOM 0 HB3 PHE B 70 14.141 8.283 -15.041 1.00 0.00 H new ATOM 0 HD1 PHE B 70 15.566 9.852 -13.656 1.00 0.00 H new ATOM 0 HD2 PHE B 70 11.783 8.353 -12.272 1.00 0.00 H new ATOM 0 HE1 PHE B 70 16.167 10.460 -11.324 1.00 0.00 H new ATOM 0 HE2 PHE B 70 12.398 8.933 -9.949 1.00 0.00 H new ATOM 0 HZ PHE B 70 14.584 9.989 -9.471 1.00 0.00 H new ATOM 2599 N GLN B 71 12.780 11.901 -14.086 1.00 0.00 N ATOM 2600 CA GLN B 71 12.179 12.970 -13.242 1.00 0.00 C ATOM 2601 C GLN B 71 11.168 13.747 -14.091 1.00 0.00 C ATOM 2602 O GLN B 71 10.121 14.142 -13.617 1.00 0.00 O ATOM 2603 CB GLN B 71 13.266 13.918 -12.720 1.00 0.00 C ATOM 2604 CG GLN B 71 13.934 14.638 -13.885 1.00 0.00 C ATOM 2605 CD GLN B 71 15.152 15.411 -13.373 1.00 0.00 C ATOM 2606 OE1 GLN B 71 15.955 14.881 -12.632 1.00 0.00 O ATOM 2607 NE2 GLN B 71 15.319 16.655 -13.731 1.00 0.00 N ATOM 0 H GLN B 71 13.764 12.024 -14.323 1.00 0.00 H new ATOM 0 HA GLN B 71 11.681 12.522 -12.382 1.00 0.00 H new ATOM 0 HB2 GLN B 71 12.828 14.645 -12.036 1.00 0.00 H new ATOM 0 HB3 GLN B 71 14.009 13.356 -12.155 1.00 0.00 H new ATOM 0 HG2 GLN B 71 14.239 13.919 -14.645 1.00 0.00 H new ATOM 0 HG3 GLN B 71 13.228 15.321 -14.358 1.00 0.00 H new ATOM 0 HE21 GLN B 71 14.645 17.101 -14.353 1.00 0.00 H new ATOM 0 HE22 GLN B 71 16.123 17.181 -13.388 1.00 0.00 H new ATOM 2616 N GLU B 72 11.466 13.964 -15.350 1.00 0.00 N ATOM 2617 CA GLU B 72 10.512 14.708 -16.219 1.00 0.00 C ATOM 2618 C GLU B 72 9.263 13.847 -16.449 1.00 0.00 C ATOM 2619 O GLU B 72 8.144 14.328 -16.430 1.00 0.00 O ATOM 2620 CB GLU B 72 11.188 15.004 -17.562 1.00 0.00 C ATOM 2621 CG GLU B 72 12.294 16.043 -17.356 1.00 0.00 C ATOM 2622 CD GLU B 72 13.027 16.286 -18.676 1.00 0.00 C ATOM 2623 OE1 GLU B 72 12.531 17.063 -19.474 1.00 0.00 O ATOM 2624 OE2 GLU B 72 14.077 15.694 -18.864 1.00 0.00 O ATOM 0 H GLU B 72 12.325 13.658 -15.808 1.00 0.00 H new ATOM 0 HA GLU B 72 10.223 15.644 -15.741 1.00 0.00 H new ATOM 0 HB2 GLU B 72 11.607 14.089 -17.980 1.00 0.00 H new ATOM 0 HB3 GLU B 72 10.454 15.375 -18.277 1.00 0.00 H new ATOM 0 HG2 GLU B 72 11.866 16.976 -16.990 1.00 0.00 H new ATOM 0 HG3 GLU B 72 12.996 15.695 -16.598 1.00 0.00 H new ATOM 2631 N PHE B 73 9.453 12.571 -16.643 1.00 0.00 N ATOM 2632 CA PHE B 73 8.301 11.653 -16.855 1.00 0.00 C ATOM 2633 C PHE B 73 7.388 11.675 -15.632 1.00 0.00 C ATOM 2634 O PHE B 73 6.181 11.594 -15.739 1.00 0.00 O ATOM 2635 CB PHE B 73 8.818 10.231 -17.073 1.00 0.00 C ATOM 2636 CG PHE B 73 7.642 9.297 -17.185 1.00 0.00 C ATOM 2637 CD1 PHE B 73 6.982 9.147 -18.407 1.00 0.00 C ATOM 2638 CD2 PHE B 73 7.205 8.591 -16.059 1.00 0.00 C ATOM 2639 CE1 PHE B 73 5.885 8.290 -18.506 1.00 0.00 C ATOM 2640 CE2 PHE B 73 6.108 7.730 -16.156 1.00 0.00 C ATOM 2641 CZ PHE B 73 5.447 7.579 -17.378 1.00 0.00 C ATOM 0 H PHE B 73 10.368 12.121 -16.664 1.00 0.00 H new ATOM 0 HA PHE B 73 7.739 11.980 -17.730 1.00 0.00 H new ATOM 0 HB2 PHE B 73 9.424 10.185 -17.978 1.00 0.00 H new ATOM 0 HB3 PHE B 73 9.460 9.932 -16.244 1.00 0.00 H new ATOM 0 HD1 PHE B 73 7.320 9.694 -19.275 1.00 0.00 H new ATOM 0 HD2 PHE B 73 7.715 8.711 -15.115 1.00 0.00 H new ATOM 0 HE1 PHE B 73 5.373 8.174 -19.450 1.00 0.00 H new ATOM 0 HE2 PHE B 73 5.772 7.182 -15.288 1.00 0.00 H new ATOM 0 HZ PHE B 73 4.599 6.915 -17.454 1.00 0.00 H new ATOM 2651 N MET B 74 7.971 11.756 -14.474 1.00 0.00 N ATOM 2652 CA MET B 74 7.182 11.752 -13.215 1.00 0.00 C ATOM 2653 C MET B 74 6.211 12.931 -13.184 1.00 0.00 C ATOM 2654 O MET B 74 5.102 12.822 -12.695 1.00 0.00 O ATOM 2655 CB MET B 74 8.140 11.854 -12.019 1.00 0.00 C ATOM 2656 CG MET B 74 8.766 10.484 -11.709 1.00 0.00 C ATOM 2657 SD MET B 74 7.483 9.288 -11.237 1.00 0.00 S ATOM 2658 CE MET B 74 6.848 10.171 -9.792 1.00 0.00 C ATOM 0 H MET B 74 8.980 11.826 -14.344 1.00 0.00 H new ATOM 0 HA MET B 74 6.610 10.826 -13.162 1.00 0.00 H new ATOM 0 HB2 MET B 74 8.925 12.578 -12.236 1.00 0.00 H new ATOM 0 HB3 MET B 74 7.601 12.220 -11.145 1.00 0.00 H new ATOM 0 HG2 MET B 74 9.307 10.119 -12.582 1.00 0.00 H new ATOM 0 HG3 MET B 74 9.492 10.584 -10.902 1.00 0.00 H new ATOM 0 HE1 MET B 74 6.235 9.497 -9.194 1.00 0.00 H new ATOM 0 HE2 MET B 74 7.682 10.533 -9.191 1.00 0.00 H new ATOM 0 HE3 MET B 74 6.243 11.017 -10.119 1.00 0.00 H new ATOM 2668 N ALA B 75 6.623 14.067 -13.654 1.00 0.00 N ATOM 2669 CA ALA B 75 5.713 15.241 -13.591 1.00 0.00 C ATOM 2670 C ALA B 75 4.519 15.067 -14.537 1.00 0.00 C ATOM 2671 O ALA B 75 3.450 15.591 -14.292 1.00 0.00 O ATOM 2672 CB ALA B 75 6.484 16.520 -13.938 1.00 0.00 C ATOM 0 H ALA B 75 7.537 14.236 -14.074 1.00 0.00 H new ATOM 0 HA ALA B 75 5.327 15.320 -12.575 1.00 0.00 H new ATOM 0 HB1 ALA B 75 5.810 17.375 -13.890 1.00 0.00 H new ATOM 0 HB2 ALA B 75 7.298 16.659 -13.226 1.00 0.00 H new ATOM 0 HB3 ALA B 75 6.893 16.437 -14.945 1.00 0.00 H new ATOM 2678 N PHE B 76 4.682 14.349 -15.607 1.00 0.00 N ATOM 2679 CA PHE B 76 3.541 14.161 -16.558 1.00 0.00 C ATOM 2680 C PHE B 76 2.469 13.275 -15.929 1.00 0.00 C ATOM 2681 O PHE B 76 1.323 13.291 -16.318 1.00 0.00 O ATOM 2682 CB PHE B 76 4.052 13.494 -17.834 1.00 0.00 C ATOM 2683 CG PHE B 76 2.915 13.317 -18.818 1.00 0.00 C ATOM 2684 CD1 PHE B 76 2.355 14.434 -19.448 1.00 0.00 C ATOM 2685 CD2 PHE B 76 2.425 12.035 -19.107 1.00 0.00 C ATOM 2686 CE1 PHE B 76 1.311 14.274 -20.363 1.00 0.00 C ATOM 2687 CE2 PHE B 76 1.381 11.875 -20.026 1.00 0.00 C ATOM 2688 CZ PHE B 76 0.824 12.995 -20.654 1.00 0.00 C ATOM 0 H PHE B 76 5.550 13.883 -15.870 1.00 0.00 H new ATOM 0 HA PHE B 76 3.110 15.135 -16.790 1.00 0.00 H new ATOM 0 HB2 PHE B 76 4.839 14.101 -18.281 1.00 0.00 H new ATOM 0 HB3 PHE B 76 4.492 12.526 -17.597 1.00 0.00 H new ATOM 0 HD1 PHE B 76 2.731 15.422 -19.227 1.00 0.00 H new ATOM 0 HD2 PHE B 76 2.853 11.171 -18.620 1.00 0.00 H new ATOM 0 HE1 PHE B 76 0.880 15.138 -20.846 1.00 0.00 H new ATOM 0 HE2 PHE B 76 1.006 10.888 -20.250 1.00 0.00 H new ATOM 0 HZ PHE B 76 0.019 12.872 -21.363 1.00 0.00 H new ATOM 2698 N VAL B 77 2.844 12.479 -14.987 1.00 0.00 N ATOM 2699 CA VAL B 77 1.863 11.559 -14.342 1.00 0.00 C ATOM 2700 C VAL B 77 1.016 12.331 -13.332 1.00 0.00 C ATOM 2701 O VAL B 77 -0.142 12.030 -13.121 1.00 0.00 O ATOM 2702 CB VAL B 77 2.643 10.426 -13.646 1.00 0.00 C ATOM 2703 CG1 VAL B 77 1.840 9.121 -13.674 1.00 0.00 C ATOM 2704 CG2 VAL B 77 3.971 10.231 -14.381 1.00 0.00 C ATOM 0 H VAL B 77 3.796 12.418 -14.625 1.00 0.00 H new ATOM 0 HA VAL B 77 1.194 11.133 -15.090 1.00 0.00 H new ATOM 0 HB VAL B 77 2.821 10.694 -12.604 1.00 0.00 H new ATOM 0 HG11 VAL B 77 2.408 8.334 -13.178 1.00 0.00 H new ATOM 0 HG12 VAL B 77 0.892 9.266 -13.156 1.00 0.00 H new ATOM 0 HG13 VAL B 77 1.649 8.834 -14.708 1.00 0.00 H new ATOM 0 HG21 VAL B 77 4.538 9.432 -13.903 1.00 0.00 H new ATOM 0 HG22 VAL B 77 3.776 9.965 -15.420 1.00 0.00 H new ATOM 0 HG23 VAL B 77 4.546 11.156 -14.345 1.00 0.00 H new ATOM 2714 N SER B 78 1.583 13.315 -12.699 1.00 0.00 N ATOM 2715 CA SER B 78 0.803 14.091 -11.696 1.00 0.00 C ATOM 2716 C SER B 78 -0.229 14.976 -12.393 1.00 0.00 C ATOM 2717 O SER B 78 -1.336 15.138 -11.919 1.00 0.00 O ATOM 2718 CB SER B 78 1.750 14.972 -10.874 1.00 0.00 C ATOM 2719 OG SER B 78 1.064 16.147 -10.459 1.00 0.00 O ATOM 0 H SER B 78 2.549 13.616 -12.830 1.00 0.00 H new ATOM 0 HA SER B 78 0.287 13.391 -11.039 1.00 0.00 H new ATOM 0 HB2 SER B 78 2.112 14.423 -10.005 1.00 0.00 H new ATOM 0 HB3 SER B 78 2.624 15.239 -11.469 1.00 0.00 H new ATOM 0 HG SER B 78 1.306 16.892 -11.048 1.00 0.00 H new ATOM 2725 N MET B 79 0.123 15.581 -13.493 1.00 0.00 N ATOM 2726 CA MET B 79 -0.851 16.477 -14.169 1.00 0.00 C ATOM 2727 C MET B 79 -1.995 15.673 -14.803 1.00 0.00 C ATOM 2728 O MET B 79 -3.148 16.051 -14.715 1.00 0.00 O ATOM 2729 CB MET B 79 -0.120 17.304 -15.228 1.00 0.00 C ATOM 2730 CG MET B 79 0.267 16.413 -16.407 1.00 0.00 C ATOM 2731 SD MET B 79 1.439 17.291 -17.470 1.00 0.00 S ATOM 2732 CE MET B 79 0.297 18.561 -18.064 1.00 0.00 C ATOM 0 H MET B 79 1.032 15.495 -13.948 1.00 0.00 H new ATOM 0 HA MET B 79 -1.293 17.144 -13.429 1.00 0.00 H new ATOM 0 HB2 MET B 79 -0.758 18.118 -15.570 1.00 0.00 H new ATOM 0 HB3 MET B 79 0.772 17.758 -14.796 1.00 0.00 H new ATOM 0 HG2 MET B 79 0.712 15.486 -16.045 1.00 0.00 H new ATOM 0 HG3 MET B 79 -0.621 16.139 -16.976 1.00 0.00 H new ATOM 0 HE1 MET B 79 0.702 19.021 -18.965 1.00 0.00 H new ATOM 0 HE2 MET B 79 -0.667 18.106 -18.290 1.00 0.00 H new ATOM 0 HE3 MET B 79 0.167 19.322 -17.295 1.00 0.00 H new ATOM 2742 N VAL B 80 -1.706 14.569 -15.432 1.00 0.00 N ATOM 2743 CA VAL B 80 -2.811 13.778 -16.052 1.00 0.00 C ATOM 2744 C VAL B 80 -3.720 13.239 -14.950 1.00 0.00 C ATOM 2745 O VAL B 80 -4.922 13.158 -15.106 1.00 0.00 O ATOM 2746 CB VAL B 80 -2.264 12.602 -16.862 1.00 0.00 C ATOM 2747 CG1 VAL B 80 -3.424 11.938 -17.614 1.00 0.00 C ATOM 2748 CG2 VAL B 80 -1.213 13.085 -17.872 1.00 0.00 C ATOM 0 H VAL B 80 -0.769 14.182 -15.544 1.00 0.00 H new ATOM 0 HA VAL B 80 -3.366 14.433 -16.723 1.00 0.00 H new ATOM 0 HB VAL B 80 -1.793 11.889 -16.185 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -3.047 11.097 -18.196 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -4.164 11.581 -16.898 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -3.887 12.664 -18.283 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -0.835 12.234 -18.439 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -1.667 13.803 -18.555 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -0.389 13.561 -17.340 1.00 0.00 H new ATOM 2758 N THR B 81 -3.155 12.866 -13.836 1.00 0.00 N ATOM 2759 CA THR B 81 -3.990 12.328 -12.727 1.00 0.00 C ATOM 2760 C THR B 81 -4.993 13.389 -12.315 1.00 0.00 C ATOM 2761 O THR B 81 -6.136 13.103 -12.028 1.00 0.00 O ATOM 2762 CB THR B 81 -3.112 11.980 -11.526 1.00 0.00 C ATOM 2763 OG1 THR B 81 -2.267 10.891 -11.857 1.00 0.00 O ATOM 2764 CG2 THR B 81 -3.993 11.620 -10.317 1.00 0.00 C ATOM 0 H THR B 81 -2.154 12.910 -13.646 1.00 0.00 H new ATOM 0 HA THR B 81 -4.503 11.428 -13.065 1.00 0.00 H new ATOM 0 HB THR B 81 -2.498 12.842 -11.266 1.00 0.00 H new ATOM 0 HG1 THR B 81 -1.422 11.231 -12.220 1.00 0.00 H new ATOM 0 HG21 THR B 81 -3.359 11.373 -9.465 1.00 0.00 H new ATOM 0 HG22 THR B 81 -4.627 12.469 -10.063 1.00 0.00 H new ATOM 0 HG23 THR B 81 -4.618 10.762 -10.565 1.00 0.00 H new ATOM 2772 N THR B 82 -4.572 14.615 -12.285 1.00 0.00 N ATOM 2773 CA THR B 82 -5.496 15.704 -11.894 1.00 0.00 C ATOM 2774 C THR B 82 -6.756 15.582 -12.757 1.00 0.00 C ATOM 2775 O THR B 82 -7.869 15.678 -12.274 1.00 0.00 O ATOM 2776 CB THR B 82 -4.793 17.041 -12.155 1.00 0.00 C ATOM 2777 OG1 THR B 82 -3.413 16.907 -11.847 1.00 0.00 O ATOM 2778 CG2 THR B 82 -5.390 18.135 -11.281 1.00 0.00 C ATOM 0 H THR B 82 -3.624 14.911 -12.515 1.00 0.00 H new ATOM 0 HA THR B 82 -5.771 15.644 -10.841 1.00 0.00 H new ATOM 0 HB THR B 82 -4.925 17.311 -13.203 1.00 0.00 H new ATOM 0 HG1 THR B 82 -2.957 17.758 -12.013 1.00 0.00 H new ATOM 0 HG21 THR B 82 -4.880 19.078 -11.479 1.00 0.00 H new ATOM 0 HG22 THR B 82 -6.451 18.243 -11.507 1.00 0.00 H new ATOM 0 HG23 THR B 82 -5.267 17.869 -10.231 1.00 0.00 H new ATOM 2786 N ALA B 83 -6.580 15.312 -14.024 1.00 0.00 N ATOM 2787 CA ALA B 83 -7.757 15.128 -14.916 1.00 0.00 C ATOM 2788 C ALA B 83 -8.579 13.956 -14.378 1.00 0.00 C ATOM 2789 O ALA B 83 -9.794 13.965 -14.399 1.00 0.00 O ATOM 2790 CB ALA B 83 -7.286 14.812 -16.339 1.00 0.00 C ATOM 0 H ALA B 83 -5.672 15.211 -14.477 1.00 0.00 H new ATOM 0 HA ALA B 83 -8.358 16.037 -14.940 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -8.152 14.678 -16.988 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -6.677 15.635 -16.712 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -6.694 13.897 -16.331 1.00 0.00 H new ATOM 2796 N CYS B 84 -7.909 12.944 -13.896 1.00 0.00 N ATOM 2797 CA CYS B 84 -8.618 11.754 -13.352 1.00 0.00 C ATOM 2798 C CYS B 84 -9.526 12.173 -12.189 1.00 0.00 C ATOM 2799 O CYS B 84 -10.576 11.605 -11.986 1.00 0.00 O ATOM 2800 CB CYS B 84 -7.588 10.731 -12.859 1.00 0.00 C ATOM 2801 SG CYS B 84 -8.358 9.096 -12.763 1.00 0.00 S ATOM 0 H CYS B 84 -6.891 12.892 -13.856 1.00 0.00 H new ATOM 0 HA CYS B 84 -9.229 11.308 -14.137 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -6.734 10.703 -13.536 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -7.209 11.024 -11.880 1.00 0.00 H new ATOM 0 HG CYS B 84 -7.484 8.228 -12.347 1.00 0.00 H new ATOM 2807 N HIS B 85 -9.140 13.160 -11.422 1.00 0.00 N ATOM 2808 CA HIS B 85 -10.009 13.585 -10.288 1.00 0.00 C ATOM 2809 C HIS B 85 -11.361 14.026 -10.839 1.00 0.00 C ATOM 2810 O HIS B 85 -12.396 13.700 -10.293 1.00 0.00 O ATOM 2811 CB HIS B 85 -9.352 14.743 -9.539 1.00 0.00 C ATOM 2812 CG HIS B 85 -10.276 15.241 -8.459 1.00 0.00 C ATOM 2813 ND1 HIS B 85 -11.258 16.191 -8.710 1.00 0.00 N ATOM 2814 CD2 HIS B 85 -10.375 14.942 -7.122 1.00 0.00 C ATOM 2815 CE1 HIS B 85 -11.898 16.429 -7.550 1.00 0.00 C ATOM 2816 NE2 HIS B 85 -11.399 15.695 -6.554 1.00 0.00 N ATOM 0 H HIS B 85 -8.271 13.684 -11.531 1.00 0.00 H new ATOM 0 HA HIS B 85 -10.147 12.753 -9.598 1.00 0.00 H new ATOM 0 HB2 HIS B 85 -8.409 14.417 -9.101 1.00 0.00 H new ATOM 0 HB3 HIS B 85 -9.119 15.551 -10.232 1.00 0.00 H new ATOM 0 HD2 HIS B 85 -9.755 14.233 -6.594 1.00 0.00 H new ATOM 0 HE1 HIS B 85 -12.714 17.128 -7.439 1.00 0.00 H new ATOM 0 HE2 HIS B 85 -11.704 15.687 -5.581 1.00 0.00 H new ATOM 2825 N GLU B 86 -11.374 14.733 -11.934 1.00 0.00 N ATOM 2826 CA GLU B 86 -12.684 15.143 -12.514 1.00 0.00 C ATOM 2827 C GLU B 86 -13.471 13.890 -12.893 1.00 0.00 C ATOM 2828 O GLU B 86 -14.673 13.828 -12.730 1.00 0.00 O ATOM 2829 CB GLU B 86 -12.482 16.011 -13.763 1.00 0.00 C ATOM 2830 CG GLU B 86 -11.936 17.384 -13.364 1.00 0.00 C ATOM 2831 CD GLU B 86 -10.471 17.254 -12.966 1.00 0.00 C ATOM 2832 OE1 GLU B 86 -9.916 16.195 -13.190 1.00 0.00 O ATOM 2833 OE2 GLU B 86 -9.929 18.214 -12.444 1.00 0.00 O ATOM 0 H GLU B 86 -10.548 15.041 -12.447 1.00 0.00 H new ATOM 0 HA GLU B 86 -13.230 15.727 -11.773 1.00 0.00 H new ATOM 0 HB2 GLU B 86 -11.791 15.521 -14.449 1.00 0.00 H new ATOM 0 HB3 GLU B 86 -13.428 16.126 -14.292 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -12.037 18.083 -14.195 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -12.514 17.790 -12.534 1.00 0.00 H new ATOM 2840 N PHE B 87 -12.802 12.896 -13.412 1.00 0.00 N ATOM 2841 CA PHE B 87 -13.517 11.651 -13.818 1.00 0.00 C ATOM 2842 C PHE B 87 -13.740 10.758 -12.602 1.00 0.00 C ATOM 2843 O PHE B 87 -14.787 10.164 -12.438 1.00 0.00 O ATOM 2844 CB PHE B 87 -12.679 10.894 -14.848 1.00 0.00 C ATOM 2845 CG PHE B 87 -12.668 11.661 -16.149 1.00 0.00 C ATOM 2846 CD1 PHE B 87 -13.815 11.689 -16.951 1.00 0.00 C ATOM 2847 CD2 PHE B 87 -11.514 12.344 -16.553 1.00 0.00 C ATOM 2848 CE1 PHE B 87 -13.808 12.399 -18.157 1.00 0.00 C ATOM 2849 CE2 PHE B 87 -11.507 13.053 -17.760 1.00 0.00 C ATOM 2850 CZ PHE B 87 -12.654 13.081 -18.562 1.00 0.00 C ATOM 0 H PHE B 87 -11.795 12.891 -13.572 1.00 0.00 H new ATOM 0 HA PHE B 87 -14.481 11.920 -14.251 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -11.661 10.765 -14.481 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -13.090 9.897 -15.005 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -14.705 11.163 -16.639 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -10.630 12.324 -15.933 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -14.693 12.421 -18.776 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -10.617 13.578 -18.072 1.00 0.00 H new ATOM 0 HZ PHE B 87 -12.649 13.628 -19.493 1.00 0.00 H new ATOM 2860 N PHE B 88 -12.763 10.662 -11.744 1.00 0.00 N ATOM 2861 CA PHE B 88 -12.907 9.814 -10.529 1.00 0.00 C ATOM 2862 C PHE B 88 -13.358 10.699 -9.372 1.00 0.00 C ATOM 2863 O PHE B 88 -12.626 10.930 -8.429 1.00 0.00 O ATOM 2864 CB PHE B 88 -11.554 9.167 -10.203 1.00 0.00 C ATOM 2865 CG PHE B 88 -11.620 8.476 -8.855 1.00 0.00 C ATOM 2866 CD1 PHE B 88 -12.569 7.470 -8.625 1.00 0.00 C ATOM 2867 CD2 PHE B 88 -10.730 8.841 -7.833 1.00 0.00 C ATOM 2868 CE1 PHE B 88 -12.630 6.834 -7.380 1.00 0.00 C ATOM 2869 CE2 PHE B 88 -10.792 8.203 -6.589 1.00 0.00 C ATOM 2870 CZ PHE B 88 -11.742 7.201 -6.362 1.00 0.00 C ATOM 0 H PHE B 88 -11.865 11.138 -11.833 1.00 0.00 H new ATOM 0 HA PHE B 88 -13.643 9.028 -10.696 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -11.290 8.447 -10.977 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -10.772 9.926 -10.194 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -13.254 7.185 -9.410 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -9.997 9.615 -8.007 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -13.362 6.060 -7.205 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -10.106 8.484 -5.804 1.00 0.00 H new ATOM 0 HZ PHE B 88 -11.790 6.711 -5.401 1.00 0.00 H new ATOM 3114 N ARG X 104 16.987 21.593 6.895 1.00 0.00 N ATOM 3115 CA ARG X 104 16.394 20.371 6.282 1.00 0.00 C ATOM 3116 C ARG X 104 15.581 20.761 5.039 1.00 0.00 C ATOM 3117 O ARG X 104 15.496 20.016 4.077 1.00 0.00 O ATOM 3118 CB ARG X 104 15.464 19.696 7.297 1.00 0.00 C ATOM 3119 CG ARG X 104 14.579 20.761 7.994 1.00 0.00 C ATOM 3120 CD ARG X 104 13.158 20.228 8.176 1.00 0.00 C ATOM 3121 NE ARG X 104 12.527 20.078 6.833 1.00 0.00 N ATOM 3122 CZ ARG X 104 11.414 19.413 6.697 1.00 0.00 C ATOM 3123 NH1 ARG X 104 10.825 18.902 7.743 1.00 0.00 N ATOM 3124 NH2 ARG X 104 10.885 19.266 5.513 1.00 0.00 N ATOM 0 HA ARG X 104 17.192 19.686 5.997 1.00 0.00 H new ATOM 0 HB2 ARG X 104 14.835 18.961 6.794 1.00 0.00 H new ATOM 0 HB3 ARG X 104 16.052 19.157 8.040 1.00 0.00 H new ATOM 0 HG2 ARG X 104 15.005 21.021 8.963 1.00 0.00 H new ATOM 0 HG3 ARG X 104 14.559 21.674 7.399 1.00 0.00 H new ATOM 0 HD2 ARG X 104 13.178 19.269 8.693 1.00 0.00 H new ATOM 0 HD3 ARG X 104 12.575 20.911 8.793 1.00 0.00 H new ATOM 0 HE ARG X 104 12.969 20.498 6.016 1.00 0.00 H new ATOM 0 HH11 ARG X 104 11.235 19.023 8.669 1.00 0.00 H new ATOM 0 HH12 ARG X 104 9.954 18.382 7.635 1.00 0.00 H new ATOM 0 HH21 ARG X 104 11.342 19.671 4.696 1.00 0.00 H new ATOM 0 HH22 ARG X 104 10.014 18.746 5.404 1.00 0.00 H new ATOM 3138 N HIS X 105 14.980 21.923 5.050 1.00 0.00 N ATOM 3139 CA HIS X 105 14.174 22.348 3.872 1.00 0.00 C ATOM 3140 C HIS X 105 15.083 22.402 2.643 1.00 0.00 C ATOM 3141 O HIS X 105 14.702 22.011 1.559 1.00 0.00 O ATOM 3142 CB HIS X 105 13.571 23.738 4.131 1.00 0.00 C ATOM 3143 CG HIS X 105 14.654 24.786 4.100 1.00 0.00 C ATOM 3144 ND1 HIS X 105 15.275 25.426 3.057 1.00 0.00 N flip ATOM 3145 CD2 HIS X 105 15.234 25.292 5.255 1.00 0.00 C flip ATOM 3146 CE1 HIS X 105 16.223 26.311 3.554 1.00 0.00 C flip ATOM 3147 NE2 HIS X 105 16.161 26.194 4.881 1.00 0.00 N flip ATOM 0 H HIS X 105 15.013 22.591 5.820 1.00 0.00 H new ATOM 0 HA HIS X 105 13.366 21.637 3.702 1.00 0.00 H new ATOM 0 HB2 HIS X 105 12.816 23.962 3.377 1.00 0.00 H new ATOM 0 HB3 HIS X 105 13.069 23.751 5.099 1.00 0.00 H new ATOM 0 HD2 HIS X 105 14.987 25.013 6.269 1.00 0.00 H new ATOM 0 HE1 HIS X 105 16.874 26.958 2.985 1.00 0.00 H new ATOM 0 HE2 HIS X 105 16.743 26.722 5.531 1.00 0.00 H new ATOM 3156 N LYS X 106 16.286 22.878 2.811 1.00 0.00 N ATOM 3157 CA LYS X 106 17.225 22.959 1.661 1.00 0.00 C ATOM 3158 C LYS X 106 17.458 21.558 1.095 1.00 0.00 C ATOM 3159 O LYS X 106 17.687 21.391 -0.086 1.00 0.00 O ATOM 3160 CB LYS X 106 18.555 23.569 2.110 1.00 0.00 C ATOM 3161 CG LYS X 106 19.467 23.723 0.891 1.00 0.00 C ATOM 3162 CD LYS X 106 20.788 24.368 1.302 1.00 0.00 C ATOM 3163 CE LYS X 106 21.676 24.508 0.065 1.00 0.00 C ATOM 3164 NZ LYS X 106 23.077 24.789 0.488 1.00 0.00 N ATOM 0 H LYS X 106 16.659 23.215 3.699 1.00 0.00 H new ATOM 0 HA LYS X 106 16.792 23.594 0.888 1.00 0.00 H new ATOM 0 HB2 LYS X 106 18.386 24.538 2.579 1.00 0.00 H new ATOM 0 HB3 LYS X 106 19.029 22.932 2.857 1.00 0.00 H new ATOM 0 HG2 LYS X 106 19.654 22.748 0.442 1.00 0.00 H new ATOM 0 HG3 LYS X 106 18.975 24.334 0.134 1.00 0.00 H new ATOM 0 HD2 LYS X 106 20.607 25.346 1.749 1.00 0.00 H new ATOM 0 HD3 LYS X 106 21.286 23.759 2.057 1.00 0.00 H new ATOM 0 HE2 LYS X 106 21.640 23.593 -0.527 1.00 0.00 H new ATOM 0 HE3 LYS X 106 21.308 25.314 -0.570 1.00 0.00 H new ATOM 0 HZ1 LYS X 106 23.681 24.884 -0.353 1.00 0.00 H new ATOM 0 HZ2 LYS X 106 23.104 25.673 1.035 1.00 0.00 H new ATOM 0 HZ3 LYS X 106 23.425 24.006 1.077 1.00 0.00 H new ATOM 3178 N LYS X 107 17.416 20.545 1.918 1.00 0.00 N ATOM 3179 CA LYS X 107 17.643 19.171 1.389 1.00 0.00 C ATOM 3180 C LYS X 107 16.581 18.866 0.335 1.00 0.00 C ATOM 3181 O LYS X 107 16.865 18.284 -0.692 1.00 0.00 O ATOM 3182 CB LYS X 107 17.546 18.154 2.530 1.00 0.00 C ATOM 3183 CG LYS X 107 17.782 16.745 1.980 1.00 0.00 C ATOM 3184 CD LYS X 107 17.975 15.762 3.140 1.00 0.00 C ATOM 3185 CE LYS X 107 16.697 15.683 3.986 1.00 0.00 C ATOM 3186 NZ LYS X 107 16.650 16.828 4.942 1.00 0.00 N ATOM 0 H LYS X 107 17.237 20.608 2.920 1.00 0.00 H new ATOM 0 HA LYS X 107 18.635 19.107 0.943 1.00 0.00 H new ATOM 0 HB2 LYS X 107 18.283 18.384 3.300 1.00 0.00 H new ATOM 0 HB3 LYS X 107 16.565 18.212 3.001 1.00 0.00 H new ATOM 0 HG2 LYS X 107 16.935 16.437 1.367 1.00 0.00 H new ATOM 0 HG3 LYS X 107 18.661 16.739 1.335 1.00 0.00 H new ATOM 0 HD2 LYS X 107 18.224 14.775 2.752 1.00 0.00 H new ATOM 0 HD3 LYS X 107 18.812 16.081 3.761 1.00 0.00 H new ATOM 0 HE2 LYS X 107 15.820 15.702 3.339 1.00 0.00 H new ATOM 0 HE3 LYS X 107 16.670 14.740 4.532 1.00 0.00 H new ATOM 0 HZ1 LYS X 107 16.436 16.475 5.896 1.00 0.00 H new ATOM 0 HZ2 LYS X 107 17.571 17.311 4.950 1.00 0.00 H new ATOM 0 HZ3 LYS X 107 15.911 17.497 4.646 1.00 0.00 H new ATOM 3200 N LEU X 108 15.360 19.269 0.569 1.00 0.00 N ATOM 3201 CA LEU X 108 14.285 19.018 -0.437 1.00 0.00 C ATOM 3202 C LEU X 108 14.452 19.991 -1.615 1.00 0.00 C ATOM 3203 O LEU X 108 14.016 19.726 -2.721 1.00 0.00 O ATOM 3204 CB LEU X 108 12.906 19.198 0.210 1.00 0.00 C ATOM 3205 CG LEU X 108 11.793 18.941 -0.820 1.00 0.00 C ATOM 3206 CD1 LEU X 108 11.878 17.499 -1.351 1.00 0.00 C ATOM 3207 CD2 LEU X 108 10.433 19.164 -0.150 1.00 0.00 C ATOM 0 H LEU X 108 15.060 19.760 1.411 1.00 0.00 H new ATOM 0 HA LEU X 108 14.364 17.995 -0.804 1.00 0.00 H new ATOM 0 HB2 LEU X 108 12.799 18.511 1.050 1.00 0.00 H new ATOM 0 HB3 LEU X 108 12.814 20.208 0.610 1.00 0.00 H new ATOM 0 HG LEU X 108 11.913 19.628 -1.658 1.00 0.00 H new ATOM 0 HD11 LEU X 108 11.084 17.332 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU X 108 12.846 17.343 -1.828 1.00 0.00 H new ATOM 0 HD13 LEU X 108 11.764 16.799 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU X 108 9.637 18.984 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU X 108 10.324 18.477 0.689 1.00 0.00 H new ATOM 0 HD23 LEU X 108 10.369 20.190 0.211 1.00 0.00 H new ATOM 3219 N MET X 109 15.072 21.119 -1.393 1.00 0.00 N ATOM 3220 CA MET X 109 15.249 22.096 -2.504 1.00 0.00 C ATOM 3221 C MET X 109 16.058 21.467 -3.640 1.00 0.00 C ATOM 3222 O MET X 109 15.946 21.873 -4.779 1.00 0.00 O ATOM 3223 CB MET X 109 15.953 23.360 -1.999 1.00 0.00 C ATOM 3224 CG MET X 109 15.023 24.123 -1.051 1.00 0.00 C ATOM 3225 SD MET X 109 13.571 24.723 -1.963 1.00 0.00 S ATOM 3226 CE MET X 109 12.291 24.029 -0.882 1.00 0.00 C ATOM 0 H MET X 109 15.462 21.405 -0.495 1.00 0.00 H new ATOM 0 HA MET X 109 14.264 22.370 -2.881 1.00 0.00 H new ATOM 0 HB2 MET X 109 16.875 23.093 -1.483 1.00 0.00 H new ATOM 0 HB3 MET X 109 16.231 23.994 -2.841 1.00 0.00 H new ATOM 0 HG2 MET X 109 14.708 23.473 -0.235 1.00 0.00 H new ATOM 0 HG3 MET X 109 15.555 24.962 -0.603 1.00 0.00 H new ATOM 0 HE1 MET X 109 11.318 24.431 -1.165 1.00 0.00 H new ATOM 0 HE2 MET X 109 12.279 22.944 -0.983 1.00 0.00 H new ATOM 0 HE3 MET X 109 12.506 24.294 0.153 1.00 0.00 H new ATOM 3236 N PHE X 110 16.869 20.479 -3.360 1.00 0.00 N ATOM 3237 CA PHE X 110 17.655 19.857 -4.461 1.00 0.00 C ATOM 3238 C PHE X 110 16.670 19.439 -5.549 1.00 0.00 C ATOM 3239 O PHE X 110 16.993 19.374 -6.718 1.00 0.00 O ATOM 3240 CB PHE X 110 18.457 18.649 -3.925 1.00 0.00 C ATOM 3241 CG PHE X 110 17.602 17.389 -3.825 1.00 0.00 C ATOM 3242 CD1 PHE X 110 16.340 17.428 -3.220 1.00 0.00 C ATOM 3243 CD2 PHE X 110 18.093 16.173 -4.323 1.00 0.00 C ATOM 3244 CE1 PHE X 110 15.572 16.264 -3.113 1.00 0.00 C ATOM 3245 CE2 PHE X 110 17.322 15.008 -4.218 1.00 0.00 C ATOM 3246 CZ PHE X 110 16.061 15.055 -3.612 1.00 0.00 C ATOM 0 H PHE X 110 17.018 20.083 -2.432 1.00 0.00 H new ATOM 0 HA PHE X 110 18.378 20.561 -4.873 1.00 0.00 H new ATOM 0 HB2 PHE X 110 19.306 18.459 -4.581 1.00 0.00 H new ATOM 0 HB3 PHE X 110 18.861 18.891 -2.942 1.00 0.00 H new ATOM 0 HD1 PHE X 110 15.958 18.361 -2.834 1.00 0.00 H new ATOM 0 HD2 PHE X 110 19.067 16.135 -4.788 1.00 0.00 H new ATOM 0 HE1 PHE X 110 14.600 16.300 -2.644 1.00 0.00 H new ATOM 0 HE2 PHE X 110 17.701 14.073 -4.605 1.00 0.00 H new ATOM 0 HZ PHE X 110 15.467 14.157 -3.530 1.00 0.00 H new ATOM 3256 N LYS X 111 15.454 19.188 -5.156 1.00 0.00 N ATOM 3257 CA LYS X 111 14.403 18.805 -6.131 1.00 0.00 C ATOM 3258 C LYS X 111 14.001 20.035 -6.952 1.00 0.00 C ATOM 3259 O LYS X 111 13.812 19.963 -8.150 1.00 0.00 O ATOM 3260 CB LYS X 111 13.192 18.279 -5.349 1.00 0.00 C ATOM 3261 CG LYS X 111 12.304 17.397 -6.248 1.00 0.00 C ATOM 3262 CD LYS X 111 13.021 16.113 -6.733 1.00 0.00 C ATOM 3263 CE LYS X 111 13.952 15.531 -5.663 1.00 0.00 C ATOM 3264 NZ LYS X 111 14.353 14.152 -6.058 1.00 0.00 N ATOM 0 H LYS X 111 15.142 19.233 -4.186 1.00 0.00 H new ATOM 0 HA LYS X 111 14.771 18.034 -6.808 1.00 0.00 H new ATOM 0 HB2 LYS X 111 13.531 17.704 -4.488 1.00 0.00 H new ATOM 0 HB3 LYS X 111 12.610 19.116 -4.964 1.00 0.00 H new ATOM 0 HG2 LYS X 111 11.404 17.119 -5.700 1.00 0.00 H new ATOM 0 HG3 LYS X 111 11.984 17.977 -7.114 1.00 0.00 H new ATOM 0 HD2 LYS X 111 12.277 15.366 -7.010 1.00 0.00 H new ATOM 0 HD3 LYS X 111 13.597 16.338 -7.631 1.00 0.00 H new ATOM 0 HE2 LYS X 111 14.835 16.161 -5.551 1.00 0.00 H new ATOM 0 HE3 LYS X 111 13.448 15.513 -4.697 1.00 0.00 H new ATOM 0 HZ1 LYS X 111 14.842 13.692 -5.264 1.00 0.00 H new ATOM 0 HZ2 LYS X 111 13.506 13.603 -6.309 1.00 0.00 H new ATOM 0 HZ3 LYS X 111 14.991 14.197 -6.878 1.00 0.00 H new ATOM 3278 N THR X 112 13.866 21.163 -6.307 1.00 0.00 N ATOM 3279 CA THR X 112 13.471 22.403 -7.039 1.00 0.00 C ATOM 3280 C THR X 112 14.515 22.722 -8.110 1.00 0.00 C ATOM 3281 O THR X 112 14.197 23.213 -9.174 1.00 0.00 O ATOM 3282 CB THR X 112 13.371 23.574 -6.059 1.00 0.00 C ATOM 3283 OG1 THR X 112 14.635 23.790 -5.448 1.00 0.00 O ATOM 3284 CG2 THR X 112 12.332 23.257 -4.985 1.00 0.00 C ATOM 0 H THR X 112 14.012 21.280 -5.304 1.00 0.00 H new ATOM 0 HA THR X 112 12.502 22.245 -7.512 1.00 0.00 H new ATOM 0 HB THR X 112 13.070 24.472 -6.598 1.00 0.00 H new ATOM 0 HG1 THR X 112 15.153 22.958 -5.465 1.00 0.00 H new ATOM 0 HG21 THR X 112 12.262 24.092 -4.288 1.00 0.00 H new ATOM 0 HG22 THR X 112 11.362 23.094 -5.454 1.00 0.00 H new ATOM 0 HG23 THR X 112 12.629 22.358 -4.445 1.00 0.00 H new ATOM 3292 N GLU X 113 15.761 22.454 -7.833 1.00 0.00 N ATOM 3293 CA GLU X 113 16.827 22.747 -8.832 1.00 0.00 C ATOM 3294 CB GLU X 113 16.714 21.769 -10.006 1.00 0.00 C ATOM 3295 CG GLU X 113 16.894 20.337 -9.496 1.00 0.00 C ATOM 3296 CD GLU X 113 16.797 19.360 -10.670 1.00 0.00 C ATOM 3297 OE1 GLU X 113 15.686 19.043 -11.064 1.00 0.00 O ATOM 3298 OE2 GLU X 113 17.837 18.944 -11.155 1.00 0.00 O ATOM 0 H GLU X 113 16.087 22.045 -6.958 1.00 0.00 H new ATOM 0 HB2 GLU X 113 15.743 21.875 -10.489 1.00 0.00 H new ATOM 0 HB3 GLU X 113 17.470 21.997 -10.757 1.00 0.00 H new ATOM 0 HG2 GLU X 113 17.861 20.234 -9.003 1.00 0.00 H new ATOM 0 HG3 GLU X 113 16.131 20.106 -8.753 1.00 0.00 H new ATOM 3493 N ARG Y 104 -7.212 15.640 -30.452 1.00 0.00 N ATOM 3494 CA ARG Y 104 -7.291 15.020 -29.098 1.00 0.00 C ATOM 3495 C ARG Y 104 -6.163 15.568 -28.217 1.00 0.00 C ATOM 3496 O ARG Y 104 -6.306 15.705 -27.013 1.00 0.00 O ATOM 3497 CB ARG Y 104 -7.133 13.500 -29.224 1.00 0.00 C ATOM 3498 CG ARG Y 104 -5.983 13.168 -30.207 1.00 0.00 C ATOM 3499 CD ARG Y 104 -5.168 11.984 -29.686 1.00 0.00 C ATOM 3500 NE ARG Y 104 -4.466 12.398 -28.436 1.00 0.00 N ATOM 3501 CZ ARG Y 104 -3.918 11.505 -27.661 1.00 0.00 C ATOM 3502 NH1 ARG Y 104 -3.955 10.246 -27.988 1.00 0.00 N ATOM 3503 NH2 ARG Y 104 -3.329 11.875 -26.557 1.00 0.00 N ATOM 0 HA ARG Y 104 -8.256 15.256 -28.649 1.00 0.00 H new ATOM 0 HB2 ARG Y 104 -6.924 13.065 -28.246 1.00 0.00 H new ATOM 0 HB3 ARG Y 104 -8.064 13.057 -29.577 1.00 0.00 H new ATOM 0 HG2 ARG Y 104 -6.391 12.933 -31.190 1.00 0.00 H new ATOM 0 HG3 ARG Y 104 -5.337 14.038 -30.330 1.00 0.00 H new ATOM 0 HD2 ARG Y 104 -5.821 11.134 -29.489 1.00 0.00 H new ATOM 0 HD3 ARG Y 104 -4.445 11.663 -30.436 1.00 0.00 H new ATOM 0 HE ARG Y 104 -4.415 13.386 -28.187 1.00 0.00 H new ATOM 0 HH11 ARG Y 104 -4.413 9.957 -28.852 1.00 0.00 H new ATOM 0 HH12 ARG Y 104 -3.526 9.548 -27.380 1.00 0.00 H new ATOM 0 HH21 ARG Y 104 -3.298 12.862 -26.302 1.00 0.00 H new ATOM 0 HH22 ARG Y 104 -2.900 11.177 -25.949 1.00 0.00 H new ATOM 3517 N HIS Y 105 -5.037 15.876 -28.803 1.00 0.00 N ATOM 3518 CA HIS Y 105 -3.907 16.406 -27.994 1.00 0.00 C ATOM 3519 C HIS Y 105 -4.349 17.700 -27.312 1.00 0.00 C ATOM 3520 O HIS Y 105 -4.031 17.952 -26.170 1.00 0.00 O ATOM 3521 CB HIS Y 105 -2.701 16.683 -28.903 1.00 0.00 C ATOM 3522 CG HIS Y 105 -2.978 17.878 -29.780 1.00 0.00 C ATOM 3523 ND1 HIS Y 105 -2.909 19.227 -29.533 1.00 0.00 N flip ATOM 3524 CD2 HIS Y 105 -3.391 17.755 -31.099 1.00 0.00 C flip ATOM 3525 CE1 HIS Y 105 -3.272 19.927 -30.678 1.00 0.00 C flip ATOM 3526 NE2 HIS Y 105 -3.554 18.997 -31.591 1.00 0.00 N flip ATOM 0 H HIS Y 105 -4.853 15.783 -29.802 1.00 0.00 H new ATOM 0 HA HIS Y 105 -3.619 15.673 -27.240 1.00 0.00 H new ATOM 0 HB2 HIS Y 105 -1.813 16.864 -28.297 1.00 0.00 H new ATOM 0 HB3 HIS Y 105 -2.493 15.809 -29.520 1.00 0.00 H new ATOM 0 HD2 HIS Y 105 -3.552 16.831 -31.634 1.00 0.00 H new ATOM 0 HE1 HIS Y 105 -3.316 20.999 -30.802 1.00 0.00 H new ATOM 0 HE2 HIS Y 105 -3.856 19.201 -32.544 1.00 0.00 H new ATOM 3535 N LYS Y 106 -5.084 18.520 -28.012 1.00 0.00 N ATOM 3536 CA LYS Y 106 -5.550 19.800 -27.416 1.00 0.00 C ATOM 3537 C LYS Y 106 -6.400 19.506 -26.179 1.00 0.00 C ATOM 3538 O LYS Y 106 -6.425 20.275 -25.240 1.00 0.00 O ATOM 3539 CB LYS Y 106 -6.374 20.586 -28.436 1.00 0.00 C ATOM 3540 CG LYS Y 106 -6.755 21.938 -27.831 1.00 0.00 C ATOM 3541 CD LYS Y 106 -7.547 22.762 -28.844 1.00 0.00 C ATOM 3542 CE LYS Y 106 -7.911 24.106 -28.213 1.00 0.00 C ATOM 3543 NZ LYS Y 106 -8.976 24.763 -29.022 1.00 0.00 N ATOM 0 H LYS Y 106 -5.382 18.356 -28.974 1.00 0.00 H new ATOM 0 HA LYS Y 106 -4.684 20.397 -27.129 1.00 0.00 H new ATOM 0 HB2 LYS Y 106 -5.801 20.731 -29.352 1.00 0.00 H new ATOM 0 HB3 LYS Y 106 -7.271 20.028 -28.706 1.00 0.00 H new ATOM 0 HG2 LYS Y 106 -7.349 21.787 -26.929 1.00 0.00 H new ATOM 0 HG3 LYS Y 106 -5.856 22.479 -27.534 1.00 0.00 H new ATOM 0 HD2 LYS Y 106 -6.957 22.917 -29.747 1.00 0.00 H new ATOM 0 HD3 LYS Y 106 -8.450 22.228 -29.141 1.00 0.00 H new ATOM 0 HE2 LYS Y 106 -8.256 23.958 -27.190 1.00 0.00 H new ATOM 0 HE3 LYS Y 106 -7.030 24.747 -28.163 1.00 0.00 H new ATOM 0 HZ1 LYS Y 106 -9.224 25.677 -28.593 1.00 0.00 H new ATOM 0 HZ2 LYS Y 106 -8.631 24.917 -29.991 1.00 0.00 H new ATOM 0 HZ3 LYS Y 106 -9.818 24.153 -29.048 1.00 0.00 H new ATOM 3557 N LYS Y 107 -7.102 18.408 -26.164 1.00 0.00 N ATOM 3558 CA LYS Y 107 -7.939 18.101 -24.974 1.00 0.00 C ATOM 3559 C LYS Y 107 -7.035 18.006 -23.745 1.00 0.00 C ATOM 3560 O LYS Y 107 -7.373 18.480 -22.679 1.00 0.00 O ATOM 3561 CB LYS Y 107 -8.668 16.770 -25.181 1.00 0.00 C ATOM 3562 CG LYS Y 107 -9.528 16.464 -23.951 1.00 0.00 C ATOM 3563 CD LYS Y 107 -10.474 15.295 -24.252 1.00 0.00 C ATOM 3564 CE LYS Y 107 -9.667 14.024 -24.542 1.00 0.00 C ATOM 3565 NZ LYS Y 107 -9.198 14.044 -25.957 1.00 0.00 N ATOM 0 H LYS Y 107 -7.132 17.718 -26.915 1.00 0.00 H new ATOM 0 HA LYS Y 107 -8.677 18.890 -24.831 1.00 0.00 H new ATOM 0 HB2 LYS Y 107 -9.293 16.820 -26.072 1.00 0.00 H new ATOM 0 HB3 LYS Y 107 -7.947 15.969 -25.342 1.00 0.00 H new ATOM 0 HG2 LYS Y 107 -8.890 16.217 -23.103 1.00 0.00 H new ATOM 0 HG3 LYS Y 107 -10.104 17.346 -23.671 1.00 0.00 H new ATOM 0 HD2 LYS Y 107 -11.138 15.127 -23.404 1.00 0.00 H new ATOM 0 HD3 LYS Y 107 -11.104 15.538 -25.108 1.00 0.00 H new ATOM 0 HE2 LYS Y 107 -8.814 13.960 -23.866 1.00 0.00 H new ATOM 0 HE3 LYS Y 107 -10.282 13.142 -24.364 1.00 0.00 H new ATOM 0 HZ1 LYS Y 107 -9.233 13.081 -26.348 1.00 0.00 H new ATOM 0 HZ2 LYS Y 107 -9.813 14.668 -26.518 1.00 0.00 H new ATOM 0 HZ3 LYS Y 107 -8.220 14.397 -25.994 1.00 0.00 H new ATOM 3579 N LEU Y 108 -5.880 17.415 -23.886 1.00 0.00 N ATOM 3580 CA LEU Y 108 -4.948 17.312 -22.723 1.00 0.00 C ATOM 3581 C LEU Y 108 -4.291 18.680 -22.475 1.00 0.00 C ATOM 3582 O LEU Y 108 -3.859 18.985 -21.378 1.00 0.00 O ATOM 3583 CB LEU Y 108 -3.874 16.258 -23.008 1.00 0.00 C ATOM 3584 CG LEU Y 108 -2.911 16.137 -21.814 1.00 0.00 C ATOM 3585 CD1 LEU Y 108 -3.681 15.710 -20.549 1.00 0.00 C ATOM 3586 CD2 LEU Y 108 -1.836 15.090 -22.145 1.00 0.00 C ATOM 0 H LEU Y 108 -5.540 16.999 -24.753 1.00 0.00 H new ATOM 0 HA LEU Y 108 -5.506 17.013 -21.835 1.00 0.00 H new ATOM 0 HB2 LEU Y 108 -4.344 15.294 -23.203 1.00 0.00 H new ATOM 0 HB3 LEU Y 108 -3.318 16.529 -23.906 1.00 0.00 H new ATOM 0 HG LEU Y 108 -2.443 17.103 -21.627 1.00 0.00 H new ATOM 0 HD11 LEU Y 108 -2.988 15.628 -19.712 1.00 0.00 H new ATOM 0 HD12 LEU Y 108 -4.443 16.455 -20.318 1.00 0.00 H new ATOM 0 HD13 LEU Y 108 -4.157 14.745 -20.721 1.00 0.00 H new ATOM 0 HD21 LEU Y 108 -1.148 14.997 -21.305 1.00 0.00 H new ATOM 0 HD22 LEU Y 108 -2.311 14.127 -22.333 1.00 0.00 H new ATOM 0 HD23 LEU Y 108 -1.285 15.402 -23.032 1.00 0.00 H new ATOM 3598 N MET Y 109 -4.203 19.506 -23.481 1.00 0.00 N ATOM 3599 CA MET Y 109 -3.567 20.840 -23.292 1.00 0.00 C ATOM 3600 C MET Y 109 -4.328 21.645 -22.238 1.00 0.00 C ATOM 3601 O MET Y 109 -3.774 22.524 -21.608 1.00 0.00 O ATOM 3602 CB MET Y 109 -3.534 21.611 -24.616 1.00 0.00 C ATOM 3603 CG MET Y 109 -2.563 20.927 -25.583 1.00 0.00 C ATOM 3604 SD MET Y 109 -0.870 21.045 -24.938 1.00 0.00 S ATOM 3605 CE MET Y 109 -0.426 19.293 -25.071 1.00 0.00 C ATOM 0 H MET Y 109 -4.543 19.315 -24.424 1.00 0.00 H new ATOM 0 HA MET Y 109 -2.543 20.688 -22.950 1.00 0.00 H new ATOM 0 HB2 MET Y 109 -4.532 21.648 -25.052 1.00 0.00 H new ATOM 0 HB3 MET Y 109 -3.224 22.641 -24.441 1.00 0.00 H new ATOM 0 HG2 MET Y 109 -2.841 19.881 -25.713 1.00 0.00 H new ATOM 0 HG3 MET Y 109 -2.622 21.397 -26.565 1.00 0.00 H new ATOM 0 HE1 MET Y 109 0.631 19.167 -24.837 1.00 0.00 H new ATOM 0 HE2 MET Y 109 -1.025 18.712 -24.370 1.00 0.00 H new ATOM 0 HE3 MET Y 109 -0.617 18.945 -26.086 1.00 0.00 H new ATOM 3615 N PHE Y 110 -5.588 21.365 -22.026 1.00 0.00 N ATOM 3616 CA PHE Y 110 -6.335 22.141 -20.998 1.00 0.00 C ATOM 3617 C PHE Y 110 -5.549 22.051 -19.692 1.00 0.00 C ATOM 3618 O PHE Y 110 -5.601 22.926 -18.850 1.00 0.00 O ATOM 3619 CB PHE Y 110 -7.764 21.575 -20.841 1.00 0.00 C ATOM 3620 CG PHE Y 110 -7.801 20.346 -19.939 1.00 0.00 C ATOM 3621 CD1 PHE Y 110 -6.893 19.294 -20.123 1.00 0.00 C ATOM 3622 CD2 PHE Y 110 -8.769 20.253 -18.928 1.00 0.00 C ATOM 3623 CE1 PHE Y 110 -6.950 18.162 -19.304 1.00 0.00 C ATOM 3624 CE2 PHE Y 110 -8.823 19.120 -18.107 1.00 0.00 C ATOM 3625 CZ PHE Y 110 -7.913 18.074 -18.296 1.00 0.00 C ATOM 0 H PHE Y 110 -6.123 20.645 -22.512 1.00 0.00 H new ATOM 0 HA PHE Y 110 -6.436 23.186 -21.292 1.00 0.00 H new ATOM 0 HB2 PHE Y 110 -8.415 22.346 -20.429 1.00 0.00 H new ATOM 0 HB3 PHE Y 110 -8.160 21.315 -21.823 1.00 0.00 H new ATOM 0 HD1 PHE Y 110 -6.146 19.358 -20.901 1.00 0.00 H new ATOM 0 HD2 PHE Y 110 -9.475 21.058 -18.782 1.00 0.00 H new ATOM 0 HE1 PHE Y 110 -6.248 17.354 -19.451 1.00 0.00 H new ATOM 0 HE2 PHE Y 110 -9.567 19.053 -17.327 1.00 0.00 H new ATOM 0 HZ PHE Y 110 -7.955 17.200 -17.663 1.00 0.00 H new ATOM 3635 N LYS Y 111 -4.797 20.999 -19.547 1.00 0.00 N ATOM 3636 CA LYS Y 111 -3.960 20.818 -18.333 1.00 0.00 C ATOM 3637 C LYS Y 111 -2.781 21.797 -18.384 1.00 0.00 C ATOM 3638 O LYS Y 111 -2.421 22.407 -17.397 1.00 0.00 O ATOM 3639 CB LYS Y 111 -3.444 19.374 -18.328 1.00 0.00 C ATOM 3640 CG LYS Y 111 -3.026 18.935 -16.912 1.00 0.00 C ATOM 3641 CD LYS Y 111 -4.210 18.894 -15.911 1.00 0.00 C ATOM 3642 CE LYS Y 111 -5.516 18.436 -16.572 1.00 0.00 C ATOM 3643 NZ LYS Y 111 -6.524 18.138 -15.514 1.00 0.00 N ATOM 0 H LYS Y 111 -4.726 20.245 -20.230 1.00 0.00 H new ATOM 0 HA LYS Y 111 -4.538 21.011 -17.429 1.00 0.00 H new ATOM 0 HB2 LYS Y 111 -4.220 18.707 -18.704 1.00 0.00 H new ATOM 0 HB3 LYS Y 111 -2.594 19.287 -19.004 1.00 0.00 H new ATOM 0 HG2 LYS Y 111 -2.569 17.947 -16.965 1.00 0.00 H new ATOM 0 HG3 LYS Y 111 -2.265 19.619 -16.537 1.00 0.00 H new ATOM 0 HD2 LYS Y 111 -3.965 18.220 -15.090 1.00 0.00 H new ATOM 0 HD3 LYS Y 111 -4.352 19.885 -15.479 1.00 0.00 H new ATOM 0 HE2 LYS Y 111 -5.891 19.212 -17.240 1.00 0.00 H new ATOM 0 HE3 LYS Y 111 -5.338 17.550 -17.181 1.00 0.00 H new ATOM 0 HZ1 LYS Y 111 -7.388 17.763 -15.954 1.00 0.00 H new ATOM 0 HZ2 LYS Y 111 -6.137 17.433 -14.854 1.00 0.00 H new ATOM 0 HZ3 LYS Y 111 -6.751 19.010 -14.995 1.00 0.00 H new ATOM 3657 N THR Y 112 -2.176 21.941 -19.534 1.00 0.00 N ATOM 3658 CA THR Y 112 -1.014 22.871 -19.657 1.00 0.00 C ATOM 3659 C THR Y 112 -1.450 24.292 -19.297 1.00 0.00 C ATOM 3660 O THR Y 112 -0.696 25.059 -18.732 1.00 0.00 O ATOM 3661 CB THR Y 112 -0.487 22.851 -21.095 1.00 0.00 C ATOM 3662 OG1 THR Y 112 -1.509 23.284 -21.984 1.00 0.00 O ATOM 3663 CG2 THR Y 112 -0.054 21.432 -21.464 1.00 0.00 C ATOM 0 H THR Y 112 -2.436 21.456 -20.393 1.00 0.00 H new ATOM 0 HA THR Y 112 -0.226 22.549 -18.976 1.00 0.00 H new ATOM 0 HB THR Y 112 0.369 23.521 -21.174 1.00 0.00 H new ATOM 0 HG1 THR Y 112 -2.384 23.163 -21.560 1.00 0.00 H new ATOM 0 HG21 THR Y 112 0.321 21.420 -22.488 1.00 0.00 H new ATOM 0 HG22 THR Y 112 0.734 21.104 -20.786 1.00 0.00 H new ATOM 0 HG23 THR Y 112 -0.907 20.758 -21.382 1.00 0.00 H new ATOM 3671 N GLU Y 113 -2.661 24.650 -19.622 1.00 0.00 N ATOM 3672 CA GLU Y 113 -3.146 26.022 -19.301 1.00 0.00 C ATOM 3673 CB GLU Y 113 -3.354 26.153 -17.790 1.00 0.00 C ATOM 3674 CG GLU Y 113 -4.393 25.128 -17.324 1.00 0.00 C ATOM 3675 CD GLU Y 113 -4.612 25.271 -15.817 1.00 0.00 C ATOM 3676 OE1 GLU Y 113 -3.809 24.740 -15.069 1.00 0.00 O ATOM 3677 OE2 GLU Y 113 -5.582 25.908 -15.438 1.00 0.00 O ATOM 0 H GLU Y 113 -3.337 24.051 -20.097 1.00 0.00 H new ATOM 0 HB2 GLU Y 113 -2.411 25.993 -17.268 1.00 0.00 H new ATOM 0 HB3 GLU Y 113 -3.687 27.161 -17.545 1.00 0.00 H new ATOM 0 HG2 GLU Y 113 -5.333 25.280 -17.855 1.00 0.00 H new ATOM 0 HG3 GLU Y 113 -4.054 24.119 -17.559 1.00 0.00 H new