USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1214 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 31 GLN : amide:sc= -8.56! C(o=-16!,f=-25!) USER MOD Set 1.2: B 33 CYS SG : rot -30:sc= -7.7! USER MOD Set 2.1: A 31 GLN : amide:sc= -8.57! C(o=-16!,f=-25!) USER MOD Set 2.2: A 33 CYS SG : rot -26:sc= -7.56! USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.00752) USER MOD Single : A 1 MET N :NH3+ -179:sc= -0.175 (180deg=-0.184) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -147:sc= -0.66 (180deg=-2.78!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0509 USER MOD Single : A 10 GLN : amide:sc= -8.05! C(o=-8.1!,f=-16!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0422 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00215 USER MOD Single : A 29 ASN : amide:sc= -6.2! C(o=-6.2!,f=-15!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -5.3! C(o=-5.3!,f=-4.5!) USER MOD Single : A 41 HIS : no HD1:sc= -4.79! C(o=-4.8!,f=-6!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 170:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0716 K(o=-0.072,f=-0.66) USER MOD Single : A 56 TYR OH : rot -14:sc= 0.262 USER MOD Single : A 61 TYR OH : rot 24:sc= 0.337 USER MOD Single : A 62 THR OG1 : rot 43:sc= 0.153 USER MOD Single : A 64 HIS : no HD1:sc= -0.302 K(o=-0.3,f=-3.9!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -137:sc= -1.35 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.481 X(o=-0.48,f=0.012) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 178:sc= 0 (180deg=-0.0098) USER MOD Single : B 1 MET N :NH3+ 179:sc= -0.12 (180deg=-0.131) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ -150:sc= -0.79 (180deg=-2.87!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0432 USER MOD Single : B 10 GLN : amide:sc= -7.96! C(o=-8!,f=-16!) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= -0.0487 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 ASN : amide:sc= -6.27! C(o=-6.3!,f=-15!) USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -5.02! C(o=-5!,f=-4.2!) USER MOD Single : B 41 HIS : no HD1:sc= -4.74! C(o=-4.7!,f=-5.9!) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 THR OG1 : rot 180:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -0.0864 K(o=-0.086,f=-0.65) USER MOD Single : B 56 TYR OH : rot -14:sc= 0.251 USER MOD Single : B 61 TYR OH : rot 23:sc= 0.306 USER MOD Single : B 62 THR OG1 : rot 45:sc= -0.0169! USER MOD Single : B 64 HIS : no HD1:sc= -0.337 K(o=-0.34,f=-3.9!) USER MOD Single : B 66 SER OG : rot -37:sc= 0.00387 USER MOD Single : B 67 SER OG : rot -129:sc= -1.37 USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 GLN : amide:sc= -0.558 K(o=-0.56,f=0.012) USER MOD Single : B 75 SER OG : rot 180:sc= 0 USER MOD Single : B 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.315 17.264 2.598 1.00 42.32 N ATOM 2 CA MET A 1 0.130 17.006 2.855 1.00 40.89 C ATOM 3 C MET A 1 0.273 15.872 3.874 1.00 34.75 C ATOM 4 O MET A 1 1.353 15.373 4.115 1.00 33.97 O ATOM 5 CB MET A 1 0.787 18.281 3.410 1.00 48.45 C ATOM 6 CG MET A 1 0.495 18.411 4.911 1.00 56.13 C ATOM 7 SD MET A 1 0.013 20.115 5.288 1.00 64.91 S ATOM 8 CE MET A 1 -1.757 19.930 4.960 1.00 63.43 C ATOM 0 H1 MET A 1 -1.412 18.023 1.893 1.00 42.32 H new ATOM 0 H2 MET A 1 -1.764 16.398 2.238 1.00 42.32 H new ATOM 0 H3 MET A 1 -1.779 17.552 3.483 1.00 42.32 H new ATOM 0 HA MET A 1 0.620 16.721 1.924 1.00 40.89 H new ATOM 0 HB2 MET A 1 1.863 18.248 3.242 1.00 48.45 H new ATOM 0 HB3 MET A 1 0.408 19.155 2.880 1.00 48.45 H new ATOM 0 HG2 MET A 1 -0.302 17.725 5.198 1.00 56.13 H new ATOM 0 HG3 MET A 1 1.377 18.135 5.489 1.00 56.13 H new ATOM 0 HE1 MET A 1 -2.266 20.871 5.168 1.00 63.43 H new ATOM 0 HE2 MET A 1 -1.907 19.659 3.915 1.00 63.43 H new ATOM 0 HE3 MET A 1 -2.166 19.148 5.600 1.00 63.43 H new ATOM 20 N ILE A 2 -0.808 15.477 4.488 1.00 28.59 N ATOM 21 CA ILE A 2 -0.727 14.393 5.505 1.00 24.58 C ATOM 22 C ILE A 2 0.017 14.941 6.719 1.00 19.29 C ATOM 23 O ILE A 2 1.163 14.623 6.961 1.00 19.53 O ATOM 24 CB ILE A 2 0.028 13.196 4.936 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.374 12.970 3.478 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.321 11.952 5.748 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.817 12.396 2.719 1.00 33.80 C ATOM 0 H ILE A 2 -1.741 15.857 4.330 1.00 28.59 H new ATOM 0 HA ILE A 2 -1.728 14.067 5.786 1.00 24.58 H new ATOM 0 HB ILE A 2 1.099 13.390 4.988 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.221 12.286 3.423 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -0.692 13.909 3.025 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.216 11.093 5.346 1.00 23.06 H new ATOM 0 HG22 ILE A 2 -0.034 12.104 6.789 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.394 11.769 5.690 1.00 23.06 H new ATOM 0 HD11 ILE A 2 0.540 12.231 1.678 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.651 13.097 2.766 1.00 33.80 H new ATOM 0 HD13 ILE A 2 1.113 11.449 3.170 1.00 33.80 H new ATOM 39 N LYS A 3 -0.627 15.794 7.459 1.00 18.14 N ATOM 40 CA LYS A 3 0.024 16.419 8.644 1.00 16.66 C ATOM 41 C LYS A 3 0.585 15.366 9.592 1.00 14.94 C ATOM 42 O LYS A 3 0.188 14.218 9.587 1.00 13.94 O ATOM 43 CB LYS A 3 -0.992 17.288 9.388 1.00 16.94 C ATOM 44 CG LYS A 3 -0.845 18.745 8.941 1.00 17.85 C ATOM 45 CD LYS A 3 -1.725 19.643 9.815 1.00 19.63 C ATOM 46 CE LYS A 3 -1.048 21.003 9.997 1.00 26.28 C ATOM 47 NZ LYS A 3 -1.631 21.695 11.182 1.00 32.72 N ATOM 0 H LYS A 3 -1.589 16.090 7.293 1.00 18.14 H new ATOM 0 HA LYS A 3 0.853 17.032 8.290 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -2.004 16.936 9.187 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -0.835 17.209 10.464 1.00 16.94 H new ATOM 0 HG2 LYS A 3 0.197 19.056 9.017 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -1.132 18.845 7.894 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -2.704 19.771 9.353 1.00 19.63 H new ATOM 0 HD3 LYS A 3 -1.890 19.175 10.785 1.00 19.63 H new ATOM 0 HE2 LYS A 3 0.026 20.871 10.131 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -1.185 21.612 9.103 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -1.171 22.619 11.305 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -2.651 21.833 11.036 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -1.478 21.116 12.032 1.00 32.72 H new ATOM 61 N VAL A 4 1.522 15.773 10.406 1.00 12.42 N ATOM 62 CA VAL A 4 2.156 14.844 11.374 1.00 12.99 C ATOM 63 C VAL A 4 2.823 15.661 12.482 1.00 14.26 C ATOM 64 O VAL A 4 2.970 16.863 12.381 1.00 13.80 O ATOM 65 CB VAL A 4 3.220 14.008 10.656 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.890 13.050 11.643 1.00 14.46 C ATOM 67 CG2 VAL A 4 2.580 13.207 9.519 1.00 10.41 C ATOM 0 H VAL A 4 1.878 16.728 10.438 1.00 12.42 H new ATOM 0 HA VAL A 4 1.400 14.184 11.800 1.00 12.99 H new ATOM 0 HB VAL A 4 3.972 14.680 10.242 1.00 12.94 H new ATOM 0 HG11 VAL A 4 4.645 12.460 11.122 1.00 14.46 H new ATOM 0 HG12 VAL A 4 4.363 13.622 12.441 1.00 14.46 H new ATOM 0 HG13 VAL A 4 3.140 12.384 12.070 1.00 14.46 H new ATOM 0 HG21 VAL A 4 3.345 12.616 9.015 1.00 10.41 H new ATOM 0 HG22 VAL A 4 1.818 12.543 9.926 1.00 10.41 H new ATOM 0 HG23 VAL A 4 2.121 13.891 8.805 1.00 10.41 H new ATOM 77 N GLU A 5 3.229 15.015 13.534 1.00 9.27 N ATOM 78 CA GLU A 5 3.890 15.734 14.656 1.00 10.51 C ATOM 79 C GLU A 5 4.785 14.763 15.400 1.00 10.00 C ATOM 80 O GLU A 5 4.335 13.940 16.169 1.00 10.96 O ATOM 81 CB GLU A 5 2.829 16.287 15.602 1.00 10.42 C ATOM 82 CG GLU A 5 2.327 17.615 15.048 1.00 18.68 C ATOM 83 CD GLU A 5 1.493 18.333 16.110 1.00 18.63 C ATOM 84 OE1 GLU A 5 0.938 17.653 16.958 1.00 22.12 O ATOM 85 OE2 GLU A 5 1.423 19.550 16.057 1.00 19.38 O ATOM 0 H GLU A 5 3.131 14.009 13.667 1.00 9.27 H new ATOM 0 HA GLU A 5 4.486 16.560 14.269 1.00 10.51 H new ATOM 0 HB2 GLU A 5 2.004 15.581 15.699 1.00 10.42 H new ATOM 0 HB3 GLU A 5 3.247 16.427 16.599 1.00 10.42 H new ATOM 0 HG2 GLU A 5 3.170 18.238 14.751 1.00 18.68 H new ATOM 0 HG3 GLU A 5 1.727 17.444 14.154 1.00 18.68 H new ATOM 92 N ILE A 6 6.057 14.851 15.177 1.00 9.86 N ATOM 93 CA ILE A 6 6.978 13.925 15.887 1.00 10.60 C ATOM 94 C ILE A 6 6.985 14.314 17.374 1.00 10.16 C ATOM 95 O ILE A 6 7.504 15.343 17.757 1.00 11.64 O ATOM 96 CB ILE A 6 8.391 13.997 15.261 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.545 12.855 14.250 1.00 14.23 C ATOM 98 CG2 ILE A 6 9.468 13.846 16.332 1.00 12.29 C ATOM 99 CD1 ILE A 6 8.242 13.368 12.841 1.00 13.81 C ATOM 0 H ILE A 6 6.500 15.515 14.542 1.00 9.86 H new ATOM 0 HA ILE A 6 6.644 12.892 15.792 1.00 10.60 H new ATOM 0 HB ILE A 6 8.508 14.966 14.775 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.558 12.454 14.291 1.00 14.23 H new ATOM 0 HG13 ILE A 6 7.869 12.039 14.503 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.453 13.900 15.868 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.368 14.647 17.064 1.00 12.29 H new ATOM 0 HG23 ILE A 6 9.354 12.883 16.830 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.353 12.553 12.126 1.00 13.81 H new ATOM 0 HD12 ILE A 6 7.221 13.748 12.804 1.00 13.81 H new ATOM 0 HD13 ILE A 6 8.936 14.169 12.588 1.00 13.81 H new ATOM 111 N LYS A 7 6.387 13.502 18.212 1.00 11.63 N ATOM 112 CA LYS A 7 6.335 13.824 19.664 1.00 11.59 C ATOM 113 C LYS A 7 7.728 14.246 20.142 1.00 12.98 C ATOM 114 O LYS A 7 8.688 14.154 19.403 1.00 9.79 O ATOM 115 CB LYS A 7 5.874 12.579 20.430 1.00 12.52 C ATOM 116 CG LYS A 7 4.434 12.765 20.929 1.00 14.26 C ATOM 117 CD LYS A 7 3.573 13.423 19.848 1.00 15.70 C ATOM 118 CE LYS A 7 3.152 14.819 20.302 1.00 19.19 C ATOM 119 NZ LYS A 7 2.749 14.779 21.736 1.00 25.43 N ATOM 0 H LYS A 7 5.932 12.628 17.947 1.00 11.63 H new ATOM 0 HA LYS A 7 5.636 14.642 19.842 1.00 11.59 H new ATOM 0 HB2 LYS A 7 5.932 11.703 19.783 1.00 12.52 H new ATOM 0 HB3 LYS A 7 6.538 12.396 21.275 1.00 12.52 H new ATOM 0 HG2 LYS A 7 4.010 11.799 21.202 1.00 14.26 H new ATOM 0 HG3 LYS A 7 4.431 13.380 21.829 1.00 14.26 H new ATOM 0 HD2 LYS A 7 4.131 13.487 18.914 1.00 15.70 H new ATOM 0 HD3 LYS A 7 2.691 12.813 19.651 1.00 15.70 H new ATOM 0 HE2 LYS A 7 3.975 15.520 20.165 1.00 19.19 H new ATOM 0 HE3 LYS A 7 2.323 15.176 19.691 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 1.990 15.471 21.903 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 2.407 13.826 21.974 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 3.568 15.012 22.333 1.00 25.43 H new ATOM 133 N PRO A 8 7.796 14.698 21.367 1.00 13.56 N ATOM 134 CA PRO A 8 9.060 15.144 21.976 1.00 11.93 C ATOM 135 C PRO A 8 9.909 13.937 22.368 1.00 10.20 C ATOM 136 O PRO A 8 11.111 14.028 22.515 1.00 12.05 O ATOM 137 CB PRO A 8 8.610 15.930 23.210 1.00 12.78 C ATOM 138 CG PRO A 8 7.187 15.427 23.551 1.00 12.51 C ATOM 139 CD PRO A 8 6.623 14.801 22.260 1.00 13.61 C ATOM 0 HA PRO A 8 9.676 15.743 21.305 1.00 11.93 H new ATOM 0 HB2 PRO A 8 9.291 15.766 24.045 1.00 12.78 H new ATOM 0 HB3 PRO A 8 8.606 17.001 23.008 1.00 12.78 H new ATOM 0 HG2 PRO A 8 7.218 14.693 24.357 1.00 12.51 H new ATOM 0 HG3 PRO A 8 6.556 16.248 23.892 1.00 12.51 H new ATOM 0 HD2 PRO A 8 6.181 13.823 22.451 1.00 13.61 H new ATOM 0 HD3 PRO A 8 5.843 15.424 21.823 1.00 13.61 H new ATOM 147 N SER A 9 9.288 12.807 22.531 1.00 10.65 N ATOM 148 CA SER A 9 10.049 11.584 22.907 1.00 10.83 C ATOM 149 C SER A 9 10.301 10.736 21.657 1.00 10.94 C ATOM 150 O SER A 9 10.847 9.654 21.731 1.00 13.16 O ATOM 151 CB SER A 9 9.243 10.773 23.923 1.00 13.01 C ATOM 152 OG SER A 9 7.901 11.242 23.940 1.00 15.52 O ATOM 0 H SER A 9 8.283 12.675 22.420 1.00 10.65 H new ATOM 0 HA SER A 9 11.003 11.871 23.349 1.00 10.83 H new ATOM 0 HB2 SER A 9 9.267 9.715 23.662 1.00 13.01 H new ATOM 0 HB3 SER A 9 9.686 10.867 24.914 1.00 13.01 H new ATOM 0 HG SER A 9 7.381 10.723 24.589 1.00 15.52 H new ATOM 158 N GLN A 10 9.914 11.221 20.507 1.00 10.02 N ATOM 159 CA GLN A 10 10.139 10.444 19.258 1.00 11.55 C ATOM 160 C GLN A 10 11.121 11.200 18.363 1.00 13.72 C ATOM 161 O GLN A 10 10.974 11.240 17.158 1.00 17.31 O ATOM 162 CB GLN A 10 8.814 10.266 18.520 1.00 6.60 C ATOM 163 CG GLN A 10 7.742 9.822 19.511 1.00 7.20 C ATOM 164 CD GLN A 10 7.993 8.370 19.925 1.00 10.36 C ATOM 165 OE1 GLN A 10 9.007 7.795 19.583 1.00 13.01 O ATOM 166 NE2 GLN A 10 7.105 7.749 20.653 1.00 4.80 N ATOM 0 H GLN A 10 9.452 12.122 20.381 1.00 10.02 H new ATOM 0 HA GLN A 10 10.548 9.465 19.507 1.00 11.55 H new ATOM 0 HB2 GLN A 10 8.521 11.202 18.044 1.00 6.60 H new ATOM 0 HB3 GLN A 10 8.922 9.526 17.727 1.00 6.60 H new ATOM 0 HG2 GLN A 10 7.754 10.468 20.389 1.00 7.20 H new ATOM 0 HG3 GLN A 10 6.754 9.916 19.060 1.00 7.20 H new ATOM 0 HE21 GLN A 10 6.253 8.231 20.940 1.00 4.80 H new ATOM 0 HE22 GLN A 10 7.263 6.781 20.934 1.00 4.80 H new ATOM 175 N ALA A 11 12.119 11.808 18.945 1.00 15.28 N ATOM 176 CA ALA A 11 13.109 12.571 18.130 1.00 18.95 C ATOM 177 C ALA A 11 14.440 11.814 18.091 1.00 20.75 C ATOM 178 O ALA A 11 15.485 12.359 18.385 1.00 24.78 O ATOM 179 CB ALA A 11 13.325 13.951 18.753 1.00 17.72 C ATOM 0 H ALA A 11 12.292 11.810 19.950 1.00 15.28 H new ATOM 0 HA ALA A 11 12.730 12.684 17.114 1.00 18.95 H new ATOM 0 HB1 ALA A 11 14.048 14.509 18.159 1.00 17.72 H new ATOM 0 HB2 ALA A 11 12.379 14.492 18.776 1.00 17.72 H new ATOM 0 HB3 ALA A 11 13.702 13.836 19.769 1.00 17.72 H new ATOM 185 N GLN A 12 14.406 10.563 17.730 1.00 22.50 N ATOM 186 CA GLN A 12 15.664 9.761 17.668 1.00 25.43 C ATOM 187 C GLN A 12 15.334 8.358 17.135 1.00 22.80 C ATOM 188 O GLN A 12 14.366 7.750 17.546 1.00 20.93 O ATOM 189 CB GLN A 12 16.265 9.654 19.076 1.00 30.18 C ATOM 190 CG GLN A 12 15.540 8.558 19.853 1.00 42.11 C ATOM 191 CD GLN A 12 15.806 8.720 21.350 1.00 46.61 C ATOM 192 OE1 GLN A 12 16.701 8.102 21.891 1.00 46.27 O ATOM 193 NE2 GLN A 12 15.059 9.530 22.049 1.00 47.90 N ATOM 0 H GLN A 12 13.558 10.057 17.474 1.00 22.50 H new ATOM 0 HA GLN A 12 16.384 10.243 17.006 1.00 25.43 H new ATOM 0 HB2 GLN A 12 17.329 9.428 19.013 1.00 30.18 H new ATOM 0 HB3 GLN A 12 16.172 10.607 19.597 1.00 30.18 H new ATOM 0 HG2 GLN A 12 14.469 8.609 19.657 1.00 42.11 H new ATOM 0 HG3 GLN A 12 15.879 7.578 19.518 1.00 42.11 H new ATOM 0 HE21 GLN A 12 14.307 10.049 21.596 1.00 47.90 H new ATOM 0 HE22 GLN A 12 15.227 9.644 23.049 1.00 47.90 H new ATOM 202 N PHE A 13 16.116 7.834 16.230 1.00 21.61 N ATOM 203 CA PHE A 13 15.816 6.480 15.700 1.00 20.51 C ATOM 204 C PHE A 13 16.625 5.435 16.460 1.00 18.83 C ATOM 205 O PHE A 13 17.489 5.751 17.253 1.00 18.83 O ATOM 206 CB PHE A 13 16.205 6.424 14.230 1.00 19.56 C ATOM 207 CG PHE A 13 17.648 6.855 14.105 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.675 5.923 14.296 1.00 20.50 C ATOM 209 CD2 PHE A 13 17.960 8.189 13.817 1.00 15.55 C ATOM 210 CE1 PHE A 13 20.011 6.326 14.194 1.00 20.75 C ATOM 211 CE2 PHE A 13 19.294 8.591 13.717 1.00 14.07 C ATOM 212 CZ PHE A 13 20.318 7.661 13.906 1.00 18.48 C ATOM 0 H PHE A 13 16.944 8.284 15.839 1.00 21.61 H new ATOM 0 HA PHE A 13 14.752 6.276 15.819 1.00 20.51 H new ATOM 0 HB2 PHE A 13 16.075 5.414 13.841 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.561 7.078 13.642 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.436 4.894 14.522 1.00 20.50 H new ATOM 0 HD2 PHE A 13 17.168 8.909 13.672 1.00 15.55 H new ATOM 0 HE1 PHE A 13 20.805 5.608 14.337 1.00 20.75 H new ATOM 0 HE2 PHE A 13 19.533 9.620 13.494 1.00 14.07 H new ATOM 0 HZ PHE A 13 21.349 7.972 13.830 1.00 18.48 H new ATOM 222 N THR A 14 16.357 4.188 16.205 1.00 14.89 N ATOM 223 CA THR A 14 17.111 3.105 16.883 1.00 13.37 C ATOM 224 C THR A 14 17.453 2.035 15.852 1.00 11.97 C ATOM 225 O THR A 14 16.863 1.973 14.793 1.00 10.76 O ATOM 226 CB THR A 14 16.256 2.491 17.992 1.00 13.68 C ATOM 227 OG1 THR A 14 16.983 1.445 18.623 1.00 13.48 O ATOM 228 CG2 THR A 14 14.969 1.929 17.391 1.00 9.24 C ATOM 0 H THR A 14 15.642 3.871 15.550 1.00 14.89 H new ATOM 0 HA THR A 14 18.022 3.509 17.324 1.00 13.37 H new ATOM 0 HB THR A 14 16.007 3.256 18.727 1.00 13.68 H new ATOM 0 HG1 THR A 14 16.437 1.051 19.335 1.00 13.48 H new ATOM 0 HG21 THR A 14 14.359 1.491 18.181 1.00 9.24 H new ATOM 0 HG22 THR A 14 14.413 2.732 16.906 1.00 9.24 H new ATOM 0 HG23 THR A 14 15.215 1.163 16.656 1.00 9.24 H new ATOM 236 N THR A 15 18.397 1.193 16.146 1.00 13.20 N ATOM 237 CA THR A 15 18.765 0.134 15.169 1.00 12.54 C ATOM 238 C THR A 15 17.973 -1.137 15.480 1.00 14.34 C ATOM 239 O THR A 15 18.167 -1.769 16.500 1.00 17.35 O ATOM 240 CB THR A 15 20.263 -0.156 15.267 1.00 11.88 C ATOM 241 OG1 THR A 15 20.918 0.944 15.884 1.00 17.15 O ATOM 242 CG2 THR A 15 20.832 -0.371 13.866 1.00 8.30 C ATOM 0 H THR A 15 18.929 1.190 17.016 1.00 13.20 H new ATOM 0 HA THR A 15 18.531 0.471 14.159 1.00 12.54 H new ATOM 0 HB THR A 15 20.423 -1.054 15.864 1.00 11.88 H new ATOM 0 HG1 THR A 15 21.878 0.759 15.949 1.00 17.15 H new ATOM 0 HG21 THR A 15 21.900 -0.578 13.935 1.00 8.30 H new ATOM 0 HG22 THR A 15 20.329 -1.215 13.394 1.00 8.30 H new ATOM 0 HG23 THR A 15 20.674 0.526 13.268 1.00 8.30 H new ATOM 435 N LEU A 28 18.101 -1.282 9.823 1.00 18.57 N ATOM 436 CA LEU A 28 17.860 0.143 9.461 1.00 16.31 C ATOM 437 C LEU A 28 17.370 0.941 10.676 1.00 14.21 C ATOM 438 O LEU A 28 16.614 0.454 11.493 1.00 16.97 O ATOM 439 CB LEU A 28 16.823 0.201 8.323 1.00 16.48 C ATOM 440 CG LEU A 28 15.393 0.169 8.883 1.00 22.19 C ATOM 441 CD1 LEU A 28 14.997 1.563 9.378 1.00 24.00 C ATOM 442 CD2 LEU A 28 14.425 -0.268 7.777 1.00 22.01 C ATOM 0 HA LEU A 28 18.796 0.592 9.127 1.00 16.31 H new ATOM 0 HB2 LEU A 28 16.969 1.109 7.739 1.00 16.48 H new ATOM 0 HB3 LEU A 28 16.972 -0.641 7.646 1.00 16.48 H new ATOM 0 HG LEU A 28 15.348 -0.535 9.714 1.00 22.19 H new ATOM 0 HD11 LEU A 28 13.982 1.534 9.774 1.00 24.00 H new ATOM 0 HD12 LEU A 28 15.684 1.879 10.163 1.00 24.00 H new ATOM 0 HD13 LEU A 28 15.043 2.270 8.550 1.00 24.00 H new ATOM 0 HD21 LEU A 28 13.409 -0.292 8.171 1.00 22.01 H new ATOM 0 HD22 LEU A 28 14.476 0.438 6.948 1.00 22.01 H new ATOM 0 HD23 LEU A 28 14.701 -1.262 7.424 1.00 22.01 H new ATOM 454 N ASN A 29 17.789 2.176 10.781 1.00 11.64 N ATOM 455 CA ASN A 29 17.344 3.034 11.924 1.00 9.77 C ATOM 456 C ASN A 29 15.877 3.418 11.715 1.00 7.94 C ATOM 457 O ASN A 29 15.505 3.916 10.675 1.00 10.52 O ATOM 458 CB ASN A 29 18.184 4.327 12.016 1.00 14.73 C ATOM 459 CG ASN A 29 18.834 4.679 10.670 1.00 17.90 C ATOM 460 OD1 ASN A 29 18.511 4.112 9.647 1.00 23.31 O ATOM 461 ND2 ASN A 29 19.744 5.614 10.631 1.00 12.89 N ATOM 0 H ASN A 29 18.422 2.630 10.123 1.00 11.64 H new ATOM 0 HA ASN A 29 17.473 2.469 12.847 1.00 9.77 H new ATOM 0 HB2 ASN A 29 17.549 5.151 12.340 1.00 14.73 H new ATOM 0 HB3 ASN A 29 18.958 4.205 12.773 1.00 14.73 H new ATOM 0 HD21 ASN A 29 20.180 5.865 9.744 1.00 12.89 H new ATOM 0 HD22 ASN A 29 20.019 6.094 11.488 1.00 12.89 H new ATOM 468 N GLU A 30 15.039 3.193 12.691 1.00 8.58 N ATOM 469 CA GLU A 30 13.598 3.555 12.533 1.00 13.16 C ATOM 470 C GLU A 30 13.223 4.607 13.581 1.00 12.26 C ATOM 471 O GLU A 30 13.949 4.836 14.527 1.00 10.58 O ATOM 472 CB GLU A 30 12.735 2.306 12.723 1.00 14.93 C ATOM 473 CG GLU A 30 12.532 1.620 11.370 1.00 27.13 C ATOM 474 CD GLU A 30 11.207 0.855 11.377 1.00 33.28 C ATOM 475 OE1 GLU A 30 11.191 -0.257 11.877 1.00 38.01 O ATOM 476 OE2 GLU A 30 10.232 1.394 10.879 1.00 40.03 O ATOM 0 H GLU A 30 15.287 2.776 13.588 1.00 8.58 H new ATOM 0 HA GLU A 30 13.428 3.961 11.536 1.00 13.16 H new ATOM 0 HB2 GLU A 30 13.215 1.621 13.422 1.00 14.93 H new ATOM 0 HB3 GLU A 30 11.771 2.578 13.154 1.00 14.93 H new ATOM 0 HG2 GLU A 30 12.531 2.362 10.571 1.00 27.13 H new ATOM 0 HG3 GLU A 30 13.357 0.937 11.170 1.00 27.13 H new ATOM 483 N GLN A 31 12.098 5.255 13.420 1.00 10.34 N ATOM 484 CA GLN A 31 11.692 6.297 14.410 1.00 9.46 C ATOM 485 C GLN A 31 10.167 6.306 14.553 1.00 10.09 C ATOM 486 O GLN A 31 9.468 5.545 13.913 1.00 9.36 O ATOM 487 CB GLN A 31 12.164 7.671 13.920 1.00 7.25 C ATOM 488 CG GLN A 31 12.386 8.609 15.108 1.00 10.62 C ATOM 489 CD GLN A 31 11.624 9.911 14.862 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.482 9.890 14.449 1.00 8.56 O ATOM 491 NE2 GLN A 31 12.213 11.050 15.089 1.00 12.39 N ATOM 0 H GLN A 31 11.446 5.109 12.650 1.00 10.34 H new ATOM 0 HA GLN A 31 12.144 6.075 15.377 1.00 9.46 H new ATOM 0 HB2 GLN A 31 13.089 7.565 13.354 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.423 8.098 13.244 1.00 7.25 H new ATOM 0 HG2 GLN A 31 12.041 8.139 16.029 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.449 8.813 15.233 1.00 10.62 H new ATOM 0 HE21 GLN A 31 13.172 11.068 15.436 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.715 11.924 14.920 1.00 12.39 H new ATOM 500 N LEU A 32 9.645 7.166 15.387 1.00 6.80 N ATOM 501 CA LEU A 32 8.168 7.231 15.571 1.00 10.34 C ATOM 502 C LEU A 32 7.685 8.656 15.290 1.00 9.02 C ATOM 503 O LEU A 32 8.417 9.612 15.443 1.00 11.15 O ATOM 504 CB LEU A 32 7.811 6.852 17.010 1.00 10.20 C ATOM 505 CG LEU A 32 8.514 5.547 17.388 1.00 16.38 C ATOM 506 CD1 LEU A 32 8.179 5.191 18.838 1.00 17.42 C ATOM 507 CD2 LEU A 32 8.036 4.426 16.462 1.00 15.89 C ATOM 0 H LEU A 32 10.180 7.827 15.950 1.00 6.80 H new ATOM 0 HA LEU A 32 7.687 6.536 14.883 1.00 10.34 H new ATOM 0 HB2 LEU A 32 8.111 7.648 17.691 1.00 10.20 H new ATOM 0 HB3 LEU A 32 6.732 6.737 17.109 1.00 10.20 H new ATOM 0 HG LEU A 32 9.592 5.669 17.284 1.00 16.38 H new ATOM 0 HD11 LEU A 32 8.679 4.261 19.109 1.00 17.42 H new ATOM 0 HD12 LEU A 32 8.518 5.991 19.497 1.00 17.42 H new ATOM 0 HD13 LEU A 32 7.101 5.067 18.943 1.00 17.42 H new ATOM 0 HD21 LEU A 32 8.536 3.495 16.730 1.00 15.89 H new ATOM 0 HD22 LEU A 32 6.958 4.302 16.567 1.00 15.89 H new ATOM 0 HD23 LEU A 32 8.273 4.681 15.429 1.00 15.89 H new ATOM 519 N CYS A 33 6.453 8.807 14.895 1.00 9.68 N ATOM 520 CA CYS A 33 5.913 10.162 14.615 1.00 8.10 C ATOM 521 C CYS A 33 4.406 10.108 14.818 1.00 6.34 C ATOM 522 O CYS A 33 3.846 9.054 15.027 1.00 8.02 O ATOM 523 CB CYS A 33 6.222 10.576 13.171 1.00 8.88 C ATOM 524 SG CYS A 33 7.944 10.188 12.771 1.00 13.84 S ATOM 0 H CYS A 33 5.793 8.042 14.753 1.00 9.68 H new ATOM 0 HA CYS A 33 6.371 10.892 15.282 1.00 8.10 H new ATOM 0 HB2 CYS A 33 5.554 10.056 12.484 1.00 8.88 H new ATOM 0 HB3 CYS A 33 6.042 11.643 13.044 1.00 8.88 H new ATOM 0 HG CYS A 33 8.650 10.173 13.862 1.00 13.84 H new ATOM 530 N TYR A 34 3.738 11.219 14.762 1.00 7.35 N ATOM 531 CA TYR A 34 2.270 11.188 14.963 1.00 7.08 C ATOM 532 C TYR A 34 1.577 11.763 13.733 1.00 7.71 C ATOM 533 O TYR A 34 1.481 12.964 13.572 1.00 7.80 O ATOM 534 CB TYR A 34 1.915 12.033 16.174 1.00 8.67 C ATOM 535 CG TYR A 34 2.083 11.223 17.438 1.00 9.11 C ATOM 536 CD1 TYR A 34 1.012 10.471 17.940 1.00 12.44 C ATOM 537 CD2 TYR A 34 3.299 11.254 18.125 1.00 13.61 C ATOM 538 CE1 TYR A 34 1.156 9.758 19.127 1.00 16.38 C ATOM 539 CE2 TYR A 34 3.445 10.533 19.313 1.00 17.22 C ATOM 540 CZ TYR A 34 2.369 9.789 19.814 1.00 16.83 C ATOM 541 OH TYR A 34 2.511 9.082 20.991 1.00 21.14 O ATOM 0 H TYR A 34 4.140 12.140 14.587 1.00 7.35 H new ATOM 0 HA TYR A 34 1.944 10.160 15.119 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.553 12.916 16.211 1.00 8.67 H new ATOM 0 HB3 TYR A 34 0.887 12.386 16.093 1.00 8.67 H new ATOM 0 HD1 TYR A 34 0.074 10.445 17.405 1.00 12.44 H new ATOM 0 HD2 TYR A 34 4.124 11.834 17.739 1.00 13.61 H new ATOM 0 HE1 TYR A 34 0.329 9.182 19.515 1.00 16.38 H new ATOM 0 HE2 TYR A 34 4.385 10.549 19.844 1.00 17.22 H new ATOM 0 HH TYR A 34 3.417 9.209 21.342 1.00 21.14 H new ATOM 551 N VAL A 35 1.098 10.928 12.857 1.00 9.44 N ATOM 552 CA VAL A 35 0.426 11.459 11.643 1.00 10.66 C ATOM 553 C VAL A 35 -1.079 11.558 11.863 1.00 10.57 C ATOM 554 O VAL A 35 -1.738 10.598 12.213 1.00 8.31 O ATOM 555 CB VAL A 35 0.704 10.558 10.442 1.00 10.22 C ATOM 556 CG1 VAL A 35 0.029 11.156 9.204 1.00 7.97 C ATOM 557 CG2 VAL A 35 2.214 10.475 10.210 1.00 9.86 C ATOM 0 H VAL A 35 1.142 9.911 12.928 1.00 9.44 H new ATOM 0 HA VAL A 35 0.824 12.454 11.446 1.00 10.66 H new ATOM 0 HB VAL A 35 0.311 9.559 10.629 1.00 10.22 H new ATOM 0 HG11 VAL A 35 0.222 10.519 8.341 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -1.046 11.223 9.372 1.00 7.97 H new ATOM 0 HG13 VAL A 35 0.430 12.152 9.017 1.00 7.97 H new ATOM 0 HG21 VAL A 35 2.416 9.832 9.353 1.00 9.86 H new ATOM 0 HG22 VAL A 35 2.608 11.473 10.016 1.00 9.86 H new ATOM 0 HG23 VAL A 35 2.696 10.061 11.096 1.00 9.86 H new ATOM 567 N ASP A 36 -1.626 12.717 11.635 1.00 8.58 N ATOM 568 CA ASP A 36 -3.083 12.899 11.790 1.00 11.48 C ATOM 569 C ASP A 36 -3.702 12.868 10.397 1.00 12.38 C ATOM 570 O ASP A 36 -4.525 13.691 10.049 1.00 11.89 O ATOM 571 CB ASP A 36 -3.371 14.245 12.455 1.00 16.17 C ATOM 572 CG ASP A 36 -4.777 14.227 13.058 1.00 17.97 C ATOM 573 OD1 ASP A 36 -5.503 13.285 12.789 1.00 15.67 O ATOM 574 OD2 ASP A 36 -5.103 15.156 13.779 1.00 25.89 O ATOM 0 H ASP A 36 -1.116 13.551 11.345 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.503 12.110 12.415 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -2.633 14.444 13.232 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -3.288 15.049 11.724 1.00 16.17 H new ATOM 579 N LEU A 37 -3.276 11.926 9.595 1.00 13.17 N ATOM 580 CA LEU A 37 -3.793 11.811 8.197 1.00 18.47 C ATOM 581 C LEU A 37 -5.273 12.189 8.149 1.00 21.14 C ATOM 582 O LEU A 37 -5.763 12.690 7.157 1.00 24.24 O ATOM 583 CB LEU A 37 -3.617 10.375 7.670 1.00 15.81 C ATOM 584 CG LEU A 37 -3.372 9.393 8.822 1.00 20.59 C ATOM 585 CD1 LEU A 37 -4.498 9.509 9.851 1.00 14.72 C ATOM 586 CD2 LEU A 37 -3.335 7.965 8.269 1.00 20.01 C ATOM 0 H LEU A 37 -2.583 11.223 9.852 1.00 13.17 H new ATOM 0 HA LEU A 37 -3.223 12.494 7.567 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -4.506 10.076 7.115 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -2.780 10.340 6.973 1.00 15.81 H new ATOM 0 HG LEU A 37 -2.422 9.629 9.301 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -4.319 8.809 10.667 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -4.528 10.525 10.244 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -5.451 9.276 9.376 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -3.161 7.263 9.085 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -4.287 7.736 7.790 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -2.531 7.879 7.538 1.00 20.01 H new ATOM 598 N GLY A 38 -5.990 11.962 9.212 1.00 20.70 N ATOM 599 CA GLY A 38 -7.426 12.316 9.221 1.00 23.91 C ATOM 600 C GLY A 38 -8.134 11.545 10.339 1.00 26.50 C ATOM 601 O GLY A 38 -9.127 10.882 10.115 1.00 31.02 O ATOM 0 H GLY A 38 -5.639 11.546 10.074 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -7.546 13.389 9.372 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -7.877 12.077 8.258 1.00 23.91 H new ATOM 605 N ASN A 39 -7.629 11.619 11.544 1.00 27.64 N ATOM 606 CA ASN A 39 -8.272 10.884 12.666 1.00 30.27 C ATOM 607 C ASN A 39 -8.561 11.843 13.824 1.00 26.79 C ATOM 608 O ASN A 39 -8.783 11.431 14.945 1.00 26.87 O ATOM 609 CB ASN A 39 -7.343 9.763 13.147 1.00 35.62 C ATOM 610 CG ASN A 39 -6.972 8.854 11.972 1.00 41.31 C ATOM 611 OD1 ASN A 39 -7.604 8.895 10.935 1.00 43.23 O ATOM 612 ND2 ASN A 39 -5.964 8.027 12.089 1.00 39.63 N ATOM 0 H ASN A 39 -6.800 12.157 11.796 1.00 27.64 H new ATOM 0 HA ASN A 39 -9.211 10.454 12.317 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -6.442 10.189 13.587 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -7.834 9.181 13.927 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -5.710 7.419 11.311 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -5.432 7.991 12.959 1.00 39.63 H new ATOM 619 N GLU A 40 -8.565 13.118 13.558 1.00 25.15 N ATOM 620 CA GLU A 40 -8.846 14.116 14.637 1.00 23.81 C ATOM 621 C GLU A 40 -7.858 13.937 15.796 1.00 21.12 C ATOM 622 O GLU A 40 -8.058 14.457 16.875 1.00 19.86 O ATOM 623 CB GLU A 40 -10.271 13.918 15.157 1.00 27.22 C ATOM 624 CG GLU A 40 -11.248 13.877 13.980 1.00 34.87 C ATOM 625 CD GLU A 40 -11.867 15.261 13.780 1.00 38.97 C ATOM 626 OE1 GLU A 40 -11.251 16.073 13.110 1.00 39.54 O ATOM 627 OE2 GLU A 40 -12.949 15.485 14.299 1.00 42.34 O ATOM 0 H GLU A 40 -8.385 13.518 12.637 1.00 25.15 H new ATOM 0 HA GLU A 40 -8.737 15.119 14.225 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -10.335 12.991 15.728 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -10.537 14.729 15.835 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -10.729 13.565 13.074 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -12.030 13.141 14.169 1.00 34.87 H new ATOM 634 N HIS A 41 -6.796 13.213 15.580 1.00 2.82 N ATOM 635 CA HIS A 41 -5.792 12.998 16.662 1.00 2.73 C ATOM 636 C HIS A 41 -4.493 12.509 16.022 1.00 1.96 C ATOM 637 O HIS A 41 -4.502 12.049 14.897 1.00 1.09 O ATOM 638 CB HIS A 41 -6.311 11.939 17.641 1.00 3.31 C ATOM 639 CG HIS A 41 -7.495 12.481 18.394 1.00 3.15 C ATOM 640 ND1 HIS A 41 -7.442 13.676 19.095 1.00 3.62 N ATOM 641 CD2 HIS A 41 -8.772 12.006 18.560 1.00 4.40 C ATOM 642 CE1 HIS A 41 -8.654 13.878 19.644 1.00 5.36 C ATOM 643 NE2 HIS A 41 -9.502 12.889 19.350 1.00 6.16 N ATOM 0 H HIS A 41 -6.578 12.757 14.694 1.00 2.82 H new ATOM 0 HA HIS A 41 -5.618 13.928 17.204 1.00 2.73 H new ATOM 0 HB2 HIS A 41 -6.595 11.037 17.099 1.00 3.31 H new ATOM 0 HB3 HIS A 41 -5.522 11.657 18.339 1.00 3.31 H new ATOM 0 HD2 HIS A 41 -9.153 11.086 18.141 1.00 4.40 H new ATOM 0 HE1 HIS A 41 -8.910 14.736 20.249 1.00 5.36 H new ATOM 0 HE2 HIS A 41 -10.475 12.800 19.642 1.00 6.16 H new ATOM 651 N PRO A 42 -3.411 12.619 16.745 1.00 15.11 N ATOM 652 CA PRO A 42 -2.098 12.189 16.247 1.00 16.08 C ATOM 653 C PRO A 42 -1.976 10.671 16.339 1.00 17.92 C ATOM 654 O PRO A 42 -2.345 10.069 17.327 1.00 17.13 O ATOM 655 CB PRO A 42 -1.112 12.858 17.200 1.00 16.41 C ATOM 656 CG PRO A 42 -1.888 13.134 18.501 1.00 13.79 C ATOM 657 CD PRO A 42 -3.384 13.177 18.115 1.00 16.28 C ATOM 0 HA PRO A 42 -1.927 12.457 15.204 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -0.254 12.212 17.388 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -0.726 13.784 16.773 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -1.699 12.354 19.239 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.575 14.078 18.948 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -3.991 12.585 18.800 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -3.775 14.194 18.140 1.00 16.28 H new ATOM 665 N VAL A 43 -1.456 10.048 15.326 1.00 16.29 N ATOM 666 CA VAL A 43 -1.307 8.572 15.369 1.00 14.28 C ATOM 667 C VAL A 43 0.173 8.213 15.445 1.00 9.00 C ATOM 668 O VAL A 43 0.935 8.471 14.535 1.00 7.99 O ATOM 669 CB VAL A 43 -1.924 7.956 14.114 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.300 8.576 13.862 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.016 8.220 12.909 1.00 20.57 C ATOM 0 H VAL A 43 -1.128 10.495 14.470 1.00 16.29 H new ATOM 0 HA VAL A 43 -1.819 8.181 16.248 1.00 14.28 H new ATOM 0 HB VAL A 43 -2.031 6.881 14.257 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -3.739 8.136 12.967 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -3.948 8.383 14.717 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.194 9.652 13.723 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -1.459 7.779 12.016 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -0.904 9.295 12.766 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.037 7.774 13.086 1.00 20.57 H new ATOM 681 N LEU A 44 0.590 7.619 16.525 1.00 10.19 N ATOM 682 CA LEU A 44 2.020 7.251 16.652 1.00 11.55 C ATOM 683 C LEU A 44 2.329 6.084 15.722 1.00 10.61 C ATOM 684 O LEU A 44 2.246 4.931 16.096 1.00 13.49 O ATOM 685 CB LEU A 44 2.330 6.858 18.088 1.00 10.60 C ATOM 686 CG LEU A 44 3.835 6.661 18.229 1.00 13.48 C ATOM 687 CD1 LEU A 44 4.527 8.027 18.265 1.00 15.65 C ATOM 688 CD2 LEU A 44 4.134 5.902 19.525 1.00 20.21 C ATOM 0 H LEU A 44 0.003 7.374 17.322 1.00 10.19 H new ATOM 0 HA LEU A 44 2.636 8.107 16.378 1.00 11.55 H new ATOM 0 HB2 LEU A 44 1.985 7.631 18.774 1.00 10.60 H new ATOM 0 HB3 LEU A 44 1.803 5.941 18.350 1.00 10.60 H new ATOM 0 HG LEU A 44 4.207 6.087 17.380 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.603 7.887 18.366 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.316 8.566 17.341 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.155 8.601 19.113 1.00 15.65 H new ATOM 0 HD21 LEU A 44 5.210 5.762 19.625 1.00 20.21 H new ATOM 0 HD22 LEU A 44 3.762 6.474 20.375 1.00 20.21 H new ATOM 0 HD23 LEU A 44 3.642 4.930 19.499 1.00 20.21 H new ATOM 700 N VAL A 45 2.690 6.383 14.511 1.00 10.81 N ATOM 701 CA VAL A 45 3.016 5.309 13.536 1.00 9.29 C ATOM 702 C VAL A 45 4.538 5.221 13.396 1.00 9.95 C ATOM 703 O VAL A 45 5.246 6.183 13.618 1.00 9.36 O ATOM 704 CB VAL A 45 2.372 5.637 12.186 1.00 4.64 C ATOM 705 CG1 VAL A 45 3.155 6.755 11.494 1.00 7.95 C ATOM 706 CG2 VAL A 45 2.372 4.387 11.301 1.00 10.20 C ATOM 0 H VAL A 45 2.774 7.333 14.150 1.00 10.81 H new ATOM 0 HA VAL A 45 2.630 4.350 13.882 1.00 9.29 H new ATOM 0 HB VAL A 45 1.346 5.967 12.349 1.00 4.64 H new ATOM 0 HG11 VAL A 45 2.692 6.983 10.534 1.00 7.95 H new ATOM 0 HG12 VAL A 45 3.148 7.646 12.122 1.00 7.95 H new ATOM 0 HG13 VAL A 45 4.184 6.433 11.333 1.00 7.95 H new ATOM 0 HG21 VAL A 45 1.913 4.621 10.340 1.00 10.20 H new ATOM 0 HG22 VAL A 45 3.398 4.054 11.142 1.00 10.20 H new ATOM 0 HG23 VAL A 45 1.805 3.595 11.790 1.00 10.20 H new ATOM 716 N LYS A 46 5.050 4.072 13.053 1.00 10.76 N ATOM 717 CA LYS A 46 6.529 3.926 12.929 1.00 12.81 C ATOM 718 C LYS A 46 7.037 4.656 11.683 1.00 13.35 C ATOM 719 O LYS A 46 6.277 5.050 10.821 1.00 12.90 O ATOM 720 CB LYS A 46 6.886 2.442 12.830 1.00 17.04 C ATOM 721 CG LYS A 46 6.049 1.647 13.834 1.00 26.60 C ATOM 722 CD LYS A 46 6.664 0.260 14.024 1.00 33.77 C ATOM 723 CE LYS A 46 7.442 0.222 15.341 1.00 34.48 C ATOM 724 NZ LYS A 46 8.662 -0.616 15.170 1.00 36.74 N ATOM 0 H LYS A 46 4.511 3.229 12.853 1.00 10.76 H new ATOM 0 HA LYS A 46 7.001 4.363 13.809 1.00 12.81 H new ATOM 0 HB2 LYS A 46 6.701 2.079 11.819 1.00 17.04 H new ATOM 0 HB3 LYS A 46 7.948 2.298 13.031 1.00 17.04 H new ATOM 0 HG2 LYS A 46 6.009 2.173 14.788 1.00 26.60 H new ATOM 0 HG3 LYS A 46 5.023 1.556 13.477 1.00 26.60 H new ATOM 0 HD2 LYS A 46 5.881 -0.499 14.030 1.00 33.77 H new ATOM 0 HD3 LYS A 46 7.327 0.027 13.191 1.00 33.77 H new ATOM 0 HE2 LYS A 46 7.720 1.232 15.641 1.00 34.48 H new ATOM 0 HE3 LYS A 46 6.816 -0.185 16.135 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 9.193 -0.643 16.064 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 8.385 -1.582 14.902 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 9.261 -0.208 14.424 1.00 36.74 H new ATOM 738 N ILE A 47 8.327 4.832 11.592 1.00 13.96 N ATOM 739 CA ILE A 47 8.919 5.528 10.420 1.00 16.93 C ATOM 740 C ILE A 47 10.287 4.907 10.124 1.00 16.52 C ATOM 741 O ILE A 47 10.748 4.035 10.833 1.00 17.67 O ATOM 742 CB ILE A 47 9.064 7.028 10.742 1.00 19.74 C ATOM 743 CG1 ILE A 47 8.921 7.856 9.465 1.00 19.39 C ATOM 744 CG2 ILE A 47 10.430 7.313 11.367 1.00 18.08 C ATOM 745 CD1 ILE A 47 7.667 8.721 9.567 1.00 18.26 C ATOM 0 H ILE A 47 9.002 4.518 12.290 1.00 13.96 H new ATOM 0 HA ILE A 47 8.278 5.420 9.545 1.00 16.93 H new ATOM 0 HB ILE A 47 8.280 7.301 11.448 1.00 19.74 H new ATOM 0 HG12 ILE A 47 9.800 8.484 9.324 1.00 19.39 H new ATOM 0 HG13 ILE A 47 8.855 7.200 8.597 1.00 19.39 H new ATOM 0 HG21 ILE A 47 10.514 8.377 11.588 1.00 18.08 H new ATOM 0 HG22 ILE A 47 10.534 6.742 12.289 1.00 18.08 H new ATOM 0 HG23 ILE A 47 11.217 7.024 10.670 1.00 18.08 H new ATOM 0 HD11 ILE A 47 7.559 9.314 8.659 1.00 18.26 H new ATOM 0 HD12 ILE A 47 6.793 8.081 9.688 1.00 18.26 H new ATOM 0 HD13 ILE A 47 7.752 9.386 10.427 1.00 18.26 H new ATOM 757 N THR A 48 10.942 5.353 9.093 1.00 16.86 N ATOM 758 CA THR A 48 12.278 4.790 8.769 1.00 16.59 C ATOM 759 C THR A 48 13.333 5.893 8.866 1.00 19.04 C ATOM 760 O THR A 48 13.053 7.056 8.653 1.00 22.56 O ATOM 761 CB THR A 48 12.261 4.224 7.351 1.00 16.30 C ATOM 762 OG1 THR A 48 11.294 3.186 7.267 1.00 17.90 O ATOM 763 CG2 THR A 48 13.642 3.667 7.008 1.00 16.02 C ATOM 0 H THR A 48 10.611 6.082 8.461 1.00 16.86 H new ATOM 0 HA THR A 48 12.519 3.995 9.475 1.00 16.59 H new ATOM 0 HB THR A 48 12.005 5.015 6.646 1.00 16.30 H new ATOM 0 HG1 THR A 48 11.166 2.933 6.329 1.00 17.90 H new ATOM 0 HG21 THR A 48 13.630 3.263 5.996 1.00 16.02 H new ATOM 0 HG22 THR A 48 14.382 4.465 7.072 1.00 16.02 H new ATOM 0 HG23 THR A 48 13.900 2.876 7.712 1.00 16.02 H new ATOM 771 N LEU A 49 14.544 5.533 9.183 1.00 18.35 N ATOM 772 CA LEU A 49 15.627 6.544 9.293 1.00 18.82 C ATOM 773 C LEU A 49 16.772 6.123 8.371 1.00 20.06 C ATOM 774 O LEU A 49 16.982 4.951 8.128 1.00 18.35 O ATOM 775 CB LEU A 49 16.115 6.616 10.751 1.00 18.79 C ATOM 776 CG LEU A 49 16.106 8.065 11.236 1.00 18.24 C ATOM 777 CD1 LEU A 49 17.254 8.835 10.579 1.00 20.41 C ATOM 778 CD2 LEU A 49 14.771 8.723 10.875 1.00 14.50 C ATOM 0 H LEU A 49 14.831 4.573 9.372 1.00 18.35 H new ATOM 0 HA LEU A 49 15.262 7.529 9.000 1.00 18.82 H new ATOM 0 HB2 LEU A 49 15.474 6.007 11.388 1.00 18.79 H new ATOM 0 HB3 LEU A 49 17.122 6.205 10.827 1.00 18.79 H new ATOM 0 HG LEU A 49 16.234 8.082 12.318 1.00 18.24 H new ATOM 0 HD11 LEU A 49 17.245 9.868 10.927 1.00 20.41 H new ATOM 0 HD12 LEU A 49 18.203 8.370 10.846 1.00 20.41 H new ATOM 0 HD13 LEU A 49 17.132 8.816 9.496 1.00 20.41 H new ATOM 0 HD21 LEU A 49 14.769 9.756 11.223 1.00 14.50 H new ATOM 0 HD22 LEU A 49 14.637 8.704 9.793 1.00 14.50 H new ATOM 0 HD23 LEU A 49 13.956 8.178 11.352 1.00 14.50 H new ATOM 790 N ASP A 50 17.500 7.061 7.837 1.00 22.62 N ATOM 791 CA ASP A 50 18.614 6.698 6.916 1.00 27.04 C ATOM 792 C ASP A 50 19.961 6.895 7.613 1.00 27.73 C ATOM 793 O ASP A 50 20.147 7.816 8.384 1.00 26.65 O ATOM 794 CB ASP A 50 18.552 7.581 5.668 1.00 29.11 C ATOM 795 CG ASP A 50 19.256 6.875 4.508 1.00 30.37 C ATOM 796 OD1 ASP A 50 19.699 5.755 4.704 1.00 30.76 O ATOM 797 OD2 ASP A 50 19.341 7.467 3.445 1.00 33.99 O ATOM 0 H ASP A 50 17.374 8.061 7.997 1.00 22.62 H new ATOM 0 HA ASP A 50 18.512 5.651 6.631 1.00 27.04 H new ATOM 0 HB2 ASP A 50 17.514 7.787 5.406 1.00 29.11 H new ATOM 0 HB3 ASP A 50 19.027 8.542 5.865 1.00 29.11 H new ATOM 802 N GLU A 51 20.903 6.033 7.341 1.00 31.16 N ATOM 803 CA GLU A 51 22.244 6.158 7.977 1.00 34.22 C ATOM 804 C GLU A 51 22.747 7.596 7.829 1.00 34.98 C ATOM 805 O GLU A 51 22.793 8.139 6.744 1.00 34.19 O ATOM 806 CB GLU A 51 23.221 5.206 7.282 1.00 38.24 C ATOM 807 CG GLU A 51 23.880 4.296 8.320 1.00 46.84 C ATOM 808 CD GLU A 51 25.271 3.891 7.832 1.00 51.38 C ATOM 809 OE1 GLU A 51 25.407 3.620 6.650 1.00 54.92 O ATOM 810 OE2 GLU A 51 26.178 3.859 8.648 1.00 53.83 O ATOM 0 H GLU A 51 20.800 5.244 6.703 1.00 31.16 H new ATOM 0 HA GLU A 51 22.172 5.905 9.035 1.00 34.22 H new ATOM 0 HB2 GLU A 51 22.694 4.606 6.540 1.00 38.24 H new ATOM 0 HB3 GLU A 51 23.982 5.776 6.748 1.00 38.24 H new ATOM 0 HG2 GLU A 51 23.955 4.812 9.277 1.00 46.84 H new ATOM 0 HG3 GLU A 51 23.268 3.409 8.483 1.00 46.84 H new ATOM 817 N GLY A 52 23.129 8.216 8.912 1.00 34.53 N ATOM 818 CA GLY A 52 23.633 9.616 8.827 1.00 34.93 C ATOM 819 C GLY A 52 22.470 10.593 9.005 1.00 36.10 C ATOM 820 O GLY A 52 22.645 11.700 9.474 1.00 35.97 O ATOM 0 H GLY A 52 23.114 7.815 9.850 1.00 34.53 H new ATOM 0 HA2 GLY A 52 24.387 9.789 9.595 1.00 34.93 H new ATOM 0 HA3 GLY A 52 24.116 9.781 7.864 1.00 34.93 H new ATOM 824 N GLN A 53 21.284 10.197 8.631 1.00 36.52 N ATOM 825 CA GLN A 53 20.115 11.109 8.778 1.00 35.40 C ATOM 826 C GLN A 53 19.702 11.180 10.251 1.00 31.02 C ATOM 827 O GLN A 53 19.654 10.170 10.925 1.00 29.05 O ATOM 828 CB GLN A 53 18.943 10.573 7.953 1.00 41.20 C ATOM 829 CG GLN A 53 18.657 11.525 6.791 1.00 47.61 C ATOM 830 CD GLN A 53 17.222 11.321 6.304 1.00 53.32 C ATOM 831 OE1 GLN A 53 16.304 11.242 7.095 1.00 53.91 O ATOM 832 NE2 GLN A 53 16.988 11.230 5.023 1.00 54.76 N ATOM 0 H GLN A 53 21.074 9.283 8.231 1.00 36.52 H new ATOM 0 HA GLN A 53 20.388 12.104 8.426 1.00 35.40 H new ATOM 0 HB2 GLN A 53 19.177 9.579 7.573 1.00 41.20 H new ATOM 0 HB3 GLN A 53 18.058 10.474 8.581 1.00 41.20 H new ATOM 0 HG2 GLN A 53 18.801 12.558 7.109 1.00 47.61 H new ATOM 0 HG3 GLN A 53 19.358 11.342 5.977 1.00 47.61 H new ATOM 0 HE21 GLN A 53 17.758 11.296 4.358 1.00 54.76 H new ATOM 0 HE22 GLN A 53 16.035 11.093 4.687 1.00 54.76 H new ATOM 841 N PRO A 54 19.403 12.372 10.709 1.00 27.43 N ATOM 842 CA PRO A 54 18.979 12.599 12.099 1.00 23.44 C ATOM 843 C PRO A 54 17.508 12.209 12.267 1.00 20.14 C ATOM 844 O PRO A 54 16.647 12.694 11.561 1.00 21.64 O ATOM 845 CB PRO A 54 19.173 14.102 12.296 1.00 24.39 C ATOM 846 CG PRO A 54 19.149 14.729 10.887 1.00 27.18 C ATOM 847 CD PRO A 54 19.461 13.599 9.890 1.00 28.37 C ATOM 0 HA PRO A 54 19.539 12.009 12.824 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.382 14.518 12.920 1.00 24.39 H new ATOM 0 HB3 PRO A 54 20.118 14.310 12.798 1.00 24.39 H new ATOM 0 HG2 PRO A 54 18.175 15.171 10.677 1.00 27.18 H new ATOM 0 HG3 PRO A 54 19.886 15.529 10.807 1.00 27.18 H new ATOM 0 HD2 PRO A 54 18.734 13.571 9.078 1.00 28.37 H new ATOM 0 HD3 PRO A 54 20.443 13.729 9.435 1.00 28.37 H new ATOM 855 N ALA A 55 17.217 11.328 13.189 1.00 17.21 N ATOM 856 CA ALA A 55 15.806 10.898 13.399 1.00 15.58 C ATOM 857 C ALA A 55 14.868 12.104 13.284 1.00 16.41 C ATOM 858 O ALA A 55 15.223 13.216 13.620 1.00 13.65 O ATOM 859 CB ALA A 55 15.675 10.271 14.786 1.00 13.98 C ATOM 0 H ALA A 55 17.899 10.888 13.806 1.00 17.21 H new ATOM 0 HA ALA A 55 15.532 10.167 12.639 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.644 9.954 14.946 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.336 9.407 14.859 1.00 13.98 H new ATOM 0 HB3 ALA A 55 15.951 11.004 15.544 1.00 13.98 H new ATOM 865 N TYR A 56 13.672 11.889 12.803 1.00 15.93 N ATOM 866 CA TYR A 56 12.708 13.018 12.658 1.00 14.61 C ATOM 867 C TYR A 56 12.717 13.853 13.940 1.00 15.51 C ATOM 868 O TYR A 56 12.199 13.451 14.959 1.00 17.19 O ATOM 869 CB TYR A 56 11.301 12.462 12.396 1.00 12.92 C ATOM 870 CG TYR A 56 11.316 11.653 11.113 1.00 11.75 C ATOM 871 CD1 TYR A 56 11.704 10.309 11.143 1.00 7.14 C ATOM 872 CD2 TYR A 56 10.964 12.252 9.897 1.00 12.42 C ATOM 873 CE1 TYR A 56 11.738 9.563 9.962 1.00 7.90 C ATOM 874 CE2 TYR A 56 10.996 11.503 8.715 1.00 11.47 C ATOM 875 CZ TYR A 56 11.384 10.158 8.748 1.00 10.29 C ATOM 876 OH TYR A 56 11.418 9.421 7.582 1.00 12.03 O ATOM 0 H TYR A 56 13.321 10.979 12.504 1.00 15.93 H new ATOM 0 HA TYR A 56 12.999 13.648 11.817 1.00 14.61 H new ATOM 0 HB2 TYR A 56 10.983 11.837 13.230 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.583 13.278 12.317 1.00 12.92 H new ATOM 0 HD1 TYR A 56 11.978 9.848 12.080 1.00 7.14 H new ATOM 0 HD2 TYR A 56 10.668 13.290 9.871 1.00 12.42 H new ATOM 0 HE1 TYR A 56 12.038 8.526 9.987 1.00 7.90 H new ATOM 0 HE2 TYR A 56 10.721 11.963 7.777 1.00 11.47 H new ATOM 0 HH TYR A 56 11.920 8.593 7.733 1.00 12.03 H new ATOM 886 N ALA A 57 13.315 15.012 13.898 1.00 13.38 N ATOM 887 CA ALA A 57 13.366 15.868 15.116 1.00 14.95 C ATOM 888 C ALA A 57 11.943 16.166 15.595 1.00 15.46 C ATOM 889 O ALA A 57 10.983 15.805 14.944 1.00 17.82 O ATOM 890 CB ALA A 57 14.078 17.181 14.785 1.00 14.98 C ATOM 0 H ALA A 57 13.770 15.403 13.073 1.00 13.38 H new ATOM 0 HA ALA A 57 13.910 15.346 15.903 1.00 14.95 H new ATOM 0 HB1 ALA A 57 14.116 17.809 15.675 1.00 14.98 H new ATOM 0 HB2 ALA A 57 15.092 16.970 14.446 1.00 14.98 H new ATOM 0 HB3 ALA A 57 13.534 17.702 13.997 1.00 14.98 H new ATOM 896 N PRO A 58 11.854 16.824 16.723 1.00 15.20 N ATOM 897 CA PRO A 58 10.563 17.197 17.324 1.00 16.55 C ATOM 898 C PRO A 58 9.977 18.411 16.602 1.00 16.75 C ATOM 899 O PRO A 58 10.523 19.496 16.646 1.00 17.28 O ATOM 900 CB PRO A 58 10.924 17.541 18.771 1.00 15.65 C ATOM 901 CG PRO A 58 12.431 17.893 18.772 1.00 14.16 C ATOM 902 CD PRO A 58 13.031 17.259 17.503 1.00 13.96 C ATOM 0 HA PRO A 58 9.812 16.410 17.257 1.00 16.55 H new ATOM 0 HB2 PRO A 58 10.329 18.380 19.131 1.00 15.65 H new ATOM 0 HB3 PRO A 58 10.721 16.699 19.433 1.00 15.65 H new ATOM 0 HG2 PRO A 58 12.577 18.973 18.772 1.00 14.16 H new ATOM 0 HG3 PRO A 58 12.919 17.506 19.667 1.00 14.16 H new ATOM 0 HD2 PRO A 58 13.634 17.976 16.947 1.00 13.96 H new ATOM 0 HD3 PRO A 58 13.680 16.418 17.747 1.00 13.96 H new ATOM 910 N GLY A 59 8.873 18.236 15.933 1.00 17.22 N ATOM 911 CA GLY A 59 8.258 19.377 15.204 1.00 15.08 C ATOM 912 C GLY A 59 7.049 18.883 14.412 1.00 14.96 C ATOM 913 O GLY A 59 6.729 17.713 14.425 1.00 13.79 O ATOM 0 H GLY A 59 8.370 17.352 15.860 1.00 17.22 H new ATOM 0 HA2 GLY A 59 7.953 20.151 15.909 1.00 15.08 H new ATOM 0 HA3 GLY A 59 8.987 19.828 14.531 1.00 15.08 H new ATOM 917 N LEU A 60 6.380 19.758 13.711 1.00 15.83 N ATOM 918 CA LEU A 60 5.207 19.320 12.906 1.00 14.53 C ATOM 919 C LEU A 60 5.726 18.600 11.664 1.00 14.15 C ATOM 920 O LEU A 60 6.770 18.936 11.143 1.00 13.27 O ATOM 921 CB LEU A 60 4.385 20.540 12.484 1.00 15.84 C ATOM 922 CG LEU A 60 3.246 20.757 13.478 1.00 16.91 C ATOM 923 CD1 LEU A 60 3.774 21.504 14.705 1.00 19.57 C ATOM 924 CD2 LEU A 60 2.139 21.582 12.814 1.00 15.01 C ATOM 0 H LEU A 60 6.595 20.754 13.662 1.00 15.83 H new ATOM 0 HA LEU A 60 4.574 18.656 13.494 1.00 14.53 H new ATOM 0 HB2 LEU A 60 5.021 21.424 12.445 1.00 15.84 H new ATOM 0 HB3 LEU A 60 3.983 20.392 11.482 1.00 15.84 H new ATOM 0 HG LEU A 60 2.844 19.792 13.786 1.00 16.91 H new ATOM 0 HD11 LEU A 60 2.961 21.659 15.414 1.00 19.57 H new ATOM 0 HD12 LEU A 60 4.561 20.917 15.178 1.00 19.57 H new ATOM 0 HD13 LEU A 60 4.176 22.469 14.398 1.00 19.57 H new ATOM 0 HD21 LEU A 60 1.326 21.737 13.523 1.00 15.01 H new ATOM 0 HD22 LEU A 60 2.540 22.547 12.505 1.00 15.01 H new ATOM 0 HD23 LEU A 60 1.762 21.049 11.941 1.00 15.01 H new ATOM 936 N TYR A 61 5.029 17.607 11.186 1.00 11.12 N ATOM 937 CA TYR A 61 5.529 16.885 9.987 1.00 9.57 C ATOM 938 C TYR A 61 4.436 16.689 8.959 1.00 11.76 C ATOM 939 O TYR A 61 3.265 16.870 9.213 1.00 11.26 O ATOM 940 CB TYR A 61 6.082 15.522 10.395 1.00 9.42 C ATOM 941 CG TYR A 61 7.501 15.709 10.842 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.763 16.315 12.071 1.00 10.26 C ATOM 943 CD2 TYR A 61 8.554 15.306 10.013 1.00 10.68 C ATOM 944 CE1 TYR A 61 9.080 16.520 12.478 1.00 13.99 C ATOM 945 CE2 TYR A 61 9.874 15.508 10.421 1.00 13.03 C ATOM 946 CZ TYR A 61 10.134 16.117 11.653 1.00 11.06 C ATOM 947 OH TYR A 61 11.437 16.320 12.062 1.00 14.61 O ATOM 0 H TYR A 61 4.146 17.269 11.569 1.00 11.12 H new ATOM 0 HA TYR A 61 6.317 17.492 9.541 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.483 15.094 11.199 1.00 9.42 H new ATOM 0 HB3 TYR A 61 6.036 14.826 9.557 1.00 9.42 H new ATOM 0 HD1 TYR A 61 6.946 16.625 12.706 1.00 10.26 H new ATOM 0 HD2 TYR A 61 8.346 14.840 9.061 1.00 10.68 H new ATOM 0 HE1 TYR A 61 9.286 16.989 13.429 1.00 13.99 H new ATOM 0 HE2 TYR A 61 10.691 15.195 9.788 1.00 13.03 H new ATOM 0 HH TYR A 61 11.467 16.382 13.040 1.00 14.61 H new ATOM 957 N THR A 62 4.839 16.302 7.794 1.00 12.22 N ATOM 958 CA THR A 62 3.887 16.049 6.702 1.00 14.26 C ATOM 959 C THR A 62 4.514 14.985 5.829 1.00 15.40 C ATOM 960 O THR A 62 5.595 15.161 5.302 1.00 16.24 O ATOM 961 CB THR A 62 3.667 17.316 5.893 1.00 15.07 C ATOM 962 OG1 THR A 62 4.868 17.663 5.218 1.00 18.36 O ATOM 963 CG2 THR A 62 3.257 18.446 6.833 1.00 11.61 C ATOM 0 H THR A 62 5.817 16.147 7.549 1.00 12.22 H new ATOM 0 HA THR A 62 2.919 15.730 7.089 1.00 14.26 H new ATOM 0 HB THR A 62 2.879 17.151 5.158 1.00 15.07 H new ATOM 0 HG1 THR A 62 5.273 16.857 4.835 1.00 18.36 H new ATOM 0 HG21 THR A 62 3.098 19.358 6.258 1.00 11.61 H new ATOM 0 HG22 THR A 62 2.335 18.175 7.347 1.00 11.61 H new ATOM 0 HG23 THR A 62 4.045 18.613 7.567 1.00 11.61 H new ATOM 971 N VAL A 63 3.877 13.874 5.689 1.00 14.65 N ATOM 972 CA VAL A 63 4.491 12.812 4.868 1.00 15.17 C ATOM 973 C VAL A 63 4.872 13.402 3.519 1.00 14.24 C ATOM 974 O VAL A 63 4.433 14.473 3.149 1.00 19.13 O ATOM 975 CB VAL A 63 3.528 11.649 4.692 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.330 10.394 4.360 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.752 11.429 5.995 1.00 18.64 C ATOM 0 H VAL A 63 2.970 13.653 6.100 1.00 14.65 H new ATOM 0 HA VAL A 63 5.382 12.430 5.366 1.00 15.17 H new ATOM 0 HB VAL A 63 2.826 11.865 3.887 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.651 9.551 4.231 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.890 10.553 3.438 1.00 14.85 H new ATOM 0 HG13 VAL A 63 5.024 10.180 5.173 1.00 14.85 H new ATOM 0 HG21 VAL A 63 2.061 10.595 5.871 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.451 11.204 6.801 1.00 18.64 H new ATOM 0 HG23 VAL A 63 2.192 12.331 6.242 1.00 18.64 H new ATOM 987 N HIS A 64 5.695 12.722 2.788 1.00 13.31 N ATOM 988 CA HIS A 64 6.119 13.251 1.466 1.00 10.78 C ATOM 989 C HIS A 64 5.786 12.221 0.388 1.00 14.19 C ATOM 990 O HIS A 64 6.199 11.075 0.460 1.00 11.59 O ATOM 991 CB HIS A 64 7.625 13.527 1.488 1.00 11.86 C ATOM 992 CG HIS A 64 7.964 14.583 0.472 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.281 14.703 -0.727 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.926 15.563 0.456 1.00 17.63 C ATOM 995 CE1 HIS A 64 7.841 15.711 -1.415 1.00 19.32 C ATOM 996 NE2 HIS A 64 8.849 16.273 -0.739 1.00 20.65 N ATOM 0 H HIS A 64 6.096 11.820 3.045 1.00 13.31 H new ATOM 0 HA HIS A 64 5.594 14.181 1.249 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.930 13.855 2.482 1.00 11.86 H new ATOM 0 HB3 HIS A 64 8.175 12.611 1.272 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.634 15.754 1.249 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.517 16.029 -2.395 1.00 19.32 H new ATOM 0 HE2 HIS A 64 9.435 17.054 -1.035 1.00 20.65 H new ATOM 1004 N LEU A 65 5.029 12.622 -0.604 1.00 12.93 N ATOM 1005 CA LEU A 65 4.640 11.684 -1.692 1.00 14.44 C ATOM 1006 C LEU A 65 5.869 11.303 -2.528 1.00 12.66 C ATOM 1007 O LEU A 65 5.792 10.481 -3.419 1.00 10.20 O ATOM 1008 CB LEU A 65 3.558 12.353 -2.560 1.00 14.94 C ATOM 1009 CG LEU A 65 4.171 12.998 -3.799 1.00 19.65 C ATOM 1010 CD1 LEU A 65 3.976 12.076 -5.001 1.00 15.75 C ATOM 1011 CD2 LEU A 65 3.497 14.344 -4.067 1.00 19.03 C ATOM 0 H LEU A 65 4.663 13.569 -0.703 1.00 12.93 H new ATOM 0 HA LEU A 65 4.235 10.765 -1.267 1.00 14.44 H new ATOM 0 HB2 LEU A 65 2.818 11.611 -2.860 1.00 14.94 H new ATOM 0 HB3 LEU A 65 3.033 13.108 -1.975 1.00 14.94 H new ATOM 0 HG LEU A 65 5.236 13.158 -3.634 1.00 19.65 H new ATOM 0 HD11 LEU A 65 4.414 12.536 -5.887 1.00 15.75 H new ATOM 0 HD12 LEU A 65 4.464 11.120 -4.809 1.00 15.75 H new ATOM 0 HD13 LEU A 65 2.911 11.913 -5.165 1.00 15.75 H new ATOM 0 HD21 LEU A 65 3.938 14.802 -4.953 1.00 19.03 H new ATOM 0 HD22 LEU A 65 2.430 14.191 -4.230 1.00 19.03 H new ATOM 0 HD23 LEU A 65 3.642 15.001 -3.209 1.00 19.03 H new ATOM 1023 N SER A 66 7.005 11.884 -2.242 1.00 13.51 N ATOM 1024 CA SER A 66 8.228 11.539 -3.013 1.00 10.39 C ATOM 1025 C SER A 66 8.446 10.028 -2.924 1.00 8.56 C ATOM 1026 O SER A 66 9.205 9.448 -3.675 1.00 11.70 O ATOM 1027 CB SER A 66 9.431 12.263 -2.408 1.00 12.88 C ATOM 1028 OG SER A 66 10.536 12.162 -3.297 1.00 14.72 O ATOM 0 H SER A 66 7.135 12.581 -1.509 1.00 13.51 H new ATOM 0 HA SER A 66 8.114 11.841 -4.054 1.00 10.39 H new ATOM 0 HB2 SER A 66 9.188 13.310 -2.230 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.685 11.826 -1.442 1.00 12.88 H new ATOM 0 HG SER A 66 11.309 12.627 -2.913 1.00 14.72 H new ATOM 1034 N SER A 67 7.786 9.390 -1.991 1.00 7.98 N ATOM 1035 CA SER A 67 7.948 7.921 -1.820 1.00 8.20 C ATOM 1036 C SER A 67 6.839 7.165 -2.562 1.00 11.02 C ATOM 1037 O SER A 67 6.854 5.953 -2.639 1.00 11.45 O ATOM 1038 CB SER A 67 7.878 7.580 -0.332 1.00 8.01 C ATOM 1039 OG SER A 67 8.805 8.393 0.376 1.00 11.22 O ATOM 0 H SER A 67 7.138 9.830 -1.338 1.00 7.98 H new ATOM 0 HA SER A 67 8.912 7.623 -2.232 1.00 8.20 H new ATOM 0 HB2 SER A 67 6.869 7.746 0.045 1.00 8.01 H new ATOM 0 HB3 SER A 67 8.107 6.526 -0.177 1.00 8.01 H new ATOM 0 HG SER A 67 9.276 7.849 1.042 1.00 11.22 H new ATOM 1045 N PHE A 68 5.867 7.858 -3.095 1.00 10.09 N ATOM 1046 CA PHE A 68 4.763 7.150 -3.806 1.00 11.79 C ATOM 1047 C PHE A 68 5.189 6.842 -5.239 1.00 12.69 C ATOM 1048 O PHE A 68 6.090 7.454 -5.778 1.00 14.25 O ATOM 1049 CB PHE A 68 3.506 8.028 -3.837 1.00 10.08 C ATOM 1050 CG PHE A 68 3.192 8.562 -2.458 1.00 11.89 C ATOM 1051 CD1 PHE A 68 3.910 8.131 -1.330 1.00 10.16 C ATOM 1052 CD2 PHE A 68 2.189 9.527 -2.316 1.00 12.12 C ATOM 1053 CE1 PHE A 68 3.621 8.668 -0.072 1.00 9.89 C ATOM 1054 CE2 PHE A 68 1.905 10.065 -1.058 1.00 10.35 C ATOM 1055 CZ PHE A 68 2.622 9.636 0.062 1.00 11.87 C ATOM 0 H PHE A 68 5.790 8.875 -3.069 1.00 10.09 H new ATOM 0 HA PHE A 68 4.544 6.223 -3.277 1.00 11.79 H new ATOM 0 HB2 PHE A 68 3.653 8.858 -4.529 1.00 10.08 H new ATOM 0 HB3 PHE A 68 2.661 7.449 -4.209 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.684 7.386 -1.435 1.00 10.16 H new ATOM 0 HD2 PHE A 68 1.633 9.857 -3.181 1.00 12.12 H new ATOM 0 HE1 PHE A 68 4.170 8.335 0.796 1.00 9.89 H new ATOM 0 HE2 PHE A 68 1.132 10.812 -0.951 1.00 10.35 H new ATOM 0 HZ PHE A 68 2.404 10.054 1.034 1.00 11.87 H new ATOM 1065 N LYS A 69 4.541 5.898 -5.860 1.00 12.51 N ATOM 1066 CA LYS A 69 4.894 5.544 -7.262 1.00 15.38 C ATOM 1067 C LYS A 69 3.700 4.855 -7.924 1.00 15.02 C ATOM 1068 O LYS A 69 2.718 4.540 -7.282 1.00 15.36 O ATOM 1069 CB LYS A 69 6.093 4.596 -7.264 1.00 16.04 C ATOM 1070 CG LYS A 69 7.322 5.328 -6.724 1.00 20.35 C ATOM 1071 CD LYS A 69 8.542 4.410 -6.808 1.00 21.35 C ATOM 1072 CE LYS A 69 9.051 4.107 -5.397 1.00 30.24 C ATOM 1073 NZ LYS A 69 10.529 4.290 -5.352 1.00 32.70 N ATOM 0 H LYS A 69 3.779 5.354 -5.455 1.00 12.51 H new ATOM 0 HA LYS A 69 5.148 6.449 -7.814 1.00 15.38 H new ATOM 0 HB2 LYS A 69 5.879 3.721 -6.651 1.00 16.04 H new ATOM 0 HB3 LYS A 69 6.285 4.237 -8.275 1.00 16.04 H new ATOM 0 HG2 LYS A 69 7.498 6.237 -7.299 1.00 20.35 H new ATOM 0 HG3 LYS A 69 7.153 5.631 -5.691 1.00 20.35 H new ATOM 0 HD2 LYS A 69 8.279 3.483 -7.318 1.00 21.35 H new ATOM 0 HD3 LYS A 69 9.328 4.885 -7.395 1.00 21.35 H new ATOM 0 HE2 LYS A 69 8.570 4.768 -4.676 1.00 30.24 H new ATOM 0 HE3 LYS A 69 8.792 3.086 -5.117 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 10.875 4.084 -4.393 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 10.980 3.642 -6.029 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 10.765 5.272 -5.602 1.00 32.70 H new ATOM 1087 N VAL A 70 3.778 4.617 -9.202 1.00 13.65 N ATOM 1088 CA VAL A 70 2.649 3.946 -9.906 1.00 13.49 C ATOM 1089 C VAL A 70 3.061 2.516 -10.258 1.00 11.85 C ATOM 1090 O VAL A 70 3.736 2.275 -11.239 1.00 12.13 O ATOM 1091 CB VAL A 70 2.296 4.702 -11.190 1.00 14.48 C ATOM 1092 CG1 VAL A 70 0.780 4.901 -11.264 1.00 14.02 C ATOM 1093 CG2 VAL A 70 2.991 6.069 -11.214 1.00 15.63 C ATOM 0 H VAL A 70 4.575 4.858 -9.791 1.00 13.65 H new ATOM 0 HA VAL A 70 1.776 3.936 -9.253 1.00 13.49 H new ATOM 0 HB VAL A 70 2.635 4.119 -12.046 1.00 14.48 H new ATOM 0 HG11 VAL A 70 0.528 5.439 -12.178 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.285 3.930 -11.267 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.446 5.476 -10.400 1.00 14.02 H new ATOM 0 HG21 VAL A 70 2.730 6.594 -12.133 1.00 15.63 H new ATOM 0 HG22 VAL A 70 2.667 6.657 -10.356 1.00 15.63 H new ATOM 0 HG23 VAL A 70 4.071 5.929 -11.171 1.00 15.63 H new ATOM 1103 N GLY A 71 2.662 1.567 -9.459 1.00 11.15 N ATOM 1104 CA GLY A 71 3.032 0.149 -9.736 1.00 11.07 C ATOM 1105 C GLY A 71 2.144 -0.411 -10.848 1.00 12.15 C ATOM 1106 O GLY A 71 1.699 0.307 -11.722 1.00 12.70 O ATOM 0 H GLY A 71 2.094 1.711 -8.624 1.00 11.15 H new ATOM 0 HA2 GLY A 71 4.080 0.088 -10.030 1.00 11.07 H new ATOM 0 HA3 GLY A 71 2.919 -0.449 -8.832 1.00 11.07 H new ATOM 1110 N GLN A 72 1.884 -1.690 -10.824 1.00 15.78 N ATOM 1111 CA GLN A 72 1.029 -2.295 -11.879 1.00 19.42 C ATOM 1112 C GLN A 72 -0.353 -2.601 -11.308 1.00 16.97 C ATOM 1113 O GLN A 72 -1.093 -3.409 -11.832 1.00 20.46 O ATOM 1114 CB GLN A 72 1.679 -3.576 -12.395 1.00 22.64 C ATOM 1115 CG GLN A 72 1.641 -4.634 -11.300 1.00 25.29 C ATOM 1116 CD GLN A 72 3.038 -4.809 -10.708 1.00 26.29 C ATOM 1117 OE1 GLN A 72 3.900 -5.409 -11.319 1.00 26.22 O ATOM 1118 NE2 GLN A 72 3.301 -4.306 -9.532 1.00 25.15 N ATOM 0 H GLN A 72 2.228 -2.341 -10.118 1.00 15.78 H new ATOM 0 HA GLN A 72 0.923 -1.593 -12.706 1.00 19.42 H new ATOM 0 HB2 GLN A 72 1.153 -3.933 -13.281 1.00 22.64 H new ATOM 0 HB3 GLN A 72 2.709 -3.381 -12.693 1.00 22.64 H new ATOM 0 HG2 GLN A 72 0.939 -4.340 -10.520 1.00 25.29 H new ATOM 0 HG3 GLN A 72 1.286 -5.581 -11.707 1.00 25.29 H new ATOM 0 HE21 GLN A 72 2.577 -3.802 -9.019 1.00 25.15 H new ATOM 0 HE22 GLN A 72 4.230 -4.417 -9.126 1.00 25.15 H new ATOM 1127 N PHE A 73 -0.704 -1.950 -10.241 1.00 14.56 N ATOM 1128 CA PHE A 73 -2.040 -2.183 -9.626 1.00 14.60 C ATOM 1129 C PHE A 73 -3.055 -1.229 -10.260 1.00 15.63 C ATOM 1130 O PHE A 73 -4.249 -1.370 -10.084 1.00 17.80 O ATOM 1131 CB PHE A 73 -1.966 -1.920 -8.119 1.00 12.63 C ATOM 1132 CG PHE A 73 -2.044 -3.230 -7.369 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -1.066 -4.211 -7.571 1.00 16.27 C ATOM 1134 CD2 PHE A 73 -3.093 -3.461 -6.471 1.00 19.79 C ATOM 1135 CE1 PHE A 73 -1.138 -5.424 -6.874 1.00 20.44 C ATOM 1136 CE2 PHE A 73 -3.164 -4.674 -5.775 1.00 18.68 C ATOM 1137 CZ PHE A 73 -2.186 -5.655 -5.976 1.00 17.88 C ATOM 0 H PHE A 73 -0.122 -1.262 -9.763 1.00 14.56 H new ATOM 0 HA PHE A 73 -2.346 -3.215 -9.796 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -1.037 -1.405 -7.875 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -2.783 -1.266 -7.814 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -0.257 -4.033 -8.264 1.00 16.27 H new ATOM 0 HD2 PHE A 73 -3.847 -2.704 -6.315 1.00 19.79 H new ATOM 0 HE1 PHE A 73 -0.384 -6.181 -7.030 1.00 20.44 H new ATOM 0 HE2 PHE A 73 -3.974 -4.853 -5.083 1.00 18.68 H new ATOM 0 HZ PHE A 73 -2.240 -6.590 -5.438 1.00 17.88 H new ATOM 1147 N GLY A 74 -2.587 -0.258 -10.998 1.00 13.82 N ATOM 1148 CA GLY A 74 -3.520 0.707 -11.644 1.00 13.44 C ATOM 1149 C GLY A 74 -3.871 1.818 -10.654 1.00 10.42 C ATOM 1150 O GLY A 74 -4.900 2.456 -10.762 1.00 13.62 O ATOM 0 H GLY A 74 -1.597 -0.092 -11.181 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -3.060 1.132 -12.536 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -4.426 0.193 -11.966 1.00 13.44 H new ATOM 1154 N SER A 75 -3.025 2.058 -9.690 1.00 12.64 N ATOM 1155 CA SER A 75 -3.317 3.129 -8.697 1.00 12.47 C ATOM 1156 C SER A 75 -2.025 3.537 -7.986 1.00 12.47 C ATOM 1157 O SER A 75 -1.105 2.756 -7.850 1.00 11.32 O ATOM 1158 CB SER A 75 -4.321 2.607 -7.666 1.00 11.21 C ATOM 1159 OG SER A 75 -3.617 1.979 -6.603 1.00 18.27 O ATOM 0 H SER A 75 -2.146 1.560 -9.548 1.00 12.64 H new ATOM 0 HA SER A 75 -3.736 3.994 -9.211 1.00 12.47 H new ATOM 0 HB2 SER A 75 -4.926 3.428 -7.282 1.00 11.21 H new ATOM 0 HB3 SER A 75 -5.005 1.899 -8.133 1.00 11.21 H new ATOM 0 HG SER A 75 -4.256 1.645 -5.940 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.952 4.758 -7.529 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.724 5.224 -6.823 1.00 12.18 C ATOM 1167 C LEU A 76 -0.529 4.402 -5.547 1.00 12.07 C ATOM 1168 O LEU A 76 -1.478 3.952 -4.936 1.00 9.82 O ATOM 1169 CB LEU A 76 -0.881 6.705 -6.464 1.00 11.99 C ATOM 1170 CG LEU A 76 0.244 7.134 -5.519 1.00 8.87 C ATOM 1171 CD1 LEU A 76 0.492 8.637 -5.670 1.00 9.28 C ATOM 1172 CD2 LEU A 76 -0.160 6.825 -4.075 1.00 7.80 C ATOM 0 H LEU A 76 -2.692 5.455 -7.615 1.00 12.43 H new ATOM 0 HA LEU A 76 0.144 5.097 -7.470 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -0.859 7.312 -7.369 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.849 6.873 -5.991 1.00 11.99 H new ATOM 0 HG LEU A 76 1.155 6.590 -5.766 1.00 8.87 H new ATOM 0 HD11 LEU A 76 1.293 8.943 -4.997 1.00 9.28 H new ATOM 0 HD12 LEU A 76 0.778 8.857 -6.699 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -0.418 9.183 -5.422 1.00 9.28 H new ATOM 0 HD21 LEU A 76 0.640 7.130 -3.400 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -1.071 7.370 -3.827 1.00 7.80 H new ATOM 0 HD23 LEU A 76 -0.337 5.755 -3.968 1.00 7.80 H new ATOM 1184 N MET A 77 0.695 4.202 -5.139 1.00 14.08 N ATOM 1185 CA MET A 77 0.950 3.409 -3.904 1.00 14.12 C ATOM 1186 C MET A 77 2.240 3.896 -3.245 1.00 11.37 C ATOM 1187 O MET A 77 3.248 4.086 -3.895 1.00 11.44 O ATOM 1188 CB MET A 77 1.094 1.930 -4.267 1.00 16.48 C ATOM 1189 CG MET A 77 -0.266 1.369 -4.682 1.00 24.75 C ATOM 1190 SD MET A 77 -0.230 -0.438 -4.580 1.00 35.11 S ATOM 1191 CE MET A 77 -1.974 -0.679 -4.164 1.00 33.86 C ATOM 0 H MET A 77 1.529 4.554 -5.608 1.00 14.08 H new ATOM 0 HA MET A 77 0.116 3.535 -3.213 1.00 14.12 H new ATOM 0 HB2 MET A 77 1.810 1.813 -5.080 1.00 16.48 H new ATOM 0 HB3 MET A 77 1.484 1.372 -3.416 1.00 16.48 H new ATOM 0 HG2 MET A 77 -1.048 1.765 -4.034 1.00 24.75 H new ATOM 0 HG3 MET A 77 -0.506 1.682 -5.698 1.00 24.75 H new ATOM 0 HE1 MET A 77 -2.178 -1.744 -4.052 1.00 33.86 H new ATOM 0 HE2 MET A 77 -2.199 -0.166 -3.229 1.00 33.86 H new ATOM 0 HE3 MET A 77 -2.598 -0.272 -4.960 1.00 33.86 H new ATOM 1201 N ILE A 78 2.217 4.096 -1.957 1.00 11.78 N ATOM 1202 CA ILE A 78 3.443 4.567 -1.255 1.00 11.62 C ATOM 1203 C ILE A 78 4.521 3.482 -1.314 1.00 11.45 C ATOM 1204 O ILE A 78 4.248 2.311 -1.139 1.00 12.59 O ATOM 1205 CB ILE A 78 3.123 4.846 0.209 1.00 12.05 C ATOM 1206 CG1 ILE A 78 2.147 6.019 0.321 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.414 5.177 0.956 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.898 5.568 1.080 1.00 13.67 C ATOM 0 H ILE A 78 1.402 3.954 -1.360 1.00 11.78 H new ATOM 0 HA ILE A 78 3.798 5.476 -1.741 1.00 11.62 H new ATOM 0 HB ILE A 78 2.662 3.962 0.649 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.620 6.852 0.840 1.00 7.09 H new ATOM 0 HG13 ILE A 78 1.874 6.376 -0.672 1.00 7.09 H new ATOM 0 HG21 ILE A 78 4.187 5.377 2.003 1.00 10.70 H new ATOM 0 HG22 ILE A 78 5.100 4.333 0.888 1.00 10.70 H new ATOM 0 HG23 ILE A 78 4.877 6.058 0.510 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.201 6.402 1.161 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.422 4.748 0.542 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.180 5.232 2.078 1.00 13.67 H new ATOM 1220 N ASP A 79 5.745 3.866 -1.533 1.00 10.05 N ATOM 1221 CA ASP A 79 6.852 2.864 -1.576 1.00 14.79 C ATOM 1222 C ASP A 79 7.681 3.000 -0.295 1.00 15.20 C ATOM 1223 O ASP A 79 8.399 2.104 0.099 1.00 18.10 O ATOM 1224 CB ASP A 79 7.738 3.124 -2.796 1.00 12.21 C ATOM 1225 CG ASP A 79 8.563 1.872 -3.103 1.00 17.52 C ATOM 1226 OD1 ASP A 79 9.509 1.618 -2.376 1.00 21.87 O ATOM 1227 OD2 ASP A 79 8.235 1.189 -4.060 1.00 24.06 O ATOM 0 H ASP A 79 6.031 4.833 -1.685 1.00 10.05 H new ATOM 0 HA ASP A 79 6.441 1.857 -1.649 1.00 14.79 H new ATOM 0 HB2 ASP A 79 7.123 3.387 -3.656 1.00 12.21 H new ATOM 0 HB3 ASP A 79 8.398 3.970 -2.606 1.00 12.21 H new ATOM 1232 N ARG A 80 7.564 4.124 0.353 1.00 17.08 N ATOM 1233 CA ARG A 80 8.305 4.378 1.619 1.00 17.14 C ATOM 1234 C ARG A 80 8.074 5.836 1.991 1.00 14.98 C ATOM 1235 O ARG A 80 8.960 6.663 1.918 1.00 16.47 O ATOM 1236 CB ARG A 80 9.802 4.117 1.429 1.00 17.78 C ATOM 1237 CG ARG A 80 10.519 4.276 2.772 1.00 22.76 C ATOM 1238 CD ARG A 80 10.746 2.900 3.399 1.00 28.43 C ATOM 1239 NE ARG A 80 12.175 2.769 3.824 1.00 33.10 N ATOM 1240 CZ ARG A 80 13.157 3.076 3.014 1.00 30.84 C ATOM 1241 NH1 ARG A 80 12.931 3.334 1.752 1.00 33.12 N ATOM 1242 NH2 ARG A 80 14.384 3.069 3.460 1.00 35.04 N ATOM 0 H ARG A 80 6.971 4.896 0.050 1.00 17.08 H new ATOM 0 HA ARG A 80 7.951 3.713 2.407 1.00 17.14 H new ATOM 0 HB2 ARG A 80 9.961 3.113 1.036 1.00 17.78 H new ATOM 0 HB3 ARG A 80 10.214 4.814 0.699 1.00 17.78 H new ATOM 0 HG2 ARG A 80 11.473 4.783 2.628 1.00 22.76 H new ATOM 0 HG3 ARG A 80 9.925 4.898 3.441 1.00 22.76 H new ATOM 0 HD2 ARG A 80 10.088 2.768 4.258 1.00 28.43 H new ATOM 0 HD3 ARG A 80 10.496 2.117 2.682 1.00 28.43 H new ATOM 0 HE ARG A 80 12.388 2.434 4.763 1.00 33.10 H new ATOM 0 HH11 ARG A 80 11.979 3.298 1.386 1.00 33.12 H new ATOM 0 HH12 ARG A 80 13.706 3.572 1.133 1.00 33.12 H new ATOM 0 HH21 ARG A 80 14.572 2.826 4.433 1.00 35.04 H new ATOM 0 HH22 ARG A 80 15.155 3.307 2.836 1.00 35.04 H new ATOM 1256 N LEU A 81 6.862 6.141 2.354 1.00 11.03 N ATOM 1257 CA LEU A 81 6.475 7.534 2.707 1.00 11.27 C ATOM 1258 C LEU A 81 7.651 8.294 3.334 1.00 15.61 C ATOM 1259 O LEU A 81 8.146 7.947 4.387 1.00 18.56 O ATOM 1260 CB LEU A 81 5.270 7.482 3.653 1.00 13.62 C ATOM 1261 CG LEU A 81 5.720 7.498 5.110 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.483 7.520 6.012 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.539 6.233 5.399 1.00 18.72 C ATOM 0 H LEU A 81 6.102 5.464 2.423 1.00 11.03 H new ATOM 0 HA LEU A 81 6.199 8.078 1.803 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.615 8.332 3.461 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.688 6.581 3.458 1.00 13.62 H new ATOM 0 HG LEU A 81 6.332 8.380 5.301 1.00 12.84 H new ATOM 0 HD11 LEU A 81 4.794 7.532 7.056 1.00 11.44 H new ATOM 0 HD12 LEU A 81 3.893 8.412 5.799 1.00 11.44 H new ATOM 0 HD13 LEU A 81 3.879 6.632 5.823 1.00 11.44 H new ATOM 0 HD21 LEU A 81 6.863 6.239 6.440 1.00 18.72 H new ATOM 0 HD22 LEU A 81 5.924 5.352 5.216 1.00 18.72 H new ATOM 0 HD23 LEU A 81 7.412 6.208 4.747 1.00 18.72 H new ATOM 1275 N ARG A 82 8.099 9.337 2.685 1.00 13.37 N ATOM 1276 CA ARG A 82 9.234 10.127 3.236 1.00 12.72 C ATOM 1277 C ARG A 82 8.668 11.229 4.128 1.00 13.33 C ATOM 1278 O ARG A 82 8.121 12.202 3.655 1.00 13.27 O ATOM 1279 CB ARG A 82 10.034 10.752 2.091 1.00 13.85 C ATOM 1280 CG ARG A 82 11.530 10.605 2.375 1.00 16.22 C ATOM 1281 CD ARG A 82 12.236 10.055 1.134 1.00 16.62 C ATOM 1282 NE ARG A 82 13.017 11.145 0.483 1.00 15.85 N ATOM 1283 CZ ARG A 82 13.921 10.857 -0.414 1.00 17.96 C ATOM 1284 NH1 ARG A 82 14.137 9.614 -0.753 1.00 20.55 N ATOM 1285 NH2 ARG A 82 14.610 11.813 -0.974 1.00 16.89 N ATOM 0 H ARG A 82 7.726 9.674 1.797 1.00 13.37 H new ATOM 0 HA ARG A 82 9.894 9.479 3.813 1.00 12.72 H new ATOM 0 HB2 ARG A 82 9.782 10.265 1.149 1.00 13.85 H new ATOM 0 HB3 ARG A 82 9.775 11.805 1.985 1.00 13.85 H new ATOM 0 HG2 ARG A 82 11.955 11.570 2.650 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.686 9.936 3.221 1.00 16.22 H new ATOM 0 HD2 ARG A 82 12.898 9.235 1.412 1.00 16.62 H new ATOM 0 HD3 ARG A 82 11.504 9.650 0.435 1.00 16.62 H new ATOM 0 HE ARG A 82 12.845 12.117 0.739 1.00 15.85 H new ATOM 0 HH11 ARG A 82 13.599 8.865 -0.317 1.00 20.55 H new ATOM 0 HH12 ARG A 82 14.844 9.392 -1.454 1.00 20.55 H new ATOM 0 HH21 ARG A 82 14.442 12.784 -0.711 1.00 16.89 H new ATOM 0 HH22 ARG A 82 15.317 11.589 -1.675 1.00 16.89 H new ATOM 1299 N LEU A 83 8.771 11.075 5.415 1.00 13.53 N ATOM 1300 CA LEU A 83 8.210 12.108 6.331 1.00 13.86 C ATOM 1301 C LEU A 83 9.073 13.368 6.330 1.00 13.02 C ATOM 1302 O LEU A 83 10.283 13.316 6.232 1.00 14.40 O ATOM 1303 CB LEU A 83 8.139 11.565 7.754 1.00 9.93 C ATOM 1304 CG LEU A 83 6.716 11.711 8.290 1.00 8.07 C ATOM 1305 CD1 LEU A 83 6.720 11.456 9.799 1.00 8.88 C ATOM 1306 CD2 LEU A 83 6.216 13.132 8.015 1.00 10.58 C ATOM 0 H LEU A 83 9.218 10.281 5.874 1.00 13.53 H new ATOM 0 HA LEU A 83 7.210 12.358 5.976 1.00 13.86 H new ATOM 0 HB2 LEU A 83 8.438 10.517 7.769 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.836 12.105 8.395 1.00 9.93 H new ATOM 0 HG LEU A 83 6.060 10.992 7.798 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.707 11.559 10.188 1.00 8.88 H new ATOM 0 HD12 LEU A 83 7.084 10.448 9.997 1.00 8.88 H new ATOM 0 HD13 LEU A 83 7.372 12.180 10.289 1.00 8.88 H new ATOM 0 HD21 LEU A 83 5.201 13.241 8.396 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.869 13.850 8.512 1.00 10.58 H new ATOM 0 HD23 LEU A 83 6.222 13.319 6.941 1.00 10.58 H new ATOM 1318 N VAL A 84 8.442 14.500 6.452 1.00 11.81 N ATOM 1319 CA VAL A 84 9.176 15.784 6.478 1.00 12.86 C ATOM 1320 C VAL A 84 8.418 16.743 7.403 1.00 14.98 C ATOM 1321 O VAL A 84 7.232 16.584 7.604 1.00 13.59 O ATOM 1322 CB VAL A 84 9.217 16.353 5.061 1.00 14.61 C ATOM 1323 CG1 VAL A 84 10.021 15.421 4.154 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.788 16.482 4.525 1.00 17.34 C ATOM 0 H VAL A 84 7.429 14.586 6.536 1.00 11.81 H new ATOM 0 HA VAL A 84 10.195 15.646 6.839 1.00 12.86 H new ATOM 0 HB VAL A 84 9.691 17.334 5.078 1.00 14.61 H new ATOM 0 HG11 VAL A 84 10.048 15.830 3.144 1.00 17.65 H new ATOM 0 HG12 VAL A 84 11.038 15.330 4.536 1.00 17.65 H new ATOM 0 HG13 VAL A 84 9.551 14.438 4.135 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.814 16.888 3.514 1.00 17.34 H new ATOM 0 HG22 VAL A 84 7.315 15.500 4.510 1.00 17.34 H new ATOM 0 HG23 VAL A 84 7.217 17.150 5.169 1.00 17.34 H new ATOM 1334 N PRO A 85 9.110 17.719 7.926 1.00 18.65 N ATOM 1335 CA PRO A 85 8.501 18.722 8.815 1.00 22.41 C ATOM 1336 C PRO A 85 7.431 19.525 8.060 1.00 25.70 C ATOM 1337 O PRO A 85 7.553 19.781 6.879 1.00 22.08 O ATOM 1338 CB PRO A 85 9.684 19.583 9.262 1.00 21.19 C ATOM 1339 CG PRO A 85 10.790 19.344 8.222 1.00 18.95 C ATOM 1340 CD PRO A 85 10.542 17.930 7.670 1.00 20.63 C ATOM 0 HA PRO A 85 7.979 18.292 9.670 1.00 22.41 H new ATOM 0 HB2 PRO A 85 9.407 20.636 9.304 1.00 21.19 H new ATOM 0 HB3 PRO A 85 10.018 19.301 10.260 1.00 21.19 H new ATOM 0 HG2 PRO A 85 10.747 20.088 7.427 1.00 18.95 H new ATOM 0 HG3 PRO A 85 11.778 19.419 8.676 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.775 17.865 6.607 1.00 20.63 H new ATOM 0 HD3 PRO A 85 11.156 17.186 8.177 1.00 20.63 H new ATOM 1348 N ALA A 86 6.371 19.906 8.730 1.00 31.74 N ATOM 1349 CA ALA A 86 5.281 20.667 8.048 1.00 39.94 C ATOM 1350 C ALA A 86 5.746 22.099 7.772 1.00 46.96 C ATOM 1351 O ALA A 86 6.001 22.865 8.680 1.00 49.29 O ATOM 1352 CB ALA A 86 4.042 20.697 8.947 1.00 39.70 C ATOM 0 H ALA A 86 6.214 19.722 9.721 1.00 31.74 H new ATOM 0 HA ALA A 86 5.036 20.180 7.104 1.00 39.94 H new ATOM 0 HB1 ALA A 86 3.246 21.252 8.451 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.708 19.678 9.140 1.00 39.70 H new ATOM 0 HB3 ALA A 86 4.289 21.183 9.891 1.00 39.70 H new ATOM 1358 N LYS A 87 5.856 22.466 6.525 1.00 51.78 N ATOM 1359 CA LYS A 87 6.302 23.848 6.192 1.00 55.12 C ATOM 1360 C LYS A 87 7.790 23.998 6.518 1.00 55.82 C ATOM 1361 O LYS A 87 8.473 24.682 5.775 1.00 58.05 O ATOM 1362 CB LYS A 87 5.495 24.856 7.013 1.00 52.96 C ATOM 1363 CG LYS A 87 5.198 26.089 6.157 1.00 55.49 C ATOM 1364 CD LYS A 87 3.770 26.001 5.615 1.00 56.64 C ATOM 1365 CE LYS A 87 2.890 27.039 6.315 1.00 58.91 C ATOM 1366 NZ LYS A 87 2.100 27.787 5.296 1.00 58.16 N ATOM 1367 OXT LYS A 87 8.219 23.426 7.507 1.00 57.66 O ATOM 0 H LYS A 87 5.656 21.869 5.723 1.00 51.78 H new ATOM 0 HA LYS A 87 6.143 24.034 5.130 1.00 55.12 H new ATOM 0 HB2 LYS A 87 4.564 24.402 7.352 1.00 52.96 H new ATOM 0 HB3 LYS A 87 6.052 25.144 7.904 1.00 52.96 H new ATOM 0 HG2 LYS A 87 5.318 26.995 6.751 1.00 55.49 H new ATOM 0 HG3 LYS A 87 5.908 26.152 5.333 1.00 55.49 H new ATOM 0 HD2 LYS A 87 3.768 26.174 4.539 1.00 56.64 H new ATOM 0 HD3 LYS A 87 3.369 25.000 5.778 1.00 56.64 H new ATOM 0 HE2 LYS A 87 2.221 26.548 7.021 1.00 58.91 H new ATOM 0 HE3 LYS A 87 3.509 27.728 6.889 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 1.501 28.493 5.770 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 2.747 28.267 4.639 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 1.499 27.123 4.767 1.00 58.16 H new ATOM 1382 N MET B 1 1.301 17.289 -2.603 1.00 42.32 N ATOM 1383 CA MET B 1 -0.144 17.031 -2.861 1.00 40.89 C ATOM 1384 C MET B 1 -0.284 15.899 -3.882 1.00 34.75 C ATOM 1385 O MET B 1 -1.367 15.409 -4.134 1.00 33.97 O ATOM 1386 CB MET B 1 -0.802 18.307 -3.412 1.00 48.45 C ATOM 1387 CG MET B 1 -0.513 18.441 -4.914 1.00 56.13 C ATOM 1388 SD MET B 1 -0.032 20.145 -5.288 1.00 64.91 S ATOM 1389 CE MET B 1 1.737 19.958 -4.958 1.00 63.43 C ATOM 0 H1 MET B 1 1.398 18.069 -1.922 1.00 42.32 H new ATOM 0 H2 MET B 1 1.742 16.432 -2.213 1.00 42.32 H new ATOM 0 H3 MET B 1 1.772 17.546 -3.494 1.00 42.32 H new ATOM 0 HA MET B 1 -0.635 16.744 -1.931 1.00 40.89 H new ATOM 0 HB2 MET B 1 -1.878 18.273 -3.242 1.00 48.45 H new ATOM 0 HB3 MET B 1 -0.422 19.180 -2.881 1.00 48.45 H new ATOM 0 HG2 MET B 1 0.283 17.755 -5.204 1.00 56.13 H new ATOM 0 HG3 MET B 1 -1.396 18.166 -5.491 1.00 56.13 H new ATOM 0 HE1 MET B 1 2.247 20.899 -5.163 1.00 63.43 H new ATOM 0 HE2 MET B 1 1.885 19.685 -3.913 1.00 63.43 H new ATOM 0 HE3 MET B 1 2.146 19.177 -5.598 1.00 63.43 H new ATOM 1401 N ILE B 2 0.800 15.494 -4.484 1.00 28.59 N ATOM 1402 CA ILE B 2 0.719 14.411 -5.501 1.00 24.58 C ATOM 1403 C ILE B 2 -0.023 14.963 -6.715 1.00 19.29 C ATOM 1404 O ILE B 2 -1.171 14.649 -6.957 1.00 19.53 O ATOM 1405 CB ILE B 2 -0.039 13.217 -4.931 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.359 12.995 -3.471 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.313 11.971 -5.739 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.828 12.411 -2.715 1.00 33.80 C ATOM 0 H ILE B 2 1.735 15.865 -4.316 1.00 28.59 H new ATOM 0 HA ILE B 2 1.719 14.081 -5.783 1.00 24.58 H new ATOM 0 HB ILE B 2 -1.110 13.411 -4.987 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.212 12.319 -3.412 1.00 28.92 H new ATOM 0 HG13 ILE B 2 0.667 13.937 -3.018 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.225 11.113 -5.337 1.00 23.06 H new ATOM 0 HG22 ILE B 2 0.030 12.121 -6.781 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.386 11.788 -5.677 1.00 23.06 H new ATOM 0 HD11 ILE B 2 -0.552 12.250 -1.673 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.668 13.104 -2.765 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -1.115 11.461 -3.166 1.00 33.80 H new ATOM 1420 N LYS B 3 0.623 15.814 -7.456 1.00 18.14 N ATOM 1421 CA LYS B 3 -0.031 16.441 -8.639 1.00 16.66 C ATOM 1422 C LYS B 3 -0.592 15.388 -9.588 1.00 14.94 C ATOM 1423 O LYS B 3 -0.191 14.241 -9.587 1.00 13.94 O ATOM 1424 CB LYS B 3 0.984 17.312 -9.383 1.00 16.94 C ATOM 1425 CG LYS B 3 0.834 18.768 -8.935 1.00 17.85 C ATOM 1426 CD LYS B 3 1.712 19.666 -9.811 1.00 19.63 C ATOM 1427 CE LYS B 3 1.034 21.027 -9.988 1.00 26.28 C ATOM 1428 NZ LYS B 3 1.613 21.722 -11.173 1.00 32.72 N ATOM 0 H LYS B 3 1.586 16.107 -7.293 1.00 18.14 H new ATOM 0 HA LYS B 3 -0.860 17.053 -8.284 1.00 16.66 H new ATOM 0 HB2 LYS B 3 1.996 16.961 -9.182 1.00 16.94 H new ATOM 0 HB3 LYS B 3 0.827 17.234 -10.459 1.00 16.94 H new ATOM 0 HG2 LYS B 3 -0.209 19.077 -9.010 1.00 17.85 H new ATOM 0 HG3 LYS B 3 1.122 18.869 -7.889 1.00 17.85 H new ATOM 0 HD2 LYS B 3 2.692 19.793 -9.352 1.00 19.63 H new ATOM 0 HD3 LYS B 3 1.873 19.199 -10.783 1.00 19.63 H new ATOM 0 HE2 LYS B 3 -0.040 20.896 -10.119 1.00 26.28 H new ATOM 0 HE3 LYS B 3 1.174 21.634 -9.093 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 1.152 22.647 -11.293 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 2.634 21.860 -11.030 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 1.458 21.145 -12.024 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.532 15.793 -10.398 1.00 12.42 N ATOM 1443 CA VAL B 4 -2.164 14.863 -11.366 1.00 12.99 C ATOM 1444 C VAL B 4 -2.833 15.677 -12.474 1.00 14.26 C ATOM 1445 O VAL B 4 -2.990 16.877 -12.372 1.00 13.80 O ATOM 1446 CB VAL B 4 -3.224 14.022 -10.649 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.892 13.067 -11.641 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -2.581 13.217 -9.516 1.00 10.41 C ATOM 0 H VAL B 4 -1.892 16.747 -10.427 1.00 12.42 H new ATOM 0 HA VAL B 4 -1.406 14.206 -11.792 1.00 12.99 H new ATOM 0 HB VAL B 4 -3.976 14.690 -10.230 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -4.645 12.472 -11.123 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -4.367 13.642 -12.436 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -3.140 12.406 -12.072 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -3.344 12.623 -9.013 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -1.818 12.555 -9.927 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -2.122 13.899 -8.800 1.00 10.41 H new ATOM 1458 N GLU B 5 -3.228 15.029 -13.530 1.00 9.27 N ATOM 1459 CA GLU B 5 -3.889 15.744 -14.655 1.00 10.51 C ATOM 1460 C GLU B 5 -4.784 14.772 -15.399 1.00 10.00 C ATOM 1461 O GLU B 5 -4.332 13.950 -16.169 1.00 10.96 O ATOM 1462 CB GLU B 5 -2.829 16.294 -15.602 1.00 10.42 C ATOM 1463 CG GLU B 5 -2.324 17.621 -15.049 1.00 18.68 C ATOM 1464 CD GLU B 5 -1.497 18.345 -16.113 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -0.934 17.670 -16.959 1.00 22.12 O ATOM 1466 OE2 GLU B 5 -1.442 19.563 -16.064 1.00 19.38 O ATOM 0 H GLU B 5 -3.120 14.024 -13.664 1.00 9.27 H new ATOM 0 HA GLU B 5 -4.486 16.570 -14.268 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -2.005 15.587 -15.699 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -3.248 16.434 -16.598 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -3.166 18.243 -14.745 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -1.718 17.448 -14.160 1.00 18.68 H new ATOM 1473 N ILE B 6 -6.055 14.858 -15.176 1.00 9.86 N ATOM 1474 CA ILE B 6 -6.974 13.932 -15.887 1.00 10.60 C ATOM 1475 C ILE B 6 -6.979 14.320 -17.376 1.00 10.16 C ATOM 1476 O ILE B 6 -7.496 15.350 -17.759 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.387 14.002 -15.261 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.538 12.859 -14.250 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.465 13.854 -16.331 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -8.237 13.369 -12.840 1.00 13.81 C ATOM 0 H ILE B 6 -6.499 15.520 -14.540 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.640 12.899 -15.792 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.505 14.970 -14.774 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.550 12.456 -14.292 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -7.859 12.045 -14.504 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.449 13.907 -15.866 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.366 14.657 -17.061 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -9.351 12.892 -16.832 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.346 12.552 -12.127 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -7.217 13.751 -12.801 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -8.933 14.168 -12.586 1.00 13.81 H new ATOM 1492 N LYS B 7 -6.381 13.506 -18.213 1.00 11.63 N ATOM 1493 CA LYS B 7 -6.327 13.825 -19.666 1.00 11.59 C ATOM 1494 C LYS B 7 -7.720 14.244 -20.146 1.00 12.98 C ATOM 1495 O LYS B 7 -8.680 14.148 -19.408 1.00 9.79 O ATOM 1496 CB LYS B 7 -5.861 12.582 -20.432 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.420 12.769 -20.928 1.00 14.26 C ATOM 1498 CD LYS B 7 -3.561 13.430 -19.848 1.00 15.70 C ATOM 1499 CE LYS B 7 -3.141 14.825 -20.304 1.00 19.19 C ATOM 1500 NZ LYS B 7 -2.738 14.784 -21.738 1.00 25.43 N ATOM 0 H LYS B 7 -5.928 12.632 -17.946 1.00 11.63 H new ATOM 0 HA LYS B 7 -5.629 14.643 -19.843 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -5.919 11.706 -19.786 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -6.523 12.399 -21.278 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -3.994 11.803 -21.198 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -4.416 13.382 -21.829 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -4.120 13.495 -18.915 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -2.679 12.821 -19.649 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -3.964 15.526 -20.167 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -2.312 15.184 -19.693 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -2.016 15.511 -21.917 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -2.348 13.846 -21.962 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -3.568 14.966 -22.337 1.00 25.43 H new ATOM 1514 N PRO B 8 -7.787 14.699 -21.370 1.00 13.56 N ATOM 1515 CA PRO B 8 -9.051 15.145 -21.980 1.00 11.93 C ATOM 1516 C PRO B 8 -9.899 13.937 -22.375 1.00 10.20 C ATOM 1517 O PRO B 8 -11.101 14.028 -22.528 1.00 12.05 O ATOM 1518 CB PRO B 8 -8.598 15.933 -23.212 1.00 12.78 C ATOM 1519 CG PRO B 8 -7.176 15.429 -23.552 1.00 12.51 C ATOM 1520 CD PRO B 8 -6.613 14.805 -22.261 1.00 13.61 C ATOM 0 HA PRO B 8 -9.669 15.742 -21.310 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -9.278 15.771 -24.048 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -8.592 17.004 -23.008 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -7.207 14.694 -24.357 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -6.545 16.249 -23.894 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -6.168 13.828 -22.452 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -5.835 15.430 -21.823 1.00 13.61 H new ATOM 1528 N SER B 9 -9.278 12.806 -22.535 1.00 10.65 N ATOM 1529 CA SER B 9 -10.036 11.583 -22.913 1.00 10.83 C ATOM 1530 C SER B 9 -10.288 10.733 -21.664 1.00 10.94 C ATOM 1531 O SER B 9 -10.831 9.649 -21.740 1.00 13.16 O ATOM 1532 CB SER B 9 -9.228 10.775 -23.930 1.00 13.01 C ATOM 1533 OG SER B 9 -7.888 11.250 -23.948 1.00 15.52 O ATOM 0 H SER B 9 -8.273 12.674 -22.420 1.00 10.65 H new ATOM 0 HA SER B 9 -10.990 11.868 -23.355 1.00 10.83 H new ATOM 0 HB2 SER B 9 -9.248 9.717 -23.669 1.00 13.01 H new ATOM 0 HB3 SER B 9 -9.672 10.867 -24.921 1.00 13.01 H new ATOM 0 HG SER B 9 -7.367 10.733 -24.597 1.00 15.52 H new ATOM 1539 N GLN B 10 -9.903 11.218 -20.514 1.00 10.02 N ATOM 1540 CA GLN B 10 -10.126 10.440 -19.264 1.00 11.55 C ATOM 1541 C GLN B 10 -11.114 11.194 -18.372 1.00 13.72 C ATOM 1542 O GLN B 10 -10.971 11.232 -17.167 1.00 17.31 O ATOM 1543 CB GLN B 10 -8.803 10.269 -18.525 1.00 6.60 C ATOM 1544 CG GLN B 10 -7.730 9.825 -19.514 1.00 7.20 C ATOM 1545 CD GLN B 10 -7.979 8.374 -19.926 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -8.995 7.800 -19.587 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -7.088 7.752 -20.649 1.00 4.80 N ATOM 0 H GLN B 10 -9.444 12.120 -20.387 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.530 9.458 -19.512 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -8.513 11.207 -18.052 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -8.910 9.531 -17.730 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -7.742 10.470 -20.393 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -6.743 9.921 -19.062 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -6.235 8.234 -20.933 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -7.244 6.784 -20.930 1.00 4.80 H new ATOM 1556 N ALA B 11 -12.110 11.803 -18.956 1.00 15.28 N ATOM 1557 CA ALA B 11 -13.102 12.564 -18.142 1.00 18.95 C ATOM 1558 C ALA B 11 -14.432 11.807 -18.109 1.00 20.75 C ATOM 1559 O ALA B 11 -15.476 12.347 -18.417 1.00 24.78 O ATOM 1560 CB ALA B 11 -13.317 13.946 -18.761 1.00 17.72 C ATOM 0 H ALA B 11 -12.280 11.807 -19.962 1.00 15.28 H new ATOM 0 HA ALA B 11 -12.725 12.675 -17.125 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -14.042 14.502 -18.166 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -12.371 14.487 -18.780 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -13.692 13.835 -19.779 1.00 17.72 H new ATOM 1566 N GLN B 12 -14.398 10.559 -17.736 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.654 9.755 -17.678 1.00 25.43 C ATOM 1568 C GLN B 12 -15.323 8.354 -17.144 1.00 22.80 C ATOM 1569 O GLN B 12 -14.352 7.748 -17.551 1.00 20.93 O ATOM 1570 CB GLN B 12 -16.249 9.646 -19.088 1.00 30.18 C ATOM 1571 CG GLN B 12 -15.525 8.545 -19.859 1.00 42.11 C ATOM 1572 CD GLN B 12 -15.784 8.707 -21.357 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -16.675 8.087 -21.903 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -15.036 9.522 -22.051 1.00 47.90 N ATOM 0 H GLN B 12 -13.552 10.057 -17.467 1.00 22.50 H new ATOM 0 HA GLN B 12 -16.377 10.235 -17.019 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -17.314 9.424 -19.029 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -16.150 10.597 -19.611 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -14.455 8.591 -19.658 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -15.870 7.567 -19.524 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -14.288 10.043 -21.593 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -15.200 9.638 -23.051 1.00 47.90 H new ATOM 1583 N PHE B 13 -16.108 7.829 -16.242 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.808 6.476 -15.711 1.00 20.51 C ATOM 1585 C PHE B 13 -16.615 5.430 -16.471 1.00 18.83 C ATOM 1586 O PHE B 13 -17.478 5.745 -17.266 1.00 18.83 O ATOM 1587 CB PHE B 13 -16.201 6.421 -14.243 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.645 6.852 -14.119 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.671 5.919 -14.306 1.00 20.50 C ATOM 1590 CD2 PHE B 13 -17.957 8.187 -13.830 1.00 15.55 C ATOM 1591 CE1 PHE B 13 -20.008 6.320 -14.202 1.00 20.75 C ATOM 1592 CE2 PHE B 13 -19.292 8.587 -13.728 1.00 14.07 C ATOM 1593 CZ PHE B 13 -20.316 7.655 -13.913 1.00 18.48 C ATOM 0 H PHE B 13 -16.938 8.278 -15.854 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.744 6.273 -15.828 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -16.072 5.411 -13.853 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.558 7.075 -13.654 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.431 4.890 -14.530 1.00 20.50 H new ATOM 0 HD2 PHE B 13 -17.165 8.907 -13.686 1.00 15.55 H new ATOM 0 HE1 PHE B 13 -20.801 5.601 -14.344 1.00 20.75 H new ATOM 0 HE2 PHE B 13 -19.532 9.616 -13.506 1.00 14.07 H new ATOM 0 HZ PHE B 13 -21.348 7.965 -13.833 1.00 18.48 H new ATOM 1603 N THR B 14 -16.347 4.185 -16.213 1.00 14.89 N ATOM 1604 CA THR B 14 -17.099 3.100 -16.890 1.00 13.37 C ATOM 1605 C THR B 14 -17.437 2.029 -15.858 1.00 11.97 C ATOM 1606 O THR B 14 -16.845 1.968 -14.799 1.00 10.76 O ATOM 1607 CB THR B 14 -16.241 2.488 -17.998 1.00 13.68 C ATOM 1608 OG1 THR B 14 -16.967 1.445 -18.633 1.00 13.48 O ATOM 1609 CG2 THR B 14 -14.956 1.924 -17.393 1.00 9.24 C ATOM 0 H THR B 14 -15.633 3.870 -15.556 1.00 14.89 H new ATOM 0 HA THR B 14 -18.012 3.500 -17.331 1.00 13.37 H new ATOM 0 HB THR B 14 -15.989 3.254 -18.732 1.00 13.68 H new ATOM 0 HG1 THR B 14 -16.420 1.052 -19.345 1.00 13.48 H new ATOM 0 HG21 THR B 14 -14.344 1.487 -18.182 1.00 9.24 H new ATOM 0 HG22 THR B 14 -14.402 2.725 -16.905 1.00 9.24 H new ATOM 0 HG23 THR B 14 -15.205 1.156 -16.660 1.00 9.24 H new ATOM 1617 N THR B 15 -18.381 1.186 -16.150 1.00 13.20 N ATOM 1618 CA THR B 15 -18.746 0.127 -15.174 1.00 12.54 C ATOM 1619 C THR B 15 -17.951 -1.143 -15.480 1.00 14.34 C ATOM 1620 O THR B 15 -18.141 -1.776 -16.499 1.00 17.35 O ATOM 1621 CB THR B 15 -20.244 -0.168 -15.274 1.00 11.88 C ATOM 1622 OG1 THR B 15 -20.900 0.926 -15.898 1.00 17.15 O ATOM 1623 CG2 THR B 15 -20.816 -0.377 -13.873 1.00 8.30 C ATOM 0 H THR B 15 -18.915 1.183 -17.019 1.00 13.20 H new ATOM 0 HA THR B 15 -18.512 0.467 -14.165 1.00 12.54 H new ATOM 0 HB THR B 15 -20.400 -1.070 -15.866 1.00 11.88 H new ATOM 0 HG1 THR B 15 -21.859 0.738 -15.964 1.00 17.15 H new ATOM 0 HG21 THR B 15 -21.883 -0.587 -13.943 1.00 8.30 H new ATOM 0 HG22 THR B 15 -20.311 -1.217 -13.396 1.00 8.30 H new ATOM 0 HG23 THR B 15 -20.662 0.524 -13.279 1.00 8.30 H new ATOM 1816 N LEU B 28 -18.088 -1.282 -9.827 1.00 18.57 N ATOM 1817 CA LEU B 28 -17.849 0.144 -9.465 1.00 16.31 C ATOM 1818 C LEU B 28 -17.359 0.942 -10.682 1.00 14.21 C ATOM 1819 O LEU B 28 -16.600 0.457 -11.497 1.00 16.97 O ATOM 1820 CB LEU B 28 -16.812 0.203 -8.326 1.00 16.48 C ATOM 1821 CG LEU B 28 -15.382 0.173 -8.885 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -14.990 1.568 -9.381 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -14.414 -0.259 -7.777 1.00 22.01 C ATOM 0 HA LEU B 28 -18.785 0.593 -9.131 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -16.959 1.111 -7.741 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -16.960 -0.639 -7.650 1.00 16.48 H new ATOM 0 HG LEU B 28 -15.334 -0.532 -9.715 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -13.975 1.541 -9.777 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -15.678 1.881 -10.167 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -15.038 2.275 -8.553 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -13.398 -0.281 -8.170 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -14.468 0.449 -6.950 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -14.688 -1.252 -7.422 1.00 22.01 H new ATOM 1835 N ASN B 29 -17.782 2.176 -10.789 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.338 3.035 -11.932 1.00 9.77 C ATOM 1837 C ASN B 29 -15.872 3.422 -11.721 1.00 7.94 C ATOM 1838 O ASN B 29 -15.503 3.924 -10.682 1.00 10.52 O ATOM 1839 CB ASN B 29 -18.181 4.326 -12.024 1.00 14.73 C ATOM 1840 CG ASN B 29 -18.834 4.677 -10.679 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -18.516 4.106 -9.657 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -19.743 5.614 -10.641 1.00 12.89 N ATOM 0 H ASN B 29 -18.418 2.628 -10.132 1.00 11.64 H new ATOM 0 HA ASN B 29 -17.465 2.470 -12.856 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -17.547 5.152 -12.347 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -18.954 4.202 -12.782 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -20.182 5.863 -9.755 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -20.014 6.097 -11.498 1.00 12.89 H new ATOM 1849 N GLU B 30 -15.031 3.195 -12.695 1.00 8.58 N ATOM 1850 CA GLU B 30 -13.591 3.558 -12.536 1.00 13.16 C ATOM 1851 C GLU B 30 -13.214 4.609 -13.586 1.00 12.26 C ATOM 1852 O GLU B 30 -13.937 4.832 -14.536 1.00 10.58 O ATOM 1853 CB GLU B 30 -12.726 2.309 -12.721 1.00 14.93 C ATOM 1854 CG GLU B 30 -12.519 1.627 -11.367 1.00 27.13 C ATOM 1855 CD GLU B 30 -11.193 0.865 -11.375 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -11.174 -0.247 -11.876 1.00 38.01 O ATOM 1857 OE2 GLU B 30 -10.219 1.405 -10.877 1.00 40.03 O ATOM 0 H GLU B 30 -15.277 2.775 -13.591 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.424 3.966 -11.539 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -13.206 1.621 -13.417 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -11.763 2.581 -13.154 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -12.518 2.371 -10.570 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -13.342 0.942 -11.163 1.00 27.13 H new ATOM 1864 N GLN B 31 -12.093 5.261 -13.422 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.683 6.301 -14.411 1.00 9.46 C ATOM 1866 C GLN B 31 -10.158 6.309 -14.552 1.00 10.09 C ATOM 1867 O GLN B 31 -9.461 5.548 -13.911 1.00 9.36 O ATOM 1868 CB GLN B 31 -12.155 7.676 -13.921 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.384 8.611 -15.110 1.00 10.62 C ATOM 1870 CD GLN B 31 -11.626 9.918 -14.869 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.484 9.903 -14.458 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -12.217 11.056 -15.102 1.00 12.39 N ATOM 0 H GLN B 31 -11.445 5.119 -12.647 1.00 10.34 H new ATOM 0 HA GLN B 31 -12.133 6.078 -15.379 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -13.077 7.570 -13.350 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.412 8.105 -13.249 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -12.040 8.140 -16.031 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.449 8.810 -15.233 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -13.177 11.071 -15.447 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -11.720 11.932 -14.939 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.636 7.170 -15.384 1.00 6.80 N ATOM 1882 CA LEU B 32 -8.159 7.235 -15.567 1.00 10.34 C ATOM 1883 C LEU B 32 -7.677 8.661 -15.290 1.00 9.02 C ATOM 1884 O LEU B 32 -8.409 9.616 -15.449 1.00 11.15 O ATOM 1885 CB LEU B 32 -7.803 6.855 -17.006 1.00 10.20 C ATOM 1886 CG LEU B 32 -8.503 5.549 -17.382 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -8.170 5.194 -18.833 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -8.020 4.429 -16.457 1.00 15.89 C ATOM 0 H LEU B 32 -10.171 7.832 -15.946 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.678 6.542 -14.877 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -8.105 7.650 -17.688 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -6.723 6.742 -17.106 1.00 10.20 H new ATOM 0 HG LEU B 32 -9.581 5.668 -17.276 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -8.668 4.263 -19.103 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -8.512 5.993 -19.491 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -7.092 5.073 -18.940 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -8.518 3.497 -16.724 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -6.942 4.308 -16.564 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -8.255 4.684 -15.424 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.447 8.814 -14.888 1.00 9.68 N ATOM 1901 CA CYS B 33 -5.908 10.170 -14.611 1.00 8.10 C ATOM 1902 C CYS B 33 -4.400 10.119 -14.812 1.00 6.34 C ATOM 1903 O CYS B 33 -3.838 9.065 -15.019 1.00 8.02 O ATOM 1904 CB CYS B 33 -6.221 10.588 -13.169 1.00 8.88 C ATOM 1905 SG CYS B 33 -7.942 10.193 -12.771 1.00 13.84 S ATOM 0 H CYS B 33 -5.788 8.050 -14.739 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.365 10.897 -15.282 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -5.552 10.074 -12.479 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -6.046 11.657 -13.045 1.00 8.88 H new ATOM 0 HG CYS B 33 -8.663 10.259 -13.851 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.733 11.230 -14.758 1.00 7.35 N ATOM 1912 CA TYR B 34 -2.264 11.200 -14.958 1.00 7.08 C ATOM 1913 C TYR B 34 -1.572 11.777 -13.728 1.00 7.71 C ATOM 1914 O TYR B 34 -1.474 12.978 -13.570 1.00 7.80 O ATOM 1915 CB TYR B 34 -1.909 12.043 -16.171 1.00 8.67 C ATOM 1916 CG TYR B 34 -2.075 11.232 -17.435 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -1.002 10.483 -17.937 1.00 12.44 C ATOM 1918 CD2 TYR B 34 -3.291 11.261 -18.122 1.00 13.61 C ATOM 1919 CE1 TYR B 34 -1.145 9.771 -19.126 1.00 16.38 C ATOM 1920 CE2 TYR B 34 -3.435 10.541 -19.311 1.00 17.22 C ATOM 1921 CZ TYR B 34 -2.358 9.800 -19.813 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.499 9.094 -20.990 1.00 21.14 O ATOM 0 H TYR B 34 -4.136 12.151 -14.586 1.00 7.35 H new ATOM 0 HA TYR B 34 -1.937 10.172 -15.112 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.548 12.925 -16.210 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -0.881 12.397 -16.089 1.00 8.67 H new ATOM 0 HD1 TYR B 34 -0.064 10.458 -17.402 1.00 12.44 H new ATOM 0 HD2 TYR B 34 -4.118 11.838 -17.735 1.00 13.61 H new ATOM 0 HE1 TYR B 34 -0.317 9.197 -19.515 1.00 16.38 H new ATOM 0 HE2 TYR B 34 -4.375 10.556 -19.842 1.00 17.22 H new ATOM 0 HH TYR B 34 -3.406 9.220 -21.340 1.00 21.14 H new ATOM 1932 N VAL B 35 -1.095 10.944 -12.850 1.00 9.44 N ATOM 1933 CA VAL B 35 -0.424 11.477 -11.636 1.00 10.66 C ATOM 1934 C VAL B 35 1.080 11.577 -11.856 1.00 10.57 C ATOM 1935 O VAL B 35 1.740 10.618 -12.203 1.00 8.31 O ATOM 1936 CB VAL B 35 -0.701 10.575 -10.436 1.00 10.22 C ATOM 1937 CG1 VAL B 35 -0.027 11.175 -9.197 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -2.211 10.492 -10.206 1.00 9.86 C ATOM 0 H VAL B 35 -1.140 9.927 -12.918 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.823 12.472 -11.439 1.00 10.66 H new ATOM 0 HB VAL B 35 -0.307 9.576 -10.622 1.00 10.22 H new ATOM 0 HG11 VAL B 35 -0.219 10.538 -8.334 1.00 7.97 H new ATOM 0 HG12 VAL B 35 1.048 11.244 -9.365 1.00 7.97 H new ATOM 0 HG13 VAL B 35 -0.430 12.170 -9.010 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -2.414 9.849 -9.350 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -2.605 11.490 -10.012 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -2.692 10.078 -11.092 1.00 9.86 H new ATOM 1948 N ASP B 36 1.626 12.737 -11.629 1.00 8.58 N ATOM 1949 CA ASP B 36 3.082 12.922 -11.784 1.00 11.48 C ATOM 1950 C ASP B 36 3.701 12.891 -10.391 1.00 12.38 C ATOM 1951 O ASP B 36 4.525 13.713 -10.045 1.00 11.89 O ATOM 1952 CB ASP B 36 3.367 14.268 -12.449 1.00 16.17 C ATOM 1953 CG ASP B 36 4.776 14.254 -13.045 1.00 17.97 C ATOM 1954 OD1 ASP B 36 5.504 13.314 -12.773 1.00 15.67 O ATOM 1955 OD2 ASP B 36 5.103 15.184 -13.763 1.00 25.89 O ATOM 0 H ASP B 36 1.114 13.571 -11.340 1.00 8.58 H new ATOM 0 HA ASP B 36 3.504 12.135 -12.409 1.00 11.48 H new ATOM 0 HB2 ASP B 36 2.632 14.463 -13.230 1.00 16.17 H new ATOM 0 HB3 ASP B 36 3.277 15.073 -11.719 1.00 16.17 H new ATOM 1960 N LEU B 37 3.273 11.951 -9.587 1.00 13.17 N ATOM 1961 CA LEU B 37 3.788 11.839 -8.189 1.00 18.47 C ATOM 1962 C LEU B 37 5.268 12.219 -8.140 1.00 21.14 C ATOM 1963 O LEU B 37 5.754 12.723 -7.147 1.00 24.24 O ATOM 1964 CB LEU B 37 3.614 10.404 -7.659 1.00 15.81 C ATOM 1965 CG LEU B 37 3.374 9.419 -8.809 1.00 20.59 C ATOM 1966 CD1 LEU B 37 4.503 9.534 -9.835 1.00 14.72 C ATOM 1967 CD2 LEU B 37 3.337 7.993 -8.252 1.00 20.01 C ATOM 0 H LEU B 37 2.580 11.248 -9.843 1.00 13.17 H new ATOM 0 HA LEU B 37 3.215 12.522 -7.561 1.00 18.47 H new ATOM 0 HB2 LEU B 37 4.503 10.108 -7.102 1.00 15.81 H new ATOM 0 HB3 LEU B 37 2.775 10.368 -6.964 1.00 15.81 H new ATOM 0 HG LEU B 37 2.425 9.652 -9.292 1.00 20.59 H new ATOM 0 HD11 LEU B 37 4.327 8.832 -10.650 1.00 14.72 H new ATOM 0 HD12 LEU B 37 4.533 10.549 -10.231 1.00 14.72 H new ATOM 0 HD13 LEU B 37 5.455 9.303 -9.356 1.00 14.72 H new ATOM 0 HD21 LEU B 37 3.166 7.289 -9.066 1.00 20.01 H new ATOM 0 HD22 LEU B 37 4.288 7.766 -7.769 1.00 20.01 H new ATOM 0 HD23 LEU B 37 2.531 7.908 -7.524 1.00 20.01 H new ATOM 1979 N GLY B 38 5.987 11.991 -9.200 1.00 20.70 N ATOM 1980 CA GLY B 38 7.422 12.347 -9.203 1.00 23.91 C ATOM 1981 C GLY B 38 8.135 11.579 -10.321 1.00 26.50 C ATOM 1982 O GLY B 38 9.134 10.926 -10.095 1.00 31.02 O ATOM 0 H GLY B 38 5.639 11.573 -10.063 1.00 20.70 H new ATOM 0 HA2 GLY B 38 7.541 13.420 -9.351 1.00 23.91 H new ATOM 0 HA3 GLY B 38 7.870 12.106 -8.239 1.00 23.91 H new ATOM 1986 N ASN B 39 7.628 11.646 -11.525 1.00 27.64 N ATOM 1987 CA ASN B 39 8.276 10.913 -12.645 1.00 30.27 C ATOM 1988 C ASN B 39 8.564 11.872 -13.805 1.00 26.79 C ATOM 1989 O ASN B 39 8.784 11.459 -14.926 1.00 26.87 O ATOM 1990 CB ASN B 39 7.348 9.792 -13.128 1.00 35.62 C ATOM 1991 CG ASN B 39 6.977 8.880 -11.952 1.00 41.31 C ATOM 1992 OD1 ASN B 39 7.604 8.924 -10.913 1.00 43.23 O ATOM 1993 ND2 ASN B 39 5.972 8.050 -12.075 1.00 39.63 N ATOM 0 H ASN B 39 6.794 12.177 -11.777 1.00 27.64 H new ATOM 0 HA ASN B 39 9.215 10.486 -12.294 1.00 30.27 H new ATOM 0 HB2 ASN B 39 6.446 10.218 -13.568 1.00 35.62 H new ATOM 0 HB3 ASN B 39 7.840 9.212 -13.909 1.00 35.62 H new ATOM 0 HD21 ASN B 39 5.716 7.441 -11.298 1.00 39.63 H new ATOM 0 HD22 ASN B 39 5.445 8.013 -12.948 1.00 39.63 H new ATOM 2000 N GLU B 40 8.569 13.148 -13.542 1.00 25.15 N ATOM 2001 CA GLU B 40 8.848 14.144 -14.623 1.00 23.81 C ATOM 2002 C GLU B 40 7.861 13.961 -15.783 1.00 21.12 C ATOM 2003 O GLU B 40 8.060 14.480 -16.863 1.00 19.86 O ATOM 2004 CB GLU B 40 10.274 13.948 -15.141 1.00 27.22 C ATOM 2005 CG GLU B 40 11.247 13.910 -13.961 1.00 34.87 C ATOM 2006 CD GLU B 40 11.868 15.294 -13.765 1.00 38.97 C ATOM 2007 OE1 GLU B 40 11.245 16.113 -13.110 1.00 39.54 O ATOM 2008 OE2 GLU B 40 12.957 15.511 -14.271 1.00 42.34 O ATOM 0 H GLU B 40 8.391 13.550 -12.621 1.00 25.15 H new ATOM 0 HA GLU B 40 8.736 15.148 -14.214 1.00 23.81 H new ATOM 0 HB2 GLU B 40 10.341 13.021 -15.711 1.00 27.22 H new ATOM 0 HB3 GLU B 40 10.540 14.759 -15.819 1.00 27.22 H new ATOM 0 HG2 GLU B 40 10.724 13.603 -13.055 1.00 34.87 H new ATOM 0 HG3 GLU B 40 12.028 13.172 -14.144 1.00 34.87 H new ATOM 2015 N HIS B 41 6.801 13.234 -15.566 1.00 2.84 N ATOM 2016 CA HIS B 41 5.797 13.015 -16.649 1.00 2.76 C ATOM 2017 C HIS B 41 4.498 12.526 -16.009 1.00 1.97 C ATOM 2018 O HIS B 41 4.506 12.066 -14.885 1.00 1.11 O ATOM 2019 CB HIS B 41 6.319 11.955 -17.625 1.00 3.33 C ATOM 2020 CG HIS B 41 7.502 12.499 -18.378 1.00 3.15 C ATOM 2021 ND1 HIS B 41 7.447 13.692 -19.081 1.00 3.62 N ATOM 2022 CD2 HIS B 41 8.780 12.027 -18.540 1.00 4.40 C ATOM 2023 CE1 HIS B 41 8.659 13.897 -19.628 1.00 5.35 C ATOM 2024 NE2 HIS B 41 9.510 12.911 -19.329 1.00 6.15 N ATOM 0 H HIS B 41 6.584 12.778 -14.680 1.00 2.84 H new ATOM 0 HA HIS B 41 5.622 13.943 -17.193 1.00 2.76 H new ATOM 0 HB2 HIS B 41 6.605 11.055 -17.081 1.00 3.33 H new ATOM 0 HB3 HIS B 41 5.532 11.670 -18.322 1.00 3.33 H new ATOM 0 HD2 HIS B 41 9.162 11.109 -18.119 1.00 4.40 H new ATOM 0 HE1 HIS B 41 8.913 14.754 -20.235 1.00 5.35 H new ATOM 0 HE2 HIS B 41 10.485 12.825 -19.617 1.00 6.15 H new ATOM 2032 N PRO B 42 3.416 12.636 -16.734 1.00 15.11 N ATOM 2033 CA PRO B 42 2.102 12.206 -16.237 1.00 16.08 C ATOM 2034 C PRO B 42 1.981 10.688 -16.328 1.00 17.92 C ATOM 2035 O PRO B 42 2.352 10.085 -17.315 1.00 17.13 O ATOM 2036 CB PRO B 42 1.117 12.874 -17.192 1.00 16.41 C ATOM 2037 CG PRO B 42 1.894 13.151 -18.492 1.00 13.79 C ATOM 2038 CD PRO B 42 3.391 13.190 -18.106 1.00 16.28 C ATOM 0 HA PRO B 42 1.929 12.475 -15.195 1.00 16.08 H new ATOM 0 HB2 PRO B 42 0.260 12.227 -17.382 1.00 16.41 H new ATOM 0 HB3 PRO B 42 0.730 13.800 -16.766 1.00 16.41 H new ATOM 0 HG2 PRO B 42 1.704 12.373 -19.231 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.583 14.096 -18.937 1.00 13.79 H new ATOM 0 HD2 PRO B 42 3.996 12.594 -18.789 1.00 16.28 H new ATOM 0 HD3 PRO B 42 3.785 14.206 -18.135 1.00 16.28 H new ATOM 2046 N VAL B 43 1.460 10.065 -15.314 1.00 16.29 N ATOM 2047 CA VAL B 43 1.314 8.589 -15.357 1.00 14.28 C ATOM 2048 C VAL B 43 -0.166 8.230 -15.434 1.00 9.00 C ATOM 2049 O VAL B 43 -0.929 8.489 -14.526 1.00 7.99 O ATOM 2050 CB VAL B 43 1.929 7.973 -14.103 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.302 8.596 -13.848 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.020 8.231 -12.897 1.00 20.57 C ATOM 0 H VAL B 43 1.130 10.512 -14.459 1.00 16.29 H new ATOM 0 HA VAL B 43 1.829 8.199 -16.235 1.00 14.28 H new ATOM 0 HB VAL B 43 2.037 6.898 -14.248 1.00 17.96 H new ATOM 0 HG11 VAL B 43 3.741 8.156 -12.952 1.00 18.07 H new ATOM 0 HG12 VAL B 43 3.952 8.406 -14.702 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.193 9.671 -13.708 1.00 18.07 H new ATOM 0 HG21 VAL B 43 1.464 7.789 -12.005 1.00 20.57 H new ATOM 0 HG22 VAL B 43 0.905 9.305 -12.751 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.043 7.783 -13.076 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.580 7.633 -16.513 1.00 10.19 N ATOM 2063 CA LEU B 44 -2.008 7.265 -16.640 1.00 11.55 C ATOM 2064 C LEU B 44 -2.317 6.097 -15.711 1.00 10.61 C ATOM 2065 O LEU B 44 -2.234 4.945 -16.086 1.00 13.49 O ATOM 2066 CB LEU B 44 -2.317 6.870 -18.076 1.00 10.60 C ATOM 2067 CG LEU B 44 -3.820 6.667 -18.218 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -4.515 8.031 -18.256 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -4.115 5.905 -19.512 1.00 20.21 C ATOM 0 H LEU B 44 0.009 7.386 -17.309 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.624 8.122 -16.366 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -1.975 7.645 -18.762 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -1.786 5.955 -18.338 1.00 10.60 H new ATOM 0 HG LEU B 44 -4.191 6.093 -17.369 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.591 7.888 -18.358 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.306 8.572 -17.333 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.143 8.605 -19.105 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -5.191 5.761 -19.612 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -3.745 6.476 -20.363 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -3.620 4.934 -19.484 1.00 20.21 H new ATOM 2081 N VAL B 45 -2.679 6.396 -14.502 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.007 5.321 -13.529 1.00 9.29 C ATOM 2083 C VAL B 45 -4.528 5.230 -13.395 1.00 9.95 C ATOM 2084 O VAL B 45 -5.237 6.189 -13.627 1.00 9.36 O ATOM 2085 CB VAL B 45 -2.368 5.651 -12.177 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -3.153 6.771 -11.491 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -2.374 4.403 -11.290 1.00 10.20 C ATOM 0 H VAL B 45 -2.763 7.346 -14.140 1.00 10.81 H new ATOM 0 HA VAL B 45 -2.618 4.363 -13.873 1.00 9.29 H new ATOM 0 HB VAL B 45 -1.341 5.979 -12.336 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -2.694 7.001 -10.530 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -3.143 7.661 -12.120 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -4.183 6.450 -11.333 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -1.919 4.638 -10.328 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -3.401 4.072 -11.135 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -1.806 3.609 -11.775 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.040 4.083 -13.045 1.00 10.76 N ATOM 2098 CA LYS B 46 -6.519 3.935 -12.926 1.00 12.81 C ATOM 2099 C LYS B 46 -7.031 4.669 -11.685 1.00 13.35 C ATOM 2100 O LYS B 46 -6.272 5.073 -10.826 1.00 12.90 O ATOM 2101 CB LYS B 46 -6.877 2.451 -12.826 1.00 17.04 C ATOM 2102 CG LYS B 46 -6.038 1.655 -13.828 1.00 26.60 C ATOM 2103 CD LYS B 46 -6.651 0.267 -14.020 1.00 33.77 C ATOM 2104 CE LYS B 46 -7.434 0.235 -15.334 1.00 34.48 C ATOM 2105 NZ LYS B 46 -8.648 -0.612 -15.169 1.00 36.74 N ATOM 0 H LYS B 46 -4.500 3.243 -12.836 1.00 10.76 H new ATOM 0 HA LYS B 46 -6.988 4.369 -13.809 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -6.694 2.089 -11.814 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -7.938 2.307 -13.029 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -5.996 2.181 -14.782 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -5.013 1.565 -13.469 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -5.867 -0.490 -14.032 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -7.310 0.030 -13.185 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -7.720 1.246 -15.624 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -6.807 -0.161 -16.133 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -9.180 -0.634 -16.062 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -8.364 -1.579 -14.911 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -9.248 -0.216 -14.418 1.00 36.74 H new ATOM 2119 N ILE B 47 -8.323 4.838 -11.592 1.00 13.96 N ATOM 2120 CA ILE B 47 -8.917 5.538 -10.422 1.00 16.93 C ATOM 2121 C ILE B 47 -10.287 4.919 -10.125 1.00 16.52 C ATOM 2122 O ILE B 47 -10.750 4.047 -10.834 1.00 17.67 O ATOM 2123 CB ILE B 47 -9.061 7.037 -10.747 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -8.918 7.865 -9.469 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -10.428 7.324 -11.370 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -7.664 8.732 -9.568 1.00 18.26 C ATOM 0 H ILE B 47 -8.998 4.516 -12.286 1.00 13.96 H new ATOM 0 HA ILE B 47 -8.277 5.431 -9.547 1.00 16.93 H new ATOM 0 HB ILE B 47 -8.278 7.307 -11.455 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -9.798 8.493 -9.328 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -8.853 7.208 -8.602 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -10.510 8.388 -11.592 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -10.535 6.751 -12.291 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -11.214 7.038 -10.671 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -7.558 9.324 -8.659 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -6.789 8.094 -9.689 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -7.749 9.398 -10.427 1.00 18.26 H new ATOM 2138 N THR B 48 -10.941 5.364 -9.093 1.00 16.86 N ATOM 2139 CA THR B 48 -12.278 4.800 -8.769 1.00 16.59 C ATOM 2140 C THR B 48 -13.334 5.902 -8.869 1.00 19.04 C ATOM 2141 O THR B 48 -13.057 7.065 -8.656 1.00 22.56 O ATOM 2142 CB THR B 48 -12.262 4.234 -7.351 1.00 16.30 C ATOM 2143 OG1 THR B 48 -11.298 3.193 -7.269 1.00 17.90 O ATOM 2144 CG2 THR B 48 -13.645 3.681 -7.009 1.00 16.02 C ATOM 0 H THR B 48 -10.609 6.092 -8.460 1.00 16.86 H new ATOM 0 HA THR B 48 -12.518 4.004 -9.474 1.00 16.59 H new ATOM 0 HB THR B 48 -12.003 5.023 -6.645 1.00 16.30 H new ATOM 0 HG1 THR B 48 -11.285 2.830 -6.359 1.00 17.90 H new ATOM 0 HG21 THR B 48 -13.635 3.277 -5.997 1.00 16.02 H new ATOM 0 HG22 THR B 48 -14.383 4.481 -7.073 1.00 16.02 H new ATOM 0 HG23 THR B 48 -13.905 2.891 -7.713 1.00 16.02 H new ATOM 2152 N LEU B 49 -14.545 5.539 -9.187 1.00 18.35 N ATOM 2153 CA LEU B 49 -15.630 6.549 -9.302 1.00 18.82 C ATOM 2154 C LEU B 49 -16.777 6.126 -8.382 1.00 20.06 C ATOM 2155 O LEU B 49 -16.989 4.955 -8.143 1.00 18.35 O ATOM 2156 CB LEU B 49 -16.112 6.619 -10.762 1.00 18.79 C ATOM 2157 CG LEU B 49 -16.107 8.067 -11.245 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -17.258 8.834 -10.587 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -14.774 8.728 -10.882 1.00 14.50 C ATOM 0 H LEU B 49 -14.830 4.578 -9.373 1.00 18.35 H new ATOM 0 HA LEU B 49 -15.269 7.535 -9.010 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -15.465 6.013 -11.397 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -17.117 6.204 -10.842 1.00 18.79 H new ATOM 0 HG LEU B 49 -16.234 8.085 -12.327 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -17.252 9.867 -10.934 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -18.206 8.367 -10.854 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -17.136 8.814 -9.504 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -14.774 9.761 -11.228 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -14.640 8.708 -9.800 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -13.957 8.186 -11.359 1.00 14.50 H new ATOM 2171 N ASP B 50 -17.504 7.064 -7.846 1.00 22.62 N ATOM 2172 CA ASP B 50 -18.618 6.699 -6.926 1.00 27.04 C ATOM 2173 C ASP B 50 -19.963 6.894 -7.627 1.00 27.73 C ATOM 2174 O ASP B 50 -20.148 7.814 -8.399 1.00 26.65 O ATOM 2175 CB ASP B 50 -18.559 7.584 -5.680 1.00 29.11 C ATOM 2176 CG ASP B 50 -19.259 6.876 -4.519 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -19.696 5.753 -4.712 1.00 30.76 O ATOM 2178 OD2 ASP B 50 -19.346 7.467 -3.455 1.00 33.99 O ATOM 0 H ASP B 50 -17.377 8.064 -8.003 1.00 22.62 H new ATOM 0 HA ASP B 50 -18.515 5.653 -6.639 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -17.522 7.795 -5.419 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -19.039 8.542 -5.878 1.00 29.11 H new ATOM 2183 N GLU B 51 -20.905 6.032 -7.356 1.00 31.16 N ATOM 2184 CA GLU B 51 -22.245 6.156 -7.994 1.00 34.22 C ATOM 2185 C GLU B 51 -22.750 7.593 -7.848 1.00 34.98 C ATOM 2186 O GLU B 51 -22.801 8.136 -6.762 1.00 34.19 O ATOM 2187 CB GLU B 51 -23.222 5.204 -7.301 1.00 38.24 C ATOM 2188 CG GLU B 51 -23.873 4.286 -8.337 1.00 46.84 C ATOM 2189 CD GLU B 51 -25.265 3.879 -7.851 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -25.403 3.608 -6.670 1.00 54.92 O ATOM 2191 OE2 GLU B 51 -26.170 3.847 -8.669 1.00 53.83 O ATOM 0 H GLU B 51 -20.803 5.244 -6.717 1.00 31.16 H new ATOM 0 HA GLU B 51 -22.170 5.903 -9.052 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -22.697 4.609 -6.554 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -23.988 5.774 -6.774 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -23.946 4.797 -9.297 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -23.257 3.401 -8.493 1.00 46.84 H new ATOM 2198 N GLY B 52 -23.127 8.213 -8.932 1.00 34.53 N ATOM 2199 CA GLY B 52 -23.632 9.612 -8.850 1.00 34.93 C ATOM 2200 C GLY B 52 -22.470 10.591 -9.025 1.00 36.10 C ATOM 2201 O GLY B 52 -22.646 11.698 -9.495 1.00 35.97 O ATOM 0 H GLY B 52 -23.107 7.812 -9.870 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -24.384 9.783 -9.621 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -24.118 9.778 -7.888 1.00 34.93 H new ATOM 2205 N GLN B 53 -21.285 10.195 -8.650 1.00 36.52 N ATOM 2206 CA GLN B 53 -20.118 11.109 -8.794 1.00 35.40 C ATOM 2207 C GLN B 53 -19.703 11.180 -10.268 1.00 31.02 C ATOM 2208 O GLN B 53 -19.657 10.171 -10.943 1.00 29.05 O ATOM 2209 CB GLN B 53 -18.946 10.574 -7.968 1.00 41.20 C ATOM 2210 CG GLN B 53 -18.661 11.528 -6.807 1.00 47.61 C ATOM 2211 CD GLN B 53 -17.226 11.320 -6.317 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -16.308 11.238 -7.108 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -16.993 11.232 -5.036 1.00 54.76 N ATOM 0 H GLN B 53 -21.075 9.280 -8.251 1.00 36.52 H new ATOM 0 HA GLN B 53 -20.392 12.103 -8.441 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -19.180 9.580 -7.587 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -18.061 10.474 -8.596 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -18.801 12.560 -7.128 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -19.364 11.349 -5.994 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -17.764 11.301 -4.372 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -16.040 11.094 -4.699 1.00 54.76 H new ATOM 2222 N PRO B 54 -19.404 12.371 -10.725 1.00 27.43 N ATOM 2223 CA PRO B 54 -18.979 12.598 -12.115 1.00 23.44 C ATOM 2224 C PRO B 54 -17.509 12.208 -12.282 1.00 20.14 C ATOM 2225 O PRO B 54 -16.649 12.697 -11.577 1.00 21.64 O ATOM 2226 CB PRO B 54 -19.173 14.100 -12.314 1.00 24.39 C ATOM 2227 CG PRO B 54 -19.150 14.729 -10.905 1.00 27.18 C ATOM 2228 CD PRO B 54 -19.460 13.598 -9.907 1.00 28.37 C ATOM 0 HA PRO B 54 -19.539 12.008 -12.840 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.382 14.515 -12.938 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -20.118 14.307 -12.817 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -18.177 15.173 -10.696 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -19.888 15.527 -10.826 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -18.731 13.571 -9.097 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -20.441 13.728 -9.450 1.00 28.37 H new ATOM 2236 N ALA B 55 -17.217 11.327 -13.202 1.00 17.21 N ATOM 2237 CA ALA B 55 -15.804 10.900 -13.410 1.00 15.58 C ATOM 2238 C ALA B 55 -14.872 12.109 -13.297 1.00 16.41 C ATOM 2239 O ALA B 55 -15.232 13.219 -13.635 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.669 10.272 -14.795 1.00 13.98 C ATOM 0 H ALA B 55 -17.898 10.884 -13.819 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.529 10.170 -12.649 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.637 9.958 -14.953 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.327 9.406 -14.868 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -15.946 11.003 -15.555 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.676 11.900 -12.818 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.718 13.035 -12.675 1.00 14.61 C ATOM 2248 C TYR B 56 -12.726 13.866 -13.958 1.00 15.51 C ATOM 2249 O TYR B 56 -12.200 13.464 -14.973 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.308 12.491 -12.410 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.320 11.684 -11.128 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -11.701 10.337 -11.160 1.00 7.14 C ATOM 2253 CD2 TYR B 56 -10.971 12.282 -9.912 1.00 12.42 C ATOM 2254 CE1 TYR B 56 -11.731 9.588 -9.980 1.00 7.90 C ATOM 2255 CE2 TYR B 56 -10.999 11.531 -8.730 1.00 11.47 C ATOM 2256 CZ TYR B 56 -11.379 10.184 -8.765 1.00 10.29 C ATOM 2257 OH TYR B 56 -11.409 9.444 -7.600 1.00 12.03 O ATOM 0 H TYR B 56 -13.320 10.992 -12.519 1.00 15.93 H new ATOM 0 HA TYR B 56 -13.017 13.664 -11.836 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -10.983 11.868 -13.243 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.597 13.313 -12.330 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -11.972 9.876 -12.098 1.00 7.14 H new ATOM 0 HD2 TYR B 56 -10.680 13.322 -9.885 1.00 12.42 H new ATOM 0 HE1 TYR B 56 -12.026 8.549 -10.007 1.00 7.90 H new ATOM 0 HE2 TYR B 56 -10.727 11.991 -7.791 1.00 11.47 H new ATOM 0 HH TYR B 56 -11.899 8.610 -7.755 1.00 12.03 H new ATOM 2267 N ALA B 57 -13.328 15.022 -13.921 1.00 13.38 N ATOM 2268 CA ALA B 57 -13.375 15.879 -15.138 1.00 14.95 C ATOM 2269 C ALA B 57 -11.949 16.178 -15.611 1.00 15.46 C ATOM 2270 O ALA B 57 -10.991 15.816 -14.957 1.00 17.82 O ATOM 2271 CB ALA B 57 -14.086 17.192 -14.806 1.00 14.98 C ATOM 0 H ALA B 57 -13.790 15.411 -13.099 1.00 13.38 H new ATOM 0 HA ALA B 57 -13.917 15.359 -15.928 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -14.122 17.821 -15.695 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -15.101 16.981 -14.470 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -13.542 17.711 -14.016 1.00 14.98 H new ATOM 2277 N PRO B 58 -11.855 16.835 -16.740 1.00 15.20 N ATOM 2278 CA PRO B 58 -10.560 17.206 -17.338 1.00 16.55 C ATOM 2279 C PRO B 58 -9.970 18.425 -16.622 1.00 16.75 C ATOM 2280 O PRO B 58 -10.521 19.507 -16.662 1.00 17.28 O ATOM 2281 CB PRO B 58 -10.919 17.544 -18.788 1.00 15.65 C ATOM 2282 CG PRO B 58 -12.426 17.897 -18.794 1.00 14.16 C ATOM 2283 CD PRO B 58 -13.030 17.268 -17.524 1.00 13.96 C ATOM 0 HA PRO B 58 -9.810 16.418 -17.262 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -10.323 18.381 -19.151 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -10.715 16.699 -19.446 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -12.571 18.977 -18.798 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -12.912 17.507 -19.688 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -13.634 17.988 -16.972 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -13.679 16.427 -17.766 1.00 13.96 H new ATOM 2291 N GLY B 59 -8.854 18.257 -15.966 1.00 17.22 N ATOM 2292 CA GLY B 59 -8.230 19.405 -15.247 1.00 15.08 C ATOM 2293 C GLY B 59 -7.034 18.904 -14.436 1.00 14.96 C ATOM 2294 O GLY B 59 -6.721 17.731 -14.443 1.00 13.79 O ATOM 0 H GLY B 59 -8.347 17.375 -15.897 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -7.908 20.164 -15.960 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -8.959 19.876 -14.588 1.00 15.08 H new ATOM 2298 N LEU B 60 -6.368 19.776 -13.729 1.00 15.83 N ATOM 2299 CA LEU B 60 -5.206 19.333 -12.910 1.00 14.53 C ATOM 2300 C LEU B 60 -5.734 18.614 -11.671 1.00 14.15 C ATOM 2301 O LEU B 60 -6.784 18.945 -11.159 1.00 13.27 O ATOM 2302 CB LEU B 60 -4.383 20.550 -12.483 1.00 15.84 C ATOM 2303 CG LEU B 60 -3.247 20.770 -13.481 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -3.780 21.515 -14.706 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -2.141 21.597 -12.820 1.00 15.01 C ATOM 0 H LEU B 60 -6.578 20.773 -13.684 1.00 15.83 H new ATOM 0 HA LEU B 60 -4.573 18.663 -13.492 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -5.018 21.435 -12.437 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -3.978 20.396 -11.483 1.00 15.84 H new ATOM 0 HG LEU B 60 -2.844 19.806 -13.791 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -2.969 21.672 -15.418 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -4.567 20.926 -15.176 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -4.184 22.479 -14.398 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -1.330 21.754 -13.531 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -2.544 22.561 -12.510 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -1.761 21.065 -11.948 1.00 15.01 H new ATOM 2317 N TYR B 61 -5.033 17.628 -11.185 1.00 11.12 N ATOM 2318 CA TYR B 61 -5.536 16.905 -9.989 1.00 9.57 C ATOM 2319 C TYR B 61 -4.444 16.712 -8.959 1.00 11.76 C ATOM 2320 O TYR B 61 -3.273 16.898 -9.209 1.00 11.26 O ATOM 2321 CB TYR B 61 -6.080 15.541 -10.400 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.500 15.720 -10.848 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.768 16.322 -12.078 1.00 10.26 C ATOM 2324 CD2 TYR B 61 -8.548 15.308 -10.018 1.00 10.68 C ATOM 2325 CE1 TYR B 61 -9.089 16.511 -12.485 1.00 13.99 C ATOM 2326 CE2 TYR B 61 -9.869 15.495 -10.425 1.00 13.03 C ATOM 2327 CZ TYR B 61 -10.137 16.098 -11.656 1.00 11.06 C ATOM 2328 OH TYR B 61 -11.442 16.273 -12.064 1.00 14.61 O ATOM 0 H TYR B 61 -4.144 17.296 -11.560 1.00 11.12 H new ATOM 0 HA TYR B 61 -6.328 17.508 -9.545 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.478 15.118 -11.204 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -6.030 14.844 -9.564 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -6.955 16.641 -12.713 1.00 10.26 H new ATOM 0 HD2 TYR B 61 -8.335 14.847 -9.065 1.00 10.68 H new ATOM 0 HE1 TYR B 61 -9.302 16.975 -13.437 1.00 13.99 H new ATOM 0 HE2 TYR B 61 -10.682 15.175 -9.790 1.00 13.03 H new ATOM 0 HH TYR B 61 -11.473 16.341 -13.041 1.00 14.61 H new ATOM 2338 N THR B 62 -4.847 16.319 -7.796 1.00 12.22 N ATOM 2339 CA THR B 62 -3.897 16.067 -6.703 1.00 14.26 C ATOM 2340 C THR B 62 -4.525 15.002 -5.832 1.00 15.40 C ATOM 2341 O THR B 62 -5.606 15.177 -5.305 1.00 16.24 O ATOM 2342 CB THR B 62 -3.678 17.334 -5.894 1.00 15.07 C ATOM 2343 OG1 THR B 62 -4.882 17.683 -5.223 1.00 18.36 O ATOM 2344 CG2 THR B 62 -3.265 18.464 -6.834 1.00 11.61 C ATOM 0 H THR B 62 -5.825 16.158 -7.554 1.00 12.22 H new ATOM 0 HA THR B 62 -2.928 15.749 -7.088 1.00 14.26 H new ATOM 0 HB THR B 62 -2.892 17.169 -5.157 1.00 15.07 H new ATOM 0 HG1 THR B 62 -5.271 16.883 -4.812 1.00 18.36 H new ATOM 0 HG21 THR B 62 -3.106 19.376 -6.259 1.00 11.61 H new ATOM 0 HG22 THR B 62 -2.342 18.193 -7.346 1.00 11.61 H new ATOM 0 HG23 THR B 62 -4.052 18.631 -7.570 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.888 13.891 -5.692 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.501 12.829 -4.871 1.00 15.17 C ATOM 2354 C VAL B 63 -4.882 13.418 -3.522 1.00 14.24 C ATOM 2355 O VAL B 63 -4.438 14.486 -3.150 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.537 11.669 -4.692 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.335 10.413 -4.354 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.760 11.446 -5.994 1.00 18.64 C ATOM 0 H VAL B 63 -2.981 13.670 -6.103 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.391 12.447 -5.371 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.835 11.890 -3.888 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.653 9.573 -4.223 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.894 10.574 -3.432 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -5.029 10.194 -5.165 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -2.068 10.614 -5.867 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.458 11.218 -6.800 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -2.201 12.348 -6.243 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.710 12.741 -2.793 1.00 13.31 N ATOM 2369 CA HIS B 64 -6.132 13.271 -1.471 1.00 10.78 C ATOM 2370 C HIS B 64 -5.799 12.241 -0.392 1.00 14.19 C ATOM 2371 O HIS B 64 -6.207 11.093 -0.468 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.638 13.547 -1.492 1.00 11.86 C ATOM 2373 CG HIS B 64 -7.977 14.606 -0.479 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.299 14.725 0.724 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.938 15.586 -0.467 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -7.861 15.735 1.408 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.864 16.298 0.728 1.00 20.65 N ATOM 0 H HIS B 64 -6.116 11.842 -3.052 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.606 14.201 -1.255 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.944 13.871 -2.487 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.188 12.632 -1.272 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.644 15.776 -1.262 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.541 16.054 2.389 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -9.449 17.080 1.021 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.049 12.644 0.603 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.661 11.708 1.692 1.00 14.44 C ATOM 2387 C LEU B 65 -5.891 11.328 2.526 1.00 12.66 C ATOM 2388 O LEU B 65 -5.815 10.508 3.418 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.581 12.380 2.561 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.196 13.028 3.797 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -4.000 12.112 5.006 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -3.524 14.376 4.058 1.00 19.03 C ATOM 0 H LEU B 65 -4.687 13.592 0.704 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.255 10.789 1.270 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -2.841 11.639 2.865 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -3.055 13.134 1.975 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.262 13.184 3.631 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -4.440 12.576 5.889 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -4.486 11.154 4.819 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -2.935 11.952 5.173 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -3.965 14.837 4.942 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -2.457 14.225 4.222 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -3.670 15.028 3.197 1.00 19.03 H new ATOM 2404 N SER B 66 -7.025 11.907 2.236 1.00 13.51 N ATOM 2405 CA SER B 66 -8.248 11.563 3.006 1.00 10.39 C ATOM 2406 C SER B 66 -8.462 10.050 2.921 1.00 8.56 C ATOM 2407 O SER B 66 -9.220 9.472 3.674 1.00 11.70 O ATOM 2408 CB SER B 66 -9.453 12.283 2.399 1.00 12.88 C ATOM 2409 OG SER B 66 -10.557 12.180 3.287 1.00 14.72 O ATOM 0 H SER B 66 -7.154 12.602 1.500 1.00 13.51 H new ATOM 0 HA SER B 66 -8.136 11.870 4.046 1.00 10.39 H new ATOM 0 HB2 SER B 66 -9.213 13.331 2.219 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.705 11.844 1.434 1.00 12.88 H new ATOM 0 HG SER B 66 -10.552 11.298 3.714 1.00 14.72 H new ATOM 2415 N SER B 67 -7.803 9.412 1.989 1.00 7.98 N ATOM 2416 CA SER B 67 -7.962 7.942 1.821 1.00 8.20 C ATOM 2417 C SER B 67 -6.852 7.188 2.564 1.00 11.02 C ATOM 2418 O SER B 67 -6.864 5.975 2.637 1.00 11.45 O ATOM 2419 CB SER B 67 -7.891 7.600 0.334 1.00 8.01 C ATOM 2420 OG SER B 67 -8.820 8.410 -0.375 1.00 11.22 O ATOM 0 H SER B 67 -7.157 9.852 1.334 1.00 7.98 H new ATOM 0 HA SER B 67 -8.925 7.643 2.234 1.00 8.20 H new ATOM 0 HB2 SER B 67 -6.882 7.768 -0.043 1.00 8.01 H new ATOM 0 HB3 SER B 67 -8.118 6.545 0.180 1.00 8.01 H new ATOM 0 HG SER B 67 -9.377 7.843 -0.948 1.00 11.22 H new ATOM 2426 N PHE B 68 -5.884 7.882 3.101 1.00 10.09 N ATOM 2427 CA PHE B 68 -4.779 7.176 3.813 1.00 11.79 C ATOM 2428 C PHE B 68 -5.206 6.867 5.245 1.00 12.69 C ATOM 2429 O PHE B 68 -6.111 7.474 5.783 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.523 8.054 3.845 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.208 8.588 2.466 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -3.928 8.159 1.339 1.00 10.16 C ATOM 2433 CD2 PHE B 68 -2.203 9.550 2.325 1.00 12.12 C ATOM 2434 CE1 PHE B 68 -3.637 8.696 0.081 1.00 9.89 C ATOM 2435 CE2 PHE B 68 -1.918 10.088 1.067 1.00 10.35 C ATOM 2436 CZ PHE B 68 -2.636 9.662 -0.053 1.00 11.87 C ATOM 0 H PHE B 68 -5.810 8.899 3.078 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.558 6.249 3.283 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -3.671 8.884 4.536 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.678 7.475 4.218 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.705 7.416 1.444 1.00 10.16 H new ATOM 0 HD2 PHE B 68 -1.646 9.878 3.190 1.00 12.12 H new ATOM 0 HE1 PHE B 68 -4.186 8.364 -0.788 1.00 9.89 H new ATOM 0 HE2 PHE B 68 -1.143 10.833 0.961 1.00 10.35 H new ATOM 0 HZ PHE B 68 -2.417 10.080 -1.024 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.555 5.927 5.866 1.00 12.51 N ATOM 2447 CA LYS B 69 -4.910 5.570 7.266 1.00 15.38 C ATOM 2448 C LYS B 69 -3.717 4.881 7.929 1.00 15.02 C ATOM 2449 O LYS B 69 -2.739 4.555 7.285 1.00 15.36 O ATOM 2450 CB LYS B 69 -6.108 4.620 7.264 1.00 16.04 C ATOM 2451 CG LYS B 69 -7.339 5.354 6.729 1.00 20.35 C ATOM 2452 CD LYS B 69 -8.558 4.435 6.815 1.00 21.35 C ATOM 2453 CE LYS B 69 -9.063 4.127 5.405 1.00 30.24 C ATOM 2454 NZ LYS B 69 -10.541 4.312 5.355 1.00 32.70 N ATOM 0 H LYS B 69 -3.789 5.388 5.463 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.166 6.474 7.819 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -5.894 3.748 6.646 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -6.299 4.256 8.273 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -7.513 6.262 7.306 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -7.173 5.660 5.696 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -8.295 3.510 7.329 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -9.345 4.911 7.399 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -8.579 4.784 4.682 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -8.804 3.105 5.130 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -10.885 4.103 4.396 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -10.995 3.668 6.034 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -10.776 5.295 5.600 1.00 32.70 H new ATOM 2468 N VAL B 70 -3.791 4.656 9.210 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.664 3.986 9.916 1.00 13.49 C ATOM 2470 C VAL B 70 -3.077 2.556 10.266 1.00 11.85 C ATOM 2471 O VAL B 70 -3.759 2.317 11.243 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.313 4.741 11.201 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -0.798 4.945 11.277 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -3.011 6.107 11.228 1.00 15.63 C ATOM 0 H VAL B 70 -4.584 4.907 9.800 1.00 13.65 H new ATOM 0 HA VAL B 70 -1.790 3.977 9.265 1.00 13.49 H new ATOM 0 HB VAL B 70 -2.651 4.154 12.055 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -0.549 5.483 12.192 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.300 3.975 11.279 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.465 5.523 10.415 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -2.751 6.630 12.148 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -2.688 6.698 10.371 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -4.091 5.965 11.185 1.00 15.63 H new ATOM 2484 N GLY B 71 -2.672 1.606 9.472 1.00 11.15 N ATOM 2485 CA GLY B 71 -3.044 0.188 9.749 1.00 11.07 C ATOM 2486 C GLY B 71 -2.152 -0.372 10.858 1.00 12.15 C ATOM 2487 O GLY B 71 -1.696 0.348 11.724 1.00 12.70 O ATOM 0 H GLY B 71 -2.098 1.749 8.641 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -4.091 0.128 10.046 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -2.935 -0.410 8.844 1.00 11.07 H new ATOM 2491 N GLN B 72 -1.901 -1.653 10.841 1.00 15.78 N ATOM 2492 CA GLN B 72 -1.042 -2.255 11.895 1.00 19.42 C ATOM 2493 C GLN B 72 0.340 -2.564 11.324 1.00 16.97 C ATOM 2494 O GLN B 72 1.076 -3.378 11.845 1.00 20.46 O ATOM 2495 CB GLN B 72 -1.691 -3.535 12.412 1.00 22.64 C ATOM 2496 CG GLN B 72 -1.651 -4.595 11.320 1.00 25.29 C ATOM 2497 CD GLN B 72 -3.047 -4.771 10.724 1.00 26.29 C ATOM 2498 OE1 GLN B 72 -3.910 -5.372 11.333 1.00 26.22 O ATOM 2499 NE2 GLN B 72 -3.308 -4.266 9.548 1.00 25.15 N ATOM 0 H GLN B 72 -2.254 -2.307 10.142 1.00 15.78 H new ATOM 0 HA GLN B 72 -0.933 -1.550 12.719 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -1.166 -3.890 13.299 1.00 22.64 H new ATOM 0 HB3 GLN B 72 -2.722 -3.340 12.708 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -0.946 -4.303 10.541 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -1.298 -5.541 11.730 1.00 25.29 H new ATOM 0 HE21 GLN B 72 -2.583 -3.762 9.037 1.00 25.15 H new ATOM 0 HE22 GLN B 72 -4.237 -4.376 9.140 1.00 25.15 H new ATOM 2508 N PHE B 73 0.695 -1.908 10.261 1.00 14.56 N ATOM 2509 CA PHE B 73 2.032 -2.143 9.646 1.00 14.60 C ATOM 2510 C PHE B 73 3.046 -1.187 10.277 1.00 15.63 C ATOM 2511 O PHE B 73 4.240 -1.326 10.100 1.00 17.80 O ATOM 2512 CB PHE B 73 1.956 -1.883 8.140 1.00 12.63 C ATOM 2513 CG PHE B 73 2.036 -3.194 7.392 1.00 14.99 C ATOM 2514 CD1 PHE B 73 1.061 -4.178 7.597 1.00 16.27 C ATOM 2515 CD2 PHE B 73 3.084 -3.424 6.492 1.00 19.79 C ATOM 2516 CE1 PHE B 73 1.134 -5.392 6.902 1.00 20.44 C ATOM 2517 CE2 PHE B 73 3.156 -4.638 5.797 1.00 18.68 C ATOM 2518 CZ PHE B 73 2.182 -5.621 6.002 1.00 17.88 C ATOM 0 H PHE B 73 0.116 -1.215 9.786 1.00 14.56 H new ATOM 0 HA PHE B 73 2.339 -3.174 9.818 1.00 14.60 H new ATOM 0 HB2 PHE B 73 1.025 -1.370 7.896 1.00 12.63 H new ATOM 0 HB3 PHE B 73 2.771 -1.228 7.833 1.00 12.63 H new ATOM 0 HD1 PHE B 73 0.253 -4.001 8.291 1.00 16.27 H new ATOM 0 HD2 PHE B 73 3.836 -2.666 6.334 1.00 19.79 H new ATOM 0 HE1 PHE B 73 0.382 -6.151 7.060 1.00 20.44 H new ATOM 0 HE2 PHE B 73 3.964 -4.815 5.103 1.00 18.68 H new ATOM 0 HZ PHE B 73 2.238 -6.557 5.466 1.00 17.88 H new ATOM 2528 N GLY B 74 2.577 -0.217 11.014 1.00 13.82 N ATOM 2529 CA GLY B 74 3.508 0.750 11.659 1.00 13.44 C ATOM 2530 C GLY B 74 3.862 1.858 10.667 1.00 10.42 C ATOM 2531 O GLY B 74 4.898 2.485 10.766 1.00 13.62 O ATOM 0 H GLY B 74 1.587 -0.053 11.197 1.00 13.82 H new ATOM 0 HA2 GLY B 74 3.046 1.178 12.548 1.00 13.44 H new ATOM 0 HA3 GLY B 74 4.413 0.237 11.986 1.00 13.44 H new ATOM 2535 N SER B 75 3.011 2.105 9.709 1.00 12.64 N ATOM 2536 CA SER B 75 3.303 3.172 8.712 1.00 12.47 C ATOM 2537 C SER B 75 2.011 3.578 8.000 1.00 12.47 C ATOM 2538 O SER B 75 1.090 2.795 7.868 1.00 11.32 O ATOM 2539 CB SER B 75 4.306 2.646 7.683 1.00 11.21 C ATOM 2540 OG SER B 75 3.601 2.014 6.623 1.00 18.27 O ATOM 0 H SER B 75 2.127 1.614 9.574 1.00 12.64 H new ATOM 0 HA SER B 75 3.723 4.039 9.223 1.00 12.47 H new ATOM 0 HB2 SER B 75 4.911 3.466 7.295 1.00 11.21 H new ATOM 0 HB3 SER B 75 4.990 1.939 8.153 1.00 11.21 H new ATOM 0 HG SER B 75 4.240 1.677 5.961 1.00 18.27 H new ATOM 2546 N LEU B 76 1.937 4.796 7.540 1.00 12.43 N ATOM 2547 CA LEU B 76 0.708 5.257 6.834 1.00 12.18 C ATOM 2548 C LEU B 76 0.515 4.433 5.557 1.00 12.07 C ATOM 2549 O LEU B 76 1.465 3.984 4.948 1.00 9.82 O ATOM 2550 CB LEU B 76 0.862 6.737 6.476 1.00 11.99 C ATOM 2551 CG LEU B 76 -0.260 7.163 5.528 1.00 8.87 C ATOM 2552 CD1 LEU B 76 -0.511 8.664 5.679 1.00 9.28 C ATOM 2553 CD2 LEU B 76 0.151 6.855 4.084 1.00 7.80 C ATOM 0 H LEU B 76 2.676 5.494 7.623 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.161 5.127 7.479 1.00 12.18 H new ATOM 0 HB2 LEU B 76 0.835 7.344 7.381 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.831 6.908 6.007 1.00 11.99 H new ATOM 0 HG LEU B 76 -1.171 6.617 5.771 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -1.311 8.969 5.004 1.00 9.28 H new ATOM 0 HD12 LEU B 76 -0.801 8.883 6.707 1.00 9.28 H new ATOM 0 HD13 LEU B 76 0.399 9.212 5.434 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -0.647 7.158 3.406 1.00 7.80 H new ATOM 0 HD22 LEU B 76 1.061 7.403 3.840 1.00 7.80 H new ATOM 0 HD23 LEU B 76 0.331 5.785 3.977 1.00 7.80 H new ATOM 2565 N MET B 77 -0.709 4.229 5.149 1.00 14.08 N ATOM 2566 CA MET B 77 -0.961 3.434 3.915 1.00 14.12 C ATOM 2567 C MET B 77 -2.252 3.917 3.251 1.00 11.37 C ATOM 2568 O MET B 77 -3.263 4.103 3.899 1.00 11.44 O ATOM 2569 CB MET B 77 -1.104 1.954 4.280 1.00 16.48 C ATOM 2570 CG MET B 77 0.257 1.398 4.702 1.00 24.75 C ATOM 2571 SD MET B 77 0.226 -0.409 4.605 1.00 35.11 S ATOM 2572 CE MET B 77 1.973 -0.644 4.194 1.00 33.86 C ATOM 0 H MET B 77 -1.545 4.579 5.618 1.00 14.08 H new ATOM 0 HA MET B 77 -0.126 3.561 3.227 1.00 14.12 H new ATOM 0 HB2 MET B 77 -1.824 1.836 5.090 1.00 16.48 H new ATOM 0 HB3 MET B 77 -1.489 1.394 3.428 1.00 16.48 H new ATOM 0 HG2 MET B 77 1.040 1.794 4.056 1.00 24.75 H new ATOM 0 HG3 MET B 77 0.492 1.714 5.718 1.00 24.75 H new ATOM 0 HE1 MET B 77 2.181 -1.708 4.085 1.00 33.86 H new ATOM 0 HE2 MET B 77 2.199 -0.133 3.258 1.00 33.86 H new ATOM 0 HE3 MET B 77 2.593 -0.233 4.991 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.226 4.120 1.964 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.452 4.589 1.259 1.00 11.62 C ATOM 2584 C ILE B 78 -4.527 3.501 1.315 1.00 11.45 C ATOM 2585 O ILE B 78 -4.252 2.331 1.136 1.00 12.59 O ATOM 2586 CB ILE B 78 -3.131 4.869 -0.205 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -2.159 6.045 -0.317 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.423 5.196 -0.955 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.908 5.600 -1.076 1.00 13.67 C ATOM 0 H ILE B 78 -1.409 3.982 1.369 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.809 5.497 1.745 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.667 3.986 -0.643 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.636 6.877 -0.836 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -1.887 6.402 0.676 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -4.195 5.396 -2.002 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -5.107 4.350 -0.888 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -4.889 6.075 -0.510 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.214 6.437 -1.157 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.428 4.782 -0.539 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.188 5.264 -2.074 1.00 13.67 H new ATOM 2601 N ASP B 79 -5.750 3.882 1.539 1.00 10.05 N ATOM 2602 CA ASP B 79 -6.856 2.880 1.579 1.00 14.79 C ATOM 2603 C ASP B 79 -7.682 3.015 0.298 1.00 15.20 C ATOM 2604 O ASP B 79 -8.395 2.116 -0.101 1.00 18.10 O ATOM 2605 CB ASP B 79 -7.745 3.143 2.797 1.00 12.21 C ATOM 2606 CG ASP B 79 -8.567 1.891 3.110 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -9.514 1.634 2.386 1.00 21.87 O ATOM 2608 OD2 ASP B 79 -8.235 1.212 4.067 1.00 24.06 O ATOM 0 H ASP B 79 -6.037 4.848 1.697 1.00 10.05 H new ATOM 0 HA ASP B 79 -6.445 1.873 1.653 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -7.131 3.412 3.657 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -8.407 3.986 2.602 1.00 12.21 H new ATOM 2613 N ARG B 80 -7.569 4.141 -0.346 1.00 17.08 N ATOM 2614 CA ARG B 80 -8.310 4.396 -1.612 1.00 17.14 C ATOM 2615 C ARG B 80 -8.079 5.853 -1.983 1.00 14.98 C ATOM 2616 O ARG B 80 -8.964 6.680 -1.903 1.00 16.47 O ATOM 2617 CB ARG B 80 -9.806 4.136 -1.422 1.00 17.78 C ATOM 2618 CG ARG B 80 -10.523 4.292 -2.766 1.00 22.76 C ATOM 2619 CD ARG B 80 -10.744 2.914 -3.391 1.00 28.43 C ATOM 2620 NE ARG B 80 -12.172 2.778 -3.821 1.00 33.10 N ATOM 2621 CZ ARG B 80 -13.159 3.090 -3.017 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -12.938 3.352 -1.755 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -14.384 3.085 -3.468 1.00 35.04 N ATOM 0 H ARG B 80 -6.979 4.915 -0.040 1.00 17.08 H new ATOM 0 HA ARG B 80 -7.956 3.731 -2.400 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -9.965 3.133 -1.027 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -10.218 4.834 -0.694 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -11.479 4.796 -2.624 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -9.931 4.916 -3.436 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -10.082 2.782 -4.247 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -10.495 2.134 -2.672 1.00 28.43 H new ATOM 0 HE ARG B 80 -12.381 2.436 -4.759 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -11.988 3.315 -1.385 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -13.715 3.593 -1.141 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -14.568 2.839 -4.441 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -15.157 3.327 -2.848 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.869 6.157 -2.351 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.484 7.550 -2.703 1.00 11.27 C ATOM 2639 C LEU B 81 -7.660 8.309 -3.332 1.00 15.61 C ATOM 2640 O LEU B 81 -8.154 7.960 -4.385 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.277 7.498 -3.645 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.724 7.515 -5.102 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.486 7.539 -6.003 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.541 6.250 -5.392 1.00 18.72 C ATOM 0 H LEU B 81 -6.110 5.480 -2.425 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.212 8.096 -1.799 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.622 8.348 -3.451 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.696 6.597 -3.449 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.336 8.397 -5.294 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -4.797 7.551 -7.048 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -3.897 8.431 -5.789 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -3.882 6.652 -5.815 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -6.864 6.256 -6.433 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -5.926 5.369 -5.208 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -7.415 6.224 -4.741 1.00 18.72 H new ATOM 2656 N ARG B 82 -8.108 9.353 -2.685 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.242 10.142 -3.238 1.00 12.72 C ATOM 2658 C ARG B 82 -8.675 11.245 -4.129 1.00 13.33 C ATOM 2659 O ARG B 82 -8.128 12.218 -3.654 1.00 13.27 O ATOM 2660 CB ARG B 82 -10.045 10.763 -2.093 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.541 10.616 -2.380 1.00 16.22 C ATOM 2662 CD ARG B 82 -12.246 10.068 -1.138 1.00 16.62 C ATOM 2663 NE ARG B 82 -13.034 11.157 -0.494 1.00 15.85 N ATOM 2664 CZ ARG B 82 -13.936 10.871 0.406 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -14.150 9.629 0.751 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -14.624 11.829 0.965 1.00 16.89 N ATOM 0 H ARG B 82 -7.736 9.691 -1.798 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.900 9.495 -3.818 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -9.795 10.273 -1.152 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -9.787 11.816 -1.983 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -11.966 11.581 -2.657 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.696 9.945 -3.225 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -12.903 9.243 -1.414 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -11.513 9.671 -0.436 1.00 16.62 H new ATOM 0 HE ARG B 82 -12.868 12.128 -0.757 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -13.612 8.879 0.317 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -14.855 9.409 1.454 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -14.457 12.799 0.699 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -15.329 11.607 1.668 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.776 11.091 -5.416 1.00 13.53 N ATOM 2681 CA LEU B 83 -8.215 12.124 -6.333 1.00 13.86 C ATOM 2682 C LEU B 83 -9.079 13.382 -6.332 1.00 13.02 C ATOM 2683 O LEU B 83 -10.288 13.329 -6.229 1.00 14.40 O ATOM 2684 CB LEU B 83 -8.143 11.579 -7.757 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.720 11.727 -8.294 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -6.724 11.472 -9.802 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -6.219 13.148 -8.019 1.00 10.58 C ATOM 0 H LEU B 83 -9.222 10.297 -5.875 1.00 13.53 H new ATOM 0 HA LEU B 83 -7.215 12.376 -5.979 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -8.440 10.530 -7.771 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.842 12.117 -8.398 1.00 9.93 H new ATOM 0 HG LEU B 83 -6.064 11.009 -7.802 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.711 11.576 -10.191 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -7.087 10.463 -9.999 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -7.377 12.195 -10.291 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -5.204 13.256 -8.401 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.872 13.866 -8.515 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -6.224 13.334 -6.945 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.450 14.515 -6.459 1.00 11.81 N ATOM 2700 CA VAL B 84 -9.185 15.799 -6.484 1.00 12.86 C ATOM 2701 C VAL B 84 -8.427 16.759 -7.408 1.00 14.98 C ATOM 2702 O VAL B 84 -7.240 16.603 -7.607 1.00 13.59 O ATOM 2703 CB VAL B 84 -9.223 16.367 -5.066 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -10.031 15.435 -4.159 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.794 16.490 -4.528 1.00 17.34 C ATOM 0 H VAL B 84 -7.438 14.602 -6.548 1.00 11.81 H new ATOM 0 HA VAL B 84 -10.204 15.662 -6.845 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.693 17.350 -5.083 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -10.056 15.843 -3.148 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -11.048 15.348 -4.541 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -9.564 14.450 -4.141 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.820 16.895 -3.516 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -7.325 15.506 -4.513 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -7.219 17.156 -5.171 1.00 17.34 H new ATOM 2715 N PRO B 85 -9.120 17.733 -7.934 1.00 18.65 N ATOM 2716 CA PRO B 85 -8.512 18.737 -8.824 1.00 22.41 C ATOM 2717 C PRO B 85 -7.443 19.541 -8.070 1.00 25.70 C ATOM 2718 O PRO B 85 -7.567 19.799 -6.889 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.696 19.595 -9.272 1.00 21.19 C ATOM 2720 CG PRO B 85 -10.802 19.354 -8.233 1.00 18.95 C ATOM 2721 CD PRO B 85 -10.551 17.941 -7.680 1.00 20.63 C ATOM 0 HA PRO B 85 -7.989 18.308 -9.679 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -9.422 20.649 -9.314 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -10.029 19.312 -10.271 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -10.762 20.099 -7.438 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -11.790 19.427 -8.688 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.785 17.877 -6.617 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -11.163 17.195 -8.187 1.00 20.63 H new ATOM 2729 N ALA B 86 -6.383 19.919 -8.739 1.00 31.74 N ATOM 2730 CA ALA B 86 -5.295 20.683 -8.057 1.00 39.94 C ATOM 2731 C ALA B 86 -5.763 22.113 -7.784 1.00 46.96 C ATOM 2732 O ALA B 86 -6.023 22.876 -8.693 1.00 49.29 O ATOM 2733 CB ALA B 86 -4.056 20.713 -8.957 1.00 39.70 C ATOM 0 H ALA B 86 -6.224 19.731 -9.729 1.00 31.74 H new ATOM 0 HA ALA B 86 -5.049 20.199 -7.112 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -3.260 21.270 -8.462 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.721 19.694 -9.149 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -4.304 21.197 -9.902 1.00 39.70 H new ATOM 2739 N LYS B 87 -5.871 22.481 -6.537 1.00 51.78 N ATOM 2740 CA LYS B 87 -6.321 23.862 -6.204 1.00 55.12 C ATOM 2741 C LYS B 87 -7.809 24.008 -6.531 1.00 55.82 C ATOM 2742 O LYS B 87 -8.496 24.683 -5.782 1.00 58.05 O ATOM 2743 CB LYS B 87 -5.517 24.872 -7.025 1.00 52.96 C ATOM 2744 CG LYS B 87 -5.221 26.105 -6.170 1.00 55.49 C ATOM 2745 CD LYS B 87 -3.795 26.016 -5.621 1.00 56.64 C ATOM 2746 CE LYS B 87 -2.914 27.056 -6.317 1.00 58.91 C ATOM 2747 NZ LYS B 87 -2.130 27.806 -5.296 1.00 58.16 N ATOM 2748 OXT LYS B 87 -8.236 23.442 -7.523 1.00 57.66 O ATOM 0 H LYS B 87 -5.667 21.885 -5.734 1.00 51.78 H new ATOM 0 HA LYS B 87 -6.163 24.049 -5.142 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -4.585 24.420 -7.365 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -6.076 25.160 -7.916 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -5.337 27.010 -6.766 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -5.935 26.171 -5.349 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -3.797 26.187 -4.545 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -3.393 25.016 -5.784 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -2.241 26.566 -7.020 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -3.532 27.744 -6.894 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -1.531 28.513 -5.769 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -2.781 28.285 -4.642 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -1.530 27.144 -4.764 1.00 58.16 H new