USER MOD reduce.3.24.130724 H: found=0, std=0, add=1373, rem=0, adj=69 USER MOD reduce.3.24.130724 removed 1371 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 80 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: B 84 ASN : amide:sc= 0.878 K(o=0.88,f=0.068) USER MOD Set 2.1: B 61 LYS NZ :NH3+ -159:sc= 1.97 (180deg=0.0682) USER MOD Set 2.2: B 62 ASN : amide:sc= 1.9 K(o=4.3,f=-7!) USER MOD Set 2.3: B 65 GLN : amide:sc= 0.451 K(o=4.3,f=-6.6!) USER MOD Set 3.1: B 50 SER OG : rot -40:sc= 0.9 USER MOD Set 3.2: B 51 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 80 CYS SG : rot 180:sc= 0 USER MOD Set 4.2: A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 77 THR OG1 : rot 86:sc= 0.431 USER MOD Set 5.2: B 73 SER OG : rot -81:sc= 1.2 USER MOD Set 6.1: A 73 SER OG : rot -86:sc= 0.646 USER MOD Set 6.2: B 77 THR OG1 : rot 93:sc= 0.834 USER MOD Set 7.1: A 32 LYS NZ :NH3+ 158:sc= 1.1 (180deg=0.0707) USER MOD Set 7.2: A 63 SER OG : rot 156:sc= 2.04 USER MOD Set 8.1: A 17 HIS : no HE2:sc= 0.821 K(o=2,f=-11!) USER MOD Set 8.2: A 26 LYS NZ :NH3+ -168:sc= 1.22 (180deg=0) USER MOD Set 9.1: A 15 THR OG1 : rot 84:sc= 0.0775 USER MOD Set 9.2: A 72 TYR OH : rot 180:sc= 0.0798 USER MOD Single : A 3 THR OG1 : rot 163:sc= 1.41 USER MOD Single : A 7 LYS NZ :NH3+ -113:sc= 0.855 (180deg=-0.171!) USER MOD Single : A 10 THR OG1 : rot 96:sc= 1.3 USER MOD Single : A 11 THR OG1 : rot 68:sc= 0.875 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 84:sc= 1.29 USER MOD Single : A 18 LYS NZ :NH3+ 155:sc= -0.486 (180deg=-0.993!) USER MOD Single : A 19 TYR OH : rot -36:sc= 1.19 USER MOD Single : A 20 SER OG : rot 47:sc= 1.3 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 163:sc= 1.25 USER MOD Single : A 30 SER OG : rot -75:sc= 0.956 USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= 2.22 (180deg=1.24) USER MOD Single : A 39 LYS NZ :NH3+ 129:sc= 0.59 (180deg=-0.0239) USER MOD Single : A 40 LYS NZ :NH3+ -109:sc= 1.2 (180deg=-0.711) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= 1.49 (180deg=1.25) USER MOD Single : A 50 SER OG : rot -105:sc= 1.28 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 167:sc= -0.804 (180deg=-1.28) USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 1.89 (180deg=1.82) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -119:sc= 0.423 (180deg=-2.45!) USER MOD Single : A 62 ASN : amide:sc= 0.137 K(o=0.14,f=-2.3) USER MOD Single : A 65 GLN : amide:sc= 0.623 K(o=0.62,f=-0.013) USER MOD Single : A 70 LYS NZ :NH3+ -179:sc= 1.3 (180deg=1.24) USER MOD Single : A 78 MET CE :methyl 149:sc= 0 (180deg=-1.76) USER MOD Single : A 83 TYR OH : rot 151:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : B 3 THR OG1 : rot 110:sc= 1.66 USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 THR OG1 : rot 81:sc= 1.22 USER MOD Single : B 11 THR OG1 : rot 66:sc= 1.04 USER MOD Single : B 12 MET CE :methyl 150:sc=-5.78e-05 (180deg=-0.385) USER MOD Single : B 14 THR OG1 : rot 102:sc= 1.2 USER MOD Single : B 15 THR OG1 : rot 75:sc= 1.28 USER MOD Single : B 17 HIS : no HD1:sc= -0.398 X(o=-0.4,f=-0.39) USER MOD Single : B 18 LYS NZ :NH3+ 150:sc= 1.33 (180deg=0.82) USER MOD Single : B 19 TYR OH : rot 180:sc= -0.0105 USER MOD Single : B 20 SER OG : rot 178:sc= 1.8 USER MOD Single : B 25 SER OG : rot 153:sc= 1.28 USER MOD Single : B 26 LYS NZ :NH3+ 177:sc= 1.31 (180deg=1.31) USER MOD Single : B 28 THR OG1 : rot 85:sc= 1.05 USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ -164:sc= 2.49 (180deg=2.16) USER MOD Single : B 35 LYS NZ :NH3+ 175:sc= 0.268 (180deg=0.183) USER MOD Single : B 39 LYS NZ :NH3+ 142:sc= 1.58 (180deg=0.64) USER MOD Single : B 40 LYS NZ :NH3+ -129:sc= 1.08 (180deg=-2.53!) USER MOD Single : B 43 CYS SG : rot -100:sc= 0.273 USER MOD Single : B 47 MET CE :methyl -154:sc= -0.156 (180deg=-0.795) USER MOD Single : B 48 LYS NZ :NH3+ -145:sc= 1.91 (180deg=0.0853) USER MOD Single : B 56 MET CE :methyl -150:sc= -0.0126 (180deg=-1.22) USER MOD Single : B 57 LYS NZ :NH3+ -165:sc= 1.61 (180deg=1.32) USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 63 SER OG : rot 180:sc= 0 USER MOD Single : B 70 LYS NZ :NH3+ 175:sc= -0.0793 (180deg=-0.157) USER MOD Single : B 72 TYR OH : rot 7:sc= 1.3 USER MOD Single : B 78 MET CE :methyl 164:sc= 0 (180deg=-0.48) USER MOD Single : B 81 MET CE :methyl -171:sc= -0.0861 (180deg=-0.247) USER MOD Single : B 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 10.960 5.100 22.335 1.00 2.77 N ATOM 18 CA GLU A 2 9.537 5.124 22.672 1.00 2.24 C ATOM 19 C GLU A 2 8.889 6.388 22.077 1.00 2.03 C ATOM 20 O GLU A 2 9.053 7.482 22.614 1.00 2.86 O ATOM 21 CB GLU A 2 9.350 4.996 24.195 1.00 3.38 C ATOM 22 CG GLU A 2 7.885 5.052 24.654 1.00 4.51 C ATOM 23 CD GLU A 2 6.972 4.237 23.747 1.00 4.86 C ATOM 24 OE1 GLU A 2 7.078 2.992 23.701 1.00 5.11 O ATOM 25 OE2 GLU A 2 6.251 4.844 22.930 1.00 5.49 O ATOM 0 HA GLU A 2 9.026 4.268 22.230 1.00 2.24 H new ATOM 0 HB2 GLU A 2 9.787 4.054 24.526 1.00 3.38 H new ATOM 0 HB3 GLU A 2 9.904 5.795 24.687 1.00 3.38 H new ATOM 0 HG2 GLU A 2 7.810 4.677 25.675 1.00 4.51 H new ATOM 0 HG3 GLU A 2 7.549 6.089 24.669 1.00 4.51 H new ATOM 32 N THR A 3 8.190 6.217 20.945 1.00 1.40 N ATOM 33 CA THR A 3 7.277 7.191 20.319 1.00 1.16 C ATOM 34 C THR A 3 6.076 6.436 19.718 1.00 1.27 C ATOM 35 O THR A 3 6.169 5.218 19.511 1.00 1.55 O ATOM 36 CB THR A 3 7.960 8.105 19.268 1.00 1.08 C ATOM 37 OG1 THR A 3 7.788 7.616 17.956 1.00 1.31 O ATOM 38 CG2 THR A 3 9.453 8.356 19.481 1.00 1.20 C ATOM 0 H THR A 3 8.248 5.350 20.411 1.00 1.40 H new ATOM 0 HA THR A 3 6.937 7.872 21.099 1.00 1.16 H new ATOM 0 HB THR A 3 7.449 9.057 19.408 1.00 1.08 H new ATOM 0 HG1 THR A 3 7.987 8.328 17.313 1.00 1.31 H new ATOM 0 HG21 THR A 3 9.829 9.006 18.691 1.00 1.20 H new ATOM 0 HG22 THR A 3 9.607 8.834 20.448 1.00 1.20 H new ATOM 0 HG23 THR A 3 9.989 7.407 19.456 1.00 1.20 H new ATOM 46 N PRO A 4 4.955 7.109 19.391 1.00 1.22 N ATOM 47 CA PRO A 4 3.803 6.460 18.764 1.00 1.39 C ATOM 48 C PRO A 4 3.998 6.206 17.262 1.00 1.36 C ATOM 49 O PRO A 4 3.429 5.245 16.742 1.00 1.41 O ATOM 50 CB PRO A 4 2.626 7.405 19.024 1.00 1.60 C ATOM 51 CG PRO A 4 3.282 8.785 19.064 1.00 1.45 C ATOM 52 CD PRO A 4 4.646 8.503 19.693 1.00 1.22 C ATOM 0 HA PRO A 4 3.641 5.468 19.185 1.00 1.39 H new ATOM 0 HB2 PRO A 4 1.876 7.339 18.236 1.00 1.60 H new ATOM 0 HB3 PRO A 4 2.123 7.172 19.963 1.00 1.60 H new ATOM 0 HG2 PRO A 4 3.379 9.214 18.067 1.00 1.45 H new ATOM 0 HG3 PRO A 4 2.702 9.490 19.659 1.00 1.45 H new ATOM 0 HD2 PRO A 4 5.407 9.167 19.285 1.00 1.22 H new ATOM 0 HD3 PRO A 4 4.620 8.671 20.770 1.00 1.22 H new ATOM 60 N LEU A 5 4.801 7.016 16.549 1.00 1.30 N ATOM 61 CA LEU A 5 5.104 6.766 15.132 1.00 1.32 C ATOM 62 C LEU A 5 6.069 5.591 14.948 1.00 1.32 C ATOM 63 O LEU A 5 5.920 4.844 13.982 1.00 1.38 O ATOM 64 CB LEU A 5 5.624 8.027 14.422 1.00 1.29 C ATOM 65 CG LEU A 5 5.451 7.881 12.890 1.00 1.54 C ATOM 66 CD1 LEU A 5 4.010 8.179 12.450 1.00 2.31 C ATOM 67 CD2 LEU A 5 6.395 8.808 12.145 1.00 1.83 C ATOM 0 H LEU A 5 5.250 7.848 16.932 1.00 1.30 H new ATOM 0 HA LEU A 5 4.161 6.490 14.660 1.00 1.32 H new ATOM 0 HB2 LEU A 5 5.081 8.904 14.776 1.00 1.29 H new ATOM 0 HB3 LEU A 5 6.675 8.184 14.664 1.00 1.29 H new ATOM 0 HG LEU A 5 5.687 6.845 12.646 1.00 1.54 H new ATOM 0 HD11 LEU A 5 3.929 8.066 11.369 1.00 2.31 H new ATOM 0 HD12 LEU A 5 3.329 7.483 12.940 1.00 2.31 H new ATOM 0 HD13 LEU A 5 3.748 9.200 12.729 1.00 2.31 H new ATOM 0 HD21 LEU A 5 6.253 8.686 11.071 1.00 1.83 H new ATOM 0 HD22 LEU A 5 6.186 9.841 12.423 1.00 1.83 H new ATOM 0 HD23 LEU A 5 7.425 8.564 12.405 1.00 1.83 H new ATOM 79 N GLU A 6 6.947 5.327 15.920 1.00 1.39 N ATOM 80 CA GLU A 6 7.678 4.058 15.987 1.00 1.57 C ATOM 81 C GLU A 6 6.700 2.872 15.891 1.00 1.52 C ATOM 82 O GLU A 6 6.976 1.877 15.222 1.00 1.64 O ATOM 83 CB GLU A 6 8.451 3.980 17.318 1.00 1.84 C ATOM 84 CG GLU A 6 9.490 2.855 17.339 1.00 1.79 C ATOM 85 CD GLU A 6 10.791 3.288 16.670 1.00 2.46 C ATOM 86 OE1 GLU A 6 10.815 3.377 15.425 1.00 2.99 O ATOM 87 OE2 GLU A 6 11.749 3.568 17.433 1.00 3.90 O ATOM 0 H GLU A 6 7.169 5.977 16.674 1.00 1.39 H new ATOM 0 HA GLU A 6 8.377 4.008 15.152 1.00 1.57 H new ATOM 0 HB2 GLU A 6 8.950 4.932 17.499 1.00 1.84 H new ATOM 0 HB3 GLU A 6 7.744 3.830 18.134 1.00 1.84 H new ATOM 0 HG2 GLU A 6 9.689 2.560 18.369 1.00 1.79 H new ATOM 0 HG3 GLU A 6 9.090 1.979 16.829 1.00 1.79 H new ATOM 94 N LYS A 7 5.502 2.984 16.488 1.00 1.38 N ATOM 95 CA LYS A 7 4.505 1.914 16.424 1.00 1.41 C ATOM 96 C LYS A 7 3.867 1.822 15.029 1.00 1.31 C ATOM 97 O LYS A 7 3.436 0.743 14.622 1.00 1.33 O ATOM 98 CB LYS A 7 3.438 2.090 17.525 1.00 1.49 C ATOM 99 CG LYS A 7 3.977 2.463 18.904 1.00 1.79 C ATOM 100 CD LYS A 7 5.011 1.453 19.405 1.00 2.59 C ATOM 101 CE LYS A 7 5.236 1.716 20.886 1.00 3.62 C ATOM 102 NZ LYS A 7 6.158 2.850 21.116 1.00 4.31 N ATOM 0 H LYS A 7 5.205 3.804 17.018 1.00 1.38 H new ATOM 0 HA LYS A 7 5.017 0.969 16.605 1.00 1.41 H new ATOM 0 HB2 LYS A 7 2.736 2.861 17.207 1.00 1.49 H new ATOM 0 HB3 LYS A 7 2.874 1.161 17.613 1.00 1.49 H new ATOM 0 HG2 LYS A 7 4.429 3.454 18.861 1.00 1.79 H new ATOM 0 HG3 LYS A 7 3.151 2.519 19.613 1.00 1.79 H new ATOM 0 HD2 LYS A 7 4.658 0.434 19.247 1.00 2.59 H new ATOM 0 HD3 LYS A 7 5.945 1.556 18.852 1.00 2.59 H new ATOM 0 HE2 LYS A 7 4.280 1.924 21.366 1.00 3.62 H new ATOM 0 HE3 LYS A 7 5.641 0.819 21.356 1.00 3.62 H new ATOM 0 HZ1 LYS A 7 7.039 2.500 21.543 1.00 4.31 H new ATOM 0 HZ2 LYS A 7 6.372 3.313 20.210 1.00 4.31 H new ATOM 0 HZ3 LYS A 7 5.711 3.536 21.758 1.00 4.31 H new ATOM 116 N ALA A 8 3.814 2.928 14.276 1.00 1.26 N ATOM 117 CA ALA A 8 3.329 2.989 12.901 1.00 1.21 C ATOM 118 C ALA A 8 4.323 2.380 11.907 1.00 1.07 C ATOM 119 O ALA A 8 3.903 1.542 11.114 1.00 0.99 O ATOM 120 CB ALA A 8 3.004 4.442 12.556 1.00 1.40 C ATOM 0 H ALA A 8 4.120 3.836 14.625 1.00 1.26 H new ATOM 0 HA ALA A 8 2.424 2.387 12.821 1.00 1.21 H new ATOM 0 HB1 ALA A 8 2.640 4.500 11.530 1.00 1.40 H new ATOM 0 HB2 ALA A 8 2.236 4.814 13.235 1.00 1.40 H new ATOM 0 HB3 ALA A 8 3.903 5.050 12.657 1.00 1.40 H new ATOM 126 N LEU A 9 5.614 2.715 11.998 1.00 1.12 N ATOM 127 CA LEU A 9 6.656 2.068 11.193 1.00 1.09 C ATOM 128 C LEU A 9 6.739 0.573 11.551 1.00 1.02 C ATOM 129 O LEU A 9 6.681 -0.255 10.638 1.00 0.99 O ATOM 130 CB LEU A 9 8.007 2.801 11.357 1.00 1.15 C ATOM 131 CG LEU A 9 8.235 4.068 10.491 1.00 1.22 C ATOM 132 CD1 LEU A 9 8.148 3.776 8.985 1.00 1.26 C ATOM 133 CD2 LEU A 9 7.293 5.224 10.849 1.00 1.45 C ATOM 0 H LEU A 9 5.965 3.437 12.627 1.00 1.12 H new ATOM 0 HA LEU A 9 6.397 2.135 10.136 1.00 1.09 H new ATOM 0 HB2 LEU A 9 8.113 3.084 12.404 1.00 1.15 H new ATOM 0 HB3 LEU A 9 8.805 2.092 11.136 1.00 1.15 H new ATOM 0 HG LEU A 9 9.252 4.382 10.725 1.00 1.22 H new ATOM 0 HD11 LEU A 9 8.315 4.697 8.426 1.00 1.26 H new ATOM 0 HD12 LEU A 9 8.907 3.043 8.712 1.00 1.26 H new ATOM 0 HD13 LEU A 9 7.160 3.381 8.747 1.00 1.26 H new ATOM 0 HD21 LEU A 9 7.505 6.079 10.207 1.00 1.45 H new ATOM 0 HD22 LEU A 9 6.259 4.909 10.705 1.00 1.45 H new ATOM 0 HD23 LEU A 9 7.444 5.507 11.891 1.00 1.45 H new ATOM 145 N THR A 10 6.707 0.220 12.850 1.00 1.03 N ATOM 146 CA THR A 10 6.550 -1.171 13.340 1.00 0.99 C ATOM 147 C THR A 10 5.356 -1.873 12.690 1.00 0.92 C ATOM 148 O THR A 10 5.483 -3.003 12.223 1.00 0.92 O ATOM 149 CB THR A 10 6.419 -1.214 14.867 1.00 1.07 C ATOM 150 OG1 THR A 10 7.582 -0.687 15.450 1.00 1.25 O ATOM 151 CG2 THR A 10 6.264 -2.636 15.405 1.00 1.26 C ATOM 0 H THR A 10 6.791 0.901 13.604 1.00 1.03 H new ATOM 0 HA THR A 10 7.454 -1.708 13.054 1.00 0.99 H new ATOM 0 HB THR A 10 5.529 -0.637 15.117 1.00 1.07 H new ATOM 0 HG1 THR A 10 7.439 0.257 15.670 1.00 1.25 H new ATOM 0 HG21 THR A 10 6.176 -2.607 16.491 1.00 1.26 H new ATOM 0 HG22 THR A 10 5.369 -3.090 14.980 1.00 1.26 H new ATOM 0 HG23 THR A 10 7.137 -3.227 15.128 1.00 1.26 H new ATOM 159 N THR A 11 4.198 -1.199 12.613 1.00 0.88 N ATOM 160 CA THR A 11 2.993 -1.742 11.959 1.00 0.84 C ATOM 161 C THR A 11 3.240 -1.962 10.470 1.00 0.83 C ATOM 162 O THR A 11 2.908 -3.033 9.975 1.00 0.81 O ATOM 163 CB THR A 11 1.761 -0.856 12.173 1.00 0.84 C ATOM 164 OG1 THR A 11 1.491 -0.702 13.546 1.00 1.04 O ATOM 165 CG2 THR A 11 0.507 -1.471 11.555 1.00 0.82 C ATOM 0 H THR A 11 4.069 -0.264 13.001 1.00 0.88 H new ATOM 0 HA THR A 11 2.783 -2.703 12.430 1.00 0.84 H new ATOM 0 HB THR A 11 1.990 0.099 11.701 1.00 0.84 H new ATOM 0 HG1 THR A 11 2.202 -0.171 13.962 1.00 1.04 H new ATOM 0 HG21 THR A 11 -0.344 -0.813 11.728 1.00 0.82 H new ATOM 0 HG22 THR A 11 0.655 -1.598 10.483 1.00 0.82 H new ATOM 0 HG23 THR A 11 0.314 -2.441 12.012 1.00 0.82 H new ATOM 173 N MET A 12 3.853 -1.002 9.770 1.00 0.86 N ATOM 174 CA MET A 12 4.175 -1.124 8.339 1.00 0.88 C ATOM 175 C MET A 12 5.175 -2.241 8.057 1.00 0.88 C ATOM 176 O MET A 12 4.948 -2.999 7.126 1.00 0.88 O ATOM 177 CB MET A 12 4.711 0.197 7.776 1.00 0.92 C ATOM 178 CG MET A 12 3.616 1.257 7.717 1.00 1.22 C ATOM 179 SD MET A 12 4.221 2.907 7.289 1.00 1.49 S ATOM 180 CE MET A 12 3.115 3.288 5.908 1.00 0.86 C ATOM 0 H MET A 12 4.142 -0.114 10.179 1.00 0.86 H new ATOM 0 HA MET A 12 3.240 -1.377 7.839 1.00 0.88 H new ATOM 0 HB2 MET A 12 5.532 0.553 8.398 1.00 0.92 H new ATOM 0 HB3 MET A 12 5.115 0.032 6.777 1.00 0.92 H new ATOM 0 HG2 MET A 12 2.868 0.953 6.985 1.00 1.22 H new ATOM 0 HG3 MET A 12 3.115 1.303 8.684 1.00 1.22 H new ATOM 0 HE1 MET A 12 3.348 4.279 5.517 1.00 0.86 H new ATOM 0 HE2 MET A 12 3.248 2.547 5.120 1.00 0.86 H new ATOM 0 HE3 MET A 12 2.081 3.269 6.254 1.00 0.86 H new ATOM 190 N VAL A 13 6.254 -2.378 8.832 1.00 0.93 N ATOM 191 CA VAL A 13 7.217 -3.483 8.616 1.00 0.94 C ATOM 192 C VAL A 13 6.591 -4.853 8.920 1.00 0.84 C ATOM 193 O VAL A 13 6.945 -5.833 8.266 1.00 0.90 O ATOM 194 CB VAL A 13 8.574 -3.314 9.341 1.00 1.02 C ATOM 195 CG1 VAL A 13 9.314 -2.051 8.869 1.00 1.16 C ATOM 196 CG2 VAL A 13 8.449 -3.295 10.869 1.00 1.01 C ATOM 0 H VAL A 13 6.488 -1.754 9.604 1.00 0.93 H new ATOM 0 HA VAL A 13 7.453 -3.435 7.553 1.00 0.94 H new ATOM 0 HB VAL A 13 9.155 -4.196 9.072 1.00 1.02 H new ATOM 0 HG11 VAL A 13 10.262 -1.965 9.400 1.00 1.16 H new ATOM 0 HG12 VAL A 13 9.503 -2.119 7.798 1.00 1.16 H new ATOM 0 HG13 VAL A 13 8.702 -1.173 9.075 1.00 1.16 H new ATOM 0 HG21 VAL A 13 9.437 -3.174 11.313 1.00 1.01 H new ATOM 0 HG22 VAL A 13 7.811 -2.465 11.172 1.00 1.01 H new ATOM 0 HG23 VAL A 13 8.010 -4.233 11.210 1.00 1.01 H new ATOM 206 N THR A 14 5.628 -4.910 9.857 1.00 0.75 N ATOM 207 CA THR A 14 4.866 -6.126 10.174 1.00 0.71 C ATOM 208 C THR A 14 3.994 -6.528 8.993 1.00 0.73 C ATOM 209 O THR A 14 4.167 -7.639 8.493 1.00 0.91 O ATOM 210 CB THR A 14 4.024 -5.940 11.439 1.00 0.72 C ATOM 211 OG1 THR A 14 4.893 -5.645 12.499 1.00 0.93 O ATOM 212 CG2 THR A 14 3.262 -7.208 11.832 1.00 1.09 C ATOM 0 H THR A 14 5.356 -4.104 10.420 1.00 0.75 H new ATOM 0 HA THR A 14 5.576 -6.930 10.368 1.00 0.71 H new ATOM 0 HB THR A 14 3.303 -5.147 11.239 1.00 0.72 H new ATOM 0 HG1 THR A 14 5.099 -4.687 12.496 1.00 0.93 H new ATOM 0 HG21 THR A 14 2.682 -7.019 12.735 1.00 1.09 H new ATOM 0 HG22 THR A 14 2.590 -7.494 11.023 1.00 1.09 H new ATOM 0 HG23 THR A 14 3.970 -8.015 12.018 1.00 1.09 H new ATOM 220 N THR A 15 3.090 -5.644 8.535 1.00 0.67 N ATOM 221 CA THR A 15 2.154 -5.961 7.444 1.00 0.66 C ATOM 222 C THR A 15 2.863 -6.128 6.117 1.00 0.77 C ATOM 223 O THR A 15 2.453 -7.005 5.370 1.00 0.90 O ATOM 224 CB THR A 15 1.026 -4.938 7.300 1.00 0.64 C ATOM 225 OG1 THR A 15 1.562 -3.644 7.215 1.00 1.14 O ATOM 226 CG2 THR A 15 0.057 -5.004 8.479 1.00 1.15 C ATOM 0 H THR A 15 2.989 -4.700 8.907 1.00 0.67 H new ATOM 0 HA THR A 15 1.703 -6.912 7.726 1.00 0.66 H new ATOM 0 HB THR A 15 0.477 -5.176 6.389 1.00 0.64 H new ATOM 0 HG1 THR A 15 1.821 -3.457 6.288 1.00 1.14 H new ATOM 0 HG21 THR A 15 -0.732 -4.264 8.344 1.00 1.15 H new ATOM 0 HG22 THR A 15 -0.385 -5.999 8.532 1.00 1.15 H new ATOM 0 HG23 THR A 15 0.595 -4.796 9.404 1.00 1.15 H new ATOM 234 N PHE A 16 3.932 -5.376 5.830 1.00 0.83 N ATOM 235 CA PHE A 16 4.739 -5.602 4.631 1.00 0.91 C ATOM 236 C PHE A 16 5.464 -6.947 4.691 1.00 0.91 C ATOM 237 O PHE A 16 5.314 -7.734 3.770 1.00 0.91 O ATOM 238 CB PHE A 16 5.739 -4.447 4.420 1.00 0.96 C ATOM 239 CG PHE A 16 6.657 -4.588 3.213 1.00 0.96 C ATOM 240 CD1 PHE A 16 7.862 -5.310 3.315 1.00 1.88 C ATOM 241 CD2 PHE A 16 6.321 -3.995 1.982 1.00 1.84 C ATOM 242 CE1 PHE A 16 8.701 -5.453 2.193 1.00 1.88 C ATOM 243 CE2 PHE A 16 7.171 -4.113 0.868 1.00 1.79 C ATOM 244 CZ PHE A 16 8.358 -4.863 0.966 1.00 0.87 C ATOM 0 H PHE A 16 4.256 -4.605 6.414 1.00 0.83 H new ATOM 0 HA PHE A 16 4.063 -5.630 3.776 1.00 0.91 H new ATOM 0 HB2 PHE A 16 5.178 -3.517 4.322 1.00 0.96 H new ATOM 0 HB3 PHE A 16 6.355 -4.355 5.314 1.00 0.96 H new ATOM 0 HD1 PHE A 16 8.144 -5.756 4.258 1.00 1.88 H new ATOM 0 HD2 PHE A 16 5.398 -3.442 1.892 1.00 1.84 H new ATOM 0 HE1 PHE A 16 9.616 -6.021 2.277 1.00 1.88 H new ATOM 0 HE2 PHE A 16 6.913 -3.628 -0.062 1.00 1.79 H new ATOM 0 HZ PHE A 16 8.999 -4.984 0.105 1.00 0.87 H new ATOM 254 N HIS A 17 6.218 -7.270 5.749 1.00 0.96 N ATOM 255 CA HIS A 17 6.940 -8.556 5.819 1.00 1.00 C ATOM 256 C HIS A 17 5.993 -9.769 5.711 1.00 1.02 C ATOM 257 O HIS A 17 6.388 -10.835 5.235 1.00 1.12 O ATOM 258 CB HIS A 17 7.772 -8.613 7.113 1.00 1.04 C ATOM 259 CG HIS A 17 8.448 -9.944 7.346 1.00 1.02 C ATOM 260 ND1 HIS A 17 7.841 -11.075 7.845 1.00 1.72 N ATOM 261 CD2 HIS A 17 9.728 -10.298 7.012 1.00 1.37 C ATOM 262 CE1 HIS A 17 8.720 -12.088 7.785 1.00 2.08 C ATOM 263 NE2 HIS A 17 9.900 -11.659 7.314 1.00 1.70 N ATOM 0 H HIS A 17 6.346 -6.669 6.563 1.00 0.96 H new ATOM 0 HA HIS A 17 7.608 -8.613 4.960 1.00 1.00 H new ATOM 0 HB2 HIS A 17 8.531 -7.831 7.080 1.00 1.04 H new ATOM 0 HB3 HIS A 17 7.123 -8.392 7.961 1.00 1.04 H new ATOM 0 HD1 HIS A 17 6.886 -11.133 8.200 1.00 1.72 H new ATOM 0 HD2 HIS A 17 10.476 -9.644 6.589 1.00 1.37 H new ATOM 0 HE1 HIS A 17 8.507 -13.106 8.075 1.00 2.08 H new ATOM 272 N LYS A 18 4.736 -9.627 6.137 1.00 0.99 N ATOM 273 CA LYS A 18 3.697 -10.655 6.006 1.00 1.04 C ATOM 274 C LYS A 18 3.288 -10.972 4.544 1.00 1.06 C ATOM 275 O LYS A 18 2.596 -11.962 4.321 1.00 1.22 O ATOM 276 CB LYS A 18 2.535 -10.223 6.921 1.00 1.18 C ATOM 277 CG LYS A 18 1.661 -11.368 7.451 1.00 1.27 C ATOM 278 CD LYS A 18 0.345 -11.563 6.679 1.00 1.77 C ATOM 279 CE LYS A 18 -0.804 -11.935 7.625 1.00 2.10 C ATOM 280 NZ LYS A 18 -1.178 -10.784 8.486 1.00 2.88 N ATOM 0 H LYS A 18 4.403 -8.777 6.592 1.00 0.99 H new ATOM 0 HA LYS A 18 4.083 -11.622 6.329 1.00 1.04 H new ATOM 0 HB2 LYS A 18 2.946 -9.678 7.771 1.00 1.18 H new ATOM 0 HB3 LYS A 18 1.901 -9.527 6.372 1.00 1.18 H new ATOM 0 HG2 LYS A 18 2.233 -12.295 7.413 1.00 1.27 H new ATOM 0 HG3 LYS A 18 1.430 -11.179 8.499 1.00 1.27 H new ATOM 0 HD2 LYS A 18 0.096 -10.647 6.143 1.00 1.77 H new ATOM 0 HD3 LYS A 18 0.472 -12.346 5.931 1.00 1.77 H new ATOM 0 HE2 LYS A 18 -1.669 -12.255 7.044 1.00 2.10 H new ATOM 0 HE3 LYS A 18 -0.508 -12.779 8.248 1.00 2.10 H new ATOM 0 HZ1 LYS A 18 -2.167 -10.886 8.792 1.00 2.88 H new ATOM 0 HZ2 LYS A 18 -0.558 -10.759 9.321 1.00 2.88 H new ATOM 0 HZ3 LYS A 18 -1.071 -9.900 7.949 1.00 2.88 H new ATOM 294 N TYR A 19 3.740 -10.180 3.561 1.00 1.02 N ATOM 295 CA TYR A 19 3.700 -10.421 2.106 1.00 1.13 C ATOM 296 C TYR A 19 5.106 -10.089 1.546 1.00 1.60 C ATOM 297 O TYR A 19 5.398 -8.944 1.218 1.00 3.48 O ATOM 298 CB TYR A 19 2.596 -9.586 1.409 1.00 0.89 C ATOM 299 CG TYR A 19 1.187 -9.690 1.970 1.00 0.77 C ATOM 300 CD1 TYR A 19 0.928 -9.140 3.237 1.00 2.05 C ATOM 301 CD2 TYR A 19 0.115 -10.253 1.237 1.00 1.58 C ATOM 302 CE1 TYR A 19 -0.325 -9.264 3.839 1.00 2.09 C ATOM 303 CE2 TYR A 19 -1.162 -10.369 1.825 1.00 1.51 C ATOM 304 CZ TYR A 19 -1.369 -9.926 3.155 1.00 0.74 C ATOM 305 OH TYR A 19 -2.555 -10.145 3.779 1.00 0.88 O ATOM 0 H TYR A 19 4.178 -9.284 3.776 1.00 1.02 H new ATOM 0 HA TYR A 19 3.447 -11.463 1.907 1.00 1.13 H new ATOM 0 HB2 TYR A 19 2.895 -8.538 1.440 1.00 0.89 H new ATOM 0 HB3 TYR A 19 2.564 -9.878 0.359 1.00 0.89 H new ATOM 0 HD1 TYR A 19 1.714 -8.611 3.755 1.00 2.05 H new ATOM 0 HD2 TYR A 19 0.275 -10.595 0.225 1.00 1.58 H new ATOM 0 HE1 TYR A 19 -0.496 -8.855 4.824 1.00 2.09 H new ATOM 0 HE2 TYR A 19 -1.980 -10.794 1.263 1.00 1.51 H new ATOM 0 HH TYR A 19 -2.395 -10.343 4.725 1.00 0.88 H new ATOM 315 N SER A 20 5.991 -11.082 1.520 1.00 0.80 N ATOM 316 CA SER A 20 7.464 -11.108 1.362 1.00 0.73 C ATOM 317 C SER A 20 7.954 -12.428 2.011 1.00 0.82 C ATOM 318 O SER A 20 8.435 -13.361 1.361 1.00 1.37 O ATOM 319 CB SER A 20 8.178 -9.911 2.041 1.00 0.76 C ATOM 320 OG SER A 20 7.962 -8.639 1.453 1.00 1.84 O ATOM 0 H SER A 20 5.649 -12.037 1.625 1.00 0.80 H new ATOM 0 HA SER A 20 7.704 -11.040 0.301 1.00 0.73 H new ATOM 0 HB2 SER A 20 7.858 -9.866 3.082 1.00 0.76 H new ATOM 0 HB3 SER A 20 9.250 -10.109 2.046 1.00 0.76 H new ATOM 0 HG SER A 20 7.005 -8.518 1.278 1.00 1.84 H new ATOM 326 N GLY A 21 7.720 -12.550 3.327 1.00 0.81 N ATOM 327 CA GLY A 21 8.115 -13.678 4.180 1.00 1.03 C ATOM 328 C GLY A 21 7.154 -14.874 4.185 1.00 1.25 C ATOM 329 O GLY A 21 7.289 -15.729 5.061 1.00 1.68 O ATOM 0 H GLY A 21 7.225 -11.827 3.850 1.00 0.81 H new ATOM 0 HA2 GLY A 21 9.097 -14.026 3.860 1.00 1.03 H new ATOM 0 HA3 GLY A 21 8.222 -13.317 5.203 1.00 1.03 H new ATOM 332 N ARG A 22 6.212 -14.970 3.236 1.00 1.41 N ATOM 333 CA ARG A 22 5.466 -16.205 2.908 1.00 1.70 C ATOM 334 C ARG A 22 5.525 -16.560 1.410 1.00 2.41 C ATOM 335 O ARG A 22 4.612 -17.197 0.874 1.00 3.49 O ATOM 336 CB ARG A 22 4.047 -16.238 3.526 1.00 2.48 C ATOM 337 CG ARG A 22 3.125 -15.006 3.502 1.00 2.85 C ATOM 338 CD ARG A 22 2.716 -14.323 2.183 1.00 2.46 C ATOM 339 NE ARG A 22 2.425 -15.246 1.063 1.00 1.88 N ATOM 340 CZ ARG A 22 1.853 -14.916 -0.096 1.00 2.37 C ATOM 341 NH1 ARG A 22 1.682 -13.671 -0.498 1.00 3.44 N ATOM 342 NH2 ARG A 22 1.466 -15.873 -0.917 1.00 3.01 N ATOM 0 H ARG A 22 5.937 -14.175 2.659 1.00 1.41 H new ATOM 0 HA ARG A 22 5.991 -17.023 3.401 1.00 1.70 H new ATOM 0 HB2 ARG A 22 3.507 -17.046 3.033 1.00 2.48 H new ATOM 0 HB3 ARG A 22 4.164 -16.524 4.571 1.00 2.48 H new ATOM 0 HG2 ARG A 22 2.203 -15.293 4.008 1.00 2.85 H new ATOM 0 HG3 ARG A 22 3.602 -14.243 4.117 1.00 2.85 H new ATOM 0 HD2 ARG A 22 1.834 -13.710 2.367 1.00 2.46 H new ATOM 0 HD3 ARG A 22 3.515 -13.647 1.879 1.00 2.46 H new ATOM 0 HE ARG A 22 2.686 -16.224 1.189 1.00 1.88 H new ATOM 0 HH11 ARG A 22 1.995 -12.898 0.089 1.00 3.44 H new ATOM 0 HH12 ARG A 22 1.237 -13.482 -1.396 1.00 3.44 H new ATOM 0 HH21 ARG A 22 1.605 -16.851 -0.662 1.00 3.01 H new ATOM 0 HH22 ARG A 22 1.027 -15.635 -1.807 1.00 3.01 H new ATOM 356 N GLU A 23 6.622 -16.149 0.764 1.00 2.11 N ATOM 357 CA GLU A 23 6.934 -16.310 -0.654 1.00 2.92 C ATOM 358 C GLU A 23 8.422 -16.648 -0.820 1.00 2.66 C ATOM 359 O GLU A 23 8.751 -17.635 -1.476 1.00 3.57 O ATOM 360 CB GLU A 23 6.640 -15.016 -1.448 1.00 3.54 C ATOM 361 CG GLU A 23 5.196 -14.490 -1.396 1.00 4.92 C ATOM 362 CD GLU A 23 4.955 -13.476 -0.275 1.00 6.18 C ATOM 363 OE1 GLU A 23 5.467 -13.665 0.849 1.00 6.57 O ATOM 364 OE2 GLU A 23 4.172 -12.523 -0.480 1.00 7.50 O ATOM 0 H GLU A 23 7.368 -15.659 1.259 1.00 2.11 H new ATOM 0 HA GLU A 23 6.308 -17.114 -1.040 1.00 2.92 H new ATOM 0 HB2 GLU A 23 7.302 -14.232 -1.079 1.00 3.54 H new ATOM 0 HB3 GLU A 23 6.902 -15.190 -2.492 1.00 3.54 H new ATOM 0 HG2 GLU A 23 4.952 -14.027 -2.352 1.00 4.92 H new ATOM 0 HG3 GLU A 23 4.516 -15.332 -1.266 1.00 4.92 H new ATOM 371 N GLY A 24 9.315 -15.843 -0.223 1.00 2.48 N ATOM 372 CA GLY A 24 10.760 -15.974 -0.392 1.00 2.57 C ATOM 373 C GLY A 24 11.506 -14.843 0.302 1.00 2.19 C ATOM 374 O GLY A 24 11.683 -14.877 1.521 1.00 3.29 O ATOM 0 H GLY A 24 9.046 -15.078 0.395 1.00 2.48 H new ATOM 0 HA2 GLY A 24 11.090 -16.931 0.012 1.00 2.57 H new ATOM 0 HA3 GLY A 24 11.005 -15.975 -1.454 1.00 2.57 H new ATOM 377 N SER A 25 11.970 -13.864 -0.473 1.00 1.43 N ATOM 378 CA SER A 25 12.810 -12.780 0.040 1.00 1.16 C ATOM 379 C SER A 25 12.089 -11.934 1.096 1.00 1.12 C ATOM 380 O SER A 25 11.007 -11.406 0.866 1.00 1.44 O ATOM 381 CB SER A 25 13.304 -11.871 -1.094 1.00 1.42 C ATOM 382 OG SER A 25 14.449 -11.159 -0.651 1.00 2.53 O ATOM 0 H SER A 25 11.775 -13.799 -1.472 1.00 1.43 H new ATOM 0 HA SER A 25 13.666 -13.259 0.515 1.00 1.16 H new ATOM 0 HB2 SER A 25 13.548 -12.466 -1.974 1.00 1.42 H new ATOM 0 HB3 SER A 25 12.518 -11.175 -1.388 1.00 1.42 H new ATOM 0 HG SER A 25 14.771 -10.577 -1.371 1.00 2.53 H new ATOM 388 N LYS A 26 12.676 -11.740 2.283 1.00 1.13 N ATOM 389 CA LYS A 26 11.918 -11.148 3.398 1.00 1.16 C ATOM 390 C LYS A 26 11.697 -9.615 3.277 1.00 1.09 C ATOM 391 O LYS A 26 11.156 -9.001 4.196 1.00 1.23 O ATOM 392 CB LYS A 26 12.628 -11.566 4.693 1.00 1.35 C ATOM 393 CG LYS A 26 12.463 -13.065 5.003 1.00 1.77 C ATOM 394 CD LYS A 26 13.495 -13.588 6.016 1.00 1.95 C ATOM 395 CE LYS A 26 13.719 -12.673 7.229 1.00 2.21 C ATOM 396 NZ LYS A 26 12.497 -12.503 8.043 1.00 3.54 N ATOM 0 H LYS A 26 13.645 -11.975 2.496 1.00 1.13 H new ATOM 0 HA LYS A 26 10.897 -11.530 3.387 1.00 1.16 H new ATOM 0 HB2 LYS A 26 13.689 -11.330 4.613 1.00 1.35 H new ATOM 0 HB3 LYS A 26 12.233 -10.982 5.524 1.00 1.35 H new ATOM 0 HG2 LYS A 26 11.460 -13.241 5.391 1.00 1.77 H new ATOM 0 HG3 LYS A 26 12.551 -13.633 4.077 1.00 1.77 H new ATOM 0 HD2 LYS A 26 13.173 -14.567 6.370 1.00 1.95 H new ATOM 0 HD3 LYS A 26 14.447 -13.731 5.504 1.00 1.95 H new ATOM 0 HE2 LYS A 26 14.512 -13.088 7.852 1.00 2.21 H new ATOM 0 HE3 LYS A 26 14.062 -11.697 6.885 1.00 2.21 H new ATOM 0 HZ1 LYS A 26 12.638 -11.729 8.723 1.00 3.54 H new ATOM 0 HZ2 LYS A 26 11.695 -12.277 7.421 1.00 3.54 H new ATOM 0 HZ3 LYS A 26 12.298 -13.384 8.558 1.00 3.54 H new ATOM 410 N LEU A 27 12.119 -9.010 2.156 1.00 1.05 N ATOM 411 CA LEU A 27 12.175 -7.559 1.912 1.00 1.06 C ATOM 412 C LEU A 27 11.590 -7.076 0.559 1.00 0.82 C ATOM 413 O LEU A 27 11.556 -5.859 0.354 1.00 0.84 O ATOM 414 CB LEU A 27 13.635 -7.090 2.069 1.00 1.37 C ATOM 415 CG LEU A 27 14.627 -7.703 1.054 1.00 2.65 C ATOM 416 CD1 LEU A 27 15.629 -6.637 0.589 1.00 3.01 C ATOM 417 CD2 LEU A 27 15.418 -8.858 1.689 1.00 3.96 C ATOM 0 H LEU A 27 12.448 -9.547 1.353 1.00 1.05 H new ATOM 0 HA LEU A 27 11.521 -7.104 2.656 1.00 1.06 H new ATOM 0 HB2 LEU A 27 13.665 -6.005 1.974 1.00 1.37 H new ATOM 0 HB3 LEU A 27 13.973 -7.332 3.077 1.00 1.37 H new ATOM 0 HG LEU A 27 14.048 -8.077 0.210 1.00 2.65 H new ATOM 0 HD11 LEU A 27 16.324 -7.078 -0.126 1.00 3.01 H new ATOM 0 HD12 LEU A 27 15.092 -5.816 0.114 1.00 3.01 H new ATOM 0 HD13 LEU A 27 16.183 -6.259 1.448 1.00 3.01 H new ATOM 0 HD21 LEU A 27 16.109 -9.273 0.955 1.00 3.96 H new ATOM 0 HD22 LEU A 27 15.979 -8.487 2.546 1.00 3.96 H new ATOM 0 HD23 LEU A 27 14.727 -9.635 2.017 1.00 3.96 H new ATOM 429 N THR A 28 11.152 -7.983 -0.331 1.00 0.74 N ATOM 430 CA THR A 28 10.498 -7.667 -1.611 1.00 0.64 C ATOM 431 C THR A 28 9.350 -8.638 -1.880 1.00 0.66 C ATOM 432 O THR A 28 9.285 -9.722 -1.304 1.00 0.88 O ATOM 433 CB THR A 28 11.472 -7.656 -2.802 1.00 0.70 C ATOM 434 OG1 THR A 28 12.105 -8.908 -2.954 1.00 0.87 O ATOM 435 CG2 THR A 28 12.567 -6.597 -2.682 1.00 0.78 C ATOM 0 H THR A 28 11.247 -8.986 -0.174 1.00 0.74 H new ATOM 0 HA THR A 28 10.107 -6.654 -1.514 1.00 0.64 H new ATOM 0 HB THR A 28 10.853 -7.422 -3.668 1.00 0.70 H new ATOM 0 HG1 THR A 28 12.500 -8.969 -3.849 1.00 0.87 H new ATOM 0 HG21 THR A 28 13.217 -6.646 -3.555 1.00 0.78 H new ATOM 0 HG22 THR A 28 12.112 -5.608 -2.623 1.00 0.78 H new ATOM 0 HG23 THR A 28 13.154 -6.781 -1.782 1.00 0.78 H new ATOM 443 N LEU A 29 8.436 -8.248 -2.774 1.00 0.60 N ATOM 444 CA LEU A 29 7.238 -9.018 -3.149 1.00 0.66 C ATOM 445 C LEU A 29 6.760 -8.645 -4.567 1.00 0.70 C ATOM 446 O LEU A 29 7.283 -7.719 -5.171 1.00 0.66 O ATOM 447 CB LEU A 29 6.131 -8.894 -2.068 1.00 0.68 C ATOM 448 CG LEU A 29 5.378 -7.544 -2.016 1.00 0.78 C ATOM 449 CD1 LEU A 29 4.032 -7.617 -1.279 1.00 0.94 C ATOM 450 CD2 LEU A 29 6.194 -6.415 -1.366 1.00 0.93 C ATOM 0 H LEU A 29 8.508 -7.362 -3.274 1.00 0.60 H new ATOM 0 HA LEU A 29 7.500 -10.075 -3.189 1.00 0.66 H new ATOM 0 HB2 LEU A 29 5.402 -9.687 -2.231 1.00 0.68 H new ATOM 0 HB3 LEU A 29 6.583 -9.072 -1.092 1.00 0.68 H new ATOM 0 HG LEU A 29 5.207 -7.319 -3.069 1.00 0.78 H new ATOM 0 HD11 LEU A 29 3.561 -6.634 -1.283 1.00 0.94 H new ATOM 0 HD12 LEU A 29 3.381 -8.333 -1.781 1.00 0.94 H new ATOM 0 HD13 LEU A 29 4.197 -7.936 -0.250 1.00 0.94 H new ATOM 0 HD21 LEU A 29 5.606 -5.497 -1.362 1.00 0.93 H new ATOM 0 HD22 LEU A 29 6.444 -6.690 -0.341 1.00 0.93 H new ATOM 0 HD23 LEU A 29 7.111 -6.256 -1.933 1.00 0.93 H new ATOM 462 N SER A 30 5.775 -9.351 -5.125 1.00 0.89 N ATOM 463 CA SER A 30 5.300 -9.090 -6.494 1.00 0.92 C ATOM 464 C SER A 30 4.224 -7.993 -6.565 1.00 0.93 C ATOM 465 O SER A 30 3.399 -7.865 -5.660 1.00 0.94 O ATOM 466 CB SER A 30 4.768 -10.378 -7.142 1.00 1.05 C ATOM 467 OG SER A 30 4.925 -10.336 -8.550 1.00 2.61 O ATOM 0 H SER A 30 5.286 -10.111 -4.652 1.00 0.89 H new ATOM 0 HA SER A 30 6.166 -8.728 -7.048 1.00 0.92 H new ATOM 0 HB2 SER A 30 5.299 -11.240 -6.738 1.00 1.05 H new ATOM 0 HB3 SER A 30 3.715 -10.507 -6.893 1.00 1.05 H new ATOM 0 HG SER A 30 4.250 -9.741 -8.937 1.00 2.61 H new ATOM 473 N ARG A 31 4.146 -7.258 -7.685 1.00 0.97 N ATOM 474 CA ARG A 31 3.143 -6.188 -7.898 1.00 1.02 C ATOM 475 C ARG A 31 1.700 -6.623 -7.570 1.00 1.10 C ATOM 476 O ARG A 31 0.920 -5.831 -7.044 1.00 1.18 O ATOM 477 CB ARG A 31 3.127 -5.699 -9.355 1.00 1.14 C ATOM 478 CG ARG A 31 4.437 -5.566 -10.134 1.00 1.24 C ATOM 479 CD ARG A 31 5.171 -4.268 -9.843 1.00 1.39 C ATOM 480 NE ARG A 31 4.607 -3.137 -10.610 1.00 1.96 N ATOM 481 CZ ARG A 31 4.869 -1.841 -10.436 1.00 2.29 C ATOM 482 NH1 ARG A 31 5.618 -1.415 -9.444 1.00 2.53 N ATOM 483 NH2 ARG A 31 4.372 -0.965 -11.284 1.00 3.27 N ATOM 0 H ARG A 31 4.777 -7.385 -8.476 1.00 0.97 H new ATOM 0 HA ARG A 31 3.453 -5.397 -7.216 1.00 1.02 H new ATOM 0 HB2 ARG A 31 2.484 -6.376 -9.917 1.00 1.14 H new ATOM 0 HB3 ARG A 31 2.645 -4.721 -9.363 1.00 1.14 H new ATOM 0 HG2 ARG A 31 5.086 -6.407 -9.889 1.00 1.24 H new ATOM 0 HG3 ARG A 31 4.226 -5.626 -11.202 1.00 1.24 H new ATOM 0 HD2 ARG A 31 5.114 -4.049 -8.777 1.00 1.39 H new ATOM 0 HD3 ARG A 31 6.227 -4.384 -10.089 1.00 1.39 H new ATOM 0 HE ARG A 31 3.947 -3.373 -11.351 1.00 1.96 H new ATOM 0 HH11 ARG A 31 6.016 -2.082 -8.782 1.00 2.53 H new ATOM 0 HH12 ARG A 31 5.802 -0.418 -9.335 1.00 2.53 H new ATOM 0 HH21 ARG A 31 3.794 -1.280 -12.063 1.00 3.27 H new ATOM 0 HH22 ARG A 31 4.565 0.029 -11.162 1.00 3.27 H new ATOM 497 N LYS A 32 1.329 -7.864 -7.916 1.00 1.16 N ATOM 498 CA LYS A 32 0.023 -8.453 -7.583 1.00 1.27 C ATOM 499 C LYS A 32 -0.298 -8.312 -6.081 1.00 1.44 C ATOM 500 O LYS A 32 -1.287 -7.674 -5.711 1.00 1.75 O ATOM 501 CB LYS A 32 0.001 -9.923 -8.017 1.00 1.32 C ATOM 502 CG LYS A 32 -0.111 -10.085 -9.538 1.00 1.80 C ATOM 503 CD LYS A 32 -0.373 -11.558 -9.871 1.00 2.05 C ATOM 504 CE LYS A 32 -0.787 -11.778 -11.330 1.00 3.16 C ATOM 505 NZ LYS A 32 0.370 -11.705 -12.246 1.00 4.36 N ATOM 0 H LYS A 32 1.934 -8.495 -8.441 1.00 1.16 H new ATOM 0 HA LYS A 32 -0.752 -7.909 -8.124 1.00 1.27 H new ATOM 0 HB2 LYS A 32 0.909 -10.415 -7.668 1.00 1.32 H new ATOM 0 HB3 LYS A 32 -0.839 -10.427 -7.538 1.00 1.32 H new ATOM 0 HG2 LYS A 32 -0.919 -9.464 -9.923 1.00 1.80 H new ATOM 0 HG3 LYS A 32 0.807 -9.749 -10.020 1.00 1.80 H new ATOM 0 HD2 LYS A 32 0.527 -12.137 -9.663 1.00 2.05 H new ATOM 0 HD3 LYS A 32 -1.156 -11.939 -9.216 1.00 2.05 H new ATOM 0 HE2 LYS A 32 -1.268 -12.751 -11.429 1.00 3.16 H new ATOM 0 HE3 LYS A 32 -1.525 -11.028 -11.616 1.00 3.16 H new ATOM 0 HZ1 LYS A 32 0.146 -12.208 -13.129 1.00 4.36 H new ATOM 0 HZ2 LYS A 32 0.582 -10.709 -12.459 1.00 4.36 H new ATOM 0 HZ3 LYS A 32 1.197 -12.147 -11.796 1.00 4.36 H new ATOM 519 N GLU A 33 0.605 -8.825 -5.248 1.00 1.32 N ATOM 520 CA GLU A 33 0.458 -8.935 -3.796 1.00 1.35 C ATOM 521 C GLU A 33 0.354 -7.562 -3.114 1.00 1.33 C ATOM 522 O GLU A 33 -0.478 -7.396 -2.223 1.00 1.38 O ATOM 523 CB GLU A 33 1.639 -9.736 -3.212 1.00 1.36 C ATOM 524 CG GLU A 33 1.989 -11.058 -3.915 1.00 1.77 C ATOM 525 CD GLU A 33 0.793 -11.990 -4.075 1.00 2.23 C ATOM 526 OE1 GLU A 33 0.577 -12.812 -3.147 1.00 2.34 O ATOM 527 OE2 GLU A 33 0.142 -11.865 -5.139 1.00 3.44 O ATOM 0 H GLU A 33 1.497 -9.191 -5.579 1.00 1.32 H new ATOM 0 HA GLU A 33 -0.476 -9.460 -3.598 1.00 1.35 H new ATOM 0 HB2 GLU A 33 2.523 -9.098 -3.226 1.00 1.36 H new ATOM 0 HB3 GLU A 33 1.419 -9.954 -2.167 1.00 1.36 H new ATOM 0 HG2 GLU A 33 2.405 -10.840 -4.899 1.00 1.77 H new ATOM 0 HG3 GLU A 33 2.766 -11.569 -3.347 1.00 1.77 H new ATOM 534 N LEU A 34 1.119 -6.555 -3.569 1.00 1.26 N ATOM 535 CA LEU A 34 1.011 -5.168 -3.093 1.00 1.26 C ATOM 536 C LEU A 34 -0.426 -4.659 -3.209 1.00 1.31 C ATOM 537 O LEU A 34 -0.969 -4.089 -2.263 1.00 1.32 O ATOM 538 CB LEU A 34 1.990 -4.285 -3.900 1.00 1.22 C ATOM 539 CG LEU A 34 1.784 -2.756 -3.808 1.00 1.43 C ATOM 540 CD1 LEU A 34 1.977 -2.237 -2.382 1.00 1.81 C ATOM 541 CD2 LEU A 34 2.781 -2.037 -4.728 1.00 1.40 C ATOM 0 H LEU A 34 1.835 -6.683 -4.284 1.00 1.26 H new ATOM 0 HA LEU A 34 1.278 -5.123 -2.037 1.00 1.26 H new ATOM 0 HB2 LEU A 34 3.004 -4.512 -3.570 1.00 1.22 H new ATOM 0 HB3 LEU A 34 1.924 -4.575 -4.949 1.00 1.22 H new ATOM 0 HG LEU A 34 0.759 -2.551 -4.116 1.00 1.43 H new ATOM 0 HD11 LEU A 34 1.823 -1.158 -2.364 1.00 1.81 H new ATOM 0 HD12 LEU A 34 1.257 -2.718 -1.719 1.00 1.81 H new ATOM 0 HD13 LEU A 34 2.988 -2.465 -2.046 1.00 1.81 H new ATOM 0 HD21 LEU A 34 2.629 -0.960 -4.658 1.00 1.40 H new ATOM 0 HD22 LEU A 34 3.799 -2.281 -4.423 1.00 1.40 H new ATOM 0 HD23 LEU A 34 2.624 -2.359 -5.757 1.00 1.40 H new ATOM 553 N LYS A 35 -1.069 -4.889 -4.356 1.00 1.37 N ATOM 554 CA LYS A 35 -2.474 -4.534 -4.552 1.00 1.45 C ATOM 555 C LYS A 35 -3.370 -5.238 -3.528 1.00 1.47 C ATOM 556 O LYS A 35 -4.338 -4.649 -3.041 1.00 1.58 O ATOM 557 CB LYS A 35 -2.876 -4.851 -6.013 1.00 1.55 C ATOM 558 CG LYS A 35 -4.077 -5.811 -6.168 1.00 1.50 C ATOM 559 CD LYS A 35 -4.600 -5.932 -7.594 1.00 1.61 C ATOM 560 CE LYS A 35 -3.456 -6.087 -8.591 1.00 2.48 C ATOM 561 NZ LYS A 35 -3.968 -6.316 -9.958 1.00 3.47 N ATOM 0 H LYS A 35 -0.633 -5.324 -5.169 1.00 1.37 H new ATOM 0 HA LYS A 35 -2.611 -3.466 -4.386 1.00 1.45 H new ATOM 0 HB2 LYS A 35 -3.111 -3.915 -6.520 1.00 1.55 H new ATOM 0 HB3 LYS A 35 -2.016 -5.284 -6.524 1.00 1.55 H new ATOM 0 HG2 LYS A 35 -3.785 -6.800 -5.815 1.00 1.50 H new ATOM 0 HG3 LYS A 35 -4.887 -5.469 -5.524 1.00 1.50 H new ATOM 0 HD2 LYS A 35 -5.268 -6.790 -7.667 1.00 1.61 H new ATOM 0 HD3 LYS A 35 -5.187 -5.048 -7.845 1.00 1.61 H new ATOM 0 HE2 LYS A 35 -2.834 -5.192 -8.578 1.00 2.48 H new ATOM 0 HE3 LYS A 35 -2.821 -6.921 -8.293 1.00 2.48 H new ATOM 0 HZ1 LYS A 35 -3.233 -6.777 -10.531 1.00 3.47 H new ATOM 0 HZ2 LYS A 35 -4.808 -6.927 -9.916 1.00 3.47 H new ATOM 0 HZ3 LYS A 35 -4.224 -5.405 -10.390 1.00 3.47 H new ATOM 575 N GLU A 36 -3.068 -6.501 -3.250 1.00 1.39 N ATOM 576 CA GLU A 36 -3.936 -7.397 -2.520 1.00 1.31 C ATOM 577 C GLU A 36 -3.869 -7.184 -1.013 1.00 1.08 C ATOM 578 O GLU A 36 -4.904 -7.205 -0.355 1.00 1.03 O ATOM 579 CB GLU A 36 -3.598 -8.843 -2.905 1.00 1.39 C ATOM 580 CG GLU A 36 -4.802 -9.737 -2.618 1.00 1.67 C ATOM 581 CD GLU A 36 -6.038 -9.360 -3.469 1.00 2.45 C ATOM 582 OE1 GLU A 36 -5.909 -8.649 -4.495 1.00 3.54 O ATOM 583 OE2 GLU A 36 -7.153 -9.707 -3.018 1.00 2.71 O ATOM 0 H GLU A 36 -2.190 -6.934 -3.536 1.00 1.39 H new ATOM 0 HA GLU A 36 -4.967 -7.179 -2.798 1.00 1.31 H new ATOM 0 HB2 GLU A 36 -3.334 -8.898 -3.961 1.00 1.39 H new ATOM 0 HB3 GLU A 36 -2.732 -9.188 -2.341 1.00 1.39 H new ATOM 0 HG2 GLU A 36 -4.534 -10.775 -2.813 1.00 1.67 H new ATOM 0 HG3 GLU A 36 -5.058 -9.667 -1.561 1.00 1.67 H new ATOM 590 N LEU A 37 -2.684 -6.878 -0.474 1.00 1.07 N ATOM 591 CA LEU A 37 -2.462 -6.477 0.918 1.00 1.00 C ATOM 592 C LEU A 37 -3.399 -5.316 1.290 1.00 1.05 C ATOM 593 O LEU A 37 -4.023 -5.320 2.350 1.00 1.05 O ATOM 594 CB LEU A 37 -0.963 -6.120 1.011 1.00 1.05 C ATOM 595 CG LEU A 37 -0.359 -5.916 2.417 1.00 1.02 C ATOM 596 CD1 LEU A 37 1.166 -5.821 2.269 1.00 1.85 C ATOM 597 CD2 LEU A 37 -0.837 -4.655 3.144 1.00 2.97 C ATOM 0 H LEU A 37 -1.821 -6.904 -1.017 1.00 1.07 H new ATOM 0 HA LEU A 37 -2.694 -7.265 1.634 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -0.399 -6.910 0.515 1.00 1.05 H new ATOM 0 HB3 LEU A 37 -0.800 -5.206 0.440 1.00 1.05 H new ATOM 0 HG LEU A 37 -0.686 -6.765 3.018 1.00 1.02 H new ATOM 0 HD11 LEU A 37 1.618 -5.676 3.250 1.00 1.85 H new ATOM 0 HD12 LEU A 37 1.547 -6.741 1.826 1.00 1.85 H new ATOM 0 HD13 LEU A 37 1.417 -4.978 1.626 1.00 1.85 H new ATOM 0 HD21 LEU A 37 -0.360 -4.596 4.122 1.00 2.97 H new ATOM 0 HD22 LEU A 37 -0.573 -3.775 2.558 1.00 2.97 H new ATOM 0 HD23 LEU A 37 -1.919 -4.696 3.270 1.00 2.97 H new ATOM 609 N ILE A 38 -3.576 -4.377 0.363 1.00 1.13 N ATOM 610 CA ILE A 38 -4.478 -3.211 0.453 1.00 1.22 C ATOM 611 C ILE A 38 -5.974 -3.584 0.374 1.00 1.16 C ATOM 612 O ILE A 38 -6.834 -2.793 0.749 1.00 1.37 O ATOM 613 CB ILE A 38 -4.031 -2.185 -0.615 1.00 1.27 C ATOM 614 CG1 ILE A 38 -2.597 -1.693 -0.291 1.00 1.45 C ATOM 615 CG2 ILE A 38 -4.978 -0.979 -0.726 1.00 1.35 C ATOM 616 CD1 ILE A 38 -1.944 -0.963 -1.465 1.00 1.49 C ATOM 0 H ILE A 38 -3.070 -4.403 -0.523 1.00 1.13 H new ATOM 0 HA ILE A 38 -4.393 -2.758 1.441 1.00 1.22 H new ATOM 0 HB ILE A 38 -4.054 -2.695 -1.578 1.00 1.27 H new ATOM 0 HG12 ILE A 38 -2.632 -1.027 0.571 1.00 1.45 H new ATOM 0 HG13 ILE A 38 -1.979 -2.546 -0.010 1.00 1.45 H new ATOM 0 HG21 ILE A 38 -4.610 -0.296 -1.492 1.00 1.35 H new ATOM 0 HG22 ILE A 38 -5.976 -1.324 -0.997 1.00 1.35 H new ATOM 0 HG23 ILE A 38 -5.021 -0.461 0.232 1.00 1.35 H new ATOM 0 HD11 ILE A 38 -0.942 -0.641 -1.181 1.00 1.49 H new ATOM 0 HD12 ILE A 38 -1.881 -1.635 -2.321 1.00 1.49 H new ATOM 0 HD13 ILE A 38 -2.543 -0.092 -1.731 1.00 1.49 H new ATOM 628 N LYS A 39 -6.308 -4.783 -0.099 1.00 1.04 N ATOM 629 CA LYS A 39 -7.612 -5.440 0.058 1.00 1.07 C ATOM 630 C LYS A 39 -7.710 -6.427 1.247 1.00 1.06 C ATOM 631 O LYS A 39 -8.798 -6.937 1.514 1.00 1.26 O ATOM 632 CB LYS A 39 -7.889 -6.198 -1.255 1.00 1.14 C ATOM 633 CG LYS A 39 -8.679 -5.383 -2.273 1.00 1.34 C ATOM 634 CD LYS A 39 -7.963 -4.120 -2.773 1.00 1.83 C ATOM 635 CE LYS A 39 -8.754 -3.465 -3.909 1.00 2.66 C ATOM 636 NZ LYS A 39 -8.768 -4.321 -5.123 1.00 4.26 N ATOM 0 H LYS A 39 -5.648 -5.353 -0.628 1.00 1.04 H new ATOM 0 HA LYS A 39 -8.346 -4.664 0.275 1.00 1.07 H new ATOM 0 HB2 LYS A 39 -6.940 -6.498 -1.699 1.00 1.14 H new ATOM 0 HB3 LYS A 39 -8.438 -7.112 -1.029 1.00 1.14 H new ATOM 0 HG2 LYS A 39 -8.908 -6.018 -3.129 1.00 1.34 H new ATOM 0 HG3 LYS A 39 -9.631 -5.093 -1.827 1.00 1.34 H new ATOM 0 HD2 LYS A 39 -7.844 -3.414 -1.951 1.00 1.83 H new ATOM 0 HD3 LYS A 39 -6.962 -4.376 -3.120 1.00 1.83 H new ATOM 0 HE2 LYS A 39 -9.777 -3.278 -3.582 1.00 2.66 H new ATOM 0 HE3 LYS A 39 -8.315 -2.497 -4.149 1.00 2.66 H new ATOM 0 HZ1 LYS A 39 -9.747 -4.438 -5.454 1.00 4.26 H new ATOM 0 HZ2 LYS A 39 -8.201 -3.872 -5.871 1.00 4.26 H new ATOM 0 HZ3 LYS A 39 -8.366 -5.253 -4.895 1.00 4.26 H new ATOM 650 N LYS A 40 -6.597 -6.797 1.896 1.00 0.97 N ATOM 651 CA LYS A 40 -6.572 -7.753 3.013 1.00 1.03 C ATOM 652 C LYS A 40 -6.550 -7.043 4.371 1.00 1.10 C ATOM 653 O LYS A 40 -7.402 -7.259 5.225 1.00 1.27 O ATOM 654 CB LYS A 40 -5.333 -8.669 2.933 1.00 1.09 C ATOM 655 CG LYS A 40 -5.257 -9.694 1.800 1.00 1.42 C ATOM 656 CD LYS A 40 -6.575 -10.378 1.459 1.00 1.17 C ATOM 657 CE LYS A 40 -7.314 -9.627 0.349 1.00 2.47 C ATOM 658 NZ LYS A 40 -7.887 -10.543 -0.660 1.00 2.49 N ATOM 0 H LYS A 40 -5.674 -6.435 1.656 1.00 0.97 H new ATOM 0 HA LYS A 40 -7.483 -8.345 2.928 1.00 1.03 H new ATOM 0 HB2 LYS A 40 -4.452 -8.031 2.862 1.00 1.09 H new ATOM 0 HB3 LYS A 40 -5.259 -9.211 3.876 1.00 1.09 H new ATOM 0 HG2 LYS A 40 -4.881 -9.197 0.906 1.00 1.42 H new ATOM 0 HG3 LYS A 40 -4.528 -10.458 2.070 1.00 1.42 H new ATOM 0 HD2 LYS A 40 -6.385 -11.404 1.144 1.00 1.17 H new ATOM 0 HD3 LYS A 40 -7.203 -10.429 2.349 1.00 1.17 H new ATOM 0 HE2 LYS A 40 -8.112 -9.027 0.787 1.00 2.47 H new ATOM 0 HE3 LYS A 40 -6.627 -8.936 -0.139 1.00 2.47 H new ATOM 0 HZ1 LYS A 40 -7.352 -10.460 -1.548 1.00 2.49 H new ATOM 0 HZ2 LYS A 40 -7.831 -11.522 -0.312 1.00 2.49 H new ATOM 0 HZ3 LYS A 40 -8.882 -10.293 -0.830 1.00 2.49 H new ATOM 672 N GLU A 41 -5.478 -6.280 4.562 1.00 1.07 N ATOM 673 CA GLU A 41 -5.043 -5.662 5.833 1.00 1.23 C ATOM 674 C GLU A 41 -5.064 -4.124 5.771 1.00 1.47 C ATOM 675 O GLU A 41 -4.842 -3.445 6.782 1.00 1.96 O ATOM 676 CB GLU A 41 -3.668 -6.220 6.272 1.00 1.61 C ATOM 677 CG GLU A 41 -3.651 -7.745 6.065 1.00 2.63 C ATOM 678 CD GLU A 41 -2.593 -8.575 6.776 1.00 3.86 C ATOM 679 OE1 GLU A 41 -1.935 -8.158 7.754 1.00 4.46 O ATOM 680 OE2 GLU A 41 -2.465 -9.744 6.365 1.00 5.01 O ATOM 0 H GLU A 41 -4.845 -6.057 3.794 1.00 1.07 H new ATOM 0 HA GLU A 41 -5.766 -5.937 6.601 1.00 1.23 H new ATOM 0 HB2 GLU A 41 -2.871 -5.754 5.693 1.00 1.61 H new ATOM 0 HB3 GLU A 41 -3.483 -5.981 7.319 1.00 1.61 H new ATOM 0 HG2 GLU A 41 -4.626 -8.128 6.365 1.00 2.63 H new ATOM 0 HG3 GLU A 41 -3.551 -7.931 4.996 1.00 2.63 H new ATOM 687 N LEU A 42 -5.414 -3.576 4.603 1.00 1.36 N ATOM 688 CA LEU A 42 -6.276 -2.406 4.447 1.00 1.32 C ATOM 689 C LEU A 42 -7.560 -2.883 3.728 1.00 1.36 C ATOM 690 O LEU A 42 -7.623 -4.039 3.293 1.00 1.95 O ATOM 691 CB LEU A 42 -5.496 -1.325 3.661 1.00 1.33 C ATOM 692 CG LEU A 42 -5.492 0.069 4.317 1.00 1.30 C ATOM 693 CD1 LEU A 42 -4.494 0.974 3.580 1.00 1.90 C ATOM 694 CD2 LEU A 42 -6.881 0.722 4.308 1.00 1.66 C ATOM 0 H LEU A 42 -5.092 -3.950 3.710 1.00 1.36 H new ATOM 0 HA LEU A 42 -6.565 -1.956 5.397 1.00 1.32 H new ATOM 0 HB2 LEU A 42 -4.465 -1.657 3.538 1.00 1.33 H new ATOM 0 HB3 LEU A 42 -5.925 -1.241 2.662 1.00 1.33 H new ATOM 0 HG LEU A 42 -5.197 -0.057 5.359 1.00 1.30 H new ATOM 0 HD11 LEU A 42 -4.489 1.961 4.042 1.00 1.90 H new ATOM 0 HD12 LEU A 42 -3.496 0.540 3.640 1.00 1.90 H new ATOM 0 HD13 LEU A 42 -4.788 1.064 2.534 1.00 1.90 H new ATOM 0 HD21 LEU A 42 -6.825 1.702 4.781 1.00 1.66 H new ATOM 0 HD22 LEU A 42 -7.223 0.835 3.279 1.00 1.66 H new ATOM 0 HD23 LEU A 42 -7.582 0.093 4.857 1.00 1.66 H new ATOM 706 N CYS A 43 -8.558 -2.015 3.536 1.00 1.40 N ATOM 707 CA CYS A 43 -9.608 -2.214 2.532 1.00 1.75 C ATOM 708 C CYS A 43 -10.066 -0.872 1.947 1.00 2.04 C ATOM 709 O CYS A 43 -10.196 0.111 2.673 1.00 3.01 O ATOM 710 CB CYS A 43 -10.773 -3.014 3.125 1.00 2.02 C ATOM 711 SG CYS A 43 -11.803 -3.597 1.743 1.00 2.97 S ATOM 0 H CYS A 43 -8.661 -1.154 4.073 1.00 1.40 H new ATOM 0 HA CYS A 43 -9.199 -2.798 1.707 1.00 1.75 H new ATOM 0 HB2 CYS A 43 -10.401 -3.857 3.707 1.00 2.02 H new ATOM 0 HB3 CYS A 43 -11.358 -2.392 3.803 1.00 2.02 H new ATOM 0 HG CYS A 43 -12.804 -4.284 2.208 1.00 2.97 H new ATOM 774 N LYS A 48 -14.128 3.531 -2.820 1.00 2.27 N ATOM 775 CA LYS A 48 -13.653 4.106 -4.090 1.00 2.28 C ATOM 776 C LYS A 48 -13.693 3.092 -5.250 1.00 2.72 C ATOM 777 O LYS A 48 -13.431 1.906 -5.049 1.00 3.36 O ATOM 778 CB LYS A 48 -12.201 4.573 -3.892 1.00 2.34 C ATOM 779 CG LYS A 48 -12.032 5.929 -3.202 1.00 2.44 C ATOM 780 CD LYS A 48 -12.393 6.036 -1.718 1.00 3.22 C ATOM 781 CE LYS A 48 -11.578 5.033 -0.887 1.00 4.51 C ATOM 782 NZ LYS A 48 -11.544 5.382 0.555 1.00 5.95 N ATOM 0 HA LYS A 48 -14.313 4.932 -4.354 1.00 2.28 H new ATOM 0 HB2 LYS A 48 -11.672 3.820 -3.308 1.00 2.34 H new ATOM 0 HB3 LYS A 48 -11.716 4.619 -4.867 1.00 2.34 H new ATOM 0 HG2 LYS A 48 -10.991 6.232 -3.314 1.00 2.44 H new ATOM 0 HG3 LYS A 48 -12.636 6.656 -3.745 1.00 2.44 H new ATOM 0 HD2 LYS A 48 -12.202 7.049 -1.364 1.00 3.22 H new ATOM 0 HD3 LYS A 48 -13.458 5.847 -1.583 1.00 3.22 H new ATOM 0 HE2 LYS A 48 -12.004 4.037 -1.006 1.00 4.51 H new ATOM 0 HE3 LYS A 48 -10.559 4.992 -1.271 1.00 4.51 H new ATOM 0 HZ1 LYS A 48 -11.226 4.558 1.104 1.00 5.95 H new ATOM 0 HZ2 LYS A 48 -10.886 6.173 0.705 1.00 5.95 H new ATOM 0 HZ3 LYS A 48 -12.496 5.660 0.867 1.00 5.95 H new ATOM 796 N GLU A 49 -13.929 3.571 -6.472 1.00 2.82 N ATOM 797 CA GLU A 49 -13.949 2.781 -7.710 1.00 3.24 C ATOM 798 C GLU A 49 -12.913 3.275 -8.735 1.00 2.67 C ATOM 799 O GLU A 49 -12.110 2.496 -9.242 1.00 3.43 O ATOM 800 CB GLU A 49 -15.371 2.760 -8.332 1.00 4.19 C ATOM 801 CG GLU A 49 -16.307 3.958 -8.074 1.00 4.50 C ATOM 802 CD GLU A 49 -15.688 5.303 -8.447 1.00 4.73 C ATOM 803 OE1 GLU A 49 -14.955 5.847 -7.595 1.00 4.68 O ATOM 804 OE2 GLU A 49 -15.785 5.726 -9.618 1.00 5.67 O ATOM 0 H GLU A 49 -14.119 4.560 -6.636 1.00 2.82 H new ATOM 0 HA GLU A 49 -13.673 1.762 -7.440 1.00 3.24 H new ATOM 0 HB2 GLU A 49 -15.259 2.654 -9.411 1.00 4.19 H new ATOM 0 HB3 GLU A 49 -15.876 1.863 -7.974 1.00 4.19 H new ATOM 0 HG2 GLU A 49 -17.227 3.820 -8.642 1.00 4.50 H new ATOM 0 HG3 GLU A 49 -16.583 3.973 -7.020 1.00 4.50 H new ATOM 811 N SER A 50 -12.902 4.568 -9.050 1.00 2.01 N ATOM 812 CA SER A 50 -12.102 5.160 -10.116 1.00 1.87 C ATOM 813 C SER A 50 -10.816 5.810 -9.580 1.00 1.70 C ATOM 814 O SER A 50 -10.681 6.106 -8.392 1.00 2.41 O ATOM 815 CB SER A 50 -12.953 6.140 -10.941 1.00 2.21 C ATOM 816 OG SER A 50 -13.614 7.107 -10.150 1.00 3.31 O ATOM 0 H SER A 50 -13.469 5.254 -8.553 1.00 2.01 H new ATOM 0 HA SER A 50 -11.777 4.360 -10.781 1.00 1.87 H new ATOM 0 HB2 SER A 50 -12.313 6.647 -11.664 1.00 2.21 H new ATOM 0 HB3 SER A 50 -13.694 5.578 -11.510 1.00 2.21 H new ATOM 0 HG SER A 50 -14.567 6.886 -10.092 1.00 3.31 H new ATOM 822 N SER A 51 -9.809 5.942 -10.455 1.00 1.92 N ATOM 823 CA SER A 51 -8.423 6.343 -10.132 1.00 1.89 C ATOM 824 C SER A 51 -7.681 5.238 -9.362 1.00 1.69 C ATOM 825 O SER A 51 -6.571 4.860 -9.729 1.00 1.94 O ATOM 826 CB SER A 51 -8.394 7.678 -9.373 1.00 2.22 C ATOM 827 OG SER A 51 -7.144 8.318 -9.544 1.00 3.02 O ATOM 0 H SER A 51 -9.939 5.766 -11.451 1.00 1.92 H new ATOM 0 HA SER A 51 -7.894 6.489 -11.074 1.00 1.89 H new ATOM 0 HB2 SER A 51 -9.193 8.326 -9.734 1.00 2.22 H new ATOM 0 HB3 SER A 51 -8.578 7.504 -8.313 1.00 2.22 H new ATOM 0 HG SER A 51 -7.142 9.168 -9.056 1.00 3.02 H new ATOM 833 N ILE A 52 -8.331 4.639 -8.361 1.00 1.50 N ATOM 834 CA ILE A 52 -7.833 3.460 -7.635 1.00 1.40 C ATOM 835 C ILE A 52 -7.810 2.212 -8.516 1.00 1.22 C ATOM 836 O ILE A 52 -6.954 1.356 -8.296 1.00 1.22 O ATOM 837 CB ILE A 52 -8.588 3.237 -6.297 1.00 1.64 C ATOM 838 CG1 ILE A 52 -9.989 2.587 -6.400 1.00 2.22 C ATOM 839 CG2 ILE A 52 -8.734 4.576 -5.545 1.00 2.00 C ATOM 840 CD1 ILE A 52 -9.995 1.051 -6.449 1.00 2.24 C ATOM 0 H ILE A 52 -9.237 4.964 -8.023 1.00 1.50 H new ATOM 0 HA ILE A 52 -6.796 3.664 -7.368 1.00 1.40 H new ATOM 0 HB ILE A 52 -7.965 2.520 -5.762 1.00 1.64 H new ATOM 0 HG12 ILE A 52 -10.585 2.910 -5.547 1.00 2.22 H new ATOM 0 HG13 ILE A 52 -10.483 2.965 -7.295 1.00 2.22 H new ATOM 0 HG21 ILE A 52 -9.265 4.411 -4.607 1.00 2.00 H new ATOM 0 HG22 ILE A 52 -7.746 4.985 -5.335 1.00 2.00 H new ATOM 0 HG23 ILE A 52 -9.295 5.280 -6.160 1.00 2.00 H new ATOM 0 HD11 ILE A 52 -11.022 0.693 -6.521 1.00 2.24 H new ATOM 0 HD12 ILE A 52 -9.431 0.712 -7.318 1.00 2.24 H new ATOM 0 HD13 ILE A 52 -9.536 0.656 -5.543 1.00 2.24 H new ATOM 852 N ASP A 53 -8.699 2.122 -9.517 1.00 1.22 N ATOM 853 CA ASP A 53 -8.587 1.145 -10.603 1.00 1.25 C ATOM 854 C ASP A 53 -7.237 1.279 -11.289 1.00 0.95 C ATOM 855 O ASP A 53 -6.521 0.291 -11.362 1.00 0.95 O ATOM 856 CB ASP A 53 -9.693 1.279 -11.667 1.00 1.85 C ATOM 857 CG ASP A 53 -9.384 0.364 -12.870 1.00 2.96 C ATOM 858 OD1 ASP A 53 -9.494 -0.873 -12.716 1.00 3.19 O ATOM 859 OD2 ASP A 53 -8.930 0.883 -13.920 1.00 4.46 O ATOM 0 H ASP A 53 -9.516 2.727 -9.593 1.00 1.22 H new ATOM 0 HA ASP A 53 -8.696 0.166 -10.137 1.00 1.25 H new ATOM 0 HB2 ASP A 53 -10.658 1.012 -11.236 1.00 1.85 H new ATOM 0 HB3 ASP A 53 -9.767 2.315 -11.998 1.00 1.85 H new ATOM 864 N ASP A 54 -6.857 2.467 -11.773 1.00 1.04 N ATOM 865 CA ASP A 54 -5.644 2.579 -12.582 1.00 1.11 C ATOM 866 C ASP A 54 -4.387 2.236 -11.783 1.00 0.94 C ATOM 867 O ASP A 54 -3.465 1.634 -12.323 1.00 0.99 O ATOM 868 CB ASP A 54 -5.539 3.921 -13.319 1.00 1.49 C ATOM 869 CG ASP A 54 -5.094 3.651 -14.762 1.00 2.00 C ATOM 870 OD1 ASP A 54 -3.965 3.152 -14.969 1.00 2.42 O ATOM 871 OD2 ASP A 54 -5.966 3.755 -15.651 1.00 3.03 O ATOM 0 H ASP A 54 -7.359 3.342 -11.623 1.00 1.04 H new ATOM 0 HA ASP A 54 -5.725 1.825 -13.365 1.00 1.11 H new ATOM 0 HB2 ASP A 54 -6.500 4.435 -13.309 1.00 1.49 H new ATOM 0 HB3 ASP A 54 -4.824 4.573 -12.818 1.00 1.49 H new ATOM 876 N LEU A 55 -4.395 2.451 -10.466 1.00 0.86 N ATOM 877 CA LEU A 55 -3.349 1.934 -9.588 1.00 0.88 C ATOM 878 C LEU A 55 -3.373 0.387 -9.538 1.00 0.90 C ATOM 879 O LEU A 55 -2.377 -0.256 -9.872 1.00 0.99 O ATOM 880 CB LEU A 55 -3.461 2.620 -8.213 1.00 0.92 C ATOM 881 CG LEU A 55 -3.414 4.160 -8.226 1.00 1.00 C ATOM 882 CD1 LEU A 55 -3.456 4.680 -6.782 1.00 1.18 C ATOM 883 CD2 LEU A 55 -2.156 4.698 -8.930 1.00 1.08 C ATOM 0 H LEU A 55 -5.120 2.983 -9.984 1.00 0.86 H new ATOM 0 HA LEU A 55 -2.364 2.179 -9.984 1.00 0.88 H new ATOM 0 HB2 LEU A 55 -4.396 2.308 -7.747 1.00 0.92 H new ATOM 0 HB3 LEU A 55 -2.652 2.256 -7.579 1.00 0.92 H new ATOM 0 HG LEU A 55 -4.279 4.514 -8.786 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -3.423 5.769 -6.787 1.00 1.18 H new ATOM 0 HD12 LEU A 55 -4.376 4.347 -6.302 1.00 1.18 H new ATOM 0 HD13 LEU A 55 -2.599 4.293 -6.231 1.00 1.18 H new ATOM 0 HD21 LEU A 55 -2.168 5.788 -8.914 1.00 1.08 H new ATOM 0 HD22 LEU A 55 -1.267 4.337 -8.413 1.00 1.08 H new ATOM 0 HD23 LEU A 55 -2.141 4.351 -9.963 1.00 1.08 H new ATOM 895 N MET A 56 -4.520 -0.230 -9.206 1.00 0.91 N ATOM 896 CA MET A 56 -4.727 -1.701 -9.209 1.00 1.04 C ATOM 897 C MET A 56 -4.403 -2.382 -10.557 1.00 1.08 C ATOM 898 O MET A 56 -4.053 -3.568 -10.603 1.00 1.47 O ATOM 899 CB MET A 56 -6.199 -2.002 -8.868 1.00 1.15 C ATOM 900 CG MET A 56 -6.621 -1.620 -7.446 1.00 1.27 C ATOM 901 SD MET A 56 -6.154 -2.797 -6.157 1.00 1.64 S ATOM 902 CE MET A 56 -4.735 -1.924 -5.466 1.00 1.57 C ATOM 0 H MET A 56 -5.352 0.286 -8.921 1.00 0.91 H new ATOM 0 HA MET A 56 -4.036 -2.104 -8.469 1.00 1.04 H new ATOM 0 HB2 MET A 56 -6.837 -1.472 -9.576 1.00 1.15 H new ATOM 0 HB3 MET A 56 -6.380 -3.067 -9.012 1.00 1.15 H new ATOM 0 HG2 MET A 56 -6.186 -0.650 -7.204 1.00 1.27 H new ATOM 0 HG3 MET A 56 -7.704 -1.497 -7.427 1.00 1.27 H new ATOM 0 HE1 MET A 56 -4.455 -2.380 -4.516 1.00 1.57 H new ATOM 0 HE2 MET A 56 -3.897 -1.986 -6.160 1.00 1.57 H new ATOM 0 HE3 MET A 56 -4.995 -0.878 -5.304 1.00 1.57 H new ATOM 912 N LYS A 57 -4.540 -1.636 -11.655 1.00 0.91 N ATOM 913 CA LYS A 57 -4.444 -2.039 -13.062 1.00 1.11 C ATOM 914 C LYS A 57 -3.079 -1.688 -13.699 1.00 1.19 C ATOM 915 O LYS A 57 -2.655 -2.366 -14.642 1.00 1.40 O ATOM 916 CB LYS A 57 -5.675 -1.387 -13.725 1.00 1.38 C ATOM 917 CG LYS A 57 -6.003 -1.708 -15.186 1.00 1.64 C ATOM 918 CD LYS A 57 -5.349 -0.765 -16.203 1.00 3.18 C ATOM 919 CE LYS A 57 -5.551 0.741 -15.943 1.00 4.74 C ATOM 920 NZ LYS A 57 -6.963 1.187 -15.792 1.00 5.68 N ATOM 0 H LYS A 57 -4.740 -0.639 -11.575 1.00 0.91 H new ATOM 0 HA LYS A 57 -4.466 -3.120 -13.200 1.00 1.11 H new ATOM 0 HB2 LYS A 57 -6.547 -1.654 -13.128 1.00 1.38 H new ATOM 0 HB3 LYS A 57 -5.554 -0.307 -13.647 1.00 1.38 H new ATOM 0 HG2 LYS A 57 -5.688 -2.729 -15.401 1.00 1.64 H new ATOM 0 HG3 LYS A 57 -7.084 -1.673 -15.319 1.00 1.64 H new ATOM 0 HD2 LYS A 57 -4.279 -0.971 -16.226 1.00 3.18 H new ATOM 0 HD3 LYS A 57 -5.740 -1.000 -17.193 1.00 3.18 H new ATOM 0 HE2 LYS A 57 -5.005 1.011 -15.039 1.00 4.74 H new ATOM 0 HE3 LYS A 57 -5.100 1.296 -16.765 1.00 4.74 H new ATOM 0 HZ1 LYS A 57 -6.997 2.226 -15.757 1.00 5.68 H new ATOM 0 HZ2 LYS A 57 -7.522 0.849 -16.601 1.00 5.68 H new ATOM 0 HZ3 LYS A 57 -7.358 0.798 -14.912 1.00 5.68 H new ATOM 934 N SER A 58 -2.347 -0.710 -13.153 1.00 1.10 N ATOM 935 CA SER A 58 -0.958 -0.342 -13.492 1.00 1.22 C ATOM 936 C SER A 58 0.091 -1.244 -12.825 1.00 1.22 C ATOM 937 O SER A 58 1.069 -1.628 -13.470 1.00 1.48 O ATOM 938 CB SER A 58 -0.692 1.140 -13.176 1.00 1.26 C ATOM 939 OG SER A 58 0.591 1.528 -13.636 1.00 1.54 O ATOM 0 H SER A 58 -2.727 -0.115 -12.417 1.00 1.10 H new ATOM 0 HA SER A 58 -0.853 -0.499 -14.566 1.00 1.22 H new ATOM 0 HB2 SER A 58 -1.455 1.760 -13.646 1.00 1.26 H new ATOM 0 HB3 SER A 58 -0.764 1.306 -12.101 1.00 1.26 H new ATOM 0 HG SER A 58 0.741 2.474 -13.427 1.00 1.54 H new ATOM 945 N LEU A 59 -0.119 -1.685 -11.578 1.00 1.08 N ATOM 946 CA LEU A 59 0.782 -2.650 -10.920 1.00 1.15 C ATOM 947 C LEU A 59 0.926 -3.933 -11.742 1.00 1.21 C ATOM 948 O LEU A 59 2.023 -4.449 -11.964 1.00 1.36 O ATOM 949 CB LEU A 59 0.222 -2.963 -9.518 1.00 1.14 C ATOM 950 CG LEU A 59 0.358 -1.825 -8.491 1.00 1.14 C ATOM 951 CD1 LEU A 59 -0.019 -2.375 -7.111 1.00 1.17 C ATOM 952 CD2 LEU A 59 1.756 -1.191 -8.483 1.00 1.32 C ATOM 0 H LEU A 59 -0.906 -1.390 -11.000 1.00 1.08 H new ATOM 0 HA LEU A 59 1.777 -2.212 -10.837 1.00 1.15 H new ATOM 0 HB2 LEU A 59 -0.833 -3.220 -9.614 1.00 1.14 H new ATOM 0 HB3 LEU A 59 0.731 -3.845 -9.129 1.00 1.14 H new ATOM 0 HG LEU A 59 -0.320 -1.019 -8.771 1.00 1.14 H new ATOM 0 HD11 LEU A 59 0.071 -1.584 -6.367 1.00 1.17 H new ATOM 0 HD12 LEU A 59 -1.046 -2.738 -7.132 1.00 1.17 H new ATOM 0 HD13 LEU A 59 0.650 -3.195 -6.851 1.00 1.17 H new ATOM 0 HD21 LEU A 59 1.790 -0.395 -7.739 1.00 1.32 H new ATOM 0 HD22 LEU A 59 2.498 -1.950 -8.237 1.00 1.32 H new ATOM 0 HD23 LEU A 59 1.973 -0.777 -9.468 1.00 1.32 H new ATOM 964 N ASP A 60 -0.215 -4.392 -12.234 1.00 1.22 N ATOM 965 CA ASP A 60 -0.414 -5.548 -13.087 1.00 1.36 C ATOM 966 C ASP A 60 0.106 -5.378 -14.533 1.00 1.38 C ATOM 967 O ASP A 60 -0.219 -6.174 -15.406 1.00 1.58 O ATOM 968 CB ASP A 60 -1.912 -5.911 -13.022 1.00 1.43 C ATOM 969 CG ASP A 60 -2.101 -7.414 -12.794 1.00 2.03 C ATOM 970 OD1 ASP A 60 -1.751 -8.202 -13.695 1.00 2.94 O ATOM 971 OD2 ASP A 60 -2.508 -7.770 -11.663 1.00 2.67 O ATOM 0 H ASP A 60 -1.098 -3.924 -12.028 1.00 1.22 H new ATOM 0 HA ASP A 60 0.195 -6.371 -12.713 1.00 1.36 H new ATOM 0 HB2 ASP A 60 -2.391 -5.354 -12.217 1.00 1.43 H new ATOM 0 HB3 ASP A 60 -2.403 -5.615 -13.949 1.00 1.43 H new ATOM 976 N LYS A 61 0.836 -4.302 -14.864 1.00 1.44 N ATOM 977 CA LYS A 61 1.547 -4.194 -16.152 1.00 1.54 C ATOM 978 C LYS A 61 2.908 -4.899 -16.136 1.00 1.62 C ATOM 979 O LYS A 61 3.270 -5.514 -17.131 1.00 1.78 O ATOM 980 CB LYS A 61 1.673 -2.720 -16.572 1.00 1.62 C ATOM 981 CG LYS A 61 0.348 -1.941 -16.646 1.00 1.80 C ATOM 982 CD LYS A 61 -0.569 -2.227 -17.844 1.00 2.17 C ATOM 983 CE LYS A 61 -1.123 -3.655 -17.965 1.00 3.76 C ATOM 984 NZ LYS A 61 -1.767 -4.118 -16.713 1.00 5.25 N ATOM 0 H LYS A 61 0.951 -3.491 -14.257 1.00 1.44 H new ATOM 0 HA LYS A 61 0.949 -4.715 -16.900 1.00 1.54 H new ATOM 0 HB2 LYS A 61 2.334 -2.214 -15.868 1.00 1.62 H new ATOM 0 HB3 LYS A 61 2.155 -2.678 -17.549 1.00 1.62 H new ATOM 0 HG2 LYS A 61 -0.214 -2.144 -15.734 1.00 1.80 H new ATOM 0 HG3 LYS A 61 0.582 -0.876 -16.646 1.00 1.80 H new ATOM 0 HD2 LYS A 61 -1.412 -1.538 -17.799 1.00 2.17 H new ATOM 0 HD3 LYS A 61 -0.018 -1.998 -18.756 1.00 2.17 H new ATOM 0 HE2 LYS A 61 -1.847 -3.693 -18.779 1.00 3.76 H new ATOM 0 HE3 LYS A 61 -0.313 -4.335 -18.227 1.00 3.76 H new ATOM 0 HZ1 LYS A 61 -1.267 -4.957 -16.355 1.00 5.25 H new ATOM 0 HZ2 LYS A 61 -1.726 -3.361 -16.001 1.00 5.25 H new ATOM 0 HZ3 LYS A 61 -2.760 -4.361 -16.903 1.00 5.25 H new ATOM 998 N ASN A 62 3.640 -4.847 -15.022 1.00 1.70 N ATOM 999 CA ASN A 62 4.814 -5.693 -14.776 1.00 1.83 C ATOM 1000 C ASN A 62 4.353 -7.013 -14.124 1.00 1.52 C ATOM 1001 O ASN A 62 4.763 -8.096 -14.516 1.00 2.18 O ATOM 1002 CB ASN A 62 5.836 -4.966 -13.872 1.00 2.16 C ATOM 1003 CG ASN A 62 5.845 -3.445 -13.998 1.00 3.09 C ATOM 1004 OD1 ASN A 62 4.916 -2.776 -13.565 1.00 3.86 O ATOM 1005 ND2 ASN A 62 6.877 -2.866 -14.584 1.00 3.85 N ATOM 0 H ASN A 62 3.433 -4.209 -14.254 1.00 1.70 H new ATOM 0 HA ASN A 62 5.308 -5.908 -15.724 1.00 1.83 H new ATOM 0 HB2 ASN A 62 5.630 -5.228 -12.834 1.00 2.16 H new ATOM 0 HB3 ASN A 62 6.833 -5.340 -14.104 1.00 2.16 H new ATOM 0 HD21 ASN A 62 6.906 -1.851 -14.680 1.00 3.85 H new ATOM 0 HD22 ASN A 62 7.645 -3.434 -14.941 1.00 3.85 H new ATOM 1012 N SER A 63 3.464 -6.881 -13.137 1.00 1.31 N ATOM 1013 CA SER A 63 2.704 -7.891 -12.398 1.00 1.23 C ATOM 1014 C SER A 63 3.525 -8.910 -11.587 1.00 1.12 C ATOM 1015 O SER A 63 3.461 -8.925 -10.353 1.00 1.34 O ATOM 1016 CB SER A 63 1.680 -8.580 -13.321 1.00 1.59 C ATOM 1017 OG SER A 63 0.517 -8.903 -12.583 1.00 1.94 O ATOM 0 H SER A 63 3.232 -5.948 -12.796 1.00 1.31 H new ATOM 0 HA SER A 63 2.183 -7.328 -11.623 1.00 1.23 H new ATOM 0 HB2 SER A 63 1.425 -7.923 -14.152 1.00 1.59 H new ATOM 0 HB3 SER A 63 2.113 -9.483 -13.751 1.00 1.59 H new ATOM 0 HG SER A 63 -0.249 -8.967 -13.191 1.00 1.94 H new ATOM 1023 N ASP A 64 4.318 -9.727 -12.276 1.00 1.04 N ATOM 1024 CA ASP A 64 5.045 -10.905 -11.784 1.00 1.13 C ATOM 1025 C ASP A 64 6.523 -10.534 -11.605 1.00 1.06 C ATOM 1026 O ASP A 64 7.455 -11.169 -12.101 1.00 1.46 O ATOM 1027 CB ASP A 64 4.797 -12.086 -12.732 1.00 1.45 C ATOM 1028 CG ASP A 64 3.306 -12.426 -12.752 1.00 2.27 C ATOM 1029 OD1 ASP A 64 2.781 -12.895 -11.714 1.00 3.19 O ATOM 1030 OD2 ASP A 64 2.627 -12.118 -13.753 1.00 2.93 O ATOM 0 H ASP A 64 4.485 -9.575 -13.271 1.00 1.04 H new ATOM 0 HA ASP A 64 4.686 -11.226 -10.806 1.00 1.13 H new ATOM 0 HB2 ASP A 64 5.136 -11.836 -13.737 1.00 1.45 H new ATOM 0 HB3 ASP A 64 5.373 -12.953 -12.408 1.00 1.45 H new ATOM 1035 N GLN A 65 6.706 -9.383 -10.968 1.00 1.04 N ATOM 1036 CA GLN A 65 7.947 -8.645 -10.857 1.00 0.94 C ATOM 1037 C GLN A 65 7.972 -7.932 -9.521 1.00 0.94 C ATOM 1038 O GLN A 65 6.917 -7.641 -8.950 1.00 0.96 O ATOM 1039 CB GLN A 65 7.981 -7.567 -11.936 1.00 1.08 C ATOM 1040 CG GLN A 65 8.187 -8.082 -13.370 1.00 1.68 C ATOM 1041 CD GLN A 65 9.576 -8.683 -13.582 1.00 3.22 C ATOM 1042 OE1 GLN A 65 10.486 -8.027 -14.055 1.00 4.11 O ATOM 1043 NE2 GLN A 65 9.802 -9.928 -13.226 1.00 4.52 N ATOM 0 H GLN A 65 5.938 -8.915 -10.486 1.00 1.04 H new ATOM 0 HA GLN A 65 8.788 -9.331 -10.958 1.00 0.94 H new ATOM 0 HB2 GLN A 65 7.046 -7.008 -11.899 1.00 1.08 H new ATOM 0 HB3 GLN A 65 8.781 -6.865 -11.701 1.00 1.08 H new ATOM 0 HG2 GLN A 65 7.431 -8.834 -13.595 1.00 1.68 H new ATOM 0 HG3 GLN A 65 8.039 -7.262 -14.072 1.00 1.68 H new ATOM 0 HE21 GLN A 65 9.049 -10.489 -12.828 1.00 4.52 H new ATOM 0 HE22 GLN A 65 10.730 -10.333 -13.347 1.00 4.52 H new ATOM 1052 N GLU A 66 9.171 -7.610 -9.051 1.00 1.06 N ATOM 1053 CA GLU A 66 9.325 -7.200 -7.673 1.00 1.01 C ATOM 1054 C GLU A 66 9.073 -5.707 -7.452 1.00 1.04 C ATOM 1055 O GLU A 66 9.410 -4.849 -8.269 1.00 1.17 O ATOM 1056 CB GLU A 66 10.676 -7.654 -7.096 1.00 1.08 C ATOM 1057 CG GLU A 66 10.846 -9.181 -7.151 1.00 1.18 C ATOM 1058 CD GLU A 66 12.248 -9.602 -6.722 1.00 1.56 C ATOM 1059 OE1 GLU A 66 12.567 -9.366 -5.533 1.00 2.21 O ATOM 1060 OE2 GLU A 66 12.980 -10.125 -7.590 1.00 2.62 O ATOM 0 H GLU A 66 10.032 -7.626 -9.597 1.00 1.06 H new ATOM 0 HA GLU A 66 8.542 -7.712 -7.114 1.00 1.01 H new ATOM 0 HB2 GLU A 66 11.485 -7.180 -7.652 1.00 1.08 H new ATOM 0 HB3 GLU A 66 10.760 -7.318 -6.063 1.00 1.08 H new ATOM 0 HG2 GLU A 66 10.108 -9.654 -6.503 1.00 1.18 H new ATOM 0 HG3 GLU A 66 10.653 -9.534 -8.164 1.00 1.18 H new ATOM 1067 N ILE A 67 8.470 -5.422 -6.304 1.00 1.00 N ATOM 1068 CA ILE A 67 8.450 -4.123 -5.630 1.00 0.95 C ATOM 1069 C ILE A 67 8.975 -4.213 -4.192 1.00 0.89 C ATOM 1070 O ILE A 67 9.035 -5.287 -3.588 1.00 0.74 O ATOM 1071 CB ILE A 67 7.056 -3.448 -5.690 1.00 1.07 C ATOM 1072 CG1 ILE A 67 5.812 -4.361 -5.696 1.00 1.43 C ATOM 1073 CG2 ILE A 67 6.973 -2.611 -6.956 1.00 1.68 C ATOM 1074 CD1 ILE A 67 5.576 -5.005 -4.343 1.00 2.20 C ATOM 0 H ILE A 67 7.951 -6.131 -5.786 1.00 1.00 H new ATOM 0 HA ILE A 67 9.135 -3.479 -6.183 1.00 0.95 H new ATOM 0 HB ILE A 67 7.011 -2.890 -4.755 1.00 1.07 H new ATOM 0 HG12 ILE A 67 4.935 -3.778 -5.978 1.00 1.43 H new ATOM 0 HG13 ILE A 67 5.935 -5.137 -6.451 1.00 1.43 H new ATOM 0 HG21 ILE A 67 5.996 -2.130 -7.011 1.00 1.68 H new ATOM 0 HG22 ILE A 67 7.752 -1.849 -6.940 1.00 1.68 H new ATOM 0 HG23 ILE A 67 7.111 -3.253 -7.826 1.00 1.68 H new ATOM 0 HD11 ILE A 67 4.691 -5.639 -4.391 1.00 2.20 H new ATOM 0 HD12 ILE A 67 6.441 -5.610 -4.072 1.00 2.20 H new ATOM 0 HD13 ILE A 67 5.426 -4.229 -3.592 1.00 2.20 H new ATOM 1086 N ASP A 68 9.348 -3.046 -3.666 1.00 1.10 N ATOM 1087 CA ASP A 68 10.006 -2.840 -2.380 1.00 0.95 C ATOM 1088 C ASP A 68 9.168 -1.958 -1.427 1.00 0.91 C ATOM 1089 O ASP A 68 8.090 -1.466 -1.770 1.00 1.23 O ATOM 1090 CB ASP A 68 11.374 -2.183 -2.657 1.00 1.03 C ATOM 1091 CG ASP A 68 11.288 -0.654 -2.781 1.00 1.29 C ATOM 1092 OD1 ASP A 68 10.444 -0.134 -3.551 1.00 2.68 O ATOM 1093 OD2 ASP A 68 11.984 0.020 -1.993 1.00 1.71 O ATOM 0 H ASP A 68 9.188 -2.167 -4.158 1.00 1.10 H new ATOM 0 HA ASP A 68 10.126 -3.802 -1.881 1.00 0.95 H new ATOM 0 HB2 ASP A 68 12.064 -2.439 -1.853 1.00 1.03 H new ATOM 0 HB3 ASP A 68 11.790 -2.594 -3.577 1.00 1.03 H new ATOM 1098 N PHE A 69 9.718 -1.676 -0.243 1.00 0.78 N ATOM 1099 CA PHE A 69 9.107 -0.797 0.757 1.00 0.86 C ATOM 1100 C PHE A 69 8.842 0.642 0.257 1.00 0.83 C ATOM 1101 O PHE A 69 7.908 1.300 0.724 1.00 0.86 O ATOM 1102 CB PHE A 69 10.002 -0.785 2.004 1.00 0.95 C ATOM 1103 CG PHE A 69 9.223 -0.867 3.301 1.00 1.14 C ATOM 1104 CD1 PHE A 69 8.504 0.242 3.794 1.00 2.70 C ATOM 1105 CD2 PHE A 69 9.203 -2.083 4.004 1.00 1.91 C ATOM 1106 CE1 PHE A 69 7.793 0.141 5.000 1.00 3.22 C ATOM 1107 CE2 PHE A 69 8.486 -2.184 5.205 1.00 2.61 C ATOM 1108 CZ PHE A 69 7.788 -1.073 5.708 1.00 2.74 C ATOM 0 H PHE A 69 10.616 -2.059 0.052 1.00 0.78 H new ATOM 0 HA PHE A 69 8.121 -1.200 0.987 1.00 0.86 H new ATOM 0 HB2 PHE A 69 10.697 -1.623 1.952 1.00 0.95 H new ATOM 0 HB3 PHE A 69 10.600 0.126 2.005 1.00 0.95 H new ATOM 0 HD1 PHE A 69 8.501 1.171 3.242 1.00 2.70 H new ATOM 0 HD2 PHE A 69 9.739 -2.939 3.620 1.00 1.91 H new ATOM 0 HE1 PHE A 69 7.251 0.994 5.383 1.00 3.22 H new ATOM 0 HE2 PHE A 69 8.470 -3.119 5.745 1.00 2.61 H new ATOM 0 HZ PHE A 69 7.247 -1.152 6.639 1.00 2.74 H new ATOM 1118 N LYS A 70 9.617 1.155 -0.707 1.00 0.81 N ATOM 1119 CA LYS A 70 9.457 2.505 -1.256 1.00 0.80 C ATOM 1120 C LYS A 70 8.254 2.565 -2.198 1.00 0.71 C ATOM 1121 O LYS A 70 7.409 3.447 -2.069 1.00 0.68 O ATOM 1122 CB LYS A 70 10.731 2.859 -2.024 1.00 0.87 C ATOM 1123 CG LYS A 70 10.802 4.322 -2.516 1.00 1.47 C ATOM 1124 CD LYS A 70 11.089 4.406 -4.022 1.00 2.43 C ATOM 1125 CE LYS A 70 9.885 3.893 -4.823 1.00 4.37 C ATOM 1126 NZ LYS A 70 10.135 3.817 -6.281 1.00 5.72 N ATOM 0 H LYS A 70 10.384 0.635 -1.133 1.00 0.81 H new ATOM 0 HA LYS A 70 9.287 3.214 -0.445 1.00 0.80 H new ATOM 0 HB2 LYS A 70 11.591 2.663 -1.384 1.00 0.87 H new ATOM 0 HB3 LYS A 70 10.816 2.196 -2.885 1.00 0.87 H new ATOM 0 HG2 LYS A 70 9.860 4.825 -2.297 1.00 1.47 H new ATOM 0 HG3 LYS A 70 11.581 4.852 -1.968 1.00 1.47 H new ATOM 0 HD2 LYS A 70 11.307 5.437 -4.301 1.00 2.43 H new ATOM 0 HD3 LYS A 70 11.973 3.816 -4.264 1.00 2.43 H new ATOM 0 HE2 LYS A 70 9.610 2.904 -4.457 1.00 4.37 H new ATOM 0 HE3 LYS A 70 9.033 4.548 -4.642 1.00 4.37 H new ATOM 0 HZ1 LYS A 70 9.277 3.480 -6.763 1.00 5.72 H new ATOM 0 HZ2 LYS A 70 10.386 4.760 -6.640 1.00 5.72 H new ATOM 0 HZ3 LYS A 70 10.918 3.157 -6.465 1.00 5.72 H new ATOM 1140 N GLU A 71 8.179 1.618 -3.132 1.00 0.72 N ATOM 1141 CA GLU A 71 7.048 1.431 -4.043 1.00 0.64 C ATOM 1142 C GLU A 71 5.761 1.213 -3.249 1.00 0.59 C ATOM 1143 O GLU A 71 4.726 1.804 -3.541 1.00 0.63 O ATOM 1144 CB GLU A 71 7.339 0.221 -4.931 1.00 0.76 C ATOM 1145 CG GLU A 71 8.415 0.549 -5.968 1.00 0.91 C ATOM 1146 CD GLU A 71 7.810 1.225 -7.203 1.00 1.61 C ATOM 1147 OE1 GLU A 71 7.096 0.548 -7.980 1.00 2.26 O ATOM 1148 OE2 GLU A 71 8.064 2.447 -7.328 1.00 2.75 O ATOM 0 H GLU A 71 8.925 0.939 -3.281 1.00 0.72 H new ATOM 0 HA GLU A 71 6.915 2.319 -4.661 1.00 0.64 H new ATOM 0 HB2 GLU A 71 7.666 -0.617 -4.315 1.00 0.76 H new ATOM 0 HB3 GLU A 71 6.425 -0.092 -5.436 1.00 0.76 H new ATOM 0 HG2 GLU A 71 9.165 1.203 -5.523 1.00 0.91 H new ATOM 0 HG3 GLU A 71 8.927 -0.366 -6.266 1.00 0.91 H new ATOM 1155 N TYR A 72 5.866 0.442 -2.170 1.00 0.58 N ATOM 1156 CA TYR A 72 4.755 0.187 -1.248 1.00 0.52 C ATOM 1157 C TYR A 72 4.300 1.477 -0.549 1.00 0.51 C ATOM 1158 O TYR A 72 3.123 1.835 -0.591 1.00 0.50 O ATOM 1159 CB TYR A 72 5.224 -0.906 -0.279 1.00 0.59 C ATOM 1160 CG TYR A 72 4.434 -1.109 1.001 1.00 0.62 C ATOM 1161 CD1 TYR A 72 3.311 -1.959 1.014 1.00 1.60 C ATOM 1162 CD2 TYR A 72 4.909 -0.569 2.214 1.00 2.33 C ATOM 1163 CE1 TYR A 72 2.687 -2.299 2.227 1.00 1.54 C ATOM 1164 CE2 TYR A 72 4.290 -0.904 3.433 1.00 2.48 C ATOM 1165 CZ TYR A 72 3.192 -1.793 3.443 1.00 0.91 C ATOM 1166 OH TYR A 72 2.650 -2.204 4.619 1.00 1.12 O ATOM 0 H TYR A 72 6.731 -0.029 -1.906 1.00 0.58 H new ATOM 0 HA TYR A 72 3.868 -0.161 -1.777 1.00 0.52 H new ATOM 0 HB2 TYR A 72 5.231 -1.852 -0.821 1.00 0.59 H new ATOM 0 HB3 TYR A 72 6.256 -0.688 -0.004 1.00 0.59 H new ATOM 0 HD1 TYR A 72 2.926 -2.353 0.085 1.00 1.60 H new ATOM 0 HD2 TYR A 72 5.753 0.105 2.208 1.00 2.33 H new ATOM 0 HE1 TYR A 72 1.823 -2.946 2.228 1.00 1.54 H new ATOM 0 HE2 TYR A 72 4.654 -0.482 4.358 1.00 2.48 H new ATOM 0 HH TYR A 72 3.111 -1.763 5.363 1.00 1.12 H new ATOM 1176 N SER A 73 5.233 2.228 0.043 1.00 0.55 N ATOM 1177 CA SER A 73 4.947 3.488 0.730 1.00 0.59 C ATOM 1178 C SER A 73 4.443 4.598 -0.214 1.00 0.56 C ATOM 1179 O SER A 73 3.450 5.245 0.135 1.00 0.58 O ATOM 1180 CB SER A 73 6.158 3.930 1.561 1.00 0.66 C ATOM 1181 OG SER A 73 7.330 3.997 0.786 1.00 1.13 O ATOM 0 H SER A 73 6.221 1.974 0.058 1.00 0.55 H new ATOM 0 HA SER A 73 4.117 3.302 1.411 1.00 0.59 H new ATOM 0 HB2 SER A 73 5.958 4.906 2.002 1.00 0.66 H new ATOM 0 HB3 SER A 73 6.307 3.232 2.385 1.00 0.66 H new ATOM 0 HG SER A 73 7.750 3.112 0.751 1.00 1.13 H new ATOM 1187 N VAL A 74 5.019 4.795 -1.413 1.00 0.56 N ATOM 1188 CA VAL A 74 4.521 5.800 -2.373 1.00 0.58 C ATOM 1189 C VAL A 74 3.145 5.457 -2.931 1.00 0.60 C ATOM 1190 O VAL A 74 2.409 6.391 -3.239 1.00 0.68 O ATOM 1191 CB VAL A 74 5.443 6.107 -3.575 1.00 0.62 C ATOM 1192 CG1 VAL A 74 6.783 6.687 -3.136 1.00 0.67 C ATOM 1193 CG2 VAL A 74 5.646 4.959 -4.568 1.00 0.64 C ATOM 0 H VAL A 74 5.830 4.272 -1.742 1.00 0.56 H new ATOM 0 HA VAL A 74 4.482 6.693 -1.750 1.00 0.58 H new ATOM 0 HB VAL A 74 4.890 6.864 -4.131 1.00 0.62 H new ATOM 0 HG11 VAL A 74 7.398 6.887 -4.013 1.00 0.67 H new ATOM 0 HG12 VAL A 74 6.616 7.616 -2.590 1.00 0.67 H new ATOM 0 HG13 VAL A 74 7.294 5.973 -2.490 1.00 0.67 H new ATOM 0 HG21 VAL A 74 6.309 5.284 -5.370 1.00 0.64 H new ATOM 0 HG22 VAL A 74 6.090 4.107 -4.053 1.00 0.64 H new ATOM 0 HG23 VAL A 74 4.684 4.667 -4.989 1.00 0.64 H new ATOM 1203 N PHE A 75 2.796 4.172 -3.065 1.00 0.58 N ATOM 1204 CA PHE A 75 1.477 3.724 -3.512 1.00 0.56 C ATOM 1205 C PHE A 75 0.440 3.943 -2.410 1.00 0.54 C ATOM 1206 O PHE A 75 -0.566 4.599 -2.661 1.00 0.59 O ATOM 1207 CB PHE A 75 1.575 2.245 -3.921 1.00 0.56 C ATOM 1208 CG PHE A 75 0.351 1.682 -4.610 1.00 0.50 C ATOM 1209 CD1 PHE A 75 -0.789 1.289 -3.878 1.00 1.86 C ATOM 1210 CD2 PHE A 75 0.365 1.519 -6.006 1.00 1.79 C ATOM 1211 CE1 PHE A 75 -1.889 0.712 -4.539 1.00 1.91 C ATOM 1212 CE2 PHE A 75 -0.737 0.954 -6.663 1.00 1.74 C ATOM 1213 CZ PHE A 75 -1.861 0.529 -5.930 1.00 0.52 C ATOM 0 H PHE A 75 3.435 3.403 -2.862 1.00 0.58 H new ATOM 0 HA PHE A 75 1.151 4.305 -4.375 1.00 0.56 H new ATOM 0 HB2 PHE A 75 2.432 2.124 -4.583 1.00 0.56 H new ATOM 0 HB3 PHE A 75 1.775 1.651 -3.029 1.00 0.56 H new ATOM 0 HD1 PHE A 75 -0.818 1.431 -2.808 1.00 1.86 H new ATOM 0 HD2 PHE A 75 1.229 1.830 -6.575 1.00 1.79 H new ATOM 0 HE1 PHE A 75 -2.758 0.409 -3.974 1.00 1.91 H new ATOM 0 HE2 PHE A 75 -0.723 0.844 -7.737 1.00 1.74 H new ATOM 0 HZ PHE A 75 -2.696 0.065 -6.435 1.00 0.52 H new ATOM 1223 N LEU A 76 0.711 3.486 -1.179 1.00 0.50 N ATOM 1224 CA LEU A 76 -0.128 3.756 -0.003 1.00 0.50 C ATOM 1225 C LEU A 76 -0.373 5.251 0.199 1.00 0.51 C ATOM 1226 O LEU A 76 -1.520 5.661 0.375 1.00 0.54 O ATOM 1227 CB LEU A 76 0.552 3.174 1.247 1.00 0.53 C ATOM 1228 CG LEU A 76 0.529 1.639 1.335 1.00 0.60 C ATOM 1229 CD1 LEU A 76 1.485 1.215 2.455 1.00 1.08 C ATOM 1230 CD2 LEU A 76 -0.886 1.111 1.607 1.00 0.68 C ATOM 0 H LEU A 76 1.528 2.912 -0.970 1.00 0.50 H new ATOM 0 HA LEU A 76 -1.096 3.284 -0.168 1.00 0.50 H new ATOM 0 HB2 LEU A 76 1.589 3.510 1.270 1.00 0.53 H new ATOM 0 HB3 LEU A 76 0.065 3.582 2.132 1.00 0.53 H new ATOM 0 HG LEU A 76 0.846 1.216 0.382 1.00 0.60 H new ATOM 0 HD11 LEU A 76 1.488 0.128 2.539 1.00 1.08 H new ATOM 0 HD12 LEU A 76 2.492 1.564 2.225 1.00 1.08 H new ATOM 0 HD13 LEU A 76 1.156 1.651 3.398 1.00 1.08 H new ATOM 0 HD21 LEU A 76 -0.864 0.023 1.663 1.00 0.68 H new ATOM 0 HD22 LEU A 76 -1.250 1.515 2.552 1.00 0.68 H new ATOM 0 HD23 LEU A 76 -1.551 1.419 0.800 1.00 0.68 H new ATOM 1242 N THR A 77 0.681 6.065 0.118 1.00 0.52 N ATOM 1243 CA THR A 77 0.595 7.524 0.225 1.00 0.54 C ATOM 1244 C THR A 77 -0.228 8.111 -0.917 1.00 0.54 C ATOM 1245 O THR A 77 -1.201 8.805 -0.661 1.00 0.56 O ATOM 1246 CB THR A 77 1.998 8.123 0.316 1.00 0.59 C ATOM 1247 OG1 THR A 77 2.556 7.664 1.519 1.00 0.66 O ATOM 1248 CG2 THR A 77 1.960 9.643 0.333 1.00 0.69 C ATOM 0 H THR A 77 1.632 5.725 -0.026 1.00 0.52 H new ATOM 0 HA THR A 77 0.069 7.787 1.143 1.00 0.54 H new ATOM 0 HB THR A 77 2.584 7.822 -0.553 1.00 0.59 H new ATOM 0 HG1 THR A 77 2.972 6.789 1.374 1.00 0.66 H new ATOM 0 HG21 THR A 77 2.976 10.032 0.398 1.00 0.69 H new ATOM 0 HG22 THR A 77 1.491 10.005 -0.582 1.00 0.69 H new ATOM 0 HG23 THR A 77 1.385 9.983 1.195 1.00 0.69 H new ATOM 1256 N MET A 78 0.090 7.770 -2.167 1.00 0.59 N ATOM 1257 CA MET A 78 -0.657 8.219 -3.358 1.00 0.61 C ATOM 1258 C MET A 78 -2.156 7.933 -3.264 1.00 0.64 C ATOM 1259 O MET A 78 -2.976 8.770 -3.635 1.00 0.69 O ATOM 1260 CB MET A 78 -0.065 7.495 -4.569 1.00 0.60 C ATOM 1261 CG MET A 78 -0.588 7.908 -5.936 1.00 1.06 C ATOM 1262 SD MET A 78 0.641 7.631 -7.241 1.00 1.13 S ATOM 1263 CE MET A 78 0.866 5.836 -7.093 1.00 1.08 C ATOM 0 H MET A 78 0.882 7.167 -2.390 1.00 0.59 H new ATOM 0 HA MET A 78 -0.559 9.301 -3.444 1.00 0.61 H new ATOM 0 HB2 MET A 78 1.015 7.643 -4.559 1.00 0.60 H new ATOM 0 HB3 MET A 78 -0.241 6.426 -4.446 1.00 0.60 H new ATOM 0 HG2 MET A 78 -1.493 7.345 -6.164 1.00 1.06 H new ATOM 0 HG3 MET A 78 -0.865 8.962 -5.916 1.00 1.06 H new ATOM 0 HE1 MET A 78 1.109 5.418 -8.070 1.00 1.08 H new ATOM 0 HE2 MET A 78 1.679 5.627 -6.397 1.00 1.08 H new ATOM 0 HE3 MET A 78 -0.054 5.383 -6.723 1.00 1.08 H new ATOM 1273 N LEU A 79 -2.493 6.747 -2.769 1.00 0.63 N ATOM 1274 CA LEU A 79 -3.853 6.269 -2.576 1.00 0.67 C ATOM 1275 C LEU A 79 -4.533 6.925 -1.363 1.00 0.64 C ATOM 1276 O LEU A 79 -5.723 7.190 -1.444 1.00 0.73 O ATOM 1277 CB LEU A 79 -3.736 4.736 -2.530 1.00 0.89 C ATOM 1278 CG LEU A 79 -5.038 3.940 -2.423 1.00 0.81 C ATOM 1279 CD1 LEU A 79 -6.096 4.349 -3.454 1.00 1.46 C ATOM 1280 CD2 LEU A 79 -4.709 2.449 -2.606 1.00 1.57 C ATOM 0 H LEU A 79 -1.793 6.064 -2.479 1.00 0.63 H new ATOM 0 HA LEU A 79 -4.525 6.554 -3.386 1.00 0.67 H new ATOM 0 HB2 LEU A 79 -3.213 4.410 -3.429 1.00 0.89 H new ATOM 0 HB3 LEU A 79 -3.106 4.470 -1.681 1.00 0.89 H new ATOM 0 HG LEU A 79 -5.465 4.148 -1.442 1.00 0.81 H new ATOM 0 HD11 LEU A 79 -6.991 3.742 -3.317 1.00 1.46 H new ATOM 0 HD12 LEU A 79 -6.347 5.401 -3.320 1.00 1.46 H new ATOM 0 HD13 LEU A 79 -5.703 4.195 -4.459 1.00 1.46 H new ATOM 0 HD21 LEU A 79 -5.625 1.863 -2.533 1.00 1.57 H new ATOM 0 HD22 LEU A 79 -4.256 2.294 -3.585 1.00 1.57 H new ATOM 0 HD23 LEU A 79 -4.013 2.132 -1.830 1.00 1.57 H new ATOM 1292 N CYS A 80 -3.807 7.258 -0.289 1.00 0.64 N ATOM 1293 CA CYS A 80 -4.334 7.995 0.868 1.00 0.69 C ATOM 1294 C CYS A 80 -4.789 9.424 0.506 1.00 0.77 C ATOM 1295 O CYS A 80 -5.893 9.827 0.870 1.00 0.96 O ATOM 1296 CB CYS A 80 -3.249 7.965 1.957 1.00 0.74 C ATOM 1297 SG CYS A 80 -3.844 8.719 3.494 1.00 0.94 S ATOM 0 H CYS A 80 -2.820 7.019 -0.197 1.00 0.64 H new ATOM 0 HA CYS A 80 -5.241 7.517 1.238 1.00 0.69 H new ATOM 0 HB2 CYS A 80 -2.949 6.935 2.147 1.00 0.74 H new ATOM 0 HB3 CYS A 80 -2.364 8.496 1.607 1.00 0.74 H new ATOM 0 HG CYS A 80 -2.904 8.675 4.391 1.00 0.94 H new ATOM 1303 N MET A 81 -4.005 10.163 -0.284 1.00 0.80 N ATOM 1304 CA MET A 81 -4.400 11.492 -0.774 1.00 1.01 C ATOM 1305 C MET A 81 -5.643 11.438 -1.684 1.00 1.21 C ATOM 1306 O MET A 81 -6.364 12.427 -1.769 1.00 1.61 O ATOM 1307 CB MET A 81 -3.223 12.177 -1.493 1.00 1.13 C ATOM 1308 CG MET A 81 -2.203 12.823 -0.539 1.00 2.05 C ATOM 1309 SD MET A 81 -1.095 11.709 0.362 1.00 3.56 S ATOM 1310 CE MET A 81 -1.791 11.787 2.031 1.00 5.27 C ATOM 0 H MET A 81 -3.084 9.862 -0.602 1.00 0.80 H new ATOM 0 HA MET A 81 -4.673 12.087 0.098 1.00 1.01 H new ATOM 0 HB2 MET A 81 -2.711 11.442 -2.113 1.00 1.13 H new ATOM 0 HB3 MET A 81 -3.615 12.942 -2.163 1.00 1.13 H new ATOM 0 HG2 MET A 81 -1.590 13.515 -1.117 1.00 2.05 H new ATOM 0 HG3 MET A 81 -2.752 13.417 0.191 1.00 2.05 H new ATOM 0 HE1 MET A 81 -1.210 11.149 2.698 1.00 5.27 H new ATOM 0 HE2 MET A 81 -1.757 12.815 2.392 1.00 5.27 H new ATOM 0 HE3 MET A 81 -2.825 11.444 2.010 1.00 5.27 H new ATOM 1320 N ALA A 82 -5.931 10.288 -2.307 1.00 1.04 N ATOM 1321 CA ALA A 82 -7.048 10.105 -3.239 1.00 1.13 C ATOM 1322 C ALA A 82 -8.459 10.074 -2.596 1.00 1.18 C ATOM 1323 O ALA A 82 -9.441 9.865 -3.299 1.00 1.35 O ATOM 1324 CB ALA A 82 -6.774 8.858 -4.095 1.00 1.09 C ATOM 0 H ALA A 82 -5.380 9.440 -2.173 1.00 1.04 H new ATOM 0 HA ALA A 82 -7.086 10.998 -3.863 1.00 1.13 H new ATOM 0 HB1 ALA A 82 -7.597 8.708 -4.794 1.00 1.09 H new ATOM 0 HB2 ALA A 82 -5.846 8.995 -4.651 1.00 1.09 H new ATOM 0 HB3 ALA A 82 -6.684 7.985 -3.448 1.00 1.09 H new ATOM 1330 N TYR A 83 -8.552 10.281 -1.275 1.00 1.12 N ATOM 1331 CA TYR A 83 -9.804 10.423 -0.500 1.00 1.25 C ATOM 1332 C TYR A 83 -9.640 11.031 0.913 1.00 1.35 C ATOM 1333 O TYR A 83 -10.639 11.301 1.581 1.00 1.81 O ATOM 1334 CB TYR A 83 -10.548 9.080 -0.437 1.00 1.34 C ATOM 1335 CG TYR A 83 -9.668 7.916 -0.040 1.00 1.25 C ATOM 1336 CD1 TYR A 83 -9.342 7.682 1.311 1.00 1.86 C ATOM 1337 CD2 TYR A 83 -9.127 7.088 -1.038 1.00 2.53 C ATOM 1338 CE1 TYR A 83 -8.358 6.732 1.639 1.00 1.70 C ATOM 1339 CE2 TYR A 83 -8.229 6.069 -0.707 1.00 2.84 C ATOM 1340 CZ TYR A 83 -7.766 5.951 0.620 1.00 1.63 C ATOM 1341 OH TYR A 83 -6.742 5.103 0.910 1.00 2.09 O ATOM 0 H TYR A 83 -7.723 10.358 -0.686 1.00 1.12 H new ATOM 0 HA TYR A 83 -10.398 11.155 -1.046 1.00 1.25 H new ATOM 0 HB2 TYR A 83 -11.369 9.163 0.275 1.00 1.34 H new ATOM 0 HB3 TYR A 83 -10.991 8.874 -1.412 1.00 1.34 H new ATOM 0 HD1 TYR A 83 -9.846 8.231 2.093 1.00 1.86 H new ATOM 0 HD2 TYR A 83 -9.407 7.240 -2.070 1.00 2.53 H new ATOM 0 HE1 TYR A 83 -8.055 6.599 2.667 1.00 1.70 H new ATOM 0 HE2 TYR A 83 -7.892 5.376 -1.463 1.00 2.84 H new ATOM 0 HH TYR A 83 -6.755 4.348 0.285 1.00 2.09 H new ATOM 1351 N ASN A 84 -8.415 11.311 1.378 1.00 1.33 N ATOM 1352 CA ASN A 84 -8.172 12.166 2.544 1.00 1.34 C ATOM 1353 C ASN A 84 -8.356 13.670 2.232 1.00 1.21 C ATOM 1354 O ASN A 84 -7.834 14.529 2.944 1.00 1.59 O ATOM 1355 CB ASN A 84 -6.808 11.835 3.183 1.00 1.61 C ATOM 1356 CG ASN A 84 -6.836 10.561 4.029 1.00 2.95 C ATOM 1357 OD1 ASN A 84 -7.436 9.547 3.703 1.00 4.10 O ATOM 1358 ND2 ASN A 84 -6.186 10.576 5.176 1.00 3.52 N ATOM 0 H ASN A 84 -7.562 10.948 0.953 1.00 1.33 H new ATOM 0 HA ASN A 84 -8.937 11.943 3.287 1.00 1.34 H new ATOM 0 HB2 ASN A 84 -6.062 11.725 2.396 1.00 1.61 H new ATOM 0 HB3 ASN A 84 -6.493 12.672 3.807 1.00 1.61 H new ATOM 0 HD21 ASN A 84 -6.189 9.750 5.775 1.00 3.52 H new ATOM 0 HD22 ASN A 84 -5.680 11.413 5.464 1.00 3.52 H new ATOM 1365 N ASP A 85 -9.134 14.030 1.209 1.00 1.38 N ATOM 1366 CA ASP A 85 -9.555 15.403 0.947 1.00 1.61 C ATOM 1367 C ASP A 85 -10.660 15.894 1.902 1.00 1.76 C ATOM 1368 O ASP A 85 -10.869 17.099 2.030 1.00 1.97 O ATOM 1369 CB ASP A 85 -9.897 15.588 -0.538 1.00 2.65 C ATOM 1370 CG ASP A 85 -11.068 14.749 -1.065 1.00 3.11 C ATOM 1371 OD1 ASP A 85 -11.218 13.589 -0.620 1.00 3.62 O ATOM 1372 OD2 ASP A 85 -11.761 15.270 -1.971 1.00 3.98 O ATOM 0 H ASP A 85 -9.494 13.361 0.528 1.00 1.38 H new ATOM 0 HA ASP A 85 -8.709 16.054 1.165 1.00 1.61 H new ATOM 0 HB2 ASP A 85 -10.123 16.640 -0.711 1.00 2.65 H new ATOM 0 HB3 ASP A 85 -9.011 15.351 -1.127 1.00 2.65 H new ATOM 1377 N PHE A 86 -11.222 14.992 2.712 1.00 2.07 N ATOM 1378 CA PHE A 86 -11.869 15.335 3.984 1.00 2.59 C ATOM 1379 C PHE A 86 -10.949 16.114 4.950 1.00 2.50 C ATOM 1380 O PHE A 86 -11.449 16.759 5.867 1.00 3.09 O ATOM 1381 CB PHE A 86 -12.387 14.046 4.642 1.00 3.07 C ATOM 1382 CG PHE A 86 -13.722 13.572 4.094 1.00 3.81 C ATOM 1383 CD1 PHE A 86 -13.785 12.808 2.915 1.00 4.69 C ATOM 1384 CD2 PHE A 86 -14.910 13.916 4.766 1.00 4.29 C ATOM 1385 CE1 PHE A 86 -15.029 12.386 2.417 1.00 5.66 C ATOM 1386 CE2 PHE A 86 -16.154 13.490 4.270 1.00 5.18 C ATOM 1387 CZ PHE A 86 -16.216 12.724 3.093 1.00 5.74 C ATOM 0 H PHE A 86 -11.241 13.994 2.502 1.00 2.07 H new ATOM 0 HA PHE A 86 -12.698 16.008 3.763 1.00 2.59 H new ATOM 0 HB2 PHE A 86 -11.648 13.257 4.505 1.00 3.07 H new ATOM 0 HB3 PHE A 86 -12.483 14.210 5.715 1.00 3.07 H new ATOM 0 HD1 PHE A 86 -12.877 12.546 2.392 1.00 4.69 H new ATOM 0 HD2 PHE A 86 -14.865 14.510 5.667 1.00 4.29 H new ATOM 0 HE1 PHE A 86 -15.075 11.800 1.511 1.00 5.66 H new ATOM 0 HE2 PHE A 86 -17.062 13.751 4.793 1.00 5.18 H new ATOM 0 HZ PHE A 86 -17.171 12.396 2.709 1.00 5.74 H new ATOM 1397 N PHE A 87 -9.623 16.083 4.748 1.00 2.00 N ATOM 1398 CA PHE A 87 -8.646 16.917 5.459 1.00 2.17 C ATOM 1399 C PHE A 87 -8.159 18.127 4.631 1.00 1.96 C ATOM 1400 O PHE A 87 -7.327 18.880 5.131 1.00 2.28 O ATOM 1401 CB PHE A 87 -7.457 16.046 5.910 1.00 2.32 C ATOM 1402 CG PHE A 87 -7.803 14.915 6.860 1.00 2.90 C ATOM 1403 CD1 PHE A 87 -7.789 15.134 8.252 1.00 4.14 C ATOM 1404 CD2 PHE A 87 -8.113 13.634 6.364 1.00 3.43 C ATOM 1405 CE1 PHE A 87 -8.079 14.082 9.139 1.00 5.02 C ATOM 1406 CE2 PHE A 87 -8.401 12.579 7.251 1.00 4.05 C ATOM 1407 CZ PHE A 87 -8.383 12.803 8.638 1.00 4.60 C ATOM 0 H PHE A 87 -9.190 15.459 4.067 1.00 2.00 H new ATOM 0 HA PHE A 87 -9.150 17.336 6.330 1.00 2.17 H new ATOM 0 HB2 PHE A 87 -6.983 15.622 5.025 1.00 2.32 H new ATOM 0 HB3 PHE A 87 -6.719 16.689 6.390 1.00 2.32 H new ATOM 0 HD1 PHE A 87 -7.554 16.114 8.639 1.00 4.14 H new ATOM 0 HD2 PHE A 87 -8.130 13.460 5.298 1.00 3.43 H new ATOM 0 HE1 PHE A 87 -8.068 14.256 10.205 1.00 5.02 H new ATOM 0 HE2 PHE A 87 -8.636 11.598 6.865 1.00 4.05 H new ATOM 0 HZ PHE A 87 -8.602 11.994 9.319 1.00 4.60 H new ATOM 1417 N LEU A 88 -8.624 18.331 3.386 1.00 1.71 N ATOM 1418 CA LEU A 88 -8.310 19.508 2.563 1.00 1.72 C ATOM 1419 C LEU A 88 -9.136 20.726 2.945 1.00 2.06 C ATOM 1420 O LEU A 88 -8.610 21.665 3.526 1.00 2.89 O ATOM 1421 CB LEU A 88 -8.399 19.165 1.056 1.00 1.59 C ATOM 1422 CG LEU A 88 -7.054 18.887 0.370 1.00 2.23 C ATOM 1423 CD1 LEU A 88 -6.293 20.194 0.104 1.00 2.46 C ATOM 1424 CD2 LEU A 88 -6.140 17.928 1.142 1.00 3.08 C ATOM 0 H LEU A 88 -9.241 17.668 2.916 1.00 1.71 H new ATOM 0 HA LEU A 88 -7.277 19.788 2.769 1.00 1.72 H new ATOM 0 HB2 LEU A 88 -9.038 18.290 0.936 1.00 1.59 H new ATOM 0 HB3 LEU A 88 -8.889 19.991 0.540 1.00 1.59 H new ATOM 0 HG LEU A 88 -7.314 18.396 -0.568 1.00 2.23 H new ATOM 0 HD11 LEU A 88 -5.344 19.970 -0.382 1.00 2.46 H new ATOM 0 HD12 LEU A 88 -6.889 20.837 -0.543 1.00 2.46 H new ATOM 0 HD13 LEU A 88 -6.105 20.704 1.049 1.00 2.46 H new ATOM 0 HD21 LEU A 88 -5.212 17.786 0.589 1.00 3.08 H new ATOM 0 HD22 LEU A 88 -5.917 18.348 2.123 1.00 3.08 H new ATOM 0 HD23 LEU A 88 -6.641 16.967 1.264 1.00 3.08 H new ATOM 1517 N GLU B 2 -9.801 1.303 11.110 1.00 2.41 N ATOM 1518 CA GLU B 2 -9.534 0.322 12.166 1.00 2.40 C ATOM 1519 C GLU B 2 -8.406 -0.624 11.744 1.00 2.27 C ATOM 1520 O GLU B 2 -7.896 -1.384 12.572 1.00 3.03 O ATOM 1521 CB GLU B 2 -10.791 -0.524 12.460 1.00 2.67 C ATOM 1522 CG GLU B 2 -12.098 0.272 12.384 1.00 2.94 C ATOM 1523 CD GLU B 2 -12.607 0.363 10.949 1.00 3.29 C ATOM 1524 OE1 GLU B 2 -13.028 -0.686 10.425 1.00 4.28 O ATOM 1525 OE2 GLU B 2 -12.464 1.450 10.339 1.00 3.81 O ATOM 0 HA GLU B 2 -9.245 0.874 13.061 1.00 2.40 H new ATOM 0 HB2 GLU B 2 -10.837 -1.350 11.750 1.00 2.67 H new ATOM 0 HB3 GLU B 2 -10.700 -0.962 13.454 1.00 2.67 H new ATOM 0 HG2 GLU B 2 -12.853 -0.203 13.011 1.00 2.94 H new ATOM 0 HG3 GLU B 2 -11.939 1.275 12.780 1.00 2.94 H new ATOM 1532 N THR B 3 -8.026 -0.595 10.457 1.00 1.52 N ATOM 1533 CA THR B 3 -7.081 -1.592 9.918 1.00 1.42 C ATOM 1534 C THR B 3 -5.684 -1.288 10.453 1.00 1.38 C ATOM 1535 O THR B 3 -5.394 -0.121 10.710 1.00 1.45 O ATOM 1536 CB THR B 3 -7.132 -1.787 8.384 1.00 1.49 C ATOM 1537 OG1 THR B 3 -5.962 -1.293 7.766 1.00 1.82 O ATOM 1538 CG2 THR B 3 -8.364 -1.206 7.698 1.00 2.16 C ATOM 0 H THR B 3 -8.350 0.094 9.779 1.00 1.52 H new ATOM 0 HA THR B 3 -7.397 -2.571 10.278 1.00 1.42 H new ATOM 0 HB THR B 3 -7.199 -2.867 8.253 1.00 1.49 H new ATOM 0 HG1 THR B 3 -5.426 -2.043 7.433 1.00 1.82 H new ATOM 0 HG21 THR B 3 -8.306 -1.394 6.626 1.00 2.16 H new ATOM 0 HG22 THR B 3 -9.261 -1.677 8.101 1.00 2.16 H new ATOM 0 HG23 THR B 3 -8.407 -0.132 7.876 1.00 2.16 H new ATOM 1546 N PRO B 4 -4.786 -2.276 10.625 1.00 1.37 N ATOM 1547 CA PRO B 4 -3.451 -2.021 11.162 1.00 1.43 C ATOM 1548 C PRO B 4 -2.666 -1.098 10.228 1.00 1.28 C ATOM 1549 O PRO B 4 -2.160 -0.076 10.685 1.00 1.32 O ATOM 1550 CB PRO B 4 -2.811 -3.407 11.332 1.00 1.59 C ATOM 1551 CG PRO B 4 -3.583 -4.306 10.362 1.00 1.51 C ATOM 1552 CD PRO B 4 -4.978 -3.684 10.324 1.00 1.41 C ATOM 0 HA PRO B 4 -3.469 -1.499 12.119 1.00 1.43 H new ATOM 0 HB2 PRO B 4 -1.748 -3.385 11.093 1.00 1.59 H new ATOM 0 HB3 PRO B 4 -2.900 -3.762 12.359 1.00 1.59 H new ATOM 0 HG2 PRO B 4 -3.123 -4.317 9.374 1.00 1.51 H new ATOM 0 HG3 PRO B 4 -3.614 -5.338 10.711 1.00 1.51 H new ATOM 0 HD2 PRO B 4 -5.440 -3.816 9.345 1.00 1.41 H new ATOM 0 HD3 PRO B 4 -5.637 -4.155 11.054 1.00 1.41 H new ATOM 1560 N LEU B 5 -2.625 -1.387 8.922 1.00 1.17 N ATOM 1561 CA LEU B 5 -1.940 -0.522 7.968 1.00 1.04 C ATOM 1562 C LEU B 5 -2.585 0.867 7.879 1.00 0.87 C ATOM 1563 O LEU B 5 -1.870 1.869 7.970 1.00 0.92 O ATOM 1564 CB LEU B 5 -1.857 -1.250 6.617 1.00 1.03 C ATOM 1565 CG LEU B 5 -1.016 -0.509 5.561 1.00 1.10 C ATOM 1566 CD1 LEU B 5 0.387 -0.139 6.067 1.00 1.75 C ATOM 1567 CD2 LEU B 5 -0.886 -1.425 4.344 1.00 1.58 C ATOM 0 H LEU B 5 -3.058 -2.212 8.507 1.00 1.17 H new ATOM 0 HA LEU B 5 -0.924 -0.326 8.312 1.00 1.04 H new ATOM 0 HB2 LEU B 5 -1.433 -2.242 6.775 1.00 1.03 H new ATOM 0 HB3 LEU B 5 -2.866 -1.393 6.229 1.00 1.03 H new ATOM 0 HG LEU B 5 -1.520 0.426 5.317 1.00 1.10 H new ATOM 0 HD11 LEU B 5 0.932 0.381 5.279 1.00 1.75 H new ATOM 0 HD12 LEU B 5 0.300 0.511 6.938 1.00 1.75 H new ATOM 0 HD13 LEU B 5 0.925 -1.046 6.343 1.00 1.75 H new ATOM 0 HD21 LEU B 5 -0.294 -0.928 3.576 1.00 1.58 H new ATOM 0 HD22 LEU B 5 -0.394 -2.352 4.637 1.00 1.58 H new ATOM 0 HD23 LEU B 5 -1.877 -1.649 3.950 1.00 1.58 H new ATOM 1579 N GLU B 6 -3.922 0.952 7.821 1.00 0.79 N ATOM 1580 CA GLU B 6 -4.627 2.237 7.867 1.00 0.75 C ATOM 1581 C GLU B 6 -4.281 3.013 9.144 1.00 0.74 C ATOM 1582 O GLU B 6 -4.064 4.223 9.092 1.00 0.82 O ATOM 1583 CB GLU B 6 -6.152 2.047 7.754 1.00 0.83 C ATOM 1584 CG GLU B 6 -6.822 3.376 7.368 1.00 1.54 C ATOM 1585 CD GLU B 6 -8.337 3.318 7.189 1.00 2.33 C ATOM 1586 OE1 GLU B 6 -8.929 2.260 7.481 1.00 3.65 O ATOM 1587 OE2 GLU B 6 -8.963 4.368 6.941 1.00 3.00 O ATOM 0 H GLU B 6 -4.537 0.142 7.742 1.00 0.79 H new ATOM 0 HA GLU B 6 -4.293 2.819 7.008 1.00 0.75 H new ATOM 0 HB2 GLU B 6 -6.377 1.286 7.006 1.00 0.83 H new ATOM 0 HB3 GLU B 6 -6.553 1.690 8.703 1.00 0.83 H new ATOM 0 HG2 GLU B 6 -6.592 4.116 8.135 1.00 1.54 H new ATOM 0 HG3 GLU B 6 -6.377 3.731 6.439 1.00 1.54 H new ATOM 1594 N LYS B 7 -4.127 2.340 10.287 1.00 0.74 N ATOM 1595 CA LYS B 7 -3.736 2.970 11.545 1.00 0.81 C ATOM 1596 C LYS B 7 -2.297 3.510 11.483 1.00 0.83 C ATOM 1597 O LYS B 7 -1.995 4.525 12.114 1.00 0.99 O ATOM 1598 CB LYS B 7 -4.054 1.978 12.680 1.00 0.93 C ATOM 1599 CG LYS B 7 -3.456 2.293 14.062 1.00 2.24 C ATOM 1600 CD LYS B 7 -1.989 1.858 14.214 1.00 4.34 C ATOM 1601 CE LYS B 7 -1.740 0.375 13.929 1.00 5.55 C ATOM 1602 NZ LYS B 7 -2.411 -0.516 14.904 1.00 6.69 N ATOM 0 H LYS B 7 -4.272 1.333 10.363 1.00 0.74 H new ATOM 0 HA LYS B 7 -4.311 3.873 11.751 1.00 0.81 H new ATOM 0 HB2 LYS B 7 -5.137 1.916 12.784 1.00 0.93 H new ATOM 0 HB3 LYS B 7 -3.706 0.991 12.376 1.00 0.93 H new ATOM 0 HG2 LYS B 7 -3.529 3.365 14.244 1.00 2.24 H new ATOM 0 HG3 LYS B 7 -4.054 1.799 14.828 1.00 2.24 H new ATOM 0 HD2 LYS B 7 -1.374 2.454 13.540 1.00 4.34 H new ATOM 0 HD3 LYS B 7 -1.659 2.082 15.228 1.00 4.34 H new ATOM 0 HE2 LYS B 7 -2.092 0.138 12.925 1.00 5.55 H new ATOM 0 HE3 LYS B 7 -0.667 0.181 13.945 1.00 5.55 H new ATOM 0 HZ1 LYS B 7 -2.209 -1.508 14.664 1.00 6.69 H new ATOM 0 HZ2 LYS B 7 -2.058 -0.312 15.861 1.00 6.69 H new ATOM 0 HZ3 LYS B 7 -3.438 -0.354 14.873 1.00 6.69 H new ATOM 1616 N ALA B 8 -1.403 2.887 10.711 1.00 0.79 N ATOM 1617 CA ALA B 8 -0.047 3.399 10.483 1.00 0.86 C ATOM 1618 C ALA B 8 -0.077 4.723 9.702 1.00 0.79 C ATOM 1619 O ALA B 8 0.462 5.722 10.186 1.00 0.81 O ATOM 1620 CB ALA B 8 0.799 2.340 9.777 1.00 1.02 C ATOM 0 H ALA B 8 -1.598 2.012 10.225 1.00 0.79 H new ATOM 0 HA ALA B 8 0.415 3.613 11.447 1.00 0.86 H new ATOM 0 HB1 ALA B 8 1.804 2.728 9.612 1.00 1.02 H new ATOM 0 HB2 ALA B 8 0.853 1.445 10.397 1.00 1.02 H new ATOM 0 HB3 ALA B 8 0.344 2.091 8.818 1.00 1.02 H new ATOM 1626 N LEU B 9 -0.794 4.760 8.569 1.00 0.77 N ATOM 1627 CA LEU B 9 -1.056 5.994 7.810 1.00 0.78 C ATOM 1628 C LEU B 9 -1.799 7.038 8.661 1.00 0.68 C ATOM 1629 O LEU B 9 -1.488 8.226 8.561 1.00 0.59 O ATOM 1630 CB LEU B 9 -1.860 5.704 6.520 1.00 0.83 C ATOM 1631 CG LEU B 9 -1.130 5.063 5.317 1.00 0.84 C ATOM 1632 CD1 LEU B 9 0.200 5.762 4.990 1.00 1.21 C ATOM 1633 CD2 LEU B 9 -0.896 3.558 5.485 1.00 0.62 C ATOM 0 H LEU B 9 -1.212 3.929 8.150 1.00 0.77 H new ATOM 0 HA LEU B 9 -0.084 6.403 7.533 1.00 0.78 H new ATOM 0 HB2 LEU B 9 -2.691 5.051 6.788 1.00 0.83 H new ATOM 0 HB3 LEU B 9 -2.291 6.646 6.181 1.00 0.83 H new ATOM 0 HG LEU B 9 -1.809 5.204 4.476 1.00 0.84 H new ATOM 0 HD11 LEU B 9 0.669 5.271 4.138 1.00 1.21 H new ATOM 0 HD12 LEU B 9 0.011 6.808 4.747 1.00 1.21 H new ATOM 0 HD13 LEU B 9 0.863 5.704 5.853 1.00 1.21 H new ATOM 0 HD21 LEU B 9 -0.380 3.170 4.607 1.00 0.62 H new ATOM 0 HD22 LEU B 9 -0.287 3.381 6.372 1.00 0.62 H new ATOM 0 HD23 LEU B 9 -1.854 3.051 5.596 1.00 0.62 H new ATOM 1645 N THR B 10 -2.719 6.596 9.535 1.00 0.73 N ATOM 1646 CA THR B 10 -3.471 7.463 10.460 1.00 0.63 C ATOM 1647 C THR B 10 -2.501 8.156 11.405 1.00 0.62 C ATOM 1648 O THR B 10 -2.577 9.376 11.547 1.00 0.60 O ATOM 1649 CB THR B 10 -4.535 6.698 11.254 1.00 0.73 C ATOM 1650 OG1 THR B 10 -5.445 6.082 10.375 1.00 0.99 O ATOM 1651 CG2 THR B 10 -5.349 7.637 12.147 1.00 1.11 C ATOM 0 H THR B 10 -2.966 5.610 9.621 1.00 0.73 H new ATOM 0 HA THR B 10 -4.002 8.203 9.861 1.00 0.63 H new ATOM 0 HB THR B 10 -4.008 5.963 11.863 1.00 0.73 H new ATOM 0 HG1 THR B 10 -5.058 5.248 10.035 1.00 0.99 H new ATOM 0 HG21 THR B 10 -6.095 7.062 12.696 1.00 1.11 H new ATOM 0 HG22 THR B 10 -4.684 8.136 12.852 1.00 1.11 H new ATOM 0 HG23 THR B 10 -5.849 8.383 11.530 1.00 1.11 H new ATOM 1659 N THR B 11 -1.561 7.404 11.997 1.00 0.66 N ATOM 1660 CA THR B 11 -0.508 7.934 12.883 1.00 0.69 C ATOM 1661 C THR B 11 0.330 8.963 12.125 1.00 0.70 C ATOM 1662 O THR B 11 0.529 10.064 12.635 1.00 0.72 O ATOM 1663 CB THR B 11 0.400 6.827 13.446 1.00 0.76 C ATOM 1664 OG1 THR B 11 -0.332 5.713 13.910 1.00 0.78 O ATOM 1665 CG2 THR B 11 1.211 7.300 14.656 1.00 0.96 C ATOM 0 H THR B 11 -1.508 6.393 11.873 1.00 0.66 H new ATOM 0 HA THR B 11 -1.002 8.406 13.733 1.00 0.69 H new ATOM 0 HB THR B 11 1.045 6.561 12.608 1.00 0.76 H new ATOM 0 HG1 THR B 11 -0.771 5.271 13.153 1.00 0.78 H new ATOM 0 HG21 THR B 11 1.836 6.483 15.017 1.00 0.96 H new ATOM 0 HG22 THR B 11 1.843 8.139 14.365 1.00 0.96 H new ATOM 0 HG23 THR B 11 0.532 7.615 15.448 1.00 0.96 H new ATOM 1673 N MET B 12 0.751 8.630 10.892 1.00 0.72 N ATOM 1674 CA MET B 12 1.478 9.541 9.990 1.00 0.71 C ATOM 1675 C MET B 12 0.695 10.829 9.719 1.00 0.73 C ATOM 1676 O MET B 12 1.177 11.891 10.087 1.00 0.96 O ATOM 1677 CB MET B 12 1.841 8.866 8.655 1.00 0.73 C ATOM 1678 CG MET B 12 2.908 7.780 8.774 1.00 0.80 C ATOM 1679 SD MET B 12 3.145 6.877 7.220 1.00 0.89 S ATOM 1680 CE MET B 12 4.942 6.665 7.247 1.00 0.77 C ATOM 0 H MET B 12 0.593 7.707 10.488 1.00 0.72 H new ATOM 0 HA MET B 12 2.401 9.800 10.509 1.00 0.71 H new ATOM 0 HB2 MET B 12 0.940 8.429 8.225 1.00 0.73 H new ATOM 0 HB3 MET B 12 2.190 9.628 7.958 1.00 0.73 H new ATOM 0 HG2 MET B 12 3.852 8.233 9.076 1.00 0.80 H new ATOM 0 HG3 MET B 12 2.624 7.079 9.559 1.00 0.80 H new ATOM 0 HE1 MET B 12 5.208 5.746 6.725 1.00 0.77 H new ATOM 0 HE2 MET B 12 5.416 7.513 6.752 1.00 0.77 H new ATOM 0 HE3 MET B 12 5.286 6.609 8.280 1.00 0.77 H new ATOM 1690 N VAL B 13 -0.515 10.770 9.138 1.00 0.60 N ATOM 1691 CA VAL B 13 -1.291 11.986 8.797 1.00 0.61 C ATOM 1692 C VAL B 13 -1.587 12.850 10.034 1.00 0.60 C ATOM 1693 O VAL B 13 -1.499 14.073 9.947 1.00 0.66 O ATOM 1694 CB VAL B 13 -2.603 11.725 8.009 1.00 0.64 C ATOM 1695 CG1 VAL B 13 -2.336 11.091 6.634 1.00 0.68 C ATOM 1696 CG2 VAL B 13 -3.653 10.904 8.761 1.00 0.63 C ATOM 0 H VAL B 13 -0.981 9.897 8.893 1.00 0.60 H new ATOM 0 HA VAL B 13 -0.632 12.532 8.122 1.00 0.61 H new ATOM 0 HB VAL B 13 -3.027 12.720 7.876 1.00 0.64 H new ATOM 0 HG11 VAL B 13 -3.283 10.927 6.119 1.00 0.68 H new ATOM 0 HG12 VAL B 13 -1.711 11.759 6.041 1.00 0.68 H new ATOM 0 HG13 VAL B 13 -1.825 10.138 6.766 1.00 0.68 H new ATOM 0 HG21 VAL B 13 -4.533 10.774 8.131 1.00 0.63 H new ATOM 0 HG22 VAL B 13 -3.239 9.927 9.013 1.00 0.63 H new ATOM 0 HG23 VAL B 13 -3.936 11.425 9.676 1.00 0.63 H new ATOM 1706 N THR B 14 -1.865 12.227 11.188 1.00 0.59 N ATOM 1707 CA THR B 14 -2.163 12.916 12.453 1.00 0.65 C ATOM 1708 C THR B 14 -0.948 13.707 12.945 1.00 0.71 C ATOM 1709 O THR B 14 -1.082 14.887 13.264 1.00 0.85 O ATOM 1710 CB THR B 14 -2.636 11.912 13.514 1.00 0.67 C ATOM 1711 OG1 THR B 14 -3.763 11.221 13.028 1.00 0.91 O ATOM 1712 CG2 THR B 14 -3.056 12.594 14.816 1.00 0.96 C ATOM 0 H THR B 14 -1.890 11.211 11.270 1.00 0.59 H new ATOM 0 HA THR B 14 -2.970 13.626 12.274 1.00 0.65 H new ATOM 0 HB THR B 14 -1.797 11.246 13.716 1.00 0.67 H new ATOM 0 HG1 THR B 14 -3.494 10.329 12.723 1.00 0.91 H new ATOM 0 HG21 THR B 14 -3.382 11.840 15.533 1.00 0.96 H new ATOM 0 HG22 THR B 14 -2.210 13.145 15.228 1.00 0.96 H new ATOM 0 HG23 THR B 14 -3.876 13.284 14.617 1.00 0.96 H new ATOM 1720 N THR B 15 0.232 13.078 12.953 1.00 0.73 N ATOM 1721 CA THR B 15 1.501 13.655 13.431 1.00 0.86 C ATOM 1722 C THR B 15 2.040 14.665 12.428 1.00 0.82 C ATOM 1723 O THR B 15 2.314 15.784 12.834 1.00 0.93 O ATOM 1724 CB THR B 15 2.524 12.538 13.704 1.00 0.99 C ATOM 1725 OG1 THR B 15 1.923 11.508 14.458 1.00 2.36 O ATOM 1726 CG2 THR B 15 3.710 13.050 14.517 1.00 1.48 C ATOM 0 H THR B 15 0.338 12.121 12.616 1.00 0.73 H new ATOM 0 HA THR B 15 1.318 14.182 14.367 1.00 0.86 H new ATOM 0 HB THR B 15 2.866 12.177 12.734 1.00 0.99 H new ATOM 0 HG1 THR B 15 1.330 10.983 13.881 1.00 2.36 H new ATOM 0 HG21 THR B 15 4.412 12.234 14.691 1.00 1.48 H new ATOM 0 HG22 THR B 15 4.210 13.848 13.968 1.00 1.48 H new ATOM 0 HG23 THR B 15 3.356 13.434 15.474 1.00 1.48 H new ATOM 1734 N PHE B 16 2.084 14.330 11.134 1.00 0.76 N ATOM 1735 CA PHE B 16 2.450 15.222 10.027 1.00 0.73 C ATOM 1736 C PHE B 16 1.648 16.531 10.049 1.00 0.68 C ATOM 1737 O PHE B 16 2.213 17.605 9.844 1.00 0.70 O ATOM 1738 CB PHE B 16 2.258 14.453 8.707 1.00 0.77 C ATOM 1739 CG PHE B 16 2.637 15.193 7.434 1.00 0.78 C ATOM 1740 CD1 PHE B 16 1.753 16.131 6.874 1.00 1.90 C ATOM 1741 CD2 PHE B 16 3.859 14.929 6.783 1.00 2.27 C ATOM 1742 CE1 PHE B 16 2.102 16.807 5.692 1.00 1.87 C ATOM 1743 CE2 PHE B 16 4.190 15.586 5.584 1.00 2.33 C ATOM 1744 CZ PHE B 16 3.303 16.526 5.029 1.00 0.88 C ATOM 0 H PHE B 16 1.856 13.388 10.815 1.00 0.76 H new ATOM 0 HA PHE B 16 3.494 15.518 10.131 1.00 0.73 H new ATOM 0 HB2 PHE B 16 2.845 13.536 8.757 1.00 0.77 H new ATOM 0 HB3 PHE B 16 1.211 14.158 8.632 1.00 0.77 H new ATOM 0 HD1 PHE B 16 0.806 16.332 7.352 1.00 1.90 H new ATOM 0 HD2 PHE B 16 4.548 14.215 7.209 1.00 2.27 H new ATOM 0 HE1 PHE B 16 1.434 17.554 5.289 1.00 1.87 H new ATOM 0 HE2 PHE B 16 5.125 15.369 5.090 1.00 2.33 H new ATOM 0 HZ PHE B 16 3.545 17.025 4.102 1.00 0.88 H new ATOM 1754 N HIS B 17 0.343 16.481 10.344 1.00 0.67 N ATOM 1755 CA HIS B 17 -0.522 17.665 10.382 1.00 0.63 C ATOM 1756 C HIS B 17 -0.019 18.759 11.350 1.00 0.70 C ATOM 1757 O HIS B 17 -0.076 19.940 11.014 1.00 0.98 O ATOM 1758 CB HIS B 17 -1.954 17.242 10.728 1.00 0.80 C ATOM 1759 CG HIS B 17 -2.969 18.339 10.543 1.00 1.14 C ATOM 1760 ND1 HIS B 17 -3.265 19.356 11.422 1.00 2.17 N ATOM 1761 CD2 HIS B 17 -3.784 18.503 9.454 1.00 1.16 C ATOM 1762 CE1 HIS B 17 -4.239 20.105 10.881 1.00 2.40 C ATOM 1763 NE2 HIS B 17 -4.586 19.625 9.678 1.00 1.75 N ATOM 0 H HIS B 17 -0.144 15.613 10.564 1.00 0.67 H new ATOM 0 HA HIS B 17 -0.499 18.115 9.390 1.00 0.63 H new ATOM 0 HB2 HIS B 17 -2.233 16.392 10.106 1.00 0.80 H new ATOM 0 HB3 HIS B 17 -1.983 16.902 11.763 1.00 0.80 H new ATOM 0 HD2 HIS B 17 -3.803 17.875 8.576 1.00 1.16 H new ATOM 0 HE1 HIS B 17 -4.681 20.972 11.349 1.00 2.40 H new ATOM 0 HE2 HIS B 17 -5.295 20.004 9.050 1.00 1.75 H new ATOM 1772 N LYS B 18 0.548 18.403 12.509 1.00 0.74 N ATOM 1773 CA LYS B 18 1.121 19.359 13.476 1.00 0.86 C ATOM 1774 C LYS B 18 2.158 20.308 12.848 1.00 0.82 C ATOM 1775 O LYS B 18 2.347 21.422 13.328 1.00 1.10 O ATOM 1776 CB LYS B 18 1.727 18.525 14.623 1.00 1.01 C ATOM 1777 CG LYS B 18 2.426 19.249 15.792 1.00 2.12 C ATOM 1778 CD LYS B 18 3.850 19.790 15.490 1.00 3.37 C ATOM 1779 CE LYS B 18 4.103 21.303 15.674 1.00 5.20 C ATOM 1780 NZ LYS B 18 5.279 21.804 14.889 1.00 6.73 N ATOM 0 H LYS B 18 0.625 17.431 12.809 1.00 0.74 H new ATOM 0 HA LYS B 18 0.337 20.020 13.845 1.00 0.86 H new ATOM 0 HB2 LYS B 18 0.927 17.917 15.045 1.00 1.01 H new ATOM 0 HB3 LYS B 18 2.450 17.838 14.183 1.00 1.01 H new ATOM 0 HG2 LYS B 18 1.799 20.083 16.106 1.00 2.12 H new ATOM 0 HG3 LYS B 18 2.489 18.562 16.636 1.00 2.12 H new ATOM 0 HD2 LYS B 18 4.553 19.254 16.127 1.00 3.37 H new ATOM 0 HD3 LYS B 18 4.094 19.533 14.459 1.00 3.37 H new ATOM 0 HE2 LYS B 18 3.212 21.853 15.373 1.00 5.20 H new ATOM 0 HE3 LYS B 18 4.264 21.512 16.732 1.00 5.20 H new ATOM 0 HZ1 LYS B 18 5.123 22.798 14.627 1.00 6.73 H new ATOM 0 HZ2 LYS B 18 6.140 21.729 15.468 1.00 6.73 H new ATOM 0 HZ3 LYS B 18 5.390 21.232 14.027 1.00 6.73 H new ATOM 1794 N TYR B 19 2.847 19.853 11.805 1.00 0.66 N ATOM 1795 CA TYR B 19 3.980 20.511 11.146 1.00 0.75 C ATOM 1796 C TYR B 19 3.601 21.125 9.784 1.00 0.92 C ATOM 1797 O TYR B 19 4.453 21.600 9.048 1.00 1.87 O ATOM 1798 CB TYR B 19 5.072 19.444 10.991 1.00 0.73 C ATOM 1799 CG TYR B 19 5.454 18.776 12.291 1.00 0.71 C ATOM 1800 CD1 TYR B 19 6.403 19.338 13.165 1.00 1.63 C ATOM 1801 CD2 TYR B 19 4.785 17.604 12.658 1.00 2.16 C ATOM 1802 CE1 TYR B 19 6.692 18.682 14.381 1.00 1.55 C ATOM 1803 CE2 TYR B 19 5.099 16.923 13.842 1.00 2.35 C ATOM 1804 CZ TYR B 19 6.042 17.476 14.726 1.00 0.99 C ATOM 1805 OH TYR B 19 6.254 16.893 15.932 1.00 1.23 O ATOM 0 H TYR B 19 2.618 18.960 11.368 1.00 0.66 H new ATOM 0 HA TYR B 19 4.326 21.351 11.749 1.00 0.75 H new ATOM 0 HB2 TYR B 19 4.729 18.684 10.289 1.00 0.73 H new ATOM 0 HB3 TYR B 19 5.958 19.904 10.554 1.00 0.73 H new ATOM 0 HD1 TYR B 19 6.904 20.260 12.909 1.00 1.63 H new ATOM 0 HD2 TYR B 19 4.009 17.215 12.015 1.00 2.16 H new ATOM 0 HE1 TYR B 19 7.419 19.108 15.056 1.00 1.55 H new ATOM 0 HE2 TYR B 19 4.621 15.982 14.073 1.00 2.35 H new ATOM 0 HH TYR B 19 5.723 16.072 15.996 1.00 1.23 H new ATOM 1815 N SER B 20 2.316 21.055 9.435 1.00 0.73 N ATOM 1816 CA SER B 20 1.819 21.184 8.058 1.00 0.69 C ATOM 1817 C SER B 20 0.514 21.988 8.065 1.00 0.94 C ATOM 1818 O SER B 20 0.492 23.155 7.690 1.00 1.37 O ATOM 1819 CB SER B 20 1.593 19.772 7.495 1.00 1.03 C ATOM 1820 OG SER B 20 2.764 18.993 7.634 1.00 2.42 O ATOM 0 H SER B 20 1.571 20.904 10.115 1.00 0.73 H new ATOM 0 HA SER B 20 2.539 21.710 7.431 1.00 0.69 H new ATOM 0 HB2 SER B 20 0.766 19.293 8.019 1.00 1.03 H new ATOM 0 HB3 SER B 20 1.312 19.833 6.444 1.00 1.03 H new ATOM 0 HG SER B 20 2.597 18.088 7.297 1.00 2.42 H new ATOM 1826 N GLY B 21 -0.546 21.432 8.667 1.00 1.25 N ATOM 1827 CA GLY B 21 -1.798 22.128 8.998 1.00 1.55 C ATOM 1828 C GLY B 21 -1.669 23.131 10.144 1.00 1.68 C ATOM 1829 O GLY B 21 -2.658 23.637 10.660 1.00 2.09 O ATOM 0 H GLY B 21 -0.556 20.451 8.947 1.00 1.25 H new ATOM 0 HA2 GLY B 21 -2.157 22.650 8.111 1.00 1.55 H new ATOM 0 HA3 GLY B 21 -2.554 21.388 9.260 1.00 1.55 H new ATOM 1832 N ARG B 22 -0.421 23.405 10.534 1.00 1.71 N ATOM 1833 CA ARG B 22 0.024 24.616 11.211 1.00 1.95 C ATOM 1834 C ARG B 22 -0.145 25.865 10.318 1.00 2.10 C ATOM 1835 O ARG B 22 -0.353 26.956 10.838 1.00 2.52 O ATOM 1836 CB ARG B 22 1.490 24.394 11.565 1.00 2.07 C ATOM 1837 CG ARG B 22 1.904 25.288 12.740 1.00 2.06 C ATOM 1838 CD ARG B 22 3.421 25.277 12.898 1.00 1.93 C ATOM 1839 NE ARG B 22 4.115 25.685 11.678 1.00 2.27 N ATOM 1840 CZ ARG B 22 3.995 26.765 10.917 1.00 3.57 C ATOM 1841 NH1 ARG B 22 3.203 27.777 11.180 1.00 4.63 N ATOM 1842 NH2 ARG B 22 4.675 26.822 9.803 1.00 4.61 N ATOM 0 H ARG B 22 0.344 22.749 10.375 1.00 1.71 H new ATOM 0 HA ARG B 22 -0.577 24.801 12.101 1.00 1.95 H new ATOM 0 HB2 ARG B 22 1.653 23.347 11.823 1.00 2.07 H new ATOM 0 HB3 ARG B 22 2.115 24.610 10.699 1.00 2.07 H new ATOM 0 HG2 ARG B 22 1.555 26.307 12.572 1.00 2.06 H new ATOM 0 HG3 ARG B 22 1.432 24.937 13.658 1.00 2.06 H new ATOM 0 HD2 ARG B 22 3.703 25.944 13.713 1.00 1.93 H new ATOM 0 HD3 ARG B 22 3.746 24.275 13.179 1.00 1.93 H new ATOM 0 HE ARG B 22 4.817 25.020 11.354 1.00 2.27 H new ATOM 0 HH11 ARG B 22 2.624 27.767 12.020 1.00 4.63 H new ATOM 0 HH12 ARG B 22 3.166 28.574 10.545 1.00 4.63 H new ATOM 0 HH21 ARG B 22 5.281 26.047 9.535 1.00 4.61 H new ATOM 0 HH22 ARG B 22 4.600 27.642 9.201 1.00 4.61 H new ATOM 1856 N GLU B 23 -0.048 25.669 8.998 1.00 2.01 N ATOM 1857 CA GLU B 23 -0.443 26.586 7.922 1.00 2.47 C ATOM 1858 C GLU B 23 -1.732 26.080 7.220 1.00 2.91 C ATOM 1859 O GLU B 23 -2.327 25.076 7.612 1.00 3.80 O ATOM 1860 CB GLU B 23 0.702 26.695 6.888 1.00 2.96 C ATOM 1861 CG GLU B 23 2.062 27.155 7.439 1.00 3.48 C ATOM 1862 CD GLU B 23 2.092 28.581 7.997 1.00 4.02 C ATOM 1863 OE1 GLU B 23 1.129 29.344 7.773 1.00 5.14 O ATOM 1864 OE2 GLU B 23 3.107 28.889 8.677 1.00 4.30 O ATOM 0 H GLU B 23 0.337 24.801 8.626 1.00 2.01 H new ATOM 0 HA GLU B 23 -0.643 27.567 8.354 1.00 2.47 H new ATOM 0 HB2 GLU B 23 0.833 25.721 6.416 1.00 2.96 H new ATOM 0 HB3 GLU B 23 0.395 27.389 6.106 1.00 2.96 H new ATOM 0 HG2 GLU B 23 2.368 26.467 8.227 1.00 3.48 H new ATOM 0 HG3 GLU B 23 2.803 27.078 6.643 1.00 3.48 H new ATOM 1871 N GLY B 24 -2.161 26.744 6.138 1.00 3.01 N ATOM 1872 CA GLY B 24 -3.370 26.377 5.375 1.00 3.60 C ATOM 1873 C GLY B 24 -3.182 25.218 4.386 1.00 2.79 C ATOM 1874 O GLY B 24 -4.162 24.573 4.006 1.00 3.53 O ATOM 0 H GLY B 24 -1.677 27.559 5.761 1.00 3.01 H new ATOM 0 HA2 GLY B 24 -4.159 26.111 6.078 1.00 3.60 H new ATOM 0 HA3 GLY B 24 -3.715 27.253 4.825 1.00 3.60 H new ATOM 1877 N SER B 25 -1.949 24.921 3.980 1.00 1.84 N ATOM 1878 CA SER B 25 -1.556 23.858 3.040 1.00 1.43 C ATOM 1879 C SER B 25 -1.366 22.493 3.732 1.00 1.41 C ATOM 1880 O SER B 25 -0.375 21.799 3.560 1.00 2.05 O ATOM 1881 CB SER B 25 -0.299 24.303 2.272 1.00 1.83 C ATOM 1882 OG SER B 25 0.693 24.853 3.127 1.00 3.25 O ATOM 0 H SER B 25 -1.142 25.446 4.317 1.00 1.84 H new ATOM 0 HA SER B 25 -2.369 23.706 2.330 1.00 1.43 H new ATOM 0 HB2 SER B 25 0.118 23.449 1.738 1.00 1.83 H new ATOM 0 HB3 SER B 25 -0.578 25.043 1.521 1.00 1.83 H new ATOM 0 HG SER B 25 1.579 24.717 2.730 1.00 3.25 H new ATOM 1888 N LYS B 26 -2.342 22.073 4.538 1.00 1.10 N ATOM 1889 CA LYS B 26 -2.174 21.098 5.628 1.00 1.09 C ATOM 1890 C LYS B 26 -1.585 19.688 5.330 1.00 1.16 C ATOM 1891 O LYS B 26 -1.312 18.943 6.274 1.00 1.52 O ATOM 1892 CB LYS B 26 -3.505 21.015 6.406 1.00 1.24 C ATOM 1893 CG LYS B 26 -4.722 20.476 5.636 1.00 2.20 C ATOM 1894 CD LYS B 26 -5.474 21.505 4.775 1.00 2.53 C ATOM 1895 CE LYS B 26 -6.197 22.576 5.601 1.00 1.58 C ATOM 1896 NZ LYS B 26 -6.844 23.577 4.726 1.00 2.39 N ATOM 0 H LYS B 26 -3.301 22.409 4.452 1.00 1.10 H new ATOM 0 HA LYS B 26 -1.352 21.506 6.216 1.00 1.09 H new ATOM 0 HB2 LYS B 26 -3.349 20.384 7.281 1.00 1.24 H new ATOM 0 HB3 LYS B 26 -3.748 22.013 6.772 1.00 1.24 H new ATOM 0 HG2 LYS B 26 -4.390 19.663 4.991 1.00 2.20 H new ATOM 0 HG3 LYS B 26 -5.422 20.048 6.353 1.00 2.20 H new ATOM 0 HD2 LYS B 26 -4.767 21.991 4.102 1.00 2.53 H new ATOM 0 HD3 LYS B 26 -6.201 20.985 4.152 1.00 2.53 H new ATOM 0 HE2 LYS B 26 -6.947 22.105 6.236 1.00 1.58 H new ATOM 0 HE3 LYS B 26 -5.486 23.072 6.262 1.00 1.58 H new ATOM 0 HZ1 LYS B 26 -7.368 24.261 5.309 1.00 2.39 H new ATOM 0 HZ2 LYS B 26 -6.118 24.077 4.175 1.00 2.39 H new ATOM 0 HZ3 LYS B 26 -7.502 23.098 4.078 1.00 2.39 H new ATOM 1910 N LEU B 27 -1.392 19.312 4.060 1.00 1.12 N ATOM 1911 CA LEU B 27 -0.741 18.060 3.624 1.00 1.35 C ATOM 1912 C LEU B 27 0.653 18.252 2.988 1.00 1.10 C ATOM 1913 O LEU B 27 1.298 17.246 2.691 1.00 1.22 O ATOM 1914 CB LEU B 27 -1.648 17.301 2.646 1.00 1.90 C ATOM 1915 CG LEU B 27 -3.020 16.856 3.183 1.00 2.62 C ATOM 1916 CD1 LEU B 27 -3.612 15.906 2.138 1.00 3.16 C ATOM 1917 CD2 LEU B 27 -2.971 16.134 4.541 1.00 3.54 C ATOM 0 H LEU B 27 -1.694 19.889 3.275 1.00 1.12 H new ATOM 0 HA LEU B 27 -0.585 17.483 4.535 1.00 1.35 H new ATOM 0 HB2 LEU B 27 -1.812 17.933 1.773 1.00 1.90 H new ATOM 0 HB3 LEU B 27 -1.113 16.416 2.302 1.00 1.90 H new ATOM 0 HG LEU B 27 -3.620 17.751 3.349 1.00 2.62 H new ATOM 0 HD11 LEU B 27 -4.590 15.560 2.473 1.00 3.16 H new ATOM 0 HD12 LEU B 27 -3.718 16.430 1.188 1.00 3.16 H new ATOM 0 HD13 LEU B 27 -2.950 15.050 2.008 1.00 3.16 H new ATOM 0 HD21 LEU B 27 -3.981 15.857 4.842 1.00 3.54 H new ATOM 0 HD22 LEU B 27 -2.359 15.236 4.454 1.00 3.54 H new ATOM 0 HD23 LEU B 27 -2.538 16.797 5.290 1.00 3.54 H new ATOM 1929 N THR B 28 1.128 19.491 2.829 1.00 0.92 N ATOM 1930 CA THR B 28 2.538 19.843 2.592 1.00 0.83 C ATOM 1931 C THR B 28 3.140 20.599 3.781 1.00 0.79 C ATOM 1932 O THR B 28 2.419 20.977 4.702 1.00 0.95 O ATOM 1933 CB THR B 28 2.685 20.661 1.303 1.00 0.83 C ATOM 1934 OG1 THR B 28 1.812 21.766 1.302 1.00 0.94 O ATOM 1935 CG2 THR B 28 2.318 19.859 0.054 1.00 0.94 C ATOM 0 H THR B 28 0.521 20.310 2.862 1.00 0.92 H new ATOM 0 HA THR B 28 3.092 18.911 2.478 1.00 0.83 H new ATOM 0 HB THR B 28 3.733 20.960 1.278 1.00 0.83 H new ATOM 0 HG1 THR B 28 2.231 22.515 1.775 1.00 0.94 H new ATOM 0 HG21 THR B 28 2.440 20.486 -0.830 1.00 0.94 H new ATOM 0 HG22 THR B 28 2.971 18.990 -0.025 1.00 0.94 H new ATOM 0 HG23 THR B 28 1.281 19.529 0.125 1.00 0.94 H new ATOM 1943 N LEU B 29 4.460 20.829 3.770 1.00 0.65 N ATOM 1944 CA LEU B 29 5.188 21.595 4.798 1.00 0.64 C ATOM 1945 C LEU B 29 6.549 22.093 4.322 1.00 0.62 C ATOM 1946 O LEU B 29 7.132 21.494 3.425 1.00 0.69 O ATOM 1947 CB LEU B 29 5.366 20.785 6.094 1.00 0.66 C ATOM 1948 CG LEU B 29 6.459 19.691 6.125 1.00 0.64 C ATOM 1949 CD1 LEU B 29 6.437 19.036 7.511 1.00 0.83 C ATOM 1950 CD2 LEU B 29 6.298 18.614 5.046 1.00 0.68 C ATOM 0 H LEU B 29 5.068 20.480 3.029 1.00 0.65 H new ATOM 0 HA LEU B 29 4.565 22.466 5.000 1.00 0.64 H new ATOM 0 HB2 LEU B 29 5.575 21.488 6.900 1.00 0.66 H new ATOM 0 HB3 LEU B 29 4.412 20.310 6.324 1.00 0.66 H new ATOM 0 HG LEU B 29 7.412 20.178 5.917 1.00 0.64 H new ATOM 0 HD11 LEU B 29 7.200 18.259 7.559 1.00 0.83 H new ATOM 0 HD12 LEU B 29 6.638 19.789 8.273 1.00 0.83 H new ATOM 0 HD13 LEU B 29 5.457 18.593 7.689 1.00 0.83 H new ATOM 0 HD21 LEU B 29 7.104 17.885 5.136 1.00 0.68 H new ATOM 0 HD22 LEU B 29 5.339 18.112 5.173 1.00 0.68 H new ATOM 0 HD23 LEU B 29 6.337 19.078 4.060 1.00 0.68 H new ATOM 1962 N SER B 30 7.110 23.132 4.946 1.00 0.71 N ATOM 1963 CA SER B 30 8.431 23.657 4.568 1.00 0.83 C ATOM 1964 C SER B 30 9.590 22.726 4.963 1.00 0.93 C ATOM 1965 O SER B 30 9.577 22.084 6.014 1.00 1.04 O ATOM 1966 CB SER B 30 8.664 25.047 5.175 1.00 1.05 C ATOM 1967 OG SER B 30 8.591 25.008 6.595 1.00 1.73 O ATOM 0 H SER B 30 6.670 23.631 5.719 1.00 0.71 H new ATOM 0 HA SER B 30 8.422 23.724 3.480 1.00 0.83 H new ATOM 0 HB2 SER B 30 9.641 25.421 4.869 1.00 1.05 H new ATOM 0 HB3 SER B 30 7.920 25.744 4.789 1.00 1.05 H new ATOM 0 HG SER B 30 8.745 25.906 6.955 1.00 1.73 H new ATOM 1973 N ARG B 31 10.670 22.710 4.177 1.00 1.00 N ATOM 1974 CA ARG B 31 11.906 21.986 4.449 1.00 1.20 C ATOM 1975 C ARG B 31 12.453 22.191 5.866 1.00 1.28 C ATOM 1976 O ARG B 31 12.763 21.215 6.544 1.00 1.44 O ATOM 1977 CB ARG B 31 12.907 22.471 3.406 1.00 1.62 C ATOM 1978 CG ARG B 31 14.227 21.700 3.391 1.00 2.33 C ATOM 1979 CD ARG B 31 13.971 20.260 2.973 1.00 2.70 C ATOM 1980 NE ARG B 31 13.766 19.326 4.092 1.00 4.09 N ATOM 1981 CZ ARG B 31 14.698 18.622 4.721 1.00 5.60 C ATOM 1982 NH1 ARG B 31 15.978 18.927 4.686 1.00 6.75 N ATOM 1983 NH2 ARG B 31 14.358 17.554 5.409 1.00 6.53 N ATOM 0 H ARG B 31 10.704 23.225 3.297 1.00 1.00 H new ATOM 0 HA ARG B 31 11.719 20.914 4.388 1.00 1.20 H new ATOM 0 HB2 ARG B 31 12.448 22.401 2.420 1.00 1.62 H new ATOM 0 HB3 ARG B 31 13.118 23.525 3.585 1.00 1.62 H new ATOM 0 HG2 ARG B 31 14.927 22.171 2.701 1.00 2.33 H new ATOM 0 HG3 ARG B 31 14.687 21.726 4.379 1.00 2.33 H new ATOM 0 HD2 ARG B 31 13.092 20.233 2.328 1.00 2.70 H new ATOM 0 HD3 ARG B 31 14.815 19.913 2.377 1.00 2.70 H new ATOM 0 HE ARG B 31 12.807 19.208 4.418 1.00 4.09 H new ATOM 0 HH11 ARG B 31 16.294 19.739 4.157 1.00 6.75 H new ATOM 0 HH12 ARG B 31 16.653 18.351 5.188 1.00 6.75 H new ATOM 0 HH21 ARG B 31 13.380 17.269 5.458 1.00 6.53 H new ATOM 0 HH22 ARG B 31 15.072 17.011 5.894 1.00 6.53 H new ATOM 1997 N LYS B 32 12.514 23.439 6.351 1.00 1.30 N ATOM 1998 CA LYS B 32 12.787 23.754 7.768 1.00 1.45 C ATOM 1999 C LYS B 32 11.945 22.912 8.753 1.00 1.24 C ATOM 2000 O LYS B 32 12.465 22.403 9.749 1.00 1.44 O ATOM 2001 CB LYS B 32 12.486 25.244 8.037 1.00 1.73 C ATOM 2002 CG LYS B 32 13.195 26.277 7.153 1.00 2.56 C ATOM 2003 CD LYS B 32 14.726 26.269 7.277 1.00 2.36 C ATOM 2004 CE LYS B 32 15.357 27.542 6.683 1.00 3.57 C ATOM 2005 NZ LYS B 32 14.902 27.798 5.294 1.00 4.93 N ATOM 0 H LYS B 32 12.375 24.266 5.771 1.00 1.30 H new ATOM 0 HA LYS B 32 13.838 23.519 7.936 1.00 1.45 H new ATOM 0 HB2 LYS B 32 11.411 25.394 7.935 1.00 1.73 H new ATOM 0 HB3 LYS B 32 12.741 25.457 9.075 1.00 1.73 H new ATOM 0 HG2 LYS B 32 12.925 26.094 6.113 1.00 2.56 H new ATOM 0 HG3 LYS B 32 12.826 27.271 7.408 1.00 2.56 H new ATOM 0 HD2 LYS B 32 15.005 26.182 8.327 1.00 2.36 H new ATOM 0 HD3 LYS B 32 15.127 25.393 6.767 1.00 2.36 H new ATOM 0 HE2 LYS B 32 15.104 28.397 7.310 1.00 3.57 H new ATOM 0 HE3 LYS B 32 16.443 27.447 6.696 1.00 3.57 H new ATOM 0 HZ1 LYS B 32 15.537 28.486 4.842 1.00 4.93 H new ATOM 0 HZ2 LYS B 32 14.915 26.909 4.755 1.00 4.93 H new ATOM 0 HZ3 LYS B 32 13.934 28.179 5.310 1.00 4.93 H new ATOM 2019 N GLU B 33 10.647 22.778 8.496 1.00 0.97 N ATOM 2020 CA GLU B 33 9.686 22.145 9.397 1.00 0.94 C ATOM 2021 C GLU B 33 9.575 20.617 9.195 1.00 0.92 C ATOM 2022 O GLU B 33 9.370 19.890 10.165 1.00 0.94 O ATOM 2023 CB GLU B 33 8.361 22.904 9.274 1.00 1.14 C ATOM 2024 CG GLU B 33 7.416 22.527 10.410 1.00 1.17 C ATOM 2025 CD GLU B 33 6.299 23.538 10.657 1.00 2.12 C ATOM 2026 OE1 GLU B 33 6.189 24.548 9.925 1.00 2.96 O ATOM 2027 OE2 GLU B 33 5.567 23.339 11.657 1.00 3.13 O ATOM 0 H GLU B 33 10.222 23.115 7.632 1.00 0.97 H new ATOM 0 HA GLU B 33 10.034 22.220 10.427 1.00 0.94 H new ATOM 0 HB2 GLU B 33 8.548 23.978 9.291 1.00 1.14 H new ATOM 0 HB3 GLU B 33 7.894 22.677 8.316 1.00 1.14 H new ATOM 0 HG2 GLU B 33 6.970 21.557 10.190 1.00 1.17 H new ATOM 0 HG3 GLU B 33 7.995 22.411 11.326 1.00 1.17 H new ATOM 2034 N LEU B 34 9.873 20.101 7.995 1.00 0.92 N ATOM 2035 CA LEU B 34 10.138 18.676 7.729 1.00 0.92 C ATOM 2036 C LEU B 34 11.392 18.171 8.462 1.00 0.95 C ATOM 2037 O LEU B 34 11.493 17.005 8.842 1.00 0.94 O ATOM 2038 CB LEU B 34 10.258 18.509 6.201 1.00 1.11 C ATOM 2039 CG LEU B 34 10.583 17.087 5.695 1.00 1.26 C ATOM 2040 CD1 LEU B 34 9.587 16.028 6.170 1.00 1.28 C ATOM 2041 CD2 LEU B 34 10.619 17.096 4.162 1.00 1.69 C ATOM 0 H LEU B 34 9.939 20.678 7.157 1.00 0.92 H new ATOM 0 HA LEU B 34 9.319 18.067 8.112 1.00 0.92 H new ATOM 0 HB2 LEU B 34 9.320 18.829 5.747 1.00 1.11 H new ATOM 0 HB3 LEU B 34 11.033 19.186 5.842 1.00 1.11 H new ATOM 0 HG LEU B 34 11.552 16.816 6.113 1.00 1.26 H new ATOM 0 HD11 LEU B 34 9.877 15.054 5.777 1.00 1.28 H new ATOM 0 HD12 LEU B 34 9.584 15.994 7.259 1.00 1.28 H new ATOM 0 HD13 LEU B 34 8.589 16.281 5.813 1.00 1.28 H new ATOM 0 HD21 LEU B 34 10.848 16.095 3.798 1.00 1.69 H new ATOM 0 HD22 LEU B 34 9.648 17.409 3.777 1.00 1.69 H new ATOM 0 HD23 LEU B 34 11.386 17.791 3.820 1.00 1.69 H new ATOM 2053 N LYS B 35 12.365 19.052 8.696 1.00 1.17 N ATOM 2054 CA LYS B 35 13.489 18.762 9.573 1.00 1.31 C ATOM 2055 C LYS B 35 13.096 18.766 11.063 1.00 1.29 C ATOM 2056 O LYS B 35 13.691 17.994 11.815 1.00 1.34 O ATOM 2057 CB LYS B 35 14.602 19.752 9.219 1.00 1.52 C ATOM 2058 CG LYS B 35 15.811 19.625 10.149 1.00 1.39 C ATOM 2059 CD LYS B 35 16.831 20.718 9.844 1.00 1.65 C ATOM 2060 CE LYS B 35 17.541 20.455 8.504 1.00 2.17 C ATOM 2061 NZ LYS B 35 18.688 21.371 8.286 1.00 3.05 N ATOM 0 H LYS B 35 12.392 19.984 8.282 1.00 1.17 H new ATOM 0 HA LYS B 35 13.849 17.746 9.414 1.00 1.31 H new ATOM 0 HB2 LYS B 35 14.919 19.585 8.190 1.00 1.52 H new ATOM 0 HB3 LYS B 35 14.211 20.768 9.272 1.00 1.52 H new ATOM 0 HG2 LYS B 35 15.489 19.699 11.188 1.00 1.39 H new ATOM 0 HG3 LYS B 35 16.271 18.644 10.027 1.00 1.39 H new ATOM 0 HD2 LYS B 35 16.332 21.686 9.811 1.00 1.65 H new ATOM 0 HD3 LYS B 35 17.568 20.766 10.646 1.00 1.65 H new ATOM 0 HE2 LYS B 35 17.892 19.424 8.478 1.00 2.17 H new ATOM 0 HE3 LYS B 35 16.827 20.569 7.688 1.00 2.17 H new ATOM 0 HZ1 LYS B 35 19.186 21.102 7.413 1.00 3.05 H new ATOM 0 HZ2 LYS B 35 18.341 22.348 8.200 1.00 3.05 H new ATOM 0 HZ3 LYS B 35 19.342 21.306 9.092 1.00 3.05 H new ATOM 2075 N GLU B 36 12.118 19.579 11.493 1.00 1.23 N ATOM 2076 CA GLU B 36 11.514 19.396 12.818 1.00 1.14 C ATOM 2077 C GLU B 36 10.823 18.025 12.900 1.00 0.78 C ATOM 2078 O GLU B 36 11.198 17.223 13.754 1.00 0.74 O ATOM 2079 CB GLU B 36 10.531 20.527 13.221 1.00 1.42 C ATOM 2080 CG GLU B 36 10.072 20.224 14.661 1.00 1.79 C ATOM 2081 CD GLU B 36 9.169 21.228 15.377 1.00 3.66 C ATOM 2082 OE1 GLU B 36 7.992 21.421 14.999 1.00 5.37 O ATOM 2083 OE2 GLU B 36 9.604 21.610 16.488 1.00 3.97 O ATOM 0 H GLU B 36 11.736 20.355 10.953 1.00 1.23 H new ATOM 0 HA GLU B 36 12.332 19.443 13.537 1.00 1.14 H new ATOM 0 HB2 GLU B 36 11.018 21.500 13.167 1.00 1.42 H new ATOM 0 HB3 GLU B 36 9.679 20.559 12.542 1.00 1.42 H new ATOM 0 HG2 GLU B 36 9.552 19.266 14.646 1.00 1.79 H new ATOM 0 HG3 GLU B 36 10.966 20.092 15.271 1.00 1.79 H new ATOM 2090 N LEU B 37 9.851 17.783 12.010 1.00 0.75 N ATOM 2091 CA LEU B 37 8.920 16.655 12.001 1.00 0.75 C ATOM 2092 C LEU B 37 9.608 15.341 12.358 1.00 0.72 C ATOM 2093 O LEU B 37 9.310 14.745 13.390 1.00 0.77 O ATOM 2094 CB LEU B 37 8.253 16.612 10.605 1.00 0.79 C ATOM 2095 CG LEU B 37 7.392 15.366 10.292 1.00 0.86 C ATOM 2096 CD1 LEU B 37 6.109 15.303 11.099 1.00 1.17 C ATOM 2097 CD2 LEU B 37 6.992 15.364 8.816 1.00 1.43 C ATOM 0 H LEU B 37 9.686 18.415 11.226 1.00 0.75 H new ATOM 0 HA LEU B 37 8.158 16.792 12.769 1.00 0.75 H new ATOM 0 HB2 LEU B 37 7.625 17.497 10.499 1.00 0.79 H new ATOM 0 HB3 LEU B 37 9.036 16.685 9.850 1.00 0.79 H new ATOM 0 HG LEU B 37 8.012 14.508 10.552 1.00 0.86 H new ATOM 0 HD11 LEU B 37 5.554 14.405 10.830 1.00 1.17 H new ATOM 0 HD12 LEU B 37 6.349 15.277 12.162 1.00 1.17 H new ATOM 0 HD13 LEU B 37 5.502 16.183 10.886 1.00 1.17 H new ATOM 0 HD21 LEU B 37 6.386 14.483 8.604 1.00 1.43 H new ATOM 0 HD22 LEU B 37 6.416 16.262 8.594 1.00 1.43 H new ATOM 0 HD23 LEU B 37 7.888 15.345 8.196 1.00 1.43 H new ATOM 2109 N ILE B 38 10.576 14.927 11.541 1.00 0.70 N ATOM 2110 CA ILE B 38 11.195 13.599 11.627 1.00 0.78 C ATOM 2111 C ILE B 38 11.947 13.429 12.956 1.00 0.83 C ATOM 2112 O ILE B 38 11.818 12.395 13.602 1.00 1.14 O ATOM 2113 CB ILE B 38 12.053 13.359 10.361 1.00 0.78 C ATOM 2114 CG1 ILE B 38 11.151 13.414 9.099 1.00 1.15 C ATOM 2115 CG2 ILE B 38 12.789 12.005 10.449 1.00 1.12 C ATOM 2116 CD1 ILE B 38 11.926 13.489 7.782 1.00 1.32 C ATOM 0 H ILE B 38 10.958 15.507 10.794 1.00 0.70 H new ATOM 0 HA ILE B 38 10.435 12.818 11.641 1.00 0.78 H new ATOM 0 HB ILE B 38 12.806 14.144 10.290 1.00 0.78 H new ATOM 0 HG12 ILE B 38 10.512 12.531 9.083 1.00 1.15 H new ATOM 0 HG13 ILE B 38 10.494 14.281 9.172 1.00 1.15 H new ATOM 0 HG21 ILE B 38 13.386 11.856 9.549 1.00 1.12 H new ATOM 0 HG22 ILE B 38 13.441 12.002 11.322 1.00 1.12 H new ATOM 0 HG23 ILE B 38 12.060 11.200 10.538 1.00 1.12 H new ATOM 0 HD11 ILE B 38 11.224 13.524 6.949 1.00 1.32 H new ATOM 0 HD12 ILE B 38 12.544 14.387 7.774 1.00 1.32 H new ATOM 0 HD13 ILE B 38 12.562 12.610 7.684 1.00 1.32 H new ATOM 2128 N LYS B 39 12.652 14.457 13.446 1.00 0.76 N ATOM 2129 CA LYS B 39 13.341 14.457 14.744 1.00 0.86 C ATOM 2130 C LYS B 39 12.411 14.731 15.958 1.00 0.95 C ATOM 2131 O LYS B 39 12.891 14.887 17.084 1.00 1.19 O ATOM 2132 CB LYS B 39 14.538 15.423 14.638 1.00 0.95 C ATOM 2133 CG LYS B 39 15.813 14.756 14.078 1.00 1.11 C ATOM 2134 CD LYS B 39 16.557 13.899 15.123 1.00 1.40 C ATOM 2135 CE LYS B 39 17.743 13.140 14.499 1.00 1.96 C ATOM 2136 NZ LYS B 39 18.520 12.376 15.507 1.00 2.49 N ATOM 0 H LYS B 39 12.762 15.335 12.938 1.00 0.76 H new ATOM 0 HA LYS B 39 13.705 13.452 14.958 1.00 0.86 H new ATOM 0 HB2 LYS B 39 14.264 16.261 13.998 1.00 0.95 H new ATOM 0 HB3 LYS B 39 14.754 15.833 15.625 1.00 0.95 H new ATOM 0 HG2 LYS B 39 15.544 14.129 13.228 1.00 1.11 H new ATOM 0 HG3 LYS B 39 16.486 15.528 13.705 1.00 1.11 H new ATOM 0 HD2 LYS B 39 16.918 14.539 15.928 1.00 1.40 H new ATOM 0 HD3 LYS B 39 15.863 13.186 15.569 1.00 1.40 H new ATOM 0 HE2 LYS B 39 17.372 12.456 13.736 1.00 1.96 H new ATOM 0 HE3 LYS B 39 18.402 13.849 13.998 1.00 1.96 H new ATOM 0 HZ1 LYS B 39 18.824 11.470 15.097 1.00 2.49 H new ATOM 0 HZ2 LYS B 39 19.356 12.926 15.790 1.00 2.49 H new ATOM 0 HZ3 LYS B 39 17.925 12.197 16.341 1.00 2.49 H new ATOM 2150 N LYS B 40 11.089 14.814 15.749 1.00 0.92 N ATOM 2151 CA LYS B 40 10.053 14.768 16.794 1.00 1.08 C ATOM 2152 C LYS B 40 9.213 13.487 16.745 1.00 1.18 C ATOM 2153 O LYS B 40 8.843 12.952 17.786 1.00 1.42 O ATOM 2154 CB LYS B 40 9.098 15.957 16.609 1.00 1.15 C ATOM 2155 CG LYS B 40 9.685 17.342 16.862 1.00 1.32 C ATOM 2156 CD LYS B 40 10.298 17.438 18.257 1.00 1.76 C ATOM 2157 CE LYS B 40 10.280 18.890 18.753 1.00 2.12 C ATOM 2158 NZ LYS B 40 11.046 19.797 17.866 1.00 2.33 N ATOM 0 H LYS B 40 10.696 14.919 14.813 1.00 0.92 H new ATOM 0 HA LYS B 40 10.571 14.802 17.752 1.00 1.08 H new ATOM 0 HB2 LYS B 40 8.712 15.930 15.590 1.00 1.15 H new ATOM 0 HB3 LYS B 40 8.247 15.819 17.276 1.00 1.15 H new ATOM 0 HG2 LYS B 40 10.446 17.559 16.112 1.00 1.32 H new ATOM 0 HG3 LYS B 40 8.905 18.096 16.752 1.00 1.32 H new ATOM 0 HD2 LYS B 40 9.743 16.804 18.949 1.00 1.76 H new ATOM 0 HD3 LYS B 40 11.323 17.067 18.237 1.00 1.76 H new ATOM 0 HE2 LYS B 40 9.249 19.236 18.819 1.00 2.12 H new ATOM 0 HE3 LYS B 40 10.696 18.933 19.760 1.00 2.12 H new ATOM 0 HZ1 LYS B 40 11.716 20.354 18.434 1.00 2.33 H new ATOM 0 HZ2 LYS B 40 11.570 19.236 17.164 1.00 2.33 H new ATOM 0 HZ3 LYS B 40 10.390 20.439 17.376 1.00 2.33 H new ATOM 2172 N GLU B 41 8.918 13.019 15.539 1.00 1.12 N ATOM 2173 CA GLU B 41 8.298 11.723 15.234 1.00 1.36 C ATOM 2174 C GLU B 41 9.129 10.564 15.783 1.00 1.04 C ATOM 2175 O GLU B 41 8.597 9.631 16.396 1.00 1.21 O ATOM 2176 CB GLU B 41 8.237 11.540 13.718 1.00 1.95 C ATOM 2177 CG GLU B 41 7.122 12.325 13.034 1.00 2.06 C ATOM 2178 CD GLU B 41 7.119 12.003 11.542 1.00 3.86 C ATOM 2179 OE1 GLU B 41 8.223 11.904 10.957 1.00 4.99 O ATOM 2180 OE2 GLU B 41 6.004 11.843 10.994 1.00 4.79 O ATOM 0 H GLU B 41 9.113 13.559 14.696 1.00 1.12 H new ATOM 0 HA GLU B 41 7.307 11.718 15.689 1.00 1.36 H new ATOM 0 HB2 GLU B 41 9.193 11.841 13.289 1.00 1.95 H new ATOM 0 HB3 GLU B 41 8.108 10.481 13.497 1.00 1.95 H new ATOM 0 HG2 GLU B 41 6.158 12.069 13.475 1.00 2.06 H new ATOM 0 HG3 GLU B 41 7.268 13.394 13.186 1.00 2.06 H new ATOM 2187 N LEU B 42 10.442 10.645 15.574 1.00 0.89 N ATOM 2188 CA LEU B 42 11.427 9.774 16.187 1.00 1.05 C ATOM 2189 C LEU B 42 12.534 10.599 16.819 1.00 1.20 C ATOM 2190 O LEU B 42 12.792 11.747 16.481 1.00 1.48 O ATOM 2191 CB LEU B 42 11.992 8.793 15.142 1.00 1.40 C ATOM 2192 CG LEU B 42 10.991 7.669 14.831 1.00 1.33 C ATOM 2193 CD1 LEU B 42 11.358 6.955 13.524 1.00 1.46 C ATOM 2194 CD2 LEU B 42 10.866 6.652 15.974 1.00 2.58 C ATOM 0 H LEU B 42 10.856 11.341 14.954 1.00 0.89 H new ATOM 0 HA LEU B 42 10.948 9.191 16.974 1.00 1.05 H new ATOM 0 HB2 LEU B 42 12.232 9.333 14.226 1.00 1.40 H new ATOM 0 HB3 LEU B 42 12.923 8.362 15.511 1.00 1.40 H new ATOM 0 HG LEU B 42 10.018 8.146 14.717 1.00 1.33 H new ATOM 0 HD11 LEU B 42 10.635 6.164 13.326 1.00 1.46 H new ATOM 0 HD12 LEU B 42 11.346 7.671 12.702 1.00 1.46 H new ATOM 0 HD13 LEU B 42 12.354 6.522 13.613 1.00 1.46 H new ATOM 0 HD21 LEU B 42 10.146 5.882 15.698 1.00 2.58 H new ATOM 0 HD22 LEU B 42 11.837 6.192 16.159 1.00 2.58 H new ATOM 0 HD23 LEU B 42 10.527 7.159 16.877 1.00 2.58 H new ATOM 2206 N CYS B 43 13.228 9.939 17.732 1.00 1.43 N ATOM 2207 CA CYS B 43 14.504 10.445 18.249 1.00 1.72 C ATOM 2208 C CYS B 43 15.632 10.197 17.244 1.00 2.28 C ATOM 2209 O CYS B 43 16.418 11.098 16.938 1.00 3.88 O ATOM 2210 CB CYS B 43 14.743 9.782 19.609 1.00 1.81 C ATOM 2211 SG CYS B 43 16.305 10.338 20.329 1.00 3.33 S ATOM 0 H CYS B 43 12.934 9.049 18.135 1.00 1.43 H new ATOM 0 HA CYS B 43 14.478 11.526 18.388 1.00 1.72 H new ATOM 0 HB2 CYS B 43 13.921 10.020 20.284 1.00 1.81 H new ATOM 0 HB3 CYS B 43 14.756 8.698 19.493 1.00 1.81 H new ATOM 0 HG CYS B 43 17.221 9.439 20.125 1.00 3.33 H new ATOM 2217 N LEU B 44 15.682 8.954 16.746 1.00 1.69 N ATOM 2218 CA LEU B 44 16.806 8.278 16.102 1.00 2.08 C ATOM 2219 C LEU B 44 18.129 9.046 16.110 1.00 2.56 C ATOM 2220 O LEU B 44 18.580 9.616 15.119 1.00 3.62 O ATOM 2221 CB LEU B 44 16.396 7.636 14.765 1.00 2.36 C ATOM 2222 CG LEU B 44 16.076 6.136 14.953 1.00 2.49 C ATOM 2223 CD1 LEU B 44 14.843 5.873 15.829 1.00 3.54 C ATOM 2224 CD2 LEU B 44 15.863 5.495 13.587 1.00 3.21 C ATOM 0 H LEU B 44 14.863 8.347 16.790 1.00 1.69 H new ATOM 0 HA LEU B 44 17.067 7.441 16.749 1.00 2.08 H new ATOM 0 HB2 LEU B 44 15.524 8.151 14.361 1.00 2.36 H new ATOM 0 HB3 LEU B 44 17.200 7.753 14.038 1.00 2.36 H new ATOM 0 HG LEU B 44 16.929 5.697 15.471 1.00 2.49 H new ATOM 0 HD11 LEU B 44 14.681 4.799 15.916 1.00 3.54 H new ATOM 0 HD12 LEU B 44 15.004 6.297 16.820 1.00 3.54 H new ATOM 0 HD13 LEU B 44 13.968 6.337 15.374 1.00 3.54 H new ATOM 0 HD21 LEU B 44 15.637 4.436 13.713 1.00 3.21 H new ATOM 0 HD22 LEU B 44 15.032 5.986 13.080 1.00 3.21 H new ATOM 0 HD23 LEU B 44 16.768 5.604 12.989 1.00 3.21 H new ATOM 2236 N GLY B 45 18.720 9.030 17.301 1.00 2.33 N ATOM 2237 CA GLY B 45 20.130 9.287 17.595 1.00 2.82 C ATOM 2238 C GLY B 45 20.714 8.203 18.508 1.00 2.55 C ATOM 2239 O GLY B 45 21.879 7.854 18.380 1.00 3.27 O ATOM 0 H GLY B 45 18.190 8.823 18.148 1.00 2.33 H new ATOM 0 HA2 GLY B 45 20.697 9.326 16.665 1.00 2.82 H new ATOM 0 HA3 GLY B 45 20.233 10.262 18.072 1.00 2.82 H new ATOM 2242 N GLU B 46 19.863 7.578 19.331 1.00 2.49 N ATOM 2243 CA GLU B 46 20.127 6.444 20.224 1.00 3.16 C ATOM 2244 C GLU B 46 20.576 5.148 19.516 1.00 3.05 C ATOM 2245 O GLU B 46 20.900 4.166 20.178 1.00 4.12 O ATOM 2246 CB GLU B 46 18.875 6.189 21.098 1.00 3.95 C ATOM 2247 CG GLU B 46 17.656 5.522 20.416 1.00 3.99 C ATOM 2248 CD GLU B 46 16.729 6.439 19.605 1.00 4.16 C ATOM 2249 OE1 GLU B 46 17.155 7.542 19.194 1.00 4.27 O ATOM 2250 OE2 GLU B 46 15.565 6.029 19.379 1.00 4.99 O ATOM 0 H GLU B 46 18.890 7.878 19.394 1.00 2.49 H new ATOM 0 HA GLU B 46 20.981 6.727 20.839 1.00 3.16 H new ATOM 0 HB2 GLU B 46 19.173 5.565 21.940 1.00 3.95 H new ATOM 0 HB3 GLU B 46 18.550 7.145 21.509 1.00 3.95 H new ATOM 0 HG2 GLU B 46 18.024 4.739 19.753 1.00 3.99 H new ATOM 0 HG3 GLU B 46 17.061 5.033 21.187 1.00 3.99 H new ATOM 2257 N MET B 47 20.574 5.138 18.180 1.00 2.20 N ATOM 2258 CA MET B 47 21.164 4.103 17.322 1.00 2.35 C ATOM 2259 C MET B 47 21.758 4.778 16.081 1.00 1.83 C ATOM 2260 O MET B 47 22.954 4.746 15.815 1.00 2.10 O ATOM 2261 CB MET B 47 20.104 3.067 16.892 1.00 3.14 C ATOM 2262 CG MET B 47 19.515 2.249 18.047 1.00 3.94 C ATOM 2263 SD MET B 47 18.043 1.302 17.580 1.00 4.31 S ATOM 2264 CE MET B 47 16.898 2.681 17.302 1.00 3.31 C ATOM 0 H MET B 47 20.140 5.887 17.640 1.00 2.20 H new ATOM 0 HA MET B 47 21.940 3.578 17.880 1.00 2.35 H new ATOM 0 HB2 MET B 47 19.294 3.585 16.379 1.00 3.14 H new ATOM 0 HB3 MET B 47 20.552 2.384 16.170 1.00 3.14 H new ATOM 0 HG2 MET B 47 20.275 1.564 18.422 1.00 3.94 H new ATOM 0 HG3 MET B 47 19.261 2.922 18.866 1.00 3.94 H new ATOM 0 HE1 MET B 47 15.874 2.341 17.460 1.00 3.31 H new ATOM 0 HE2 MET B 47 17.124 3.488 17.999 1.00 3.31 H new ATOM 0 HE3 MET B 47 17.007 3.044 16.280 1.00 3.31 H new ATOM 2274 N LYS B 48 20.888 5.419 15.299 1.00 1.83 N ATOM 2275 CA LYS B 48 21.200 6.009 14.000 1.00 2.04 C ATOM 2276 C LYS B 48 21.584 7.474 14.063 1.00 2.53 C ATOM 2277 O LYS B 48 20.909 8.356 13.554 1.00 2.92 O ATOM 2278 CB LYS B 48 20.035 5.685 13.076 1.00 2.40 C ATOM 2279 CG LYS B 48 20.328 4.295 12.530 1.00 2.43 C ATOM 2280 CD LYS B 48 21.312 4.253 11.352 1.00 3.34 C ATOM 2281 CE LYS B 48 20.811 5.064 10.142 1.00 4.74 C ATOM 2282 NZ LYS B 48 21.672 4.880 8.950 1.00 6.35 N ATOM 0 H LYS B 48 19.911 5.545 15.564 1.00 1.83 H new ATOM 0 HA LYS B 48 22.111 5.570 13.593 1.00 2.04 H new ATOM 0 HB2 LYS B 48 19.088 5.704 13.616 1.00 2.40 H new ATOM 0 HB3 LYS B 48 19.957 6.415 12.271 1.00 2.40 H new ATOM 0 HG2 LYS B 48 20.726 3.680 13.338 1.00 2.43 H new ATOM 0 HG3 LYS B 48 19.389 3.840 12.216 1.00 2.43 H new ATOM 0 HD2 LYS B 48 22.277 4.644 11.674 1.00 3.34 H new ATOM 0 HD3 LYS B 48 21.471 3.217 11.052 1.00 3.34 H new ATOM 0 HE2 LYS B 48 19.791 4.763 9.902 1.00 4.74 H new ATOM 0 HE3 LYS B 48 20.777 6.121 10.404 1.00 4.74 H new ATOM 0 HZ1 LYS B 48 21.718 5.770 8.414 1.00 6.35 H new ATOM 0 HZ2 LYS B 48 22.629 4.608 9.252 1.00 6.35 H new ATOM 0 HZ3 LYS B 48 21.274 4.133 8.346 1.00 6.35 H new ATOM 2296 N GLU B 49 22.750 7.653 14.643 1.00 3.06 N ATOM 2297 CA GLU B 49 23.524 8.891 14.545 1.00 3.56 C ATOM 2298 C GLU B 49 24.460 8.916 13.325 1.00 3.16 C ATOM 2299 O GLU B 49 24.792 7.875 12.752 1.00 3.20 O ATOM 2300 CB GLU B 49 24.306 9.157 15.841 1.00 4.66 C ATOM 2301 CG GLU B 49 23.710 10.333 16.626 1.00 5.71 C ATOM 2302 CD GLU B 49 23.536 11.596 15.775 1.00 6.35 C ATOM 2303 OE1 GLU B 49 24.474 11.907 15.005 1.00 6.50 O ATOM 2304 OE2 GLU B 49 22.411 12.152 15.779 1.00 7.13 O ATOM 0 H GLU B 49 23.203 6.935 15.208 1.00 3.06 H new ATOM 0 HA GLU B 49 22.803 9.696 14.402 1.00 3.56 H new ATOM 0 HB2 GLU B 49 24.297 8.262 16.463 1.00 4.66 H new ATOM 0 HB3 GLU B 49 25.348 9.369 15.601 1.00 4.66 H new ATOM 0 HG2 GLU B 49 22.742 10.039 17.031 1.00 5.71 H new ATOM 0 HG3 GLU B 49 24.355 10.560 17.475 1.00 5.71 H new ATOM 2311 N SER B 50 24.885 10.122 12.934 1.00 3.63 N ATOM 2312 CA SER B 50 25.723 10.511 11.790 1.00 3.62 C ATOM 2313 C SER B 50 25.124 10.153 10.417 1.00 3.38 C ATOM 2314 O SER B 50 24.817 11.016 9.600 1.00 3.93 O ATOM 2315 CB SER B 50 27.149 9.962 11.956 1.00 3.96 C ATOM 2316 OG SER B 50 27.229 8.549 11.812 1.00 3.60 O ATOM 0 H SER B 50 24.620 10.946 13.474 1.00 3.63 H new ATOM 0 HA SER B 50 25.763 11.600 11.797 1.00 3.62 H new ATOM 0 HB2 SER B 50 27.800 10.433 11.219 1.00 3.96 H new ATOM 0 HB3 SER B 50 27.526 10.242 12.940 1.00 3.96 H new ATOM 0 HG SER B 50 26.459 8.131 12.251 1.00 3.60 H new ATOM 2322 N SER B 51 24.850 8.874 10.183 1.00 3.30 N ATOM 2323 CA SER B 51 24.298 8.286 8.953 1.00 3.20 C ATOM 2324 C SER B 51 22.777 8.507 8.840 1.00 2.91 C ATOM 2325 O SER B 51 22.021 7.623 8.428 1.00 3.62 O ATOM 2326 CB SER B 51 24.665 6.797 8.931 1.00 3.63 C ATOM 2327 OG SER B 51 26.053 6.582 9.123 1.00 4.47 O ATOM 0 H SER B 51 25.018 8.164 10.896 1.00 3.30 H new ATOM 0 HA SER B 51 24.730 8.782 8.084 1.00 3.20 H new ATOM 0 HB2 SER B 51 24.108 6.276 9.710 1.00 3.63 H new ATOM 0 HB3 SER B 51 24.361 6.364 7.978 1.00 3.63 H new ATOM 0 HG SER B 51 26.241 5.620 9.103 1.00 4.47 H new ATOM 2333 N ILE B 52 22.345 9.691 9.286 1.00 2.46 N ATOM 2334 CA ILE B 52 21.030 10.321 9.084 1.00 2.09 C ATOM 2335 C ILE B 52 21.136 11.727 8.462 1.00 1.60 C ATOM 2336 O ILE B 52 20.150 12.203 7.892 1.00 1.43 O ATOM 2337 CB ILE B 52 20.207 10.303 10.393 1.00 2.38 C ATOM 2338 CG1 ILE B 52 20.880 10.875 11.669 1.00 2.70 C ATOM 2339 CG2 ILE B 52 19.805 8.847 10.681 1.00 2.60 C ATOM 2340 CD1 ILE B 52 21.233 12.364 11.643 1.00 2.70 C ATOM 0 H ILE B 52 22.956 10.286 9.845 1.00 2.46 H new ATOM 0 HA ILE B 52 20.487 9.724 8.351 1.00 2.09 H new ATOM 0 HB ILE B 52 19.371 10.975 10.200 1.00 2.38 H new ATOM 0 HG12 ILE B 52 20.216 10.696 12.515 1.00 2.70 H new ATOM 0 HG13 ILE B 52 21.794 10.311 11.856 1.00 2.70 H new ATOM 0 HG21 ILE B 52 19.222 8.806 11.601 1.00 2.60 H new ATOM 0 HG22 ILE B 52 19.206 8.465 9.855 1.00 2.60 H new ATOM 0 HG23 ILE B 52 20.702 8.237 10.792 1.00 2.60 H new ATOM 0 HD11 ILE B 52 21.697 12.645 12.589 1.00 2.70 H new ATOM 0 HD12 ILE B 52 21.928 12.559 10.826 1.00 2.70 H new ATOM 0 HD13 ILE B 52 20.326 12.950 11.496 1.00 2.70 H new ATOM 2352 N ASP B 53 22.325 12.352 8.496 1.00 1.49 N ATOM 2353 CA ASP B 53 22.645 13.568 7.739 1.00 1.21 C ATOM 2354 C ASP B 53 22.464 13.345 6.240 1.00 0.95 C ATOM 2355 O ASP B 53 21.979 14.223 5.534 1.00 1.21 O ATOM 2356 CB ASP B 53 24.109 13.983 7.980 1.00 1.67 C ATOM 2357 CG ASP B 53 24.521 15.110 7.013 1.00 2.66 C ATOM 2358 OD1 ASP B 53 24.091 16.258 7.251 1.00 3.06 O ATOM 2359 OD2 ASP B 53 25.204 14.800 6.004 1.00 3.94 O ATOM 0 H ASP B 53 23.104 12.017 9.063 1.00 1.49 H new ATOM 0 HA ASP B 53 21.966 14.349 8.082 1.00 1.21 H new ATOM 0 HB2 ASP B 53 24.233 14.317 9.010 1.00 1.67 H new ATOM 0 HB3 ASP B 53 24.764 13.122 7.843 1.00 1.67 H new ATOM 2364 N ASP B 54 22.861 12.168 5.752 1.00 1.16 N ATOM 2365 CA ASP B 54 23.071 11.957 4.331 1.00 1.53 C ATOM 2366 C ASP B 54 21.779 12.097 3.515 1.00 1.52 C ATOM 2367 O ASP B 54 21.753 12.736 2.459 1.00 1.91 O ATOM 2368 CB ASP B 54 23.837 10.638 4.143 1.00 2.16 C ATOM 2369 CG ASP B 54 24.632 10.621 2.836 1.00 2.86 C ATOM 2370 OD1 ASP B 54 25.262 11.665 2.541 1.00 3.14 O ATOM 2371 OD2 ASP B 54 24.644 9.556 2.185 1.00 3.88 O ATOM 0 H ASP B 54 23.042 11.347 6.329 1.00 1.16 H new ATOM 0 HA ASP B 54 23.694 12.750 3.917 1.00 1.53 H new ATOM 0 HB2 ASP B 54 24.516 10.490 4.983 1.00 2.16 H new ATOM 0 HB3 ASP B 54 23.134 9.805 4.151 1.00 2.16 H new ATOM 2376 N LEU B 55 20.667 11.650 4.106 1.00 1.17 N ATOM 2377 CA LEU B 55 19.325 11.950 3.621 1.00 1.04 C ATOM 2378 C LEU B 55 18.949 13.410 3.899 1.00 0.97 C ATOM 2379 O LEU B 55 18.475 14.093 2.987 1.00 1.19 O ATOM 2380 CB LEU B 55 18.315 10.973 4.248 1.00 0.89 C ATOM 2381 CG LEU B 55 18.624 9.480 4.039 1.00 1.20 C ATOM 2382 CD1 LEU B 55 17.454 8.663 4.599 1.00 1.19 C ATOM 2383 CD2 LEU B 55 18.860 9.135 2.559 1.00 1.44 C ATOM 0 H LEU B 55 20.678 11.065 4.941 1.00 1.17 H new ATOM 0 HA LEU B 55 19.303 11.819 2.539 1.00 1.04 H new ATOM 0 HB2 LEU B 55 18.262 11.169 5.319 1.00 0.89 H new ATOM 0 HB3 LEU B 55 17.328 11.183 3.836 1.00 0.89 H new ATOM 0 HG LEU B 55 19.548 9.237 4.565 1.00 1.20 H new ATOM 0 HD11 LEU B 55 17.653 7.600 4.461 1.00 1.19 H new ATOM 0 HD12 LEU B 55 17.338 8.875 5.662 1.00 1.19 H new ATOM 0 HD13 LEU B 55 16.538 8.932 4.073 1.00 1.19 H new ATOM 0 HD21 LEU B 55 19.074 8.071 2.463 1.00 1.44 H new ATOM 0 HD22 LEU B 55 17.968 9.379 1.982 1.00 1.44 H new ATOM 0 HD23 LEU B 55 19.705 9.711 2.182 1.00 1.44 H new ATOM 2395 N MET B 56 19.169 13.909 5.124 1.00 0.86 N ATOM 2396 CA MET B 56 18.807 15.273 5.511 1.00 1.04 C ATOM 2397 C MET B 56 19.344 16.319 4.547 1.00 1.34 C ATOM 2398 O MET B 56 18.519 17.034 3.984 1.00 1.90 O ATOM 2399 CB MET B 56 19.234 15.572 6.955 1.00 1.12 C ATOM 2400 CG MET B 56 18.102 15.301 7.921 1.00 1.39 C ATOM 2401 SD MET B 56 16.688 16.420 7.777 1.00 2.34 S ATOM 2402 CE MET B 56 15.665 15.531 8.957 1.00 1.96 C ATOM 0 H MET B 56 19.605 13.373 5.874 1.00 0.86 H new ATOM 0 HA MET B 56 17.720 15.334 5.459 1.00 1.04 H new ATOM 0 HB2 MET B 56 20.096 14.959 7.218 1.00 1.12 H new ATOM 0 HB3 MET B 56 19.546 16.613 7.038 1.00 1.12 H new ATOM 0 HG2 MET B 56 17.754 14.279 7.771 1.00 1.39 H new ATOM 0 HG3 MET B 56 18.490 15.360 8.938 1.00 1.39 H new ATOM 0 HE1 MET B 56 14.615 15.654 8.693 1.00 1.96 H new ATOM 0 HE2 MET B 56 15.923 14.472 8.937 1.00 1.96 H new ATOM 0 HE3 MET B 56 15.836 15.927 9.958 1.00 1.96 H new ATOM 2412 N LYS B 57 20.656 16.406 4.294 1.00 1.11 N ATOM 2413 CA LYS B 57 21.224 17.366 3.335 1.00 1.31 C ATOM 2414 C LYS B 57 21.043 16.985 1.858 1.00 1.61 C ATOM 2415 O LYS B 57 21.191 17.843 0.988 1.00 2.01 O ATOM 2416 CB LYS B 57 22.612 17.857 3.785 1.00 1.24 C ATOM 2417 CG LYS B 57 23.732 16.825 3.884 1.00 1.75 C ATOM 2418 CD LYS B 57 24.256 16.385 2.513 1.00 3.63 C ATOM 2419 CE LYS B 57 24.326 14.862 2.448 1.00 5.53 C ATOM 2420 NZ LYS B 57 25.410 14.312 3.302 1.00 6.42 N ATOM 0 H LYS B 57 21.353 15.815 4.746 1.00 1.11 H new ATOM 0 HA LYS B 57 20.609 18.266 3.362 1.00 1.31 H new ATOM 0 HB2 LYS B 57 22.933 18.635 3.093 1.00 1.24 H new ATOM 0 HB3 LYS B 57 22.501 18.326 4.763 1.00 1.24 H new ATOM 0 HG2 LYS B 57 24.554 17.242 4.465 1.00 1.75 H new ATOM 0 HG3 LYS B 57 23.369 15.952 4.426 1.00 1.75 H new ATOM 0 HD2 LYS B 57 23.602 16.762 1.726 1.00 3.63 H new ATOM 0 HD3 LYS B 57 25.244 16.811 2.338 1.00 3.63 H new ATOM 0 HE2 LYS B 57 23.370 14.443 2.762 1.00 5.53 H new ATOM 0 HE3 LYS B 57 24.486 14.551 1.416 1.00 5.53 H new ATOM 0 HZ1 LYS B 57 25.589 13.322 3.040 1.00 6.42 H new ATOM 0 HZ2 LYS B 57 26.277 14.869 3.164 1.00 6.42 H new ATOM 0 HZ3 LYS B 57 25.123 14.360 4.301 1.00 6.42 H new ATOM 2434 N SER B 58 20.601 15.760 1.557 1.00 1.59 N ATOM 2435 CA SER B 58 20.046 15.455 0.228 1.00 1.97 C ATOM 2436 C SER B 58 18.758 16.261 -0.027 1.00 2.13 C ATOM 2437 O SER B 58 18.579 16.772 -1.134 1.00 2.45 O ATOM 2438 CB SER B 58 19.810 13.946 0.053 1.00 1.93 C ATOM 2439 OG SER B 58 19.563 13.630 -1.306 1.00 2.54 O ATOM 0 H SER B 58 20.614 14.971 2.203 1.00 1.59 H new ATOM 0 HA SER B 58 20.780 15.756 -0.519 1.00 1.97 H new ATOM 0 HB2 SER B 58 20.680 13.394 0.407 1.00 1.93 H new ATOM 0 HB3 SER B 58 18.963 13.632 0.664 1.00 1.93 H new ATOM 0 HG SER B 58 19.417 12.665 -1.396 1.00 2.54 H new ATOM 2445 N LEU B 59 17.907 16.476 0.992 1.00 2.05 N ATOM 2446 CA LEU B 59 16.777 17.407 0.893 1.00 2.37 C ATOM 2447 C LEU B 59 17.141 18.854 1.249 1.00 2.23 C ATOM 2448 O LEU B 59 16.542 19.773 0.710 1.00 2.31 O ATOM 2449 CB LEU B 59 15.609 16.934 1.775 1.00 2.65 C ATOM 2450 CG LEU B 59 14.932 15.606 1.385 1.00 2.89 C ATOM 2451 CD1 LEU B 59 13.650 15.468 2.226 1.00 3.34 C ATOM 2452 CD2 LEU B 59 14.592 15.516 -0.108 1.00 3.17 C ATOM 0 H LEU B 59 17.985 16.013 1.897 1.00 2.05 H new ATOM 0 HA LEU B 59 16.479 17.405 -0.156 1.00 2.37 H new ATOM 0 HB2 LEU B 59 15.973 16.841 2.798 1.00 2.65 H new ATOM 0 HB3 LEU B 59 14.848 17.714 1.777 1.00 2.65 H new ATOM 0 HG LEU B 59 15.632 14.794 1.583 1.00 2.89 H new ATOM 0 HD11 LEU B 59 13.147 14.535 1.972 1.00 3.34 H new ATOM 0 HD12 LEU B 59 13.908 15.464 3.285 1.00 3.34 H new ATOM 0 HD13 LEU B 59 12.986 16.307 2.017 1.00 3.34 H new ATOM 0 HD21 LEU B 59 14.118 14.557 -0.316 1.00 3.17 H new ATOM 0 HD22 LEU B 59 13.910 16.323 -0.375 1.00 3.17 H new ATOM 0 HD23 LEU B 59 15.506 15.604 -0.695 1.00 3.17 H new ATOM 2464 N ASP B 60 18.075 19.102 2.164 1.00 2.02 N ATOM 2465 CA ASP B 60 18.283 20.434 2.749 1.00 1.84 C ATOM 2466 C ASP B 60 18.876 21.478 1.792 1.00 1.52 C ATOM 2467 O ASP B 60 18.650 22.672 1.975 1.00 1.79 O ATOM 2468 CB ASP B 60 19.102 20.317 4.035 1.00 1.75 C ATOM 2469 CG ASP B 60 18.626 21.282 5.109 1.00 2.10 C ATOM 2470 OD1 ASP B 60 17.406 21.283 5.397 1.00 3.54 O ATOM 2471 OD2 ASP B 60 19.480 21.890 5.781 1.00 2.01 O ATOM 0 H ASP B 60 18.711 18.390 2.524 1.00 2.02 H new ATOM 0 HA ASP B 60 17.290 20.820 2.979 1.00 1.84 H new ATOM 0 HB2 ASP B 60 19.039 19.296 4.412 1.00 1.75 H new ATOM 0 HB3 ASP B 60 20.152 20.511 3.814 1.00 1.75 H new ATOM 2476 N LYS B 61 19.500 21.033 0.698 1.00 1.38 N ATOM 2477 CA LYS B 61 19.594 21.754 -0.569 1.00 1.46 C ATOM 2478 C LYS B 61 18.388 22.668 -0.875 1.00 1.51 C ATOM 2479 O LYS B 61 18.526 23.845 -1.198 1.00 1.75 O ATOM 2480 CB LYS B 61 19.717 20.621 -1.563 1.00 1.53 C ATOM 2481 CG LYS B 61 19.714 20.999 -3.044 1.00 2.68 C ATOM 2482 CD LYS B 61 20.325 19.828 -3.820 1.00 3.49 C ATOM 2483 CE LYS B 61 19.868 18.454 -3.313 1.00 4.12 C ATOM 2484 NZ LYS B 61 18.416 18.190 -3.476 1.00 5.35 N ATOM 0 H LYS B 61 19.970 20.128 0.672 1.00 1.38 H new ATOM 0 HA LYS B 61 20.424 22.461 -0.582 1.00 1.46 H new ATOM 0 HB2 LYS B 61 20.641 20.083 -1.352 1.00 1.53 H new ATOM 0 HB3 LYS B 61 18.896 19.926 -1.388 1.00 1.53 H new ATOM 0 HG2 LYS B 61 18.699 21.198 -3.387 1.00 2.68 H new ATOM 0 HG3 LYS B 61 20.290 21.910 -3.208 1.00 2.68 H new ATOM 0 HD2 LYS B 61 20.062 19.924 -4.873 1.00 3.49 H new ATOM 0 HD3 LYS B 61 21.412 19.887 -3.756 1.00 3.49 H new ATOM 0 HE2 LYS B 61 20.427 17.681 -3.841 1.00 4.12 H new ATOM 0 HE3 LYS B 61 20.124 18.367 -2.257 1.00 4.12 H new ATOM 0 HZ1 LYS B 61 18.124 17.439 -2.818 1.00 5.35 H new ATOM 0 HZ2 LYS B 61 17.880 19.058 -3.271 1.00 5.35 H new ATOM 0 HZ3 LYS B 61 18.226 17.888 -4.453 1.00 5.35 H new ATOM 2498 N ASN B 62 17.183 22.123 -0.741 1.00 1.69 N ATOM 2499 CA ASN B 62 15.891 22.725 -1.065 1.00 2.15 C ATOM 2500 C ASN B 62 15.314 23.490 0.147 1.00 1.80 C ATOM 2501 O ASN B 62 14.142 23.346 0.488 1.00 3.05 O ATOM 2502 CB ASN B 62 15.000 21.576 -1.584 1.00 2.64 C ATOM 2503 CG ASN B 62 15.618 20.935 -2.829 1.00 2.98 C ATOM 2504 OD1 ASN B 62 16.378 19.973 -2.763 1.00 3.24 O ATOM 2505 ND2 ASN B 62 15.383 21.506 -3.991 1.00 3.32 N ATOM 0 H ASN B 62 17.074 21.177 -0.375 1.00 1.69 H new ATOM 0 HA ASN B 62 15.968 23.489 -1.839 1.00 2.15 H new ATOM 0 HB2 ASN B 62 14.876 20.824 -0.805 1.00 2.64 H new ATOM 0 HB3 ASN B 62 14.006 21.957 -1.820 1.00 2.64 H new ATOM 0 HD21 ASN B 62 15.832 21.149 -4.835 1.00 3.32 H new ATOM 0 HD22 ASN B 62 14.752 22.305 -4.048 1.00 3.32 H new ATOM 2512 N SER B 63 16.181 24.253 0.828 1.00 1.34 N ATOM 2513 CA SER B 63 16.168 24.565 2.281 1.00 1.53 C ATOM 2514 C SER B 63 14.912 25.192 2.905 1.00 1.41 C ATOM 2515 O SER B 63 14.831 25.274 4.132 1.00 2.18 O ATOM 2516 CB SER B 63 17.345 25.470 2.674 1.00 2.09 C ATOM 2517 OG SER B 63 17.215 26.787 2.166 1.00 2.78 O ATOM 0 H SER B 63 16.965 24.703 0.355 1.00 1.34 H new ATOM 0 HA SER B 63 16.223 23.555 2.686 1.00 1.53 H new ATOM 0 HB2 SER B 63 17.420 25.510 3.761 1.00 2.09 H new ATOM 0 HB3 SER B 63 18.273 25.033 2.306 1.00 2.09 H new ATOM 0 HG SER B 63 17.987 27.323 2.445 1.00 2.78 H new ATOM 2523 N ASP B 64 13.928 25.618 2.119 1.00 0.97 N ATOM 2524 CA ASP B 64 12.708 26.279 2.597 1.00 1.15 C ATOM 2525 C ASP B 64 11.452 25.836 1.839 1.00 1.30 C ATOM 2526 O ASP B 64 10.358 26.315 2.129 1.00 1.97 O ATOM 2527 CB ASP B 64 12.901 27.799 2.489 1.00 1.39 C ATOM 2528 CG ASP B 64 12.107 28.559 3.551 1.00 2.60 C ATOM 2529 OD1 ASP B 64 12.267 28.183 4.736 1.00 3.21 O ATOM 2530 OD2 ASP B 64 11.452 29.556 3.200 1.00 3.95 O ATOM 0 H ASP B 64 13.953 25.512 1.105 1.00 0.97 H new ATOM 0 HA ASP B 64 12.548 25.988 3.635 1.00 1.15 H new ATOM 0 HB2 ASP B 64 13.960 28.037 2.590 1.00 1.39 H new ATOM 0 HB3 ASP B 64 12.592 28.133 1.499 1.00 1.39 H new ATOM 2535 N GLN B 65 11.587 24.929 0.865 1.00 1.09 N ATOM 2536 CA GLN B 65 10.474 24.565 -0.009 1.00 0.98 C ATOM 2537 C GLN B 65 9.348 23.881 0.759 1.00 0.82 C ATOM 2538 O GLN B 65 9.641 23.057 1.623 1.00 0.90 O ATOM 2539 CB GLN B 65 10.968 23.589 -1.076 1.00 1.24 C ATOM 2540 CG GLN B 65 11.646 24.272 -2.268 1.00 1.66 C ATOM 2541 CD GLN B 65 12.078 23.248 -3.311 1.00 2.49 C ATOM 2542 OE1 GLN B 65 13.196 23.272 -3.795 1.00 2.85 O ATOM 2543 NE2 GLN B 65 11.239 22.298 -3.672 1.00 3.58 N ATOM 0 H GLN B 65 12.457 24.436 0.665 1.00 1.09 H new ATOM 0 HA GLN B 65 10.093 25.485 -0.452 1.00 0.98 H new ATOM 0 HB2 GLN B 65 11.671 22.891 -0.620 1.00 1.24 H new ATOM 0 HB3 GLN B 65 10.124 23.001 -1.437 1.00 1.24 H new ATOM 0 HG2 GLN B 65 10.960 24.989 -2.719 1.00 1.66 H new ATOM 0 HG3 GLN B 65 12.514 24.834 -1.924 1.00 1.66 H new ATOM 0 HE21 GLN B 65 10.301 22.268 -3.273 1.00 3.58 H new ATOM 0 HE22 GLN B 65 11.528 21.593 -4.350 1.00 3.58 H new ATOM 2552 N GLU B 66 8.088 24.136 0.377 1.00 0.98 N ATOM 2553 CA GLU B 66 7.020 23.181 0.660 1.00 0.90 C ATOM 2554 C GLU B 66 7.297 21.854 -0.052 1.00 0.91 C ATOM 2555 O GLU B 66 7.760 21.827 -1.200 1.00 1.21 O ATOM 2556 CB GLU B 66 5.617 23.675 0.276 1.00 1.05 C ATOM 2557 CG GLU B 66 5.067 24.755 1.217 1.00 1.34 C ATOM 2558 CD GLU B 66 3.543 24.807 1.127 1.00 2.16 C ATOM 2559 OE1 GLU B 66 3.030 25.496 0.218 1.00 2.45 O ATOM 2560 OE2 GLU B 66 2.893 24.114 1.951 1.00 3.33 O ATOM 0 H GLU B 66 7.793 24.978 -0.118 1.00 0.98 H new ATOM 0 HA GLU B 66 7.021 23.051 1.742 1.00 0.90 H new ATOM 0 HB2 GLU B 66 5.645 24.070 -0.740 1.00 1.05 H new ATOM 0 HB3 GLU B 66 4.932 22.827 0.269 1.00 1.05 H new ATOM 0 HG2 GLU B 66 5.371 24.544 2.242 1.00 1.34 H new ATOM 0 HG3 GLU B 66 5.487 25.726 0.954 1.00 1.34 H new ATOM 2567 N ILE B 67 7.013 20.758 0.646 1.00 0.72 N ATOM 2568 CA ILE B 67 7.279 19.372 0.248 1.00 0.71 C ATOM 2569 C ILE B 67 6.042 18.516 0.533 1.00 0.65 C ATOM 2570 O ILE B 67 5.343 18.765 1.513 1.00 0.71 O ATOM 2571 CB ILE B 67 8.539 18.884 1.008 1.00 0.96 C ATOM 2572 CG1 ILE B 67 9.783 19.512 0.336 1.00 1.83 C ATOM 2573 CG2 ILE B 67 8.621 17.352 1.028 1.00 1.48 C ATOM 2574 CD1 ILE B 67 11.100 19.233 1.057 1.00 2.25 C ATOM 0 H ILE B 67 6.564 20.813 1.560 1.00 0.72 H new ATOM 0 HA ILE B 67 7.478 19.292 -0.821 1.00 0.71 H new ATOM 0 HB ILE B 67 8.488 19.201 2.050 1.00 0.96 H new ATOM 0 HG12 ILE B 67 9.856 19.138 -0.685 1.00 1.83 H new ATOM 0 HG13 ILE B 67 9.640 20.591 0.271 1.00 1.83 H new ATOM 0 HG21 ILE B 67 9.516 17.043 1.568 1.00 1.48 H new ATOM 0 HG22 ILE B 67 7.739 16.947 1.524 1.00 1.48 H new ATOM 0 HG23 ILE B 67 8.667 16.977 0.006 1.00 1.48 H new ATOM 0 HD11 ILE B 67 11.918 19.710 0.518 1.00 2.25 H new ATOM 0 HD12 ILE B 67 11.052 19.632 2.070 1.00 2.25 H new ATOM 0 HD13 ILE B 67 11.271 18.157 1.098 1.00 2.25 H new ATOM 2586 N ASP B 68 5.798 17.514 -0.316 1.00 0.74 N ATOM 2587 CA ASP B 68 4.648 16.601 -0.256 1.00 0.86 C ATOM 2588 C ASP B 68 4.905 15.324 0.560 1.00 0.85 C ATOM 2589 O ASP B 68 6.028 14.808 0.665 1.00 1.09 O ATOM 2590 CB ASP B 68 4.200 16.238 -1.691 1.00 1.09 C ATOM 2591 CG ASP B 68 3.031 15.234 -1.738 1.00 1.24 C ATOM 2592 OD1 ASP B 68 1.902 15.620 -1.373 1.00 2.84 O ATOM 2593 OD2 ASP B 68 3.287 14.048 -2.071 1.00 1.72 O ATOM 0 H ASP B 68 6.421 17.306 -1.097 1.00 0.74 H new ATOM 0 HA ASP B 68 3.856 17.134 0.270 1.00 0.86 H new ATOM 0 HB2 ASP B 68 3.906 17.149 -2.212 1.00 1.09 H new ATOM 0 HB3 ASP B 68 5.049 15.820 -2.233 1.00 1.09 H new ATOM 2598 N PHE B 69 3.800 14.756 1.045 1.00 0.73 N ATOM 2599 CA PHE B 69 3.689 13.477 1.730 1.00 0.70 C ATOM 2600 C PHE B 69 4.459 12.322 1.046 1.00 0.65 C ATOM 2601 O PHE B 69 4.847 11.373 1.726 1.00 0.66 O ATOM 2602 CB PHE B 69 2.189 13.153 1.876 1.00 0.77 C ATOM 2603 CG PHE B 69 1.799 12.587 3.228 1.00 1.33 C ATOM 2604 CD1 PHE B 69 1.986 11.223 3.523 1.00 2.61 C ATOM 2605 CD2 PHE B 69 1.233 13.435 4.199 1.00 2.36 C ATOM 2606 CE1 PHE B 69 1.571 10.697 4.758 1.00 3.48 C ATOM 2607 CE2 PHE B 69 0.843 12.915 5.445 1.00 3.23 C ATOM 2608 CZ PHE B 69 1.009 11.548 5.724 1.00 3.46 C ATOM 0 H PHE B 69 2.894 15.217 0.960 1.00 0.73 H new ATOM 0 HA PHE B 69 4.165 13.570 2.706 1.00 0.70 H new ATOM 0 HB2 PHE B 69 1.614 14.062 1.697 1.00 0.77 H new ATOM 0 HB3 PHE B 69 1.907 12.439 1.102 1.00 0.77 H new ATOM 0 HD1 PHE B 69 2.452 10.576 2.794 1.00 2.61 H new ATOM 0 HD2 PHE B 69 1.099 14.485 3.986 1.00 2.36 H new ATOM 0 HE1 PHE B 69 1.684 9.643 4.964 1.00 3.48 H new ATOM 0 HE2 PHE B 69 0.414 13.568 6.191 1.00 3.23 H new ATOM 0 HZ PHE B 69 0.704 11.151 6.681 1.00 3.46 H new ATOM 2618 N LYS B 70 4.739 12.369 -0.266 1.00 0.65 N ATOM 2619 CA LYS B 70 5.603 11.411 -0.965 1.00 0.70 C ATOM 2620 C LYS B 70 7.024 11.468 -0.422 1.00 0.63 C ATOM 2621 O LYS B 70 7.526 10.449 0.058 1.00 0.66 O ATOM 2622 CB LYS B 70 5.633 11.728 -2.476 1.00 0.93 C ATOM 2623 CG LYS B 70 4.944 10.702 -3.371 1.00 1.12 C ATOM 2624 CD LYS B 70 3.453 10.560 -3.046 1.00 2.39 C ATOM 2625 CE LYS B 70 2.643 10.236 -4.303 1.00 3.39 C ATOM 2626 NZ LYS B 70 3.116 9.001 -4.985 1.00 4.64 N ATOM 0 H LYS B 70 4.362 13.090 -0.881 1.00 0.65 H new ATOM 0 HA LYS B 70 5.197 10.412 -0.803 1.00 0.70 H new ATOM 0 HB2 LYS B 70 5.164 12.699 -2.636 1.00 0.93 H new ATOM 0 HB3 LYS B 70 6.673 11.820 -2.791 1.00 0.93 H new ATOM 0 HG2 LYS B 70 5.061 10.996 -4.414 1.00 1.12 H new ATOM 0 HG3 LYS B 70 5.433 9.735 -3.256 1.00 1.12 H new ATOM 0 HD2 LYS B 70 3.312 9.772 -2.306 1.00 2.39 H new ATOM 0 HD3 LYS B 70 3.085 11.484 -2.601 1.00 2.39 H new ATOM 0 HE2 LYS B 70 1.593 10.119 -4.034 1.00 3.39 H new ATOM 0 HE3 LYS B 70 2.703 11.075 -4.996 1.00 3.39 H new ATOM 0 HZ1 LYS B 70 2.483 8.779 -5.780 1.00 4.64 H new ATOM 0 HZ2 LYS B 70 4.081 9.150 -5.342 1.00 4.64 H new ATOM 0 HZ3 LYS B 70 3.114 8.210 -4.310 1.00 4.64 H new ATOM 2640 N GLU B 71 7.650 12.645 -0.508 1.00 0.63 N ATOM 2641 CA GLU B 71 9.047 12.824 -0.129 1.00 0.62 C ATOM 2642 C GLU B 71 9.220 12.554 1.369 1.00 0.61 C ATOM 2643 O GLU B 71 10.235 12.029 1.801 1.00 0.73 O ATOM 2644 CB GLU B 71 9.571 14.219 -0.498 1.00 0.78 C ATOM 2645 CG GLU B 71 9.296 14.622 -1.953 1.00 0.83 C ATOM 2646 CD GLU B 71 10.283 15.682 -2.452 1.00 1.44 C ATOM 2647 OE1 GLU B 71 10.213 16.818 -1.927 1.00 2.52 O ATOM 2648 OE2 GLU B 71 11.082 15.347 -3.356 1.00 2.23 O ATOM 0 H GLU B 71 7.200 13.497 -0.842 1.00 0.63 H new ATOM 0 HA GLU B 71 9.641 12.105 -0.693 1.00 0.62 H new ATOM 0 HB2 GLU B 71 9.115 14.955 0.165 1.00 0.78 H new ATOM 0 HB3 GLU B 71 10.646 14.252 -0.319 1.00 0.78 H new ATOM 0 HG2 GLU B 71 9.358 13.740 -2.591 1.00 0.83 H new ATOM 0 HG3 GLU B 71 8.279 15.006 -2.037 1.00 0.83 H new ATOM 2655 N TYR B 72 8.175 12.807 2.153 1.00 0.57 N ATOM 2656 CA TYR B 72 8.111 12.469 3.575 1.00 0.55 C ATOM 2657 C TYR B 72 8.038 10.945 3.820 1.00 0.55 C ATOM 2658 O TYR B 72 8.858 10.386 4.550 1.00 0.56 O ATOM 2659 CB TYR B 72 6.910 13.218 4.161 1.00 0.57 C ATOM 2660 CG TYR B 72 6.337 12.617 5.425 1.00 0.55 C ATOM 2661 CD1 TYR B 72 7.066 12.678 6.622 1.00 1.65 C ATOM 2662 CD2 TYR B 72 5.088 11.969 5.391 1.00 1.56 C ATOM 2663 CE1 TYR B 72 6.529 12.128 7.796 1.00 1.63 C ATOM 2664 CE2 TYR B 72 4.556 11.402 6.562 1.00 1.70 C ATOM 2665 CZ TYR B 72 5.268 11.493 7.776 1.00 0.85 C ATOM 2666 OH TYR B 72 4.721 10.992 8.912 1.00 1.11 O ATOM 0 H TYR B 72 7.329 13.263 1.811 1.00 0.57 H new ATOM 0 HA TYR B 72 9.028 12.779 4.077 1.00 0.55 H new ATOM 0 HB2 TYR B 72 7.208 14.246 4.368 1.00 0.57 H new ATOM 0 HB3 TYR B 72 6.124 13.259 3.407 1.00 0.57 H new ATOM 0 HD1 TYR B 72 8.039 13.147 6.640 1.00 1.65 H new ATOM 0 HD2 TYR B 72 4.538 11.907 4.464 1.00 1.56 H new ATOM 0 HE1 TYR B 72 7.084 12.191 8.721 1.00 1.63 H new ATOM 0 HE2 TYR B 72 3.602 10.897 6.532 1.00 1.70 H new ATOM 0 HH TYR B 72 5.273 11.246 9.681 1.00 1.11 H new ATOM 2676 N SER B 73 7.068 10.259 3.213 1.00 0.58 N ATOM 2677 CA SER B 73 6.831 8.824 3.420 1.00 0.67 C ATOM 2678 C SER B 73 7.990 7.966 2.900 1.00 0.68 C ATOM 2679 O SER B 73 8.343 6.978 3.556 1.00 0.71 O ATOM 2680 CB SER B 73 5.504 8.395 2.773 1.00 0.77 C ATOM 2681 OG SER B 73 5.455 8.760 1.410 1.00 1.40 O ATOM 0 H SER B 73 6.416 10.687 2.556 1.00 0.58 H new ATOM 0 HA SER B 73 6.766 8.659 4.496 1.00 0.67 H new ATOM 0 HB2 SER B 73 5.384 7.316 2.867 1.00 0.77 H new ATOM 0 HB3 SER B 73 4.672 8.856 3.305 1.00 0.77 H new ATOM 0 HG SER B 73 5.206 9.705 1.333 1.00 1.40 H new ATOM 2687 N VAL B 74 8.632 8.353 1.787 1.00 0.68 N ATOM 2688 CA VAL B 74 9.854 7.683 1.316 1.00 0.73 C ATOM 2689 C VAL B 74 11.078 8.002 2.170 1.00 0.68 C ATOM 2690 O VAL B 74 11.918 7.126 2.303 1.00 0.71 O ATOM 2691 CB VAL B 74 10.200 7.928 -0.168 1.00 0.77 C ATOM 2692 CG1 VAL B 74 9.034 7.517 -1.062 1.00 0.86 C ATOM 2693 CG2 VAL B 74 10.678 9.348 -0.491 1.00 0.71 C ATOM 0 H VAL B 74 8.325 9.126 1.197 1.00 0.68 H new ATOM 0 HA VAL B 74 9.603 6.627 1.421 1.00 0.73 H new ATOM 0 HB VAL B 74 11.061 7.294 -0.378 1.00 0.77 H new ATOM 0 HG11 VAL B 74 9.295 7.696 -2.105 1.00 0.86 H new ATOM 0 HG12 VAL B 74 8.821 6.458 -0.918 1.00 0.86 H new ATOM 0 HG13 VAL B 74 8.152 8.103 -0.802 1.00 0.86 H new ATOM 0 HG21 VAL B 74 10.897 9.425 -1.556 1.00 0.71 H new ATOM 0 HG22 VAL B 74 9.898 10.063 -0.229 1.00 0.71 H new ATOM 0 HG23 VAL B 74 11.579 9.568 0.082 1.00 0.71 H new ATOM 2703 N PHE B 75 11.196 9.187 2.777 1.00 0.63 N ATOM 2704 CA PHE B 75 12.326 9.519 3.659 1.00 0.59 C ATOM 2705 C PHE B 75 12.271 8.712 4.958 1.00 0.63 C ATOM 2706 O PHE B 75 13.297 8.165 5.350 1.00 0.66 O ATOM 2707 CB PHE B 75 12.333 11.026 3.922 1.00 0.57 C ATOM 2708 CG PHE B 75 13.600 11.594 4.529 1.00 0.53 C ATOM 2709 CD1 PHE B 75 13.955 11.336 5.864 1.00 1.77 C ATOM 2710 CD2 PHE B 75 14.397 12.456 3.753 1.00 1.61 C ATOM 2711 CE1 PHE B 75 15.081 11.958 6.429 1.00 1.74 C ATOM 2712 CE2 PHE B 75 15.510 13.091 4.321 1.00 1.65 C ATOM 2713 CZ PHE B 75 15.850 12.847 5.659 1.00 0.59 C ATOM 0 H PHE B 75 10.517 9.941 2.674 1.00 0.63 H new ATOM 0 HA PHE B 75 13.260 9.248 3.167 1.00 0.59 H new ATOM 0 HB2 PHE B 75 12.145 11.539 2.979 1.00 0.57 H new ATOM 0 HB3 PHE B 75 11.500 11.262 4.585 1.00 0.57 H new ATOM 0 HD1 PHE B 75 13.360 10.657 6.458 1.00 1.77 H new ATOM 0 HD2 PHE B 75 14.150 12.629 2.716 1.00 1.61 H new ATOM 0 HE1 PHE B 75 15.355 11.753 7.453 1.00 1.74 H new ATOM 0 HE2 PHE B 75 16.106 13.769 3.728 1.00 1.65 H new ATOM 0 HZ PHE B 75 16.703 13.342 6.098 1.00 0.59 H new ATOM 2723 N LEU B 76 11.094 8.555 5.589 1.00 0.65 N ATOM 2724 CA LEU B 76 10.928 7.682 6.767 1.00 0.70 C ATOM 2725 C LEU B 76 11.250 6.222 6.437 1.00 0.75 C ATOM 2726 O LEU B 76 12.001 5.571 7.163 1.00 0.78 O ATOM 2727 CB LEU B 76 9.488 7.788 7.308 1.00 0.75 C ATOM 2728 CG LEU B 76 9.159 9.102 8.041 1.00 0.70 C ATOM 2729 CD1 LEU B 76 7.684 9.060 8.449 1.00 1.13 C ATOM 2730 CD2 LEU B 76 10.030 9.289 9.289 1.00 1.17 C ATOM 0 H LEU B 76 10.236 9.025 5.300 1.00 0.65 H new ATOM 0 HA LEU B 76 11.631 8.019 7.529 1.00 0.70 H new ATOM 0 HB2 LEU B 76 8.794 7.671 6.475 1.00 0.75 H new ATOM 0 HB3 LEU B 76 9.311 6.956 7.989 1.00 0.75 H new ATOM 0 HG LEU B 76 9.360 9.940 7.373 1.00 0.70 H new ATOM 0 HD11 LEU B 76 7.425 9.981 8.971 1.00 1.13 H new ATOM 0 HD12 LEU B 76 7.063 8.960 7.559 1.00 1.13 H new ATOM 0 HD13 LEU B 76 7.513 8.209 9.108 1.00 1.13 H new ATOM 0 HD21 LEU B 76 9.768 10.227 9.778 1.00 1.17 H new ATOM 0 HD22 LEU B 76 9.862 8.461 9.978 1.00 1.17 H new ATOM 0 HD23 LEU B 76 11.081 9.312 8.999 1.00 1.17 H new ATOM 2742 N THR B 77 10.719 5.738 5.309 1.00 0.77 N ATOM 2743 CA THR B 77 10.982 4.407 4.746 1.00 0.77 C ATOM 2744 C THR B 77 12.469 4.201 4.487 1.00 0.79 C ATOM 2745 O THR B 77 13.041 3.207 4.918 1.00 0.83 O ATOM 2746 CB THR B 77 10.145 4.253 3.471 1.00 0.78 C ATOM 2747 OG1 THR B 77 8.800 4.202 3.871 1.00 0.82 O ATOM 2748 CG2 THR B 77 10.483 3.009 2.658 1.00 0.78 C ATOM 0 H THR B 77 10.070 6.282 4.741 1.00 0.77 H new ATOM 0 HA THR B 77 10.693 3.635 5.459 1.00 0.77 H new ATOM 0 HB THR B 77 10.358 5.098 2.816 1.00 0.78 H new ATOM 0 HG1 THR B 77 8.415 5.103 3.840 1.00 0.82 H new ATOM 0 HG21 THR B 77 9.849 2.970 1.772 1.00 0.78 H new ATOM 0 HG22 THR B 77 11.529 3.046 2.355 1.00 0.78 H new ATOM 0 HG23 THR B 77 10.312 2.120 3.265 1.00 0.78 H new ATOM 2756 N MET B 78 13.114 5.165 3.839 1.00 0.78 N ATOM 2757 CA MET B 78 14.538 5.152 3.506 1.00 0.76 C ATOM 2758 C MET B 78 15.424 5.214 4.756 1.00 0.78 C ATOM 2759 O MET B 78 16.430 4.515 4.820 1.00 0.86 O ATOM 2760 CB MET B 78 14.788 6.307 2.533 1.00 0.67 C ATOM 2761 CG MET B 78 16.206 6.347 1.983 1.00 0.85 C ATOM 2762 SD MET B 78 16.368 7.173 0.376 1.00 1.08 S ATOM 2763 CE MET B 78 15.421 8.694 0.670 1.00 1.05 C ATOM 0 H MET B 78 12.643 6.011 3.518 1.00 0.78 H new ATOM 0 HA MET B 78 14.810 4.211 3.029 1.00 0.76 H new ATOM 0 HB2 MET B 78 14.087 6.228 1.702 1.00 0.67 H new ATOM 0 HB3 MET B 78 14.577 7.249 3.039 1.00 0.67 H new ATOM 0 HG2 MET B 78 16.847 6.854 2.704 1.00 0.85 H new ATOM 0 HG3 MET B 78 16.575 5.326 1.891 1.00 0.85 H new ATOM 0 HE1 MET B 78 15.657 9.425 -0.104 1.00 1.05 H new ATOM 0 HE2 MET B 78 14.355 8.469 0.644 1.00 1.05 H new ATOM 0 HE3 MET B 78 15.682 9.102 1.646 1.00 1.05 H new ATOM 2773 N LEU B 79 15.020 5.964 5.789 1.00 0.75 N ATOM 2774 CA LEU B 79 15.646 5.931 7.111 1.00 0.78 C ATOM 2775 C LEU B 79 15.509 4.538 7.743 1.00 0.75 C ATOM 2776 O LEU B 79 16.511 3.980 8.181 1.00 0.78 O ATOM 2777 CB LEU B 79 15.029 7.022 8.016 1.00 0.85 C ATOM 2778 CG LEU B 79 15.963 7.658 9.064 1.00 1.03 C ATOM 2779 CD1 LEU B 79 16.814 6.652 9.857 1.00 1.82 C ATOM 2780 CD2 LEU B 79 16.885 8.694 8.412 1.00 1.93 C ATOM 0 H LEU B 79 14.240 6.618 5.726 1.00 0.75 H new ATOM 0 HA LEU B 79 16.711 6.139 7.003 1.00 0.78 H new ATOM 0 HB2 LEU B 79 14.643 7.816 7.377 1.00 0.85 H new ATOM 0 HB3 LEU B 79 14.176 6.589 8.538 1.00 0.85 H new ATOM 0 HG LEU B 79 15.295 8.134 9.782 1.00 1.03 H new ATOM 0 HD11 LEU B 79 17.440 7.188 10.571 1.00 1.82 H new ATOM 0 HD12 LEU B 79 16.160 5.965 10.393 1.00 1.82 H new ATOM 0 HD13 LEU B 79 17.447 6.090 9.170 1.00 1.82 H new ATOM 0 HD21 LEU B 79 17.536 9.130 9.170 1.00 1.93 H new ATOM 0 HD22 LEU B 79 17.493 8.210 7.647 1.00 1.93 H new ATOM 0 HD23 LEU B 79 16.284 9.479 7.954 1.00 1.93 H new ATOM 2792 N CYS B 80 14.299 3.966 7.755 1.00 0.75 N ATOM 2793 CA CYS B 80 14.007 2.639 8.308 1.00 0.77 C ATOM 2794 C CYS B 80 14.842 1.536 7.637 1.00 0.81 C ATOM 2795 O CYS B 80 15.484 0.735 8.318 1.00 0.91 O ATOM 2796 CB CYS B 80 12.490 2.414 8.191 1.00 0.79 C ATOM 2797 SG CYS B 80 12.020 0.885 9.035 1.00 0.91 S ATOM 0 H CYS B 80 13.474 4.426 7.370 1.00 0.75 H new ATOM 0 HA CYS B 80 14.295 2.591 9.358 1.00 0.77 H new ATOM 0 HB2 CYS B 80 11.955 3.258 8.626 1.00 0.79 H new ATOM 0 HB3 CYS B 80 12.202 2.362 7.141 1.00 0.79 H new ATOM 0 HG CYS B 80 10.736 0.708 8.930 1.00 0.91 H new ATOM 2803 N MET B 81 14.907 1.551 6.302 1.00 0.81 N ATOM 2804 CA MET B 81 15.726 0.648 5.489 1.00 0.87 C ATOM 2805 C MET B 81 17.214 0.856 5.765 1.00 0.89 C ATOM 2806 O MET B 81 17.957 -0.120 5.850 1.00 1.08 O ATOM 2807 CB MET B 81 15.436 0.881 3.998 1.00 1.02 C ATOM 2808 CG MET B 81 14.081 0.306 3.560 1.00 1.98 C ATOM 2809 SD MET B 81 13.840 -1.483 3.765 1.00 3.52 S ATOM 2810 CE MET B 81 15.377 -2.131 3.061 1.00 3.44 C ATOM 0 H MET B 81 14.373 2.214 5.740 1.00 0.81 H new ATOM 0 HA MET B 81 15.469 -0.377 5.755 1.00 0.87 H new ATOM 0 HB2 MET B 81 15.456 1.951 3.791 1.00 1.02 H new ATOM 0 HB3 MET B 81 16.228 0.427 3.403 1.00 1.02 H new ATOM 0 HG2 MET B 81 13.298 0.820 4.119 1.00 1.98 H new ATOM 0 HG3 MET B 81 13.934 0.549 2.508 1.00 1.98 H new ATOM 0 HE1 MET B 81 15.307 -3.215 2.970 1.00 3.44 H new ATOM 0 HE2 MET B 81 15.538 -1.694 2.076 1.00 3.44 H new ATOM 0 HE3 MET B 81 16.212 -1.875 3.713 1.00 3.44 H new ATOM 2820 N ALA B 82 17.642 2.107 5.984 1.00 0.85 N ATOM 2821 CA ALA B 82 19.015 2.470 6.337 1.00 0.94 C ATOM 2822 C ALA B 82 19.477 2.017 7.744 1.00 1.02 C ATOM 2823 O ALA B 82 20.549 2.441 8.186 1.00 1.37 O ATOM 2824 CB ALA B 82 19.230 3.970 6.078 1.00 1.03 C ATOM 0 H ALA B 82 17.023 2.915 5.918 1.00 0.85 H new ATOM 0 HA ALA B 82 19.672 1.898 5.682 1.00 0.94 H new ATOM 0 HB1 ALA B 82 20.252 4.242 6.341 1.00 1.03 H new ATOM 0 HB2 ALA B 82 19.057 4.186 5.024 1.00 1.03 H new ATOM 0 HB3 ALA B 82 18.534 4.548 6.686 1.00 1.03 H new ATOM 2830 N TYR B 83 18.700 1.175 8.436 1.00 0.91 N ATOM 2831 CA TYR B 83 19.133 0.389 9.600 1.00 1.00 C ATOM 2832 C TYR B 83 18.485 -1.015 9.686 1.00 1.16 C ATOM 2833 O TYR B 83 18.639 -1.685 10.703 1.00 1.52 O ATOM 2834 CB TYR B 83 18.939 1.201 10.888 1.00 1.05 C ATOM 2835 CG TYR B 83 17.509 1.534 11.281 1.00 1.17 C ATOM 2836 CD1 TYR B 83 16.725 0.597 11.985 1.00 2.63 C ATOM 2837 CD2 TYR B 83 16.984 2.809 11.003 1.00 1.86 C ATOM 2838 CE1 TYR B 83 15.418 0.923 12.387 1.00 3.01 C ATOM 2839 CE2 TYR B 83 15.683 3.146 11.416 1.00 1.83 C ATOM 2840 CZ TYR B 83 14.893 2.200 12.105 1.00 1.83 C ATOM 2841 OH TYR B 83 13.638 2.515 12.526 1.00 2.25 O ATOM 0 H TYR B 83 17.722 1.016 8.195 1.00 0.91 H new ATOM 0 HA TYR B 83 20.197 0.190 9.470 1.00 1.00 H new ATOM 0 HB2 TYR B 83 19.397 0.650 11.709 1.00 1.05 H new ATOM 0 HB3 TYR B 83 19.489 2.136 10.786 1.00 1.05 H new ATOM 0 HD1 TYR B 83 17.131 -0.377 12.217 1.00 2.63 H new ATOM 0 HD2 TYR B 83 17.583 3.532 10.470 1.00 1.86 H new ATOM 0 HE1 TYR B 83 14.817 0.195 12.912 1.00 3.01 H new ATOM 0 HE2 TYR B 83 15.288 4.129 11.206 1.00 1.83 H new ATOM 0 HH TYR B 83 13.422 3.432 12.255 1.00 2.25 H new ATOM 2851 N ASN B 84 17.777 -1.463 8.639 1.00 1.29 N ATOM 2852 CA ASN B 84 17.130 -2.781 8.580 1.00 1.63 C ATOM 2853 C ASN B 84 17.833 -3.723 7.586 1.00 2.01 C ATOM 2854 O ASN B 84 17.293 -4.079 6.535 1.00 2.37 O ATOM 2855 CB ASN B 84 15.618 -2.643 8.309 1.00 1.61 C ATOM 2856 CG ASN B 84 14.823 -2.541 9.599 1.00 2.09 C ATOM 2857 OD1 ASN B 84 14.392 -3.541 10.159 1.00 2.96 O ATOM 2858 ND2 ASN B 84 14.608 -1.343 10.099 1.00 2.77 N ATOM 0 H ASN B 84 17.636 -0.909 7.794 1.00 1.29 H new ATOM 0 HA ASN B 84 17.234 -3.250 9.558 1.00 1.63 H new ATOM 0 HB2 ASN B 84 15.437 -1.758 7.699 1.00 1.61 H new ATOM 0 HB3 ASN B 84 15.271 -3.502 7.735 1.00 1.61 H new ATOM 0 HD21 ASN B 84 14.077 -1.239 10.963 1.00 2.77 H new ATOM 0 HD22 ASN B 84 14.973 -0.518 9.622 1.00 2.77 H new ATOM 2865 N ASP B 85 19.019 -4.201 7.966 1.00 2.38 N ATOM 2866 CA ASP B 85 19.517 -5.513 7.556 1.00 2.62 C ATOM 2867 C ASP B 85 18.794 -6.629 8.338 1.00 2.58 C ATOM 2868 O ASP B 85 18.545 -7.691 7.782 1.00 2.81 O ATOM 2869 CB ASP B 85 21.044 -5.575 7.752 1.00 3.34 C ATOM 2870 CG ASP B 85 21.501 -5.442 9.211 1.00 3.44 C ATOM 2871 OD1 ASP B 85 20.986 -4.526 9.897 1.00 3.61 O ATOM 2872 OD2 ASP B 85 22.369 -6.241 9.620 1.00 4.47 O ATOM 0 H ASP B 85 19.662 -3.687 8.568 1.00 2.38 H new ATOM 0 HA ASP B 85 19.307 -5.668 6.498 1.00 2.62 H new ATOM 0 HB2 ASP B 85 21.411 -6.521 7.354 1.00 3.34 H new ATOM 0 HB3 ASP B 85 21.506 -4.781 7.165 1.00 3.34 H new