USER MOD reduce.3.24.130724 H: found=0, std=0, add=1428, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 55 LYS NZ :NH3+ 162:sc= 0.00714 (180deg=0) USER MOD Set 1.2: B 59 THR OG1 : rot 81:sc= 0.586 USER MOD Set 2.1: B 37 ASN : amide:sc= -0.484 K(o=-0.76,f=2.2) USER MOD Set 2.2: B 41 SER OG : rot -49:sc= -0.273 USER MOD Set 3.1: A 7 MET CE :methyl -145:sc= -0.933 (180deg=-2.17!) USER MOD Set 3.2: A 78 SER OG : rot 75:sc= 0.181 USER MOD Set 3.3: B 78 SER OG : rot 76:sc= 0.178 USER MOD Set 4.1: A 55 LYS NZ :NH3+ 162:sc= 0.00891 (180deg=0) USER MOD Set 4.2: A 59 THR OG1 : rot 81:sc= 0.594 USER MOD Set 5.1: A 37 ASN : amide:sc= -0.49 K(o=-0.76,f=2.2) USER MOD Set 5.2: A 41 SER OG : rot -49:sc= -0.271 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -135:sc= -0.634 (180deg=-2.67!) USER MOD Single : A 1 SER OG : rot -150:sc= -0.13 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.377 X(o=-0.38,f=-0.69) USER MOD Single : A 16 GLN : amide:sc= -0.8 K(o=-0.8,f=-2!) USER MOD Single : A 17 TYR OH : rot 121:sc= 0.752 USER MOD Single : A 18 SER OG : rot 103:sc= 0.654 USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00207) USER MOD Single : A 25 HIS : no HD1:sc= -2.78! C(o=-2.8!,f=-6.2!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0788 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -1.35 K(o=-1.3,f=-0.22) USER MOD Single : A 42 HIS : no HD1:sc= -0.843 K(o=-0.84,f=-0.17) USER MOD Single : A 48 LYS NZ :NH3+ 158:sc=-0.00535 (180deg=-0.136) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 162:sc= -0.0319 (180deg=-0.445) USER MOD Single : A 68 CYS SG : rot -27:sc= -0.738 USER MOD Single : A 71 GLN : amide:sc= -1.59 K(o=-1.6,f=-3.6!) USER MOD Single : A 74 MET CE :methyl -178:sc= -6.15! (180deg=-6.32!) USER MOD Single : A 79 MET CE :methyl -120:sc= -0.216 (180deg=-0.844) USER MOD Single : A 81 THR OG1 : rot 91:sc= 0.245 USER MOD Single : A 82 THR OG1 : rot -75:sc= 1.04 USER MOD Single : A 84 CYS SG : rot 130:sc= 0.262 USER MOD Single : A 85 HIS : no HE2:sc= -4.22! C(o=-4.2!,f=-4.6!) USER MOD Single : A 90 HIS : no HD1:sc= -0.362 K(o=-0.36,f=-1.2) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ -139:sc= -0.667 (180deg=-2.81!) USER MOD Single : B 1 SER OG : rot -150:sc= -0.13 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 MET CE :methyl -145:sc= -1.02 (180deg=-2.17!) USER MOD Single : B 15 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.81) USER MOD Single : B 16 GLN : amide:sc= -0.618 K(o=-0.62,f=-1.8!) USER MOD Single : B 17 TYR OH : rot 113:sc= 0.682 USER MOD Single : B 18 SER OG : rot 103:sc= 0.655 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 HIS : no HD1:sc= -2.94! C(o=-2.9!,f=-6.3!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 180:sc= -0.121 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.24) USER MOD Single : B 42 HIS : no HD1:sc= -0.918 K(o=-0.92,f=-0.2) USER MOD Single : B 48 LYS NZ :NH3+ 159:sc=-0.00294 (180deg=-0.146) USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 57 MET CE :methyl 161:sc= -0.0217 (180deg=-0.467) USER MOD Single : B 68 CYS SG : rot -26:sc= -0.75 USER MOD Single : B 71 GLN : amide:sc= -1.59 K(o=-1.6,f=-3.7!) USER MOD Single : B 74 MET CE :methyl -170:sc= -6.14! (180deg=-6.56!) USER MOD Single : B 79 MET CE :methyl -125:sc= -0.242 (180deg=-0.901) USER MOD Single : B 81 THR OG1 : rot 92:sc= 0.324! USER MOD Single : B 82 THR OG1 : rot -81:sc= 0.975 USER MOD Single : B 84 CYS SG : rot 130:sc= 0.244 USER MOD Single : B 85 HIS : no HE2:sc= -4.03! C(o=-4!,f=-4.7!) USER MOD Single : B 90 HIS : no HD1:sc= -0.27 K(o=-0.27,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 6.851 5.089 -13.899 1.00 0.00 N ATOM 2 CA MET A 0 7.726 4.451 -14.924 1.00 0.00 C ATOM 3 C MET A 0 8.012 3.004 -14.520 1.00 0.00 C ATOM 4 O MET A 0 7.745 2.078 -15.259 1.00 0.00 O ATOM 5 CB MET A 0 9.043 5.224 -15.025 1.00 0.00 C ATOM 6 CG MET A 0 8.756 6.678 -15.410 1.00 0.00 C ATOM 7 SD MET A 0 9.187 6.939 -17.148 1.00 0.00 S ATOM 8 CE MET A 0 8.795 8.704 -17.215 1.00 0.00 C ATOM 0 H1 MET A 0 6.092 5.620 -14.372 1.00 0.00 H new ATOM 0 H2 MET A 0 6.434 4.354 -13.293 1.00 0.00 H new ATOM 0 H3 MET A 0 7.416 5.739 -13.316 1.00 0.00 H new ATOM 0 HA MET A 0 7.223 4.465 -15.891 1.00 0.00 H new ATOM 0 HB2 MET A 0 9.572 5.187 -14.073 1.00 0.00 H new ATOM 0 HB3 MET A 0 9.692 4.761 -15.769 1.00 0.00 H new ATOM 0 HG2 MET A 0 7.703 6.907 -15.247 1.00 0.00 H new ATOM 0 HG3 MET A 0 9.331 7.353 -14.776 1.00 0.00 H new ATOM 0 HE1 MET A 0 8.991 9.082 -18.218 1.00 0.00 H new ATOM 0 HE2 MET A 0 7.743 8.853 -16.970 1.00 0.00 H new ATOM 0 HE3 MET A 0 9.414 9.242 -16.497 1.00 0.00 H new ATOM 20 N SER A 1 8.551 2.800 -13.349 1.00 0.00 N ATOM 21 CA SER A 1 8.849 1.411 -12.900 1.00 0.00 C ATOM 22 C SER A 1 7.559 0.749 -12.411 1.00 0.00 C ATOM 23 O SER A 1 6.492 1.328 -12.472 1.00 0.00 O ATOM 24 CB SER A 1 9.866 1.449 -11.760 1.00 0.00 C ATOM 25 OG SER A 1 9.545 2.519 -10.880 1.00 0.00 O ATOM 0 H SER A 1 8.797 3.534 -12.685 1.00 0.00 H new ATOM 0 HA SER A 1 9.260 0.840 -13.732 1.00 0.00 H new ATOM 0 HB2 SER A 1 9.858 0.503 -11.219 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.872 1.580 -12.159 1.00 0.00 H new ATOM 0 HG SER A 1 10.365 2.858 -10.465 1.00 0.00 H new ATOM 31 N GLU A 2 7.647 -0.461 -11.927 1.00 0.00 N ATOM 32 CA GLU A 2 6.423 -1.158 -11.435 1.00 0.00 C ATOM 33 C GLU A 2 5.925 -0.483 -10.155 1.00 0.00 C ATOM 34 O GLU A 2 4.738 -0.341 -9.937 1.00 0.00 O ATOM 35 CB GLU A 2 6.752 -2.623 -11.136 1.00 0.00 C ATOM 36 CG GLU A 2 7.525 -3.227 -12.310 1.00 0.00 C ATOM 37 CD GLU A 2 6.801 -2.908 -13.617 1.00 0.00 C ATOM 38 OE1 GLU A 2 5.610 -3.166 -13.688 1.00 0.00 O ATOM 39 OE2 GLU A 2 7.448 -2.413 -14.525 1.00 0.00 O ATOM 0 H GLU A 2 8.512 -0.996 -11.851 1.00 0.00 H new ATOM 0 HA GLU A 2 5.649 -1.105 -12.200 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.344 -2.694 -10.223 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.834 -3.185 -10.965 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.538 -2.826 -12.336 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.612 -4.306 -12.185 1.00 0.00 H new ATOM 46 N LEU A 3 6.825 -0.073 -9.304 1.00 0.00 N ATOM 47 CA LEU A 3 6.407 0.585 -8.034 1.00 0.00 C ATOM 48 C LEU A 3 6.058 2.049 -8.295 1.00 0.00 C ATOM 49 O LEU A 3 5.021 2.534 -7.890 1.00 0.00 O ATOM 50 CB LEU A 3 7.556 0.520 -7.028 1.00 0.00 C ATOM 51 CG LEU A 3 7.003 0.672 -5.610 1.00 0.00 C ATOM 52 CD1 LEU A 3 6.434 -0.666 -5.136 1.00 0.00 C ATOM 53 CD2 LEU A 3 8.129 1.113 -4.672 1.00 0.00 C ATOM 0 H LEU A 3 7.833 -0.165 -9.433 1.00 0.00 H new ATOM 0 HA LEU A 3 5.533 0.069 -7.637 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.084 -0.429 -7.124 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.279 1.309 -7.234 1.00 0.00 H new ATOM 0 HG LEU A 3 6.211 1.421 -5.605 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.040 -0.556 -4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.633 -0.978 -5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.223 -1.418 -5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.738 1.222 -3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.920 0.364 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.532 2.068 -5.010 1.00 0.00 H new ATOM 65 N GLU A 4 6.919 2.764 -8.957 1.00 0.00 N ATOM 66 CA GLU A 4 6.630 4.201 -9.225 1.00 0.00 C ATOM 67 C GLU A 4 5.305 4.335 -9.983 1.00 0.00 C ATOM 68 O GLU A 4 4.508 5.202 -9.701 1.00 0.00 O ATOM 69 CB GLU A 4 7.762 4.805 -10.058 1.00 0.00 C ATOM 70 CG GLU A 4 7.487 6.293 -10.288 1.00 0.00 C ATOM 71 CD GLU A 4 8.418 6.822 -11.381 1.00 0.00 C ATOM 72 OE1 GLU A 4 9.049 6.011 -12.040 1.00 0.00 O ATOM 73 OE2 GLU A 4 8.486 8.031 -11.540 1.00 0.00 O ATOM 0 H GLU A 4 7.807 2.420 -9.324 1.00 0.00 H new ATOM 0 HA GLU A 4 6.554 4.733 -8.277 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.715 4.675 -9.545 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.841 4.287 -11.014 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.447 6.441 -10.579 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.642 6.849 -9.363 1.00 0.00 H new ATOM 80 N LYS A 5 5.061 3.491 -10.943 1.00 0.00 N ATOM 81 CA LYS A 5 3.784 3.594 -11.703 1.00 0.00 C ATOM 82 C LYS A 5 2.642 2.986 -10.881 1.00 0.00 C ATOM 83 O LYS A 5 1.536 3.489 -10.871 1.00 0.00 O ATOM 84 CB LYS A 5 3.918 2.844 -13.028 1.00 0.00 C ATOM 85 CG LYS A 5 2.994 3.478 -14.065 1.00 0.00 C ATOM 86 CD LYS A 5 3.807 4.402 -14.974 1.00 0.00 C ATOM 87 CE LYS A 5 3.114 4.516 -16.331 1.00 0.00 C ATOM 88 NZ LYS A 5 3.945 5.347 -17.248 1.00 0.00 N ATOM 0 H LYS A 5 5.685 2.738 -11.234 1.00 0.00 H new ATOM 0 HA LYS A 5 3.565 4.643 -11.900 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.951 2.879 -13.375 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.663 1.793 -12.891 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.508 2.703 -14.657 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.204 4.042 -13.568 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.902 5.387 -14.518 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.816 4.010 -15.100 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.963 3.525 -16.758 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.128 4.964 -16.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.472 5.424 -18.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.067 6.296 -16.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.876 4.901 -17.372 1.00 0.00 H new ATOM 102 N ALA A 6 2.899 1.907 -10.195 1.00 0.00 N ATOM 103 CA ALA A 6 1.827 1.266 -9.378 1.00 0.00 C ATOM 104 C ALA A 6 1.669 2.016 -8.053 1.00 0.00 C ATOM 105 O ALA A 6 0.687 2.689 -7.822 1.00 0.00 O ATOM 106 CB ALA A 6 2.206 -0.188 -9.092 1.00 0.00 C ATOM 0 H ALA A 6 3.805 1.440 -10.164 1.00 0.00 H new ATOM 0 HA ALA A 6 0.887 1.300 -9.928 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.424 -0.657 -8.495 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.317 -0.727 -10.033 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.148 -0.217 -8.544 1.00 0.00 H new ATOM 112 N MET A 7 2.634 1.895 -7.185 1.00 0.00 N ATOM 113 CA MET A 7 2.563 2.586 -5.866 1.00 0.00 C ATOM 114 C MET A 7 1.993 3.991 -6.045 1.00 0.00 C ATOM 115 O MET A 7 1.106 4.417 -5.328 1.00 0.00 O ATOM 116 CB MET A 7 3.975 2.692 -5.282 1.00 0.00 C ATOM 117 CG MET A 7 3.915 3.404 -3.929 1.00 0.00 C ATOM 118 SD MET A 7 3.284 2.261 -2.673 1.00 0.00 S ATOM 119 CE MET A 7 1.578 2.865 -2.655 1.00 0.00 C ATOM 0 H MET A 7 3.478 1.341 -7.334 1.00 0.00 H new ATOM 0 HA MET A 7 1.919 2.018 -5.195 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.407 1.698 -5.163 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.623 3.241 -5.966 1.00 0.00 H new ATOM 0 HG2 MET A 7 4.907 3.758 -3.648 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.270 4.280 -3.995 1.00 0.00 H new ATOM 0 HE1 MET A 7 1.180 2.802 -1.642 1.00 0.00 H new ATOM 0 HE2 MET A 7 1.556 3.902 -2.990 1.00 0.00 H new ATOM 0 HE3 MET A 7 0.969 2.255 -3.322 1.00 0.00 H new ATOM 129 N VAL A 8 2.508 4.718 -6.991 1.00 0.00 N ATOM 130 CA VAL A 8 2.013 6.105 -7.213 1.00 0.00 C ATOM 131 C VAL A 8 0.599 6.065 -7.798 1.00 0.00 C ATOM 132 O VAL A 8 -0.246 6.867 -7.450 1.00 0.00 O ATOM 133 CB VAL A 8 2.956 6.833 -8.170 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.570 8.310 -8.233 1.00 0.00 C ATOM 135 CG2 VAL A 8 4.392 6.711 -7.657 1.00 0.00 C ATOM 0 H VAL A 8 3.250 4.414 -7.621 1.00 0.00 H new ATOM 0 HA VAL A 8 1.985 6.637 -6.262 1.00 0.00 H new ATOM 0 HB VAL A 8 2.882 6.390 -9.163 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.241 8.833 -8.915 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.544 8.403 -8.590 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.649 8.749 -7.239 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.067 7.230 -8.338 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.463 7.158 -6.665 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.670 5.659 -7.602 1.00 0.00 H new ATOM 145 N ALA A 9 0.325 5.137 -8.676 1.00 0.00 N ATOM 146 CA ALA A 9 -1.043 5.059 -9.264 1.00 0.00 C ATOM 147 C ALA A 9 -2.067 5.003 -8.129 1.00 0.00 C ATOM 148 O ALA A 9 -3.075 5.681 -8.155 1.00 0.00 O ATOM 149 CB ALA A 9 -1.163 3.803 -10.129 1.00 0.00 C ATOM 0 H ALA A 9 0.985 4.434 -9.009 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.228 5.935 -9.885 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.164 3.750 -10.557 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.427 3.843 -10.932 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.983 2.920 -9.515 1.00 0.00 H new ATOM 155 N LEU A 10 -1.811 4.208 -7.126 1.00 0.00 N ATOM 156 CA LEU A 10 -2.759 4.123 -5.985 1.00 0.00 C ATOM 157 C LEU A 10 -2.995 5.533 -5.445 1.00 0.00 C ATOM 158 O LEU A 10 -4.118 5.986 -5.322 1.00 0.00 O ATOM 159 CB LEU A 10 -2.155 3.247 -4.887 1.00 0.00 C ATOM 160 CG LEU A 10 -3.189 2.217 -4.431 1.00 0.00 C ATOM 161 CD1 LEU A 10 -2.473 1.011 -3.820 1.00 0.00 C ATOM 162 CD2 LEU A 10 -4.113 2.848 -3.385 1.00 0.00 C ATOM 0 H LEU A 10 -0.985 3.614 -7.050 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.703 3.686 -6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.263 2.743 -5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.844 3.864 -4.044 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.780 1.892 -5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.210 0.277 -3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.817 0.561 -4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.881 1.335 -2.964 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.850 2.114 -3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.523 3.174 -2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.624 3.706 -3.821 1.00 0.00 H new ATOM 174 N ILE A 11 -1.939 6.239 -5.138 1.00 0.00 N ATOM 175 CA ILE A 11 -2.100 7.627 -4.626 1.00 0.00 C ATOM 176 C ILE A 11 -3.041 8.384 -5.562 1.00 0.00 C ATOM 177 O ILE A 11 -3.816 9.226 -5.143 1.00 0.00 O ATOM 178 CB ILE A 11 -0.734 8.319 -4.599 1.00 0.00 C ATOM 179 CG1 ILE A 11 0.165 7.631 -3.572 1.00 0.00 C ATOM 180 CG2 ILE A 11 -0.912 9.789 -4.214 1.00 0.00 C ATOM 181 CD1 ILE A 11 -0.523 7.642 -2.206 1.00 0.00 C ATOM 0 H ILE A 11 -0.976 5.914 -5.220 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.513 7.611 -3.617 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.276 8.255 -5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.369 6.606 -3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.125 8.143 -3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.061 10.281 -4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.553 10.281 -4.945 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.370 9.854 -3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.117 7.152 -1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.705 8.672 -1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.472 7.110 -2.272 1.00 0.00 H new ATOM 193 N ASP A 12 -2.982 8.081 -6.830 1.00 0.00 N ATOM 194 CA ASP A 12 -3.870 8.765 -7.808 1.00 0.00 C ATOM 195 C ASP A 12 -5.329 8.462 -7.464 1.00 0.00 C ATOM 196 O ASP A 12 -6.168 9.341 -7.446 1.00 0.00 O ATOM 197 CB ASP A 12 -3.556 8.248 -9.214 1.00 0.00 C ATOM 198 CG ASP A 12 -3.857 9.341 -10.242 1.00 0.00 C ATOM 199 OD1 ASP A 12 -3.153 10.337 -10.243 1.00 0.00 O ATOM 200 OD2 ASP A 12 -4.786 9.160 -11.012 1.00 0.00 O ATOM 0 H ASP A 12 -2.353 7.385 -7.231 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.706 9.842 -7.769 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.509 7.953 -9.278 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.151 7.360 -9.427 1.00 0.00 H new ATOM 205 N VAL A 13 -5.641 7.223 -7.185 1.00 0.00 N ATOM 206 CA VAL A 13 -7.048 6.873 -6.839 1.00 0.00 C ATOM 207 C VAL A 13 -7.577 7.879 -5.816 1.00 0.00 C ATOM 208 O VAL A 13 -8.726 8.270 -5.854 1.00 0.00 O ATOM 209 CB VAL A 13 -7.108 5.463 -6.246 1.00 0.00 C ATOM 210 CG1 VAL A 13 -8.505 5.207 -5.677 1.00 0.00 C ATOM 211 CG2 VAL A 13 -6.818 4.434 -7.341 1.00 0.00 C ATOM 0 H VAL A 13 -4.984 6.442 -7.182 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.659 6.904 -7.741 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.365 5.375 -5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.548 4.203 -5.255 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.720 5.938 -4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.244 5.298 -6.473 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.861 3.430 -6.918 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.561 4.526 -8.133 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.825 4.612 -7.753 1.00 0.00 H new ATOM 221 N PHE A 14 -6.747 8.308 -4.901 1.00 0.00 N ATOM 222 CA PHE A 14 -7.213 9.293 -3.884 1.00 0.00 C ATOM 223 C PHE A 14 -7.622 10.591 -4.586 1.00 0.00 C ATOM 224 O PHE A 14 -8.656 11.161 -4.302 1.00 0.00 O ATOM 225 CB PHE A 14 -6.088 9.592 -2.890 1.00 0.00 C ATOM 226 CG PHE A 14 -6.684 9.822 -1.523 1.00 0.00 C ATOM 227 CD1 PHE A 14 -7.149 11.094 -1.167 1.00 0.00 C ATOM 228 CD2 PHE A 14 -6.780 8.761 -0.613 1.00 0.00 C ATOM 229 CE1 PHE A 14 -7.705 11.307 0.101 1.00 0.00 C ATOM 230 CE2 PHE A 14 -7.336 8.974 0.654 1.00 0.00 C ATOM 231 CZ PHE A 14 -7.801 10.246 1.010 1.00 0.00 C ATOM 0 H PHE A 14 -5.772 8.020 -4.815 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.065 8.876 -3.348 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.384 8.761 -2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.529 10.471 -3.209 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.079 11.911 -1.870 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.425 7.779 -0.889 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.059 12.289 0.377 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.406 8.157 1.357 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.234 10.409 1.986 1.00 0.00 H new ATOM 241 N HIS A 15 -6.818 11.060 -5.503 1.00 0.00 N ATOM 242 CA HIS A 15 -7.164 12.319 -6.223 1.00 0.00 C ATOM 243 C HIS A 15 -8.387 12.081 -7.113 1.00 0.00 C ATOM 244 O HIS A 15 -8.929 12.996 -7.699 1.00 0.00 O ATOM 245 CB HIS A 15 -5.978 12.754 -7.089 1.00 0.00 C ATOM 246 CG HIS A 15 -6.346 13.989 -7.863 1.00 0.00 C ATOM 247 ND1 HIS A 15 -6.990 15.066 -7.275 1.00 0.00 N ATOM 248 CD2 HIS A 15 -6.164 14.333 -9.180 1.00 0.00 C ATOM 249 CE1 HIS A 15 -7.172 15.999 -8.227 1.00 0.00 C ATOM 250 NE2 HIS A 15 -6.687 15.604 -9.407 1.00 0.00 N ATOM 0 H HIS A 15 -5.939 10.626 -5.784 1.00 0.00 H new ATOM 0 HA HIS A 15 -7.391 13.101 -5.498 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -5.109 12.951 -6.461 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.701 11.952 -7.774 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.688 13.713 -9.926 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.652 16.952 -8.058 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -6.697 16.122 -10.286 1.00 0.00 H new ATOM 258 N GLN A 16 -8.825 10.855 -7.219 1.00 0.00 N ATOM 259 CA GLN A 16 -10.010 10.551 -8.070 1.00 0.00 C ATOM 260 C GLN A 16 -11.281 10.584 -7.214 1.00 0.00 C ATOM 261 O GLN A 16 -12.197 11.339 -7.474 1.00 0.00 O ATOM 262 CB GLN A 16 -9.844 9.158 -8.683 1.00 0.00 C ATOM 263 CG GLN A 16 -10.755 9.021 -9.903 1.00 0.00 C ATOM 264 CD GLN A 16 -9.904 8.774 -11.151 1.00 0.00 C ATOM 265 OE1 GLN A 16 -9.168 7.808 -11.216 1.00 0.00 O ATOM 266 NE2 GLN A 16 -9.972 9.611 -12.149 1.00 0.00 N ATOM 0 H GLN A 16 -8.411 10.049 -6.751 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.091 11.295 -8.863 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.805 8.999 -8.973 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.090 8.394 -7.946 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.454 8.197 -9.758 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.350 9.925 -10.029 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.589 10.421 -12.094 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.408 9.455 -12.984 1.00 0.00 H new ATOM 275 N TYR A 17 -11.345 9.769 -6.196 1.00 0.00 N ATOM 276 CA TYR A 17 -12.556 9.751 -5.324 1.00 0.00 C ATOM 277 C TYR A 17 -12.562 10.992 -4.429 1.00 0.00 C ATOM 278 O TYR A 17 -13.464 11.806 -4.483 1.00 0.00 O ATOM 279 CB TYR A 17 -12.535 8.497 -4.446 1.00 0.00 C ATOM 280 CG TYR A 17 -12.765 7.271 -5.297 1.00 0.00 C ATOM 281 CD1 TYR A 17 -11.745 6.799 -6.134 1.00 0.00 C ATOM 282 CD2 TYR A 17 -13.995 6.603 -5.246 1.00 0.00 C ATOM 283 CE1 TYR A 17 -11.958 5.659 -6.921 1.00 0.00 C ATOM 284 CE2 TYR A 17 -14.206 5.463 -6.032 1.00 0.00 C ATOM 285 CZ TYR A 17 -13.188 4.992 -6.869 1.00 0.00 C ATOM 286 OH TYR A 17 -13.396 3.869 -7.644 1.00 0.00 O ATOM 0 H TYR A 17 -10.610 9.114 -5.930 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.449 9.747 -5.949 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.577 8.419 -3.931 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.305 8.567 -3.678 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.796 7.313 -6.173 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -14.781 6.967 -4.601 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -11.173 5.295 -7.568 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -15.154 4.947 -5.992 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.608 3.107 -7.065 1.00 0.00 H new ATOM 296 N SER A 18 -11.563 11.143 -3.602 1.00 0.00 N ATOM 297 CA SER A 18 -11.513 12.329 -2.699 1.00 0.00 C ATOM 298 C SER A 18 -11.271 13.593 -3.527 1.00 0.00 C ATOM 299 O SER A 18 -11.325 14.697 -3.021 1.00 0.00 O ATOM 300 CB SER A 18 -10.378 12.155 -1.692 1.00 0.00 C ATOM 301 OG SER A 18 -10.627 12.977 -0.559 1.00 0.00 O ATOM 0 H SER A 18 -10.779 10.496 -3.513 1.00 0.00 H new ATOM 0 HA SER A 18 -12.460 12.420 -2.167 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.302 11.111 -1.389 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.426 12.424 -2.149 1.00 0.00 H new ATOM 0 HG SER A 18 -10.965 12.426 0.177 1.00 0.00 H new ATOM 307 N GLY A 19 -11.004 13.443 -4.795 1.00 0.00 N ATOM 308 CA GLY A 19 -10.760 14.637 -5.650 1.00 0.00 C ATOM 309 C GLY A 19 -12.099 15.238 -6.084 1.00 0.00 C ATOM 310 O GLY A 19 -12.147 16.153 -6.883 1.00 0.00 O ATOM 0 H GLY A 19 -10.944 12.545 -5.275 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.178 15.377 -5.101 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.175 14.357 -6.526 1.00 0.00 H new ATOM 314 N ARG A 20 -13.187 14.734 -5.565 1.00 0.00 N ATOM 315 CA ARG A 20 -14.518 15.278 -5.950 1.00 0.00 C ATOM 316 C ARG A 20 -14.744 16.622 -5.245 1.00 0.00 C ATOM 317 O ARG A 20 -14.238 17.643 -5.667 1.00 0.00 O ATOM 318 CB ARG A 20 -15.613 14.283 -5.550 1.00 0.00 C ATOM 319 CG ARG A 20 -15.406 12.963 -6.300 1.00 0.00 C ATOM 320 CD ARG A 20 -16.587 12.720 -7.241 1.00 0.00 C ATOM 321 NE ARG A 20 -16.284 11.559 -8.126 1.00 0.00 N ATOM 322 CZ ARG A 20 -17.180 10.629 -8.313 1.00 0.00 C ATOM 323 NH1 ARG A 20 -17.778 10.083 -7.288 1.00 0.00 N ATOM 324 NH2 ARG A 20 -17.479 10.244 -9.523 1.00 0.00 N ATOM 0 H ARG A 20 -13.210 13.969 -4.891 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.554 15.431 -7.029 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -15.586 14.110 -4.474 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -16.595 14.695 -5.782 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.476 12.997 -6.868 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.317 12.140 -5.591 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -17.492 12.526 -6.665 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.777 13.610 -7.842 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.376 11.492 -8.586 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.545 10.384 -6.342 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.478 9.356 -7.434 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.012 10.670 -10.324 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.179 9.517 -9.668 1.00 0.00 H new ATOM 338 N GLU A 21 -15.496 16.637 -4.174 1.00 0.00 N ATOM 339 CA GLU A 21 -15.741 17.921 -3.457 1.00 0.00 C ATOM 340 C GLU A 21 -16.247 17.627 -2.043 1.00 0.00 C ATOM 341 O GLU A 21 -16.208 16.503 -1.580 1.00 0.00 O ATOM 342 CB GLU A 21 -16.789 18.734 -4.216 1.00 0.00 C ATOM 343 CG GLU A 21 -18.030 17.871 -4.456 1.00 0.00 C ATOM 344 CD GLU A 21 -19.288 18.698 -4.183 1.00 0.00 C ATOM 345 OE1 GLU A 21 -19.411 19.763 -4.764 1.00 0.00 O ATOM 346 OE2 GLU A 21 -20.107 18.251 -3.396 1.00 0.00 O ATOM 0 H GLU A 21 -15.949 15.818 -3.768 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.813 18.489 -3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.057 19.624 -3.646 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.381 19.075 -5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.038 17.505 -5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.009 16.996 -3.806 1.00 0.00 H new ATOM 353 N GLY A 22 -16.718 18.628 -1.350 1.00 0.00 N ATOM 354 CA GLY A 22 -17.220 18.403 0.034 1.00 0.00 C ATOM 355 C GLY A 22 -16.045 18.054 0.945 1.00 0.00 C ATOM 356 O GLY A 22 -15.418 18.919 1.524 1.00 0.00 O ATOM 0 H GLY A 22 -16.777 19.590 -1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.726 19.297 0.400 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.953 17.596 0.041 1.00 0.00 H new ATOM 360 N ASP A 23 -15.736 16.794 1.074 1.00 0.00 N ATOM 361 CA ASP A 23 -14.596 16.392 1.944 1.00 0.00 C ATOM 362 C ASP A 23 -13.411 15.978 1.067 1.00 0.00 C ATOM 363 O ASP A 23 -13.341 14.864 0.585 1.00 0.00 O ATOM 364 CB ASP A 23 -15.008 15.218 2.843 1.00 0.00 C ATOM 365 CG ASP A 23 -16.160 14.439 2.202 1.00 0.00 C ATOM 366 OD1 ASP A 23 -15.940 13.846 1.159 1.00 0.00 O ATOM 367 OD2 ASP A 23 -17.242 14.447 2.768 1.00 0.00 O ATOM 0 H ASP A 23 -16.224 16.025 0.614 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.310 17.235 2.573 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.157 14.556 3.002 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.311 15.589 3.822 1.00 0.00 H new ATOM 372 N LYS A 24 -12.483 16.871 0.852 1.00 0.00 N ATOM 373 CA LYS A 24 -11.305 16.535 0.002 1.00 0.00 C ATOM 374 C LYS A 24 -10.090 16.259 0.891 1.00 0.00 C ATOM 375 O LYS A 24 -9.990 16.756 1.995 1.00 0.00 O ATOM 376 CB LYS A 24 -11.001 17.711 -0.930 1.00 0.00 C ATOM 377 CG LYS A 24 -9.732 17.416 -1.734 1.00 0.00 C ATOM 378 CD LYS A 24 -9.848 18.048 -3.123 1.00 0.00 C ATOM 379 CE LYS A 24 -8.683 17.583 -3.999 1.00 0.00 C ATOM 380 NZ LYS A 24 -7.437 18.295 -3.591 1.00 0.00 N ATOM 0 H LYS A 24 -12.490 17.819 1.228 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.526 15.647 -0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.840 17.879 -1.605 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.871 18.624 -0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.860 17.812 -1.214 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.588 16.339 -1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.796 17.768 -3.583 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.843 19.135 -3.040 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.548 16.506 -3.901 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.901 17.782 -5.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.649 17.991 -4.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.575 19.321 -3.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.217 18.070 -2.600 1.00 0.00 H new ATOM 394 N HIS A 25 -9.168 15.466 0.417 1.00 0.00 N ATOM 395 CA HIS A 25 -7.959 15.150 1.228 1.00 0.00 C ATOM 396 C HIS A 25 -8.334 14.178 2.349 1.00 0.00 C ATOM 397 O HIS A 25 -7.522 13.841 3.186 1.00 0.00 O ATOM 398 CB HIS A 25 -7.393 16.437 1.835 1.00 0.00 C ATOM 399 CG HIS A 25 -5.977 16.195 2.284 1.00 0.00 C ATOM 400 ND1 HIS A 25 -5.351 17.000 3.223 1.00 0.00 N ATOM 401 CD2 HIS A 25 -5.053 15.241 1.931 1.00 0.00 C ATOM 402 CE1 HIS A 25 -4.106 16.520 3.400 1.00 0.00 C ATOM 403 NE2 HIS A 25 -3.873 15.449 2.638 1.00 0.00 N ATOM 0 H HIS A 25 -9.201 15.022 -0.501 1.00 0.00 H new ATOM 0 HA HIS A 25 -7.206 14.692 0.587 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -7.421 17.242 1.101 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.005 16.754 2.679 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -5.218 14.450 1.214 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -3.383 16.950 4.077 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -3.014 14.901 2.585 1.00 0.00 H new ATOM 411 N LYS A 26 -9.557 13.721 2.371 1.00 0.00 N ATOM 412 CA LYS A 26 -9.976 12.769 3.437 1.00 0.00 C ATOM 413 C LYS A 26 -10.842 11.665 2.824 1.00 0.00 C ATOM 414 O LYS A 26 -11.639 11.909 1.940 1.00 0.00 O ATOM 415 CB LYS A 26 -10.776 13.516 4.510 1.00 0.00 C ATOM 416 CG LYS A 26 -12.142 13.921 3.952 1.00 0.00 C ATOM 417 CD LYS A 26 -13.052 14.360 5.103 1.00 0.00 C ATOM 418 CE LYS A 26 -13.919 13.179 5.548 1.00 0.00 C ATOM 419 NZ LYS A 26 -15.150 13.689 6.218 1.00 0.00 N ATOM 0 H LYS A 26 -10.283 13.966 1.697 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.092 12.324 3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.905 12.882 5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.229 14.401 4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.028 14.733 3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.591 13.084 3.417 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.451 14.719 5.939 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.684 15.189 4.785 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.188 12.567 4.687 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.359 12.540 6.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.739 12.887 6.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.884 14.255 7.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.687 14.281 5.553 1.00 0.00 H new ATOM 433 N LEU A 27 -10.693 10.453 3.286 1.00 0.00 N ATOM 434 CA LEU A 27 -11.507 9.335 2.731 1.00 0.00 C ATOM 435 C LEU A 27 -12.606 8.960 3.728 1.00 0.00 C ATOM 436 O LEU A 27 -12.889 9.691 4.657 1.00 0.00 O ATOM 437 CB LEU A 27 -10.608 8.121 2.484 1.00 0.00 C ATOM 438 CG LEU A 27 -10.569 7.805 0.988 1.00 0.00 C ATOM 439 CD1 LEU A 27 -11.909 7.205 0.560 1.00 0.00 C ATOM 440 CD2 LEU A 27 -10.313 9.092 0.199 1.00 0.00 C ATOM 0 H LEU A 27 -10.041 10.189 4.025 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.960 9.649 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.601 8.322 2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.983 7.260 3.038 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.769 7.092 0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.883 6.979 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.093 6.288 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.708 7.919 0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.285 8.866 -0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.112 9.806 0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.359 9.522 0.504 1.00 0.00 H new ATOM 452 N LYS A 28 -13.227 7.826 3.545 1.00 0.00 N ATOM 453 CA LYS A 28 -14.303 7.404 4.480 1.00 0.00 C ATOM 454 C LYS A 28 -14.333 5.877 4.554 1.00 0.00 C ATOM 455 O LYS A 28 -13.772 5.195 3.720 1.00 0.00 O ATOM 456 CB LYS A 28 -15.648 7.917 3.965 1.00 0.00 C ATOM 457 CG LYS A 28 -16.297 8.799 5.031 1.00 0.00 C ATOM 458 CD LYS A 28 -17.160 9.868 4.359 1.00 0.00 C ATOM 459 CE LYS A 28 -18.312 10.257 5.290 1.00 0.00 C ATOM 460 NZ LYS A 28 -19.270 11.135 4.562 1.00 0.00 N ATOM 0 H LYS A 28 -13.033 7.174 2.785 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.113 7.814 5.472 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.505 8.484 3.045 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.301 7.078 3.724 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.908 8.191 5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.529 9.270 5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.555 10.744 4.126 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.553 9.492 3.415 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.822 9.362 5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.924 10.774 6.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -20.051 11.398 5.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.779 11.995 4.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -19.649 10.627 3.738 1.00 0.00 H new ATOM 474 N LYS A 29 -14.984 5.333 5.544 1.00 0.00 N ATOM 475 CA LYS A 29 -15.050 3.849 5.663 1.00 0.00 C ATOM 476 C LYS A 29 -16.060 3.313 4.650 1.00 0.00 C ATOM 477 O LYS A 29 -15.959 2.196 4.185 1.00 0.00 O ATOM 478 CB LYS A 29 -15.488 3.473 7.076 1.00 0.00 C ATOM 479 CG LYS A 29 -14.584 4.174 8.089 1.00 0.00 C ATOM 480 CD LYS A 29 -15.236 4.114 9.469 1.00 0.00 C ATOM 481 CE LYS A 29 -14.244 3.532 10.477 1.00 0.00 C ATOM 482 NZ LYS A 29 -13.673 4.631 11.305 1.00 0.00 N ATOM 0 H LYS A 29 -15.473 5.850 6.275 1.00 0.00 H new ATOM 0 HA LYS A 29 -14.069 3.417 5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -16.526 3.763 7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.434 2.393 7.210 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.606 3.694 8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.423 5.211 7.794 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.544 5.112 9.781 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.135 3.499 9.432 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.744 2.803 11.116 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.446 3.004 9.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.998 4.235 11.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.182 5.310 10.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.439 5.116 11.814 1.00 0.00 H new ATOM 496 N SER A 30 -17.033 4.109 4.303 1.00 0.00 N ATOM 497 CA SER A 30 -18.052 3.658 3.311 1.00 0.00 C ATOM 498 C SER A 30 -17.440 3.687 1.907 1.00 0.00 C ATOM 499 O SER A 30 -17.687 2.817 1.097 1.00 0.00 O ATOM 500 CB SER A 30 -19.266 4.590 3.360 1.00 0.00 C ATOM 501 OG SER A 30 -19.039 5.704 2.506 1.00 0.00 O ATOM 0 H SER A 30 -17.168 5.054 4.663 1.00 0.00 H new ATOM 0 HA SER A 30 -18.368 2.643 3.551 1.00 0.00 H new ATOM 0 HB2 SER A 30 -20.163 4.055 3.048 1.00 0.00 H new ATOM 0 HB3 SER A 30 -19.437 4.929 4.382 1.00 0.00 H new ATOM 0 HG SER A 30 -19.815 6.301 2.534 1.00 0.00 H new ATOM 507 N GLU A 31 -16.629 4.670 1.616 1.00 0.00 N ATOM 508 CA GLU A 31 -15.991 4.737 0.273 1.00 0.00 C ATOM 509 C GLU A 31 -14.721 3.894 0.312 1.00 0.00 C ATOM 510 O GLU A 31 -14.206 3.471 -0.703 1.00 0.00 O ATOM 511 CB GLU A 31 -15.637 6.188 -0.061 1.00 0.00 C ATOM 512 CG GLU A 31 -15.564 6.363 -1.578 1.00 0.00 C ATOM 513 CD GLU A 31 -15.816 7.831 -1.930 1.00 0.00 C ATOM 514 OE1 GLU A 31 -16.232 8.568 -1.051 1.00 0.00 O ATOM 515 OE2 GLU A 31 -15.590 8.192 -3.074 1.00 0.00 O ATOM 0 H GLU A 31 -16.382 5.428 2.252 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.673 4.361 -0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.386 6.861 0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.682 6.453 0.392 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.586 6.052 -1.945 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.304 5.728 -2.065 1.00 0.00 H new ATOM 522 N LEU A 32 -14.227 3.628 1.489 1.00 0.00 N ATOM 523 CA LEU A 32 -13.012 2.786 1.608 1.00 0.00 C ATOM 524 C LEU A 32 -13.450 1.330 1.472 1.00 0.00 C ATOM 525 O LEU A 32 -12.734 0.497 0.958 1.00 0.00 O ATOM 526 CB LEU A 32 -12.365 3.010 2.978 1.00 0.00 C ATOM 527 CG LEU A 32 -11.391 1.869 3.277 1.00 0.00 C ATOM 528 CD1 LEU A 32 -10.387 1.738 2.131 1.00 0.00 C ATOM 529 CD2 LEU A 32 -10.641 2.167 4.577 1.00 0.00 C ATOM 0 H LEU A 32 -14.615 3.959 2.372 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.285 3.041 0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.838 3.964 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.132 3.059 3.751 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.947 0.937 3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.694 0.925 2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.919 1.526 1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.831 2.670 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.947 1.354 4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.087 3.100 4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.355 2.259 5.396 1.00 0.00 H new ATOM 541 N LYS A 33 -14.642 1.036 1.919 1.00 0.00 N ATOM 542 CA LYS A 33 -15.172 -0.351 1.815 1.00 0.00 C ATOM 543 C LYS A 33 -15.356 -0.691 0.342 1.00 0.00 C ATOM 544 O LYS A 33 -15.005 -1.762 -0.114 1.00 0.00 O ATOM 545 CB LYS A 33 -16.525 -0.422 2.527 1.00 0.00 C ATOM 546 CG LYS A 33 -16.836 -1.875 2.896 1.00 0.00 C ATOM 547 CD LYS A 33 -17.728 -2.496 1.821 1.00 0.00 C ATOM 548 CE LYS A 33 -19.167 -2.011 2.009 1.00 0.00 C ATOM 549 NZ LYS A 33 -19.900 -2.956 2.900 1.00 0.00 N ATOM 0 H LYS A 33 -15.276 1.706 2.356 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.481 -1.057 2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.508 0.196 3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -17.308 -0.025 1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -15.911 -2.444 2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.334 -1.916 3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.367 -2.221 0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.688 -3.583 1.884 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.171 -1.010 2.441 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -19.668 -1.943 1.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.878 -2.626 3.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -19.908 -3.903 2.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.426 -2.999 3.825 1.00 0.00 H new ATOM 563 N GLU A 34 -15.893 0.227 -0.411 1.00 0.00 N ATOM 564 CA GLU A 34 -16.089 -0.019 -1.861 1.00 0.00 C ATOM 565 C GLU A 34 -14.716 -0.027 -2.530 1.00 0.00 C ATOM 566 O GLU A 34 -14.414 -0.848 -3.373 1.00 0.00 O ATOM 567 CB GLU A 34 -16.973 1.099 -2.440 1.00 0.00 C ATOM 568 CG GLU A 34 -16.134 2.341 -2.767 1.00 0.00 C ATOM 569 CD GLU A 34 -16.982 3.332 -3.566 1.00 0.00 C ATOM 570 OE1 GLU A 34 -17.863 3.938 -2.977 1.00 0.00 O ATOM 571 OE2 GLU A 34 -16.738 3.467 -4.754 1.00 0.00 O ATOM 0 H GLU A 34 -16.205 1.140 -0.081 1.00 0.00 H new ATOM 0 HA GLU A 34 -16.581 -0.976 -2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -17.472 0.744 -3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -17.753 1.359 -1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.781 2.807 -1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.251 2.057 -3.340 1.00 0.00 H new ATOM 578 N LEU A 35 -13.883 0.888 -2.135 1.00 0.00 N ATOM 579 CA LEU A 35 -12.515 0.968 -2.710 1.00 0.00 C ATOM 580 C LEU A 35 -11.901 -0.435 -2.764 1.00 0.00 C ATOM 581 O LEU A 35 -11.285 -0.816 -3.740 1.00 0.00 O ATOM 582 CB LEU A 35 -11.659 1.877 -1.822 1.00 0.00 C ATOM 583 CG LEU A 35 -10.848 2.838 -2.696 1.00 0.00 C ATOM 584 CD1 LEU A 35 -9.946 2.039 -3.639 1.00 0.00 C ATOM 585 CD2 LEU A 35 -11.803 3.707 -3.518 1.00 0.00 C ATOM 0 H LEU A 35 -14.093 1.594 -1.429 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.557 1.376 -3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.296 2.440 -1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.989 1.275 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.232 3.474 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.370 2.725 -4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.265 1.420 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.559 1.401 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.227 4.392 -4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.419 3.070 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.444 4.279 -2.847 1.00 0.00 H new ATOM 597 N ILE A 36 -12.063 -1.209 -1.722 1.00 0.00 N ATOM 598 CA ILE A 36 -11.482 -2.584 -1.720 1.00 0.00 C ATOM 599 C ILE A 36 -12.377 -3.531 -2.523 1.00 0.00 C ATOM 600 O ILE A 36 -11.940 -4.164 -3.464 1.00 0.00 O ATOM 601 CB ILE A 36 -11.380 -3.107 -0.284 1.00 0.00 C ATOM 602 CG1 ILE A 36 -11.258 -1.932 0.693 1.00 0.00 C ATOM 603 CG2 ILE A 36 -10.153 -4.014 -0.167 1.00 0.00 C ATOM 604 CD1 ILE A 36 -10.706 -2.423 2.036 1.00 0.00 C ATOM 0 H ILE A 36 -12.570 -0.950 -0.876 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.490 -2.541 -2.170 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.277 -3.674 -0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.600 -1.169 0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.233 -1.467 0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.074 -4.390 0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.253 -4.853 -0.856 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.256 -3.446 -0.415 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.622 -1.582 2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.380 -3.170 2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.722 -2.867 1.885 1.00 0.00 H new ATOM 616 N ASN A 37 -13.620 -3.648 -2.146 1.00 0.00 N ATOM 617 CA ASN A 37 -14.537 -4.572 -2.871 1.00 0.00 C ATOM 618 C ASN A 37 -14.958 -3.965 -4.214 1.00 0.00 C ATOM 619 O ASN A 37 -14.708 -4.524 -5.263 1.00 0.00 O ATOM 620 CB ASN A 37 -15.785 -4.825 -2.020 1.00 0.00 C ATOM 621 CG ASN A 37 -16.612 -5.949 -2.648 1.00 0.00 C ATOM 622 OD1 ASN A 37 -17.655 -5.704 -3.220 1.00 0.00 O ATOM 623 ND2 ASN A 37 -16.189 -7.182 -2.564 1.00 0.00 N ATOM 0 H ASN A 37 -14.041 -3.143 -1.366 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.014 -5.511 -3.054 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.497 -5.095 -1.004 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.381 -3.915 -1.951 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -16.734 -7.938 -2.979 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -15.313 -7.389 -2.084 1.00 0.00 H new ATOM 630 N ASN A 38 -15.612 -2.837 -4.189 1.00 0.00 N ATOM 631 CA ASN A 38 -16.067 -2.213 -5.464 1.00 0.00 C ATOM 632 C ASN A 38 -14.902 -2.117 -6.454 1.00 0.00 C ATOM 633 O ASN A 38 -15.099 -2.135 -7.653 1.00 0.00 O ATOM 634 CB ASN A 38 -16.621 -0.812 -5.184 1.00 0.00 C ATOM 635 CG ASN A 38 -17.027 -0.155 -6.503 1.00 0.00 C ATOM 636 OD1 ASN A 38 -18.191 -0.136 -6.853 1.00 0.00 O ATOM 637 ND2 ASN A 38 -16.110 0.389 -7.253 1.00 0.00 N ATOM 0 H ASN A 38 -15.851 -2.321 -3.342 1.00 0.00 H new ATOM 0 HA ASN A 38 -16.850 -2.834 -5.900 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -17.480 -0.875 -4.517 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.869 -0.206 -4.679 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -16.369 0.831 -8.135 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -15.134 0.372 -6.958 1.00 0.00 H new ATOM 644 N GLU A 39 -13.693 -2.006 -5.976 1.00 0.00 N ATOM 645 CA GLU A 39 -12.536 -1.902 -6.915 1.00 0.00 C ATOM 646 C GLU A 39 -11.814 -3.250 -7.016 1.00 0.00 C ATOM 647 O GLU A 39 -11.868 -3.917 -8.030 1.00 0.00 O ATOM 648 CB GLU A 39 -11.561 -0.838 -6.411 1.00 0.00 C ATOM 649 CG GLU A 39 -11.164 0.076 -7.573 1.00 0.00 C ATOM 650 CD GLU A 39 -11.808 1.450 -7.386 1.00 0.00 C ATOM 651 OE1 GLU A 39 -12.991 1.492 -7.086 1.00 0.00 O ATOM 652 OE2 GLU A 39 -11.109 2.437 -7.547 1.00 0.00 O ATOM 0 H GLU A 39 -13.455 -1.983 -4.984 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.906 -1.622 -7.901 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.022 -0.254 -5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.676 -1.311 -5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.079 0.174 -7.618 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.484 -0.361 -8.519 1.00 0.00 H new ATOM 659 N LEU A 40 -11.126 -3.650 -5.982 1.00 0.00 N ATOM 660 CA LEU A 40 -10.391 -4.942 -6.029 1.00 0.00 C ATOM 661 C LEU A 40 -11.383 -6.113 -5.987 1.00 0.00 C ATOM 662 O LEU A 40 -11.968 -6.474 -6.989 1.00 0.00 O ATOM 663 CB LEU A 40 -9.441 -5.011 -4.833 1.00 0.00 C ATOM 664 CG LEU A 40 -8.445 -3.853 -4.908 1.00 0.00 C ATOM 665 CD1 LEU A 40 -7.477 -3.931 -3.727 1.00 0.00 C ATOM 666 CD2 LEU A 40 -7.658 -3.942 -6.217 1.00 0.00 C ATOM 0 H LEU A 40 -11.042 -3.135 -5.105 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.820 -5.009 -6.955 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.006 -4.959 -3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.910 -5.963 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.986 -2.908 -4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.768 -3.105 -3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.036 -3.867 -2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.936 -4.876 -3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.948 -3.117 -6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.118 -4.888 -6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.346 -3.884 -7.060 1.00 0.00 H new ATOM 678 N SER A 41 -11.578 -6.714 -4.843 1.00 0.00 N ATOM 679 CA SER A 41 -12.531 -7.858 -4.755 1.00 0.00 C ATOM 680 C SER A 41 -12.101 -8.962 -5.724 1.00 0.00 C ATOM 681 O SER A 41 -12.865 -9.851 -6.044 1.00 0.00 O ATOM 682 CB SER A 41 -13.934 -7.381 -5.123 1.00 0.00 C ATOM 683 OG SER A 41 -14.890 -8.336 -4.676 1.00 0.00 O ATOM 0 H SER A 41 -11.119 -6.462 -3.967 1.00 0.00 H new ATOM 0 HA SER A 41 -12.532 -8.249 -3.737 1.00 0.00 H new ATOM 0 HB2 SER A 41 -14.132 -6.411 -4.667 1.00 0.00 H new ATOM 0 HB3 SER A 41 -14.014 -7.248 -6.202 1.00 0.00 H new ATOM 0 HG SER A 41 -14.616 -9.232 -4.964 1.00 0.00 H new ATOM 689 N HIS A 42 -10.884 -8.914 -6.196 1.00 0.00 N ATOM 690 CA HIS A 42 -10.415 -9.965 -7.142 1.00 0.00 C ATOM 691 C HIS A 42 -9.886 -11.162 -6.350 1.00 0.00 C ATOM 692 O HIS A 42 -10.391 -12.263 -6.460 1.00 0.00 O ATOM 693 CB HIS A 42 -9.303 -9.399 -8.029 1.00 0.00 C ATOM 694 CG HIS A 42 -9.846 -9.147 -9.409 1.00 0.00 C ATOM 695 ND1 HIS A 42 -10.646 -8.052 -9.702 1.00 0.00 N ATOM 696 CD2 HIS A 42 -9.716 -9.842 -10.586 1.00 0.00 C ATOM 697 CE1 HIS A 42 -10.964 -8.121 -11.006 1.00 0.00 C ATOM 698 NE2 HIS A 42 -10.423 -9.193 -11.594 1.00 0.00 N ATOM 0 H HIS A 42 -10.197 -8.195 -5.968 1.00 0.00 H new ATOM 0 HA HIS A 42 -11.246 -10.286 -7.771 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -8.918 -8.473 -7.603 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -8.469 -10.099 -8.076 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -9.151 -10.754 -10.711 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -11.582 -7.398 -11.517 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -10.510 -9.474 -12.571 1.00 0.00 H new ATOM 706 N PHE A 43 -8.878 -10.958 -5.547 1.00 0.00 N ATOM 707 CA PHE A 43 -8.332 -12.087 -4.745 1.00 0.00 C ATOM 708 C PHE A 43 -9.426 -12.596 -3.793 1.00 0.00 C ATOM 709 O PHE A 43 -10.391 -13.198 -4.221 1.00 0.00 O ATOM 710 CB PHE A 43 -7.115 -11.604 -3.950 1.00 0.00 C ATOM 711 CG PHE A 43 -6.070 -11.061 -4.896 1.00 0.00 C ATOM 712 CD1 PHE A 43 -5.690 -11.802 -6.021 1.00 0.00 C ATOM 713 CD2 PHE A 43 -5.481 -9.815 -4.647 1.00 0.00 C ATOM 714 CE1 PHE A 43 -4.721 -11.297 -6.898 1.00 0.00 C ATOM 715 CE2 PHE A 43 -4.513 -9.310 -5.524 1.00 0.00 C ATOM 716 CZ PHE A 43 -4.132 -10.051 -6.648 1.00 0.00 C ATOM 0 H PHE A 43 -8.411 -10.061 -5.412 1.00 0.00 H new ATOM 0 HA PHE A 43 -8.021 -12.900 -5.401 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -7.415 -10.831 -3.242 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.700 -12.426 -3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.144 -12.763 -6.213 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.773 -9.244 -3.778 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.428 -11.868 -7.767 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.060 -8.348 -5.333 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.384 -9.662 -7.323 1.00 0.00 H new ATOM 726 N LEU A 44 -9.296 -12.352 -2.513 1.00 0.00 N ATOM 727 CA LEU A 44 -10.335 -12.815 -1.546 1.00 0.00 C ATOM 728 C LEU A 44 -10.827 -14.214 -1.931 1.00 0.00 C ATOM 729 O LEU A 44 -11.744 -14.368 -2.712 1.00 0.00 O ATOM 730 CB LEU A 44 -11.513 -11.839 -1.561 1.00 0.00 C ATOM 731 CG LEU A 44 -11.880 -11.461 -0.125 1.00 0.00 C ATOM 732 CD1 LEU A 44 -11.361 -10.054 0.183 1.00 0.00 C ATOM 733 CD2 LEU A 44 -13.401 -11.488 0.037 1.00 0.00 C ATOM 0 H LEU A 44 -8.512 -11.850 -2.096 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.901 -12.853 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.252 -10.946 -2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.369 -12.294 -2.059 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.427 -12.174 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.623 -9.785 1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.277 -10.033 0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.813 -9.341 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.663 -11.219 1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.853 -10.775 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.772 -12.489 -0.181 1.00 0.00 H new ATOM 745 N GLU A 45 -10.230 -15.233 -1.379 1.00 0.00 N ATOM 746 CA GLU A 45 -10.668 -16.619 -1.703 1.00 0.00 C ATOM 747 C GLU A 45 -11.260 -17.258 -0.447 1.00 0.00 C ATOM 748 O GLU A 45 -12.462 -17.310 -0.270 1.00 0.00 O ATOM 749 CB GLU A 45 -9.466 -17.438 -2.182 1.00 0.00 C ATOM 750 CG GLU A 45 -8.875 -16.791 -3.436 1.00 0.00 C ATOM 751 CD GLU A 45 -8.952 -17.779 -4.601 1.00 0.00 C ATOM 752 OE1 GLU A 45 -8.021 -18.550 -4.760 1.00 0.00 O ATOM 753 OE2 GLU A 45 -9.939 -17.746 -5.316 1.00 0.00 O ATOM 0 H GLU A 45 -9.457 -15.166 -0.717 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.419 -16.595 -2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.712 -17.490 -1.397 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.773 -18.461 -2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.421 -15.880 -3.681 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.839 -16.503 -3.257 1.00 0.00 H new ATOM 760 N GLU A 46 -10.426 -17.731 0.430 1.00 0.00 N ATOM 761 CA GLU A 46 -10.924 -18.351 1.678 1.00 0.00 C ATOM 762 C GLU A 46 -10.572 -17.417 2.845 1.00 0.00 C ATOM 763 O GLU A 46 -11.133 -17.505 3.919 1.00 0.00 O ATOM 764 CB GLU A 46 -10.256 -19.725 1.840 1.00 0.00 C ATOM 765 CG GLU A 46 -10.081 -20.066 3.318 1.00 0.00 C ATOM 766 CD GLU A 46 -10.219 -21.577 3.515 1.00 0.00 C ATOM 767 OE1 GLU A 46 -9.673 -22.312 2.708 1.00 0.00 O ATOM 768 OE2 GLU A 46 -10.868 -21.973 4.469 1.00 0.00 O ATOM 0 H GLU A 46 -9.411 -17.713 0.332 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.004 -18.494 1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.862 -20.490 1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.285 -19.724 1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.104 -19.731 3.666 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.828 -19.541 3.914 1.00 0.00 H new ATOM 775 N ILE A 47 -9.650 -16.516 2.627 1.00 0.00 N ATOM 776 CA ILE A 47 -9.254 -15.561 3.701 1.00 0.00 C ATOM 777 C ILE A 47 -8.399 -16.279 4.745 1.00 0.00 C ATOM 778 O ILE A 47 -8.903 -16.961 5.615 1.00 0.00 O ATOM 779 CB ILE A 47 -10.504 -14.986 4.374 1.00 0.00 C ATOM 780 CG1 ILE A 47 -11.514 -14.562 3.303 1.00 0.00 C ATOM 781 CG2 ILE A 47 -10.114 -13.766 5.209 1.00 0.00 C ATOM 782 CD1 ILE A 47 -12.884 -14.345 3.950 1.00 0.00 C ATOM 0 H ILE A 47 -9.152 -16.401 1.744 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.677 -14.750 3.257 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.951 -15.745 5.017 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.181 -13.645 2.816 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.582 -15.327 2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.002 -13.355 5.689 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.393 -14.062 5.971 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.668 -13.010 4.563 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.603 -14.043 3.188 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -13.217 -15.272 4.416 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.809 -13.565 4.707 1.00 0.00 H new ATOM 794 N LYS A 48 -7.104 -16.120 4.671 1.00 0.00 N ATOM 795 CA LYS A 48 -6.214 -16.782 5.666 1.00 0.00 C ATOM 796 C LYS A 48 -6.026 -15.845 6.859 1.00 0.00 C ATOM 797 O LYS A 48 -6.102 -16.255 8.001 1.00 0.00 O ATOM 798 CB LYS A 48 -4.855 -17.072 5.026 1.00 0.00 C ATOM 799 CG LYS A 48 -3.880 -17.568 6.094 1.00 0.00 C ATOM 800 CD LYS A 48 -2.722 -18.307 5.422 1.00 0.00 C ATOM 801 CE LYS A 48 -2.541 -19.678 6.076 1.00 0.00 C ATOM 802 NZ LYS A 48 -3.693 -20.555 5.721 1.00 0.00 N ATOM 0 H LYS A 48 -6.626 -15.561 3.965 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.661 -17.720 5.996 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.964 -17.822 4.242 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.465 -16.171 4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.501 -16.727 6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.393 -18.231 6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.921 -18.424 4.357 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.805 -17.725 5.513 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.608 -20.132 5.741 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.473 -19.570 7.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.417 -21.552 5.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.495 -20.347 6.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.972 -20.379 4.735 1.00 0.00 H new ATOM 816 N GLU A 49 -5.792 -14.586 6.601 1.00 0.00 N ATOM 817 CA GLU A 49 -5.613 -13.617 7.717 1.00 0.00 C ATOM 818 C GLU A 49 -6.990 -13.151 8.191 1.00 0.00 C ATOM 819 O GLU A 49 -7.374 -12.016 7.992 1.00 0.00 O ATOM 820 CB GLU A 49 -4.802 -12.410 7.232 1.00 0.00 C ATOM 821 CG GLU A 49 -3.326 -12.608 7.584 1.00 0.00 C ATOM 822 CD GLU A 49 -3.131 -12.412 9.089 1.00 0.00 C ATOM 823 OE1 GLU A 49 -4.071 -11.979 9.737 1.00 0.00 O ATOM 824 OE2 GLU A 49 -2.045 -12.698 9.567 1.00 0.00 O ATOM 0 H GLU A 49 -5.717 -14.188 5.665 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.079 -14.096 8.538 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.917 -12.291 6.155 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.177 -11.497 7.695 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.002 -13.607 7.291 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.711 -11.898 7.031 1.00 0.00 H new ATOM 831 N GLN A 50 -7.741 -14.021 8.810 1.00 0.00 N ATOM 832 CA GLN A 50 -9.096 -13.631 9.290 1.00 0.00 C ATOM 833 C GLN A 50 -8.998 -12.343 10.108 1.00 0.00 C ATOM 834 O GLN A 50 -9.955 -11.610 10.243 1.00 0.00 O ATOM 835 CB GLN A 50 -9.666 -14.749 10.168 1.00 0.00 C ATOM 836 CG GLN A 50 -11.193 -14.652 10.197 1.00 0.00 C ATOM 837 CD GLN A 50 -11.800 -16.030 9.923 1.00 0.00 C ATOM 838 OE1 GLN A 50 -12.549 -16.201 8.982 1.00 0.00 O ATOM 839 NE2 GLN A 50 -11.507 -17.027 10.712 1.00 0.00 N ATOM 0 H GLN A 50 -7.474 -14.986 9.004 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.751 -13.468 8.434 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.361 -15.721 9.780 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.267 -14.670 11.179 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.526 -14.283 11.167 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.536 -13.937 9.449 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -10.878 -16.884 11.502 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -11.907 -17.949 10.538 1.00 0.00 H new ATOM 848 N GLU A 51 -7.849 -12.061 10.659 1.00 0.00 N ATOM 849 CA GLU A 51 -7.699 -10.822 11.474 1.00 0.00 C ATOM 850 C GLU A 51 -7.499 -9.612 10.560 1.00 0.00 C ATOM 851 O GLU A 51 -7.972 -8.530 10.841 1.00 0.00 O ATOM 852 CB GLU A 51 -6.488 -10.964 12.397 1.00 0.00 C ATOM 853 CG GLU A 51 -6.910 -10.680 13.840 1.00 0.00 C ATOM 854 CD GLU A 51 -5.671 -10.644 14.734 1.00 0.00 C ATOM 855 OE1 GLU A 51 -5.085 -9.580 14.858 1.00 0.00 O ATOM 856 OE2 GLU A 51 -5.328 -11.680 15.280 1.00 0.00 O ATOM 0 H GLU A 51 -7.009 -12.634 10.580 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.601 -10.676 12.068 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.074 -11.969 12.319 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.703 -10.272 12.093 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.439 -9.729 13.895 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.600 -11.449 14.187 1.00 0.00 H new ATOM 863 N VAL A 52 -6.799 -9.778 9.473 1.00 0.00 N ATOM 864 CA VAL A 52 -6.572 -8.624 8.558 1.00 0.00 C ATOM 865 C VAL A 52 -7.869 -8.283 7.826 1.00 0.00 C ATOM 866 O VAL A 52 -8.214 -7.129 7.667 1.00 0.00 O ATOM 867 CB VAL A 52 -5.489 -8.986 7.539 1.00 0.00 C ATOM 868 CG1 VAL A 52 -5.149 -7.760 6.694 1.00 0.00 C ATOM 869 CG2 VAL A 52 -4.235 -9.453 8.276 1.00 0.00 C ATOM 0 H VAL A 52 -6.376 -10.658 9.179 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.250 -7.760 9.140 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.854 -9.784 6.892 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.378 -8.020 5.969 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.042 -7.422 6.168 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.785 -6.962 7.341 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.462 -9.711 7.552 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.874 -8.653 8.922 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.473 -10.328 8.880 1.00 0.00 H new ATOM 879 N VAL A 53 -8.590 -9.271 7.375 1.00 0.00 N ATOM 880 CA VAL A 53 -9.859 -8.985 6.653 1.00 0.00 C ATOM 881 C VAL A 53 -10.960 -8.658 7.660 1.00 0.00 C ATOM 882 O VAL A 53 -11.826 -7.846 7.401 1.00 0.00 O ATOM 883 CB VAL A 53 -10.267 -10.205 5.825 1.00 0.00 C ATOM 884 CG1 VAL A 53 -11.632 -9.952 5.184 1.00 0.00 C ATOM 885 CG2 VAL A 53 -9.228 -10.450 4.728 1.00 0.00 C ATOM 0 H VAL A 53 -8.357 -10.259 7.475 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.711 -8.133 5.990 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.325 -11.080 6.473 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.923 -10.821 4.594 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.373 -9.778 5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.573 -9.077 4.537 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.519 -11.319 4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.170 -9.575 4.080 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.254 -10.630 5.183 1.00 0.00 H new ATOM 895 N ASP A 54 -10.936 -9.271 8.810 1.00 0.00 N ATOM 896 CA ASP A 54 -11.987 -8.968 9.818 1.00 0.00 C ATOM 897 C ASP A 54 -11.639 -7.653 10.506 1.00 0.00 C ATOM 898 O ASP A 54 -12.484 -7.003 11.082 1.00 0.00 O ATOM 899 CB ASP A 54 -12.057 -10.086 10.862 1.00 0.00 C ATOM 900 CG ASP A 54 -12.511 -11.386 10.195 1.00 0.00 C ATOM 901 OD1 ASP A 54 -12.741 -11.364 8.997 1.00 0.00 O ATOM 902 OD2 ASP A 54 -12.624 -12.379 10.893 1.00 0.00 O ATOM 0 H ASP A 54 -10.241 -9.962 9.093 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.955 -8.891 9.322 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.080 -10.226 11.326 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.751 -9.812 11.657 1.00 0.00 H new ATOM 907 N LYS A 55 -10.397 -7.255 10.451 1.00 0.00 N ATOM 908 CA LYS A 55 -9.998 -5.983 11.103 1.00 0.00 C ATOM 909 C LYS A 55 -10.360 -4.805 10.202 1.00 0.00 C ATOM 910 O LYS A 55 -10.946 -3.834 10.642 1.00 0.00 O ATOM 911 CB LYS A 55 -8.489 -5.987 11.354 1.00 0.00 C ATOM 912 CG LYS A 55 -8.081 -4.669 12.011 1.00 0.00 C ATOM 913 CD LYS A 55 -9.015 -4.381 13.187 1.00 0.00 C ATOM 914 CE LYS A 55 -8.412 -3.280 14.060 1.00 0.00 C ATOM 915 NZ LYS A 55 -8.569 -1.963 13.381 1.00 0.00 N ATOM 0 H LYS A 55 -9.644 -7.758 9.982 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.525 -5.886 12.052 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.218 -6.825 11.996 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.953 -6.119 10.414 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.049 -4.726 12.357 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.130 -3.857 11.285 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.994 -4.074 12.820 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.165 -5.286 13.776 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.906 -3.261 15.032 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.357 -3.483 14.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.448 -1.198 14.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.851 -1.870 12.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.517 -1.901 12.959 1.00 0.00 H new ATOM 929 N VAL A 56 -10.018 -4.871 8.945 1.00 0.00 N ATOM 930 CA VAL A 56 -10.348 -3.743 8.040 1.00 0.00 C ATOM 931 C VAL A 56 -11.840 -3.772 7.717 1.00 0.00 C ATOM 932 O VAL A 56 -12.487 -2.748 7.627 1.00 0.00 O ATOM 933 CB VAL A 56 -9.531 -3.863 6.752 1.00 0.00 C ATOM 934 CG1 VAL A 56 -8.078 -3.473 7.033 1.00 0.00 C ATOM 935 CG2 VAL A 56 -9.579 -5.303 6.231 1.00 0.00 C ATOM 0 H VAL A 56 -9.528 -5.653 8.511 1.00 0.00 H new ATOM 0 HA VAL A 56 -10.105 -2.799 8.528 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.953 -3.197 5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.495 -3.558 6.116 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.040 -2.445 7.393 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.663 -4.138 7.790 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.994 -5.378 5.314 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.164 -5.976 6.982 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.613 -5.582 6.026 1.00 0.00 H new ATOM 945 N MET A 57 -12.389 -4.938 7.551 1.00 0.00 N ATOM 946 CA MET A 57 -13.840 -5.044 7.244 1.00 0.00 C ATOM 947 C MET A 57 -14.647 -4.720 8.501 1.00 0.00 C ATOM 948 O MET A 57 -15.793 -4.334 8.427 1.00 0.00 O ATOM 949 CB MET A 57 -14.153 -6.469 6.792 1.00 0.00 C ATOM 950 CG MET A 57 -15.589 -6.548 6.262 1.00 0.00 C ATOM 951 SD MET A 57 -15.835 -5.309 4.962 1.00 0.00 S ATOM 952 CE MET A 57 -14.847 -6.115 3.673 1.00 0.00 C ATOM 0 H MET A 57 -11.894 -5.827 7.615 1.00 0.00 H new ATOM 0 HA MET A 57 -14.102 -4.342 6.452 1.00 0.00 H new ATOM 0 HB2 MET A 57 -13.453 -6.775 6.015 1.00 0.00 H new ATOM 0 HB3 MET A 57 -14.026 -7.160 7.626 1.00 0.00 H new ATOM 0 HG2 MET A 57 -15.786 -7.545 5.868 1.00 0.00 H new ATOM 0 HG3 MET A 57 -16.296 -6.380 7.075 1.00 0.00 H new ATOM 0 HE1 MET A 57 -15.111 -5.701 2.700 1.00 0.00 H new ATOM 0 HE2 MET A 57 -13.788 -5.943 3.865 1.00 0.00 H new ATOM 0 HE3 MET A 57 -15.047 -7.186 3.678 1.00 0.00 H new ATOM 962 N GLU A 58 -14.062 -4.869 9.660 1.00 0.00 N ATOM 963 CA GLU A 58 -14.819 -4.549 10.907 1.00 0.00 C ATOM 964 C GLU A 58 -14.852 -3.033 11.090 1.00 0.00 C ATOM 965 O GLU A 58 -15.889 -2.455 11.341 1.00 0.00 O ATOM 966 CB GLU A 58 -14.146 -5.192 12.119 1.00 0.00 C ATOM 967 CG GLU A 58 -14.697 -6.607 12.317 1.00 0.00 C ATOM 968 CD GLU A 58 -13.964 -7.285 13.475 1.00 0.00 C ATOM 969 OE1 GLU A 58 -13.866 -6.674 14.525 1.00 0.00 O ATOM 970 OE2 GLU A 58 -13.514 -8.404 13.290 1.00 0.00 O ATOM 0 H GLU A 58 -13.105 -5.194 9.798 1.00 0.00 H new ATOM 0 HA GLU A 58 -15.833 -4.941 10.822 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -13.066 -5.228 11.973 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -14.327 -4.591 13.010 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -15.766 -6.566 12.524 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.571 -7.188 11.404 1.00 0.00 H new ATOM 977 N THR A 59 -13.730 -2.376 10.947 1.00 0.00 N ATOM 978 CA THR A 59 -13.724 -0.894 11.092 1.00 0.00 C ATOM 979 C THR A 59 -14.532 -0.307 9.937 1.00 0.00 C ATOM 980 O THR A 59 -15.023 0.803 9.998 1.00 0.00 O ATOM 981 CB THR A 59 -12.286 -0.370 11.036 1.00 0.00 C ATOM 982 OG1 THR A 59 -11.442 -1.225 11.793 1.00 0.00 O ATOM 983 CG2 THR A 59 -12.233 1.046 11.613 1.00 0.00 C ATOM 0 H THR A 59 -12.826 -2.799 10.738 1.00 0.00 H new ATOM 0 HA THR A 59 -14.160 -0.605 12.048 1.00 0.00 H new ATOM 0 HB THR A 59 -11.947 -0.349 10.000 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.207 -2.011 11.257 1.00 0.00 H new ATOM 0 HG21 THR A 59 -11.209 1.417 11.572 1.00 0.00 H new ATOM 0 HG22 THR A 59 -12.880 1.701 11.030 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.572 1.030 12.649 1.00 0.00 H new ATOM 991 N LEU A 60 -14.677 -1.067 8.886 1.00 0.00 N ATOM 992 CA LEU A 60 -15.455 -0.599 7.710 1.00 0.00 C ATOM 993 C LEU A 60 -16.949 -0.655 8.044 1.00 0.00 C ATOM 994 O LEU A 60 -17.649 0.340 8.007 1.00 0.00 O ATOM 995 CB LEU A 60 -15.154 -1.531 6.531 1.00 0.00 C ATOM 996 CG LEU A 60 -13.955 -0.995 5.749 1.00 0.00 C ATOM 997 CD1 LEU A 60 -13.622 -1.954 4.604 1.00 0.00 C ATOM 998 CD2 LEU A 60 -14.290 0.384 5.177 1.00 0.00 C ATOM 0 H LEU A 60 -14.284 -2.004 8.794 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.183 0.425 7.454 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -14.944 -2.537 6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.024 -1.602 5.879 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.097 -0.912 6.416 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.767 -1.572 4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.380 -2.936 5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.481 -2.038 3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.434 0.765 4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.149 0.303 4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.526 1.068 5.992 1.00 0.00 H new ATOM 1010 N ASP A 61 -17.434 -1.818 8.378 1.00 0.00 N ATOM 1011 CA ASP A 61 -18.874 -1.970 8.723 1.00 0.00 C ATOM 1012 C ASP A 61 -19.119 -1.444 10.139 1.00 0.00 C ATOM 1013 O ASP A 61 -20.241 -1.390 10.606 1.00 0.00 O ATOM 1014 CB ASP A 61 -19.245 -3.454 8.667 1.00 0.00 C ATOM 1015 CG ASP A 61 -20.392 -3.658 7.676 1.00 0.00 C ATOM 1016 OD1 ASP A 61 -21.494 -3.227 7.978 1.00 0.00 O ATOM 1017 OD2 ASP A 61 -20.149 -4.240 6.631 1.00 0.00 O ATOM 0 H ASP A 61 -16.888 -2.678 8.427 1.00 0.00 H new ATOM 0 HA ASP A 61 -19.482 -1.406 8.016 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -18.380 -4.044 8.365 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -19.539 -3.803 9.657 1.00 0.00 H new ATOM 1022 N GLU A 62 -18.081 -1.060 10.828 1.00 0.00 N ATOM 1023 CA GLU A 62 -18.258 -0.545 12.214 1.00 0.00 C ATOM 1024 C GLU A 62 -18.705 0.914 12.165 1.00 0.00 C ATOM 1025 O GLU A 62 -19.708 1.287 12.743 1.00 0.00 O ATOM 1026 CB GLU A 62 -16.933 -0.646 12.971 1.00 0.00 C ATOM 1027 CG GLU A 62 -17.054 0.095 14.305 1.00 0.00 C ATOM 1028 CD GLU A 62 -15.776 -0.107 15.121 1.00 0.00 C ATOM 1029 OE1 GLU A 62 -15.100 -1.098 14.892 1.00 0.00 O ATOM 1030 OE2 GLU A 62 -15.495 0.732 15.961 1.00 0.00 O ATOM 0 H GLU A 62 -17.118 -1.080 10.491 1.00 0.00 H new ATOM 0 HA GLU A 62 -19.015 -1.139 12.725 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.679 -1.692 13.145 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.127 -0.217 12.375 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.221 1.158 14.129 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.915 -0.275 14.861 1.00 0.00 H new ATOM 1037 N ASP A 63 -17.965 1.742 11.487 1.00 0.00 N ATOM 1038 CA ASP A 63 -18.340 3.181 11.407 1.00 0.00 C ATOM 1039 C ASP A 63 -18.375 3.631 9.946 1.00 0.00 C ATOM 1040 O ASP A 63 -17.829 4.659 9.598 1.00 0.00 O ATOM 1041 CB ASP A 63 -17.308 4.016 12.167 1.00 0.00 C ATOM 1042 CG ASP A 63 -18.025 5.034 13.056 1.00 0.00 C ATOM 1043 OD1 ASP A 63 -19.054 5.538 12.636 1.00 0.00 O ATOM 1044 OD2 ASP A 63 -17.533 5.294 14.141 1.00 0.00 O ATOM 0 H ASP A 63 -17.116 1.486 10.984 1.00 0.00 H new ATOM 0 HA ASP A 63 -19.327 3.319 11.849 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -16.677 3.368 12.775 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -16.652 4.530 11.464 1.00 0.00 H new ATOM 1049 N GLY A 64 -19.012 2.873 9.089 1.00 0.00 N ATOM 1050 CA GLY A 64 -19.085 3.263 7.651 1.00 0.00 C ATOM 1051 C GLY A 64 -19.288 4.776 7.540 1.00 0.00 C ATOM 1052 O GLY A 64 -18.866 5.403 6.588 1.00 0.00 O ATOM 0 H GLY A 64 -19.485 2.000 9.325 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -18.169 2.970 7.137 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -19.906 2.739 7.163 1.00 0.00 H new ATOM 1056 N ASP A 65 -19.925 5.368 8.515 1.00 0.00 N ATOM 1057 CA ASP A 65 -20.149 6.841 8.476 1.00 0.00 C ATOM 1058 C ASP A 65 -19.012 7.549 9.217 1.00 0.00 C ATOM 1059 O ASP A 65 -19.232 8.479 9.968 1.00 0.00 O ATOM 1060 CB ASP A 65 -21.481 7.170 9.156 1.00 0.00 C ATOM 1061 CG ASP A 65 -21.787 8.660 8.985 1.00 0.00 C ATOM 1062 OD1 ASP A 65 -21.637 9.151 7.878 1.00 0.00 O ATOM 1063 OD2 ASP A 65 -22.166 9.284 9.963 1.00 0.00 O ATOM 0 H ASP A 65 -20.300 4.894 9.337 1.00 0.00 H new ATOM 0 HA ASP A 65 -20.174 7.179 7.440 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -22.281 6.571 8.721 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -21.433 6.917 10.215 1.00 0.00 H new ATOM 1068 N GLY A 66 -17.796 7.117 9.012 1.00 0.00 N ATOM 1069 CA GLY A 66 -16.646 7.763 9.702 1.00 0.00 C ATOM 1070 C GLY A 66 -15.670 8.317 8.660 1.00 0.00 C ATOM 1071 O GLY A 66 -15.845 8.128 7.474 1.00 0.00 O ATOM 0 H GLY A 66 -17.551 6.343 8.395 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.000 8.567 10.347 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.140 7.040 10.342 1.00 0.00 H new ATOM 1075 N GLU A 67 -14.644 9.003 9.089 1.00 0.00 N ATOM 1076 CA GLU A 67 -13.668 9.570 8.112 1.00 0.00 C ATOM 1077 C GLU A 67 -12.297 8.915 8.296 1.00 0.00 C ATOM 1078 O GLU A 67 -11.948 8.468 9.370 1.00 0.00 O ATOM 1079 CB GLU A 67 -13.540 11.078 8.335 1.00 0.00 C ATOM 1080 CG GLU A 67 -13.350 11.361 9.825 1.00 0.00 C ATOM 1081 CD GLU A 67 -12.445 12.582 10.001 1.00 0.00 C ATOM 1082 OE1 GLU A 67 -12.424 13.413 9.107 1.00 0.00 O ATOM 1083 OE2 GLU A 67 -11.789 12.667 11.026 1.00 0.00 O ATOM 0 H GLU A 67 -14.440 9.195 10.070 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.026 9.374 7.101 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.694 11.469 7.769 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.431 11.587 7.968 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.316 11.539 10.298 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.909 10.494 10.317 1.00 0.00 H new ATOM 1090 N CYS A 68 -11.515 8.866 7.250 1.00 0.00 N ATOM 1091 CA CYS A 68 -10.160 8.251 7.348 1.00 0.00 C ATOM 1092 C CYS A 68 -9.130 9.201 6.736 1.00 0.00 C ATOM 1093 O CYS A 68 -9.434 10.330 6.402 1.00 0.00 O ATOM 1094 CB CYS A 68 -10.143 6.923 6.589 1.00 0.00 C ATOM 1095 SG CYS A 68 -9.503 5.619 7.667 1.00 0.00 S ATOM 0 H CYS A 68 -11.758 9.228 6.328 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.916 8.071 8.395 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.149 6.671 6.254 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -9.522 7.010 5.697 1.00 0.00 H new ATOM 0 HG CYS A 68 -8.702 6.139 8.549 1.00 0.00 H new ATOM 1101 N ASP A 69 -7.914 8.755 6.581 1.00 0.00 N ATOM 1102 CA ASP A 69 -6.871 9.638 5.986 1.00 0.00 C ATOM 1103 C ASP A 69 -6.292 8.969 4.739 1.00 0.00 C ATOM 1104 O ASP A 69 -6.615 7.842 4.424 1.00 0.00 O ATOM 1105 CB ASP A 69 -5.754 9.870 7.004 1.00 0.00 C ATOM 1106 CG ASP A 69 -6.305 10.658 8.194 1.00 0.00 C ATOM 1107 OD1 ASP A 69 -6.481 11.858 8.055 1.00 0.00 O ATOM 1108 OD2 ASP A 69 -6.544 10.048 9.223 1.00 0.00 O ATOM 0 H ASP A 69 -7.598 7.820 6.840 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.317 10.595 5.714 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.351 8.915 7.342 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.933 10.417 6.541 1.00 0.00 H new ATOM 1113 N PHE A 70 -5.440 9.652 4.029 1.00 0.00 N ATOM 1114 CA PHE A 70 -4.845 9.044 2.805 1.00 0.00 C ATOM 1115 C PHE A 70 -3.844 7.963 3.214 1.00 0.00 C ATOM 1116 O PHE A 70 -3.668 6.974 2.530 1.00 0.00 O ATOM 1117 CB PHE A 70 -4.133 10.123 1.982 1.00 0.00 C ATOM 1118 CG PHE A 70 -3.397 11.070 2.900 1.00 0.00 C ATOM 1119 CD1 PHE A 70 -2.122 10.738 3.373 1.00 0.00 C ATOM 1120 CD2 PHE A 70 -3.988 12.284 3.275 1.00 0.00 C ATOM 1121 CE1 PHE A 70 -1.440 11.618 4.222 1.00 0.00 C ATOM 1122 CE2 PHE A 70 -3.306 13.164 4.124 1.00 0.00 C ATOM 1123 CZ PHE A 70 -2.031 12.830 4.597 1.00 0.00 C ATOM 0 H PHE A 70 -5.130 10.600 4.241 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.635 8.600 2.200 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.433 9.659 1.287 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.859 10.674 1.384 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.665 9.804 3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.971 12.541 2.909 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.457 11.361 4.588 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.763 14.099 4.414 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.503 13.508 5.252 1.00 0.00 H new ATOM 1133 N GLN A 71 -3.189 8.138 4.330 1.00 0.00 N ATOM 1134 CA GLN A 71 -2.205 7.116 4.780 1.00 0.00 C ATOM 1135 C GLN A 71 -2.954 5.954 5.442 1.00 0.00 C ATOM 1136 O GLN A 71 -2.517 4.821 5.404 1.00 0.00 O ATOM 1137 CB GLN A 71 -1.220 7.754 5.772 1.00 0.00 C ATOM 1138 CG GLN A 71 -1.802 7.737 7.191 1.00 0.00 C ATOM 1139 CD GLN A 71 -1.300 6.495 7.931 1.00 0.00 C ATOM 1140 OE1 GLN A 71 -2.065 5.813 8.586 1.00 0.00 O ATOM 1141 NE2 GLN A 71 -0.037 6.168 7.854 1.00 0.00 N ATOM 0 H GLN A 71 -3.293 8.943 4.947 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.644 6.737 3.926 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.274 7.213 5.754 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.006 8.780 5.472 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.506 8.638 7.728 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.891 7.734 7.149 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.605 6.739 7.305 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.307 5.341 8.343 1.00 0.00 H new ATOM 1150 N GLU A 72 -4.082 6.226 6.042 1.00 0.00 N ATOM 1151 CA GLU A 72 -4.861 5.135 6.694 1.00 0.00 C ATOM 1152 C GLU A 72 -5.489 4.265 5.606 1.00 0.00 C ATOM 1153 O GLU A 72 -5.241 3.078 5.523 1.00 0.00 O ATOM 1154 CB GLU A 72 -5.960 5.748 7.568 1.00 0.00 C ATOM 1155 CG GLU A 72 -5.459 5.867 9.008 1.00 0.00 C ATOM 1156 CD GLU A 72 -6.383 5.075 9.937 1.00 0.00 C ATOM 1157 OE1 GLU A 72 -7.345 5.653 10.418 1.00 0.00 O ATOM 1158 OE2 GLU A 72 -6.112 3.906 10.152 1.00 0.00 O ATOM 0 H GLU A 72 -4.497 7.155 6.109 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.207 4.527 7.319 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.238 6.730 7.186 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.856 5.128 7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.440 5.488 9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.433 6.914 9.310 1.00 0.00 H new ATOM 1165 N PHE A 73 -6.288 4.852 4.760 1.00 0.00 N ATOM 1166 CA PHE A 73 -6.919 4.070 3.664 1.00 0.00 C ATOM 1167 C PHE A 73 -5.803 3.423 2.833 1.00 0.00 C ATOM 1168 O PHE A 73 -5.998 2.414 2.185 1.00 0.00 O ATOM 1169 CB PHE A 73 -7.781 5.025 2.803 1.00 0.00 C ATOM 1170 CG PHE A 73 -7.402 4.942 1.338 1.00 0.00 C ATOM 1171 CD1 PHE A 73 -6.263 5.611 0.870 1.00 0.00 C ATOM 1172 CD2 PHE A 73 -8.187 4.193 0.452 1.00 0.00 C ATOM 1173 CE1 PHE A 73 -5.910 5.532 -0.483 1.00 0.00 C ATOM 1174 CE2 PHE A 73 -7.833 4.115 -0.902 1.00 0.00 C ATOM 1175 CZ PHE A 73 -6.694 4.784 -1.368 1.00 0.00 C ATOM 0 H PHE A 73 -6.531 5.842 4.781 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.566 3.285 4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.835 4.774 2.923 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.655 6.049 3.156 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.657 6.188 1.553 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -9.064 3.676 0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.033 6.049 -0.843 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.439 3.539 -1.586 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.421 4.722 -2.411 1.00 0.00 H new ATOM 1185 N MET A 74 -4.638 4.008 2.852 1.00 0.00 N ATOM 1186 CA MET A 74 -3.501 3.450 2.072 1.00 0.00 C ATOM 1187 C MET A 74 -3.053 2.128 2.696 1.00 0.00 C ATOM 1188 O MET A 74 -2.991 1.108 2.038 1.00 0.00 O ATOM 1189 CB MET A 74 -2.340 4.448 2.099 1.00 0.00 C ATOM 1190 CG MET A 74 -2.357 5.293 0.826 1.00 0.00 C ATOM 1191 SD MET A 74 -0.975 4.806 -0.236 1.00 0.00 S ATOM 1192 CE MET A 74 -1.929 3.797 -1.395 1.00 0.00 C ATOM 0 H MET A 74 -4.424 4.855 3.379 1.00 0.00 H new ATOM 0 HA MET A 74 -3.812 3.274 1.042 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.421 5.091 2.975 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.392 3.916 2.181 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.301 5.157 0.298 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.282 6.351 1.077 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.258 3.358 -2.133 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.440 3.003 -0.851 1.00 0.00 H new ATOM 0 HE3 MET A 74 -2.665 4.422 -1.901 1.00 0.00 H new ATOM 1202 N ALA A 75 -2.742 2.138 3.961 1.00 0.00 N ATOM 1203 CA ALA A 75 -2.302 0.883 4.626 1.00 0.00 C ATOM 1204 C ALA A 75 -3.491 -0.075 4.724 1.00 0.00 C ATOM 1205 O ALA A 75 -3.335 -1.258 4.953 1.00 0.00 O ATOM 1206 CB ALA A 75 -1.783 1.208 6.027 1.00 0.00 C ATOM 0 H ALA A 75 -2.774 2.961 4.563 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.505 0.416 4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.460 0.290 6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.941 1.896 5.952 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.578 1.671 6.611 1.00 0.00 H new ATOM 1212 N PHE A 76 -4.680 0.432 4.545 1.00 0.00 N ATOM 1213 CA PHE A 76 -5.886 -0.438 4.620 1.00 0.00 C ATOM 1214 C PHE A 76 -6.046 -1.192 3.299 1.00 0.00 C ATOM 1215 O PHE A 76 -6.432 -2.343 3.270 1.00 0.00 O ATOM 1216 CB PHE A 76 -7.123 0.433 4.855 1.00 0.00 C ATOM 1217 CG PHE A 76 -7.566 0.324 6.296 1.00 0.00 C ATOM 1218 CD1 PHE A 76 -6.811 0.925 7.309 1.00 0.00 C ATOM 1219 CD2 PHE A 76 -8.739 -0.370 6.616 1.00 0.00 C ATOM 1220 CE1 PHE A 76 -7.229 0.830 8.644 1.00 0.00 C ATOM 1221 CE2 PHE A 76 -9.157 -0.467 7.948 1.00 0.00 C ATOM 1222 CZ PHE A 76 -8.402 0.134 8.962 1.00 0.00 C ATOM 0 H PHE A 76 -4.868 1.415 4.349 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.776 -1.149 5.439 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.898 1.472 4.613 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -7.930 0.119 4.193 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.907 1.462 7.063 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.323 -0.832 5.833 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.647 1.293 9.427 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.061 -1.005 8.193 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.724 0.061 9.990 1.00 0.00 H new ATOM 1232 N VAL A 77 -5.754 -0.544 2.204 1.00 0.00 N ATOM 1233 CA VAL A 77 -5.891 -1.210 0.878 1.00 0.00 C ATOM 1234 C VAL A 77 -4.773 -2.239 0.690 1.00 0.00 C ATOM 1235 O VAL A 77 -4.914 -3.192 -0.046 1.00 0.00 O ATOM 1236 CB VAL A 77 -5.790 -0.154 -0.225 1.00 0.00 C ATOM 1237 CG1 VAL A 77 -5.916 -0.831 -1.591 1.00 0.00 C ATOM 1238 CG2 VAL A 77 -6.915 0.870 -0.057 1.00 0.00 C ATOM 0 H VAL A 77 -5.425 0.421 2.171 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.856 -1.715 0.828 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.827 0.351 -0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.844 -0.080 -2.377 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.114 -1.560 -1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.879 -1.337 -1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.843 1.622 -0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.879 0.366 -0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.825 1.352 0.916 1.00 0.00 H new ATOM 1248 N SER A 78 -3.660 -2.046 1.339 1.00 0.00 N ATOM 1249 CA SER A 78 -2.530 -3.008 1.178 1.00 0.00 C ATOM 1250 C SER A 78 -2.781 -4.277 2.002 1.00 0.00 C ATOM 1251 O SER A 78 -2.654 -5.381 1.511 1.00 0.00 O ATOM 1252 CB SER A 78 -1.234 -2.347 1.648 1.00 0.00 C ATOM 1253 OG SER A 78 -1.051 -1.121 0.949 1.00 0.00 O ATOM 0 H SER A 78 -3.482 -1.267 1.973 1.00 0.00 H new ATOM 0 HA SER A 78 -2.449 -3.283 0.126 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.274 -2.164 2.722 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.388 -3.011 1.469 1.00 0.00 H new ATOM 0 HG SER A 78 -1.666 -0.446 1.305 1.00 0.00 H new ATOM 1259 N MET A 79 -3.117 -4.133 3.254 1.00 0.00 N ATOM 1260 CA MET A 79 -3.353 -5.329 4.107 1.00 0.00 C ATOM 1261 C MET A 79 -4.395 -6.250 3.465 1.00 0.00 C ATOM 1262 O MET A 79 -4.217 -7.452 3.402 1.00 0.00 O ATOM 1263 CB MET A 79 -3.857 -4.873 5.474 1.00 0.00 C ATOM 1264 CG MET A 79 -2.833 -3.928 6.105 1.00 0.00 C ATOM 1265 SD MET A 79 -2.350 -4.562 7.730 1.00 0.00 S ATOM 1266 CE MET A 79 -3.959 -4.366 8.536 1.00 0.00 C ATOM 0 H MET A 79 -3.238 -3.236 3.723 1.00 0.00 H new ATOM 0 HA MET A 79 -2.418 -5.879 4.213 1.00 0.00 H new ATOM 0 HB2 MET A 79 -4.818 -4.369 5.370 1.00 0.00 H new ATOM 0 HB3 MET A 79 -4.019 -5.736 6.120 1.00 0.00 H new ATOM 0 HG2 MET A 79 -1.957 -3.841 5.462 1.00 0.00 H new ATOM 0 HG3 MET A 79 -3.257 -2.929 6.204 1.00 0.00 H new ATOM 0 HE1 MET A 79 -3.860 -3.693 9.387 1.00 0.00 H new ATOM 0 HE2 MET A 79 -4.674 -3.950 7.826 1.00 0.00 H new ATOM 0 HE3 MET A 79 -4.314 -5.337 8.881 1.00 0.00 H new ATOM 1276 N VAL A 80 -5.487 -5.707 3.005 1.00 0.00 N ATOM 1277 CA VAL A 80 -6.539 -6.561 2.390 1.00 0.00 C ATOM 1278 C VAL A 80 -5.996 -7.253 1.134 1.00 0.00 C ATOM 1279 O VAL A 80 -6.275 -8.411 0.890 1.00 0.00 O ATOM 1280 CB VAL A 80 -7.739 -5.691 2.024 1.00 0.00 C ATOM 1281 CG1 VAL A 80 -8.547 -5.385 3.290 1.00 0.00 C ATOM 1282 CG2 VAL A 80 -7.252 -4.382 1.397 1.00 0.00 C ATOM 0 H VAL A 80 -5.696 -4.709 3.029 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.843 -7.327 3.104 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.368 -6.220 1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.405 -4.764 3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.895 -6.318 3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.917 -4.855 4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.110 -3.762 1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.623 -3.849 2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.676 -4.601 0.498 1.00 0.00 H new ATOM 1292 N THR A 81 -5.225 -6.565 0.334 1.00 0.00 N ATOM 1293 CA THR A 81 -4.681 -7.212 -0.895 1.00 0.00 C ATOM 1294 C THR A 81 -3.651 -8.270 -0.499 1.00 0.00 C ATOM 1295 O THR A 81 -3.206 -9.054 -1.315 1.00 0.00 O ATOM 1296 CB THR A 81 -4.011 -6.161 -1.787 1.00 0.00 C ATOM 1297 OG1 THR A 81 -4.633 -4.902 -1.585 1.00 0.00 O ATOM 1298 CG2 THR A 81 -4.153 -6.574 -3.254 1.00 0.00 C ATOM 0 H THR A 81 -4.951 -5.593 0.476 1.00 0.00 H new ATOM 0 HA THR A 81 -5.498 -7.680 -1.444 1.00 0.00 H new ATOM 0 HB THR A 81 -2.954 -6.087 -1.531 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.166 -4.417 -0.873 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.677 -5.828 -3.890 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.674 -7.541 -3.408 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.210 -6.648 -3.510 1.00 0.00 H new ATOM 1306 N THR A 82 -3.268 -8.301 0.747 1.00 0.00 N ATOM 1307 CA THR A 82 -2.268 -9.312 1.189 1.00 0.00 C ATOM 1308 C THR A 82 -2.929 -10.305 2.146 1.00 0.00 C ATOM 1309 O THR A 82 -2.300 -11.225 2.628 1.00 0.00 O ATOM 1310 CB THR A 82 -1.108 -8.609 1.897 1.00 0.00 C ATOM 1311 OG1 THR A 82 -1.570 -7.389 2.461 1.00 0.00 O ATOM 1312 CG2 THR A 82 0.005 -8.320 0.888 1.00 0.00 C ATOM 0 H THR A 82 -3.603 -7.672 1.476 1.00 0.00 H new ATOM 0 HA THR A 82 -1.889 -9.849 0.320 1.00 0.00 H new ATOM 0 HB THR A 82 -0.720 -9.250 2.688 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.695 -6.726 1.750 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.832 -7.819 1.392 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.357 -9.257 0.456 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.380 -7.678 0.096 1.00 0.00 H new ATOM 1320 N ALA A 83 -4.194 -10.133 2.422 1.00 0.00 N ATOM 1321 CA ALA A 83 -4.890 -11.076 3.344 1.00 0.00 C ATOM 1322 C ALA A 83 -5.426 -12.272 2.549 1.00 0.00 C ATOM 1323 O ALA A 83 -6.428 -12.863 2.902 1.00 0.00 O ATOM 1324 CB ALA A 83 -6.054 -10.356 4.026 1.00 0.00 C ATOM 0 H ALA A 83 -4.774 -9.382 2.050 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.187 -11.429 4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.563 -11.045 4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.674 -9.507 4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.756 -10.002 3.271 1.00 0.00 H new ATOM 1330 N CYS A 84 -4.769 -12.634 1.478 1.00 0.00 N ATOM 1331 CA CYS A 84 -5.245 -13.790 0.665 1.00 0.00 C ATOM 1332 C CYS A 84 -4.095 -14.781 0.461 1.00 0.00 C ATOM 1333 O CYS A 84 -3.010 -14.601 0.977 1.00 0.00 O ATOM 1334 CB CYS A 84 -5.733 -13.285 -0.694 1.00 0.00 C ATOM 1335 SG CYS A 84 -6.695 -11.770 -0.461 1.00 0.00 S ATOM 0 H CYS A 84 -3.924 -12.179 1.132 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.063 -14.289 1.184 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.884 -13.093 -1.349 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -6.344 -14.046 -1.179 1.00 0.00 H new ATOM 0 HG CYS A 84 -6.261 -10.851 -1.272 1.00 0.00 H new ATOM 1341 N HIS A 85 -4.322 -15.828 -0.285 1.00 0.00 N ATOM 1342 CA HIS A 85 -3.241 -16.830 -0.517 1.00 0.00 C ATOM 1343 C HIS A 85 -2.680 -16.666 -1.932 1.00 0.00 C ATOM 1344 O HIS A 85 -1.482 -16.685 -2.144 1.00 0.00 O ATOM 1345 CB HIS A 85 -3.806 -18.247 -0.362 1.00 0.00 C ATOM 1346 CG HIS A 85 -4.918 -18.241 0.651 1.00 0.00 C ATOM 1347 ND1 HIS A 85 -6.240 -18.021 0.296 1.00 0.00 N ATOM 1348 CD2 HIS A 85 -4.921 -18.424 2.011 1.00 0.00 C ATOM 1349 CE1 HIS A 85 -6.977 -18.075 1.421 1.00 0.00 C ATOM 1350 NE2 HIS A 85 -6.222 -18.318 2.495 1.00 0.00 N ATOM 0 H HIS A 85 -5.209 -16.033 -0.744 1.00 0.00 H new ATOM 0 HA HIS A 85 -2.447 -16.671 0.213 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -4.177 -18.608 -1.321 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.018 -18.931 -0.047 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -6.590 -17.849 -0.646 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -4.047 -18.620 2.614 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -8.048 -17.938 1.451 1.00 0.00 H new ATOM 1358 N GLU A 86 -3.536 -16.509 -2.904 1.00 0.00 N ATOM 1359 CA GLU A 86 -3.053 -16.350 -4.305 1.00 0.00 C ATOM 1360 C GLU A 86 -3.142 -14.877 -4.716 1.00 0.00 C ATOM 1361 O GLU A 86 -4.074 -14.464 -5.377 1.00 0.00 O ATOM 1362 CB GLU A 86 -3.925 -17.194 -5.238 1.00 0.00 C ATOM 1363 CG GLU A 86 -3.428 -18.642 -5.236 1.00 0.00 C ATOM 1364 CD GLU A 86 -4.420 -19.522 -4.471 1.00 0.00 C ATOM 1365 OE1 GLU A 86 -4.800 -19.140 -3.376 1.00 0.00 O ATOM 1366 OE2 GLU A 86 -4.785 -20.563 -4.994 1.00 0.00 O ATOM 0 H GLU A 86 -4.549 -16.484 -2.789 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.017 -16.681 -4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -4.965 -17.155 -4.914 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.891 -16.789 -6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.320 -19.002 -6.259 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.443 -18.699 -4.773 1.00 0.00 H new ATOM 1373 N PHE A 87 -2.179 -14.081 -4.334 1.00 0.00 N ATOM 1374 CA PHE A 87 -2.215 -12.638 -4.708 1.00 0.00 C ATOM 1375 C PHE A 87 -1.162 -12.358 -5.784 1.00 0.00 C ATOM 1376 O PHE A 87 -1.105 -11.277 -6.337 1.00 0.00 O ATOM 1377 CB PHE A 87 -1.925 -11.777 -3.478 1.00 0.00 C ATOM 1378 CG PHE A 87 -0.837 -12.421 -2.653 1.00 0.00 C ATOM 1379 CD1 PHE A 87 0.502 -12.296 -3.042 1.00 0.00 C ATOM 1380 CD2 PHE A 87 -1.168 -13.140 -1.498 1.00 0.00 C ATOM 1381 CE1 PHE A 87 1.510 -12.889 -2.277 1.00 0.00 C ATOM 1382 CE2 PHE A 87 -0.159 -13.733 -0.733 1.00 0.00 C ATOM 1383 CZ PHE A 87 1.181 -13.607 -1.122 1.00 0.00 C ATOM 0 H PHE A 87 -1.371 -14.367 -3.781 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.204 -12.395 -5.095 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -1.618 -10.777 -3.786 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.829 -11.663 -2.880 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.756 -11.741 -3.933 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.201 -13.236 -1.198 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.543 -12.793 -2.577 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.413 -14.288 0.158 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.960 -14.064 -0.530 1.00 0.00 H new ATOM 1393 N PHE A 88 -0.338 -13.321 -6.101 1.00 0.00 N ATOM 1394 CA PHE A 88 0.691 -13.100 -7.152 1.00 0.00 C ATOM 1395 C PHE A 88 0.157 -13.656 -8.464 1.00 0.00 C ATOM 1396 O PHE A 88 -0.070 -12.936 -9.415 1.00 0.00 O ATOM 1397 CB PHE A 88 1.986 -13.837 -6.787 1.00 0.00 C ATOM 1398 CG PHE A 88 2.761 -13.083 -5.723 1.00 0.00 C ATOM 1399 CD1 PHE A 88 2.584 -11.702 -5.538 1.00 0.00 C ATOM 1400 CD2 PHE A 88 3.675 -13.779 -4.922 1.00 0.00 C ATOM 1401 CE1 PHE A 88 3.318 -11.026 -4.555 1.00 0.00 C ATOM 1402 CE2 PHE A 88 4.407 -13.102 -3.939 1.00 0.00 C ATOM 1403 CZ PHE A 88 4.229 -11.725 -3.757 1.00 0.00 C ATOM 0 H PHE A 88 -0.335 -14.249 -5.677 1.00 0.00 H new ATOM 0 HA PHE A 88 0.904 -12.035 -7.240 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.749 -14.839 -6.428 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.604 -13.955 -7.677 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.881 -11.161 -6.154 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.816 -14.841 -5.063 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.180 -9.964 -4.413 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.109 -13.642 -3.321 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.795 -11.203 -3.000 1.00 0.00 H new ATOM 1413 N GLU A 89 -0.041 -14.941 -8.519 1.00 0.00 N ATOM 1414 CA GLU A 89 -0.555 -15.557 -9.762 1.00 0.00 C ATOM 1415 C GLU A 89 -0.659 -17.074 -9.583 1.00 0.00 C ATOM 1416 O GLU A 89 -1.737 -17.630 -9.515 1.00 0.00 O ATOM 1417 CB GLU A 89 0.417 -15.236 -10.883 1.00 0.00 C ATOM 1418 CG GLU A 89 -0.284 -14.382 -11.940 1.00 0.00 C ATOM 1419 CD GLU A 89 -0.481 -15.206 -13.213 1.00 0.00 C ATOM 1420 OE1 GLU A 89 -1.220 -16.176 -13.160 1.00 0.00 O ATOM 1421 OE2 GLU A 89 0.112 -14.853 -14.221 1.00 0.00 O ATOM 0 H GLU A 89 0.133 -15.590 -7.752 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.545 -15.166 -9.997 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.282 -14.705 -10.487 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.787 -16.158 -11.332 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.248 -14.038 -11.564 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.309 -13.494 -12.157 1.00 0.00 H new ATOM 1428 N HIS A 90 0.455 -17.746 -9.510 1.00 0.00 N ATOM 1429 CA HIS A 90 0.425 -19.226 -9.342 1.00 0.00 C ATOM 1430 C HIS A 90 -0.141 -19.580 -7.962 1.00 0.00 C ATOM 1431 O HIS A 90 -0.746 -18.763 -7.298 1.00 0.00 O ATOM 1432 CB HIS A 90 1.847 -19.786 -9.485 1.00 0.00 C ATOM 1433 CG HIS A 90 2.623 -19.563 -8.213 1.00 0.00 C ATOM 1434 ND1 HIS A 90 2.799 -18.303 -7.659 1.00 0.00 N ATOM 1435 CD2 HIS A 90 3.280 -20.434 -7.380 1.00 0.00 C ATOM 1436 CE1 HIS A 90 3.536 -18.451 -6.543 1.00 0.00 C ATOM 1437 NE2 HIS A 90 3.856 -19.729 -6.327 1.00 0.00 N ATOM 0 H HIS A 90 1.387 -17.334 -9.559 1.00 0.00 H new ATOM 0 HA HIS A 90 -0.213 -19.665 -10.109 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.805 -20.851 -9.712 1.00 0.00 H new ATOM 0 HB3 HIS A 90 2.355 -19.302 -10.319 1.00 0.00 H new ATOM 0 HD2 HIS A 90 3.341 -21.503 -7.520 1.00 0.00 H new ATOM 0 HE1 HIS A 90 3.833 -17.635 -5.900 1.00 0.00 H new ATOM 0 HE2 HIS A 90 4.405 -20.108 -5.555 1.00 0.00 H new ATOM 1445 N GLU A 91 0.051 -20.798 -7.531 1.00 0.00 N ATOM 1446 CA GLU A 91 -0.473 -21.212 -6.198 1.00 0.00 C ATOM 1447 C GLU A 91 0.694 -21.411 -5.230 1.00 0.00 C ATOM 1448 O GLU A 91 0.918 -22.542 -4.828 1.00 0.00 O ATOM 1449 CB GLU A 91 -1.247 -22.527 -6.344 1.00 0.00 C ATOM 1450 CG GLU A 91 -2.689 -22.226 -6.754 1.00 0.00 C ATOM 1451 CD GLU A 91 -3.421 -23.538 -7.048 1.00 0.00 C ATOM 1452 OE1 GLU A 91 -2.816 -24.583 -6.872 1.00 0.00 O ATOM 1453 OE2 GLU A 91 -4.574 -23.475 -7.440 1.00 0.00 O ATOM 1454 OXT GLU A 91 1.344 -20.430 -4.908 1.00 0.00 O ATOM 0 H GLU A 91 0.549 -21.525 -8.045 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.136 -20.439 -5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.770 -23.161 -7.091 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.232 -23.077 -5.403 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.199 -21.683 -5.958 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.701 -21.585 -7.635 1.00 0.00 H new TER 1461 GLU A 91 ATOM 1462 N MET B 0 -7.377 -3.257 -14.094 1.00 0.00 N ATOM 1463 CA MET B 0 -8.292 -2.498 -14.993 1.00 0.00 C ATOM 1464 C MET B 0 -8.550 -1.109 -14.402 1.00 0.00 C ATOM 1465 O MET B 0 -8.311 -0.101 -15.036 1.00 0.00 O ATOM 1466 CB MET B 0 -9.618 -3.252 -15.125 1.00 0.00 C ATOM 1467 CG MET B 0 -9.358 -4.649 -15.695 1.00 0.00 C ATOM 1468 SD MET B 0 -9.867 -4.697 -17.431 1.00 0.00 S ATOM 1469 CE MET B 0 -9.490 -6.443 -17.731 1.00 0.00 C ATOM 0 H1 MET B 0 -6.685 -3.782 -14.666 1.00 0.00 H new ATOM 0 H2 MET B 0 -6.877 -2.594 -13.467 1.00 0.00 H new ATOM 0 H3 MET B 0 -7.930 -3.926 -13.520 1.00 0.00 H new ATOM 0 HA MET B 0 -7.834 -2.395 -15.977 1.00 0.00 H new ATOM 0 HB2 MET B 0 -10.103 -3.329 -14.152 1.00 0.00 H new ATOM 0 HB3 MET B 0 -10.297 -2.703 -15.777 1.00 0.00 H new ATOM 0 HG2 MET B 0 -8.300 -4.898 -15.608 1.00 0.00 H new ATOM 0 HG3 MET B 0 -9.909 -5.395 -15.123 1.00 0.00 H new ATOM 0 HE1 MET B 0 -9.733 -6.695 -18.763 1.00 0.00 H new ATOM 0 HE2 MET B 0 -8.430 -6.622 -17.553 1.00 0.00 H new ATOM 0 HE3 MET B 0 -10.081 -7.064 -17.057 1.00 0.00 H new ATOM 1481 N SER B 1 -9.036 -1.048 -13.192 1.00 0.00 N ATOM 1482 CA SER B 1 -9.304 0.276 -12.565 1.00 0.00 C ATOM 1483 C SER B 1 -7.989 0.874 -12.060 1.00 0.00 C ATOM 1484 O SER B 1 -6.930 0.305 -12.240 1.00 0.00 O ATOM 1485 CB SER B 1 -10.270 0.102 -11.391 1.00 0.00 C ATOM 1486 OG SER B 1 -9.917 -1.067 -10.663 1.00 0.00 O ATOM 0 H SER B 1 -9.259 -1.857 -12.612 1.00 0.00 H new ATOM 0 HA SER B 1 -9.749 0.944 -13.303 1.00 0.00 H new ATOM 0 HB2 SER B 1 -10.231 0.976 -10.740 1.00 0.00 H new ATOM 0 HB3 SER B 1 -11.294 0.022 -11.756 1.00 0.00 H new ATOM 0 HG SER B 1 -10.720 -1.453 -10.255 1.00 0.00 H new ATOM 1492 N GLU B 2 -8.048 2.016 -11.429 1.00 0.00 N ATOM 1493 CA GLU B 2 -6.799 2.646 -10.914 1.00 0.00 C ATOM 1494 C GLU B 2 -6.249 1.820 -9.750 1.00 0.00 C ATOM 1495 O GLU B 2 -5.055 1.651 -9.606 1.00 0.00 O ATOM 1496 CB GLU B 2 -7.105 4.064 -10.424 1.00 0.00 C ATOM 1497 CG GLU B 2 -7.928 4.805 -11.477 1.00 0.00 C ATOM 1498 CD GLU B 2 -7.264 4.649 -12.848 1.00 0.00 C ATOM 1499 OE1 GLU B 2 -6.076 4.911 -12.943 1.00 0.00 O ATOM 1500 OE2 GLU B 2 -7.954 4.268 -13.778 1.00 0.00 O ATOM 0 H GLU B 2 -8.905 2.539 -11.248 1.00 0.00 H new ATOM 0 HA GLU B 2 -6.061 2.686 -11.715 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -7.653 4.024 -9.482 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -6.176 4.601 -10.230 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -8.943 4.409 -11.506 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -8.005 5.861 -11.217 1.00 0.00 H new ATOM 1507 N LEU B 3 -7.113 1.311 -8.913 1.00 0.00 N ATOM 1508 CA LEU B 3 -6.642 0.504 -7.753 1.00 0.00 C ATOM 1509 C LEU B 3 -6.314 -0.920 -8.206 1.00 0.00 C ATOM 1510 O LEU B 3 -5.264 -1.451 -7.911 1.00 0.00 O ATOM 1511 CB LEU B 3 -7.745 0.447 -6.694 1.00 0.00 C ATOM 1512 CG LEU B 3 -7.132 0.124 -5.333 1.00 0.00 C ATOM 1513 CD1 LEU B 3 -6.536 1.394 -4.726 1.00 0.00 C ATOM 1514 CD2 LEU B 3 -8.218 -0.426 -4.403 1.00 0.00 C ATOM 0 H LEU B 3 -8.125 1.420 -8.983 1.00 0.00 H new ATOM 0 HA LEU B 3 -5.748 0.967 -7.337 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -8.271 1.401 -6.650 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -8.481 -0.311 -6.962 1.00 0.00 H new ATOM 0 HG LEU B 3 -6.346 -0.621 -5.456 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -6.099 1.163 -3.755 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -5.763 1.786 -5.388 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -7.320 2.141 -4.602 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -7.782 -0.657 -3.431 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -9.004 0.319 -4.280 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -8.642 -1.332 -4.835 1.00 0.00 H new ATOM 1526 N GLU B 4 -7.209 -1.548 -8.909 1.00 0.00 N ATOM 1527 CA GLU B 4 -6.942 -2.942 -9.363 1.00 0.00 C ATOM 1528 C GLU B 4 -5.654 -2.983 -10.192 1.00 0.00 C ATOM 1529 O GLU B 4 -4.850 -3.879 -10.054 1.00 0.00 O ATOM 1530 CB GLU B 4 -8.115 -3.440 -10.210 1.00 0.00 C ATOM 1531 CG GLU B 4 -7.861 -4.890 -10.630 1.00 0.00 C ATOM 1532 CD GLU B 4 -8.843 -5.281 -11.734 1.00 0.00 C ATOM 1533 OE1 GLU B 4 -9.496 -4.395 -12.261 1.00 0.00 O ATOM 1534 OE2 GLU B 4 -8.926 -6.461 -12.036 1.00 0.00 O ATOM 0 H GLU B 4 -8.110 -1.161 -9.189 1.00 0.00 H new ATOM 0 HA GLU B 4 -6.826 -3.586 -8.491 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -9.043 -3.372 -9.642 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -8.234 -2.810 -11.092 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -6.836 -5.003 -10.984 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -7.978 -5.554 -9.773 1.00 0.00 H new ATOM 1541 N LYS B 5 -5.447 -2.029 -11.054 1.00 0.00 N ATOM 1542 CA LYS B 5 -4.205 -2.042 -11.879 1.00 0.00 C ATOM 1543 C LYS B 5 -3.023 -1.538 -11.044 1.00 0.00 C ATOM 1544 O LYS B 5 -1.921 -2.039 -11.148 1.00 0.00 O ATOM 1545 CB LYS B 5 -4.393 -1.135 -13.095 1.00 0.00 C ATOM 1546 CG LYS B 5 -3.520 -1.642 -14.245 1.00 0.00 C ATOM 1547 CD LYS B 5 -4.380 -2.447 -15.219 1.00 0.00 C ATOM 1548 CE LYS B 5 -3.748 -2.397 -16.611 1.00 0.00 C ATOM 1549 NZ LYS B 5 -4.626 -3.110 -17.582 1.00 0.00 N ATOM 0 H LYS B 5 -6.078 -1.246 -11.224 1.00 0.00 H new ATOM 0 HA LYS B 5 -4.003 -3.061 -12.210 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -5.441 -1.124 -13.396 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -4.123 -0.109 -12.843 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -3.056 -0.802 -14.761 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -2.713 -2.263 -13.857 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -4.462 -3.480 -14.881 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -5.391 -2.041 -15.251 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -3.610 -1.362 -16.922 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -2.761 -2.858 -16.590 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -4.196 -3.076 -18.528 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -4.736 -4.101 -17.287 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -5.559 -2.651 -17.609 1.00 0.00 H new ATOM 1563 N ALA B 6 -3.244 -0.551 -10.220 1.00 0.00 N ATOM 1564 CA ALA B 6 -2.133 -0.015 -9.382 1.00 0.00 C ATOM 1565 C ALA B 6 -1.922 -0.919 -8.167 1.00 0.00 C ATOM 1566 O ALA B 6 -0.934 -1.616 -8.064 1.00 0.00 O ATOM 1567 CB ALA B 6 -2.490 1.394 -8.905 1.00 0.00 C ATOM 0 H ALA B 6 -4.146 -0.092 -10.090 1.00 0.00 H new ATOM 0 HA ALA B 6 -1.219 0.017 -9.974 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -1.679 1.787 -8.292 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -2.640 2.043 -9.768 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.406 1.357 -8.315 1.00 0.00 H new ATOM 1573 N MET B 7 -2.846 -0.904 -7.245 1.00 0.00 N ATOM 1574 CA MET B 7 -2.720 -1.749 -6.025 1.00 0.00 C ATOM 1575 C MET B 7 -2.168 -3.122 -6.399 1.00 0.00 C ATOM 1576 O MET B 7 -1.251 -3.632 -5.783 1.00 0.00 O ATOM 1577 CB MET B 7 -4.104 -1.924 -5.392 1.00 0.00 C ATOM 1578 CG MET B 7 -3.989 -2.796 -4.141 1.00 0.00 C ATOM 1579 SD MET B 7 -3.298 -1.819 -2.783 1.00 0.00 S ATOM 1580 CE MET B 7 -1.596 -2.417 -2.921 1.00 0.00 C ATOM 0 H MET B 7 -3.692 -0.336 -7.286 1.00 0.00 H new ATOM 0 HA MET B 7 -2.042 -1.266 -5.321 1.00 0.00 H new ATOM 0 HB2 MET B 7 -4.522 -0.951 -5.133 1.00 0.00 H new ATOM 0 HB3 MET B 7 -4.786 -2.384 -6.107 1.00 0.00 H new ATOM 0 HG2 MET B 7 -4.970 -3.182 -3.863 1.00 0.00 H new ATOM 0 HG3 MET B 7 -3.353 -3.658 -4.343 1.00 0.00 H new ATOM 0 HE1 MET B 7 -1.151 -2.481 -1.928 1.00 0.00 H new ATOM 0 HE2 MET B 7 -1.593 -3.404 -3.384 1.00 0.00 H new ATOM 0 HE3 MET B 7 -1.016 -1.727 -3.534 1.00 0.00 H new ATOM 1590 N VAL B 8 -2.729 -3.730 -7.401 1.00 0.00 N ATOM 1591 CA VAL B 8 -2.253 -5.078 -7.814 1.00 0.00 C ATOM 1592 C VAL B 8 -0.866 -4.969 -8.455 1.00 0.00 C ATOM 1593 O VAL B 8 -0.011 -5.808 -8.246 1.00 0.00 O ATOM 1594 CB VAL B 8 -3.242 -5.686 -8.807 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -2.870 -7.144 -9.067 1.00 0.00 C ATOM 1596 CG2 VAL B 8 -4.654 -5.626 -8.215 1.00 0.00 C ATOM 0 H VAL B 8 -3.498 -3.353 -7.954 1.00 0.00 H new ATOM 0 HA VAL B 8 -2.184 -5.721 -6.936 1.00 0.00 H new ATOM 0 HB VAL B 8 -3.209 -5.127 -9.742 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -3.575 -7.579 -9.775 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.863 -7.194 -9.480 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.906 -7.701 -8.131 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -5.363 -6.059 -8.921 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -4.681 -6.188 -7.282 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -4.923 -4.588 -8.021 1.00 0.00 H new ATOM 1606 N ALA B 9 -0.626 -3.942 -9.227 1.00 0.00 N ATOM 1607 CA ALA B 9 0.715 -3.794 -9.863 1.00 0.00 C ATOM 1608 C ALA B 9 1.789 -3.878 -8.780 1.00 0.00 C ATOM 1609 O ALA B 9 2.790 -4.550 -8.933 1.00 0.00 O ATOM 1610 CB ALA B 9 0.806 -2.441 -10.574 1.00 0.00 C ATOM 0 H ALA B 9 -1.296 -3.204 -9.443 1.00 0.00 H new ATOM 0 HA ALA B 9 0.864 -4.589 -10.594 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.788 -2.338 -11.037 1.00 0.00 H new ATOM 0 HB2 ALA B 9 0.035 -2.381 -11.342 1.00 0.00 H new ATOM 0 HB3 ALA B 9 0.660 -1.639 -9.850 1.00 0.00 H new ATOM 1616 N LEU B 10 1.582 -3.210 -7.676 1.00 0.00 N ATOM 1617 CA LEU B 10 2.581 -3.265 -6.577 1.00 0.00 C ATOM 1618 C LEU B 10 2.832 -4.730 -6.223 1.00 0.00 C ATOM 1619 O LEU B 10 3.956 -5.196 -6.210 1.00 0.00 O ATOM 1620 CB LEU B 10 2.032 -2.526 -5.354 1.00 0.00 C ATOM 1621 CG LEU B 10 3.092 -1.560 -4.826 1.00 0.00 C ATOM 1622 CD1 LEU B 10 2.414 -0.437 -4.038 1.00 0.00 C ATOM 1623 CD2 LEU B 10 4.057 -2.316 -3.909 1.00 0.00 C ATOM 0 H LEU B 10 0.764 -2.630 -7.491 1.00 0.00 H new ATOM 0 HA LEU B 10 3.512 -2.793 -6.890 1.00 0.00 H new ATOM 0 HB2 LEU B 10 1.127 -1.980 -5.621 1.00 0.00 H new ATOM 0 HB3 LEU B 10 1.756 -3.240 -4.578 1.00 0.00 H new ATOM 0 HG LEU B 10 3.644 -1.133 -5.663 1.00 0.00 H new ATOM 0 HD11 LEU B 10 3.171 0.252 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU B 10 1.726 0.101 -4.690 1.00 0.00 H new ATOM 0 HD13 LEU B 10 1.862 -0.863 -3.200 1.00 0.00 H new ATOM 0 HD21 LEU B 10 4.814 -1.629 -3.531 1.00 0.00 H new ATOM 0 HD22 LEU B 10 3.504 -2.743 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU B 10 4.541 -3.116 -4.470 1.00 0.00 H new ATOM 1635 N ILE B 11 1.787 -5.467 -5.955 1.00 0.00 N ATOM 1636 CA ILE B 11 1.962 -6.906 -5.624 1.00 0.00 C ATOM 1637 C ILE B 11 2.856 -7.546 -6.687 1.00 0.00 C ATOM 1638 O ILE B 11 3.643 -8.432 -6.412 1.00 0.00 O ATOM 1639 CB ILE B 11 0.595 -7.595 -5.617 1.00 0.00 C ATOM 1640 CG1 ILE B 11 -0.254 -7.036 -4.474 1.00 0.00 C ATOM 1641 CG2 ILE B 11 0.781 -9.100 -5.422 1.00 0.00 C ATOM 1642 CD1 ILE B 11 0.492 -7.212 -3.152 1.00 0.00 C ATOM 0 H ILE B 11 0.823 -5.133 -5.952 1.00 0.00 H new ATOM 0 HA ILE B 11 2.421 -7.013 -4.641 1.00 0.00 H new ATOM 0 HB ILE B 11 0.093 -7.411 -6.567 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.466 -5.981 -4.647 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.214 -7.551 -4.434 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -0.193 -9.589 -5.417 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.384 -9.501 -6.237 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.284 -9.284 -4.473 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.113 -6.814 -2.337 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.681 -8.271 -2.979 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.440 -6.676 -3.195 1.00 0.00 H new ATOM 1654 N ASP B 12 2.741 -7.092 -7.907 1.00 0.00 N ATOM 1655 CA ASP B 12 3.580 -7.654 -9.000 1.00 0.00 C ATOM 1656 C ASP B 12 5.056 -7.395 -8.690 1.00 0.00 C ATOM 1657 O ASP B 12 5.889 -8.270 -8.818 1.00 0.00 O ATOM 1658 CB ASP B 12 3.209 -6.969 -10.317 1.00 0.00 C ATOM 1659 CG ASP B 12 3.455 -7.930 -11.483 1.00 0.00 C ATOM 1660 OD1 ASP B 12 2.745 -8.917 -11.571 1.00 0.00 O ATOM 1661 OD2 ASP B 12 4.350 -7.659 -12.269 1.00 0.00 O ATOM 0 H ASP B 12 2.099 -6.353 -8.192 1.00 0.00 H new ATOM 0 HA ASP B 12 3.409 -8.727 -9.082 1.00 0.00 H new ATOM 0 HB2 ASP B 12 2.163 -6.665 -10.298 1.00 0.00 H new ATOM 0 HB3 ASP B 12 3.802 -6.064 -10.447 1.00 0.00 H new ATOM 1666 N VAL B 13 5.387 -6.199 -8.277 1.00 0.00 N ATOM 1667 CA VAL B 13 6.809 -5.895 -7.958 1.00 0.00 C ATOM 1668 C VAL B 13 7.376 -7.019 -7.090 1.00 0.00 C ATOM 1669 O VAL B 13 8.520 -7.403 -7.230 1.00 0.00 O ATOM 1670 CB VAL B 13 6.905 -4.567 -7.202 1.00 0.00 C ATOM 1671 CG1 VAL B 13 8.327 -4.385 -6.670 1.00 0.00 C ATOM 1672 CG2 VAL B 13 6.575 -3.414 -8.150 1.00 0.00 C ATOM 0 H VAL B 13 4.736 -5.425 -8.148 1.00 0.00 H new ATOM 0 HA VAL B 13 7.379 -5.816 -8.884 1.00 0.00 H new ATOM 0 HB VAL B 13 6.199 -4.573 -6.372 1.00 0.00 H new ATOM 0 HG11 VAL B 13 8.396 -3.440 -6.132 1.00 0.00 H new ATOM 0 HG12 VAL B 13 8.571 -5.205 -5.995 1.00 0.00 H new ATOM 0 HG13 VAL B 13 9.029 -4.380 -7.503 1.00 0.00 H new ATOM 0 HG21 VAL B 13 6.644 -2.469 -7.611 1.00 0.00 H new ATOM 0 HG22 VAL B 13 7.282 -3.411 -8.979 1.00 0.00 H new ATOM 0 HG23 VAL B 13 5.563 -3.539 -8.536 1.00 0.00 H new ATOM 1682 N PHE B 14 6.587 -7.553 -6.197 1.00 0.00 N ATOM 1683 CA PHE B 14 7.091 -8.656 -5.330 1.00 0.00 C ATOM 1684 C PHE B 14 7.459 -9.859 -6.202 1.00 0.00 C ATOM 1685 O PHE B 14 8.501 -10.461 -6.038 1.00 0.00 O ATOM 1686 CB PHE B 14 6.010 -9.069 -4.327 1.00 0.00 C ATOM 1687 CG PHE B 14 6.664 -9.464 -3.027 1.00 0.00 C ATOM 1688 CD1 PHE B 14 7.135 -10.772 -2.849 1.00 0.00 C ATOM 1689 CD2 PHE B 14 6.806 -8.523 -2.001 1.00 0.00 C ATOM 1690 CE1 PHE B 14 7.747 -11.137 -1.645 1.00 0.00 C ATOM 1691 CE2 PHE B 14 7.418 -8.888 -0.796 1.00 0.00 C ATOM 1692 CZ PHE B 14 7.889 -10.195 -0.618 1.00 0.00 C ATOM 0 H PHE B 14 5.620 -7.275 -6.031 1.00 0.00 H new ATOM 0 HA PHE B 14 7.971 -8.310 -4.787 1.00 0.00 H new ATOM 0 HB2 PHE B 14 5.316 -8.245 -4.163 1.00 0.00 H new ATOM 0 HB3 PHE B 14 5.429 -9.902 -4.723 1.00 0.00 H new ATOM 0 HD1 PHE B 14 7.026 -11.498 -3.641 1.00 0.00 H new ATOM 0 HD2 PHE B 14 6.443 -7.515 -2.139 1.00 0.00 H new ATOM 0 HE1 PHE B 14 8.110 -12.145 -1.507 1.00 0.00 H new ATOM 0 HE2 PHE B 14 7.527 -8.162 -0.004 1.00 0.00 H new ATOM 0 HZ PHE B 14 8.362 -10.477 0.311 1.00 0.00 H new ATOM 1702 N HIS B 15 6.612 -10.212 -7.130 1.00 0.00 N ATOM 1703 CA HIS B 15 6.917 -11.376 -8.013 1.00 0.00 C ATOM 1704 C HIS B 15 8.102 -11.033 -8.924 1.00 0.00 C ATOM 1705 O HIS B 15 8.611 -11.872 -9.639 1.00 0.00 O ATOM 1706 CB HIS B 15 5.692 -11.701 -8.868 1.00 0.00 C ATOM 1707 CG HIS B 15 6.017 -12.835 -9.803 1.00 0.00 C ATOM 1708 ND1 HIS B 15 6.680 -13.977 -9.380 1.00 0.00 N ATOM 1709 CD2 HIS B 15 5.775 -13.016 -11.142 1.00 0.00 C ATOM 1710 CE1 HIS B 15 6.812 -14.787 -10.446 1.00 0.00 C ATOM 1711 NE2 HIS B 15 6.278 -14.250 -11.546 1.00 0.00 N ATOM 0 H HIS B 15 5.724 -9.747 -7.316 1.00 0.00 H new ATOM 0 HA HIS B 15 7.171 -12.240 -7.399 1.00 0.00 H new ATOM 0 HB2 HIS B 15 4.851 -11.972 -8.229 1.00 0.00 H new ATOM 0 HB3 HIS B 15 5.389 -10.822 -9.437 1.00 0.00 H new ATOM 0 HD2 HIS B 15 5.271 -12.309 -11.784 1.00 0.00 H new ATOM 0 HE1 HIS B 15 7.292 -15.754 -10.416 1.00 0.00 H new ATOM 0 HE2 HIS B 15 6.246 -14.656 -12.481 1.00 0.00 H new ATOM 1719 N GLN B 16 8.541 -9.803 -8.902 1.00 0.00 N ATOM 1720 CA GLN B 16 9.690 -9.400 -9.763 1.00 0.00 C ATOM 1721 C GLN B 16 10.998 -9.538 -8.977 1.00 0.00 C ATOM 1722 O GLN B 16 11.896 -10.256 -9.369 1.00 0.00 O ATOM 1723 CB GLN B 16 9.505 -7.943 -10.196 1.00 0.00 C ATOM 1724 CG GLN B 16 10.363 -7.660 -11.430 1.00 0.00 C ATOM 1725 CD GLN B 16 9.459 -7.263 -12.596 1.00 0.00 C ATOM 1726 OE1 GLN B 16 8.727 -6.296 -12.511 1.00 0.00 O ATOM 1727 NE2 GLN B 16 9.477 -7.973 -13.691 1.00 0.00 N ATOM 0 H GLN B 16 8.152 -9.058 -8.323 1.00 0.00 H new ATOM 0 HA GLN B 16 9.731 -10.043 -10.642 1.00 0.00 H new ATOM 0 HB2 GLN B 16 8.456 -7.750 -10.419 1.00 0.00 H new ATOM 0 HB3 GLN B 16 9.787 -7.273 -9.384 1.00 0.00 H new ATOM 0 HG2 GLN B 16 11.073 -6.861 -11.217 1.00 0.00 H new ATOM 0 HG3 GLN B 16 10.946 -8.543 -11.692 1.00 0.00 H new ATOM 0 HE21 GLN B 16 10.091 -8.784 -13.763 1.00 0.00 H new ATOM 0 HE22 GLN B 16 8.877 -7.717 -14.475 1.00 0.00 H new ATOM 1736 N TYR B 17 11.112 -8.852 -7.872 1.00 0.00 N ATOM 1737 CA TYR B 17 12.361 -8.941 -7.062 1.00 0.00 C ATOM 1738 C TYR B 17 12.398 -10.282 -6.324 1.00 0.00 C ATOM 1739 O TYR B 17 13.292 -11.082 -6.518 1.00 0.00 O ATOM 1740 CB TYR B 17 12.387 -7.802 -6.039 1.00 0.00 C ATOM 1741 CG TYR B 17 12.586 -6.482 -6.745 1.00 0.00 C ATOM 1742 CD1 TYR B 17 11.534 -5.911 -7.471 1.00 0.00 C ATOM 1743 CD2 TYR B 17 13.822 -5.827 -6.671 1.00 0.00 C ATOM 1744 CE1 TYR B 17 11.718 -4.685 -8.121 1.00 0.00 C ATOM 1745 CE2 TYR B 17 14.005 -4.600 -7.322 1.00 0.00 C ATOM 1746 CZ TYR B 17 12.953 -4.030 -8.047 1.00 0.00 C ATOM 1747 OH TYR B 17 13.135 -2.821 -8.688 1.00 0.00 O ATOM 0 H TYR B 17 10.394 -8.233 -7.495 1.00 0.00 H new ATOM 0 HA TYR B 17 13.226 -8.863 -7.721 1.00 0.00 H new ATOM 0 HB2 TYR B 17 11.454 -7.786 -5.476 1.00 0.00 H new ATOM 0 HB3 TYR B 17 13.190 -7.965 -5.321 1.00 0.00 H new ATOM 0 HD1 TYR B 17 10.581 -6.416 -7.530 1.00 0.00 H new ATOM 0 HD2 TYR B 17 14.634 -6.268 -6.112 1.00 0.00 H new ATOM 0 HE1 TYR B 17 10.906 -4.244 -8.680 1.00 0.00 H new ATOM 0 HE2 TYR B 17 14.958 -4.094 -7.264 1.00 0.00 H new ATOM 0 HH TYR B 17 13.265 -2.114 -8.022 1.00 0.00 H new ATOM 1757 N SER B 18 11.436 -10.530 -5.476 1.00 0.00 N ATOM 1758 CA SER B 18 11.419 -11.816 -4.724 1.00 0.00 C ATOM 1759 C SER B 18 11.132 -12.971 -5.685 1.00 0.00 C ATOM 1760 O SER B 18 11.201 -14.128 -5.320 1.00 0.00 O ATOM 1761 CB SER B 18 10.331 -11.764 -3.650 1.00 0.00 C ATOM 1762 OG SER B 18 10.624 -12.719 -2.637 1.00 0.00 O ATOM 0 H SER B 18 10.662 -9.898 -5.272 1.00 0.00 H new ATOM 0 HA SER B 18 12.390 -11.971 -4.253 1.00 0.00 H new ATOM 0 HB2 SER B 18 10.277 -10.764 -3.219 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.357 -11.973 -4.092 1.00 0.00 H new ATOM 0 HG SER B 18 10.998 -12.262 -1.855 1.00 0.00 H new ATOM 1768 N GLY B 19 10.810 -12.668 -6.912 1.00 0.00 N ATOM 1769 CA GLY B 19 10.520 -13.751 -7.893 1.00 0.00 C ATOM 1770 C GLY B 19 11.834 -14.296 -8.459 1.00 0.00 C ATOM 1771 O GLY B 19 11.841 -15.106 -9.365 1.00 0.00 O ATOM 0 H GLY B 19 10.735 -11.719 -7.277 1.00 0.00 H new ATOM 0 HA2 GLY B 19 9.960 -14.552 -7.411 1.00 0.00 H new ATOM 0 HA3 GLY B 19 9.896 -13.367 -8.700 1.00 0.00 H new ATOM 1775 N ARG B 20 12.947 -13.858 -7.934 1.00 0.00 N ATOM 1776 CA ARG B 20 14.257 -14.354 -8.445 1.00 0.00 C ATOM 1777 C ARG B 20 14.504 -15.773 -7.918 1.00 0.00 C ATOM 1778 O ARG B 20 13.973 -16.735 -8.437 1.00 0.00 O ATOM 1779 CB ARG B 20 15.374 -13.415 -7.977 1.00 0.00 C ATOM 1780 CG ARG B 20 15.143 -12.014 -8.551 1.00 0.00 C ATOM 1781 CD ARG B 20 16.282 -11.659 -9.510 1.00 0.00 C ATOM 1782 NE ARG B 20 15.948 -10.400 -10.233 1.00 0.00 N ATOM 1783 CZ ARG B 20 16.842 -9.454 -10.348 1.00 0.00 C ATOM 1784 NH1 ARG B 20 17.487 -9.038 -9.294 1.00 0.00 N ATOM 1785 NH2 ARG B 20 17.089 -8.927 -11.515 1.00 0.00 N ATOM 0 H ARG B 20 13.005 -13.179 -7.175 1.00 0.00 H new ATOM 0 HA ARG B 20 14.245 -14.376 -9.535 1.00 0.00 H new ATOM 0 HB2 ARG B 20 15.395 -13.374 -6.888 1.00 0.00 H new ATOM 0 HB3 ARG B 20 16.343 -13.796 -8.301 1.00 0.00 H new ATOM 0 HG2 ARG B 20 14.188 -11.977 -9.075 1.00 0.00 H new ATOM 0 HG3 ARG B 20 15.092 -11.283 -7.744 1.00 0.00 H new ATOM 0 HD2 ARG B 20 17.213 -11.537 -8.957 1.00 0.00 H new ATOM 0 HD3 ARG B 20 16.438 -12.469 -10.222 1.00 0.00 H new ATOM 0 HE ARG B 20 15.020 -10.276 -10.639 1.00 0.00 H new ATOM 0 HH11 ARG B 20 17.293 -9.451 -8.382 1.00 0.00 H new ATOM 0 HH12 ARG B 20 18.185 -8.300 -9.382 1.00 0.00 H new ATOM 0 HH21 ARG B 20 16.584 -9.253 -12.339 1.00 0.00 H new ATOM 0 HH22 ARG B 20 17.787 -8.189 -11.604 1.00 0.00 H new ATOM 1799 N GLU B 21 15.303 -15.919 -6.894 1.00 0.00 N ATOM 1800 CA GLU B 21 15.572 -17.280 -6.349 1.00 0.00 C ATOM 1801 C GLU B 21 16.142 -17.159 -4.934 1.00 0.00 C ATOM 1802 O GLU B 21 16.130 -16.100 -4.338 1.00 0.00 O ATOM 1803 CB GLU B 21 16.581 -17.997 -7.248 1.00 0.00 C ATOM 1804 CG GLU B 21 17.815 -17.112 -7.440 1.00 0.00 C ATOM 1805 CD GLU B 21 19.079 -17.967 -7.328 1.00 0.00 C ATOM 1806 OE1 GLU B 21 19.169 -18.953 -8.040 1.00 0.00 O ATOM 1807 OE2 GLU B 21 19.935 -17.619 -6.531 1.00 0.00 O ATOM 0 H GLU B 21 15.779 -15.156 -6.413 1.00 0.00 H new ATOM 0 HA GLU B 21 14.644 -17.851 -6.318 1.00 0.00 H new ATOM 0 HB2 GLU B 21 16.869 -18.949 -6.802 1.00 0.00 H new ATOM 0 HB3 GLU B 21 16.128 -18.222 -8.214 1.00 0.00 H new ATOM 0 HG2 GLU B 21 17.778 -16.625 -8.414 1.00 0.00 H new ATOM 0 HG3 GLU B 21 17.830 -16.322 -6.689 1.00 0.00 H new ATOM 1814 N GLY B 22 16.637 -18.238 -4.391 1.00 0.00 N ATOM 1815 CA GLY B 22 17.202 -18.183 -3.014 1.00 0.00 C ATOM 1816 C GLY B 22 16.071 -17.947 -2.012 1.00 0.00 C ATOM 1817 O GLY B 22 15.465 -18.875 -1.514 1.00 0.00 O ATOM 0 H GLY B 22 16.674 -19.153 -4.841 1.00 0.00 H new ATOM 0 HA2 GLY B 22 17.719 -19.114 -2.783 1.00 0.00 H new ATOM 0 HA3 GLY B 22 17.939 -17.383 -2.943 1.00 0.00 H new ATOM 1821 N ASP B 23 15.776 -16.710 -1.718 1.00 0.00 N ATOM 1822 CA ASP B 23 14.678 -16.415 -0.753 1.00 0.00 C ATOM 1823 C ASP B 23 13.458 -15.897 -1.518 1.00 0.00 C ATOM 1824 O ASP B 23 13.374 -14.734 -1.857 1.00 0.00 O ATOM 1825 CB ASP B 23 15.137 -15.358 0.260 1.00 0.00 C ATOM 1826 CG ASP B 23 16.265 -14.509 -0.334 1.00 0.00 C ATOM 1827 OD1 ASP B 23 16.002 -13.795 -1.287 1.00 0.00 O ATOM 1828 OD2 ASP B 23 17.370 -14.586 0.175 1.00 0.00 O ATOM 0 H ASP B 23 16.247 -15.892 -2.104 1.00 0.00 H new ATOM 0 HA ASP B 23 14.416 -17.328 -0.218 1.00 0.00 H new ATOM 0 HB2 ASP B 23 14.298 -14.719 0.535 1.00 0.00 H new ATOM 0 HB3 ASP B 23 15.480 -15.844 1.173 1.00 0.00 H new ATOM 1833 N LYS B 24 12.515 -16.757 -1.796 1.00 0.00 N ATOM 1834 CA LYS B 24 11.304 -16.319 -2.544 1.00 0.00 C ATOM 1835 C LYS B 24 10.132 -16.150 -1.573 1.00 0.00 C ATOM 1836 O LYS B 24 10.077 -16.777 -0.532 1.00 0.00 O ATOM 1837 CB LYS B 24 10.950 -17.373 -3.597 1.00 0.00 C ATOM 1838 CG LYS B 24 9.650 -16.980 -4.299 1.00 0.00 C ATOM 1839 CD LYS B 24 9.700 -17.442 -5.757 1.00 0.00 C ATOM 1840 CE LYS B 24 8.499 -16.872 -6.515 1.00 0.00 C ATOM 1841 NZ LYS B 24 7.269 -17.627 -6.139 1.00 0.00 N ATOM 0 H LYS B 24 12.532 -17.743 -1.537 1.00 0.00 H new ATOM 0 HA LYS B 24 11.504 -15.366 -3.034 1.00 0.00 H new ATOM 0 HB2 LYS B 24 11.757 -17.459 -4.325 1.00 0.00 H new ATOM 0 HB3 LYS B 24 10.840 -18.350 -3.126 1.00 0.00 H new ATOM 0 HG2 LYS B 24 8.798 -17.433 -3.791 1.00 0.00 H new ATOM 0 HG3 LYS B 24 9.511 -15.900 -4.253 1.00 0.00 H new ATOM 0 HD2 LYS B 24 10.628 -17.111 -6.223 1.00 0.00 H new ATOM 0 HD3 LYS B 24 9.690 -18.531 -5.805 1.00 0.00 H new ATOM 0 HE2 LYS B 24 8.376 -15.815 -6.280 1.00 0.00 H new ATOM 0 HE3 LYS B 24 8.667 -16.942 -7.590 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 6.453 -17.240 -6.654 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 7.389 -18.630 -6.385 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 7.106 -17.538 -5.116 1.00 0.00 H new ATOM 1855 N HIS B 25 9.194 -15.306 -1.904 1.00 0.00 N ATOM 1856 CA HIS B 25 8.024 -15.090 -1.005 1.00 0.00 C ATOM 1857 C HIS B 25 8.454 -14.259 0.207 1.00 0.00 C ATOM 1858 O HIS B 25 7.682 -14.025 1.116 1.00 0.00 O ATOM 1859 CB HIS B 25 7.478 -16.440 -0.530 1.00 0.00 C ATOM 1860 CG HIS B 25 6.084 -16.253 0.009 1.00 0.00 C ATOM 1861 ND1 HIS B 25 5.495 -17.166 0.871 1.00 0.00 N ATOM 1862 CD2 HIS B 25 5.153 -15.262 -0.182 1.00 0.00 C ATOM 1863 CE1 HIS B 25 4.263 -16.709 1.165 1.00 0.00 C ATOM 1864 NE2 HIS B 25 4.003 -15.552 0.550 1.00 0.00 N ATOM 0 H HIS B 25 9.187 -14.754 -2.762 1.00 0.00 H new ATOM 0 HA HIS B 25 7.245 -14.559 -1.553 1.00 0.00 H new ATOM 0 HB2 HIS B 25 7.468 -17.152 -1.355 1.00 0.00 H new ATOM 0 HB3 HIS B 25 8.126 -16.856 0.242 1.00 0.00 H new ATOM 0 HD2 HIS B 25 5.291 -14.390 -0.805 1.00 0.00 H new ATOM 0 HE1 HIS B 25 3.569 -17.216 1.819 1.00 0.00 H new ATOM 0 HE2 HIS B 25 3.147 -15.000 0.604 1.00 0.00 H new ATOM 1872 N LYS B 26 9.680 -13.811 0.228 1.00 0.00 N ATOM 1873 CA LYS B 26 10.153 -12.994 1.381 1.00 0.00 C ATOM 1874 C LYS B 26 10.998 -11.826 0.866 1.00 0.00 C ATOM 1875 O LYS B 26 11.753 -11.960 -0.077 1.00 0.00 O ATOM 1876 CB LYS B 26 10.996 -13.866 2.317 1.00 0.00 C ATOM 1877 CG LYS B 26 12.333 -14.203 1.651 1.00 0.00 C ATOM 1878 CD LYS B 26 13.290 -14.779 2.695 1.00 0.00 C ATOM 1879 CE LYS B 26 14.183 -13.661 3.240 1.00 0.00 C ATOM 1880 NZ LYS B 26 15.438 -14.250 3.785 1.00 0.00 N ATOM 0 H LYS B 26 10.373 -13.975 -0.502 1.00 0.00 H new ATOM 0 HA LYS B 26 9.294 -12.606 1.928 1.00 0.00 H new ATOM 0 HB2 LYS B 26 11.170 -13.343 3.257 1.00 0.00 H new ATOM 0 HB3 LYS B 26 10.458 -14.783 2.557 1.00 0.00 H new ATOM 0 HG2 LYS B 26 12.180 -14.922 0.846 1.00 0.00 H new ATOM 0 HG3 LYS B 26 12.764 -13.308 1.201 1.00 0.00 H new ATOM 0 HD2 LYS B 26 12.726 -15.237 3.507 1.00 0.00 H new ATOM 0 HD3 LYS B 26 13.902 -15.563 2.250 1.00 0.00 H new ATOM 0 HE2 LYS B 26 14.417 -12.949 2.449 1.00 0.00 H new ATOM 0 HE3 LYS B 26 13.658 -13.110 4.020 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 16.045 -13.491 4.155 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 15.206 -14.913 4.552 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 15.940 -14.757 3.029 1.00 0.00 H new ATOM 1894 N LEU B 27 10.877 -10.679 1.478 1.00 0.00 N ATOM 1895 CA LEU B 27 11.672 -9.502 1.025 1.00 0.00 C ATOM 1896 C LEU B 27 12.817 -9.251 2.009 1.00 0.00 C ATOM 1897 O LEU B 27 13.136 -10.089 2.828 1.00 0.00 O ATOM 1898 CB LEU B 27 10.771 -8.267 0.969 1.00 0.00 C ATOM 1899 CG LEU B 27 10.669 -7.771 -0.474 1.00 0.00 C ATOM 1900 CD1 LEU B 27 11.992 -7.126 -0.889 1.00 0.00 C ATOM 1901 CD2 LEU B 27 10.370 -8.953 -1.400 1.00 0.00 C ATOM 0 H LEU B 27 10.261 -10.506 2.273 1.00 0.00 H new ATOM 0 HA LEU B 27 12.079 -9.700 0.034 1.00 0.00 H new ATOM 0 HB2 LEU B 27 9.780 -8.510 1.352 1.00 0.00 H new ATOM 0 HB3 LEU B 27 11.175 -7.481 1.607 1.00 0.00 H new ATOM 0 HG LEU B 27 9.867 -7.036 -0.547 1.00 0.00 H new ATOM 0 HD11 LEU B 27 11.918 -6.773 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU B 27 12.209 -6.284 -0.231 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.794 -7.860 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU B 27 10.297 -8.600 -2.429 1.00 0.00 H new ATOM 0 HD22 LEU B 27 11.172 -9.687 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU B 27 9.427 -9.415 -1.107 1.00 0.00 H new ATOM 1913 N LYS B 28 13.437 -8.104 1.935 1.00 0.00 N ATOM 1914 CA LYS B 28 14.557 -7.801 2.863 1.00 0.00 C ATOM 1915 C LYS B 28 14.599 -6.294 3.122 1.00 0.00 C ATOM 1916 O LYS B 28 14.006 -5.516 2.402 1.00 0.00 O ATOM 1917 CB LYS B 28 15.875 -8.248 2.228 1.00 0.00 C ATOM 1918 CG LYS B 28 16.564 -9.253 3.147 1.00 0.00 C ATOM 1919 CD LYS B 28 17.390 -10.234 2.311 1.00 0.00 C ATOM 1920 CE LYS B 28 18.579 -10.733 3.134 1.00 0.00 C ATOM 1921 NZ LYS B 28 19.499 -11.518 2.260 1.00 0.00 N ATOM 0 H LYS B 28 13.213 -7.364 1.269 1.00 0.00 H new ATOM 0 HA LYS B 28 14.411 -8.330 3.805 1.00 0.00 H new ATOM 0 HB2 LYS B 28 15.688 -8.699 1.253 1.00 0.00 H new ATOM 0 HB3 LYS B 28 16.522 -7.387 2.062 1.00 0.00 H new ATOM 0 HG2 LYS B 28 17.208 -8.731 3.855 1.00 0.00 H new ATOM 0 HG3 LYS B 28 15.821 -9.795 3.732 1.00 0.00 H new ATOM 0 HD2 LYS B 28 16.770 -11.075 2.001 1.00 0.00 H new ATOM 0 HD3 LYS B 28 17.743 -9.746 1.402 1.00 0.00 H new ATOM 0 HE2 LYS B 28 19.110 -9.888 3.573 1.00 0.00 H new ATOM 0 HE3 LYS B 28 18.228 -11.353 3.959 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 20.307 -11.856 2.821 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 18.989 -12.332 1.862 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 19.844 -10.913 1.487 1.00 0.00 H new ATOM 1935 N LYS B 29 15.297 -5.873 4.138 1.00 0.00 N ATOM 1936 CA LYS B 29 15.378 -4.414 4.432 1.00 0.00 C ATOM 1937 C LYS B 29 16.346 -3.762 3.446 1.00 0.00 C ATOM 1938 O LYS B 29 16.233 -2.596 3.124 1.00 0.00 O ATOM 1939 CB LYS B 29 15.882 -4.212 5.858 1.00 0.00 C ATOM 1940 CG LYS B 29 15.019 -5.030 6.819 1.00 0.00 C ATOM 1941 CD LYS B 29 15.732 -5.140 8.164 1.00 0.00 C ATOM 1942 CE LYS B 29 14.789 -4.683 9.280 1.00 0.00 C ATOM 1943 NZ LYS B 29 14.249 -5.874 9.995 1.00 0.00 N ATOM 0 H LYS B 29 15.815 -6.475 4.778 1.00 0.00 H new ATOM 0 HA LYS B 29 14.392 -3.959 4.332 1.00 0.00 H new ATOM 0 HB2 LYS B 29 16.925 -4.521 5.935 1.00 0.00 H new ATOM 0 HB3 LYS B 29 15.842 -3.156 6.124 1.00 0.00 H new ATOM 0 HG2 LYS B 29 14.046 -4.555 6.947 1.00 0.00 H new ATOM 0 HG3 LYS B 29 14.837 -6.023 6.408 1.00 0.00 H new ATOM 0 HD2 LYS B 29 16.047 -6.169 8.338 1.00 0.00 H new ATOM 0 HD3 LYS B 29 16.633 -4.527 8.161 1.00 0.00 H new ATOM 0 HE2 LYS B 29 15.321 -4.037 9.978 1.00 0.00 H new ATOM 0 HE3 LYS B 29 13.972 -4.095 8.862 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 13.608 -5.563 10.753 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 13.727 -6.474 9.325 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 15.034 -6.417 10.407 1.00 0.00 H new ATOM 1957 N SER B 30 17.298 -4.510 2.959 1.00 0.00 N ATOM 1958 CA SER B 30 18.274 -3.944 1.982 1.00 0.00 C ATOM 1959 C SER B 30 17.599 -3.801 0.615 1.00 0.00 C ATOM 1960 O SER B 30 17.816 -2.839 -0.096 1.00 0.00 O ATOM 1961 CB SER B 30 19.482 -4.875 1.861 1.00 0.00 C ATOM 1962 OG SER B 30 19.209 -5.877 0.889 1.00 0.00 O ATOM 0 H SER B 30 17.443 -5.491 3.196 1.00 0.00 H new ATOM 0 HA SER B 30 18.608 -2.966 2.329 1.00 0.00 H new ATOM 0 HB2 SER B 30 20.367 -4.306 1.575 1.00 0.00 H new ATOM 0 HB3 SER B 30 19.698 -5.336 2.825 1.00 0.00 H new ATOM 0 HG SER B 30 19.982 -6.474 0.808 1.00 0.00 H new ATOM 1968 N GLU B 31 16.771 -4.742 0.246 1.00 0.00 N ATOM 1969 CA GLU B 31 16.073 -4.645 -1.064 1.00 0.00 C ATOM 1970 C GLU B 31 14.811 -3.812 -0.865 1.00 0.00 C ATOM 1971 O GLU B 31 14.254 -3.270 -1.797 1.00 0.00 O ATOM 1972 CB GLU B 31 15.696 -6.044 -1.555 1.00 0.00 C ATOM 1973 CG GLU B 31 15.554 -6.035 -3.078 1.00 0.00 C ATOM 1974 CD GLU B 31 15.781 -7.449 -3.616 1.00 0.00 C ATOM 1975 OE1 GLU B 31 16.231 -8.287 -2.853 1.00 0.00 O ATOM 1976 OE2 GLU B 31 15.502 -7.670 -4.783 1.00 0.00 O ATOM 0 H GLU B 31 16.550 -5.572 0.796 1.00 0.00 H new ATOM 0 HA GLU B 31 16.722 -4.179 -1.805 1.00 0.00 H new ATOM 0 HB2 GLU B 31 16.459 -6.763 -1.255 1.00 0.00 H new ATOM 0 HB3 GLU B 31 14.760 -6.362 -1.095 1.00 0.00 H new ATOM 0 HG2 GLU B 31 14.562 -5.681 -3.360 1.00 0.00 H new ATOM 0 HG3 GLU B 31 16.275 -5.346 -3.518 1.00 0.00 H new ATOM 1983 N LEU B 32 14.372 -3.689 0.356 1.00 0.00 N ATOM 1984 CA LEU B 32 13.168 -2.868 0.634 1.00 0.00 C ATOM 1985 C LEU B 32 13.610 -1.406 0.654 1.00 0.00 C ATOM 1986 O LEU B 32 12.879 -0.516 0.278 1.00 0.00 O ATOM 1987 CB LEU B 32 12.582 -3.254 1.996 1.00 0.00 C ATOM 1988 CG LEU B 32 11.630 -2.157 2.477 1.00 0.00 C ATOM 1989 CD1 LEU B 32 10.577 -1.887 1.403 1.00 0.00 C ATOM 1990 CD2 LEU B 32 10.937 -2.610 3.765 1.00 0.00 C ATOM 0 H LEU B 32 14.799 -4.124 1.174 1.00 0.00 H new ATOM 0 HA LEU B 32 12.404 -3.029 -0.126 1.00 0.00 H new ATOM 0 HB2 LEU B 32 12.050 -4.202 1.918 1.00 0.00 H new ATOM 0 HB3 LEU B 32 13.384 -3.397 2.721 1.00 0.00 H new ATOM 0 HG LEU B 32 12.196 -1.246 2.669 1.00 0.00 H new ATOM 0 HD11 LEU B 32 9.899 -1.105 1.746 1.00 0.00 H new ATOM 0 HD12 LEU B 32 11.068 -1.564 0.485 1.00 0.00 H new ATOM 0 HD13 LEU B 32 10.012 -2.799 1.210 1.00 0.00 H new ATOM 0 HD21 LEU B 32 10.259 -1.828 4.108 1.00 0.00 H new ATOM 0 HD22 LEU B 32 10.372 -3.522 3.573 1.00 0.00 H new ATOM 0 HD23 LEU B 32 11.686 -2.802 4.533 1.00 0.00 H new ATOM 2002 N LYS B 33 14.823 -1.170 1.078 1.00 0.00 N ATOM 2003 CA LYS B 33 15.358 0.219 1.118 1.00 0.00 C ATOM 2004 C LYS B 33 15.478 0.735 -0.311 1.00 0.00 C ATOM 2005 O LYS B 33 15.115 1.854 -0.615 1.00 0.00 O ATOM 2006 CB LYS B 33 16.741 0.203 1.770 1.00 0.00 C ATOM 2007 CG LYS B 33 17.077 1.601 2.297 1.00 0.00 C ATOM 2008 CD LYS B 33 17.925 2.347 1.265 1.00 0.00 C ATOM 2009 CE LYS B 33 19.368 1.840 1.324 1.00 0.00 C ATOM 2010 NZ LYS B 33 20.145 2.670 2.288 1.00 0.00 N ATOM 0 H LYS B 33 15.471 -1.888 1.401 1.00 0.00 H new ATOM 0 HA LYS B 33 14.693 0.864 1.692 1.00 0.00 H new ATOM 0 HB2 LYS B 33 16.761 -0.519 2.586 1.00 0.00 H new ATOM 0 HB3 LYS B 33 17.492 -0.114 1.046 1.00 0.00 H new ATOM 0 HG2 LYS B 33 16.160 2.155 2.498 1.00 0.00 H new ATOM 0 HG3 LYS B 33 17.617 1.525 3.241 1.00 0.00 H new ATOM 0 HD2 LYS B 33 17.516 2.196 0.266 1.00 0.00 H new ATOM 0 HD3 LYS B 33 17.897 3.419 1.462 1.00 0.00 H new ATOM 0 HE2 LYS B 33 19.385 0.794 1.631 1.00 0.00 H new ATOM 0 HE3 LYS B 33 19.823 1.890 0.335 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 21.126 2.327 2.329 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 20.138 3.662 1.976 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 19.714 2.601 3.232 1.00 0.00 H new ATOM 2024 N GLU B 34 15.973 -0.086 -1.192 1.00 0.00 N ATOM 2025 CA GLU B 34 16.108 0.334 -2.609 1.00 0.00 C ATOM 2026 C GLU B 34 14.706 0.424 -3.208 1.00 0.00 C ATOM 2027 O GLU B 34 14.371 1.342 -3.927 1.00 0.00 O ATOM 2028 CB GLU B 34 16.956 -0.706 -3.361 1.00 0.00 C ATOM 2029 CG GLU B 34 16.097 -1.899 -3.796 1.00 0.00 C ATOM 2030 CD GLU B 34 16.903 -2.786 -4.748 1.00 0.00 C ATOM 2031 OE1 GLU B 34 17.806 -3.460 -4.279 1.00 0.00 O ATOM 2032 OE2 GLU B 34 16.605 -2.776 -5.931 1.00 0.00 O ATOM 0 H GLU B 34 16.291 -1.034 -0.989 1.00 0.00 H new ATOM 0 HA GLU B 34 16.601 1.303 -2.688 1.00 0.00 H new ATOM 0 HB2 GLU B 34 17.414 -0.244 -4.236 1.00 0.00 H new ATOM 0 HB3 GLU B 34 17.768 -1.051 -2.721 1.00 0.00 H new ATOM 0 HG2 GLU B 34 15.784 -2.473 -2.924 1.00 0.00 H new ATOM 0 HG3 GLU B 34 15.190 -1.548 -4.289 1.00 0.00 H new ATOM 2039 N LEU B 35 13.886 -0.531 -2.888 1.00 0.00 N ATOM 2040 CA LEU B 35 12.493 -0.539 -3.404 1.00 0.00 C ATOM 2041 C LEU B 35 11.886 0.862 -3.258 1.00 0.00 C ATOM 2042 O LEU B 35 11.230 1.358 -4.151 1.00 0.00 O ATOM 2043 CB LEU B 35 11.671 -1.548 -2.594 1.00 0.00 C ATOM 2044 CG LEU B 35 10.817 -2.396 -3.538 1.00 0.00 C ATOM 2045 CD1 LEU B 35 9.879 -1.488 -4.335 1.00 0.00 C ATOM 2046 CD2 LEU B 35 11.728 -3.159 -4.504 1.00 0.00 C ATOM 0 H LEU B 35 14.124 -1.317 -2.283 1.00 0.00 H new ATOM 0 HA LEU B 35 12.487 -0.822 -4.457 1.00 0.00 H new ATOM 0 HB2 LEU B 35 12.334 -2.189 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.032 -1.024 -1.883 1.00 0.00 H new ATOM 0 HG LEU B 35 10.228 -3.104 -2.955 1.00 0.00 H new ATOM 0 HD11 LEU B 35 9.271 -2.093 -5.007 1.00 0.00 H new ATOM 0 HD12 LEU B 35 9.230 -0.944 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU B 35 10.467 -0.779 -4.917 1.00 0.00 H new ATOM 0 HD21 LEU B 35 11.120 -3.763 -5.177 1.00 0.00 H new ATOM 0 HD22 LEU B 35 12.317 -2.450 -5.086 1.00 0.00 H new ATOM 0 HD23 LEU B 35 12.397 -3.808 -3.938 1.00 0.00 H new ATOM 2058 N ILE B 36 12.100 1.503 -2.140 1.00 0.00 N ATOM 2059 CA ILE B 36 11.530 2.868 -1.944 1.00 0.00 C ATOM 2060 C ILE B 36 12.394 3.904 -2.668 1.00 0.00 C ATOM 2061 O ILE B 36 11.919 4.647 -3.505 1.00 0.00 O ATOM 2062 CB ILE B 36 11.493 3.214 -0.452 1.00 0.00 C ATOM 2063 CG1 ILE B 36 11.406 1.929 0.380 1.00 0.00 C ATOM 2064 CG2 ILE B 36 10.277 4.100 -0.170 1.00 0.00 C ATOM 2065 CD1 ILE B 36 10.919 2.254 1.797 1.00 0.00 C ATOM 0 H ILE B 36 12.643 1.142 -1.356 1.00 0.00 H new ATOM 0 HA ILE B 36 10.518 2.881 -2.349 1.00 0.00 H new ATOM 0 HB ILE B 36 12.403 3.748 -0.180 1.00 0.00 H new ATOM 0 HG12 ILE B 36 10.724 1.224 -0.095 1.00 0.00 H new ATOM 0 HG13 ILE B 36 12.383 1.447 0.424 1.00 0.00 H new ATOM 0 HG21 ILE B 36 10.246 4.349 0.891 1.00 0.00 H new ATOM 0 HG22 ILE B 36 10.351 5.016 -0.756 1.00 0.00 H new ATOM 0 HG23 ILE B 36 9.367 3.567 -0.444 1.00 0.00 H new ATOM 0 HD11 ILE B 36 10.860 1.336 2.381 1.00 0.00 H new ATOM 0 HD12 ILE B 36 11.617 2.942 2.273 1.00 0.00 H new ATOM 0 HD13 ILE B 36 9.933 2.715 1.746 1.00 0.00 H new ATOM 2077 N ASN B 37 13.652 3.975 -2.336 1.00 0.00 N ATOM 2078 CA ASN B 37 14.542 4.978 -2.988 1.00 0.00 C ATOM 2079 C ASN B 37 14.899 4.538 -4.412 1.00 0.00 C ATOM 2080 O ASN B 37 14.604 5.219 -5.373 1.00 0.00 O ATOM 2081 CB ASN B 37 15.828 5.124 -2.172 1.00 0.00 C ATOM 2082 CG ASN B 37 16.634 6.315 -2.696 1.00 0.00 C ATOM 2083 OD1 ASN B 37 17.648 6.141 -3.342 1.00 0.00 O ATOM 2084 ND2 ASN B 37 16.222 7.529 -2.444 1.00 0.00 N ATOM 0 H ASN B 37 14.104 3.382 -1.640 1.00 0.00 H new ATOM 0 HA ASN B 37 14.016 5.932 -3.034 1.00 0.00 H new ATOM 0 HB2 ASN B 37 15.588 5.269 -1.119 1.00 0.00 H new ATOM 0 HB3 ASN B 37 16.421 4.212 -2.241 1.00 0.00 H new ATOM 0 HD21 ASN B 37 16.752 8.329 -2.790 1.00 0.00 H new ATOM 0 HD22 ASN B 37 15.371 7.676 -1.902 1.00 0.00 H new ATOM 2091 N ASN B 38 15.547 3.415 -4.555 1.00 0.00 N ATOM 2092 CA ASN B 38 15.940 2.949 -5.916 1.00 0.00 C ATOM 2093 C ASN B 38 14.731 2.974 -6.856 1.00 0.00 C ATOM 2094 O ASN B 38 14.875 3.137 -8.052 1.00 0.00 O ATOM 2095 CB ASN B 38 16.497 1.525 -5.834 1.00 0.00 C ATOM 2096 CG ASN B 38 16.839 1.031 -7.240 1.00 0.00 C ATOM 2097 OD1 ASN B 38 17.986 1.054 -7.644 1.00 0.00 O ATOM 2098 ND2 ASN B 38 15.885 0.582 -8.008 1.00 0.00 N ATOM 0 H ASN B 38 15.822 2.800 -3.789 1.00 0.00 H new ATOM 0 HA ASN B 38 16.706 3.618 -6.308 1.00 0.00 H new ATOM 0 HB2 ASN B 38 17.386 1.506 -5.204 1.00 0.00 H new ATOM 0 HB3 ASN B 38 15.765 0.863 -5.372 1.00 0.00 H new ATOM 0 HD21 ASN B 38 16.101 0.250 -8.948 1.00 0.00 H new ATOM 0 HD22 ASN B 38 14.923 0.563 -7.669 1.00 0.00 H new ATOM 2105 N GLU B 39 13.543 2.808 -6.339 1.00 0.00 N ATOM 2106 CA GLU B 39 12.347 2.819 -7.228 1.00 0.00 C ATOM 2107 C GLU B 39 11.628 4.170 -7.132 1.00 0.00 C ATOM 2108 O GLU B 39 11.642 4.956 -8.059 1.00 0.00 O ATOM 2109 CB GLU B 39 11.386 1.703 -6.811 1.00 0.00 C ATOM 2110 CG GLU B 39 10.930 0.937 -8.054 1.00 0.00 C ATOM 2111 CD GLU B 39 11.574 -0.450 -8.067 1.00 0.00 C ATOM 2112 OE1 GLU B 39 12.768 -0.529 -7.828 1.00 0.00 O ATOM 2113 OE2 GLU B 39 10.862 -1.410 -8.313 1.00 0.00 O ATOM 0 H GLU B 39 13.350 2.666 -5.347 1.00 0.00 H new ATOM 0 HA GLU B 39 12.672 2.659 -8.256 1.00 0.00 H new ATOM 0 HB2 GLU B 39 11.878 1.026 -6.113 1.00 0.00 H new ATOM 0 HB3 GLU B 39 10.524 2.124 -6.293 1.00 0.00 H new ATOM 0 HG2 GLU B 39 9.844 0.845 -8.059 1.00 0.00 H new ATOM 0 HG3 GLU B 39 11.207 1.486 -8.954 1.00 0.00 H new ATOM 2120 N LEU B 40 10.990 4.442 -6.026 1.00 0.00 N ATOM 2121 CA LEU B 40 10.261 5.731 -5.881 1.00 0.00 C ATOM 2122 C LEU B 40 11.263 6.888 -5.744 1.00 0.00 C ATOM 2123 O LEU B 40 11.805 7.366 -6.721 1.00 0.00 O ATOM 2124 CB LEU B 40 9.367 5.656 -4.642 1.00 0.00 C ATOM 2125 CG LEU B 40 8.360 4.516 -4.810 1.00 0.00 C ATOM 2126 CD1 LEU B 40 7.444 4.452 -3.585 1.00 0.00 C ATOM 2127 CD2 LEU B 40 7.516 4.763 -6.061 1.00 0.00 C ATOM 0 H LEU B 40 10.943 3.824 -5.216 1.00 0.00 H new ATOM 0 HA LEU B 40 9.647 5.910 -6.764 1.00 0.00 H new ATOM 0 HB2 LEU B 40 9.974 5.492 -3.752 1.00 0.00 H new ATOM 0 HB3 LEU B 40 8.843 6.601 -4.500 1.00 0.00 H new ATOM 0 HG LEU B 40 8.897 3.573 -4.910 1.00 0.00 H new ATOM 0 HD11 LEU B 40 6.728 3.639 -3.708 1.00 0.00 H new ATOM 0 HD12 LEU B 40 8.043 4.276 -2.692 1.00 0.00 H new ATOM 0 HD13 LEU B 40 6.908 5.395 -3.482 1.00 0.00 H new ATOM 0 HD21 LEU B 40 6.798 3.952 -6.182 1.00 0.00 H new ATOM 0 HD22 LEU B 40 6.982 5.708 -5.959 1.00 0.00 H new ATOM 0 HD23 LEU B 40 8.165 4.806 -6.935 1.00 0.00 H new ATOM 2139 N SER B 41 11.512 7.345 -4.545 1.00 0.00 N ATOM 2140 CA SER B 41 12.475 8.469 -4.364 1.00 0.00 C ATOM 2141 C SER B 41 12.009 9.682 -5.171 1.00 0.00 C ATOM 2142 O SER B 41 12.763 10.603 -5.416 1.00 0.00 O ATOM 2143 CB SER B 41 13.859 8.039 -4.852 1.00 0.00 C ATOM 2144 OG SER B 41 14.837 8.933 -4.338 1.00 0.00 O ATOM 0 H SER B 41 11.091 6.990 -3.686 1.00 0.00 H new ATOM 0 HA SER B 41 12.525 8.733 -3.308 1.00 0.00 H new ATOM 0 HB2 SER B 41 14.072 7.021 -4.525 1.00 0.00 H new ATOM 0 HB3 SER B 41 13.889 8.037 -5.942 1.00 0.00 H new ATOM 0 HG SER B 41 14.554 9.857 -4.503 1.00 0.00 H new ATOM 2150 N HIS B 42 10.772 9.693 -5.588 1.00 0.00 N ATOM 2151 CA HIS B 42 10.269 10.852 -6.379 1.00 0.00 C ATOM 2152 C HIS B 42 9.783 11.944 -5.423 1.00 0.00 C ATOM 2153 O HIS B 42 10.290 13.050 -5.422 1.00 0.00 O ATOM 2154 CB HIS B 42 9.115 10.398 -7.274 1.00 0.00 C ATOM 2155 CG HIS B 42 9.594 10.315 -8.699 1.00 0.00 C ATOM 2156 ND1 HIS B 42 10.373 9.264 -9.157 1.00 0.00 N ATOM 2157 CD2 HIS B 42 9.417 11.148 -9.775 1.00 0.00 C ATOM 2158 CE1 HIS B 42 10.634 9.489 -10.458 1.00 0.00 C ATOM 2159 NE2 HIS B 42 10.075 10.624 -10.885 1.00 0.00 N ATOM 0 H HIS B 42 10.091 8.953 -5.416 1.00 0.00 H new ATOM 0 HA HIS B 42 11.072 11.246 -7.002 1.00 0.00 H new ATOM 0 HB2 HIS B 42 8.745 9.427 -6.945 1.00 0.00 H new ATOM 0 HB3 HIS B 42 8.283 11.098 -7.198 1.00 0.00 H new ATOM 0 HD2 HIS B 42 8.853 12.069 -9.763 1.00 0.00 H new ATOM 0 HE1 HIS B 42 11.223 8.832 -11.080 1.00 0.00 H new ATOM 0 HE2 HIS B 42 10.120 11.022 -11.823 1.00 0.00 H new ATOM 2167 N PHE B 43 8.811 11.646 -4.604 1.00 0.00 N ATOM 2168 CA PHE B 43 8.309 12.670 -3.646 1.00 0.00 C ATOM 2169 C PHE B 43 9.447 13.059 -2.691 1.00 0.00 C ATOM 2170 O PHE B 43 10.396 13.708 -3.088 1.00 0.00 O ATOM 2171 CB PHE B 43 7.125 12.096 -2.859 1.00 0.00 C ATOM 2172 CG PHE B 43 6.036 11.673 -3.814 1.00 0.00 C ATOM 2173 CD1 PHE B 43 5.611 12.545 -4.823 1.00 0.00 C ATOM 2174 CD2 PHE B 43 5.451 10.405 -3.691 1.00 0.00 C ATOM 2175 CE1 PHE B 43 4.601 12.150 -5.708 1.00 0.00 C ATOM 2176 CE2 PHE B 43 4.440 10.012 -4.576 1.00 0.00 C ATOM 2177 CZ PHE B 43 4.016 10.884 -5.585 1.00 0.00 C ATOM 0 H PHE B 43 8.344 10.740 -4.557 1.00 0.00 H new ATOM 0 HA PHE B 43 7.974 13.556 -4.185 1.00 0.00 H new ATOM 0 HB2 PHE B 43 7.451 11.243 -2.263 1.00 0.00 H new ATOM 0 HB3 PHE B 43 6.742 12.843 -2.163 1.00 0.00 H new ATOM 0 HD1 PHE B 43 6.062 13.522 -4.919 1.00 0.00 H new ATOM 0 HD2 PHE B 43 5.780 9.731 -2.914 1.00 0.00 H new ATOM 0 HE1 PHE B 43 4.273 12.823 -6.487 1.00 0.00 H new ATOM 0 HE2 PHE B 43 3.987 9.036 -4.480 1.00 0.00 H new ATOM 0 HZ PHE B 43 3.237 10.580 -6.269 1.00 0.00 H new ATOM 2187 N LEU B 44 9.373 12.662 -1.445 1.00 0.00 N ATOM 2188 CA LEU B 44 10.457 13.004 -0.480 1.00 0.00 C ATOM 2189 C LEU B 44 10.941 14.437 -0.714 1.00 0.00 C ATOM 2190 O LEU B 44 11.823 14.684 -1.514 1.00 0.00 O ATOM 2191 CB LEU B 44 11.627 12.035 -0.668 1.00 0.00 C ATOM 2192 CG LEU B 44 12.055 11.485 0.693 1.00 0.00 C ATOM 2193 CD1 LEU B 44 11.540 10.053 0.852 1.00 0.00 C ATOM 2194 CD2 LEU B 44 13.582 11.492 0.786 1.00 0.00 C ATOM 0 H LEU B 44 8.606 12.114 -1.056 1.00 0.00 H new ATOM 0 HA LEU B 44 10.068 12.923 0.535 1.00 0.00 H new ATOM 0 HB2 LEU B 44 11.334 11.218 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU B 44 12.463 12.546 -1.146 1.00 0.00 H new ATOM 0 HG LEU B 44 11.639 12.109 1.484 1.00 0.00 H new ATOM 0 HD11 LEU B 44 11.846 9.662 1.822 1.00 0.00 H new ATOM 0 HD12 LEU B 44 10.452 10.048 0.785 1.00 0.00 H new ATOM 0 HD13 LEU B 44 11.955 9.427 0.062 1.00 0.00 H new ATOM 0 HD21 LEU B 44 13.889 11.100 1.756 1.00 0.00 H new ATOM 0 HD22 LEU B 44 13.998 10.868 -0.006 1.00 0.00 H new ATOM 0 HD23 LEU B 44 13.949 12.512 0.674 1.00 0.00 H new ATOM 2206 N GLU B 45 10.376 15.383 -0.016 1.00 0.00 N ATOM 2207 CA GLU B 45 10.807 16.799 -0.190 1.00 0.00 C ATOM 2208 C GLU B 45 11.459 17.280 1.105 1.00 0.00 C ATOM 2209 O GLU B 45 12.667 17.308 1.231 1.00 0.00 O ATOM 2210 CB GLU B 45 9.590 17.670 -0.509 1.00 0.00 C ATOM 2211 CG GLU B 45 8.941 17.181 -1.804 1.00 0.00 C ATOM 2212 CD GLU B 45 8.970 18.302 -2.845 1.00 0.00 C ATOM 2213 OE1 GLU B 45 8.038 19.089 -2.864 1.00 0.00 O ATOM 2214 OE2 GLU B 45 9.925 18.354 -3.603 1.00 0.00 O ATOM 0 H GLU B 45 9.634 15.237 0.668 1.00 0.00 H new ATOM 0 HA GLU B 45 11.521 16.871 -1.011 1.00 0.00 H new ATOM 0 HB2 GLU B 45 8.872 17.625 0.310 1.00 0.00 H new ATOM 0 HB3 GLU B 45 9.892 18.712 -0.612 1.00 0.00 H new ATOM 0 HG2 GLU B 45 9.471 16.306 -2.181 1.00 0.00 H new ATOM 0 HG3 GLU B 45 7.913 16.873 -1.614 1.00 0.00 H new ATOM 2221 N GLU B 46 10.667 17.644 2.071 1.00 0.00 N ATOM 2222 CA GLU B 46 11.224 18.108 3.361 1.00 0.00 C ATOM 2223 C GLU B 46 10.918 17.040 4.421 1.00 0.00 C ATOM 2224 O GLU B 46 11.528 16.996 5.471 1.00 0.00 O ATOM 2225 CB GLU B 46 10.572 19.454 3.719 1.00 0.00 C ATOM 2226 CG GLU B 46 10.466 19.612 5.234 1.00 0.00 C ATOM 2227 CD GLU B 46 10.622 21.088 5.606 1.00 0.00 C ATOM 2228 OE1 GLU B 46 10.046 21.916 4.920 1.00 0.00 O ATOM 2229 OE2 GLU B 46 11.316 21.364 6.570 1.00 0.00 O ATOM 0 H GLU B 46 9.648 17.639 2.018 1.00 0.00 H new ATOM 0 HA GLU B 46 12.303 18.252 3.306 1.00 0.00 H new ATOM 0 HB2 GLU B 46 11.160 20.272 3.303 1.00 0.00 H new ATOM 0 HB3 GLU B 46 9.580 19.515 3.271 1.00 0.00 H new ATOM 0 HG2 GLU B 46 9.503 19.238 5.583 1.00 0.00 H new ATOM 0 HG3 GLU B 46 11.236 19.019 5.727 1.00 0.00 H new ATOM 2236 N ILE B 47 9.981 16.173 4.139 1.00 0.00 N ATOM 2237 CA ILE B 47 9.627 15.095 5.106 1.00 0.00 C ATOM 2238 C ILE B 47 8.824 15.682 6.269 1.00 0.00 C ATOM 2239 O ILE B 47 9.371 16.253 7.190 1.00 0.00 O ATOM 2240 CB ILE B 47 10.902 14.441 5.646 1.00 0.00 C ATOM 2241 CG1 ILE B 47 11.861 14.150 4.485 1.00 0.00 C ATOM 2242 CG2 ILE B 47 10.542 13.129 6.345 1.00 0.00 C ATOM 2243 CD1 ILE B 47 13.256 13.854 5.036 1.00 0.00 C ATOM 0 H ILE B 47 9.442 16.167 3.273 1.00 0.00 H new ATOM 0 HA ILE B 47 9.025 14.345 4.594 1.00 0.00 H new ATOM 0 HB ILE B 47 11.383 15.115 6.355 1.00 0.00 H new ATOM 0 HG12 ILE B 47 11.500 13.300 3.906 1.00 0.00 H new ATOM 0 HG13 ILE B 47 11.899 15.004 3.809 1.00 0.00 H new ATOM 0 HG21 ILE B 47 11.448 12.661 6.730 1.00 0.00 H new ATOM 0 HG22 ILE B 47 9.859 13.332 7.170 1.00 0.00 H new ATOM 0 HG23 ILE B 47 10.062 12.457 5.633 1.00 0.00 H new ATOM 0 HD11 ILE B 47 13.937 13.647 4.210 1.00 0.00 H new ATOM 0 HD12 ILE B 47 13.616 14.717 5.596 1.00 0.00 H new ATOM 0 HD13 ILE B 47 13.211 12.987 5.695 1.00 0.00 H new ATOM 2255 N LYS B 48 7.526 15.534 6.237 1.00 0.00 N ATOM 2256 CA LYS B 48 6.686 16.072 7.345 1.00 0.00 C ATOM 2257 C LYS B 48 6.546 14.997 8.423 1.00 0.00 C ATOM 2258 O LYS B 48 6.676 15.265 9.601 1.00 0.00 O ATOM 2259 CB LYS B 48 5.302 16.439 6.808 1.00 0.00 C ATOM 2260 CG LYS B 48 4.380 16.802 7.974 1.00 0.00 C ATOM 2261 CD LYS B 48 3.196 17.619 7.451 1.00 0.00 C ATOM 2262 CE LYS B 48 3.054 18.901 8.273 1.00 0.00 C ATOM 2263 NZ LYS B 48 4.195 19.813 7.974 1.00 0.00 N ATOM 0 H LYS B 48 7.012 15.064 5.492 1.00 0.00 H new ATOM 0 HA LYS B 48 7.154 16.962 7.765 1.00 0.00 H new ATOM 0 HB2 LYS B 48 5.380 17.279 6.117 1.00 0.00 H new ATOM 0 HB3 LYS B 48 4.884 15.603 6.248 1.00 0.00 H new ATOM 0 HG2 LYS B 48 4.023 15.897 8.465 1.00 0.00 H new ATOM 0 HG3 LYS B 48 4.929 17.374 8.722 1.00 0.00 H new ATOM 0 HD2 LYS B 48 3.346 17.864 6.400 1.00 0.00 H new ATOM 0 HD3 LYS B 48 2.280 17.032 7.514 1.00 0.00 H new ATOM 0 HE2 LYS B 48 2.110 19.393 8.038 1.00 0.00 H new ATOM 0 HE3 LYS B 48 3.034 18.663 9.337 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 3.937 20.787 8.231 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 5.028 19.519 8.523 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 4.417 19.770 6.959 1.00 0.00 H new ATOM 2277 N GLU B 49 6.291 13.780 8.026 1.00 0.00 N ATOM 2278 CA GLU B 49 6.156 12.683 9.024 1.00 0.00 C ATOM 2279 C GLU B 49 7.551 12.161 9.373 1.00 0.00 C ATOM 2280 O GLU B 49 7.917 11.058 9.020 1.00 0.00 O ATOM 2281 CB GLU B 49 5.318 11.543 8.434 1.00 0.00 C ATOM 2282 CG GLU B 49 3.859 11.699 8.876 1.00 0.00 C ATOM 2283 CD GLU B 49 3.731 11.323 10.353 1.00 0.00 C ATOM 2284 OE1 GLU B 49 4.696 10.814 10.899 1.00 0.00 O ATOM 2285 OE2 GLU B 49 2.670 11.550 10.913 1.00 0.00 O ATOM 0 H GLU B 49 6.170 13.499 7.053 1.00 0.00 H new ATOM 0 HA GLU B 49 5.662 13.060 9.920 1.00 0.00 H new ATOM 0 HB2 GLU B 49 5.383 11.555 7.346 1.00 0.00 H new ATOM 0 HB3 GLU B 49 5.709 10.581 8.766 1.00 0.00 H new ATOM 0 HG2 GLU B 49 3.529 12.726 8.721 1.00 0.00 H new ATOM 0 HG3 GLU B 49 3.214 11.062 8.270 1.00 0.00 H new ATOM 2292 N GLN B 50 8.334 12.949 10.057 1.00 0.00 N ATOM 2293 CA GLN B 50 9.705 12.503 10.422 1.00 0.00 C ATOM 2294 C GLN B 50 9.636 11.124 11.081 1.00 0.00 C ATOM 2295 O GLN B 50 10.594 10.381 11.083 1.00 0.00 O ATOM 2296 CB GLN B 50 10.321 13.505 11.401 1.00 0.00 C ATOM 2297 CG GLN B 50 11.848 13.403 11.347 1.00 0.00 C ATOM 2298 CD GLN B 50 12.450 14.803 11.214 1.00 0.00 C ATOM 2299 OE1 GLN B 50 13.157 15.086 10.267 1.00 0.00 O ATOM 2300 NE2 GLN B 50 12.199 15.699 12.130 1.00 0.00 N ATOM 0 H GLN B 50 8.082 13.884 10.379 1.00 0.00 H new ATOM 0 HA GLN B 50 10.320 12.445 9.524 1.00 0.00 H new ATOM 0 HB2 GLN B 50 10.005 14.517 11.148 1.00 0.00 H new ATOM 0 HB3 GLN B 50 9.968 13.304 12.413 1.00 0.00 H new ATOM 0 HG2 GLN B 50 12.223 12.919 12.249 1.00 0.00 H new ATOM 0 HG3 GLN B 50 12.152 12.784 10.503 1.00 0.00 H new ATOM 0 HE21 GLN B 50 11.606 15.463 12.925 1.00 0.00 H new ATOM 0 HE22 GLN B 50 12.596 16.635 12.050 1.00 0.00 H new ATOM 2309 N GLU B 51 8.511 10.781 11.646 1.00 0.00 N ATOM 2310 CA GLU B 51 8.389 9.452 12.313 1.00 0.00 C ATOM 2311 C GLU B 51 8.142 8.361 11.268 1.00 0.00 C ATOM 2312 O GLU B 51 8.620 7.253 11.395 1.00 0.00 O ATOM 2313 CB GLU B 51 7.222 9.482 13.301 1.00 0.00 C ATOM 2314 CG GLU B 51 7.706 9.026 14.678 1.00 0.00 C ATOM 2315 CD GLU B 51 6.507 8.882 15.619 1.00 0.00 C ATOM 2316 OE1 GLU B 51 5.921 7.812 15.640 1.00 0.00 O ATOM 2317 OE2 GLU B 51 6.195 9.844 16.301 1.00 0.00 O ATOM 0 H GLU B 51 7.673 11.361 11.675 1.00 0.00 H new ATOM 0 HA GLU B 51 9.315 9.235 12.845 1.00 0.00 H new ATOM 0 HB2 GLU B 51 6.811 10.490 13.364 1.00 0.00 H new ATOM 0 HB3 GLU B 51 6.420 8.832 12.952 1.00 0.00 H new ATOM 0 HG2 GLU B 51 8.232 8.075 14.594 1.00 0.00 H new ATOM 0 HG3 GLU B 51 8.415 9.748 15.083 1.00 0.00 H new ATOM 2324 N VAL B 52 7.395 8.657 10.243 1.00 0.00 N ATOM 2325 CA VAL B 52 7.119 7.624 9.208 1.00 0.00 C ATOM 2326 C VAL B 52 8.380 7.373 8.380 1.00 0.00 C ATOM 2327 O VAL B 52 8.710 6.246 8.067 1.00 0.00 O ATOM 2328 CB VAL B 52 5.995 8.107 8.292 1.00 0.00 C ATOM 2329 CG1 VAL B 52 5.608 6.992 7.322 1.00 0.00 C ATOM 2330 CG2 VAL B 52 4.778 8.483 9.138 1.00 0.00 C ATOM 0 H VAL B 52 6.965 9.567 10.077 1.00 0.00 H new ATOM 0 HA VAL B 52 6.818 6.697 9.696 1.00 0.00 H new ATOM 0 HB VAL B 52 6.336 8.976 7.730 1.00 0.00 H new ATOM 0 HG11 VAL B 52 4.806 7.339 6.670 1.00 0.00 H new ATOM 0 HG12 VAL B 52 6.473 6.718 6.719 1.00 0.00 H new ATOM 0 HG13 VAL B 52 5.268 6.122 7.884 1.00 0.00 H new ATOM 0 HG21 VAL B 52 3.975 8.828 8.487 1.00 0.00 H new ATOM 0 HG22 VAL B 52 4.441 7.611 9.699 1.00 0.00 H new ATOM 0 HG23 VAL B 52 5.049 9.278 9.832 1.00 0.00 H new ATOM 2340 N VAL B 53 9.087 8.407 8.019 1.00 0.00 N ATOM 2341 CA VAL B 53 10.321 8.210 7.210 1.00 0.00 C ATOM 2342 C VAL B 53 11.463 7.762 8.116 1.00 0.00 C ATOM 2343 O VAL B 53 12.311 6.986 7.720 1.00 0.00 O ATOM 2344 CB VAL B 53 10.700 9.520 6.516 1.00 0.00 C ATOM 2345 CG1 VAL B 53 12.033 9.345 5.786 1.00 0.00 C ATOM 2346 CG2 VAL B 53 9.613 9.897 5.506 1.00 0.00 C ATOM 0 H VAL B 53 8.865 9.376 8.248 1.00 0.00 H new ATOM 0 HA VAL B 53 10.136 7.445 6.456 1.00 0.00 H new ATOM 0 HB VAL B 53 10.794 10.310 7.261 1.00 0.00 H new ATOM 0 HG11 VAL B 53 12.302 10.278 5.292 1.00 0.00 H new ATOM 0 HG12 VAL B 53 12.808 9.077 6.504 1.00 0.00 H new ATOM 0 HG13 VAL B 53 11.939 8.554 5.042 1.00 0.00 H new ATOM 0 HG21 VAL B 53 9.883 10.830 5.012 1.00 0.00 H new ATOM 0 HG22 VAL B 53 9.518 9.106 4.762 1.00 0.00 H new ATOM 0 HG23 VAL B 53 8.663 10.023 6.024 1.00 0.00 H new ATOM 2356 N ASP B 54 11.494 8.231 9.332 1.00 0.00 N ATOM 2357 CA ASP B 54 12.586 7.808 10.247 1.00 0.00 C ATOM 2358 C ASP B 54 12.262 6.419 10.785 1.00 0.00 C ATOM 2359 O ASP B 54 13.126 5.704 11.239 1.00 0.00 O ATOM 2360 CB ASP B 54 12.711 8.790 11.414 1.00 0.00 C ATOM 2361 CG ASP B 54 13.144 10.161 10.889 1.00 0.00 C ATOM 2362 OD1 ASP B 54 13.320 10.285 9.688 1.00 0.00 O ATOM 2363 OD2 ASP B 54 13.293 11.063 11.696 1.00 0.00 O ATOM 0 H ASP B 54 10.817 8.883 9.728 1.00 0.00 H new ATOM 0 HA ASP B 54 13.530 7.791 9.702 1.00 0.00 H new ATOM 0 HB2 ASP B 54 11.757 8.874 11.935 1.00 0.00 H new ATOM 0 HB3 ASP B 54 13.438 8.420 12.137 1.00 0.00 H new ATOM 2368 N LYS B 55 11.015 6.032 10.741 1.00 0.00 N ATOM 2369 CA LYS B 55 10.637 4.689 11.251 1.00 0.00 C ATOM 2370 C LYS B 55 10.952 3.630 10.199 1.00 0.00 C ATOM 2371 O LYS B 55 11.548 2.613 10.490 1.00 0.00 O ATOM 2372 CB LYS B 55 9.141 4.665 11.572 1.00 0.00 C ATOM 2373 CG LYS B 55 8.754 3.278 12.083 1.00 0.00 C ATOM 2374 CD LYS B 55 9.739 2.849 13.170 1.00 0.00 C ATOM 2375 CE LYS B 55 9.168 1.651 13.930 1.00 0.00 C ATOM 2376 NZ LYS B 55 9.285 0.426 13.089 1.00 0.00 N ATOM 0 H LYS B 55 10.244 6.590 10.373 1.00 0.00 H new ATOM 0 HA LYS B 55 11.205 4.475 12.156 1.00 0.00 H new ATOM 0 HB2 LYS B 55 8.907 5.420 12.323 1.00 0.00 H new ATOM 0 HB3 LYS B 55 8.563 4.911 10.681 1.00 0.00 H new ATOM 0 HG2 LYS B 55 7.739 3.294 12.481 1.00 0.00 H new ATOM 0 HG3 LYS B 55 8.763 2.560 11.263 1.00 0.00 H new ATOM 0 HD2 LYS B 55 10.698 2.587 12.724 1.00 0.00 H new ATOM 0 HD3 LYS B 55 9.922 3.675 13.857 1.00 0.00 H new ATOM 0 HE2 LYS B 55 9.705 1.513 14.869 1.00 0.00 H new ATOM 0 HE3 LYS B 55 8.124 1.832 14.184 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 9.190 -0.418 13.690 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 8.533 0.425 12.370 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 10.213 0.414 12.620 1.00 0.00 H new ATOM 2390 N VAL B 56 10.554 3.849 8.976 1.00 0.00 N ATOM 2391 CA VAL B 56 10.837 2.838 7.926 1.00 0.00 C ATOM 2392 C VAL B 56 12.313 2.905 7.541 1.00 0.00 C ATOM 2393 O VAL B 56 12.948 1.898 7.295 1.00 0.00 O ATOM 2394 CB VAL B 56 9.965 3.114 6.703 1.00 0.00 C ATOM 2395 CG1 VAL B 56 8.524 2.694 7.003 1.00 0.00 C ATOM 2396 CG2 VAL B 56 9.999 4.607 6.357 1.00 0.00 C ATOM 0 H VAL B 56 10.049 4.678 8.663 1.00 0.00 H new ATOM 0 HA VAL B 56 10.611 1.842 8.306 1.00 0.00 H new ATOM 0 HB VAL B 56 10.347 2.544 5.856 1.00 0.00 H new ATOM 0 HG11 VAL B 56 7.899 2.890 6.132 1.00 0.00 H new ATOM 0 HG12 VAL B 56 8.496 1.630 7.237 1.00 0.00 H new ATOM 0 HG13 VAL B 56 8.149 3.263 7.854 1.00 0.00 H new ATOM 0 HG21 VAL B 56 9.374 4.792 5.484 1.00 0.00 H new ATOM 0 HG22 VAL B 56 9.623 5.185 7.201 1.00 0.00 H new ATOM 0 HG23 VAL B 56 11.024 4.907 6.140 1.00 0.00 H new ATOM 2406 N MET B 57 12.862 4.082 7.493 1.00 0.00 N ATOM 2407 CA MET B 57 14.298 4.222 7.133 1.00 0.00 C ATOM 2408 C MET B 57 15.158 3.747 8.303 1.00 0.00 C ATOM 2409 O MET B 57 16.297 3.371 8.127 1.00 0.00 O ATOM 2410 CB MET B 57 14.600 5.691 6.840 1.00 0.00 C ATOM 2411 CG MET B 57 16.010 5.832 6.259 1.00 0.00 C ATOM 2412 SD MET B 57 16.191 4.760 4.808 1.00 0.00 S ATOM 2413 CE MET B 57 15.153 5.717 3.674 1.00 0.00 C ATOM 0 H MET B 57 12.377 4.958 7.688 1.00 0.00 H new ATOM 0 HA MET B 57 14.520 3.621 6.251 1.00 0.00 H new ATOM 0 HB2 MET B 57 13.867 6.088 6.137 1.00 0.00 H new ATOM 0 HB3 MET B 57 14.515 6.277 7.755 1.00 0.00 H new ATOM 0 HG2 MET B 57 16.196 6.869 5.981 1.00 0.00 H new ATOM 0 HG3 MET B 57 16.751 5.566 7.013 1.00 0.00 H new ATOM 0 HE1 MET B 57 15.384 5.438 2.646 1.00 0.00 H new ATOM 0 HE2 MET B 57 14.103 5.510 3.879 1.00 0.00 H new ATOM 0 HE3 MET B 57 15.347 6.781 3.813 1.00 0.00 H new ATOM 2423 N GLU B 58 14.626 3.756 9.497 1.00 0.00 N ATOM 2424 CA GLU B 58 15.436 3.286 10.659 1.00 0.00 C ATOM 2425 C GLU B 58 15.467 1.759 10.655 1.00 0.00 C ATOM 2426 O GLU B 58 16.511 1.154 10.785 1.00 0.00 O ATOM 2427 CB GLU B 58 14.821 3.778 11.970 1.00 0.00 C ATOM 2428 CG GLU B 58 15.390 5.158 12.311 1.00 0.00 C ATOM 2429 CD GLU B 58 14.713 5.692 13.575 1.00 0.00 C ATOM 2430 OE1 GLU B 58 14.657 4.958 14.548 1.00 0.00 O ATOM 2431 OE2 GLU B 58 14.262 6.826 13.550 1.00 0.00 O ATOM 0 H GLU B 58 13.679 4.064 9.716 1.00 0.00 H new ATOM 0 HA GLU B 58 16.448 3.683 10.576 1.00 0.00 H new ATOM 0 HB2 GLU B 58 13.736 3.832 11.878 1.00 0.00 H new ATOM 0 HB3 GLU B 58 15.038 3.074 12.773 1.00 0.00 H new ATOM 0 HG2 GLU B 58 16.467 5.091 12.463 1.00 0.00 H new ATOM 0 HG3 GLU B 58 15.227 5.845 11.481 1.00 0.00 H new ATOM 2438 N THR B 59 14.335 1.125 10.487 1.00 0.00 N ATOM 2439 CA THR B 59 14.327 -0.364 10.451 1.00 0.00 C ATOM 2440 C THR B 59 15.078 -0.808 9.197 1.00 0.00 C ATOM 2441 O THR B 59 15.562 -1.918 9.099 1.00 0.00 O ATOM 2442 CB THR B 59 12.884 -0.875 10.398 1.00 0.00 C ATOM 2443 OG1 THR B 59 12.080 -0.117 11.292 1.00 0.00 O ATOM 2444 CG2 THR B 59 12.848 -2.350 10.802 1.00 0.00 C ATOM 0 H THR B 59 13.425 1.571 10.374 1.00 0.00 H new ATOM 0 HA THR B 59 14.805 -0.767 11.344 1.00 0.00 H new ATOM 0 HB THR B 59 12.498 -0.769 9.384 1.00 0.00 H new ATOM 0 HG1 THR B 59 11.826 0.729 10.867 1.00 0.00 H new ATOM 0 HG21 THR B 59 11.821 -2.713 10.764 1.00 0.00 H new ATOM 0 HG22 THR B 59 13.463 -2.931 10.115 1.00 0.00 H new ATOM 0 HG23 THR B 59 13.234 -2.459 11.815 1.00 0.00 H new ATOM 2452 N LEU B 60 15.181 0.073 8.240 1.00 0.00 N ATOM 2453 CA LEU B 60 15.903 -0.249 6.980 1.00 0.00 C ATOM 2454 C LEU B 60 17.411 -0.236 7.249 1.00 0.00 C ATOM 2455 O LEU B 60 18.102 -1.218 7.058 1.00 0.00 O ATOM 2456 CB LEU B 60 15.556 0.819 5.939 1.00 0.00 C ATOM 2457 CG LEU B 60 14.320 0.384 5.154 1.00 0.00 C ATOM 2458 CD1 LEU B 60 13.943 1.475 4.150 1.00 0.00 C ATOM 2459 CD2 LEU B 60 14.622 -0.916 4.405 1.00 0.00 C ATOM 0 H LEU B 60 14.790 1.014 8.280 1.00 0.00 H new ATOM 0 HA LEU B 60 15.612 -1.234 6.614 1.00 0.00 H new ATOM 0 HB2 LEU B 60 15.370 1.774 6.430 1.00 0.00 H new ATOM 0 HB3 LEU B 60 16.397 0.968 5.261 1.00 0.00 H new ATOM 0 HG LEU B 60 13.491 0.222 5.843 1.00 0.00 H new ATOM 0 HD11 LEU B 60 13.061 1.165 3.590 1.00 0.00 H new ATOM 0 HD12 LEU B 60 13.727 2.401 4.683 1.00 0.00 H new ATOM 0 HD13 LEU B 60 14.772 1.638 3.461 1.00 0.00 H new ATOM 0 HD21 LEU B 60 13.740 -1.226 3.845 1.00 0.00 H new ATOM 0 HD22 LEU B 60 15.451 -0.755 3.716 1.00 0.00 H new ATOM 0 HD23 LEU B 60 14.890 -1.694 5.120 1.00 0.00 H new ATOM 2471 N ASP B 61 17.917 0.879 7.697 1.00 0.00 N ATOM 2472 CA ASP B 61 19.373 0.987 7.992 1.00 0.00 C ATOM 2473 C ASP B 61 19.677 0.293 9.321 1.00 0.00 C ATOM 2474 O ASP B 61 20.818 0.183 9.726 1.00 0.00 O ATOM 2475 CB ASP B 61 19.750 2.467 8.097 1.00 0.00 C ATOM 2476 CG ASP B 61 20.853 2.788 7.086 1.00 0.00 C ATOM 2477 OD1 ASP B 61 21.964 2.322 7.282 1.00 0.00 O ATOM 2478 OD2 ASP B 61 20.569 3.493 6.133 1.00 0.00 O ATOM 0 H ASP B 61 17.379 1.728 7.873 1.00 0.00 H new ATOM 0 HA ASP B 61 19.947 0.512 7.196 1.00 0.00 H new ATOM 0 HB2 ASP B 61 18.876 3.090 7.907 1.00 0.00 H new ATOM 0 HB3 ASP B 61 20.091 2.695 9.107 1.00 0.00 H new ATOM 2483 N GLU B 62 18.667 -0.170 10.006 1.00 0.00 N ATOM 2484 CA GLU B 62 18.902 -0.850 11.309 1.00 0.00 C ATOM 2485 C GLU B 62 19.338 -2.293 11.065 1.00 0.00 C ATOM 2486 O GLU B 62 20.362 -2.734 11.545 1.00 0.00 O ATOM 2487 CB GLU B 62 17.613 -0.839 12.135 1.00 0.00 C ATOM 2488 CG GLU B 62 17.789 -1.738 13.362 1.00 0.00 C ATOM 2489 CD GLU B 62 16.551 -1.634 14.254 1.00 0.00 C ATOM 2490 OE1 GLU B 62 15.872 -0.623 14.179 1.00 0.00 O ATOM 2491 OE2 GLU B 62 16.301 -2.569 15.000 1.00 0.00 O ATOM 0 H GLU B 62 17.690 -0.106 9.719 1.00 0.00 H new ATOM 0 HA GLU B 62 19.686 -0.322 11.853 1.00 0.00 H new ATOM 0 HB2 GLU B 62 17.376 0.178 12.447 1.00 0.00 H new ATOM 0 HB3 GLU B 62 16.777 -1.190 11.530 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.939 -2.771 13.050 1.00 0.00 H new ATOM 0 HG3 GLU B 62 18.677 -1.441 13.919 1.00 0.00 H new ATOM 2498 N ASP B 63 18.563 -3.031 10.326 1.00 0.00 N ATOM 2499 CA ASP B 63 18.925 -4.451 10.054 1.00 0.00 C ATOM 2500 C ASP B 63 18.892 -4.720 8.549 1.00 0.00 C ATOM 2501 O ASP B 63 18.326 -5.700 8.106 1.00 0.00 O ATOM 2502 CB ASP B 63 17.922 -5.371 10.755 1.00 0.00 C ATOM 2503 CG ASP B 63 18.672 -6.489 11.479 1.00 0.00 C ATOM 2504 OD1 ASP B 63 19.678 -6.939 10.954 1.00 0.00 O ATOM 2505 OD2 ASP B 63 18.228 -6.878 12.547 1.00 0.00 O ATOM 0 H ASP B 63 17.693 -2.715 9.897 1.00 0.00 H new ATOM 0 HA ASP B 63 19.930 -4.643 10.430 1.00 0.00 H new ATOM 0 HB2 ASP B 63 17.325 -4.800 11.466 1.00 0.00 H new ATOM 0 HB3 ASP B 63 17.231 -5.795 10.026 1.00 0.00 H new ATOM 2510 N GLY B 64 19.494 -3.865 7.761 1.00 0.00 N ATOM 2511 CA GLY B 64 19.502 -4.078 6.284 1.00 0.00 C ATOM 2512 C GLY B 64 19.690 -5.567 5.982 1.00 0.00 C ATOM 2513 O GLY B 64 19.222 -6.073 4.982 1.00 0.00 O ATOM 0 H GLY B 64 19.981 -3.027 8.079 1.00 0.00 H new ATOM 0 HA2 GLY B 64 18.567 -3.724 5.850 1.00 0.00 H new ATOM 0 HA3 GLY B 64 20.305 -3.500 5.827 1.00 0.00 H new ATOM 2517 N ASP B 65 20.365 -6.273 6.848 1.00 0.00 N ATOM 2518 CA ASP B 65 20.578 -7.731 6.621 1.00 0.00 C ATOM 2519 C ASP B 65 19.470 -8.522 7.322 1.00 0.00 C ATOM 2520 O ASP B 65 19.717 -9.536 7.944 1.00 0.00 O ATOM 2521 CB ASP B 65 21.936 -8.141 7.192 1.00 0.00 C ATOM 2522 CG ASP B 65 22.225 -9.598 6.828 1.00 0.00 C ATOM 2523 OD1 ASP B 65 22.023 -9.951 5.678 1.00 0.00 O ATOM 2524 OD2 ASP B 65 22.643 -10.337 7.704 1.00 0.00 O ATOM 0 H ASP B 65 20.779 -5.903 7.704 1.00 0.00 H new ATOM 0 HA ASP B 65 20.554 -7.941 5.552 1.00 0.00 H new ATOM 0 HB2 ASP B 65 22.719 -7.494 6.796 1.00 0.00 H new ATOM 0 HB3 ASP B 65 21.939 -8.018 8.275 1.00 0.00 H new ATOM 2529 N GLY B 66 18.249 -8.067 7.227 1.00 0.00 N ATOM 2530 CA GLY B 66 17.127 -8.792 7.887 1.00 0.00 C ATOM 2531 C GLY B 66 16.101 -9.214 6.833 1.00 0.00 C ATOM 2532 O GLY B 66 16.226 -8.884 5.671 1.00 0.00 O ATOM 0 H GLY B 66 17.981 -7.223 6.720 1.00 0.00 H new ATOM 0 HA2 GLY B 66 17.506 -9.669 8.412 1.00 0.00 H new ATOM 0 HA3 GLY B 66 16.656 -8.152 8.633 1.00 0.00 H new ATOM 2536 N GLU B 67 15.091 -9.946 7.223 1.00 0.00 N ATOM 2537 CA GLU B 67 14.070 -10.389 6.231 1.00 0.00 C ATOM 2538 C GLU B 67 12.712 -9.760 6.556 1.00 0.00 C ATOM 2539 O GLU B 67 12.413 -9.445 7.692 1.00 0.00 O ATOM 2540 CB GLU B 67 13.943 -11.913 6.275 1.00 0.00 C ATOM 2541 CG GLU B 67 13.818 -12.374 7.728 1.00 0.00 C ATOM 2542 CD GLU B 67 12.913 -13.607 7.797 1.00 0.00 C ATOM 2543 OE1 GLU B 67 12.846 -14.323 6.811 1.00 0.00 O ATOM 2544 OE2 GLU B 67 12.303 -13.814 8.834 1.00 0.00 O ATOM 0 H GLU B 67 14.930 -10.255 8.182 1.00 0.00 H new ATOM 0 HA GLU B 67 14.383 -10.073 5.236 1.00 0.00 H new ATOM 0 HB2 GLU B 67 13.071 -12.232 5.705 1.00 0.00 H new ATOM 0 HB3 GLU B 67 14.814 -12.375 5.810 1.00 0.00 H new ATOM 0 HG2 GLU B 67 14.803 -12.610 8.132 1.00 0.00 H new ATOM 0 HG3 GLU B 67 13.406 -11.572 8.341 1.00 0.00 H new ATOM 2551 N CYS B 68 11.885 -9.584 5.562 1.00 0.00 N ATOM 2552 CA CYS B 68 10.541 -8.984 5.797 1.00 0.00 C ATOM 2553 C CYS B 68 9.478 -9.852 5.122 1.00 0.00 C ATOM 2554 O CYS B 68 9.759 -10.933 4.641 1.00 0.00 O ATOM 2555 CB CYS B 68 10.499 -7.573 5.206 1.00 0.00 C ATOM 2556 SG CYS B 68 9.915 -6.409 6.464 1.00 0.00 S ATOM 0 H CYS B 68 12.084 -9.831 4.593 1.00 0.00 H new ATOM 0 HA CYS B 68 10.346 -8.932 6.868 1.00 0.00 H new ATOM 0 HB2 CYS B 68 11.491 -7.283 4.859 1.00 0.00 H new ATOM 0 HB3 CYS B 68 9.839 -7.550 4.339 1.00 0.00 H new ATOM 0 HG CYS B 68 9.168 -7.037 7.323 1.00 0.00 H new ATOM 2562 N ASP B 69 8.259 -9.390 5.079 1.00 0.00 N ATOM 2563 CA ASP B 69 7.184 -10.194 4.432 1.00 0.00 C ATOM 2564 C ASP B 69 6.556 -9.379 3.304 1.00 0.00 C ATOM 2565 O ASP B 69 6.872 -8.222 3.112 1.00 0.00 O ATOM 2566 CB ASP B 69 6.114 -10.545 5.466 1.00 0.00 C ATOM 2567 CG ASP B 69 6.712 -11.472 6.525 1.00 0.00 C ATOM 2568 OD1 ASP B 69 6.873 -12.646 6.233 1.00 0.00 O ATOM 2569 OD2 ASP B 69 7.000 -10.992 7.608 1.00 0.00 O ATOM 0 H ASP B 69 7.961 -8.493 5.463 1.00 0.00 H new ATOM 0 HA ASP B 69 7.608 -11.113 4.027 1.00 0.00 H new ATOM 0 HB2 ASP B 69 5.735 -9.637 5.935 1.00 0.00 H new ATOM 0 HB3 ASP B 69 5.268 -11.030 4.979 1.00 0.00 H new ATOM 2574 N PHE B 70 5.668 -9.969 2.556 1.00 0.00 N ATOM 2575 CA PHE B 70 5.024 -9.216 1.444 1.00 0.00 C ATOM 2576 C PHE B 70 4.049 -8.192 2.028 1.00 0.00 C ATOM 2577 O PHE B 70 3.851 -7.127 1.478 1.00 0.00 O ATOM 2578 CB PHE B 70 4.268 -10.187 0.530 1.00 0.00 C ATOM 2579 CG PHE B 70 3.567 -11.238 1.360 1.00 0.00 C ATOM 2580 CD1 PHE B 70 2.318 -10.964 1.930 1.00 0.00 C ATOM 2581 CD2 PHE B 70 4.168 -12.488 1.558 1.00 0.00 C ATOM 2582 CE1 PHE B 70 1.668 -11.940 2.697 1.00 0.00 C ATOM 2583 CE2 PHE B 70 3.517 -13.463 2.324 1.00 0.00 C ATOM 2584 CZ PHE B 70 2.268 -13.189 2.894 1.00 0.00 C ATOM 0 H PHE B 70 5.361 -10.936 2.665 1.00 0.00 H new ATOM 0 HA PHE B 70 5.788 -8.702 0.861 1.00 0.00 H new ATOM 0 HB2 PHE B 70 3.541 -9.642 -0.071 1.00 0.00 H new ATOM 0 HB3 PHE B 70 4.962 -10.662 -0.163 1.00 0.00 H new ATOM 0 HD1 PHE B 70 1.855 -10.000 1.778 1.00 0.00 H new ATOM 0 HD2 PHE B 70 5.132 -12.699 1.120 1.00 0.00 H new ATOM 0 HE1 PHE B 70 0.704 -11.729 3.136 1.00 0.00 H new ATOM 0 HE2 PHE B 70 3.979 -14.427 2.475 1.00 0.00 H new ATOM 0 HZ PHE B 70 1.768 -13.941 3.486 1.00 0.00 H new ATOM 2594 N GLN B 71 3.442 -8.501 3.142 1.00 0.00 N ATOM 2595 CA GLN B 71 2.486 -7.538 3.760 1.00 0.00 C ATOM 2596 C GLN B 71 3.271 -6.466 4.522 1.00 0.00 C ATOM 2597 O GLN B 71 2.840 -5.337 4.642 1.00 0.00 O ATOM 2598 CB GLN B 71 1.543 -8.292 4.713 1.00 0.00 C ATOM 2599 CG GLN B 71 2.189 -8.448 6.094 1.00 0.00 C ATOM 2600 CD GLN B 71 1.728 -7.304 7.002 1.00 0.00 C ATOM 2601 OE1 GLN B 71 2.526 -6.707 7.699 1.00 0.00 O ATOM 2602 NE2 GLN B 71 0.465 -6.971 7.026 1.00 0.00 N ATOM 0 H GLN B 71 3.566 -9.377 3.650 1.00 0.00 H new ATOM 0 HA GLN B 71 1.890 -7.057 2.985 1.00 0.00 H new ATOM 0 HB2 GLN B 71 0.601 -7.752 4.805 1.00 0.00 H new ATOM 0 HB3 GLN B 71 1.309 -9.274 4.301 1.00 0.00 H new ATOM 0 HG2 GLN B 71 1.913 -9.408 6.531 1.00 0.00 H new ATOM 0 HG3 GLN B 71 3.275 -8.440 6.003 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -0.205 -7.471 6.442 1.00 0.00 H new ATOM 0 HE22 GLN B 71 0.149 -6.211 7.629 1.00 0.00 H new ATOM 2611 N GLU B 72 4.424 -6.810 5.031 1.00 0.00 N ATOM 2612 CA GLU B 72 5.237 -5.807 5.773 1.00 0.00 C ATOM 2613 C GLU B 72 5.822 -4.811 4.771 1.00 0.00 C ATOM 2614 O GLU B 72 5.579 -3.623 4.844 1.00 0.00 O ATOM 2615 CB GLU B 72 6.370 -6.522 6.514 1.00 0.00 C ATOM 2616 CG GLU B 72 5.934 -6.814 7.951 1.00 0.00 C ATOM 2617 CD GLU B 72 6.903 -6.141 8.925 1.00 0.00 C ATOM 2618 OE1 GLU B 72 7.881 -6.775 9.287 1.00 0.00 O ATOM 2619 OE2 GLU B 72 6.651 -5.005 9.292 1.00 0.00 O ATOM 0 H GLU B 72 4.836 -7.741 4.965 1.00 0.00 H new ATOM 0 HA GLU B 72 4.615 -5.279 6.496 1.00 0.00 H new ATOM 0 HB2 GLU B 72 6.624 -7.451 6.004 1.00 0.00 H new ATOM 0 HB3 GLU B 72 7.267 -5.903 6.513 1.00 0.00 H new ATOM 0 HG2 GLU B 72 4.921 -6.447 8.117 1.00 0.00 H new ATOM 0 HG3 GLU B 72 5.915 -7.890 8.125 1.00 0.00 H new ATOM 2626 N PHE B 73 6.579 -5.294 3.823 1.00 0.00 N ATOM 2627 CA PHE B 73 7.166 -4.385 2.802 1.00 0.00 C ATOM 2628 C PHE B 73 6.018 -3.642 2.109 1.00 0.00 C ATOM 2629 O PHE B 73 6.189 -2.562 1.578 1.00 0.00 O ATOM 2630 CB PHE B 73 7.981 -5.229 1.793 1.00 0.00 C ATOM 2631 CG PHE B 73 7.539 -4.968 0.366 1.00 0.00 C ATOM 2632 CD1 PHE B 73 6.377 -5.575 -0.125 1.00 0.00 C ATOM 2633 CD2 PHE B 73 8.288 -4.119 -0.458 1.00 0.00 C ATOM 2634 CE1 PHE B 73 5.964 -5.333 -1.440 1.00 0.00 C ATOM 2635 CE2 PHE B 73 7.875 -3.877 -1.774 1.00 0.00 C ATOM 2636 CZ PHE B 73 6.714 -4.484 -2.263 1.00 0.00 C ATOM 0 H PHE B 73 6.815 -6.280 3.713 1.00 0.00 H new ATOM 0 HA PHE B 73 7.836 -3.655 3.256 1.00 0.00 H new ATOM 0 HB2 PHE B 73 9.041 -4.997 1.895 1.00 0.00 H new ATOM 0 HB3 PHE B 73 7.863 -6.288 2.024 1.00 0.00 H new ATOM 0 HD1 PHE B 73 5.800 -6.230 0.511 1.00 0.00 H new ATOM 0 HD2 PHE B 73 9.184 -3.651 -0.079 1.00 0.00 H new ATOM 0 HE1 PHE B 73 5.068 -5.801 -1.820 1.00 0.00 H new ATOM 0 HE2 PHE B 73 8.452 -3.223 -2.410 1.00 0.00 H new ATOM 0 HZ PHE B 73 6.395 -4.298 -3.278 1.00 0.00 H new ATOM 2646 N MET B 74 4.851 -4.224 2.112 1.00 0.00 N ATOM 2647 CA MET B 74 3.685 -3.573 1.458 1.00 0.00 C ATOM 2648 C MET B 74 3.274 -2.337 2.257 1.00 0.00 C ATOM 2649 O MET B 74 3.192 -1.244 1.732 1.00 0.00 O ATOM 2650 CB MET B 74 2.519 -4.566 1.418 1.00 0.00 C ATOM 2651 CG MET B 74 2.475 -5.250 0.051 1.00 0.00 C ATOM 2652 SD MET B 74 1.050 -4.637 -0.879 1.00 0.00 S ATOM 2653 CE MET B 74 1.958 -3.495 -1.949 1.00 0.00 C ATOM 0 H MET B 74 4.655 -5.128 2.542 1.00 0.00 H new ATOM 0 HA MET B 74 3.951 -3.273 0.444 1.00 0.00 H new ATOM 0 HB2 MET B 74 2.635 -5.311 2.205 1.00 0.00 H new ATOM 0 HB3 MET B 74 1.579 -4.047 1.607 1.00 0.00 H new ATOM 0 HG2 MET B 74 3.395 -5.050 -0.498 1.00 0.00 H new ATOM 0 HG3 MET B 74 2.406 -6.331 0.174 1.00 0.00 H new ATOM 0 HE1 MET B 74 1.252 -2.868 -2.494 1.00 0.00 H new ATOM 0 HE2 MET B 74 2.608 -2.865 -1.341 1.00 0.00 H new ATOM 0 HE3 MET B 74 2.562 -4.062 -2.657 1.00 0.00 H new ATOM 2663 N ALA B 75 3.019 -2.499 3.525 1.00 0.00 N ATOM 2664 CA ALA B 75 2.617 -1.332 4.357 1.00 0.00 C ATOM 2665 C ALA B 75 3.816 -0.396 4.515 1.00 0.00 C ATOM 2666 O ALA B 75 3.678 0.752 4.893 1.00 0.00 O ATOM 2667 CB ALA B 75 2.159 -1.825 5.731 1.00 0.00 C ATOM 0 H ALA B 75 3.072 -3.389 4.021 1.00 0.00 H new ATOM 0 HA ALA B 75 1.798 -0.796 3.877 1.00 0.00 H new ATOM 0 HB1 ALA B 75 1.864 -0.973 6.343 1.00 0.00 H new ATOM 0 HB2 ALA B 75 1.310 -2.498 5.612 1.00 0.00 H new ATOM 0 HB3 ALA B 75 2.977 -2.356 6.218 1.00 0.00 H new ATOM 2673 N PHE B 76 4.991 -0.878 4.220 1.00 0.00 N ATOM 2674 CA PHE B 76 6.206 -0.024 4.344 1.00 0.00 C ATOM 2675 C PHE B 76 6.312 0.883 3.118 1.00 0.00 C ATOM 2676 O PHE B 76 6.705 2.029 3.210 1.00 0.00 O ATOM 2677 CB PHE B 76 7.446 -0.918 4.414 1.00 0.00 C ATOM 2678 CG PHE B 76 7.954 -0.985 5.835 1.00 0.00 C ATOM 2679 CD1 PHE B 76 7.241 -1.704 6.802 1.00 0.00 C ATOM 2680 CD2 PHE B 76 9.144 -0.335 6.182 1.00 0.00 C ATOM 2681 CE1 PHE B 76 7.718 -1.771 8.117 1.00 0.00 C ATOM 2682 CE2 PHE B 76 9.621 -0.403 7.495 1.00 0.00 C ATOM 2683 CZ PHE B 76 8.909 -1.120 8.463 1.00 0.00 C ATOM 0 H PHE B 76 5.163 -1.830 3.897 1.00 0.00 H new ATOM 0 HA PHE B 76 6.137 0.583 5.247 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.203 -1.919 4.058 1.00 0.00 H new ATOM 0 HB3 PHE B 76 8.224 -0.527 3.759 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.324 -2.207 6.534 1.00 0.00 H new ATOM 0 HD2 PHE B 76 9.694 0.219 5.436 1.00 0.00 H new ATOM 0 HE1 PHE B 76 7.168 -2.324 8.864 1.00 0.00 H new ATOM 0 HE2 PHE B 76 10.540 0.098 7.762 1.00 0.00 H new ATOM 0 HZ PHE B 76 9.278 -1.171 9.477 1.00 0.00 H new ATOM 2693 N VAL B 77 5.967 0.373 1.967 1.00 0.00 N ATOM 2694 CA VAL B 77 6.049 1.195 0.726 1.00 0.00 C ATOM 2695 C VAL B 77 4.931 2.239 0.718 1.00 0.00 C ATOM 2696 O VAL B 77 5.045 3.275 0.095 1.00 0.00 O ATOM 2697 CB VAL B 77 5.893 0.280 -0.490 1.00 0.00 C ATOM 2698 CG1 VAL B 77 5.963 1.117 -1.769 1.00 0.00 C ATOM 2699 CG2 VAL B 77 7.017 -0.759 -0.501 1.00 0.00 C ATOM 0 H VAL B 77 5.631 -0.581 1.832 1.00 0.00 H new ATOM 0 HA VAL B 77 7.013 1.702 0.691 1.00 0.00 H new ATOM 0 HB VAL B 77 4.931 -0.229 -0.437 1.00 0.00 H new ATOM 0 HG11 VAL B 77 5.852 0.466 -2.636 1.00 0.00 H new ATOM 0 HG12 VAL B 77 5.162 1.856 -1.765 1.00 0.00 H new ATOM 0 HG13 VAL B 77 6.925 1.626 -1.818 1.00 0.00 H new ATOM 0 HG21 VAL B 77 6.903 -1.409 -1.368 1.00 0.00 H new ATOM 0 HG22 VAL B 77 7.981 -0.252 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL B 77 6.969 -1.357 0.409 1.00 0.00 H new ATOM 2709 N SER B 78 3.847 1.971 1.390 1.00 0.00 N ATOM 2710 CA SER B 78 2.717 2.947 1.400 1.00 0.00 C ATOM 2711 C SER B 78 3.013 4.106 2.359 1.00 0.00 C ATOM 2712 O SER B 78 2.875 5.261 2.008 1.00 0.00 O ATOM 2713 CB SER B 78 1.439 2.234 1.845 1.00 0.00 C ATOM 2714 OG SER B 78 1.217 1.103 1.012 1.00 0.00 O ATOM 0 H SER B 78 3.693 1.121 1.932 1.00 0.00 H new ATOM 0 HA SER B 78 2.591 3.349 0.395 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.527 1.922 2.886 1.00 0.00 H new ATOM 0 HB3 SER B 78 0.590 2.915 1.787 1.00 0.00 H new ATOM 0 HG SER B 78 1.833 0.384 1.265 1.00 0.00 H new ATOM 2720 N MET B 79 3.402 3.812 3.569 1.00 0.00 N ATOM 2721 CA MET B 79 3.684 4.896 4.547 1.00 0.00 C ATOM 2722 C MET B 79 4.703 5.887 3.973 1.00 0.00 C ATOM 2723 O MET B 79 4.531 7.086 4.064 1.00 0.00 O ATOM 2724 CB MET B 79 4.246 4.277 5.823 1.00 0.00 C ATOM 2725 CG MET B 79 3.245 3.263 6.382 1.00 0.00 C ATOM 2726 SD MET B 79 2.838 3.696 8.092 1.00 0.00 S ATOM 2727 CE MET B 79 4.480 3.403 8.793 1.00 0.00 C ATOM 0 H MET B 79 3.537 2.865 3.922 1.00 0.00 H new ATOM 0 HA MET B 79 2.759 5.431 4.762 1.00 0.00 H new ATOM 0 HB2 MET B 79 5.197 3.788 5.614 1.00 0.00 H new ATOM 0 HB3 MET B 79 4.443 5.055 6.561 1.00 0.00 H new ATOM 0 HG2 MET B 79 2.341 3.255 5.773 1.00 0.00 H new ATOM 0 HG3 MET B 79 3.667 2.259 6.340 1.00 0.00 H new ATOM 0 HE1 MET B 79 4.402 2.697 9.620 1.00 0.00 H new ATOM 0 HE2 MET B 79 5.135 2.992 8.025 1.00 0.00 H new ATOM 0 HE3 MET B 79 4.893 4.344 9.157 1.00 0.00 H new ATOM 2737 N VAL B 80 5.768 5.401 3.399 1.00 0.00 N ATOM 2738 CA VAL B 80 6.798 6.321 2.842 1.00 0.00 C ATOM 2739 C VAL B 80 6.205 7.161 1.707 1.00 0.00 C ATOM 2740 O VAL B 80 6.480 8.340 1.593 1.00 0.00 O ATOM 2741 CB VAL B 80 7.976 5.502 2.319 1.00 0.00 C ATOM 2742 CG1 VAL B 80 8.836 5.044 3.499 1.00 0.00 C ATOM 2743 CG2 VAL B 80 7.453 4.279 1.562 1.00 0.00 C ATOM 0 H VAL B 80 5.970 4.407 3.292 1.00 0.00 H new ATOM 0 HA VAL B 80 7.139 6.993 3.629 1.00 0.00 H new ATOM 0 HB VAL B 80 8.576 6.114 1.645 1.00 0.00 H new ATOM 0 HG11 VAL B 80 9.678 4.459 3.130 1.00 0.00 H new ATOM 0 HG12 VAL B 80 9.208 5.915 4.038 1.00 0.00 H new ATOM 0 HG13 VAL B 80 8.235 4.431 4.171 1.00 0.00 H new ATOM 0 HG21 VAL B 80 8.294 3.695 1.189 1.00 0.00 H new ATOM 0 HG22 VAL B 80 6.854 3.664 2.234 1.00 0.00 H new ATOM 0 HG23 VAL B 80 6.838 4.606 0.724 1.00 0.00 H new ATOM 2753 N THR B 81 5.396 6.577 0.866 1.00 0.00 N ATOM 2754 CA THR B 81 4.802 7.368 -0.250 1.00 0.00 C ATOM 2755 C THR B 81 3.796 8.372 0.319 1.00 0.00 C ATOM 2756 O THR B 81 3.320 9.248 -0.374 1.00 0.00 O ATOM 2757 CB THR B 81 4.086 6.435 -1.229 1.00 0.00 C ATOM 2758 OG1 THR B 81 4.707 5.158 -1.211 1.00 0.00 O ATOM 2759 CG2 THR B 81 4.164 7.021 -2.639 1.00 0.00 C ATOM 0 H THR B 81 5.122 5.595 0.902 1.00 0.00 H new ATOM 0 HA THR B 81 5.597 7.898 -0.775 1.00 0.00 H new ATOM 0 HB THR B 81 3.042 6.333 -0.934 1.00 0.00 H new ATOM 0 HG1 THR B 81 4.260 4.586 -0.553 1.00 0.00 H new ATOM 0 HG21 THR B 81 3.654 6.357 -3.338 1.00 0.00 H new ATOM 0 HG22 THR B 81 3.685 8.000 -2.653 1.00 0.00 H new ATOM 0 HG23 THR B 81 5.209 7.124 -2.933 1.00 0.00 H new ATOM 2767 N THR B 82 3.470 8.252 1.578 1.00 0.00 N ATOM 2768 CA THR B 82 2.496 9.202 2.184 1.00 0.00 C ATOM 2769 C THR B 82 3.206 10.072 3.223 1.00 0.00 C ATOM 2770 O THR B 82 2.605 10.927 3.843 1.00 0.00 O ATOM 2771 CB THR B 82 1.365 8.420 2.856 1.00 0.00 C ATOM 2772 OG1 THR B 82 1.842 7.140 3.247 1.00 0.00 O ATOM 2773 CG2 THR B 82 0.205 8.257 1.873 1.00 0.00 C ATOM 0 H THR B 82 3.835 7.540 2.210 1.00 0.00 H new ATOM 0 HA THR B 82 2.080 9.839 1.403 1.00 0.00 H new ATOM 0 HB THR B 82 1.020 8.962 3.737 1.00 0.00 H new ATOM 0 HG1 THR B 82 1.827 6.536 2.476 1.00 0.00 H new ATOM 0 HG21 THR B 82 -0.601 7.700 2.351 1.00 0.00 H new ATOM 0 HG22 THR B 82 -0.160 9.240 1.575 1.00 0.00 H new ATOM 0 HG23 THR B 82 0.548 7.715 0.992 1.00 0.00 H new ATOM 2781 N ALA B 83 4.482 9.868 3.417 1.00 0.00 N ATOM 2782 CA ALA B 83 5.223 10.691 4.413 1.00 0.00 C ATOM 2783 C ALA B 83 5.732 11.974 3.744 1.00 0.00 C ATOM 2784 O ALA B 83 6.751 12.516 4.118 1.00 0.00 O ATOM 2785 CB ALA B 83 6.412 9.892 4.948 1.00 0.00 C ATOM 0 H ALA B 83 5.041 9.168 2.929 1.00 0.00 H new ATOM 0 HA ALA B 83 4.556 10.951 5.235 1.00 0.00 H new ATOM 0 HB1 ALA B 83 6.956 10.493 5.677 1.00 0.00 H new ATOM 0 HB2 ALA B 83 6.053 8.980 5.425 1.00 0.00 H new ATOM 0 HB3 ALA B 83 7.077 9.633 4.124 1.00 0.00 H new ATOM 2791 N CYS B 84 5.030 12.463 2.757 1.00 0.00 N ATOM 2792 CA CYS B 84 5.476 13.709 2.068 1.00 0.00 C ATOM 2793 C CYS B 84 4.325 14.718 2.040 1.00 0.00 C ATOM 2794 O CYS B 84 3.263 14.479 2.581 1.00 0.00 O ATOM 2795 CB CYS B 84 5.900 13.372 0.637 1.00 0.00 C ATOM 2796 SG CYS B 84 6.863 11.838 0.639 1.00 0.00 S ATOM 0 H CYS B 84 4.167 12.054 2.398 1.00 0.00 H new ATOM 0 HA CYS B 84 6.320 14.141 2.605 1.00 0.00 H new ATOM 0 HB2 CYS B 84 5.021 13.261 0.002 1.00 0.00 H new ATOM 0 HB3 CYS B 84 6.493 14.186 0.221 1.00 0.00 H new ATOM 0 HG CYS B 84 6.387 11.026 -0.258 1.00 0.00 H new ATOM 2802 N HIS B 85 4.525 15.847 1.415 1.00 0.00 N ATOM 2803 CA HIS B 85 3.441 16.871 1.358 1.00 0.00 C ATOM 2804 C HIS B 85 2.817 16.879 -0.039 1.00 0.00 C ATOM 2805 O HIS B 85 1.612 16.925 -0.191 1.00 0.00 O ATOM 2806 CB HIS B 85 4.021 18.257 1.658 1.00 0.00 C ATOM 2807 CG HIS B 85 5.178 18.128 2.610 1.00 0.00 C ATOM 2808 ND1 HIS B 85 6.481 17.953 2.170 1.00 0.00 N ATOM 2809 CD2 HIS B 85 5.244 18.146 3.981 1.00 0.00 C ATOM 2810 CE1 HIS B 85 7.268 17.870 3.256 1.00 0.00 C ATOM 2811 NE2 HIS B 85 6.564 17.981 4.387 1.00 0.00 N ATOM 0 H HIS B 85 5.391 16.105 0.942 1.00 0.00 H new ATOM 0 HA HIS B 85 2.680 16.627 2.099 1.00 0.00 H new ATOM 0 HB2 HIS B 85 4.350 18.732 0.734 1.00 0.00 H new ATOM 0 HB3 HIS B 85 3.252 18.898 2.090 1.00 0.00 H new ATOM 0 HD1 HIS B 85 6.787 17.897 1.198 1.00 0.00 H new ATOM 0 HD2 HIS B 85 4.400 18.269 4.643 1.00 0.00 H new ATOM 0 HE1 HIS B 85 8.338 17.731 3.220 1.00 0.00 H new ATOM 2819 N GLU B 86 3.629 16.840 -1.061 1.00 0.00 N ATOM 2820 CA GLU B 86 3.084 16.853 -2.448 1.00 0.00 C ATOM 2821 C GLU B 86 3.143 15.440 -3.037 1.00 0.00 C ATOM 2822 O GLU B 86 4.043 15.108 -3.785 1.00 0.00 O ATOM 2823 CB GLU B 86 3.917 17.802 -3.313 1.00 0.00 C ATOM 2824 CG GLU B 86 3.430 19.240 -3.111 1.00 0.00 C ATOM 2825 CD GLU B 86 4.462 20.019 -2.292 1.00 0.00 C ATOM 2826 OE1 GLU B 86 4.886 19.509 -1.270 1.00 0.00 O ATOM 2827 OE2 GLU B 86 4.808 21.117 -2.702 1.00 0.00 O ATOM 0 H GLU B 86 4.646 16.800 -0.995 1.00 0.00 H new ATOM 0 HA GLU B 86 2.048 17.193 -2.427 1.00 0.00 H new ATOM 0 HB2 GLU B 86 4.971 17.723 -3.046 1.00 0.00 H new ATOM 0 HB3 GLU B 86 3.832 17.522 -4.363 1.00 0.00 H new ATOM 0 HG2 GLU B 86 3.277 19.722 -4.076 1.00 0.00 H new ATOM 0 HG3 GLU B 86 2.468 19.241 -2.599 1.00 0.00 H new ATOM 2834 N PHE B 87 2.193 14.604 -2.708 1.00 0.00 N ATOM 2835 CA PHE B 87 2.201 13.217 -3.255 1.00 0.00 C ATOM 2836 C PHE B 87 1.099 13.070 -4.307 1.00 0.00 C ATOM 2837 O PHE B 87 1.007 12.063 -4.982 1.00 0.00 O ATOM 2838 CB PHE B 87 1.963 12.214 -2.126 1.00 0.00 C ATOM 2839 CG PHE B 87 0.918 12.755 -1.181 1.00 0.00 C ATOM 2840 CD1 PHE B 87 -0.438 12.678 -1.520 1.00 0.00 C ATOM 2841 CD2 PHE B 87 1.303 13.328 0.036 1.00 0.00 C ATOM 2842 CE1 PHE B 87 -1.408 13.175 -0.642 1.00 0.00 C ATOM 2843 CE2 PHE B 87 0.331 13.825 0.914 1.00 0.00 C ATOM 2844 CZ PHE B 87 -1.024 13.748 0.574 1.00 0.00 C ATOM 0 H PHE B 87 1.415 14.822 -2.086 1.00 0.00 H new ATOM 0 HA PHE B 87 3.170 13.021 -3.715 1.00 0.00 H new ATOM 0 HB2 PHE B 87 1.637 11.259 -2.537 1.00 0.00 H new ATOM 0 HB3 PHE B 87 2.893 12.029 -1.589 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -0.736 12.235 -2.459 1.00 0.00 H new ATOM 0 HD2 PHE B 87 2.349 13.387 0.298 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -2.454 13.116 -0.904 1.00 0.00 H new ATOM 0 HE2 PHE B 87 0.628 14.268 1.853 1.00 0.00 H new ATOM 0 HZ PHE B 87 -1.773 14.131 1.251 1.00 0.00 H new ATOM 2854 N PHE B 88 0.270 14.067 -4.468 1.00 0.00 N ATOM 2855 CA PHE B 88 -0.806 13.976 -5.488 1.00 0.00 C ATOM 2856 C PHE B 88 -0.328 14.686 -6.747 1.00 0.00 C ATOM 2857 O PHE B 88 -0.149 14.087 -7.788 1.00 0.00 O ATOM 2858 CB PHE B 88 -2.079 14.664 -4.978 1.00 0.00 C ATOM 2859 CG PHE B 88 -2.812 13.787 -3.978 1.00 0.00 C ATOM 2860 CD1 PHE B 88 -2.635 12.393 -3.970 1.00 0.00 C ATOM 2861 CD2 PHE B 88 -3.685 14.382 -3.056 1.00 0.00 C ATOM 2862 CE1 PHE B 88 -3.331 11.604 -3.042 1.00 0.00 C ATOM 2863 CE2 PHE B 88 -4.377 13.592 -2.131 1.00 0.00 C ATOM 2864 CZ PHE B 88 -4.200 12.203 -2.125 1.00 0.00 C ATOM 0 H PHE B 88 0.294 14.937 -3.937 1.00 0.00 H new ATOM 0 HA PHE B 88 -1.030 12.929 -5.694 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -1.820 15.615 -4.511 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -2.736 14.890 -5.818 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -1.964 11.929 -4.678 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -3.824 15.453 -3.060 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -3.195 10.533 -3.036 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -5.048 14.054 -1.422 1.00 0.00 H new ATOM 0 HZ PHE B 88 -4.735 11.594 -1.412 1.00 0.00 H new ATOM 2874 N GLU B 89 -0.122 15.967 -6.655 1.00 0.00 N ATOM 2875 CA GLU B 89 0.339 16.730 -7.836 1.00 0.00 C ATOM 2876 C GLU B 89 0.461 18.213 -7.480 1.00 0.00 C ATOM 2877 O GLU B 89 1.545 18.756 -7.399 1.00 0.00 O ATOM 2878 CB GLU B 89 -0.684 16.550 -8.943 1.00 0.00 C ATOM 2879 CG GLU B 89 -0.037 15.827 -10.128 1.00 0.00 C ATOM 2880 CD GLU B 89 0.110 16.799 -11.301 1.00 0.00 C ATOM 2881 OE1 GLU B 89 0.856 17.754 -11.164 1.00 0.00 O ATOM 2882 OE2 GLU B 89 -0.529 16.571 -12.314 1.00 0.00 O ATOM 0 H GLU B 89 -0.255 16.518 -5.807 1.00 0.00 H new ATOM 0 HA GLU B 89 1.315 16.369 -8.161 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -1.535 15.977 -8.575 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -1.066 17.520 -9.260 1.00 0.00 H new ATOM 0 HG2 GLU B 89 0.939 15.437 -9.841 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -0.647 14.973 -10.424 1.00 0.00 H new ATOM 2889 N HIS B 90 -0.644 18.871 -7.274 1.00 0.00 N ATOM 2890 CA HIS B 90 -0.597 20.321 -6.930 1.00 0.00 C ATOM 2891 C HIS B 90 0.031 20.508 -5.546 1.00 0.00 C ATOM 2892 O HIS B 90 0.659 19.614 -5.013 1.00 0.00 O ATOM 2893 CB HIS B 90 -2.021 20.895 -6.940 1.00 0.00 C ATOM 2894 CG HIS B 90 -2.742 20.522 -5.668 1.00 0.00 C ATOM 2895 ND1 HIS B 90 -2.901 19.205 -5.264 1.00 0.00 N ATOM 2896 CD2 HIS B 90 -3.355 21.285 -4.706 1.00 0.00 C ATOM 2897 CE1 HIS B 90 -3.585 19.216 -4.104 1.00 0.00 C ATOM 2898 NE2 HIS B 90 -3.886 20.460 -3.718 1.00 0.00 N ATOM 0 H HIS B 90 -1.580 18.468 -7.329 1.00 0.00 H new ATOM 0 HA HIS B 90 0.010 20.848 -7.667 1.00 0.00 H new ATOM 0 HB2 HIS B 90 -1.983 21.980 -7.040 1.00 0.00 H new ATOM 0 HB3 HIS B 90 -2.568 20.514 -7.802 1.00 0.00 H new ATOM 0 HD2 HIS B 90 -3.416 22.363 -4.714 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -3.857 18.328 -3.553 1.00 0.00 H new ATOM 0 HE2 HIS B 90 -4.395 20.744 -2.881 1.00 0.00 H new ATOM 2906 N GLU B 91 -0.134 21.664 -4.962 1.00 0.00 N ATOM 2907 CA GLU B 91 0.453 21.913 -3.616 1.00 0.00 C ATOM 2908 C GLU B 91 -0.669 21.991 -2.576 1.00 0.00 C ATOM 2909 O GLU B 91 -0.870 23.063 -2.029 1.00 0.00 O ATOM 2910 CB GLU B 91 1.227 23.234 -3.636 1.00 0.00 C ATOM 2911 CG GLU B 91 2.649 22.984 -4.147 1.00 0.00 C ATOM 2912 CD GLU B 91 3.377 24.320 -4.314 1.00 0.00 C ATOM 2913 OE1 GLU B 91 2.790 25.338 -3.986 1.00 0.00 O ATOM 2914 OE2 GLU B 91 4.510 24.302 -4.766 1.00 0.00 O ATOM 2915 OXT GLU B 91 -1.309 20.977 -2.347 1.00 0.00 O ATOM 0 H GLU B 91 -0.651 22.448 -5.361 1.00 0.00 H new ATOM 0 HA GLU B 91 1.130 21.099 -3.357 1.00 0.00 H new ATOM 0 HB2 GLU B 91 0.720 23.955 -4.277 1.00 0.00 H new ATOM 0 HB3 GLU B 91 1.259 23.664 -2.635 1.00 0.00 H new ATOM 0 HG2 GLU B 91 3.191 22.348 -3.447 1.00 0.00 H new ATOM 0 HG3 GLU B 91 2.616 22.455 -5.099 1.00 0.00 H new TER 2922 GLU B 91