USER MOD reduce.3.24.130724 H: found=0, std=0, add=1373, rem=0, adj=73 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 -170:sc= 0.332 USER MOD Set 1.2: B 84 ASN : amide:sc= 0.157 K(o=0.49,f=-3.1!) USER MOD Set 2.1: B 61 LYS NZ :NH3+ -141:sc= 0.948 (180deg=0.979) USER MOD Set 2.2: B 62 ASN : amide:sc= 1.73 K(o=3.5,f=-3.8) USER MOD Set 2.3: B 65 GLN : amide:sc= 0.811 K(o=3.5,f=-4) USER MOD Set 3.1: B 32 LYS NZ :NH3+ -127:sc= 2.03 (180deg=-1.38) USER MOD Set 3.2: B 63 SER OG : rot -60:sc= 1.97 USER MOD Set 4.1: B 39 LYS NZ :NH3+ 145:sc= 1.29 (180deg=-0.552) USER MOD Set 4.2: B 56 MET CE :methyl -130:sc= -0.469 (180deg=-2.04) USER MOD Set 5.1: B 15 THR OG1 : rot 115:sc= 1 USER MOD Set 5.2: B 72 TYR OH : rot -4:sc= 0.695 USER MOD Set 6.1: A 80 CYS SG : rot 24:sc= 1.35 USER MOD Set 6.2: A 83 TYR OH : rot -57:sc=0.000911 USER MOD Set 6.3: A 84 ASN : amide:sc= 0.445 K(o=1.8,f=-0.084) USER MOD Set 7.1: A 77 THR OG1 : rot 96:sc= 1.1 USER MOD Set 7.2: B 73 SER OG : rot 1:sc= 0.219 USER MOD Set 8.1: A 73 SER OG : rot -173:sc= 0.582 USER MOD Set 8.2: B 77 THR OG1 : rot 76:sc= 1.82 USER MOD Set 9.1: A 58 SER OG : rot 180:sc= 0.438 USER MOD Set 9.2: A 61 LYS NZ :NH3+ -176:sc= 0.436 (180deg=0.0705) USER MOD Set10.1: A 17 HIS : no HE2:sc= 0.755 K(o=2,f=-11!) USER MOD Set10.2: A 26 LYS NZ :NH3+ -158:sc= 1.21 (180deg=-0.265) USER MOD Set11.1: A 19 TYR OH : rot -19:sc= 1.5 USER MOD Set11.2: A 40 LYS NZ :NH3+ -158:sc= 0.213 (180deg=0) USER MOD Set12.1: A 12 MET CE :methyl -162:sc= -0.232 (180deg=-1.25) USER MOD Set12.2: B 12 MET CE :methyl -99:sc=-0.00468 (180deg=-0.753) USER MOD Single : A 3 THR OG1 : rot 98:sc= 1.01 USER MOD Single : A 7 LYS NZ :NH3+ -162:sc= 0.719 (180deg=0.337) USER MOD Single : A 10 THR OG1 : rot 27:sc= 1.26 USER MOD Single : A 11 THR OG1 : rot 96:sc= 1.28 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 99:sc= 1.24 USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= 0.679 (180deg=0.52) USER MOD Single : A 20 SER OG : rot -87:sc= 1.27 USER MOD Single : A 25 SER OG : rot 170:sc= 0.148 USER MOD Single : A 28 THR OG1 : rot 121:sc= 1.26 USER MOD Single : A 30 SER OG : rot 180:sc=0.000898 USER MOD Single : A 32 LYS NZ :NH3+ -152:sc= 2.32 (180deg=1.4) USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= 2.02 (180deg=1.49) USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= 2.19 (180deg=1.69) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -148:sc= 1.81 (180deg=0.519) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 153:sc= -1.11 (180deg=-2.09!) USER MOD Single : A 57 LYS NZ :NH3+ 173:sc= 1.51 (180deg=1.44) USER MOD Single : A 62 ASN : amide:sc= -0.0292 X(o=-0.029,f=-0.22) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0332 K(o=-0.033,f=-1.3) USER MOD Single : A 70 LYS NZ :NH3+ -155:sc= 1.65 (180deg=-0.285) USER MOD Single : A 72 TYR OH : rot 173:sc= 0.451 USER MOD Single : A 78 MET CE :methyl 168:sc= 0 (180deg=-0.213) USER MOD Single : A 81 MET CE :methyl -153:sc= -0.348 (180deg=-1.47!) USER MOD Single : B 3 THR OG1 : rot 80:sc= 1.09 USER MOD Single : B 7 LYS NZ :NH3+ -148:sc= 0.837 (180deg=-1.15!) USER MOD Single : B 10 THR OG1 : rot 27:sc= 1.25 USER MOD Single : B 11 THR OG1 : rot 94:sc= 1.2 USER MOD Single : B 14 THR OG1 : rot 93:sc= 1.19 USER MOD Single : B 17 HIS : no HE2:sc= -0.0157 K(o=-0.016,f=-1.9!) USER MOD Single : B 18 LYS NZ :NH3+ -148:sc= 1.28 (180deg=1.12) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot -153:sc= -0.0495 USER MOD Single : B 25 SER OG : rot 180:sc= 0.109 USER MOD Single : B 26 LYS NZ :NH3+ 166:sc= 0.909 (180deg=0.786) USER MOD Single : B 28 THR OG1 : rot 138:sc= 1.25 USER MOD Single : B 30 SER OG : rot -79:sc= 0.59 USER MOD Single : B 35 LYS NZ :NH3+ -161:sc= 1.71 (180deg=1.31) USER MOD Single : B 40 LYS NZ :NH3+ -165:sc= 1.22 (180deg=1.12) USER MOD Single : B 43 CYS SG : rot -85:sc= 1.1 USER MOD Single : B 47 MET CE :methyl -175:sc= -0.0753 (180deg=-0.121) USER MOD Single : B 48 LYS NZ :NH3+ 150:sc= 1.16 (180deg=0.345) USER MOD Single : B 50 SER OG : rot 48:sc= 1.18 USER MOD Single : B 51 SER OG : rot -36:sc= 0.738 USER MOD Single : B 57 LYS NZ :NH3+ 179:sc= 1.28 (180deg=1.21) USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 70 LYS NZ :NH3+ 175:sc= 0.377 (180deg=0.165) USER MOD Single : B 78 MET CE :methyl 148:sc=-0.00886 (180deg=-0.316) USER MOD Single : B 81 MET CE :methyl -168:sc= -0.182 (180deg=-0.519) USER MOD Single : B 83 TYR OH : rot 180:sc=-0.00791 USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 9.544 2.810 19.993 1.00 2.11 N ATOM 18 CA GLU A 2 9.070 3.653 21.097 1.00 1.31 C ATOM 19 C GLU A 2 8.304 4.877 20.608 1.00 1.14 C ATOM 20 O GLU A 2 7.279 5.259 21.176 1.00 1.69 O ATOM 21 CB GLU A 2 10.312 4.116 21.879 1.00 2.32 C ATOM 22 CG GLU A 2 10.999 3.028 22.720 1.00 3.37 C ATOM 23 CD GLU A 2 10.972 1.632 22.092 1.00 4.00 C ATOM 24 OE1 GLU A 2 11.642 1.435 21.053 1.00 4.87 O ATOM 25 OE2 GLU A 2 10.053 0.842 22.394 1.00 4.41 O ATOM 0 HA GLU A 2 8.384 3.074 21.715 1.00 1.31 H new ATOM 0 HB2 GLU A 2 11.038 4.518 21.172 1.00 2.32 H new ATOM 0 HB3 GLU A 2 10.022 4.934 22.539 1.00 2.32 H new ATOM 0 HG2 GLU A 2 12.036 3.317 22.889 1.00 3.37 H new ATOM 0 HG3 GLU A 2 10.518 2.983 23.697 1.00 3.37 H new ATOM 32 N THR A 3 8.777 5.456 19.507 1.00 1.07 N ATOM 33 CA THR A 3 8.327 6.756 18.993 1.00 1.23 C ATOM 34 C THR A 3 7.006 6.610 18.219 1.00 1.18 C ATOM 35 O THR A 3 6.691 5.489 17.795 1.00 1.07 O ATOM 36 CB THR A 3 9.421 7.442 18.162 1.00 1.53 C ATOM 37 OG1 THR A 3 9.322 7.016 16.832 1.00 1.62 O ATOM 38 CG2 THR A 3 10.851 7.194 18.654 1.00 1.88 C ATOM 0 H THR A 3 9.501 5.027 18.931 1.00 1.07 H new ATOM 0 HA THR A 3 8.131 7.409 19.843 1.00 1.23 H new ATOM 0 HB THR A 3 9.245 8.513 18.265 1.00 1.53 H new ATOM 0 HG1 THR A 3 8.826 7.682 16.311 1.00 1.62 H new ATOM 0 HG21 THR A 3 11.554 7.717 18.006 1.00 1.88 H new ATOM 0 HG22 THR A 3 10.954 7.563 19.674 1.00 1.88 H new ATOM 0 HG23 THR A 3 11.063 6.125 18.632 1.00 1.88 H new ATOM 46 N PRO A 4 6.200 7.678 18.041 1.00 1.43 N ATOM 47 CA PRO A 4 4.862 7.550 17.475 1.00 1.47 C ATOM 48 C PRO A 4 4.874 7.291 15.966 1.00 1.29 C ATOM 49 O PRO A 4 4.179 6.378 15.531 1.00 1.24 O ATOM 50 CB PRO A 4 4.132 8.849 17.839 1.00 1.86 C ATOM 51 CG PRO A 4 5.263 9.864 17.993 1.00 1.99 C ATOM 52 CD PRO A 4 6.411 9.027 18.549 1.00 1.76 C ATOM 0 HA PRO A 4 4.351 6.679 17.885 1.00 1.47 H new ATOM 0 HB2 PRO A 4 3.430 9.146 17.060 1.00 1.86 H new ATOM 0 HB3 PRO A 4 3.560 8.743 18.761 1.00 1.86 H new ATOM 0 HG2 PRO A 4 5.525 10.323 17.040 1.00 1.99 H new ATOM 0 HG3 PRO A 4 4.989 10.672 18.671 1.00 1.99 H new ATOM 0 HD2 PRO A 4 7.375 9.421 18.225 1.00 1.76 H new ATOM 0 HD3 PRO A 4 6.412 9.039 19.639 1.00 1.76 H new ATOM 60 N LEU A 5 5.669 8.017 15.167 1.00 1.26 N ATOM 61 CA LEU A 5 5.721 7.805 13.713 1.00 1.15 C ATOM 62 C LEU A 5 6.347 6.461 13.339 1.00 1.08 C ATOM 63 O LEU A 5 5.925 5.858 12.359 1.00 1.14 O ATOM 64 CB LEU A 5 6.443 8.990 13.062 1.00 1.24 C ATOM 65 CG LEU A 5 6.625 8.951 11.537 1.00 1.36 C ATOM 66 CD1 LEU A 5 5.297 8.795 10.778 1.00 1.66 C ATOM 67 CD2 LEU A 5 7.294 10.281 11.150 1.00 2.24 C ATOM 0 H LEU A 5 6.285 8.757 15.503 1.00 1.26 H new ATOM 0 HA LEU A 5 4.702 7.759 13.328 1.00 1.15 H new ATOM 0 HB2 LEU A 5 5.896 9.898 13.313 1.00 1.24 H new ATOM 0 HB3 LEU A 5 7.429 9.076 13.518 1.00 1.24 H new ATOM 0 HG LEU A 5 7.227 8.084 11.265 1.00 1.36 H new ATOM 0 HD11 LEU A 5 5.491 8.774 9.706 1.00 1.66 H new ATOM 0 HD12 LEU A 5 4.814 7.865 11.078 1.00 1.66 H new ATOM 0 HD13 LEU A 5 4.643 9.635 11.012 1.00 1.66 H new ATOM 0 HD21 LEU A 5 7.449 10.310 10.071 1.00 2.24 H new ATOM 0 HD22 LEU A 5 6.653 11.111 11.447 1.00 2.24 H new ATOM 0 HD23 LEU A 5 8.255 10.366 11.657 1.00 2.24 H new ATOM 79 N GLU A 6 7.278 5.948 14.143 1.00 1.07 N ATOM 80 CA GLU A 6 7.843 4.616 13.941 1.00 1.18 C ATOM 81 C GLU A 6 6.746 3.544 13.998 1.00 1.15 C ATOM 82 O GLU A 6 6.798 2.590 13.230 1.00 1.22 O ATOM 83 CB GLU A 6 8.975 4.367 14.946 1.00 1.38 C ATOM 84 CG GLU A 6 9.530 2.938 14.930 1.00 1.81 C ATOM 85 CD GLU A 6 9.829 2.389 13.536 1.00 3.37 C ATOM 86 OE1 GLU A 6 10.438 3.118 12.728 1.00 4.47 O ATOM 87 OE2 GLU A 6 9.422 1.231 13.291 1.00 4.22 O ATOM 0 H GLU A 6 7.660 6.442 14.949 1.00 1.07 H new ATOM 0 HA GLU A 6 8.279 4.555 12.944 1.00 1.18 H new ATOM 0 HB2 GLU A 6 9.788 5.062 14.739 1.00 1.38 H new ATOM 0 HB3 GLU A 6 8.611 4.592 15.949 1.00 1.38 H new ATOM 0 HG2 GLU A 6 10.445 2.911 15.521 1.00 1.81 H new ATOM 0 HG3 GLU A 6 8.814 2.278 15.420 1.00 1.81 H new ATOM 94 N LYS A 7 5.674 3.697 14.788 1.00 1.10 N ATOM 95 CA LYS A 7 4.533 2.766 14.656 1.00 1.26 C ATOM 96 C LYS A 7 3.952 2.666 13.231 1.00 1.30 C ATOM 97 O LYS A 7 3.449 1.595 12.877 1.00 1.35 O ATOM 98 CB LYS A 7 3.436 3.031 15.710 1.00 1.52 C ATOM 99 CG LYS A 7 3.514 2.010 16.858 1.00 1.56 C ATOM 100 CD LYS A 7 4.738 2.224 17.756 1.00 1.97 C ATOM 101 CE LYS A 7 4.450 3.332 18.777 1.00 3.14 C ATOM 102 NZ LYS A 7 5.654 3.639 19.572 1.00 4.06 N ATOM 0 H LYS A 7 5.568 4.422 15.498 1.00 1.10 H new ATOM 0 HA LYS A 7 4.955 1.782 14.859 1.00 1.26 H new ATOM 0 HB2 LYS A 7 3.546 4.040 16.108 1.00 1.52 H new ATOM 0 HB3 LYS A 7 2.454 2.979 15.239 1.00 1.52 H new ATOM 0 HG2 LYS A 7 2.609 2.078 17.462 1.00 1.56 H new ATOM 0 HG3 LYS A 7 3.545 1.003 16.442 1.00 1.56 H new ATOM 0 HD2 LYS A 7 4.987 1.297 18.273 1.00 1.97 H new ATOM 0 HD3 LYS A 7 5.603 2.493 17.149 1.00 1.97 H new ATOM 0 HE2 LYS A 7 4.112 4.230 18.260 1.00 3.14 H new ATOM 0 HE3 LYS A 7 3.641 3.021 19.439 1.00 3.14 H new ATOM 0 HZ1 LYS A 7 5.379 4.149 20.436 1.00 4.06 H new ATOM 0 HZ2 LYS A 7 6.134 2.754 19.831 1.00 4.06 H new ATOM 0 HZ3 LYS A 7 6.299 4.231 19.011 1.00 4.06 H new ATOM 116 N ALA A 8 4.074 3.695 12.382 1.00 1.32 N ATOM 117 CA ALA A 8 3.736 3.606 10.959 1.00 1.38 C ATOM 118 C ALA A 8 4.687 2.679 10.185 1.00 1.19 C ATOM 119 O ALA A 8 4.218 1.827 9.433 1.00 1.23 O ATOM 120 CB ALA A 8 3.736 5.002 10.320 1.00 1.65 C ATOM 0 H ALA A 8 4.411 4.615 12.666 1.00 1.32 H new ATOM 0 HA ALA A 8 2.737 3.174 10.899 1.00 1.38 H new ATOM 0 HB1 ALA A 8 3.483 4.918 9.263 1.00 1.65 H new ATOM 0 HB2 ALA A 8 3.000 5.631 10.821 1.00 1.65 H new ATOM 0 HB3 ALA A 8 4.725 5.449 10.422 1.00 1.65 H new ATOM 126 N LEU A 9 6.002 2.833 10.377 1.00 1.08 N ATOM 127 CA LEU A 9 7.043 2.038 9.721 1.00 1.04 C ATOM 128 C LEU A 9 7.029 0.590 10.230 1.00 0.94 C ATOM 129 O LEU A 9 6.920 -0.309 9.392 1.00 0.89 O ATOM 130 CB LEU A 9 8.427 2.695 9.906 1.00 1.05 C ATOM 131 CG LEU A 9 8.751 3.953 9.061 1.00 1.02 C ATOM 132 CD1 LEU A 9 8.681 3.673 7.550 1.00 1.14 C ATOM 133 CD2 LEU A 9 7.873 5.163 9.415 1.00 1.08 C ATOM 0 H LEU A 9 6.381 3.535 11.012 1.00 1.08 H new ATOM 0 HA LEU A 9 6.832 2.008 8.652 1.00 1.04 H new ATOM 0 HB2 LEU A 9 8.533 2.962 10.957 1.00 1.05 H new ATOM 0 HB3 LEU A 9 9.186 1.943 9.690 1.00 1.05 H new ATOM 0 HG LEU A 9 9.779 4.210 9.318 1.00 1.02 H new ATOM 0 HD11 LEU A 9 8.916 4.584 7.000 1.00 1.14 H new ATOM 0 HD12 LEU A 9 9.401 2.897 7.290 1.00 1.14 H new ATOM 0 HD13 LEU A 9 7.677 3.339 7.288 1.00 1.14 H new ATOM 0 HD21 LEU A 9 8.151 6.010 8.788 1.00 1.08 H new ATOM 0 HD22 LEU A 9 6.825 4.914 9.246 1.00 1.08 H new ATOM 0 HD23 LEU A 9 8.019 5.424 10.463 1.00 1.08 H new ATOM 145 N THR A 10 7.008 0.363 11.560 1.00 0.95 N ATOM 146 CA THR A 10 6.736 -0.941 12.196 1.00 0.85 C ATOM 147 C THR A 10 5.511 -1.615 11.570 1.00 0.85 C ATOM 148 O THR A 10 5.618 -2.776 11.167 1.00 0.81 O ATOM 149 CB THR A 10 6.581 -0.765 13.714 1.00 0.94 C ATOM 150 OG1 THR A 10 7.838 -0.558 14.310 1.00 1.10 O ATOM 151 CG2 THR A 10 6.004 -1.997 14.418 1.00 1.13 C ATOM 0 H THR A 10 7.185 1.103 12.239 1.00 0.95 H new ATOM 0 HA THR A 10 7.585 -1.602 12.020 1.00 0.85 H new ATOM 0 HB THR A 10 5.903 0.081 13.829 1.00 0.94 H new ATOM 0 HG1 THR A 10 8.445 -0.148 13.659 1.00 1.10 H new ATOM 0 HG21 THR A 10 5.923 -1.800 15.487 1.00 1.13 H new ATOM 0 HG22 THR A 10 5.016 -2.218 14.014 1.00 1.13 H new ATOM 0 HG23 THR A 10 6.662 -2.851 14.255 1.00 1.13 H new ATOM 159 N THR A 11 4.386 -0.893 11.424 1.00 0.93 N ATOM 160 CA THR A 11 3.179 -1.415 10.751 1.00 0.99 C ATOM 161 C THR A 11 3.498 -1.813 9.320 1.00 0.96 C ATOM 162 O THR A 11 3.229 -2.953 8.955 1.00 0.95 O ATOM 163 CB THR A 11 2.002 -0.431 10.783 1.00 1.17 C ATOM 164 OG1 THR A 11 1.654 -0.188 12.123 1.00 1.23 O ATOM 165 CG2 THR A 11 0.752 -0.995 10.103 1.00 1.41 C ATOM 0 H THR A 11 4.286 0.063 11.766 1.00 0.93 H new ATOM 0 HA THR A 11 2.866 -2.296 11.311 1.00 0.99 H new ATOM 0 HB THR A 11 2.322 0.469 10.258 1.00 1.17 H new ATOM 0 HG1 THR A 11 2.088 0.635 12.430 1.00 1.23 H new ATOM 0 HG21 THR A 11 -0.052 -0.261 10.153 1.00 1.41 H new ATOM 0 HG22 THR A 11 0.975 -1.219 9.060 1.00 1.41 H new ATOM 0 HG23 THR A 11 0.441 -1.908 10.612 1.00 1.41 H new ATOM 173 N MET A 12 4.099 -0.925 8.517 1.00 0.98 N ATOM 174 CA MET A 12 4.433 -1.238 7.122 1.00 0.97 C ATOM 175 C MET A 12 5.334 -2.473 7.008 1.00 0.85 C ATOM 176 O MET A 12 5.017 -3.356 6.208 1.00 0.81 O ATOM 177 CB MET A 12 5.086 -0.043 6.406 1.00 1.12 C ATOM 178 CG MET A 12 4.113 1.105 6.146 1.00 1.18 C ATOM 179 SD MET A 12 4.830 2.477 5.200 1.00 1.54 S ATOM 180 CE MET A 12 3.341 3.456 4.883 1.00 0.84 C ATOM 0 H MET A 12 4.364 0.016 8.810 1.00 0.98 H new ATOM 0 HA MET A 12 3.487 -1.460 6.627 1.00 0.97 H new ATOM 0 HB2 MET A 12 5.918 0.323 7.008 1.00 1.12 H new ATOM 0 HB3 MET A 12 5.503 -0.380 5.457 1.00 1.12 H new ATOM 0 HG2 MET A 12 3.247 0.719 5.608 1.00 1.18 H new ATOM 0 HG3 MET A 12 3.752 1.485 7.101 1.00 1.18 H new ATOM 0 HE1 MET A 12 3.529 4.149 4.063 1.00 0.84 H new ATOM 0 HE2 MET A 12 2.519 2.792 4.616 1.00 0.84 H new ATOM 0 HE3 MET A 12 3.077 4.018 5.779 1.00 0.84 H new ATOM 190 N VAL A 13 6.426 -2.548 7.781 1.00 0.85 N ATOM 191 CA VAL A 13 7.436 -3.621 7.660 1.00 0.89 C ATOM 192 C VAL A 13 6.921 -4.983 8.158 1.00 0.93 C ATOM 193 O VAL A 13 7.161 -5.993 7.492 1.00 0.95 O ATOM 194 CB VAL A 13 8.804 -3.296 8.320 1.00 0.93 C ATOM 195 CG1 VAL A 13 9.474 -2.072 7.678 1.00 0.95 C ATOM 196 CG2 VAL A 13 8.769 -3.142 9.845 1.00 0.94 C ATOM 0 H VAL A 13 6.639 -1.868 8.511 1.00 0.85 H new ATOM 0 HA VAL A 13 7.613 -3.686 6.586 1.00 0.89 H new ATOM 0 HB VAL A 13 9.406 -4.183 8.124 1.00 0.93 H new ATOM 0 HG11 VAL A 13 10.428 -1.880 8.169 1.00 0.95 H new ATOM 0 HG12 VAL A 13 9.644 -2.264 6.619 1.00 0.95 H new ATOM 0 HG13 VAL A 13 8.827 -1.202 7.790 1.00 0.95 H new ATOM 0 HG21 VAL A 13 9.771 -2.916 10.211 1.00 0.94 H new ATOM 0 HG22 VAL A 13 8.093 -2.330 10.113 1.00 0.94 H new ATOM 0 HG23 VAL A 13 8.418 -4.070 10.296 1.00 0.94 H new ATOM 206 N THR A 14 6.165 -5.021 9.270 1.00 0.97 N ATOM 207 CA THR A 14 5.546 -6.264 9.762 1.00 1.05 C ATOM 208 C THR A 14 4.464 -6.747 8.803 1.00 0.95 C ATOM 209 O THR A 14 4.416 -7.939 8.488 1.00 1.00 O ATOM 210 CB THR A 14 5.056 -6.122 11.215 1.00 1.25 C ATOM 211 OG1 THR A 14 4.943 -7.419 11.744 1.00 2.11 O ATOM 212 CG2 THR A 14 3.697 -5.443 11.412 1.00 2.01 C ATOM 0 H THR A 14 5.968 -4.202 9.846 1.00 0.97 H new ATOM 0 HA THR A 14 6.309 -7.042 9.787 1.00 1.05 H new ATOM 0 HB THR A 14 5.786 -5.479 11.708 1.00 1.25 H new ATOM 0 HG1 THR A 14 4.633 -7.368 12.672 1.00 2.11 H new ATOM 0 HG21 THR A 14 3.462 -5.402 12.475 1.00 2.01 H new ATOM 0 HG22 THR A 14 3.734 -4.431 11.009 1.00 2.01 H new ATOM 0 HG23 THR A 14 2.927 -6.012 10.892 1.00 2.01 H new ATOM 220 N THR A 15 3.658 -5.828 8.256 1.00 0.90 N ATOM 221 CA THR A 15 2.574 -6.149 7.316 1.00 0.80 C ATOM 222 C THR A 15 3.112 -6.672 5.987 1.00 0.68 C ATOM 223 O THR A 15 2.645 -7.698 5.500 1.00 0.73 O ATOM 224 CB THR A 15 1.650 -4.943 7.117 1.00 0.89 C ATOM 225 OG1 THR A 15 1.150 -4.541 8.367 1.00 1.58 O ATOM 226 CG2 THR A 15 0.451 -5.288 6.243 1.00 1.80 C ATOM 0 H THR A 15 3.740 -4.831 8.455 1.00 0.90 H new ATOM 0 HA THR A 15 1.983 -6.953 7.755 1.00 0.80 H new ATOM 0 HB THR A 15 2.233 -4.158 6.636 1.00 0.89 H new ATOM 0 HG1 THR A 15 1.667 -3.776 8.695 1.00 1.58 H new ATOM 0 HG21 THR A 15 -0.180 -4.407 6.126 1.00 1.80 H new ATOM 0 HG22 THR A 15 0.798 -5.619 5.264 1.00 1.80 H new ATOM 0 HG23 THR A 15 -0.124 -6.086 6.713 1.00 1.80 H new ATOM 234 N PHE A 16 4.135 -6.016 5.431 1.00 0.66 N ATOM 235 CA PHE A 16 4.810 -6.416 4.192 1.00 0.62 C ATOM 236 C PHE A 16 5.557 -7.748 4.337 1.00 0.65 C ATOM 237 O PHE A 16 5.517 -8.560 3.416 1.00 0.65 O ATOM 238 CB PHE A 16 5.753 -5.260 3.797 1.00 0.69 C ATOM 239 CG PHE A 16 6.547 -5.362 2.502 1.00 0.70 C ATOM 240 CD1 PHE A 16 7.803 -5.999 2.490 1.00 1.68 C ATOM 241 CD2 PHE A 16 6.101 -4.704 1.336 1.00 1.83 C ATOM 242 CE1 PHE A 16 8.596 -5.979 1.325 1.00 1.64 C ATOM 243 CE2 PHE A 16 6.908 -4.669 0.181 1.00 1.89 C ATOM 244 CZ PHE A 16 8.160 -5.311 0.168 1.00 0.77 C ATOM 0 H PHE A 16 4.527 -5.169 5.841 1.00 0.66 H new ATOM 0 HA PHE A 16 4.076 -6.593 3.406 1.00 0.62 H new ATOM 0 HB2 PHE A 16 5.154 -4.351 3.745 1.00 0.69 H new ATOM 0 HB3 PHE A 16 6.466 -5.125 4.610 1.00 0.69 H new ATOM 0 HD1 PHE A 16 8.159 -6.504 3.376 1.00 1.68 H new ATOM 0 HD2 PHE A 16 5.134 -4.224 1.329 1.00 1.83 H new ATOM 0 HE1 PHE A 16 9.551 -6.483 1.321 1.00 1.64 H new ATOM 0 HE2 PHE A 16 6.563 -4.146 -0.699 1.00 1.89 H new ATOM 0 HZ PHE A 16 8.777 -5.291 -0.718 1.00 0.77 H new ATOM 254 N HIS A 17 6.182 -8.044 5.485 1.00 0.72 N ATOM 255 CA HIS A 17 6.881 -9.322 5.691 1.00 0.79 C ATOM 256 C HIS A 17 5.954 -10.539 5.475 1.00 0.89 C ATOM 257 O HIS A 17 6.407 -11.567 4.979 1.00 1.05 O ATOM 258 CB HIS A 17 7.547 -9.346 7.079 1.00 0.85 C ATOM 259 CG HIS A 17 8.541 -10.473 7.282 1.00 1.14 C ATOM 260 ND1 HIS A 17 8.360 -11.805 6.970 1.00 2.21 N ATOM 261 CD2 HIS A 17 9.805 -10.364 7.797 1.00 1.44 C ATOM 262 CE1 HIS A 17 9.480 -12.475 7.288 1.00 2.32 C ATOM 263 NE2 HIS A 17 10.398 -11.634 7.786 1.00 1.74 N ATOM 0 H HIS A 17 6.218 -7.415 6.287 1.00 0.72 H new ATOM 0 HA HIS A 17 7.662 -9.402 4.935 1.00 0.79 H new ATOM 0 HB2 HIS A 17 8.057 -8.396 7.239 1.00 0.85 H new ATOM 0 HB3 HIS A 17 6.770 -9.423 7.839 1.00 0.85 H new ATOM 0 HD1 HIS A 17 7.517 -12.213 6.566 1.00 2.21 H new ATOM 0 HD2 HIS A 17 10.267 -9.454 8.151 1.00 1.44 H new ATOM 0 HE1 HIS A 17 9.621 -13.538 7.161 1.00 2.32 H new ATOM 272 N LYS A 18 4.658 -10.434 5.776 1.00 0.89 N ATOM 273 CA LYS A 18 3.688 -11.528 5.596 1.00 1.02 C ATOM 274 C LYS A 18 3.459 -11.926 4.122 1.00 0.93 C ATOM 275 O LYS A 18 3.060 -13.056 3.853 1.00 1.14 O ATOM 276 CB LYS A 18 2.351 -11.093 6.216 1.00 1.12 C ATOM 277 CG LYS A 18 2.380 -10.938 7.746 1.00 1.80 C ATOM 278 CD LYS A 18 1.194 -10.094 8.239 1.00 2.72 C ATOM 279 CE LYS A 18 -0.143 -10.600 7.681 1.00 2.62 C ATOM 280 NZ LYS A 18 -1.266 -9.723 8.058 1.00 3.23 N ATOM 0 H LYS A 18 4.244 -9.582 6.155 1.00 0.89 H new ATOM 0 HA LYS A 18 4.101 -12.409 6.088 1.00 1.02 H new ATOM 0 HB2 LYS A 18 2.051 -10.144 5.773 1.00 1.12 H new ATOM 0 HB3 LYS A 18 1.587 -11.824 5.952 1.00 1.12 H new ATOM 0 HG2 LYS A 18 2.350 -11.922 8.215 1.00 1.80 H new ATOM 0 HG3 LYS A 18 3.316 -10.468 8.049 1.00 1.80 H new ATOM 0 HD2 LYS A 18 1.163 -10.114 9.328 1.00 2.72 H new ATOM 0 HD3 LYS A 18 1.340 -9.055 7.943 1.00 2.72 H new ATOM 0 HE2 LYS A 18 -0.082 -10.664 6.595 1.00 2.62 H new ATOM 0 HE3 LYS A 18 -0.331 -11.609 8.049 1.00 2.62 H new ATOM 0 HZ1 LYS A 18 -2.165 -10.184 7.810 1.00 3.23 H new ATOM 0 HZ2 LYS A 18 -1.239 -9.546 9.082 1.00 3.23 H new ATOM 0 HZ3 LYS A 18 -1.188 -8.820 7.548 1.00 3.23 H new ATOM 294 N TYR A 19 3.704 -11.006 3.182 1.00 0.72 N ATOM 295 CA TYR A 19 3.486 -11.181 1.738 1.00 0.75 C ATOM 296 C TYR A 19 4.803 -11.198 0.939 1.00 0.96 C ATOM 297 O TYR A 19 4.833 -11.670 -0.193 1.00 1.48 O ATOM 298 CB TYR A 19 2.567 -10.046 1.254 1.00 0.62 C ATOM 299 CG TYR A 19 1.145 -10.130 1.776 1.00 0.54 C ATOM 300 CD1 TYR A 19 0.865 -9.736 3.097 1.00 1.72 C ATOM 301 CD2 TYR A 19 0.089 -10.570 0.951 1.00 1.78 C ATOM 302 CE1 TYR A 19 -0.443 -9.792 3.603 1.00 1.76 C ATOM 303 CE2 TYR A 19 -1.231 -10.612 1.441 1.00 1.78 C ATOM 304 CZ TYR A 19 -1.504 -10.225 2.771 1.00 0.60 C ATOM 305 OH TYR A 19 -2.785 -10.264 3.241 1.00 0.71 O ATOM 0 H TYR A 19 4.074 -10.084 3.413 1.00 0.72 H new ATOM 0 HA TYR A 19 3.020 -12.152 1.568 1.00 0.75 H new ATOM 0 HB2 TYR A 19 2.997 -9.091 1.557 1.00 0.62 H new ATOM 0 HB3 TYR A 19 2.543 -10.053 0.164 1.00 0.62 H new ATOM 0 HD1 TYR A 19 1.667 -9.386 3.730 1.00 1.72 H new ATOM 0 HD2 TYR A 19 0.294 -10.877 -0.064 1.00 1.78 H new ATOM 0 HE1 TYR A 19 -0.640 -9.505 4.625 1.00 1.76 H new ATOM 0 HE2 TYR A 19 -2.035 -10.940 0.799 1.00 1.78 H new ATOM 0 HH TYR A 19 -2.774 -10.262 4.221 1.00 0.71 H new ATOM 315 N SER A 20 5.894 -10.724 1.545 1.00 0.81 N ATOM 316 CA SER A 20 7.265 -10.744 1.025 1.00 0.97 C ATOM 317 C SER A 20 8.000 -12.013 1.489 1.00 1.16 C ATOM 318 O SER A 20 8.361 -12.872 0.685 1.00 1.69 O ATOM 319 CB SER A 20 7.936 -9.438 1.501 1.00 0.96 C ATOM 320 OG SER A 20 9.159 -9.123 0.870 1.00 2.36 O ATOM 0 H SER A 20 5.842 -10.290 2.467 1.00 0.81 H new ATOM 0 HA SER A 20 7.290 -10.783 -0.064 1.00 0.97 H new ATOM 0 HB2 SER A 20 7.241 -8.613 1.342 1.00 0.96 H new ATOM 0 HB3 SER A 20 8.108 -9.508 2.575 1.00 0.96 H new ATOM 0 HG SER A 20 9.894 -9.566 1.343 1.00 2.36 H new ATOM 326 N GLY A 21 8.100 -12.214 2.812 1.00 1.13 N ATOM 327 CA GLY A 21 8.727 -13.377 3.442 1.00 1.35 C ATOM 328 C GLY A 21 7.842 -14.626 3.448 1.00 1.31 C ATOM 329 O GLY A 21 8.094 -15.537 4.227 1.00 1.71 O ATOM 0 H GLY A 21 7.733 -11.547 3.491 1.00 1.13 H new ATOM 0 HA2 GLY A 21 9.657 -13.604 2.921 1.00 1.35 H new ATOM 0 HA3 GLY A 21 8.991 -13.125 4.469 1.00 1.35 H new ATOM 332 N ARG A 22 6.829 -14.695 2.568 1.00 1.31 N ATOM 333 CA ARG A 22 5.984 -15.882 2.365 1.00 1.51 C ATOM 334 C ARG A 22 6.700 -17.031 1.632 1.00 1.68 C ATOM 335 O ARG A 22 6.127 -18.108 1.508 1.00 2.30 O ATOM 336 CB ARG A 22 4.680 -15.512 1.632 1.00 1.70 C ATOM 337 CG ARG A 22 4.850 -15.128 0.148 1.00 2.45 C ATOM 338 CD ARG A 22 3.533 -15.258 -0.639 1.00 2.34 C ATOM 339 NE ARG A 22 3.124 -16.674 -0.756 1.00 2.53 N ATOM 340 CZ ARG A 22 3.724 -17.604 -1.489 1.00 3.51 C ATOM 341 NH1 ARG A 22 4.512 -17.296 -2.493 1.00 4.12 N ATOM 342 NH2 ARG A 22 3.557 -18.870 -1.189 1.00 4.74 N ATOM 0 H ARG A 22 6.570 -13.912 1.967 1.00 1.31 H new ATOM 0 HA ARG A 22 5.747 -16.251 3.363 1.00 1.51 H new ATOM 0 HB2 ARG A 22 3.993 -16.356 1.696 1.00 1.70 H new ATOM 0 HB3 ARG A 22 4.211 -14.679 2.155 1.00 1.70 H new ATOM 0 HG2 ARG A 22 5.213 -14.103 0.079 1.00 2.45 H new ATOM 0 HG3 ARG A 22 5.608 -15.766 -0.307 1.00 2.45 H new ATOM 0 HD2 ARG A 22 2.749 -14.689 -0.139 1.00 2.34 H new ATOM 0 HD3 ARG A 22 3.655 -14.828 -1.633 1.00 2.34 H new ATOM 0 HE ARG A 22 2.304 -16.964 -0.223 1.00 2.53 H new ATOM 0 HH11 ARG A 22 4.678 -16.318 -2.729 1.00 4.12 H new ATOM 0 HH12 ARG A 22 4.958 -18.035 -3.037 1.00 4.12 H new ATOM 0 HH21 ARG A 22 2.970 -19.133 -0.398 1.00 4.74 H new ATOM 0 HH22 ARG A 22 4.014 -19.591 -1.747 1.00 4.74 H new ATOM 356 N GLU A 23 7.902 -16.765 1.113 1.00 1.60 N ATOM 357 CA GLU A 23 8.717 -17.596 0.211 1.00 2.11 C ATOM 358 C GLU A 23 9.960 -16.828 -0.276 1.00 2.01 C ATOM 359 O GLU A 23 10.988 -17.446 -0.531 1.00 2.76 O ATOM 360 CB GLU A 23 7.899 -18.087 -1.006 1.00 2.69 C ATOM 361 CG GLU A 23 7.575 -19.593 -0.982 1.00 3.73 C ATOM 362 CD GLU A 23 6.426 -19.928 -1.936 1.00 4.54 C ATOM 363 OE1 GLU A 23 6.320 -19.292 -3.007 1.00 4.76 O ATOM 364 OE2 GLU A 23 5.545 -20.732 -1.558 1.00 5.57 O ATOM 0 H GLU A 23 8.374 -15.887 1.330 1.00 1.60 H new ATOM 0 HA GLU A 23 9.038 -18.466 0.784 1.00 2.11 H new ATOM 0 HB2 GLU A 23 6.965 -17.526 -1.052 1.00 2.69 H new ATOM 0 HB3 GLU A 23 8.452 -17.860 -1.917 1.00 2.69 H new ATOM 0 HG2 GLU A 23 8.461 -20.163 -1.262 1.00 3.73 H new ATOM 0 HG3 GLU A 23 7.309 -19.894 0.031 1.00 3.73 H new ATOM 371 N GLY A 24 9.873 -15.490 -0.395 1.00 2.23 N ATOM 372 CA GLY A 24 10.947 -14.618 -0.894 1.00 2.54 C ATOM 373 C GLY A 24 11.604 -13.736 0.172 1.00 2.11 C ATOM 374 O GLY A 24 11.648 -14.065 1.354 1.00 3.13 O ATOM 0 H GLY A 24 9.031 -14.974 -0.139 1.00 2.23 H new ATOM 0 HA2 GLY A 24 11.715 -15.239 -1.356 1.00 2.54 H new ATOM 0 HA3 GLY A 24 10.542 -13.977 -1.677 1.00 2.54 H new ATOM 377 N SER A 25 12.183 -12.622 -0.279 1.00 1.57 N ATOM 378 CA SER A 25 12.957 -11.679 0.546 1.00 1.36 C ATOM 379 C SER A 25 12.105 -10.966 1.610 1.00 1.33 C ATOM 380 O SER A 25 10.885 -10.898 1.502 1.00 1.55 O ATOM 381 CB SER A 25 13.602 -10.648 -0.400 1.00 1.90 C ATOM 382 OG SER A 25 14.428 -9.710 0.273 1.00 3.27 O ATOM 0 H SER A 25 12.127 -12.338 -1.257 1.00 1.57 H new ATOM 0 HA SER A 25 13.711 -12.241 1.097 1.00 1.36 H new ATOM 0 HB2 SER A 25 14.195 -11.173 -1.149 1.00 1.90 H new ATOM 0 HB3 SER A 25 12.816 -10.113 -0.934 1.00 1.90 H new ATOM 0 HG SER A 25 14.933 -9.188 -0.385 1.00 3.27 H new ATOM 388 N LYS A 26 12.716 -10.321 2.616 1.00 1.47 N ATOM 389 CA LYS A 26 11.982 -9.390 3.492 1.00 1.70 C ATOM 390 C LYS A 26 11.755 -8.003 2.859 1.00 1.61 C ATOM 391 O LYS A 26 11.043 -7.173 3.426 1.00 1.92 O ATOM 392 CB LYS A 26 12.725 -9.266 4.828 1.00 2.27 C ATOM 393 CG LYS A 26 12.628 -10.525 5.681 1.00 2.01 C ATOM 394 CD LYS A 26 13.934 -11.313 5.757 1.00 2.07 C ATOM 395 CE LYS A 26 13.665 -12.577 6.558 1.00 2.05 C ATOM 396 NZ LYS A 26 13.294 -12.309 7.971 1.00 3.13 N ATOM 0 H LYS A 26 13.705 -10.424 2.843 1.00 1.47 H new ATOM 0 HA LYS A 26 10.987 -9.806 3.651 1.00 1.70 H new ATOM 0 HB2 LYS A 26 13.775 -9.044 4.635 1.00 2.27 H new ATOM 0 HB3 LYS A 26 12.319 -8.423 5.387 1.00 2.27 H new ATOM 0 HG2 LYS A 26 12.321 -10.248 6.690 1.00 2.01 H new ATOM 0 HG3 LYS A 26 11.848 -11.169 5.276 1.00 2.01 H new ATOM 0 HD2 LYS A 26 14.289 -11.562 4.757 1.00 2.07 H new ATOM 0 HD3 LYS A 26 14.713 -10.717 6.233 1.00 2.07 H new ATOM 0 HE2 LYS A 26 12.863 -13.138 6.079 1.00 2.05 H new ATOM 0 HE3 LYS A 26 14.553 -13.209 6.536 1.00 2.05 H new ATOM 0 HZ1 LYS A 26 13.484 -13.154 8.546 1.00 3.13 H new ATOM 0 HZ2 LYS A 26 13.855 -11.511 8.332 1.00 3.13 H new ATOM 0 HZ3 LYS A 26 12.282 -12.074 8.026 1.00 3.13 H new ATOM 410 N LEU A 27 12.390 -7.750 1.704 1.00 1.40 N ATOM 411 CA LEU A 27 12.502 -6.435 1.056 1.00 1.55 C ATOM 412 C LEU A 27 11.714 -6.319 -0.251 1.00 1.29 C ATOM 413 O LEU A 27 11.334 -5.203 -0.612 1.00 1.34 O ATOM 414 CB LEU A 27 13.994 -6.203 0.750 1.00 1.89 C ATOM 415 CG LEU A 27 14.873 -5.732 1.920 1.00 2.57 C ATOM 416 CD1 LEU A 27 14.772 -4.207 2.060 1.00 3.18 C ATOM 417 CD2 LEU A 27 14.628 -6.409 3.285 1.00 3.12 C ATOM 0 H LEU A 27 12.858 -8.486 1.175 1.00 1.40 H new ATOM 0 HA LEU A 27 12.083 -5.693 1.736 1.00 1.55 H new ATOM 0 HB2 LEU A 27 14.411 -7.133 0.364 1.00 1.89 H new ATOM 0 HB3 LEU A 27 14.067 -5.465 -0.049 1.00 1.89 H new ATOM 0 HG LEU A 27 15.881 -6.047 1.648 1.00 2.57 H new ATOM 0 HD11 LEU A 27 15.396 -3.876 2.890 1.00 3.18 H new ATOM 0 HD12 LEU A 27 15.112 -3.734 1.139 1.00 3.18 H new ATOM 0 HD13 LEU A 27 13.736 -3.927 2.251 1.00 3.18 H new ATOM 0 HD21 LEU A 27 15.309 -5.991 4.026 1.00 3.12 H new ATOM 0 HD22 LEU A 27 13.599 -6.234 3.598 1.00 3.12 H new ATOM 0 HD23 LEU A 27 14.803 -7.481 3.196 1.00 3.12 H new ATOM 429 N THR A 28 11.508 -7.450 -0.939 1.00 1.13 N ATOM 430 CA THR A 28 10.841 -7.518 -2.248 1.00 1.04 C ATOM 431 C THR A 28 9.858 -8.680 -2.398 1.00 1.09 C ATOM 432 O THR A 28 10.043 -9.758 -1.831 1.00 1.47 O ATOM 433 CB THR A 28 11.850 -7.557 -3.397 1.00 1.09 C ATOM 434 OG1 THR A 28 12.682 -8.694 -3.293 1.00 1.24 O ATOM 435 CG2 THR A 28 12.759 -6.330 -3.470 1.00 1.18 C ATOM 0 H THR A 28 11.806 -8.363 -0.595 1.00 1.13 H new ATOM 0 HA THR A 28 10.256 -6.599 -2.299 1.00 1.04 H new ATOM 0 HB THR A 28 11.241 -7.584 -4.300 1.00 1.09 H new ATOM 0 HG1 THR A 28 12.589 -9.242 -4.100 1.00 1.24 H new ATOM 0 HG21 THR A 28 13.445 -6.435 -4.311 1.00 1.18 H new ATOM 0 HG22 THR A 28 12.152 -5.435 -3.606 1.00 1.18 H new ATOM 0 HG23 THR A 28 13.329 -6.244 -2.545 1.00 1.18 H new ATOM 443 N LEU A 29 8.799 -8.455 -3.190 1.00 0.84 N ATOM 444 CA LEU A 29 7.703 -9.408 -3.463 1.00 0.77 C ATOM 445 C LEU A 29 7.089 -9.219 -4.850 1.00 0.71 C ATOM 446 O LEU A 29 7.209 -8.151 -5.441 1.00 0.73 O ATOM 447 CB LEU A 29 6.601 -9.319 -2.383 1.00 0.76 C ATOM 448 CG LEU A 29 5.615 -8.130 -2.450 1.00 0.73 C ATOM 449 CD1 LEU A 29 4.660 -8.229 -1.254 1.00 0.82 C ATOM 450 CD2 LEU A 29 6.339 -6.782 -2.407 1.00 0.89 C ATOM 0 H LEU A 29 8.674 -7.569 -3.680 1.00 0.84 H new ATOM 0 HA LEU A 29 8.151 -10.401 -3.434 1.00 0.77 H new ATOM 0 HB2 LEU A 29 6.018 -10.239 -2.424 1.00 0.76 H new ATOM 0 HB3 LEU A 29 7.089 -9.294 -1.409 1.00 0.76 H new ATOM 0 HG LEU A 29 5.073 -8.182 -3.395 1.00 0.73 H new ATOM 0 HD11 LEU A 29 3.955 -7.398 -1.282 1.00 0.82 H new ATOM 0 HD12 LEU A 29 4.113 -9.171 -1.302 1.00 0.82 H new ATOM 0 HD13 LEU A 29 5.232 -8.188 -0.327 1.00 0.82 H new ATOM 0 HD21 LEU A 29 5.608 -5.975 -2.456 1.00 0.89 H new ATOM 0 HD22 LEU A 29 6.905 -6.703 -1.479 1.00 0.89 H new ATOM 0 HD23 LEU A 29 7.020 -6.707 -3.255 1.00 0.89 H new ATOM 462 N SER A 30 6.382 -10.226 -5.358 1.00 0.79 N ATOM 463 CA SER A 30 5.678 -10.130 -6.638 1.00 0.81 C ATOM 464 C SER A 30 4.543 -9.091 -6.609 1.00 0.78 C ATOM 465 O SER A 30 3.812 -9.000 -5.612 1.00 0.84 O ATOM 466 CB SER A 30 5.162 -11.516 -7.057 1.00 0.93 C ATOM 467 OG SER A 30 4.496 -12.206 -6.010 1.00 1.60 O ATOM 0 H SER A 30 6.280 -11.130 -4.897 1.00 0.79 H new ATOM 0 HA SER A 30 6.390 -9.779 -7.384 1.00 0.81 H new ATOM 0 HB2 SER A 30 4.480 -11.403 -7.900 1.00 0.93 H new ATOM 0 HB3 SER A 30 6.001 -12.119 -7.404 1.00 0.93 H new ATOM 0 HG SER A 30 4.190 -13.078 -6.336 1.00 1.60 H new ATOM 473 N ARG A 31 4.365 -8.333 -7.707 1.00 0.77 N ATOM 474 CA ARG A 31 3.319 -7.297 -7.833 1.00 0.78 C ATOM 475 C ARG A 31 1.956 -7.783 -7.316 1.00 0.84 C ATOM 476 O ARG A 31 1.288 -7.069 -6.580 1.00 1.05 O ATOM 477 CB ARG A 31 3.121 -6.764 -9.278 1.00 1.10 C ATOM 478 CG ARG A 31 4.215 -6.916 -10.345 1.00 1.75 C ATOM 479 CD ARG A 31 5.419 -6.015 -10.108 1.00 1.93 C ATOM 480 NE ARG A 31 5.208 -4.614 -10.508 1.00 2.18 N ATOM 481 CZ ARG A 31 6.026 -3.588 -10.259 1.00 2.52 C ATOM 482 NH1 ARG A 31 7.240 -3.717 -9.765 1.00 3.04 N ATOM 483 NH2 ARG A 31 5.609 -2.358 -10.464 1.00 3.01 N ATOM 0 H ARG A 31 4.947 -8.422 -8.540 1.00 0.77 H new ATOM 0 HA ARG A 31 3.691 -6.479 -7.216 1.00 0.78 H new ATOM 0 HB2 ARG A 31 2.225 -7.243 -9.672 1.00 1.10 H new ATOM 0 HB3 ARG A 31 2.904 -5.699 -9.196 1.00 1.10 H new ATOM 0 HG2 ARG A 31 4.546 -7.954 -10.370 1.00 1.75 H new ATOM 0 HG3 ARG A 31 3.791 -6.693 -11.324 1.00 1.75 H new ATOM 0 HD2 ARG A 31 5.679 -6.045 -9.050 1.00 1.93 H new ATOM 0 HD3 ARG A 31 6.272 -6.414 -10.657 1.00 1.93 H new ATOM 0 HE ARG A 31 4.354 -4.407 -11.026 1.00 2.18 H new ATOM 0 HH11 ARG A 31 7.607 -4.644 -9.549 1.00 3.04 H new ATOM 0 HH12 ARG A 31 7.813 -2.890 -9.599 1.00 3.04 H new ATOM 0 HH21 ARG A 31 4.665 -2.191 -10.812 1.00 3.01 H new ATOM 0 HH22 ARG A 31 6.230 -1.571 -10.275 1.00 3.01 H new ATOM 497 N LYS A 32 1.592 -9.018 -7.677 1.00 0.83 N ATOM 498 CA LYS A 32 0.410 -9.771 -7.255 1.00 0.94 C ATOM 499 C LYS A 32 0.130 -9.628 -5.750 1.00 0.83 C ATOM 500 O LYS A 32 -0.976 -9.240 -5.376 1.00 0.88 O ATOM 501 CB LYS A 32 0.684 -11.236 -7.675 1.00 1.20 C ATOM 502 CG LYS A 32 -0.190 -12.340 -7.057 1.00 2.70 C ATOM 503 CD LYS A 32 -1.696 -12.245 -7.359 1.00 3.29 C ATOM 504 CE LYS A 32 -2.571 -11.933 -6.136 1.00 5.28 C ATOM 505 NZ LYS A 32 -2.436 -12.916 -5.033 1.00 7.21 N ATOM 0 H LYS A 32 2.164 -9.559 -8.325 1.00 0.83 H new ATOM 0 HA LYS A 32 -0.495 -9.389 -7.728 1.00 0.94 H new ATOM 0 HB2 LYS A 32 0.583 -11.297 -8.759 1.00 1.20 H new ATOM 0 HB3 LYS A 32 1.724 -11.462 -7.439 1.00 1.20 H new ATOM 0 HG2 LYS A 32 0.173 -13.305 -7.410 1.00 2.70 H new ATOM 0 HG3 LYS A 32 -0.053 -12.324 -5.976 1.00 2.70 H new ATOM 0 HD2 LYS A 32 -1.855 -11.472 -8.111 1.00 3.29 H new ATOM 0 HD3 LYS A 32 -2.027 -13.187 -7.796 1.00 3.29 H new ATOM 0 HE2 LYS A 32 -2.313 -10.943 -5.760 1.00 5.28 H new ATOM 0 HE3 LYS A 32 -3.614 -11.894 -6.449 1.00 5.28 H new ATOM 0 HZ1 LYS A 32 -3.321 -12.949 -4.487 1.00 7.21 H new ATOM 0 HZ2 LYS A 32 -2.238 -13.857 -5.429 1.00 7.21 H new ATOM 0 HZ3 LYS A 32 -1.654 -12.632 -4.409 1.00 7.21 H new ATOM 519 N GLU A 33 1.128 -9.888 -4.909 1.00 0.79 N ATOM 520 CA GLU A 33 0.952 -9.967 -3.458 1.00 0.79 C ATOM 521 C GLU A 33 0.852 -8.584 -2.806 1.00 0.75 C ATOM 522 O GLU A 33 -0.002 -8.382 -1.944 1.00 0.80 O ATOM 523 CB GLU A 33 2.082 -10.805 -2.839 1.00 0.87 C ATOM 524 CG GLU A 33 2.152 -12.256 -3.331 1.00 1.39 C ATOM 525 CD GLU A 33 0.914 -13.083 -2.945 1.00 1.66 C ATOM 526 OE1 GLU A 33 -0.188 -12.796 -3.478 1.00 2.74 O ATOM 527 OE2 GLU A 33 1.057 -13.998 -2.114 1.00 2.47 O ATOM 0 H GLU A 33 2.087 -10.051 -5.215 1.00 0.79 H new ATOM 0 HA GLU A 33 0.001 -10.462 -3.262 1.00 0.79 H new ATOM 0 HB2 GLU A 33 3.034 -10.318 -3.051 1.00 0.87 H new ATOM 0 HB3 GLU A 33 1.960 -10.809 -1.756 1.00 0.87 H new ATOM 0 HG2 GLU A 33 2.261 -12.261 -4.415 1.00 1.39 H new ATOM 0 HG3 GLU A 33 3.042 -12.731 -2.919 1.00 1.39 H new ATOM 534 N LEU A 34 1.627 -7.591 -3.255 1.00 0.71 N ATOM 535 CA LEU A 34 1.506 -6.227 -2.734 1.00 0.76 C ATOM 536 C LEU A 34 0.194 -5.546 -3.131 1.00 0.78 C ATOM 537 O LEU A 34 -0.462 -4.877 -2.334 1.00 0.79 O ATOM 538 CB LEU A 34 2.679 -5.404 -3.264 1.00 0.97 C ATOM 539 CG LEU A 34 2.752 -4.036 -2.568 1.00 1.38 C ATOM 540 CD1 LEU A 34 3.050 -4.206 -1.069 1.00 1.68 C ATOM 541 CD2 LEU A 34 3.846 -3.223 -3.236 1.00 1.71 C ATOM 0 H LEU A 34 2.341 -7.706 -3.974 1.00 0.71 H new ATOM 0 HA LEU A 34 1.514 -6.287 -1.646 1.00 0.76 H new ATOM 0 HB2 LEU A 34 3.610 -5.947 -3.104 1.00 0.97 H new ATOM 0 HB3 LEU A 34 2.572 -5.263 -4.340 1.00 0.97 H new ATOM 0 HG LEU A 34 1.795 -3.522 -2.658 1.00 1.38 H new ATOM 0 HD11 LEU A 34 3.098 -3.226 -0.594 1.00 1.68 H new ATOM 0 HD12 LEU A 34 2.259 -4.796 -0.605 1.00 1.68 H new ATOM 0 HD13 LEU A 34 4.005 -4.717 -0.943 1.00 1.68 H new ATOM 0 HD21 LEU A 34 3.917 -2.246 -2.758 1.00 1.71 H new ATOM 0 HD22 LEU A 34 4.798 -3.745 -3.138 1.00 1.71 H new ATOM 0 HD23 LEU A 34 3.610 -3.094 -4.292 1.00 1.71 H new ATOM 553 N LYS A 35 -0.209 -5.757 -4.383 1.00 0.90 N ATOM 554 CA LYS A 35 -1.498 -5.345 -4.918 1.00 1.02 C ATOM 555 C LYS A 35 -2.629 -5.983 -4.094 1.00 0.96 C ATOM 556 O LYS A 35 -3.637 -5.336 -3.833 1.00 1.10 O ATOM 557 CB LYS A 35 -1.455 -5.737 -6.409 1.00 1.25 C ATOM 558 CG LYS A 35 -2.648 -5.465 -7.333 1.00 1.69 C ATOM 559 CD LYS A 35 -3.956 -6.233 -7.091 1.00 1.47 C ATOM 560 CE LYS A 35 -3.767 -7.644 -6.523 1.00 2.40 C ATOM 561 NZ LYS A 35 -4.616 -8.667 -7.167 1.00 3.08 N ATOM 0 H LYS A 35 0.373 -6.234 -5.071 1.00 0.90 H new ATOM 0 HA LYS A 35 -1.698 -4.276 -4.847 1.00 1.02 H new ATOM 0 HB2 LYS A 35 -0.592 -5.235 -6.846 1.00 1.25 H new ATOM 0 HB3 LYS A 35 -1.256 -6.808 -6.452 1.00 1.25 H new ATOM 0 HG2 LYS A 35 -2.874 -4.400 -7.277 1.00 1.69 H new ATOM 0 HG3 LYS A 35 -2.328 -5.669 -8.355 1.00 1.69 H new ATOM 0 HD2 LYS A 35 -4.578 -5.659 -6.405 1.00 1.47 H new ATOM 0 HD3 LYS A 35 -4.501 -6.304 -8.032 1.00 1.47 H new ATOM 0 HE2 LYS A 35 -2.722 -7.932 -6.633 1.00 2.40 H new ATOM 0 HE3 LYS A 35 -3.983 -7.627 -5.455 1.00 2.40 H new ATOM 0 HZ1 LYS A 35 -4.684 -9.501 -6.549 1.00 3.08 H new ATOM 0 HZ2 LYS A 35 -5.567 -8.277 -7.329 1.00 3.08 H new ATOM 0 HZ3 LYS A 35 -4.196 -8.944 -8.077 1.00 3.08 H new ATOM 575 N GLU A 36 -2.442 -7.218 -3.617 1.00 0.85 N ATOM 576 CA GLU A 36 -3.408 -7.896 -2.763 1.00 0.89 C ATOM 577 C GLU A 36 -3.542 -7.196 -1.404 1.00 0.99 C ATOM 578 O GLU A 36 -4.653 -6.913 -0.969 1.00 1.17 O ATOM 579 CB GLU A 36 -2.981 -9.357 -2.564 1.00 0.97 C ATOM 580 CG GLU A 36 -4.198 -10.273 -2.436 1.00 1.11 C ATOM 581 CD GLU A 36 -4.588 -10.854 -3.792 1.00 1.76 C ATOM 582 OE1 GLU A 36 -4.611 -10.121 -4.809 1.00 2.93 O ATOM 583 OE2 GLU A 36 -4.766 -12.088 -3.831 1.00 2.42 O ATOM 0 H GLU A 36 -1.610 -7.774 -3.817 1.00 0.85 H new ATOM 0 HA GLU A 36 -4.382 -7.862 -3.252 1.00 0.89 H new ATOM 0 HB2 GLU A 36 -2.367 -9.678 -3.406 1.00 0.97 H new ATOM 0 HB3 GLU A 36 -2.364 -9.440 -1.670 1.00 0.97 H new ATOM 0 HG2 GLU A 36 -3.978 -11.082 -1.739 1.00 1.11 H new ATOM 0 HG3 GLU A 36 -5.037 -9.714 -2.021 1.00 1.11 H new ATOM 590 N LEU A 37 -2.408 -6.871 -0.765 1.00 0.98 N ATOM 591 CA LEU A 37 -2.331 -6.320 0.591 1.00 1.00 C ATOM 592 C LEU A 37 -3.219 -5.093 0.819 1.00 1.02 C ATOM 593 O LEU A 37 -3.794 -4.920 1.891 1.00 1.11 O ATOM 594 CB LEU A 37 -0.862 -5.938 0.886 1.00 1.11 C ATOM 595 CG LEU A 37 -0.265 -6.723 2.054 1.00 1.15 C ATOM 596 CD1 LEU A 37 1.212 -6.338 2.228 1.00 1.90 C ATOM 597 CD2 LEU A 37 -1.029 -6.521 3.371 1.00 3.13 C ATOM 0 H LEU A 37 -1.491 -6.990 -1.195 1.00 0.98 H new ATOM 0 HA LEU A 37 -2.697 -7.094 1.265 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -0.261 -6.111 -0.006 1.00 1.11 H new ATOM 0 HB3 LEU A 37 -0.806 -4.872 1.106 1.00 1.11 H new ATOM 0 HG LEU A 37 -0.352 -7.782 1.810 1.00 1.15 H new ATOM 0 HD11 LEU A 37 1.638 -6.897 3.061 1.00 1.90 H new ATOM 0 HD12 LEU A 37 1.759 -6.573 1.315 1.00 1.90 H new ATOM 0 HD13 LEU A 37 1.288 -5.270 2.432 1.00 1.90 H new ATOM 0 HD21 LEU A 37 -0.555 -7.105 4.160 1.00 3.13 H new ATOM 0 HD22 LEU A 37 -1.014 -5.465 3.642 1.00 3.13 H new ATOM 0 HD23 LEU A 37 -2.061 -6.849 3.247 1.00 3.13 H new ATOM 609 N ILE A 38 -3.312 -4.248 -0.202 1.00 0.98 N ATOM 610 CA ILE A 38 -3.891 -2.900 -0.137 1.00 1.05 C ATOM 611 C ILE A 38 -5.410 -2.906 -0.361 1.00 1.32 C ATOM 612 O ILE A 38 -6.078 -1.935 -0.037 1.00 1.70 O ATOM 613 CB ILE A 38 -3.088 -1.995 -1.103 1.00 1.04 C ATOM 614 CG1 ILE A 38 -1.582 -2.041 -0.724 1.00 0.90 C ATOM 615 CG2 ILE A 38 -3.593 -0.539 -1.104 1.00 1.35 C ATOM 616 CD1 ILE A 38 -0.677 -1.425 -1.783 1.00 1.08 C ATOM 0 H ILE A 38 -2.975 -4.487 -1.135 1.00 0.98 H new ATOM 0 HA ILE A 38 -3.797 -2.484 0.866 1.00 1.05 H new ATOM 0 HB ILE A 38 -3.231 -2.380 -2.113 1.00 1.04 H new ATOM 0 HG12 ILE A 38 -1.435 -1.516 0.220 1.00 0.90 H new ATOM 0 HG13 ILE A 38 -1.287 -3.077 -0.561 1.00 0.90 H new ATOM 0 HG21 ILE A 38 -2.996 0.053 -1.798 1.00 1.35 H new ATOM 0 HG22 ILE A 38 -4.638 -0.516 -1.414 1.00 1.35 H new ATOM 0 HG23 ILE A 38 -3.503 -0.122 -0.101 1.00 1.35 H new ATOM 0 HD11 ILE A 38 0.361 -1.489 -1.457 1.00 1.08 H new ATOM 0 HD12 ILE A 38 -0.796 -1.965 -2.722 1.00 1.08 H new ATOM 0 HD13 ILE A 38 -0.947 -0.379 -1.929 1.00 1.08 H new ATOM 628 N LYS A 39 -5.977 -4.004 -0.867 1.00 1.23 N ATOM 629 CA LYS A 39 -7.409 -4.291 -0.817 1.00 1.36 C ATOM 630 C LYS A 39 -7.770 -5.286 0.315 1.00 1.37 C ATOM 631 O LYS A 39 -8.933 -5.404 0.697 1.00 1.55 O ATOM 632 CB LYS A 39 -7.771 -4.870 -2.190 1.00 1.36 C ATOM 633 CG LYS A 39 -7.566 -3.923 -3.391 1.00 1.69 C ATOM 634 CD LYS A 39 -8.530 -2.737 -3.620 1.00 2.39 C ATOM 635 CE LYS A 39 -9.796 -3.139 -4.401 1.00 2.80 C ATOM 636 NZ LYS A 39 -10.315 -2.047 -5.270 1.00 4.24 N ATOM 0 H LYS A 39 -5.439 -4.734 -1.333 1.00 1.23 H new ATOM 0 HA LYS A 39 -7.972 -3.384 -0.598 1.00 1.36 H new ATOM 0 HB2 LYS A 39 -7.176 -5.768 -2.353 1.00 1.36 H new ATOM 0 HB3 LYS A 39 -8.816 -5.180 -2.169 1.00 1.36 H new ATOM 0 HG2 LYS A 39 -6.560 -3.511 -3.309 1.00 1.69 H new ATOM 0 HG3 LYS A 39 -7.587 -4.535 -4.293 1.00 1.69 H new ATOM 0 HD2 LYS A 39 -8.821 -2.320 -2.656 1.00 2.39 H new ATOM 0 HD3 LYS A 39 -8.008 -1.950 -4.164 1.00 2.39 H new ATOM 0 HE2 LYS A 39 -9.575 -4.011 -5.016 1.00 2.80 H new ATOM 0 HE3 LYS A 39 -10.573 -3.435 -3.696 1.00 2.80 H new ATOM 0 HZ1 LYS A 39 -11.259 -2.303 -5.623 1.00 4.24 H new ATOM 0 HZ2 LYS A 39 -10.378 -1.166 -4.720 1.00 4.24 H new ATOM 0 HZ3 LYS A 39 -9.671 -1.908 -6.074 1.00 4.24 H new ATOM 650 N LYS A 40 -6.790 -6.057 0.815 1.00 1.24 N ATOM 651 CA LYS A 40 -6.940 -7.059 1.882 1.00 1.25 C ATOM 652 C LYS A 40 -6.917 -6.432 3.280 1.00 1.23 C ATOM 653 O LYS A 40 -7.865 -6.581 4.042 1.00 1.46 O ATOM 654 CB LYS A 40 -5.784 -8.083 1.777 1.00 1.34 C ATOM 655 CG LYS A 40 -5.941 -9.121 0.665 1.00 1.64 C ATOM 656 CD LYS A 40 -6.781 -10.325 1.116 1.00 1.11 C ATOM 657 CE LYS A 40 -6.020 -11.645 0.911 1.00 1.86 C ATOM 658 NZ LYS A 40 -4.889 -11.802 1.861 1.00 3.91 N ATOM 0 H LYS A 40 -5.831 -5.996 0.472 1.00 1.24 H new ATOM 0 HA LYS A 40 -7.909 -7.540 1.748 1.00 1.25 H new ATOM 0 HB2 LYS A 40 -4.852 -7.541 1.619 1.00 1.34 H new ATOM 0 HB3 LYS A 40 -5.692 -8.604 2.730 1.00 1.34 H new ATOM 0 HG2 LYS A 40 -6.411 -8.656 -0.202 1.00 1.64 H new ATOM 0 HG3 LYS A 40 -4.956 -9.464 0.348 1.00 1.64 H new ATOM 0 HD2 LYS A 40 -7.044 -10.214 2.168 1.00 1.11 H new ATOM 0 HD3 LYS A 40 -7.715 -10.350 0.555 1.00 1.11 H new ATOM 0 HE2 LYS A 40 -6.710 -12.481 1.031 1.00 1.86 H new ATOM 0 HE3 LYS A 40 -5.641 -11.688 -0.110 1.00 1.86 H new ATOM 0 HZ1 LYS A 40 -4.200 -12.477 1.472 1.00 3.91 H new ATOM 0 HZ2 LYS A 40 -4.427 -10.881 2.006 1.00 3.91 H new ATOM 0 HZ3 LYS A 40 -5.247 -12.157 2.771 1.00 3.91 H new ATOM 672 N GLU A 41 -5.779 -5.835 3.632 1.00 1.02 N ATOM 673 CA GLU A 41 -5.438 -5.389 4.988 1.00 1.01 C ATOM 674 C GLU A 41 -5.378 -3.862 5.123 1.00 1.20 C ATOM 675 O GLU A 41 -5.446 -3.348 6.240 1.00 1.53 O ATOM 676 CB GLU A 41 -4.113 -6.017 5.428 1.00 1.29 C ATOM 677 CG GLU A 41 -4.198 -7.549 5.343 1.00 2.49 C ATOM 678 CD GLU A 41 -3.040 -8.275 6.007 1.00 3.52 C ATOM 679 OE1 GLU A 41 -2.292 -7.679 6.806 1.00 3.89 O ATOM 680 OE2 GLU A 41 -2.898 -9.497 5.755 1.00 4.81 O ATOM 0 H GLU A 41 -5.039 -5.640 2.957 1.00 1.02 H new ATOM 0 HA GLU A 41 -6.241 -5.725 5.644 1.00 1.01 H new ATOM 0 HB2 GLU A 41 -3.303 -5.655 4.795 1.00 1.29 H new ATOM 0 HB3 GLU A 41 -3.880 -5.714 6.449 1.00 1.29 H new ATOM 0 HG2 GLU A 41 -5.130 -7.876 5.804 1.00 2.49 H new ATOM 0 HG3 GLU A 41 -4.242 -7.842 4.294 1.00 2.49 H new ATOM 687 N LEU A 42 -5.358 -3.132 4.008 1.00 1.34 N ATOM 688 CA LEU A 42 -6.077 -1.869 3.909 1.00 1.42 C ATOM 689 C LEU A 42 -7.446 -2.199 3.279 1.00 1.42 C ATOM 690 O LEU A 42 -7.512 -2.939 2.301 1.00 1.67 O ATOM 691 CB LEU A 42 -5.220 -0.854 3.120 1.00 1.49 C ATOM 692 CG LEU A 42 -5.301 0.590 3.651 1.00 1.46 C ATOM 693 CD1 LEU A 42 -4.244 1.458 2.954 1.00 2.25 C ATOM 694 CD2 LEU A 42 -6.689 1.204 3.462 1.00 1.88 C ATOM 0 H LEU A 42 -4.851 -3.396 3.163 1.00 1.34 H new ATOM 0 HA LEU A 42 -6.259 -1.390 4.871 1.00 1.42 H new ATOM 0 HB2 LEU A 42 -4.180 -1.179 3.142 1.00 1.49 H new ATOM 0 HB3 LEU A 42 -5.535 -0.863 2.077 1.00 1.49 H new ATOM 0 HG LEU A 42 -5.108 0.556 4.723 1.00 1.46 H new ATOM 0 HD11 LEU A 42 -4.304 2.479 3.332 1.00 2.25 H new ATOM 0 HD12 LEU A 42 -3.252 1.055 3.155 1.00 2.25 H new ATOM 0 HD13 LEU A 42 -4.424 1.458 1.879 1.00 2.25 H new ATOM 0 HD21 LEU A 42 -6.693 2.222 3.853 1.00 1.88 H new ATOM 0 HD22 LEU A 42 -6.938 1.222 2.401 1.00 1.88 H new ATOM 0 HD23 LEU A 42 -7.427 0.607 3.998 1.00 1.88 H new ATOM 706 N CYS A 43 -8.527 -1.707 3.895 1.00 1.51 N ATOM 707 CA CYS A 43 -9.929 -1.873 3.491 1.00 1.63 C ATOM 708 C CYS A 43 -10.810 -0.988 4.395 1.00 2.55 C ATOM 709 O CYS A 43 -11.338 -1.410 5.433 1.00 3.83 O ATOM 710 CB CYS A 43 -10.323 -3.362 3.480 1.00 2.18 C ATOM 711 SG CYS A 43 -12.066 -3.541 2.996 1.00 2.44 S ATOM 0 H CYS A 43 -8.441 -1.147 4.743 1.00 1.51 H new ATOM 0 HA CYS A 43 -10.082 -1.537 2.465 1.00 1.63 H new ATOM 0 HB2 CYS A 43 -9.686 -3.910 2.786 1.00 2.18 H new ATOM 0 HB3 CYS A 43 -10.165 -3.796 4.467 1.00 2.18 H new ATOM 0 HG CYS A 43 -12.387 -4.801 2.988 1.00 2.44 H new ATOM 774 N LYS A 48 -13.226 5.667 -1.621 1.00 2.13 N ATOM 775 CA LYS A 48 -12.192 6.088 -2.519 1.00 2.25 C ATOM 776 C LYS A 48 -11.699 4.954 -3.437 1.00 2.67 C ATOM 777 O LYS A 48 -10.810 4.189 -3.073 1.00 3.58 O ATOM 778 CB LYS A 48 -11.120 6.573 -1.548 1.00 2.74 C ATOM 779 CG LYS A 48 -10.189 7.523 -2.240 1.00 3.21 C ATOM 780 CD LYS A 48 -10.835 8.855 -2.614 1.00 3.98 C ATOM 781 CE LYS A 48 -11.583 9.674 -1.535 1.00 4.76 C ATOM 782 NZ LYS A 48 -11.490 11.142 -1.782 1.00 5.94 N ATOM 0 HA LYS A 48 -12.513 6.848 -3.231 1.00 2.25 H new ATOM 0 HB2 LYS A 48 -11.587 7.066 -0.695 1.00 2.74 H new ATOM 0 HB3 LYS A 48 -10.560 5.723 -1.158 1.00 2.74 H new ATOM 0 HG2 LYS A 48 -9.333 7.714 -1.593 1.00 3.21 H new ATOM 0 HG3 LYS A 48 -9.806 7.049 -3.144 1.00 3.21 H new ATOM 0 HD2 LYS A 48 -10.052 9.493 -3.023 1.00 3.98 H new ATOM 0 HD3 LYS A 48 -11.540 8.659 -3.422 1.00 3.98 H new ATOM 0 HE2 LYS A 48 -12.631 9.376 -1.515 1.00 4.76 H new ATOM 0 HE3 LYS A 48 -11.168 9.445 -0.554 1.00 4.76 H new ATOM 0 HZ1 LYS A 48 -11.489 11.648 -0.873 1.00 5.94 H new ATOM 0 HZ2 LYS A 48 -10.611 11.353 -2.296 1.00 5.94 H new ATOM 0 HZ3 LYS A 48 -12.305 11.451 -2.349 1.00 5.94 H new ATOM 796 N GLU A 49 -12.277 4.888 -4.630 1.00 2.52 N ATOM 797 CA GLU A 49 -12.231 3.710 -5.501 1.00 3.08 C ATOM 798 C GLU A 49 -12.180 3.996 -7.010 1.00 2.25 C ATOM 799 O GLU A 49 -12.362 5.131 -7.452 1.00 2.66 O ATOM 800 CB GLU A 49 -13.454 2.818 -5.183 1.00 4.37 C ATOM 801 CG GLU A 49 -13.089 1.716 -4.189 1.00 6.11 C ATOM 802 CD GLU A 49 -12.047 0.736 -4.743 1.00 7.52 C ATOM 803 OE1 GLU A 49 -11.712 0.787 -5.953 1.00 7.70 O ATOM 804 OE2 GLU A 49 -11.547 -0.076 -3.935 1.00 8.82 O ATOM 0 H GLU A 49 -12.802 5.665 -5.031 1.00 2.52 H new ATOM 0 HA GLU A 49 -11.285 3.215 -5.283 1.00 3.08 H new ATOM 0 HB2 GLU A 49 -14.257 3.430 -4.773 1.00 4.37 H new ATOM 0 HB3 GLU A 49 -13.831 2.372 -6.103 1.00 4.37 H new ATOM 0 HG2 GLU A 49 -12.704 2.170 -3.276 1.00 6.11 H new ATOM 0 HG3 GLU A 49 -13.990 1.166 -3.917 1.00 6.11 H new ATOM 811 N SER A 50 -11.943 2.940 -7.797 1.00 2.84 N ATOM 812 CA SER A 50 -12.068 2.856 -9.267 1.00 2.79 C ATOM 813 C SER A 50 -10.911 3.558 -9.982 1.00 2.62 C ATOM 814 O SER A 50 -10.117 2.920 -10.666 1.00 3.74 O ATOM 815 CB SER A 50 -13.433 3.379 -9.744 1.00 3.37 C ATOM 816 OG SER A 50 -13.644 3.038 -11.102 1.00 3.86 O ATOM 0 H SER A 50 -11.636 2.053 -7.399 1.00 2.84 H new ATOM 0 HA SER A 50 -12.010 1.801 -9.535 1.00 2.79 H new ATOM 0 HB2 SER A 50 -14.227 2.956 -9.128 1.00 3.37 H new ATOM 0 HB3 SER A 50 -13.478 4.461 -9.623 1.00 3.37 H new ATOM 0 HG SER A 50 -14.517 3.375 -11.392 1.00 3.86 H new ATOM 822 N SER A 51 -10.681 4.843 -9.699 1.00 2.19 N ATOM 823 CA SER A 51 -9.455 5.559 -10.091 1.00 2.28 C ATOM 824 C SER A 51 -8.204 5.063 -9.336 1.00 1.81 C ATOM 825 O SER A 51 -7.125 5.628 -9.490 1.00 2.06 O ATOM 826 CB SER A 51 -9.619 7.068 -9.860 1.00 2.81 C ATOM 827 OG SER A 51 -10.804 7.580 -10.455 1.00 3.99 O ATOM 0 H SER A 51 -11.344 5.425 -9.187 1.00 2.19 H new ATOM 0 HA SER A 51 -9.305 5.354 -11.151 1.00 2.28 H new ATOM 0 HB2 SER A 51 -9.637 7.269 -8.789 1.00 2.81 H new ATOM 0 HB3 SER A 51 -8.755 7.592 -10.268 1.00 2.81 H new ATOM 0 HG SER A 51 -10.868 8.542 -10.281 1.00 3.99 H new ATOM 833 N ILE A 52 -8.357 4.035 -8.497 1.00 1.61 N ATOM 834 CA ILE A 52 -7.270 3.275 -7.865 1.00 1.41 C ATOM 835 C ILE A 52 -7.165 1.845 -8.406 1.00 1.11 C ATOM 836 O ILE A 52 -6.183 1.165 -8.114 1.00 1.06 O ATOM 837 CB ILE A 52 -7.395 3.300 -6.328 1.00 1.65 C ATOM 838 CG1 ILE A 52 -8.574 2.492 -5.731 1.00 1.84 C ATOM 839 CG2 ILE A 52 -7.480 4.761 -5.841 1.00 2.32 C ATOM 840 CD1 ILE A 52 -8.290 0.996 -5.532 1.00 1.91 C ATOM 0 H ILE A 52 -9.279 3.694 -8.227 1.00 1.61 H new ATOM 0 HA ILE A 52 -6.336 3.771 -8.130 1.00 1.41 H new ATOM 0 HB ILE A 52 -6.496 2.800 -5.967 1.00 1.65 H new ATOM 0 HG12 ILE A 52 -8.845 2.928 -4.769 1.00 1.84 H new ATOM 0 HG13 ILE A 52 -9.439 2.600 -6.385 1.00 1.84 H new ATOM 0 HG21 ILE A 52 -7.568 4.778 -4.755 1.00 2.32 H new ATOM 0 HG22 ILE A 52 -6.579 5.297 -6.140 1.00 2.32 H new ATOM 0 HG23 ILE A 52 -8.352 5.242 -6.283 1.00 2.32 H new ATOM 0 HD11 ILE A 52 -9.171 0.511 -5.110 1.00 1.91 H new ATOM 0 HD12 ILE A 52 -8.050 0.540 -6.493 1.00 1.91 H new ATOM 0 HD13 ILE A 52 -7.447 0.873 -4.852 1.00 1.91 H new ATOM 852 N ASP A 53 -8.146 1.375 -9.182 1.00 1.19 N ATOM 853 CA ASP A 53 -8.132 0.026 -9.747 1.00 1.38 C ATOM 854 C ASP A 53 -7.384 -0.024 -11.087 1.00 1.44 C ATOM 855 O ASP A 53 -6.821 -1.061 -11.431 1.00 1.48 O ATOM 856 CB ASP A 53 -9.543 -0.581 -9.801 1.00 2.05 C ATOM 857 CG ASP A 53 -9.550 -1.971 -9.145 1.00 3.16 C ATOM 858 OD1 ASP A 53 -9.587 -2.020 -7.891 1.00 4.58 O ATOM 859 OD2 ASP A 53 -9.496 -2.985 -9.876 1.00 3.36 O ATOM 0 H ASP A 53 -8.971 1.920 -9.435 1.00 1.19 H new ATOM 0 HA ASP A 53 -7.563 -0.614 -9.073 1.00 1.38 H new ATOM 0 HB2 ASP A 53 -10.248 0.074 -9.289 1.00 2.05 H new ATOM 0 HB3 ASP A 53 -9.874 -0.658 -10.837 1.00 2.05 H new ATOM 864 N ASP A 54 -7.238 1.115 -11.782 1.00 1.60 N ATOM 865 CA ASP A 54 -6.138 1.309 -12.741 1.00 1.67 C ATOM 866 C ASP A 54 -4.782 1.063 -12.065 1.00 1.49 C ATOM 867 O ASP A 54 -3.971 0.293 -12.576 1.00 1.58 O ATOM 868 CB ASP A 54 -6.165 2.731 -13.331 1.00 1.91 C ATOM 869 CG ASP A 54 -4.953 2.962 -14.252 1.00 2.02 C ATOM 870 OD1 ASP A 54 -5.009 2.517 -15.421 1.00 2.86 O ATOM 871 OD2 ASP A 54 -3.967 3.564 -13.774 1.00 2.23 O ATOM 0 H ASP A 54 -7.866 1.914 -11.698 1.00 1.60 H new ATOM 0 HA ASP A 54 -6.273 0.589 -13.548 1.00 1.67 H new ATOM 0 HB2 ASP A 54 -7.088 2.880 -13.892 1.00 1.91 H new ATOM 0 HB3 ASP A 54 -6.160 3.465 -12.525 1.00 1.91 H new ATOM 876 N LEU A 55 -4.548 1.653 -10.882 1.00 1.28 N ATOM 877 CA LEU A 55 -3.293 1.495 -10.142 1.00 1.11 C ATOM 878 C LEU A 55 -3.104 0.027 -9.753 1.00 0.97 C ATOM 879 O LEU A 55 -2.029 -0.526 -9.996 1.00 1.00 O ATOM 880 CB LEU A 55 -3.233 2.430 -8.913 1.00 1.03 C ATOM 881 CG LEU A 55 -3.545 3.916 -9.167 1.00 1.32 C ATOM 882 CD1 LEU A 55 -3.524 4.674 -7.831 1.00 1.40 C ATOM 883 CD2 LEU A 55 -2.550 4.542 -10.154 1.00 1.55 C ATOM 0 H LEU A 55 -5.227 2.253 -10.414 1.00 1.28 H new ATOM 0 HA LEU A 55 -2.467 1.788 -10.790 1.00 1.11 H new ATOM 0 HB2 LEU A 55 -3.933 2.057 -8.166 1.00 1.03 H new ATOM 0 HB3 LEU A 55 -2.236 2.360 -8.479 1.00 1.03 H new ATOM 0 HG LEU A 55 -4.536 3.989 -9.616 1.00 1.32 H new ATOM 0 HD11 LEU A 55 -3.745 5.727 -8.007 1.00 1.40 H new ATOM 0 HD12 LEU A 55 -4.274 4.253 -7.162 1.00 1.40 H new ATOM 0 HD13 LEU A 55 -2.538 4.581 -7.375 1.00 1.40 H new ATOM 0 HD21 LEU A 55 -2.802 5.591 -10.309 1.00 1.55 H new ATOM 0 HD22 LEU A 55 -1.541 4.467 -9.750 1.00 1.55 H new ATOM 0 HD23 LEU A 55 -2.600 4.013 -11.106 1.00 1.55 H new ATOM 895 N MET A 56 -4.158 -0.632 -9.247 1.00 0.94 N ATOM 896 CA MET A 56 -4.176 -2.081 -8.991 1.00 1.02 C ATOM 897 C MET A 56 -3.731 -2.858 -10.228 1.00 1.17 C ATOM 898 O MET A 56 -2.755 -3.608 -10.173 1.00 1.26 O ATOM 899 CB MET A 56 -5.582 -2.556 -8.593 1.00 1.10 C ATOM 900 CG MET A 56 -6.044 -2.044 -7.232 1.00 1.09 C ATOM 901 SD MET A 56 -5.725 -3.234 -5.925 1.00 1.61 S ATOM 902 CE MET A 56 -4.159 -2.646 -5.269 1.00 1.53 C ATOM 0 H MET A 56 -5.032 -0.168 -9.001 1.00 0.94 H new ATOM 0 HA MET A 56 -3.484 -2.270 -8.170 1.00 1.02 H new ATOM 0 HB2 MET A 56 -6.293 -2.232 -9.353 1.00 1.10 H new ATOM 0 HB3 MET A 56 -5.598 -3.646 -8.585 1.00 1.10 H new ATOM 0 HG2 MET A 56 -5.533 -1.108 -7.004 1.00 1.09 H new ATOM 0 HG3 MET A 56 -7.111 -1.824 -7.270 1.00 1.09 H new ATOM 0 HE1 MET A 56 -4.070 -2.938 -4.222 1.00 1.53 H new ATOM 0 HE2 MET A 56 -3.339 -3.084 -5.838 1.00 1.53 H new ATOM 0 HE3 MET A 56 -4.116 -1.560 -5.348 1.00 1.53 H new ATOM 912 N LYS A 57 -4.402 -2.652 -11.365 1.00 1.41 N ATOM 913 CA LYS A 57 -4.090 -3.354 -12.612 1.00 1.72 C ATOM 914 C LYS A 57 -2.819 -2.856 -13.318 1.00 1.56 C ATOM 915 O LYS A 57 -2.341 -3.452 -14.282 1.00 1.60 O ATOM 916 CB LYS A 57 -5.325 -3.397 -13.525 1.00 2.37 C ATOM 917 CG LYS A 57 -5.683 -4.851 -13.865 1.00 3.33 C ATOM 918 CD LYS A 57 -4.621 -5.535 -14.740 1.00 4.08 C ATOM 919 CE LYS A 57 -5.032 -6.961 -15.143 1.00 5.43 C ATOM 920 NZ LYS A 57 -4.547 -8.000 -14.196 1.00 6.89 N ATOM 0 H LYS A 57 -5.177 -1.994 -11.446 1.00 1.41 H new ATOM 0 HA LYS A 57 -3.839 -4.380 -12.344 1.00 1.72 H new ATOM 0 HB2 LYS A 57 -6.168 -2.913 -13.032 1.00 2.37 H new ATOM 0 HB3 LYS A 57 -5.129 -2.839 -14.441 1.00 2.37 H new ATOM 0 HG2 LYS A 57 -5.805 -5.416 -12.941 1.00 3.33 H new ATOM 0 HG3 LYS A 57 -6.643 -4.873 -14.382 1.00 3.33 H new ATOM 0 HD2 LYS A 57 -4.453 -4.940 -15.637 1.00 4.08 H new ATOM 0 HD3 LYS A 57 -3.675 -5.570 -14.200 1.00 4.08 H new ATOM 0 HE2 LYS A 57 -6.119 -7.015 -15.206 1.00 5.43 H new ATOM 0 HE3 LYS A 57 -4.644 -7.176 -16.139 1.00 5.43 H new ATOM 0 HZ1 LYS A 57 -4.953 -8.922 -14.454 1.00 6.89 H new ATOM 0 HZ2 LYS A 57 -3.509 -8.054 -14.241 1.00 6.89 H new ATOM 0 HZ3 LYS A 57 -4.839 -7.752 -13.229 1.00 6.89 H new ATOM 934 N SER A 58 -2.203 -1.812 -12.803 1.00 1.49 N ATOM 935 CA SER A 58 -0.874 -1.356 -13.202 1.00 1.49 C ATOM 936 C SER A 58 0.268 -2.219 -12.634 1.00 1.44 C ATOM 937 O SER A 58 1.283 -2.388 -13.316 1.00 1.62 O ATOM 938 CB SER A 58 -0.670 0.142 -12.943 1.00 1.49 C ATOM 939 OG SER A 58 0.174 0.682 -13.954 1.00 1.84 O ATOM 0 H SER A 58 -2.620 -1.235 -12.073 1.00 1.49 H new ATOM 0 HA SER A 58 -0.827 -1.495 -14.282 1.00 1.49 H new ATOM 0 HB2 SER A 58 -1.631 0.657 -12.941 1.00 1.49 H new ATOM 0 HB3 SER A 58 -0.224 0.296 -11.960 1.00 1.49 H new ATOM 0 HG SER A 58 0.306 1.640 -13.793 1.00 1.84 H new ATOM 945 N LEU A 59 0.062 -2.815 -11.448 1.00 1.31 N ATOM 946 CA LEU A 59 0.901 -3.837 -10.789 1.00 1.28 C ATOM 947 C LEU A 59 0.506 -5.255 -11.240 1.00 1.45 C ATOM 948 O LEU A 59 1.334 -6.018 -11.741 1.00 1.55 O ATOM 949 CB LEU A 59 0.710 -3.659 -9.262 1.00 1.16 C ATOM 950 CG LEU A 59 1.092 -2.280 -8.679 1.00 1.28 C ATOM 951 CD1 LEU A 59 0.981 -2.346 -7.147 1.00 1.50 C ATOM 952 CD2 LEU A 59 2.502 -1.827 -9.085 1.00 1.57 C ATOM 0 H LEU A 59 -0.753 -2.580 -10.882 1.00 1.31 H new ATOM 0 HA LEU A 59 1.949 -3.711 -11.062 1.00 1.28 H new ATOM 0 HB2 LEU A 59 -0.336 -3.853 -9.023 1.00 1.16 H new ATOM 0 HB3 LEU A 59 1.300 -4.421 -8.753 1.00 1.16 H new ATOM 0 HG LEU A 59 0.402 -1.542 -9.088 1.00 1.28 H new ATOM 0 HD11 LEU A 59 1.248 -1.379 -6.721 1.00 1.50 H new ATOM 0 HD12 LEU A 59 -0.042 -2.596 -6.867 1.00 1.50 H new ATOM 0 HD13 LEU A 59 1.659 -3.110 -6.766 1.00 1.50 H new ATOM 0 HD21 LEU A 59 2.712 -0.852 -8.645 1.00 1.57 H new ATOM 0 HD22 LEU A 59 3.234 -2.551 -8.728 1.00 1.57 H new ATOM 0 HD23 LEU A 59 2.563 -1.755 -10.171 1.00 1.57 H new ATOM 964 N ASP A 60 -0.792 -5.563 -11.169 1.00 1.66 N ATOM 965 CA ASP A 60 -1.436 -6.794 -11.666 1.00 2.01 C ATOM 966 C ASP A 60 -1.327 -6.934 -13.208 1.00 2.20 C ATOM 967 O ASP A 60 -1.780 -7.913 -13.797 1.00 2.58 O ATOM 968 CB ASP A 60 -2.905 -6.766 -11.195 1.00 2.39 C ATOM 969 CG ASP A 60 -3.494 -8.116 -10.794 1.00 2.94 C ATOM 970 OD1 ASP A 60 -3.299 -8.537 -9.629 1.00 4.11 O ATOM 971 OD2 ASP A 60 -4.259 -8.647 -11.630 1.00 2.99 O ATOM 0 H ASP A 60 -1.464 -4.927 -10.740 1.00 1.66 H new ATOM 0 HA ASP A 60 -0.925 -7.668 -11.263 1.00 2.01 H new ATOM 0 HB2 ASP A 60 -2.982 -6.089 -10.344 1.00 2.39 H new ATOM 0 HB3 ASP A 60 -3.516 -6.346 -11.994 1.00 2.39 H new ATOM 976 N LYS A 61 -0.769 -5.924 -13.887 1.00 2.13 N ATOM 977 CA LYS A 61 -0.336 -5.892 -15.287 1.00 2.35 C ATOM 978 C LYS A 61 0.490 -7.122 -15.704 1.00 2.78 C ATOM 979 O LYS A 61 0.251 -7.689 -16.766 1.00 3.33 O ATOM 980 CB LYS A 61 0.532 -4.623 -15.403 1.00 2.31 C ATOM 981 CG LYS A 61 0.975 -4.206 -16.812 1.00 2.59 C ATOM 982 CD LYS A 61 0.035 -3.215 -17.503 1.00 2.43 C ATOM 983 CE LYS A 61 -0.228 -1.901 -16.748 1.00 2.63 C ATOM 984 NZ LYS A 61 0.968 -1.316 -16.072 1.00 3.60 N ATOM 0 H LYS A 61 -0.594 -5.030 -13.429 1.00 2.13 H new ATOM 0 HA LYS A 61 -1.205 -5.894 -15.945 1.00 2.35 H new ATOM 0 HB2 LYS A 61 -0.021 -3.793 -14.963 1.00 2.31 H new ATOM 0 HB3 LYS A 61 1.426 -4.768 -14.796 1.00 2.31 H new ATOM 0 HG2 LYS A 61 1.969 -3.763 -16.751 1.00 2.59 H new ATOM 0 HG3 LYS A 61 1.061 -5.099 -17.432 1.00 2.59 H new ATOM 0 HD2 LYS A 61 0.449 -2.973 -18.482 1.00 2.43 H new ATOM 0 HD3 LYS A 61 -0.921 -3.710 -17.675 1.00 2.43 H new ATOM 0 HE2 LYS A 61 -0.625 -1.168 -17.450 1.00 2.63 H new ATOM 0 HE3 LYS A 61 -1.001 -2.077 -16.000 1.00 2.63 H new ATOM 0 HZ1 LYS A 61 0.685 -0.472 -15.534 1.00 3.60 H new ATOM 0 HZ2 LYS A 61 1.378 -2.018 -15.424 1.00 3.60 H new ATOM 0 HZ3 LYS A 61 1.675 -1.050 -16.787 1.00 3.60 H new ATOM 998 N ASN A 62 1.476 -7.471 -14.875 1.00 2.62 N ATOM 999 CA ASN A 62 2.491 -8.497 -15.144 1.00 2.90 C ATOM 1000 C ASN A 62 2.854 -9.341 -13.914 1.00 2.59 C ATOM 1001 O ASN A 62 3.437 -10.406 -14.070 1.00 3.28 O ATOM 1002 CB ASN A 62 3.757 -7.808 -15.673 1.00 3.15 C ATOM 1003 CG ASN A 62 3.542 -7.230 -17.057 1.00 3.70 C ATOM 1004 OD1 ASN A 62 3.512 -6.023 -17.246 1.00 3.46 O ATOM 1005 ND2 ASN A 62 3.337 -8.084 -18.041 1.00 4.90 N ATOM 0 H ASN A 62 1.596 -7.031 -13.963 1.00 2.62 H new ATOM 0 HA ASN A 62 2.067 -9.183 -15.878 1.00 2.90 H new ATOM 0 HB2 ASN A 62 4.052 -7.013 -14.988 1.00 3.15 H new ATOM 0 HB3 ASN A 62 4.577 -8.525 -15.701 1.00 3.15 H new ATOM 0 HD21 ASN A 62 3.149 -7.741 -18.983 1.00 4.90 H new ATOM 0 HD22 ASN A 62 3.367 -9.087 -17.860 1.00 4.90 H new ATOM 1012 N SER A 63 2.537 -8.855 -12.713 1.00 1.93 N ATOM 1013 CA SER A 63 2.177 -9.649 -11.524 1.00 1.88 C ATOM 1014 C SER A 63 3.311 -10.325 -10.764 1.00 1.66 C ATOM 1015 O SER A 63 3.300 -10.264 -9.542 1.00 1.63 O ATOM 1016 CB SER A 63 1.119 -10.710 -11.853 1.00 2.25 C ATOM 1017 OG SER A 63 -0.101 -10.062 -12.168 1.00 2.30 O ATOM 0 H SER A 63 2.522 -7.852 -12.528 1.00 1.93 H new ATOM 0 HA SER A 63 1.793 -8.881 -10.853 1.00 1.88 H new ATOM 0 HB2 SER A 63 1.448 -11.322 -12.693 1.00 2.25 H new ATOM 0 HB3 SER A 63 0.981 -11.380 -11.005 1.00 2.25 H new ATOM 0 HG SER A 63 -0.782 -10.733 -12.381 1.00 2.30 H new ATOM 1023 N ASP A 64 4.290 -10.919 -11.439 1.00 1.69 N ATOM 1024 CA ASP A 64 5.199 -11.912 -10.846 1.00 1.75 C ATOM 1025 C ASP A 64 6.670 -11.500 -10.978 1.00 1.49 C ATOM 1026 O ASP A 64 7.588 -12.156 -10.496 1.00 1.94 O ATOM 1027 CB ASP A 64 4.842 -13.281 -11.432 1.00 2.42 C ATOM 1028 CG ASP A 64 3.397 -13.622 -11.025 1.00 3.27 C ATOM 1029 OD1 ASP A 64 3.167 -13.764 -9.802 1.00 4.42 O ATOM 1030 OD2 ASP A 64 2.523 -13.649 -11.917 1.00 3.40 O ATOM 0 H ASP A 64 4.482 -10.728 -12.422 1.00 1.69 H new ATOM 0 HA ASP A 64 5.065 -11.974 -9.766 1.00 1.75 H new ATOM 0 HB2 ASP A 64 4.936 -13.265 -12.518 1.00 2.42 H new ATOM 0 HB3 ASP A 64 5.530 -14.042 -11.063 1.00 2.42 H new ATOM 1035 N GLN A 65 6.848 -10.310 -11.540 1.00 1.32 N ATOM 1036 CA GLN A 65 7.964 -9.411 -11.303 1.00 1.20 C ATOM 1037 C GLN A 65 7.933 -8.878 -9.870 1.00 1.01 C ATOM 1038 O GLN A 65 6.856 -8.656 -9.313 1.00 0.99 O ATOM 1039 CB GLN A 65 7.892 -8.186 -12.240 1.00 1.43 C ATOM 1040 CG GLN A 65 6.596 -7.974 -13.056 1.00 2.09 C ATOM 1041 CD GLN A 65 6.483 -6.559 -13.623 1.00 2.57 C ATOM 1042 OE1 GLN A 65 5.560 -5.820 -13.337 1.00 3.35 O ATOM 1043 NE2 GLN A 65 7.405 -6.111 -14.450 1.00 2.98 N ATOM 0 H GLN A 65 6.179 -9.929 -12.209 1.00 1.32 H new ATOM 0 HA GLN A 65 8.875 -9.981 -11.485 1.00 1.20 H new ATOM 0 HB2 GLN A 65 8.057 -7.293 -11.637 1.00 1.43 H new ATOM 0 HB3 GLN A 65 8.722 -8.253 -12.943 1.00 1.43 H new ATOM 0 HG2 GLN A 65 6.565 -8.693 -13.875 1.00 2.09 H new ATOM 0 HG3 GLN A 65 5.734 -8.177 -12.421 1.00 2.09 H new ATOM 0 HE21 GLN A 65 8.191 -6.707 -14.709 1.00 2.98 H new ATOM 0 HE22 GLN A 65 7.333 -5.168 -14.832 1.00 2.98 H new ATOM 1052 N GLU A 66 9.109 -8.557 -9.332 1.00 0.95 N ATOM 1053 CA GLU A 66 9.239 -7.999 -7.993 1.00 0.90 C ATOM 1054 C GLU A 66 8.880 -6.502 -7.914 1.00 1.08 C ATOM 1055 O GLU A 66 8.909 -5.784 -8.914 1.00 1.41 O ATOM 1056 CB GLU A 66 10.653 -8.264 -7.442 1.00 0.95 C ATOM 1057 CG GLU A 66 10.941 -9.758 -7.225 1.00 0.97 C ATOM 1058 CD GLU A 66 12.407 -9.992 -6.854 1.00 1.50 C ATOM 1059 OE1 GLU A 66 12.746 -9.768 -5.670 1.00 2.00 O ATOM 1060 OE2 GLU A 66 13.173 -10.387 -7.758 1.00 2.77 O ATOM 0 H GLU A 66 9.999 -8.678 -9.816 1.00 0.95 H new ATOM 0 HA GLU A 66 8.508 -8.510 -7.366 1.00 0.90 H new ATOM 0 HB2 GLU A 66 11.389 -7.854 -8.133 1.00 0.95 H new ATOM 0 HB3 GLU A 66 10.774 -7.735 -6.497 1.00 0.95 H new ATOM 0 HG2 GLU A 66 10.297 -10.144 -6.435 1.00 0.97 H new ATOM 0 HG3 GLU A 66 10.700 -10.313 -8.132 1.00 0.97 H new ATOM 1067 N ILE A 67 8.521 -6.062 -6.703 1.00 0.95 N ATOM 1068 CA ILE A 67 8.420 -4.679 -6.206 1.00 1.02 C ATOM 1069 C ILE A 67 9.392 -4.465 -5.039 1.00 1.05 C ATOM 1070 O ILE A 67 9.506 -5.321 -4.163 1.00 0.97 O ATOM 1071 CB ILE A 67 6.976 -4.378 -5.715 1.00 0.96 C ATOM 1072 CG1 ILE A 67 6.061 -4.185 -6.923 1.00 1.70 C ATOM 1073 CG2 ILE A 67 6.915 -3.117 -4.845 1.00 1.86 C ATOM 1074 CD1 ILE A 67 4.564 -4.090 -6.649 1.00 1.86 C ATOM 0 H ILE A 67 8.269 -6.728 -5.973 1.00 0.95 H new ATOM 0 HA ILE A 67 8.671 -4.007 -7.026 1.00 1.02 H new ATOM 0 HB ILE A 67 6.651 -5.225 -5.111 1.00 0.96 H new ATOM 0 HG12 ILE A 67 6.369 -3.276 -7.440 1.00 1.70 H new ATOM 0 HG13 ILE A 67 6.228 -5.014 -7.610 1.00 1.70 H new ATOM 0 HG21 ILE A 67 5.887 -2.945 -4.525 1.00 1.86 H new ATOM 0 HG22 ILE A 67 7.551 -3.248 -3.970 1.00 1.86 H new ATOM 0 HG23 ILE A 67 7.263 -2.260 -5.422 1.00 1.86 H new ATOM 0 HD11 ILE A 67 4.030 -3.954 -7.589 1.00 1.86 H new ATOM 0 HD12 ILE A 67 4.223 -5.007 -6.167 1.00 1.86 H new ATOM 0 HD13 ILE A 67 4.367 -3.241 -5.994 1.00 1.86 H new ATOM 1086 N ASP A 68 9.980 -3.267 -4.987 1.00 1.33 N ATOM 1087 CA ASP A 68 10.688 -2.677 -3.837 1.00 1.55 C ATOM 1088 C ASP A 68 9.737 -1.828 -2.963 1.00 1.50 C ATOM 1089 O ASP A 68 8.856 -1.119 -3.461 1.00 1.71 O ATOM 1090 CB ASP A 68 11.850 -1.830 -4.403 1.00 2.01 C ATOM 1091 CG ASP A 68 12.750 -1.105 -3.383 1.00 1.34 C ATOM 1092 OD1 ASP A 68 12.245 -0.280 -2.589 1.00 1.50 O ATOM 1093 OD2 ASP A 68 13.996 -1.228 -3.466 1.00 2.62 O ATOM 0 H ASP A 68 9.977 -2.642 -5.793 1.00 1.33 H new ATOM 0 HA ASP A 68 11.074 -3.460 -3.184 1.00 1.55 H new ATOM 0 HB2 ASP A 68 12.481 -2.482 -5.008 1.00 2.01 H new ATOM 0 HB3 ASP A 68 11.428 -1.082 -5.074 1.00 2.01 H new ATOM 1098 N PHE A 69 9.981 -1.836 -1.645 1.00 1.34 N ATOM 1099 CA PHE A 69 9.311 -1.039 -0.595 1.00 1.29 C ATOM 1100 C PHE A 69 9.040 0.451 -0.937 1.00 1.22 C ATOM 1101 O PHE A 69 8.177 1.092 -0.342 1.00 1.17 O ATOM 1102 CB PHE A 69 10.180 -1.135 0.673 1.00 1.38 C ATOM 1103 CG PHE A 69 9.420 -1.145 1.989 1.00 1.33 C ATOM 1104 CD1 PHE A 69 8.888 0.041 2.536 1.00 2.61 C ATOM 1105 CD2 PHE A 69 9.271 -2.359 2.692 1.00 2.14 C ATOM 1106 CE1 PHE A 69 8.236 0.023 3.780 1.00 3.06 C ATOM 1107 CE2 PHE A 69 8.626 -2.375 3.941 1.00 2.66 C ATOM 1108 CZ PHE A 69 8.123 -1.184 4.491 1.00 2.60 C ATOM 0 H PHE A 69 10.702 -2.441 -1.252 1.00 1.34 H new ATOM 0 HA PHE A 69 8.315 -1.463 -0.468 1.00 1.29 H new ATOM 0 HB2 PHE A 69 10.780 -2.043 0.613 1.00 1.38 H new ATOM 0 HB3 PHE A 69 10.874 -0.295 0.681 1.00 1.38 H new ATOM 0 HD1 PHE A 69 8.983 0.970 1.994 1.00 2.61 H new ATOM 0 HD2 PHE A 69 9.653 -3.277 2.270 1.00 2.14 H new ATOM 0 HE1 PHE A 69 7.823 0.933 4.189 1.00 3.06 H new ATOM 0 HE2 PHE A 69 8.517 -3.305 4.479 1.00 2.66 H new ATOM 0 HZ PHE A 69 7.649 -1.196 5.461 1.00 2.60 H new ATOM 1118 N LYS A 70 9.749 1.035 -1.904 1.00 1.25 N ATOM 1119 CA LYS A 70 9.529 2.389 -2.414 1.00 1.26 C ATOM 1120 C LYS A 70 8.223 2.501 -3.202 1.00 1.11 C ATOM 1121 O LYS A 70 7.447 3.429 -2.956 1.00 1.08 O ATOM 1122 CB LYS A 70 10.710 2.718 -3.324 1.00 1.45 C ATOM 1123 CG LYS A 70 12.013 2.881 -2.567 1.00 1.60 C ATOM 1124 CD LYS A 70 13.161 2.709 -3.569 1.00 2.10 C ATOM 1125 CE LYS A 70 14.412 2.534 -2.734 1.00 2.95 C ATOM 1126 NZ LYS A 70 14.527 1.146 -2.220 1.00 3.68 N ATOM 0 H LYS A 70 10.521 0.560 -2.371 1.00 1.25 H new ATOM 0 HA LYS A 70 9.452 3.086 -1.579 1.00 1.26 H new ATOM 0 HB2 LYS A 70 10.823 1.926 -4.064 1.00 1.45 H new ATOM 0 HB3 LYS A 70 10.496 3.637 -3.870 1.00 1.45 H new ATOM 0 HG2 LYS A 70 12.061 3.863 -2.096 1.00 1.60 H new ATOM 0 HG3 LYS A 70 12.087 2.141 -1.770 1.00 1.60 H new ATOM 0 HD2 LYS A 70 12.994 1.844 -4.210 1.00 2.10 H new ATOM 0 HD3 LYS A 70 13.244 3.578 -4.222 1.00 2.10 H new ATOM 0 HE2 LYS A 70 15.289 2.776 -3.334 1.00 2.95 H new ATOM 0 HE3 LYS A 70 14.395 3.233 -1.898 1.00 2.95 H new ATOM 0 HZ1 LYS A 70 15.103 1.143 -1.354 1.00 3.68 H new ATOM 0 HZ2 LYS A 70 13.579 0.775 -2.006 1.00 3.68 H new ATOM 0 HZ3 LYS A 70 14.979 0.546 -2.939 1.00 3.68 H new ATOM 1140 N GLU A 71 7.965 1.548 -4.108 1.00 1.05 N ATOM 1141 CA GLU A 71 6.699 1.488 -4.837 1.00 0.93 C ATOM 1142 C GLU A 71 5.549 1.316 -3.841 1.00 0.78 C ATOM 1143 O GLU A 71 4.494 1.915 -3.982 1.00 0.76 O ATOM 1144 CB GLU A 71 6.631 0.362 -5.877 1.00 1.07 C ATOM 1145 CG GLU A 71 7.893 0.159 -6.729 1.00 1.08 C ATOM 1146 CD GLU A 71 7.637 -0.816 -7.887 1.00 1.99 C ATOM 1147 OE1 GLU A 71 6.660 -0.633 -8.645 1.00 2.66 O ATOM 1148 OE2 GLU A 71 8.405 -1.792 -8.027 1.00 3.02 O ATOM 0 H GLU A 71 8.622 0.807 -4.351 1.00 1.05 H new ATOM 0 HA GLU A 71 6.617 2.426 -5.386 1.00 0.93 H new ATOM 0 HB2 GLU A 71 6.411 -0.572 -5.359 1.00 1.07 H new ATOM 0 HB3 GLU A 71 5.793 0.561 -6.545 1.00 1.07 H new ATOM 0 HG2 GLU A 71 8.224 1.119 -7.126 1.00 1.08 H new ATOM 0 HG3 GLU A 71 8.699 -0.222 -6.102 1.00 1.08 H new ATOM 1155 N TYR A 72 5.790 0.564 -2.762 1.00 0.76 N ATOM 1156 CA TYR A 72 4.794 0.266 -1.727 1.00 0.66 C ATOM 1157 C TYR A 72 4.366 1.528 -0.967 1.00 0.65 C ATOM 1158 O TYR A 72 3.173 1.801 -0.812 1.00 0.55 O ATOM 1159 CB TYR A 72 5.400 -0.800 -0.803 1.00 0.77 C ATOM 1160 CG TYR A 72 4.740 -1.080 0.534 1.00 0.79 C ATOM 1161 CD1 TYR A 72 3.340 -1.159 0.671 1.00 1.57 C ATOM 1162 CD2 TYR A 72 5.566 -1.378 1.636 1.00 1.90 C ATOM 1163 CE1 TYR A 72 2.778 -1.607 1.882 1.00 1.61 C ATOM 1164 CE2 TYR A 72 5.007 -1.786 2.857 1.00 1.99 C ATOM 1165 CZ TYR A 72 3.610 -1.924 2.976 1.00 1.04 C ATOM 1166 OH TYR A 72 3.078 -2.410 4.127 1.00 1.23 O ATOM 0 H TYR A 72 6.699 0.138 -2.580 1.00 0.76 H new ATOM 0 HA TYR A 72 3.878 -0.116 -2.178 1.00 0.66 H new ATOM 0 HB2 TYR A 72 5.429 -1.738 -1.358 1.00 0.77 H new ATOM 0 HB3 TYR A 72 6.433 -0.515 -0.606 1.00 0.77 H new ATOM 0 HD1 TYR A 72 2.699 -0.877 -0.151 1.00 1.57 H new ATOM 0 HD2 TYR A 72 6.638 -1.292 1.540 1.00 1.90 H new ATOM 0 HE1 TYR A 72 1.707 -1.708 1.973 1.00 1.61 H new ATOM 0 HE2 TYR A 72 5.646 -1.994 3.703 1.00 1.99 H new ATOM 0 HH TYR A 72 3.800 -2.681 4.732 1.00 1.23 H new ATOM 1176 N SER A 73 5.330 2.342 -0.542 1.00 0.80 N ATOM 1177 CA SER A 73 5.061 3.597 0.153 1.00 0.87 C ATOM 1178 C SER A 73 4.525 4.700 -0.768 1.00 0.88 C ATOM 1179 O SER A 73 3.603 5.394 -0.336 1.00 0.90 O ATOM 1180 CB SER A 73 6.304 4.033 0.921 1.00 0.93 C ATOM 1181 OG SER A 73 7.448 4.073 0.099 1.00 1.50 O ATOM 0 H SER A 73 6.323 2.148 -0.671 1.00 0.80 H new ATOM 0 HA SER A 73 4.255 3.417 0.864 1.00 0.87 H new ATOM 0 HB2 SER A 73 6.135 5.019 1.354 1.00 0.93 H new ATOM 0 HB3 SER A 73 6.477 3.346 1.749 1.00 0.93 H new ATOM 0 HG SER A 73 8.240 4.250 0.649 1.00 1.50 H new ATOM 1187 N VAL A 74 4.994 4.844 -2.021 1.00 0.88 N ATOM 1188 CA VAL A 74 4.378 5.794 -2.977 1.00 0.90 C ATOM 1189 C VAL A 74 2.992 5.359 -3.459 1.00 0.85 C ATOM 1190 O VAL A 74 2.166 6.222 -3.713 1.00 0.91 O ATOM 1191 CB VAL A 74 5.231 6.124 -4.223 1.00 0.96 C ATOM 1192 CG1 VAL A 74 6.583 6.716 -3.832 1.00 1.05 C ATOM 1193 CG2 VAL A 74 5.406 4.970 -5.208 1.00 0.95 C ATOM 0 H VAL A 74 5.787 4.324 -2.396 1.00 0.88 H new ATOM 0 HA VAL A 74 4.299 6.698 -2.373 1.00 0.90 H new ATOM 0 HB VAL A 74 4.652 6.874 -4.762 1.00 0.96 H new ATOM 0 HG11 VAL A 74 7.158 6.936 -4.732 1.00 1.05 H new ATOM 0 HG12 VAL A 74 6.428 7.635 -3.266 1.00 1.05 H new ATOM 0 HG13 VAL A 74 7.130 6.000 -3.219 1.00 1.05 H new ATOM 0 HG21 VAL A 74 6.018 5.298 -6.048 1.00 0.95 H new ATOM 0 HG22 VAL A 74 5.895 4.135 -4.707 1.00 0.95 H new ATOM 0 HG23 VAL A 74 4.429 4.652 -5.573 1.00 0.95 H new ATOM 1203 N PHE A 75 2.704 4.058 -3.566 1.00 0.78 N ATOM 1204 CA PHE A 75 1.392 3.556 -3.980 1.00 0.74 C ATOM 1205 C PHE A 75 0.381 3.708 -2.839 1.00 0.68 C ATOM 1206 O PHE A 75 -0.723 4.198 -3.064 1.00 0.66 O ATOM 1207 CB PHE A 75 1.548 2.107 -4.436 1.00 0.76 C ATOM 1208 CG PHE A 75 0.333 1.502 -5.102 1.00 0.65 C ATOM 1209 CD1 PHE A 75 -0.725 0.998 -4.329 1.00 1.53 C ATOM 1210 CD2 PHE A 75 0.301 1.379 -6.502 1.00 2.11 C ATOM 1211 CE1 PHE A 75 -1.782 0.311 -4.945 1.00 1.63 C ATOM 1212 CE2 PHE A 75 -0.754 0.695 -7.114 1.00 2.02 C ATOM 1213 CZ PHE A 75 -1.798 0.156 -6.342 1.00 0.61 C ATOM 0 H PHE A 75 3.379 3.320 -3.366 1.00 0.78 H new ATOM 0 HA PHE A 75 1.004 4.138 -4.816 1.00 0.74 H new ATOM 0 HB2 PHE A 75 2.387 2.051 -5.129 1.00 0.76 H new ATOM 0 HB3 PHE A 75 1.808 1.498 -3.570 1.00 0.76 H new ATOM 0 HD1 PHE A 75 -0.725 1.139 -3.258 1.00 1.53 H new ATOM 0 HD2 PHE A 75 1.088 1.811 -7.102 1.00 2.11 H new ATOM 0 HE1 PHE A 75 -2.582 -0.098 -4.346 1.00 1.63 H new ATOM 0 HE2 PHE A 75 -0.767 0.580 -8.188 1.00 2.02 H new ATOM 0 HZ PHE A 75 -2.608 -0.375 -6.820 1.00 0.61 H new ATOM 1223 N LEU A 76 0.785 3.422 -1.594 1.00 0.71 N ATOM 1224 CA LEU A 76 0.002 3.793 -0.413 1.00 0.73 C ATOM 1225 C LEU A 76 -0.183 5.310 -0.284 1.00 0.81 C ATOM 1226 O LEU A 76 -1.296 5.741 0.002 1.00 0.80 O ATOM 1227 CB LEU A 76 0.652 3.216 0.857 1.00 0.75 C ATOM 1228 CG LEU A 76 0.461 1.702 1.062 1.00 0.70 C ATOM 1229 CD1 LEU A 76 1.116 1.316 2.397 1.00 0.98 C ATOM 1230 CD2 LEU A 76 -1.023 1.297 1.049 1.00 0.82 C ATOM 0 H LEU A 76 1.654 2.932 -1.381 1.00 0.71 H new ATOM 0 HA LEU A 76 -0.992 3.364 -0.536 1.00 0.73 H new ATOM 0 HB2 LEU A 76 1.720 3.431 0.829 1.00 0.75 H new ATOM 0 HB3 LEU A 76 0.245 3.738 1.723 1.00 0.75 H new ATOM 0 HG LEU A 76 0.932 1.169 0.236 1.00 0.70 H new ATOM 0 HD11 LEU A 76 0.994 0.246 2.566 1.00 0.98 H new ATOM 0 HD12 LEU A 76 2.178 1.560 2.365 1.00 0.98 H new ATOM 0 HD13 LEU A 76 0.641 1.868 3.208 1.00 0.98 H new ATOM 0 HD21 LEU A 76 -1.108 0.220 1.197 1.00 0.82 H new ATOM 0 HD22 LEU A 76 -1.549 1.816 1.850 1.00 0.82 H new ATOM 0 HD23 LEU A 76 -1.465 1.567 0.090 1.00 0.82 H new ATOM 1242 N THR A 77 0.848 6.122 -0.548 1.00 0.92 N ATOM 1243 CA THR A 77 0.768 7.597 -0.505 1.00 0.98 C ATOM 1244 C THR A 77 -0.130 8.153 -1.601 1.00 0.95 C ATOM 1245 O THR A 77 -0.929 9.041 -1.333 1.00 0.99 O ATOM 1246 CB THR A 77 2.159 8.218 -0.590 1.00 1.10 C ATOM 1247 OG1 THR A 77 2.842 7.805 0.557 1.00 1.14 O ATOM 1248 CG2 THR A 77 2.135 9.745 -0.617 1.00 1.24 C ATOM 0 H THR A 77 1.773 5.775 -0.801 1.00 0.92 H new ATOM 0 HA THR A 77 0.321 7.866 0.452 1.00 0.98 H new ATOM 0 HB THR A 77 2.633 7.897 -1.518 1.00 1.10 H new ATOM 0 HG1 THR A 77 3.388 7.019 0.347 1.00 1.14 H new ATOM 0 HG21 THR A 77 3.155 10.124 -0.678 1.00 1.24 H new ATOM 0 HG22 THR A 77 1.569 10.085 -1.485 1.00 1.24 H new ATOM 0 HG23 THR A 77 1.663 10.118 0.292 1.00 1.24 H new ATOM 1256 N MET A 78 -0.044 7.601 -2.808 1.00 0.90 N ATOM 1257 CA MET A 78 -0.919 7.911 -3.941 1.00 0.89 C ATOM 1258 C MET A 78 -2.383 7.610 -3.608 1.00 0.73 C ATOM 1259 O MET A 78 -3.265 8.405 -3.938 1.00 0.78 O ATOM 1260 CB MET A 78 -0.418 7.125 -5.162 1.00 0.94 C ATOM 1261 CG MET A 78 -1.253 7.362 -6.420 1.00 1.50 C ATOM 1262 SD MET A 78 -0.448 6.902 -7.983 1.00 1.89 S ATOM 1263 CE MET A 78 0.436 5.382 -7.535 1.00 1.49 C ATOM 0 H MET A 78 0.661 6.900 -3.035 1.00 0.90 H new ATOM 0 HA MET A 78 -0.881 8.976 -4.168 1.00 0.89 H new ATOM 0 HB2 MET A 78 0.617 7.402 -5.364 1.00 0.94 H new ATOM 0 HB3 MET A 78 -0.423 6.061 -4.927 1.00 0.94 H new ATOM 0 HG2 MET A 78 -2.183 6.801 -6.330 1.00 1.50 H new ATOM 0 HG3 MET A 78 -1.521 8.418 -6.465 1.00 1.50 H new ATOM 0 HE1 MET A 78 0.790 4.887 -8.439 1.00 1.49 H new ATOM 0 HE2 MET A 78 1.287 5.630 -6.900 1.00 1.49 H new ATOM 0 HE3 MET A 78 -0.237 4.715 -6.996 1.00 1.49 H new ATOM 1273 N LEU A 79 -2.647 6.501 -2.905 1.00 0.60 N ATOM 1274 CA LEU A 79 -3.979 6.190 -2.381 1.00 0.62 C ATOM 1275 C LEU A 79 -4.395 7.216 -1.320 1.00 0.73 C ATOM 1276 O LEU A 79 -5.489 7.768 -1.394 1.00 0.84 O ATOM 1277 CB LEU A 79 -4.015 4.756 -1.805 1.00 0.77 C ATOM 1278 CG LEU A 79 -5.339 3.989 -2.024 1.00 0.89 C ATOM 1279 CD1 LEU A 79 -6.616 4.835 -1.874 1.00 1.94 C ATOM 1280 CD2 LEU A 79 -5.313 3.313 -3.400 1.00 1.74 C ATOM 0 H LEU A 79 -1.943 5.797 -2.685 1.00 0.60 H new ATOM 0 HA LEU A 79 -4.693 6.244 -3.202 1.00 0.62 H new ATOM 0 HB2 LEU A 79 -3.204 4.182 -2.252 1.00 0.77 H new ATOM 0 HB3 LEU A 79 -3.817 4.807 -0.734 1.00 0.77 H new ATOM 0 HG LEU A 79 -5.392 3.252 -1.222 1.00 0.89 H new ATOM 0 HD11 LEU A 79 -7.490 4.208 -2.046 1.00 1.94 H new ATOM 0 HD12 LEU A 79 -6.661 5.251 -0.868 1.00 1.94 H new ATOM 0 HD13 LEU A 79 -6.603 5.646 -2.602 1.00 1.94 H new ATOM 0 HD21 LEU A 79 -6.246 2.771 -3.557 1.00 1.74 H new ATOM 0 HD22 LEU A 79 -5.198 4.070 -4.175 1.00 1.74 H new ATOM 0 HD23 LEU A 79 -4.476 2.616 -3.447 1.00 1.74 H new ATOM 1292 N CYS A 80 -3.511 7.508 -0.364 1.00 0.82 N ATOM 1293 CA CYS A 80 -3.759 8.449 0.728 1.00 1.00 C ATOM 1294 C CYS A 80 -4.070 9.870 0.229 1.00 1.01 C ATOM 1295 O CYS A 80 -5.060 10.464 0.650 1.00 1.15 O ATOM 1296 CB CYS A 80 -2.552 8.393 1.668 1.00 1.19 C ATOM 1297 SG CYS A 80 -3.056 8.926 3.320 1.00 1.33 S ATOM 0 H CYS A 80 -2.583 7.087 -0.327 1.00 0.82 H new ATOM 0 HA CYS A 80 -4.658 8.159 1.272 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -2.153 7.379 1.706 1.00 1.19 H new ATOM 0 HB3 CYS A 80 -1.755 9.035 1.294 1.00 1.19 H new ATOM 0 HG CYS A 80 -4.335 8.743 3.464 1.00 1.33 H new ATOM 1303 N MET A 81 -3.308 10.382 -0.742 1.00 0.96 N ATOM 1304 CA MET A 81 -3.522 11.704 -1.330 1.00 1.02 C ATOM 1305 C MET A 81 -4.790 11.765 -2.185 1.00 1.02 C ATOM 1306 O MET A 81 -5.286 12.858 -2.441 1.00 1.20 O ATOM 1307 CB MET A 81 -2.264 12.192 -2.046 1.00 1.10 C ATOM 1308 CG MET A 81 -2.058 11.574 -3.433 1.00 2.37 C ATOM 1309 SD MET A 81 -0.716 12.335 -4.376 1.00 3.48 S ATOM 1310 CE MET A 81 -1.411 14.008 -4.474 1.00 4.01 C ATOM 0 H MET A 81 -2.516 9.882 -1.146 1.00 0.96 H new ATOM 0 HA MET A 81 -3.705 12.410 -0.520 1.00 1.02 H new ATOM 0 HB2 MET A 81 -2.313 13.276 -2.146 1.00 1.10 H new ATOM 0 HB3 MET A 81 -1.396 11.968 -1.427 1.00 1.10 H new ATOM 0 HG2 MET A 81 -1.852 10.510 -3.320 1.00 2.37 H new ATOM 0 HG3 MET A 81 -2.984 11.661 -4.001 1.00 2.37 H new ATOM 0 HE1 MET A 81 -1.034 14.507 -5.367 1.00 4.01 H new ATOM 0 HE2 MET A 81 -2.498 13.948 -4.524 1.00 4.01 H new ATOM 0 HE3 MET A 81 -1.119 14.576 -3.590 1.00 4.01 H new ATOM 1320 N ALA A 82 -5.359 10.620 -2.579 1.00 0.96 N ATOM 1321 CA ALA A 82 -6.697 10.600 -3.153 1.00 1.20 C ATOM 1322 C ALA A 82 -7.777 11.018 -2.134 1.00 1.54 C ATOM 1323 O ALA A 82 -8.835 11.483 -2.547 1.00 2.09 O ATOM 1324 CB ALA A 82 -6.981 9.229 -3.787 1.00 1.37 C ATOM 0 H ALA A 82 -4.913 9.705 -2.509 1.00 0.96 H new ATOM 0 HA ALA A 82 -6.739 11.348 -3.944 1.00 1.20 H new ATOM 0 HB1 ALA A 82 -7.984 9.226 -4.213 1.00 1.37 H new ATOM 0 HB2 ALA A 82 -6.252 9.034 -4.574 1.00 1.37 H new ATOM 0 HB3 ALA A 82 -6.908 8.453 -3.025 1.00 1.37 H new ATOM 1330 N TYR A 83 -7.543 10.858 -0.822 1.00 1.42 N ATOM 1331 CA TYR A 83 -8.500 11.167 0.254 1.00 1.84 C ATOM 1332 C TYR A 83 -8.029 12.158 1.329 1.00 2.00 C ATOM 1333 O TYR A 83 -8.743 12.375 2.308 1.00 2.54 O ATOM 1334 CB TYR A 83 -9.029 9.870 0.878 1.00 2.32 C ATOM 1335 CG TYR A 83 -8.037 8.979 1.586 1.00 2.52 C ATOM 1336 CD1 TYR A 83 -7.472 9.338 2.822 1.00 3.88 C ATOM 1337 CD2 TYR A 83 -7.749 7.724 1.027 1.00 2.07 C ATOM 1338 CE1 TYR A 83 -6.599 8.454 3.483 1.00 4.12 C ATOM 1339 CE2 TYR A 83 -6.941 6.816 1.705 1.00 2.25 C ATOM 1340 CZ TYR A 83 -6.350 7.167 2.944 1.00 3.00 C ATOM 1341 OH TYR A 83 -5.526 6.271 3.559 1.00 3.27 O ATOM 0 H TYR A 83 -6.656 10.499 -0.469 1.00 1.42 H new ATOM 0 HA TYR A 83 -9.306 11.708 -0.242 1.00 1.84 H new ATOM 0 HB2 TYR A 83 -9.811 10.134 1.590 1.00 2.32 H new ATOM 0 HB3 TYR A 83 -9.501 9.286 0.088 1.00 2.32 H new ATOM 0 HD1 TYR A 83 -7.708 10.294 3.265 1.00 3.88 H new ATOM 0 HD2 TYR A 83 -8.158 7.461 0.063 1.00 2.07 H new ATOM 0 HE1 TYR A 83 -6.118 8.756 4.402 1.00 4.12 H new ATOM 0 HE2 TYR A 83 -6.763 5.837 1.284 1.00 2.25 H new ATOM 0 HH TYR A 83 -4.637 6.668 3.672 1.00 3.27 H new ATOM 1351 N ASN A 84 -6.892 12.836 1.155 1.00 1.93 N ATOM 1352 CA ASN A 84 -6.499 13.924 2.061 1.00 2.29 C ATOM 1353 C ASN A 84 -7.308 15.222 1.846 1.00 1.98 C ATOM 1354 O ASN A 84 -6.991 16.247 2.447 1.00 2.23 O ATOM 1355 CB ASN A 84 -4.971 14.121 2.101 1.00 2.71 C ATOM 1356 CG ASN A 84 -4.108 12.883 2.358 1.00 2.98 C ATOM 1357 OD1 ASN A 84 -3.039 12.750 1.780 1.00 4.79 O ATOM 1358 ND2 ASN A 84 -4.508 11.961 3.213 1.00 2.34 N ATOM 0 H ASN A 84 -6.229 12.654 0.401 1.00 1.93 H new ATOM 0 HA ASN A 84 -6.775 13.610 3.068 1.00 2.29 H new ATOM 0 HB2 ASN A 84 -4.662 14.555 1.150 1.00 2.71 H new ATOM 0 HB3 ASN A 84 -4.746 14.855 2.875 1.00 2.71 H new ATOM 0 HD21 ASN A 84 -3.926 11.142 3.389 1.00 2.34 H new ATOM 0 HD22 ASN A 84 -5.399 12.067 3.698 1.00 2.34 H new ATOM 1365 N ASP A 85 -8.434 15.153 1.119 1.00 1.83 N ATOM 1366 CA ASP A 85 -9.562 16.083 1.288 1.00 1.54 C ATOM 1367 C ASP A 85 -10.074 16.163 2.740 1.00 1.53 C ATOM 1368 O ASP A 85 -10.543 17.216 3.168 1.00 1.66 O ATOM 1369 CB ASP A 85 -10.683 15.739 0.282 1.00 2.05 C ATOM 1370 CG ASP A 85 -11.305 14.332 0.429 1.00 2.82 C ATOM 1371 OD1 ASP A 85 -12.179 14.153 1.303 1.00 3.61 O ATOM 1372 OD2 ASP A 85 -10.940 13.429 -0.364 1.00 3.64 O ATOM 0 H ASP A 85 -8.588 14.450 0.396 1.00 1.83 H new ATOM 0 HA ASP A 85 -9.198 17.087 1.068 1.00 1.54 H new ATOM 0 HB2 ASP A 85 -11.476 16.479 0.383 1.00 2.05 H new ATOM 0 HB3 ASP A 85 -10.283 15.836 -0.727 1.00 2.05 H new ATOM 1377 N PHE A 86 -9.852 15.118 3.548 1.00 1.84 N ATOM 1378 CA PHE A 86 -10.060 15.135 4.997 1.00 2.27 C ATOM 1379 C PHE A 86 -9.238 16.213 5.747 1.00 2.21 C ATOM 1380 O PHE A 86 -9.564 16.521 6.893 1.00 2.67 O ATOM 1381 CB PHE A 86 -9.735 13.737 5.563 1.00 2.78 C ATOM 1382 CG PHE A 86 -10.518 12.535 5.037 1.00 3.41 C ATOM 1383 CD1 PHE A 86 -11.734 12.667 4.335 1.00 3.82 C ATOM 1384 CD2 PHE A 86 -10.018 11.243 5.298 1.00 4.49 C ATOM 1385 CE1 PHE A 86 -12.432 11.527 3.896 1.00 4.79 C ATOM 1386 CE2 PHE A 86 -10.717 10.101 4.866 1.00 5.45 C ATOM 1387 CZ PHE A 86 -11.928 10.241 4.167 1.00 5.43 C ATOM 0 H PHE A 86 -9.516 14.219 3.202 1.00 1.84 H new ATOM 0 HA PHE A 86 -11.105 15.398 5.161 1.00 2.27 H new ATOM 0 HB2 PHE A 86 -8.677 13.546 5.386 1.00 2.78 H new ATOM 0 HB3 PHE A 86 -9.875 13.776 6.643 1.00 2.78 H new ATOM 0 HD1 PHE A 86 -12.132 13.650 4.133 1.00 3.82 H new ATOM 0 HD2 PHE A 86 -9.088 11.129 5.835 1.00 4.49 H new ATOM 0 HE1 PHE A 86 -13.357 11.639 3.350 1.00 4.79 H new ATOM 0 HE2 PHE A 86 -10.323 9.117 5.072 1.00 5.45 H new ATOM 0 HZ PHE A 86 -12.469 9.366 3.839 1.00 5.43 H new ATOM 1397 N PHE A 87 -8.183 16.782 5.147 1.00 1.90 N ATOM 1398 CA PHE A 87 -7.436 17.914 5.720 1.00 2.14 C ATOM 1399 C PHE A 87 -8.067 19.279 5.391 1.00 2.16 C ATOM 1400 O PHE A 87 -7.704 20.270 6.020 1.00 2.77 O ATOM 1401 CB PHE A 87 -5.986 17.912 5.200 1.00 2.60 C ATOM 1402 CG PHE A 87 -5.049 16.787 5.608 1.00 3.13 C ATOM 1403 CD1 PHE A 87 -5.325 15.913 6.680 1.00 3.22 C ATOM 1404 CD2 PHE A 87 -3.818 16.683 4.935 1.00 4.75 C ATOM 1405 CE1 PHE A 87 -4.374 14.950 7.065 1.00 4.02 C ATOM 1406 CE2 PHE A 87 -2.873 15.715 5.312 1.00 5.65 C ATOM 1407 CZ PHE A 87 -3.148 14.850 6.383 1.00 5.00 C ATOM 0 H PHE A 87 -7.821 16.469 4.246 1.00 1.90 H new ATOM 0 HA PHE A 87 -7.464 17.780 6.801 1.00 2.14 H new ATOM 0 HB2 PHE A 87 -6.029 17.923 4.111 1.00 2.60 H new ATOM 0 HB3 PHE A 87 -5.526 18.850 5.511 1.00 2.60 H new ATOM 0 HD1 PHE A 87 -6.266 15.983 7.205 1.00 3.22 H new ATOM 0 HD2 PHE A 87 -3.597 17.355 4.119 1.00 4.75 H new ATOM 0 HE1 PHE A 87 -4.587 14.284 7.888 1.00 4.02 H new ATOM 0 HE2 PHE A 87 -1.937 15.636 4.779 1.00 5.65 H new ATOM 0 HZ PHE A 87 -2.420 14.110 6.682 1.00 5.00 H new ATOM 1417 N LEU A 88 -8.945 19.365 4.386 1.00 1.82 N ATOM 1418 CA LEU A 88 -9.503 20.613 3.865 1.00 2.11 C ATOM 1419 C LEU A 88 -10.775 20.991 4.653 1.00 2.73 C ATOM 1420 O LEU A 88 -10.718 21.066 5.883 1.00 3.16 O ATOM 1421 CB LEU A 88 -9.625 20.470 2.322 1.00 1.84 C ATOM 1422 CG LEU A 88 -8.323 20.674 1.512 1.00 2.24 C ATOM 1423 CD1 LEU A 88 -7.661 22.038 1.781 1.00 3.20 C ATOM 1424 CD2 LEU A 88 -7.280 19.576 1.735 1.00 2.44 C ATOM 0 H LEU A 88 -9.297 18.541 3.899 1.00 1.82 H new ATOM 0 HA LEU A 88 -8.859 21.478 4.021 1.00 2.11 H new ATOM 0 HB2 LEU A 88 -10.015 19.477 2.100 1.00 1.84 H new ATOM 0 HB3 LEU A 88 -10.364 21.189 1.969 1.00 1.84 H new ATOM 0 HG LEU A 88 -8.654 20.629 0.475 1.00 2.24 H new ATOM 0 HD11 LEU A 88 -6.752 22.125 1.186 1.00 3.20 H new ATOM 0 HD12 LEU A 88 -8.351 22.837 1.509 1.00 3.20 H new ATOM 0 HD13 LEU A 88 -7.411 22.119 2.839 1.00 3.20 H new ATOM 0 HD21 LEU A 88 -6.395 19.787 1.134 1.00 2.44 H new ATOM 0 HD22 LEU A 88 -7.004 19.545 2.789 1.00 2.44 H new ATOM 0 HD23 LEU A 88 -7.697 18.613 1.441 1.00 2.44 H new ATOM 1517 N GLU B 2 -11.535 0.121 10.305 1.00 1.76 N ATOM 1518 CA GLU B 2 -10.077 0.125 10.384 1.00 1.60 C ATOM 1519 C GLU B 2 -9.579 -1.314 10.184 1.00 1.38 C ATOM 1520 O GLU B 2 -10.193 -2.274 10.655 1.00 1.96 O ATOM 1521 CB GLU B 2 -9.542 0.765 11.672 1.00 3.07 C ATOM 1522 CG GLU B 2 -10.003 0.125 12.990 1.00 3.78 C ATOM 1523 CD GLU B 2 -9.058 0.578 14.095 1.00 5.20 C ATOM 1524 OE1 GLU B 2 -9.091 1.767 14.478 1.00 5.72 O ATOM 1525 OE2 GLU B 2 -8.133 -0.189 14.439 1.00 6.29 O ATOM 0 HA GLU B 2 -9.682 0.759 9.590 1.00 1.60 H new ATOM 0 HB2 GLU B 2 -8.453 0.738 11.641 1.00 3.07 H new ATOM 0 HB3 GLU B 2 -9.835 1.815 11.680 1.00 3.07 H new ATOM 0 HG2 GLU B 2 -11.026 0.422 13.219 1.00 3.78 H new ATOM 0 HG3 GLU B 2 -9.998 -0.962 12.907 1.00 3.78 H new ATOM 1532 N THR B 3 -8.501 -1.454 9.418 1.00 1.15 N ATOM 1533 CA THR B 3 -7.791 -2.701 9.104 1.00 1.18 C ATOM 1534 C THR B 3 -6.283 -2.438 9.244 1.00 1.43 C ATOM 1535 O THR B 3 -5.879 -1.274 9.148 1.00 1.73 O ATOM 1536 CB THR B 3 -8.183 -3.196 7.704 1.00 1.42 C ATOM 1537 OG1 THR B 3 -7.808 -2.229 6.757 1.00 1.66 O ATOM 1538 CG2 THR B 3 -9.681 -3.456 7.566 1.00 1.82 C ATOM 0 H THR B 3 -8.067 -0.648 8.967 1.00 1.15 H new ATOM 0 HA THR B 3 -8.067 -3.497 9.796 1.00 1.18 H new ATOM 0 HB THR B 3 -7.667 -4.142 7.539 1.00 1.42 H new ATOM 0 HG1 THR B 3 -6.849 -2.306 6.573 1.00 1.66 H new ATOM 0 HG21 THR B 3 -9.898 -3.804 6.556 1.00 1.82 H new ATOM 0 HG22 THR B 3 -9.986 -4.216 8.285 1.00 1.82 H new ATOM 0 HG23 THR B 3 -10.230 -2.534 7.758 1.00 1.82 H new ATOM 1546 N PRO B 4 -5.432 -3.449 9.512 1.00 1.46 N ATOM 1547 CA PRO B 4 -4.135 -3.213 10.140 1.00 1.55 C ATOM 1548 C PRO B 4 -3.152 -2.392 9.294 1.00 1.52 C ATOM 1549 O PRO B 4 -2.383 -1.634 9.880 1.00 1.63 O ATOM 1550 CB PRO B 4 -3.578 -4.589 10.519 1.00 1.68 C ATOM 1551 CG PRO B 4 -4.351 -5.561 9.632 1.00 1.66 C ATOM 1552 CD PRO B 4 -5.706 -4.876 9.448 1.00 1.47 C ATOM 0 HA PRO B 4 -4.274 -2.584 11.019 1.00 1.55 H new ATOM 0 HB2 PRO B 4 -2.505 -4.649 10.336 1.00 1.68 H new ATOM 0 HB3 PRO B 4 -3.733 -4.804 11.576 1.00 1.68 H new ATOM 0 HG2 PRO B 4 -3.849 -5.720 8.678 1.00 1.66 H new ATOM 0 HG3 PRO B 4 -4.456 -6.538 10.104 1.00 1.66 H new ATOM 0 HD2 PRO B 4 -6.156 -5.147 8.493 1.00 1.47 H new ATOM 0 HD3 PRO B 4 -6.407 -5.176 10.227 1.00 1.47 H new ATOM 1560 N LEU B 5 -3.192 -2.459 7.955 1.00 1.42 N ATOM 1561 CA LEU B 5 -2.291 -1.645 7.126 1.00 1.39 C ATOM 1562 C LEU B 5 -2.646 -0.152 7.175 1.00 1.22 C ATOM 1563 O LEU B 5 -1.742 0.676 7.076 1.00 1.41 O ATOM 1564 CB LEU B 5 -2.255 -2.188 5.687 1.00 1.42 C ATOM 1565 CG LEU B 5 -1.237 -1.509 4.742 1.00 1.47 C ATOM 1566 CD1 LEU B 5 0.193 -1.433 5.306 1.00 1.64 C ATOM 1567 CD2 LEU B 5 -1.207 -2.263 3.402 1.00 2.21 C ATOM 0 H LEU B 5 -3.828 -3.059 7.429 1.00 1.42 H new ATOM 0 HA LEU B 5 -1.287 -1.726 7.542 1.00 1.39 H new ATOM 0 HB2 LEU B 5 -2.033 -3.254 5.726 1.00 1.42 H new ATOM 0 HB3 LEU B 5 -3.250 -2.085 5.254 1.00 1.42 H new ATOM 0 HG LEU B 5 -1.576 -0.481 4.618 1.00 1.47 H new ATOM 0 HD11 LEU B 5 0.844 -0.943 4.582 1.00 1.64 H new ATOM 0 HD12 LEU B 5 0.188 -0.862 6.234 1.00 1.64 H new ATOM 0 HD13 LEU B 5 0.561 -2.440 5.502 1.00 1.64 H new ATOM 0 HD21 LEU B 5 -0.490 -1.787 2.733 1.00 2.21 H new ATOM 0 HD22 LEU B 5 -0.912 -3.298 3.573 1.00 2.21 H new ATOM 0 HD23 LEU B 5 -2.198 -2.239 2.949 1.00 2.21 H new ATOM 1579 N GLU B 6 -3.915 0.210 7.395 1.00 1.00 N ATOM 1580 CA GLU B 6 -4.314 1.618 7.538 1.00 1.05 C ATOM 1581 C GLU B 6 -3.614 2.292 8.726 1.00 1.26 C ATOM 1582 O GLU B 6 -3.340 3.485 8.695 1.00 1.30 O ATOM 1583 CB GLU B 6 -5.850 1.728 7.640 1.00 0.99 C ATOM 1584 CG GLU B 6 -6.384 3.140 7.930 1.00 1.42 C ATOM 1585 CD GLU B 6 -5.810 4.230 7.018 1.00 2.74 C ATOM 1586 OE1 GLU B 6 -5.616 3.967 5.814 1.00 3.76 O ATOM 1587 OE2 GLU B 6 -5.497 5.317 7.555 1.00 3.57 O ATOM 0 H GLU B 6 -4.686 -0.453 7.478 1.00 1.00 H new ATOM 0 HA GLU B 6 -3.992 2.155 6.646 1.00 1.05 H new ATOM 0 HB2 GLU B 6 -6.287 1.376 6.706 1.00 0.99 H new ATOM 0 HB3 GLU B 6 -6.196 1.057 8.426 1.00 0.99 H new ATOM 0 HG2 GLU B 6 -7.469 3.133 7.830 1.00 1.42 H new ATOM 0 HG3 GLU B 6 -6.161 3.395 8.966 1.00 1.42 H new ATOM 1594 N LYS B 7 -3.228 1.553 9.773 1.00 1.45 N ATOM 1595 CA LYS B 7 -2.521 2.161 10.913 1.00 1.68 C ATOM 1596 C LYS B 7 -1.139 2.727 10.518 1.00 1.75 C ATOM 1597 O LYS B 7 -0.626 3.603 11.223 1.00 1.92 O ATOM 1598 CB LYS B 7 -2.506 1.189 12.110 1.00 1.90 C ATOM 1599 CG LYS B 7 -3.613 1.439 13.127 1.00 1.77 C ATOM 1600 CD LYS B 7 -5.021 1.223 12.555 1.00 2.18 C ATOM 1601 CE LYS B 7 -5.931 2.277 13.156 1.00 2.56 C ATOM 1602 NZ LYS B 7 -6.412 1.923 14.514 1.00 3.64 N ATOM 0 H LYS B 7 -3.388 0.549 9.857 1.00 1.45 H new ATOM 0 HA LYS B 7 -3.073 3.041 11.243 1.00 1.68 H new ATOM 0 HB2 LYS B 7 -2.593 0.169 11.737 1.00 1.90 H new ATOM 0 HB3 LYS B 7 -1.542 1.263 12.613 1.00 1.90 H new ATOM 0 HG2 LYS B 7 -3.469 0.777 13.981 1.00 1.77 H new ATOM 0 HG3 LYS B 7 -3.532 2.460 13.499 1.00 1.77 H new ATOM 0 HD2 LYS B 7 -5.008 1.304 11.468 1.00 2.18 H new ATOM 0 HD3 LYS B 7 -5.382 0.223 12.796 1.00 2.18 H new ATOM 0 HE2 LYS B 7 -5.397 3.226 13.202 1.00 2.56 H new ATOM 0 HE3 LYS B 7 -6.789 2.425 12.500 1.00 2.56 H new ATOM 0 HZ1 LYS B 7 -7.365 2.315 14.658 1.00 3.64 H new ATOM 0 HZ2 LYS B 7 -6.445 0.888 14.612 1.00 3.64 H new ATOM 0 HZ3 LYS B 7 -5.764 2.318 15.226 1.00 3.64 H new ATOM 1616 N ALA B 8 -0.583 2.337 9.364 1.00 1.68 N ATOM 1617 CA ALA B 8 0.524 3.054 8.743 1.00 1.74 C ATOM 1618 C ALA B 8 0.101 4.447 8.237 1.00 1.36 C ATOM 1619 O ALA B 8 0.699 5.446 8.642 1.00 1.37 O ATOM 1620 CB ALA B 8 1.124 2.185 7.636 1.00 1.97 C ATOM 0 H ALA B 8 -0.891 1.517 8.841 1.00 1.68 H new ATOM 0 HA ALA B 8 1.293 3.241 9.493 1.00 1.74 H new ATOM 0 HB1 ALA B 8 1.953 2.715 7.167 1.00 1.97 H new ATOM 0 HB2 ALA B 8 1.486 1.250 8.063 1.00 1.97 H new ATOM 0 HB3 ALA B 8 0.361 1.970 6.888 1.00 1.97 H new ATOM 1626 N LEU B 9 -0.947 4.531 7.410 1.00 1.07 N ATOM 1627 CA LEU B 9 -1.430 5.776 6.802 1.00 0.88 C ATOM 1628 C LEU B 9 -2.035 6.723 7.841 1.00 0.76 C ATOM 1629 O LEU B 9 -1.561 7.860 7.921 1.00 0.68 O ATOM 1630 CB LEU B 9 -2.441 5.475 5.679 1.00 0.82 C ATOM 1631 CG LEU B 9 -1.878 4.910 4.359 1.00 0.88 C ATOM 1632 CD1 LEU B 9 -0.745 5.785 3.797 1.00 0.93 C ATOM 1633 CD2 LEU B 9 -1.414 3.454 4.500 1.00 1.04 C ATOM 0 H LEU B 9 -1.496 3.715 7.138 1.00 1.07 H new ATOM 0 HA LEU B 9 -0.569 6.283 6.367 1.00 0.88 H new ATOM 0 HB2 LEU B 9 -3.174 4.766 6.065 1.00 0.82 H new ATOM 0 HB3 LEU B 9 -2.977 6.396 5.451 1.00 0.82 H new ATOM 0 HG LEU B 9 -2.703 4.926 3.646 1.00 0.88 H new ATOM 0 HD11 LEU B 9 -0.377 5.351 2.867 1.00 0.93 H new ATOM 0 HD12 LEU B 9 -1.122 6.789 3.604 1.00 0.93 H new ATOM 0 HD13 LEU B 9 0.069 5.836 4.521 1.00 0.93 H new ATOM 0 HD21 LEU B 9 -1.026 3.102 3.544 1.00 1.04 H new ATOM 0 HD22 LEU B 9 -0.630 3.394 5.255 1.00 1.04 H new ATOM 0 HD23 LEU B 9 -2.256 2.831 4.801 1.00 1.04 H new ATOM 1645 N THR B 10 -2.972 6.255 8.683 1.00 0.81 N ATOM 1646 CA THR B 10 -3.537 6.972 9.845 1.00 0.81 C ATOM 1647 C THR B 10 -2.451 7.643 10.675 1.00 0.83 C ATOM 1648 O THR B 10 -2.577 8.829 10.979 1.00 0.77 O ATOM 1649 CB THR B 10 -4.378 6.003 10.686 1.00 1.14 C ATOM 1650 OG1 THR B 10 -5.635 5.873 10.084 1.00 1.07 O ATOM 1651 CG2 THR B 10 -4.658 6.469 12.118 1.00 1.74 C ATOM 0 H THR B 10 -3.376 5.325 8.569 1.00 0.81 H new ATOM 0 HA THR B 10 -4.184 7.771 9.482 1.00 0.81 H new ATOM 0 HB THR B 10 -3.796 5.082 10.733 1.00 1.14 H new ATOM 0 HG1 THR B 10 -5.557 6.048 9.123 1.00 1.07 H new ATOM 0 HG21 THR B 10 -5.258 5.719 12.634 1.00 1.74 H new ATOM 0 HG22 THR B 10 -3.715 6.605 12.647 1.00 1.74 H new ATOM 0 HG23 THR B 10 -5.200 7.414 12.094 1.00 1.74 H new ATOM 1659 N THR B 11 -1.365 6.930 11.001 1.00 0.99 N ATOM 1660 CA THR B 11 -0.223 7.504 11.737 1.00 1.06 C ATOM 1661 C THR B 11 0.494 8.559 10.898 1.00 1.01 C ATOM 1662 O THR B 11 0.728 9.656 11.400 1.00 1.01 O ATOM 1663 CB THR B 11 0.750 6.419 12.199 1.00 1.21 C ATOM 1664 OG1 THR B 11 0.080 5.515 13.036 1.00 1.28 O ATOM 1665 CG2 THR B 11 1.895 6.980 13.042 1.00 1.33 C ATOM 0 H THR B 11 -1.250 5.944 10.765 1.00 0.99 H new ATOM 0 HA THR B 11 -0.619 7.991 12.628 1.00 1.06 H new ATOM 0 HB THR B 11 1.141 5.956 11.293 1.00 1.21 H new ATOM 0 HG1 THR B 11 -0.241 4.755 12.507 1.00 1.28 H new ATOM 0 HG21 THR B 11 2.556 6.168 13.344 1.00 1.33 H new ATOM 0 HG22 THR B 11 2.457 7.706 12.455 1.00 1.33 H new ATOM 0 HG23 THR B 11 1.489 7.466 13.929 1.00 1.33 H new ATOM 1673 N MET B 12 0.809 8.282 9.628 1.00 1.01 N ATOM 1674 CA MET B 12 1.454 9.270 8.742 1.00 0.99 C ATOM 1675 C MET B 12 0.624 10.547 8.573 1.00 0.89 C ATOM 1676 O MET B 12 1.194 11.630 8.625 1.00 1.01 O ATOM 1677 CB MET B 12 1.784 8.654 7.374 1.00 1.07 C ATOM 1678 CG MET B 12 2.956 7.671 7.441 1.00 1.18 C ATOM 1679 SD MET B 12 3.338 6.924 5.833 1.00 1.46 S ATOM 1680 CE MET B 12 5.056 6.420 6.118 1.00 1.14 C ATOM 0 H MET B 12 0.629 7.381 9.185 1.00 1.01 H new ATOM 0 HA MET B 12 2.385 9.559 9.230 1.00 0.99 H new ATOM 0 HB2 MET B 12 0.904 8.139 6.989 1.00 1.07 H new ATOM 0 HB3 MET B 12 2.022 9.450 6.668 1.00 1.07 H new ATOM 0 HG2 MET B 12 3.839 8.190 7.815 1.00 1.18 H new ATOM 0 HG3 MET B 12 2.723 6.883 8.157 1.00 1.18 H new ATOM 0 HE1 MET B 12 5.729 7.160 5.684 1.00 1.14 H new ATOM 0 HE2 MET B 12 5.240 6.346 7.190 1.00 1.14 H new ATOM 0 HE3 MET B 12 5.233 5.451 5.652 1.00 1.14 H new ATOM 1690 N VAL B 13 -0.698 10.461 8.419 1.00 0.73 N ATOM 1691 CA VAL B 13 -1.548 11.664 8.277 1.00 0.71 C ATOM 1692 C VAL B 13 -1.694 12.449 9.595 1.00 0.69 C ATOM 1693 O VAL B 13 -1.614 13.679 9.585 1.00 0.71 O ATOM 1694 CB VAL B 13 -2.931 11.376 7.644 1.00 0.75 C ATOM 1695 CG1 VAL B 13 -2.777 10.866 6.206 1.00 0.80 C ATOM 1696 CG2 VAL B 13 -3.826 10.427 8.446 1.00 0.78 C ATOM 0 H VAL B 13 -1.210 9.579 8.388 1.00 0.73 H new ATOM 0 HA VAL B 13 -1.011 12.300 7.573 1.00 0.71 H new ATOM 0 HB VAL B 13 -3.445 12.337 7.650 1.00 0.75 H new ATOM 0 HG11 VAL B 13 -3.762 10.670 5.782 1.00 0.80 H new ATOM 0 HG12 VAL B 13 -2.266 11.619 5.606 1.00 0.80 H new ATOM 0 HG13 VAL B 13 -2.193 9.946 6.207 1.00 0.80 H new ATOM 0 HG21 VAL B 13 -4.771 10.288 7.921 1.00 0.78 H new ATOM 0 HG22 VAL B 13 -3.328 9.464 8.557 1.00 0.78 H new ATOM 0 HG23 VAL B 13 -4.017 10.853 9.431 1.00 0.78 H new ATOM 1706 N THR B 14 -1.832 11.750 10.734 1.00 0.71 N ATOM 1707 CA THR B 14 -1.952 12.358 12.079 1.00 0.76 C ATOM 1708 C THR B 14 -0.679 13.091 12.497 1.00 0.76 C ATOM 1709 O THR B 14 -0.753 14.083 13.221 1.00 0.92 O ATOM 1710 CB THR B 14 -2.306 11.286 13.120 1.00 0.86 C ATOM 1711 OG1 THR B 14 -3.498 10.658 12.725 1.00 1.06 O ATOM 1712 CG2 THR B 14 -2.561 11.858 14.514 1.00 1.03 C ATOM 0 H THR B 14 -1.864 10.731 10.751 1.00 0.71 H new ATOM 0 HA THR B 14 -2.754 13.095 12.028 1.00 0.76 H new ATOM 0 HB THR B 14 -1.454 10.608 13.171 1.00 0.86 H new ATOM 0 HG1 THR B 14 -3.288 9.858 12.200 1.00 1.06 H new ATOM 0 HG21 THR B 14 -2.806 11.048 15.201 1.00 1.03 H new ATOM 0 HG22 THR B 14 -1.667 12.373 14.865 1.00 1.03 H new ATOM 0 HG23 THR B 14 -3.392 12.562 14.472 1.00 1.03 H new ATOM 1720 N THR B 15 0.482 12.600 12.061 1.00 0.78 N ATOM 1721 CA THR B 15 1.791 13.230 12.287 1.00 0.86 C ATOM 1722 C THR B 15 1.992 14.397 11.333 1.00 0.83 C ATOM 1723 O THR B 15 2.171 15.507 11.814 1.00 0.94 O ATOM 1724 CB THR B 15 2.927 12.208 12.213 1.00 1.02 C ATOM 1725 OG1 THR B 15 2.781 11.408 11.068 1.00 2.01 O ATOM 1726 CG2 THR B 15 2.894 11.268 13.416 1.00 1.47 C ATOM 0 H THR B 15 0.544 11.733 11.528 1.00 0.78 H new ATOM 0 HA THR B 15 1.810 13.632 13.300 1.00 0.86 H new ATOM 0 HB THR B 15 3.863 12.766 12.190 1.00 1.02 H new ATOM 0 HG1 THR B 15 3.531 11.569 10.458 1.00 2.01 H new ATOM 0 HG21 THR B 15 3.711 10.551 13.340 1.00 1.47 H new ATOM 0 HG22 THR B 15 3.003 11.847 14.333 1.00 1.47 H new ATOM 0 HG23 THR B 15 1.944 10.734 13.435 1.00 1.47 H new ATOM 1734 N PHE B 16 1.874 14.181 10.016 1.00 0.80 N ATOM 1735 CA PHE B 16 2.017 15.225 8.990 1.00 0.82 C ATOM 1736 C PHE B 16 1.148 16.459 9.254 1.00 0.75 C ATOM 1737 O PHE B 16 1.644 17.572 9.127 1.00 0.81 O ATOM 1738 CB PHE B 16 1.690 14.637 7.609 1.00 0.91 C ATOM 1739 CG PHE B 16 1.963 15.564 6.433 1.00 0.92 C ATOM 1740 CD1 PHE B 16 0.987 16.487 6.007 1.00 2.05 C ATOM 1741 CD2 PHE B 16 3.193 15.493 5.750 1.00 1.51 C ATOM 1742 CE1 PHE B 16 1.245 17.334 4.913 1.00 2.12 C ATOM 1743 CE2 PHE B 16 3.440 16.326 4.640 1.00 1.47 C ATOM 1744 CZ PHE B 16 2.470 17.256 4.227 1.00 1.03 C ATOM 0 H PHE B 16 1.673 13.260 9.626 1.00 0.80 H new ATOM 0 HA PHE B 16 3.052 15.564 9.024 1.00 0.82 H new ATOM 0 HB2 PHE B 16 2.269 13.723 7.474 1.00 0.91 H new ATOM 0 HB3 PHE B 16 0.638 14.353 7.592 1.00 0.91 H new ATOM 0 HD1 PHE B 16 0.039 16.545 6.521 1.00 2.05 H new ATOM 0 HD2 PHE B 16 3.951 14.797 6.078 1.00 1.51 H new ATOM 0 HE1 PHE B 16 0.498 18.048 4.599 1.00 2.12 H new ATOM 0 HE2 PHE B 16 4.376 16.250 4.106 1.00 1.47 H new ATOM 0 HZ PHE B 16 2.665 17.907 3.387 1.00 1.03 H new ATOM 1754 N HIS B 17 -0.125 16.310 9.634 1.00 0.69 N ATOM 1755 CA HIS B 17 -1.023 17.461 9.835 1.00 0.69 C ATOM 1756 C HIS B 17 -0.682 18.324 11.081 1.00 0.73 C ATOM 1757 O HIS B 17 -1.285 19.371 11.304 1.00 1.08 O ATOM 1758 CB HIS B 17 -2.479 16.971 9.794 1.00 0.83 C ATOM 1759 CG HIS B 17 -3.480 18.086 9.597 1.00 1.14 C ATOM 1760 ND1 HIS B 17 -4.128 18.775 10.593 1.00 1.94 N ATOM 1761 CD2 HIS B 17 -3.867 18.649 8.409 1.00 1.39 C ATOM 1762 CE1 HIS B 17 -4.886 19.725 10.023 1.00 2.27 C ATOM 1763 NE2 HIS B 17 -4.777 19.679 8.687 1.00 1.87 N ATOM 0 H HIS B 17 -0.561 15.405 9.810 1.00 0.69 H new ATOM 0 HA HIS B 17 -0.871 18.161 9.013 1.00 0.69 H new ATOM 0 HB2 HIS B 17 -2.589 16.247 8.987 1.00 0.83 H new ATOM 0 HB3 HIS B 17 -2.706 16.449 10.724 1.00 0.83 H new ATOM 0 HD1 HIS B 17 -4.047 18.596 11.594 1.00 1.94 H new ATOM 0 HD2 HIS B 17 -3.529 18.351 7.428 1.00 1.39 H new ATOM 0 HE1 HIS B 17 -5.499 20.429 10.565 1.00 2.27 H new ATOM 1772 N LYS B 18 0.308 17.949 11.901 1.00 0.68 N ATOM 1773 CA LYS B 18 0.936 18.855 12.883 1.00 0.81 C ATOM 1774 C LYS B 18 1.939 19.841 12.240 1.00 0.96 C ATOM 1775 O LYS B 18 2.264 20.878 12.820 1.00 1.19 O ATOM 1776 CB LYS B 18 1.686 18.024 13.937 1.00 0.90 C ATOM 1777 CG LYS B 18 0.860 16.975 14.687 1.00 1.86 C ATOM 1778 CD LYS B 18 1.813 16.102 15.518 1.00 2.65 C ATOM 1779 CE LYS B 18 1.060 14.979 16.238 1.00 4.21 C ATOM 1780 NZ LYS B 18 2.002 14.133 17.009 1.00 4.96 N ATOM 0 H LYS B 18 0.700 17.007 11.906 1.00 0.68 H new ATOM 0 HA LYS B 18 0.132 19.439 13.330 1.00 0.81 H new ATOM 0 HB2 LYS B 18 2.517 17.518 13.446 1.00 0.90 H new ATOM 0 HB3 LYS B 18 2.117 18.708 14.669 1.00 0.90 H new ATOM 0 HG2 LYS B 18 0.130 17.461 15.335 1.00 1.86 H new ATOM 0 HG3 LYS B 18 0.301 16.359 13.982 1.00 1.86 H new ATOM 0 HD2 LYS B 18 2.575 15.672 14.868 1.00 2.65 H new ATOM 0 HD3 LYS B 18 2.331 16.722 16.250 1.00 2.65 H new ATOM 0 HE2 LYS B 18 0.313 15.405 16.908 1.00 4.21 H new ATOM 0 HE3 LYS B 18 0.525 14.368 15.511 1.00 4.21 H new ATOM 0 HZ1 LYS B 18 1.651 13.154 17.031 1.00 4.96 H new ATOM 0 HZ2 LYS B 18 2.938 14.155 16.557 1.00 4.96 H new ATOM 0 HZ3 LYS B 18 2.078 14.495 17.981 1.00 4.96 H new ATOM 1794 N TYR B 19 2.462 19.492 11.062 1.00 0.97 N ATOM 1795 CA TYR B 19 3.537 20.151 10.310 1.00 1.21 C ATOM 1796 C TYR B 19 3.045 20.416 8.868 1.00 1.57 C ATOM 1797 O TYR B 19 3.306 19.656 7.936 1.00 3.34 O ATOM 1798 CB TYR B 19 4.793 19.256 10.345 1.00 1.07 C ATOM 1799 CG TYR B 19 5.197 18.713 11.707 1.00 0.99 C ATOM 1800 CD1 TYR B 19 6.048 19.431 12.567 1.00 1.63 C ATOM 1801 CD2 TYR B 19 4.756 17.435 12.093 1.00 2.25 C ATOM 1802 CE1 TYR B 19 6.469 18.875 13.792 1.00 1.67 C ATOM 1803 CE2 TYR B 19 5.128 16.887 13.331 1.00 2.27 C ATOM 1804 CZ TYR B 19 5.984 17.607 14.189 1.00 1.06 C ATOM 1805 OH TYR B 19 6.332 17.066 15.386 1.00 1.19 O ATOM 0 H TYR B 19 2.116 18.671 10.566 1.00 0.97 H new ATOM 0 HA TYR B 19 3.801 21.110 10.755 1.00 1.21 H new ATOM 0 HB2 TYR B 19 4.630 18.412 9.675 1.00 1.07 H new ATOM 0 HB3 TYR B 19 5.630 19.826 9.942 1.00 1.07 H new ATOM 0 HD1 TYR B 19 6.382 20.419 12.286 1.00 1.63 H new ATOM 0 HD2 TYR B 19 4.122 16.867 11.428 1.00 2.25 H new ATOM 0 HE1 TYR B 19 7.159 19.415 14.424 1.00 1.67 H new ATOM 0 HE2 TYR B 19 4.759 15.916 13.625 1.00 2.27 H new ATOM 0 HH TYR B 19 5.902 16.191 15.487 1.00 1.19 H new ATOM 1815 N SER B 20 2.206 21.442 8.743 1.00 1.05 N ATOM 1816 CA SER B 20 1.264 21.809 7.665 1.00 0.97 C ATOM 1817 C SER B 20 0.013 22.465 8.286 1.00 1.01 C ATOM 1818 O SER B 20 -0.486 23.487 7.809 1.00 1.62 O ATOM 1819 CB SER B 20 0.849 20.621 6.775 1.00 0.93 C ATOM 1820 OG SER B 20 0.400 19.519 7.549 1.00 1.34 O ATOM 0 H SER B 20 2.158 22.133 9.492 1.00 1.05 H new ATOM 0 HA SER B 20 1.785 22.509 7.012 1.00 0.97 H new ATOM 0 HB2 SER B 20 0.057 20.935 6.094 1.00 0.93 H new ATOM 0 HB3 SER B 20 1.695 20.314 6.160 1.00 0.93 H new ATOM 0 HG SER B 20 0.558 18.687 7.056 1.00 1.34 H new ATOM 1826 N GLY B 21 -0.468 21.927 9.417 1.00 0.86 N ATOM 1827 CA GLY B 21 -1.664 22.392 10.137 1.00 1.20 C ATOM 1828 C GLY B 21 -1.557 23.776 10.789 1.00 1.39 C ATOM 1829 O GLY B 21 -2.537 24.213 11.394 1.00 1.81 O ATOM 0 H GLY B 21 -0.021 21.130 9.871 1.00 0.86 H new ATOM 0 HA2 GLY B 21 -2.502 22.404 9.440 1.00 1.20 H new ATOM 0 HA3 GLY B 21 -1.904 21.664 10.912 1.00 1.20 H new ATOM 1832 N ARG B 22 -0.420 24.469 10.671 1.00 1.45 N ATOM 1833 CA ARG B 22 -0.244 25.891 11.011 1.00 1.86 C ATOM 1834 C ARG B 22 0.457 26.702 9.895 1.00 1.91 C ATOM 1835 O ARG B 22 0.779 27.866 10.127 1.00 2.48 O ATOM 1836 CB ARG B 22 0.498 26.090 12.359 1.00 2.46 C ATOM 1837 CG ARG B 22 0.711 24.898 13.318 1.00 2.79 C ATOM 1838 CD ARG B 22 1.875 23.958 12.958 1.00 2.65 C ATOM 1839 NE ARG B 22 3.158 24.670 12.803 1.00 2.34 N ATOM 1840 CZ ARG B 22 4.351 24.095 12.711 1.00 3.04 C ATOM 1841 NH1 ARG B 22 4.521 22.800 12.830 1.00 4.26 N ATOM 1842 NH2 ARG B 22 5.435 24.806 12.504 1.00 3.55 N ATOM 0 H ARG B 22 0.438 24.041 10.323 1.00 1.45 H new ATOM 0 HA ARG B 22 -1.256 26.282 11.115 1.00 1.86 H new ATOM 0 HB2 ARG B 22 1.482 26.497 12.128 1.00 2.46 H new ATOM 0 HB3 ARG B 22 -0.042 26.857 12.914 1.00 2.46 H new ATOM 0 HG2 ARG B 22 0.879 25.288 14.322 1.00 2.79 H new ATOM 0 HG3 ARG B 22 -0.208 24.313 13.352 1.00 2.79 H new ATOM 0 HD2 ARG B 22 1.977 23.200 13.734 1.00 2.65 H new ATOM 0 HD3 ARG B 22 1.640 23.435 12.031 1.00 2.65 H new ATOM 0 HE ARG B 22 3.126 25.689 12.763 1.00 2.34 H new ATOM 0 HH11 ARG B 22 3.719 22.194 13.000 1.00 4.26 H new ATOM 0 HH12 ARG B 22 5.456 22.399 12.752 1.00 4.26 H new ATOM 0 HH21 ARG B 22 5.370 25.820 12.411 1.00 3.55 H new ATOM 0 HH22 ARG B 22 6.342 24.345 12.436 1.00 3.55 H new ATOM 1856 N GLU B 23 0.738 26.108 8.732 1.00 1.80 N ATOM 1857 CA GLU B 23 1.619 26.647 7.695 1.00 2.39 C ATOM 1858 C GLU B 23 0.830 27.042 6.430 1.00 2.22 C ATOM 1859 O GLU B 23 -0.399 27.118 6.448 1.00 2.56 O ATOM 1860 CB GLU B 23 2.757 25.636 7.395 1.00 3.30 C ATOM 1861 CG GLU B 23 3.716 25.380 8.571 1.00 4.37 C ATOM 1862 CD GLU B 23 3.357 24.154 9.409 1.00 5.65 C ATOM 1863 OE1 GLU B 23 2.180 24.004 9.805 1.00 6.22 O ATOM 1864 OE2 GLU B 23 4.245 23.328 9.688 1.00 6.79 O ATOM 0 H GLU B 23 0.342 25.203 8.478 1.00 1.80 H new ATOM 0 HA GLU B 23 2.076 27.566 8.062 1.00 2.39 H new ATOM 0 HB2 GLU B 23 2.312 24.688 7.094 1.00 3.30 H new ATOM 0 HB3 GLU B 23 3.335 26.001 6.546 1.00 3.30 H new ATOM 0 HG2 GLU B 23 4.727 25.258 8.182 1.00 4.37 H new ATOM 0 HG3 GLU B 23 3.726 26.258 9.216 1.00 4.37 H new ATOM 1871 N GLY B 24 1.533 27.322 5.320 1.00 2.88 N ATOM 1872 CA GLY B 24 0.961 27.907 4.095 1.00 3.20 C ATOM 1873 C GLY B 24 -0.072 27.026 3.386 1.00 2.69 C ATOM 1874 O GLY B 24 -0.881 27.533 2.612 1.00 3.43 O ATOM 0 H GLY B 24 2.535 27.145 5.247 1.00 2.88 H new ATOM 0 HA2 GLY B 24 0.494 28.859 4.347 1.00 3.20 H new ATOM 0 HA3 GLY B 24 1.772 28.124 3.400 1.00 3.20 H new ATOM 1877 N SER B 25 -0.100 25.734 3.695 1.00 2.00 N ATOM 1878 CA SER B 25 -1.218 24.847 3.403 1.00 1.63 C ATOM 1879 C SER B 25 -1.233 23.644 4.346 1.00 1.55 C ATOM 1880 O SER B 25 -0.194 23.063 4.655 1.00 1.78 O ATOM 1881 CB SER B 25 -1.139 24.365 1.951 1.00 1.91 C ATOM 1882 OG SER B 25 -2.228 23.513 1.644 1.00 2.88 O ATOM 0 H SER B 25 0.673 25.264 4.167 1.00 2.00 H new ATOM 0 HA SER B 25 -2.140 25.409 3.552 1.00 1.63 H new ATOM 0 HB2 SER B 25 -1.141 25.222 1.278 1.00 1.91 H new ATOM 0 HB3 SER B 25 -0.200 23.835 1.789 1.00 1.91 H new ATOM 0 HG SER B 25 -2.160 23.218 0.712 1.00 2.88 H new ATOM 1888 N LYS B 26 -2.430 23.167 4.707 1.00 1.51 N ATOM 1889 CA LYS B 26 -2.630 21.902 5.435 1.00 1.34 C ATOM 1890 C LYS B 26 -2.133 20.662 4.648 1.00 1.38 C ATOM 1891 O LYS B 26 -2.152 19.547 5.159 1.00 1.43 O ATOM 1892 CB LYS B 26 -4.121 21.799 5.808 1.00 1.41 C ATOM 1893 CG LYS B 26 -4.520 22.862 6.851 1.00 1.71 C ATOM 1894 CD LYS B 26 -5.980 22.743 7.304 1.00 1.76 C ATOM 1895 CE LYS B 26 -6.959 23.208 6.216 1.00 1.75 C ATOM 1896 NZ LYS B 26 -8.365 22.903 6.572 1.00 2.33 N ATOM 0 H LYS B 26 -3.302 23.654 4.500 1.00 1.51 H new ATOM 0 HA LYS B 26 -2.021 21.911 6.339 1.00 1.34 H new ATOM 0 HB2 LYS B 26 -4.730 21.921 4.912 1.00 1.41 H new ATOM 0 HB3 LYS B 26 -4.330 20.805 6.203 1.00 1.41 H new ATOM 0 HG2 LYS B 26 -3.868 22.772 7.720 1.00 1.71 H new ATOM 0 HG3 LYS B 26 -4.356 23.854 6.431 1.00 1.71 H new ATOM 0 HD2 LYS B 26 -6.195 21.707 7.567 1.00 1.76 H new ATOM 0 HD3 LYS B 26 -6.130 23.338 8.205 1.00 1.76 H new ATOM 0 HE2 LYS B 26 -6.848 24.281 6.062 1.00 1.75 H new ATOM 0 HE3 LYS B 26 -6.710 22.723 5.272 1.00 1.75 H new ATOM 0 HZ1 LYS B 26 -9.004 23.431 5.945 1.00 2.33 H new ATOM 0 HZ2 LYS B 26 -8.537 21.883 6.463 1.00 2.33 H new ATOM 0 HZ3 LYS B 26 -8.541 23.180 7.559 1.00 2.33 H new ATOM 1910 N LEU B 27 -1.709 20.864 3.393 1.00 1.56 N ATOM 1911 CA LEU B 27 -1.118 19.876 2.495 1.00 1.71 C ATOM 1912 C LEU B 27 0.414 19.968 2.386 1.00 1.53 C ATOM 1913 O LEU B 27 0.978 19.031 1.819 1.00 1.57 O ATOM 1914 CB LEU B 27 -1.732 20.065 1.094 1.00 2.29 C ATOM 1915 CG LEU B 27 -3.238 19.754 0.971 1.00 2.44 C ATOM 1916 CD1 LEU B 27 -3.746 20.281 -0.376 1.00 3.37 C ATOM 1917 CD2 LEU B 27 -3.506 18.243 1.064 1.00 2.84 C ATOM 0 H LEU B 27 -1.776 21.783 2.955 1.00 1.56 H new ATOM 0 HA LEU B 27 -1.338 18.893 2.912 1.00 1.71 H new ATOM 0 HB2 LEU B 27 -1.567 21.096 0.782 1.00 2.29 H new ATOM 0 HB3 LEU B 27 -1.191 19.430 0.393 1.00 2.29 H new ATOM 0 HG LEU B 27 -3.762 20.241 1.793 1.00 2.44 H new ATOM 0 HD11 LEU B 27 -4.810 20.066 -0.473 1.00 3.37 H new ATOM 0 HD12 LEU B 27 -3.587 21.358 -0.429 1.00 3.37 H new ATOM 0 HD13 LEU B 27 -3.202 19.794 -1.186 1.00 3.37 H new ATOM 0 HD21 LEU B 27 -4.576 18.057 0.974 1.00 2.84 H new ATOM 0 HD22 LEU B 27 -2.979 17.730 0.259 1.00 2.84 H new ATOM 0 HD23 LEU B 27 -3.153 17.869 2.025 1.00 2.84 H new ATOM 1929 N THR B 28 1.088 21.036 2.864 1.00 1.43 N ATOM 1930 CA THR B 28 2.527 21.245 2.613 1.00 1.29 C ATOM 1931 C THR B 28 3.309 21.838 3.787 1.00 1.24 C ATOM 1932 O THR B 28 2.752 22.485 4.667 1.00 1.48 O ATOM 1933 CB THR B 28 2.794 22.076 1.344 1.00 1.27 C ATOM 1934 OG1 THR B 28 2.289 23.386 1.466 1.00 1.51 O ATOM 1935 CG2 THR B 28 2.211 21.476 0.064 1.00 1.36 C ATOM 0 H THR B 28 0.655 21.768 3.427 1.00 1.43 H new ATOM 0 HA THR B 28 2.902 20.232 2.467 1.00 1.29 H new ATOM 0 HB THR B 28 3.880 22.079 1.257 1.00 1.27 H new ATOM 0 HG1 THR B 28 2.938 24.022 1.099 1.00 1.51 H new ATOM 0 HG21 THR B 28 2.445 22.124 -0.781 1.00 1.36 H new ATOM 0 HG22 THR B 28 2.643 20.489 -0.105 1.00 1.36 H new ATOM 0 HG23 THR B 28 1.129 21.386 0.164 1.00 1.36 H new ATOM 1943 N LEU B 29 4.632 21.626 3.777 1.00 0.97 N ATOM 1944 CA LEU B 29 5.592 22.131 4.774 1.00 0.88 C ATOM 1945 C LEU B 29 6.981 22.358 4.165 1.00 0.81 C ATOM 1946 O LEU B 29 7.386 21.626 3.266 1.00 0.76 O ATOM 1947 CB LEU B 29 5.667 21.197 6.004 1.00 0.83 C ATOM 1948 CG LEU B 29 6.445 19.867 5.839 1.00 0.74 C ATOM 1949 CD1 LEU B 29 6.599 19.143 7.184 1.00 1.00 C ATOM 1950 CD2 LEU B 29 5.765 18.892 4.872 1.00 0.77 C ATOM 0 H LEU B 29 5.083 21.076 3.046 1.00 0.97 H new ATOM 0 HA LEU B 29 5.225 23.100 5.112 1.00 0.88 H new ATOM 0 HB2 LEU B 29 6.121 21.754 6.824 1.00 0.83 H new ATOM 0 HB3 LEU B 29 4.648 20.957 6.308 1.00 0.83 H new ATOM 0 HG LEU B 29 7.416 20.154 5.435 1.00 0.74 H new ATOM 0 HD11 LEU B 29 7.149 18.214 7.036 1.00 1.00 H new ATOM 0 HD12 LEU B 29 7.144 19.780 7.880 1.00 1.00 H new ATOM 0 HD13 LEU B 29 5.613 18.920 7.592 1.00 1.00 H new ATOM 0 HD21 LEU B 29 6.357 17.980 4.799 1.00 0.77 H new ATOM 0 HD22 LEU B 29 4.769 18.649 5.241 1.00 0.77 H new ATOM 0 HD23 LEU B 29 5.685 19.353 3.887 1.00 0.77 H new ATOM 1962 N SER B 30 7.735 23.325 4.686 1.00 0.89 N ATOM 1963 CA SER B 30 9.130 23.599 4.298 1.00 0.88 C ATOM 1964 C SER B 30 10.106 22.488 4.725 1.00 0.82 C ATOM 1965 O SER B 30 9.980 21.945 5.829 1.00 0.94 O ATOM 1966 CB SER B 30 9.592 24.903 4.956 1.00 0.97 C ATOM 1967 OG SER B 30 8.758 25.981 4.585 1.00 2.54 O ATOM 0 H SER B 30 7.390 23.958 5.407 1.00 0.89 H new ATOM 0 HA SER B 30 9.142 23.662 3.210 1.00 0.88 H new ATOM 0 HB2 SER B 30 9.585 24.790 6.040 1.00 0.97 H new ATOM 0 HB3 SER B 30 10.620 25.117 4.664 1.00 0.97 H new ATOM 0 HG SER B 30 9.009 26.297 3.692 1.00 2.54 H new ATOM 1973 N ARG B 31 11.144 22.188 3.927 1.00 0.80 N ATOM 1974 CA ARG B 31 12.092 21.095 4.235 1.00 0.77 C ATOM 1975 C ARG B 31 12.732 21.184 5.639 1.00 0.74 C ATOM 1976 O ARG B 31 13.116 20.148 6.185 1.00 0.84 O ATOM 1977 CB ARG B 31 13.212 20.892 3.184 1.00 1.11 C ATOM 1978 CG ARG B 31 13.188 21.591 1.803 1.00 1.19 C ATOM 1979 CD ARG B 31 12.921 20.635 0.628 1.00 1.07 C ATOM 1980 NE ARG B 31 14.110 19.816 0.318 1.00 1.71 N ATOM 1981 CZ ARG B 31 14.152 18.731 -0.451 1.00 2.09 C ATOM 1982 NH1 ARG B 31 13.093 18.248 -1.066 1.00 2.24 N ATOM 1983 NH2 ARG B 31 15.304 18.110 -0.598 1.00 3.04 N ATOM 0 H ARG B 31 11.351 22.686 3.061 1.00 0.80 H new ATOM 0 HA ARG B 31 11.441 20.221 4.206 1.00 0.77 H new ATOM 0 HB2 ARG B 31 14.147 21.180 3.664 1.00 1.11 H new ATOM 0 HB3 ARG B 31 13.269 19.821 2.991 1.00 1.11 H new ATOM 0 HG2 ARG B 31 12.420 22.365 1.811 1.00 1.19 H new ATOM 0 HG3 ARG B 31 14.143 22.091 1.643 1.00 1.19 H new ATOM 0 HD2 ARG B 31 12.082 19.983 0.871 1.00 1.07 H new ATOM 0 HD3 ARG B 31 12.634 21.210 -0.252 1.00 1.07 H new ATOM 0 HE ARG B 31 14.991 20.113 0.737 1.00 1.71 H new ATOM 0 HH11 ARG B 31 12.189 18.709 -0.963 1.00 2.24 H new ATOM 0 HH12 ARG B 31 13.176 17.413 -1.645 1.00 2.24 H new ATOM 0 HH21 ARG B 31 16.137 18.463 -0.128 1.00 3.04 H new ATOM 0 HH22 ARG B 31 15.363 17.276 -1.182 1.00 3.04 H new ATOM 1997 N LYS B 32 12.878 22.374 6.236 1.00 0.78 N ATOM 1998 CA LYS B 32 13.344 22.529 7.625 1.00 0.83 C ATOM 1999 C LYS B 32 12.376 21.884 8.634 1.00 0.78 C ATOM 2000 O LYS B 32 12.808 21.123 9.498 1.00 0.87 O ATOM 2001 CB LYS B 32 13.558 24.025 7.942 1.00 1.00 C ATOM 2002 CG LYS B 32 14.477 24.238 9.162 1.00 1.88 C ATOM 2003 CD LYS B 32 15.968 24.245 8.783 1.00 2.65 C ATOM 2004 CE LYS B 32 16.394 25.642 8.305 1.00 3.03 C ATOM 2005 NZ LYS B 32 17.645 25.618 7.513 1.00 4.39 N ATOM 0 H LYS B 32 12.677 23.259 5.771 1.00 0.78 H new ATOM 0 HA LYS B 32 14.295 22.005 7.722 1.00 0.83 H new ATOM 0 HB2 LYS B 32 13.991 24.520 7.073 1.00 1.00 H new ATOM 0 HB3 LYS B 32 12.593 24.496 8.130 1.00 1.00 H new ATOM 0 HG2 LYS B 32 14.223 25.183 9.643 1.00 1.88 H new ATOM 0 HG3 LYS B 32 14.295 23.449 9.892 1.00 1.88 H new ATOM 0 HD2 LYS B 32 16.569 23.949 9.643 1.00 2.65 H new ATOM 0 HD3 LYS B 32 16.153 23.513 7.997 1.00 2.65 H new ATOM 0 HE2 LYS B 32 15.595 26.074 7.702 1.00 3.03 H new ATOM 0 HE3 LYS B 32 16.529 26.292 9.170 1.00 3.03 H new ATOM 0 HZ1 LYS B 32 18.324 26.295 7.916 1.00 4.39 H new ATOM 0 HZ2 LYS B 32 18.053 24.662 7.538 1.00 4.39 H new ATOM 0 HZ3 LYS B 32 17.438 25.881 6.528 1.00 4.39 H new ATOM 2019 N GLU B 33 11.073 22.124 8.486 1.00 0.71 N ATOM 2020 CA GLU B 33 10.024 21.568 9.339 1.00 0.66 C ATOM 2021 C GLU B 33 10.002 20.030 9.233 1.00 0.63 C ATOM 2022 O GLU B 33 10.021 19.343 10.249 1.00 0.67 O ATOM 2023 CB GLU B 33 8.681 22.188 8.914 1.00 0.75 C ATOM 2024 CG GLU B 33 7.571 22.015 9.956 1.00 1.08 C ATOM 2025 CD GLU B 33 7.649 23.002 11.123 1.00 1.60 C ATOM 2026 OE1 GLU B 33 8.077 24.160 10.934 1.00 2.40 O ATOM 2027 OE2 GLU B 33 7.193 22.642 12.232 1.00 2.55 O ATOM 0 H GLU B 33 10.709 22.727 7.749 1.00 0.71 H new ATOM 0 HA GLU B 33 10.215 21.809 10.385 1.00 0.66 H new ATOM 0 HB2 GLU B 33 8.825 23.251 8.722 1.00 0.75 H new ATOM 0 HB3 GLU B 33 8.361 21.735 7.976 1.00 0.75 H new ATOM 0 HG2 GLU B 33 6.605 22.127 9.464 1.00 1.08 H new ATOM 0 HG3 GLU B 33 7.612 20.999 10.350 1.00 1.08 H new ATOM 2034 N LEU B 34 10.060 19.472 8.013 1.00 0.59 N ATOM 2035 CA LEU B 34 10.070 18.024 7.767 1.00 0.56 C ATOM 2036 C LEU B 34 11.198 17.307 8.522 1.00 0.54 C ATOM 2037 O LEU B 34 10.986 16.259 9.132 1.00 0.58 O ATOM 2038 CB LEU B 34 10.168 17.791 6.242 1.00 0.63 C ATOM 2039 CG LEU B 34 10.458 16.331 5.821 1.00 0.73 C ATOM 2040 CD1 LEU B 34 9.392 15.338 6.293 1.00 0.99 C ATOM 2041 CD2 LEU B 34 10.557 16.231 4.298 1.00 1.09 C ATOM 0 H LEU B 34 10.102 20.025 7.157 1.00 0.59 H new ATOM 0 HA LEU B 34 9.145 17.594 8.150 1.00 0.56 H new ATOM 0 HB2 LEU B 34 9.233 18.107 5.780 1.00 0.63 H new ATOM 0 HB3 LEU B 34 10.954 18.432 5.842 1.00 0.63 H new ATOM 0 HG LEU B 34 11.401 16.066 6.299 1.00 0.73 H new ATOM 0 HD11 LEU B 34 9.659 14.334 5.963 1.00 0.99 H new ATOM 0 HD12 LEU B 34 9.332 15.359 7.381 1.00 0.99 H new ATOM 0 HD13 LEU B 34 8.426 15.614 5.871 1.00 0.99 H new ATOM 0 HD21 LEU B 34 10.761 15.199 4.014 1.00 1.09 H new ATOM 0 HD22 LEU B 34 9.616 16.551 3.850 1.00 1.09 H new ATOM 0 HD23 LEU B 34 11.364 16.872 3.943 1.00 1.09 H new ATOM 2053 N LYS B 35 12.422 17.849 8.482 1.00 0.59 N ATOM 2054 CA LYS B 35 13.535 17.233 9.206 1.00 0.74 C ATOM 2055 C LYS B 35 13.360 17.336 10.731 1.00 0.72 C ATOM 2056 O LYS B 35 13.766 16.420 11.445 1.00 0.85 O ATOM 2057 CB LYS B 35 14.887 17.749 8.680 1.00 1.06 C ATOM 2058 CG LYS B 35 15.498 18.953 9.425 1.00 0.99 C ATOM 2059 CD LYS B 35 16.982 19.124 9.084 1.00 1.36 C ATOM 2060 CE LYS B 35 17.852 18.068 9.792 1.00 2.41 C ATOM 2061 NZ LYS B 35 19.204 17.928 9.193 1.00 3.47 N ATOM 0 H LYS B 35 12.662 18.696 7.966 1.00 0.59 H new ATOM 0 HA LYS B 35 13.530 16.162 9.004 1.00 0.74 H new ATOM 0 HB2 LYS B 35 15.603 16.928 8.713 1.00 1.06 H new ATOM 0 HB3 LYS B 35 14.764 18.022 7.632 1.00 1.06 H new ATOM 0 HG2 LYS B 35 14.955 19.860 9.161 1.00 0.99 H new ATOM 0 HG3 LYS B 35 15.383 18.814 10.500 1.00 0.99 H new ATOM 0 HD2 LYS B 35 17.119 19.046 8.006 1.00 1.36 H new ATOM 0 HD3 LYS B 35 17.310 20.122 9.376 1.00 1.36 H new ATOM 0 HE2 LYS B 35 17.953 18.336 10.844 1.00 2.41 H new ATOM 0 HE3 LYS B 35 17.344 17.104 9.756 1.00 2.41 H new ATOM 0 HZ1 LYS B 35 19.617 17.017 9.478 1.00 3.47 H new ATOM 0 HZ2 LYS B 35 19.130 17.965 8.156 1.00 3.47 H new ATOM 0 HZ3 LYS B 35 19.813 18.703 9.525 1.00 3.47 H new ATOM 2075 N GLU B 36 12.725 18.404 11.217 1.00 0.66 N ATOM 2076 CA GLU B 36 12.387 18.579 12.627 1.00 0.68 C ATOM 2077 C GLU B 36 11.302 17.595 13.091 1.00 0.59 C ATOM 2078 O GLU B 36 11.401 17.026 14.174 1.00 0.68 O ATOM 2079 CB GLU B 36 11.922 20.026 12.848 1.00 0.82 C ATOM 2080 CG GLU B 36 11.944 20.379 14.337 1.00 1.09 C ATOM 2081 CD GLU B 36 13.364 20.381 14.913 1.00 2.04 C ATOM 2082 OE1 GLU B 36 14.339 20.517 14.144 1.00 3.01 O ATOM 2083 OE2 GLU B 36 13.474 20.187 16.144 1.00 2.74 O ATOM 0 H GLU B 36 12.427 19.184 10.630 1.00 0.66 H new ATOM 0 HA GLU B 36 13.277 18.371 13.221 1.00 0.68 H new ATOM 0 HB2 GLU B 36 12.569 20.709 12.297 1.00 0.82 H new ATOM 0 HB3 GLU B 36 10.914 20.154 12.454 1.00 0.82 H new ATOM 0 HG2 GLU B 36 11.494 21.361 14.482 1.00 1.09 H new ATOM 0 HG3 GLU B 36 11.332 19.664 14.887 1.00 1.09 H new ATOM 2090 N LEU B 37 10.300 17.342 12.243 1.00 0.55 N ATOM 2091 CA LEU B 37 9.253 16.338 12.433 1.00 0.55 C ATOM 2092 C LEU B 37 9.862 14.950 12.709 1.00 0.55 C ATOM 2093 O LEU B 37 9.466 14.267 13.652 1.00 0.61 O ATOM 2094 CB LEU B 37 8.298 16.454 11.213 1.00 0.59 C ATOM 2095 CG LEU B 37 7.606 15.205 10.634 1.00 0.70 C ATOM 2096 CD1 LEU B 37 6.666 14.479 11.598 1.00 1.14 C ATOM 2097 CD2 LEU B 37 6.793 15.614 9.396 1.00 1.15 C ATOM 0 H LEU B 37 10.194 17.855 11.368 1.00 0.55 H new ATOM 0 HA LEU B 37 8.651 16.508 13.326 1.00 0.55 H new ATOM 0 HB2 LEU B 37 7.512 17.158 11.487 1.00 0.59 H new ATOM 0 HB3 LEU B 37 8.867 16.910 10.403 1.00 0.59 H new ATOM 0 HG LEU B 37 8.411 14.507 10.402 1.00 0.70 H new ATOM 0 HD11 LEU B 37 6.228 13.615 11.098 1.00 1.14 H new ATOM 0 HD12 LEU B 37 7.226 14.147 12.472 1.00 1.14 H new ATOM 0 HD13 LEU B 37 5.872 15.157 11.912 1.00 1.14 H new ATOM 0 HD21 LEU B 37 6.299 14.736 8.979 1.00 1.15 H new ATOM 0 HD22 LEU B 37 6.043 16.351 9.681 1.00 1.15 H new ATOM 0 HD23 LEU B 37 7.460 16.045 8.649 1.00 1.15 H new ATOM 2109 N ILE B 38 10.902 14.558 11.974 1.00 0.60 N ATOM 2110 CA ILE B 38 11.640 13.300 12.209 1.00 0.74 C ATOM 2111 C ILE B 38 12.450 13.327 13.525 1.00 0.82 C ATOM 2112 O ILE B 38 12.604 12.296 14.168 1.00 1.07 O ATOM 2113 CB ILE B 38 12.464 12.969 10.939 1.00 0.78 C ATOM 2114 CG1 ILE B 38 11.492 12.680 9.767 1.00 1.06 C ATOM 2115 CG2 ILE B 38 13.415 11.777 11.155 1.00 1.34 C ATOM 2116 CD1 ILE B 38 12.175 12.581 8.403 1.00 1.23 C ATOM 0 H ILE B 38 11.265 15.102 11.191 1.00 0.60 H new ATOM 0 HA ILE B 38 10.942 12.478 12.368 1.00 0.74 H new ATOM 0 HB ILE B 38 13.089 13.831 10.704 1.00 0.78 H new ATOM 0 HG12 ILE B 38 10.965 11.747 9.967 1.00 1.06 H new ATOM 0 HG13 ILE B 38 10.740 13.468 9.729 1.00 1.06 H new ATOM 0 HG21 ILE B 38 13.970 11.584 10.237 1.00 1.34 H new ATOM 0 HG22 ILE B 38 14.113 12.009 11.959 1.00 1.34 H new ATOM 0 HG23 ILE B 38 12.836 10.893 11.422 1.00 1.34 H new ATOM 0 HD11 ILE B 38 11.428 12.377 7.636 1.00 1.23 H new ATOM 0 HD12 ILE B 38 12.678 13.522 8.179 1.00 1.23 H new ATOM 0 HD13 ILE B 38 12.907 11.773 8.420 1.00 1.23 H new ATOM 2128 N LYS B 39 12.918 14.494 13.972 1.00 0.79 N ATOM 2129 CA LYS B 39 13.468 14.733 15.321 1.00 1.03 C ATOM 2130 C LYS B 39 12.428 14.910 16.447 1.00 1.04 C ATOM 2131 O LYS B 39 12.811 15.054 17.608 1.00 1.35 O ATOM 2132 CB LYS B 39 14.430 15.937 15.229 1.00 1.27 C ATOM 2133 CG LYS B 39 15.905 15.534 15.104 1.00 1.56 C ATOM 2134 CD LYS B 39 16.184 14.445 14.063 1.00 1.65 C ATOM 2135 CE LYS B 39 17.696 14.262 13.885 1.00 2.30 C ATOM 2136 NZ LYS B 39 18.021 13.031 13.138 1.00 3.33 N ATOM 0 H LYS B 39 12.928 15.332 13.390 1.00 0.79 H new ATOM 0 HA LYS B 39 13.992 13.826 15.623 1.00 1.03 H new ATOM 0 HB2 LYS B 39 14.154 16.547 14.369 1.00 1.27 H new ATOM 0 HB3 LYS B 39 14.306 16.560 16.115 1.00 1.27 H new ATOM 0 HG2 LYS B 39 16.489 16.419 14.850 1.00 1.56 H new ATOM 0 HG3 LYS B 39 16.257 15.188 16.076 1.00 1.56 H new ATOM 0 HD2 LYS B 39 15.731 13.505 14.378 1.00 1.65 H new ATOM 0 HD3 LYS B 39 15.728 14.716 13.111 1.00 1.65 H new ATOM 0 HE2 LYS B 39 18.106 15.124 13.359 1.00 2.30 H new ATOM 0 HE3 LYS B 39 18.175 14.229 14.864 1.00 2.30 H new ATOM 0 HZ1 LYS B 39 18.858 13.197 12.543 1.00 3.33 H new ATOM 0 HZ2 LYS B 39 18.219 12.260 13.808 1.00 3.33 H new ATOM 0 HZ3 LYS B 39 17.215 12.767 12.536 1.00 3.33 H new ATOM 2150 N LYS B 40 11.128 14.902 16.144 1.00 0.88 N ATOM 2151 CA LYS B 40 10.050 14.865 17.139 1.00 1.03 C ATOM 2152 C LYS B 40 9.427 13.463 17.248 1.00 1.04 C ATOM 2153 O LYS B 40 9.281 12.939 18.348 1.00 1.24 O ATOM 2154 CB LYS B 40 8.979 15.901 16.774 1.00 1.20 C ATOM 2155 CG LYS B 40 9.349 17.391 16.830 1.00 1.53 C ATOM 2156 CD LYS B 40 10.705 17.794 17.417 1.00 1.39 C ATOM 2157 CE LYS B 40 10.643 19.277 17.774 1.00 1.77 C ATOM 2158 NZ LYS B 40 11.945 19.774 18.265 1.00 2.12 N ATOM 0 H LYS B 40 10.787 14.921 15.183 1.00 0.88 H new ATOM 0 HA LYS B 40 10.475 15.108 18.113 1.00 1.03 H new ATOM 0 HB2 LYS B 40 8.638 15.682 15.762 1.00 1.20 H new ATOM 0 HB3 LYS B 40 8.128 15.746 17.438 1.00 1.20 H new ATOM 0 HG2 LYS B 40 9.301 17.781 15.813 1.00 1.53 H new ATOM 0 HG3 LYS B 40 8.576 17.901 17.405 1.00 1.53 H new ATOM 0 HD2 LYS B 40 10.929 17.198 18.302 1.00 1.39 H new ATOM 0 HD3 LYS B 40 11.502 17.608 16.697 1.00 1.39 H new ATOM 0 HE2 LYS B 40 10.341 19.850 16.897 1.00 1.77 H new ATOM 0 HE3 LYS B 40 9.881 19.436 18.537 1.00 1.77 H new ATOM 0 HZ1 LYS B 40 11.812 20.694 18.731 1.00 2.12 H new ATOM 0 HZ2 LYS B 40 12.341 19.095 18.946 1.00 2.12 H new ATOM 0 HZ3 LYS B 40 12.599 19.883 17.464 1.00 2.12 H new ATOM 2172 N GLU B 41 9.067 12.877 16.104 1.00 0.97 N ATOM 2173 CA GLU B 41 8.234 11.678 16.028 1.00 1.11 C ATOM 2174 C GLU B 41 9.040 10.385 15.775 1.00 1.09 C ATOM 2175 O GLU B 41 8.467 9.293 15.858 1.00 1.48 O ATOM 2176 CB GLU B 41 7.189 11.842 14.914 1.00 1.44 C ATOM 2177 CG GLU B 41 6.366 13.137 14.879 1.00 1.91 C ATOM 2178 CD GLU B 41 5.265 13.219 15.926 1.00 3.77 C ATOM 2179 OE1 GLU B 41 5.493 12.892 17.106 1.00 4.89 O ATOM 2180 OE2 GLU B 41 4.148 13.635 15.545 1.00 4.66 O ATOM 0 H GLU B 41 9.352 13.229 15.190 1.00 0.97 H new ATOM 0 HA GLU B 41 7.755 11.574 17.002 1.00 1.11 H new ATOM 0 HB2 GLU B 41 7.704 11.748 13.958 1.00 1.44 H new ATOM 0 HB3 GLU B 41 6.493 11.006 14.984 1.00 1.44 H new ATOM 0 HG2 GLU B 41 7.040 13.983 15.013 1.00 1.91 H new ATOM 0 HG3 GLU B 41 5.917 13.240 13.891 1.00 1.91 H new ATOM 2187 N LEU B 42 10.342 10.485 15.468 1.00 0.93 N ATOM 2188 CA LEU B 42 11.270 9.376 15.262 1.00 1.12 C ATOM 2189 C LEU B 42 12.521 9.510 16.156 1.00 1.12 C ATOM 2190 O LEU B 42 12.592 10.383 17.017 1.00 1.47 O ATOM 2191 CB LEU B 42 11.606 9.270 13.754 1.00 1.34 C ATOM 2192 CG LEU B 42 11.476 7.812 13.290 1.00 1.58 C ATOM 2193 CD1 LEU B 42 10.016 7.469 12.964 1.00 1.89 C ATOM 2194 CD2 LEU B 42 12.360 7.506 12.080 1.00 3.26 C ATOM 0 H LEU B 42 10.794 11.392 15.352 1.00 0.93 H new ATOM 0 HA LEU B 42 10.799 8.442 15.567 1.00 1.12 H new ATOM 0 HB2 LEU B 42 10.934 9.905 13.177 1.00 1.34 H new ATOM 0 HB3 LEU B 42 12.619 9.630 13.572 1.00 1.34 H new ATOM 0 HG LEU B 42 11.817 7.191 14.118 1.00 1.58 H new ATOM 0 HD11 LEU B 42 9.950 6.431 12.638 1.00 1.89 H new ATOM 0 HD12 LEU B 42 9.402 7.609 13.854 1.00 1.89 H new ATOM 0 HD13 LEU B 42 9.658 8.123 12.169 1.00 1.89 H new ATOM 0 HD21 LEU B 42 12.232 6.463 11.791 1.00 3.26 H new ATOM 0 HD22 LEU B 42 12.075 8.151 11.249 1.00 3.26 H new ATOM 0 HD23 LEU B 42 13.404 7.686 12.337 1.00 3.26 H new ATOM 2206 N CYS B 43 13.506 8.628 15.953 1.00 2.04 N ATOM 2207 CA CYS B 43 14.808 8.562 16.634 1.00 2.26 C ATOM 2208 C CYS B 43 15.694 7.564 15.875 1.00 2.62 C ATOM 2209 O CYS B 43 15.825 7.711 14.662 1.00 3.90 O ATOM 2210 CB CYS B 43 14.634 8.331 18.152 1.00 2.25 C ATOM 2211 SG CYS B 43 16.071 9.016 19.019 1.00 3.18 S ATOM 0 H CYS B 43 13.409 7.887 15.259 1.00 2.04 H new ATOM 0 HA CYS B 43 15.339 9.514 16.603 1.00 2.26 H new ATOM 0 HB2 CYS B 43 13.719 8.808 18.503 1.00 2.25 H new ATOM 0 HB3 CYS B 43 14.539 7.266 18.363 1.00 2.25 H new ATOM 0 HG CYS B 43 17.024 8.132 19.045 1.00 3.18 H new ATOM 2217 N LEU B 44 16.273 6.573 16.563 1.00 2.51 N ATOM 2218 CA LEU B 44 16.911 5.354 16.043 1.00 3.12 C ATOM 2219 C LEU B 44 18.358 5.546 15.556 1.00 3.89 C ATOM 2220 O LEU B 44 19.048 4.614 15.132 1.00 5.09 O ATOM 2221 CB LEU B 44 16.023 4.634 15.021 1.00 3.61 C ATOM 2222 CG LEU B 44 14.770 4.017 15.664 1.00 4.01 C ATOM 2223 CD1 LEU B 44 13.568 4.971 15.782 1.00 4.28 C ATOM 2224 CD2 LEU B 44 14.359 2.819 14.813 1.00 5.05 C ATOM 0 H LEU B 44 16.311 6.604 17.582 1.00 2.51 H new ATOM 0 HA LEU B 44 17.010 4.692 16.903 1.00 3.12 H new ATOM 0 HB2 LEU B 44 15.721 5.339 14.246 1.00 3.61 H new ATOM 0 HB3 LEU B 44 16.600 3.850 14.531 1.00 3.61 H new ATOM 0 HG LEU B 44 15.038 3.749 16.686 1.00 4.01 H new ATOM 0 HD11 LEU B 44 12.732 4.448 16.247 1.00 4.28 H new ATOM 0 HD12 LEU B 44 13.844 5.830 16.394 1.00 4.28 H new ATOM 0 HD13 LEU B 44 13.275 5.312 14.789 1.00 4.28 H new ATOM 0 HD21 LEU B 44 13.470 2.356 15.242 1.00 5.05 H new ATOM 0 HD22 LEU B 44 14.141 3.151 13.798 1.00 5.05 H new ATOM 0 HD23 LEU B 44 15.172 2.093 14.790 1.00 5.05 H new ATOM 2236 N GLY B 45 18.805 6.789 15.663 1.00 3.53 N ATOM 2237 CA GLY B 45 20.157 7.271 15.371 1.00 4.17 C ATOM 2238 C GLY B 45 21.169 6.990 16.484 1.00 3.44 C ATOM 2239 O GLY B 45 22.361 6.895 16.216 1.00 4.23 O ATOM 0 H GLY B 45 18.194 7.543 15.977 1.00 3.53 H new ATOM 0 HA2 GLY B 45 20.507 6.806 14.449 1.00 4.17 H new ATOM 0 HA3 GLY B 45 20.118 8.345 15.191 1.00 4.17 H new ATOM 2242 N GLU B 46 20.694 6.815 17.720 1.00 2.46 N ATOM 2243 CA GLU B 46 21.477 6.337 18.871 1.00 2.45 C ATOM 2244 C GLU B 46 21.920 4.869 18.727 1.00 2.76 C ATOM 2245 O GLU B 46 22.928 4.472 19.305 1.00 3.52 O ATOM 2246 CB GLU B 46 20.705 6.596 20.179 1.00 2.85 C ATOM 2247 CG GLU B 46 19.507 5.667 20.434 1.00 3.20 C ATOM 2248 CD GLU B 46 18.562 5.602 19.240 1.00 3.75 C ATOM 2249 OE1 GLU B 46 18.064 6.658 18.798 1.00 3.80 O ATOM 2250 OE2 GLU B 46 18.494 4.527 18.613 1.00 4.97 O ATOM 0 H GLU B 46 19.721 7.008 17.959 1.00 2.46 H new ATOM 0 HA GLU B 46 22.404 6.909 18.904 1.00 2.45 H new ATOM 0 HB2 GLU B 46 21.399 6.504 21.015 1.00 2.85 H new ATOM 0 HB3 GLU B 46 20.349 7.626 20.173 1.00 2.85 H new ATOM 0 HG2 GLU B 46 19.869 4.665 20.663 1.00 3.20 H new ATOM 0 HG3 GLU B 46 18.959 6.016 21.310 1.00 3.20 H new ATOM 2257 N MET B 47 21.213 4.068 17.920 1.00 2.74 N ATOM 2258 CA MET B 47 21.746 2.820 17.373 1.00 3.19 C ATOM 2259 C MET B 47 22.648 3.100 16.163 1.00 2.79 C ATOM 2260 O MET B 47 23.795 2.658 16.132 1.00 3.14 O ATOM 2261 CB MET B 47 20.622 1.856 16.991 1.00 3.98 C ATOM 2262 CG MET B 47 19.801 1.378 18.188 1.00 4.55 C ATOM 2263 SD MET B 47 18.399 0.359 17.682 1.00 4.97 S ATOM 2264 CE MET B 47 17.303 1.741 17.301 1.00 3.83 C ATOM 0 H MET B 47 20.256 4.269 17.630 1.00 2.74 H new ATOM 0 HA MET B 47 22.345 2.346 18.151 1.00 3.19 H new ATOM 0 HB2 MET B 47 19.959 2.346 16.278 1.00 3.98 H new ATOM 0 HB3 MET B 47 21.051 0.991 16.485 1.00 3.98 H new ATOM 0 HG2 MET B 47 20.440 0.807 18.861 1.00 4.55 H new ATOM 0 HG3 MET B 47 19.439 2.241 18.747 1.00 4.55 H new ATOM 0 HE1 MET B 47 16.315 1.361 17.042 1.00 3.83 H new ATOM 0 HE2 MET B 47 17.224 2.393 18.171 1.00 3.83 H new ATOM 0 HE3 MET B 47 17.707 2.305 16.460 1.00 3.83 H new ATOM 2274 N LYS B 48 22.123 3.763 15.118 1.00 2.41 N ATOM 2275 CA LYS B 48 22.814 4.007 13.848 1.00 2.34 C ATOM 2276 C LYS B 48 23.119 5.498 13.564 1.00 2.32 C ATOM 2277 O LYS B 48 22.286 6.255 13.072 1.00 2.56 O ATOM 2278 CB LYS B 48 21.972 3.341 12.749 1.00 2.64 C ATOM 2279 CG LYS B 48 22.395 1.875 12.572 1.00 3.22 C ATOM 2280 CD LYS B 48 21.863 0.820 13.561 1.00 3.56 C ATOM 2281 CE LYS B 48 20.345 0.572 13.578 1.00 4.15 C ATOM 2282 NZ LYS B 48 19.965 -0.631 12.793 1.00 5.19 N ATOM 0 H LYS B 48 21.181 4.153 15.138 1.00 2.41 H new ATOM 0 HA LYS B 48 23.810 3.567 13.888 1.00 2.34 H new ATOM 0 HB2 LYS B 48 20.915 3.393 13.009 1.00 2.64 H new ATOM 0 HB3 LYS B 48 22.096 3.879 11.809 1.00 2.64 H new ATOM 0 HG2 LYS B 48 22.099 1.566 11.570 1.00 3.22 H new ATOM 0 HG3 LYS B 48 23.484 1.840 12.608 1.00 3.22 H new ATOM 0 HD2 LYS B 48 22.357 -0.127 13.343 1.00 3.56 H new ATOM 0 HD3 LYS B 48 22.168 1.115 14.565 1.00 3.56 H new ATOM 0 HE2 LYS B 48 20.009 0.453 14.608 1.00 4.15 H new ATOM 0 HE3 LYS B 48 19.831 1.445 13.174 1.00 4.15 H new ATOM 0 HZ1 LYS B 48 19.110 -1.057 13.203 1.00 5.19 H new ATOM 0 HZ2 LYS B 48 19.777 -0.357 11.808 1.00 5.19 H new ATOM 0 HZ3 LYS B 48 20.742 -1.322 12.818 1.00 5.19 H new ATOM 2296 N GLU B 49 24.364 5.882 13.839 1.00 2.70 N ATOM 2297 CA GLU B 49 24.864 7.269 13.838 1.00 3.06 C ATOM 2298 C GLU B 49 25.118 7.836 12.417 1.00 2.49 C ATOM 2299 O GLU B 49 25.371 7.083 11.473 1.00 2.78 O ATOM 2300 CB GLU B 49 26.144 7.314 14.706 1.00 4.07 C ATOM 2301 CG GLU B 49 26.275 8.538 15.623 1.00 4.79 C ATOM 2302 CD GLU B 49 26.427 9.827 14.827 1.00 5.27 C ATOM 2303 OE1 GLU B 49 27.511 10.032 14.249 1.00 5.95 O ATOM 2304 OE2 GLU B 49 25.408 10.526 14.654 1.00 5.53 O ATOM 0 H GLU B 49 25.091 5.209 14.081 1.00 2.70 H new ATOM 0 HA GLU B 49 24.093 7.915 14.257 1.00 3.06 H new ATOM 0 HB2 GLU B 49 26.177 6.415 15.321 1.00 4.07 H new ATOM 0 HB3 GLU B 49 27.011 7.281 14.046 1.00 4.07 H new ATOM 0 HG2 GLU B 49 25.396 8.608 16.264 1.00 4.79 H new ATOM 0 HG3 GLU B 49 27.137 8.411 16.278 1.00 4.79 H new ATOM 2311 N SER B 50 25.088 9.167 12.270 1.00 2.78 N ATOM 2312 CA SER B 50 25.596 9.999 11.169 1.00 2.94 C ATOM 2313 C SER B 50 24.866 9.831 9.831 1.00 2.81 C ATOM 2314 O SER B 50 24.253 10.775 9.336 1.00 3.64 O ATOM 2315 CB SER B 50 27.107 9.803 11.005 1.00 3.27 C ATOM 2316 OG SER B 50 27.849 10.697 11.813 1.00 4.40 O ATOM 0 H SER B 50 24.664 9.748 12.993 1.00 2.78 H new ATOM 0 HA SER B 50 25.386 11.027 11.464 1.00 2.94 H new ATOM 0 HB2 SER B 50 27.370 8.777 11.264 1.00 3.27 H new ATOM 0 HB3 SER B 50 27.380 9.948 9.960 1.00 3.27 H new ATOM 0 HG SER B 50 27.488 10.690 12.724 1.00 4.40 H new ATOM 2322 N SER B 51 24.867 8.642 9.232 1.00 2.45 N ATOM 2323 CA SER B 51 24.275 8.415 7.897 1.00 2.35 C ATOM 2324 C SER B 51 22.734 8.454 7.896 1.00 2.12 C ATOM 2325 O SER B 51 22.107 8.275 6.854 1.00 2.24 O ATOM 2326 CB SER B 51 24.772 7.099 7.299 1.00 2.54 C ATOM 2327 OG SER B 51 24.371 7.016 5.944 1.00 2.35 O ATOM 0 H SER B 51 25.275 7.805 9.649 1.00 2.45 H new ATOM 0 HA SER B 51 24.608 9.245 7.274 1.00 2.35 H new ATOM 0 HB2 SER B 51 25.858 7.041 7.372 1.00 2.54 H new ATOM 0 HB3 SER B 51 24.369 6.256 7.861 1.00 2.54 H new ATOM 0 HG SER B 51 23.482 7.416 5.841 1.00 2.35 H new ATOM 2333 N ILE B 52 22.122 8.684 9.061 1.00 2.09 N ATOM 2334 CA ILE B 52 20.703 9.030 9.202 1.00 2.12 C ATOM 2335 C ILE B 52 20.431 10.508 8.937 1.00 2.00 C ATOM 2336 O ILE B 52 19.290 10.861 8.649 1.00 2.30 O ATOM 2337 CB ILE B 52 20.175 8.605 10.597 1.00 2.36 C ATOM 2338 CG1 ILE B 52 20.831 9.331 11.797 1.00 2.57 C ATOM 2339 CG2 ILE B 52 20.298 7.078 10.727 1.00 2.60 C ATOM 2340 CD1 ILE B 52 20.086 10.617 12.195 1.00 2.41 C ATOM 0 H ILE B 52 22.611 8.634 9.955 1.00 2.09 H new ATOM 0 HA ILE B 52 20.159 8.474 8.438 1.00 2.12 H new ATOM 0 HB ILE B 52 19.131 8.915 10.646 1.00 2.36 H new ATOM 0 HG12 ILE B 52 20.862 8.655 12.652 1.00 2.57 H new ATOM 0 HG13 ILE B 52 21.863 9.577 11.547 1.00 2.57 H new ATOM 0 HG21 ILE B 52 19.930 6.765 11.704 1.00 2.60 H new ATOM 0 HG22 ILE B 52 19.708 6.598 9.946 1.00 2.60 H new ATOM 0 HG23 ILE B 52 21.343 6.787 10.623 1.00 2.60 H new ATOM 0 HD11 ILE B 52 20.591 11.083 13.041 1.00 2.41 H new ATOM 0 HD12 ILE B 52 20.077 11.308 11.352 1.00 2.41 H new ATOM 0 HD13 ILE B 52 19.061 10.372 12.474 1.00 2.41 H new ATOM 2352 N ASP B 53 21.436 11.385 9.067 1.00 1.83 N ATOM 2353 CA ASP B 53 21.275 12.834 8.902 1.00 2.05 C ATOM 2354 C ASP B 53 21.904 13.393 7.613 1.00 1.82 C ATOM 2355 O ASP B 53 21.670 14.553 7.291 1.00 1.73 O ATOM 2356 CB ASP B 53 21.700 13.609 10.166 1.00 3.00 C ATOM 2357 CG ASP B 53 20.587 14.571 10.613 1.00 4.26 C ATOM 2358 OD1 ASP B 53 19.668 14.107 11.337 1.00 5.55 O ATOM 2359 OD2 ASP B 53 20.570 15.759 10.206 1.00 4.50 O ATOM 0 H ASP B 53 22.391 11.105 9.291 1.00 1.83 H new ATOM 0 HA ASP B 53 20.205 12.998 8.774 1.00 2.05 H new ATOM 0 HB2 ASP B 53 21.926 12.908 10.970 1.00 3.00 H new ATOM 0 HB3 ASP B 53 22.613 14.169 9.965 1.00 3.00 H new ATOM 2364 N ASP B 54 22.609 12.573 6.831 1.00 1.86 N ATOM 2365 CA ASP B 54 23.023 12.889 5.452 1.00 1.84 C ATOM 2366 C ASP B 54 21.813 13.252 4.570 1.00 1.43 C ATOM 2367 O ASP B 54 21.711 14.367 4.045 1.00 1.60 O ATOM 2368 CB ASP B 54 23.775 11.676 4.884 1.00 2.23 C ATOM 2369 CG ASP B 54 24.011 11.821 3.379 1.00 2.38 C ATOM 2370 OD1 ASP B 54 24.944 12.565 3.008 1.00 2.96 O ATOM 2371 OD2 ASP B 54 23.222 11.211 2.624 1.00 3.02 O ATOM 0 H ASP B 54 22.917 11.651 7.140 1.00 1.86 H new ATOM 0 HA ASP B 54 23.677 13.761 5.460 1.00 1.84 H new ATOM 0 HB2 ASP B 54 24.732 11.567 5.395 1.00 2.23 H new ATOM 0 HB3 ASP B 54 23.204 10.768 5.079 1.00 2.23 H new ATOM 2376 N LEU B 55 20.826 12.347 4.504 1.00 1.01 N ATOM 2377 CA LEU B 55 19.550 12.578 3.816 1.00 0.81 C ATOM 2378 C LEU B 55 18.881 13.856 4.342 1.00 0.72 C ATOM 2379 O LEU B 55 18.423 14.707 3.578 1.00 0.77 O ATOM 2380 CB LEU B 55 18.630 11.358 4.021 1.00 0.70 C ATOM 2381 CG LEU B 55 19.171 10.022 3.481 1.00 0.81 C ATOM 2382 CD1 LEU B 55 18.196 8.895 3.843 1.00 0.82 C ATOM 2383 CD2 LEU B 55 19.408 10.074 1.965 1.00 1.02 C ATOM 0 H LEU B 55 20.893 11.424 4.932 1.00 1.01 H new ATOM 0 HA LEU B 55 19.734 12.709 2.750 1.00 0.81 H new ATOM 0 HB2 LEU B 55 18.436 11.247 5.088 1.00 0.70 H new ATOM 0 HB3 LEU B 55 17.672 11.562 3.542 1.00 0.70 H new ATOM 0 HG LEU B 55 20.138 9.828 3.946 1.00 0.81 H new ATOM 0 HD11 LEU B 55 18.577 7.948 3.462 1.00 0.82 H new ATOM 0 HD12 LEU B 55 18.095 8.835 4.927 1.00 0.82 H new ATOM 0 HD13 LEU B 55 17.222 9.100 3.398 1.00 0.82 H new ATOM 0 HD21 LEU B 55 19.790 9.112 1.623 1.00 1.02 H new ATOM 0 HD22 LEU B 55 18.469 10.293 1.457 1.00 1.02 H new ATOM 0 HD23 LEU B 55 20.134 10.854 1.737 1.00 1.02 H new ATOM 2395 N MET B 56 18.893 14.031 5.664 1.00 0.82 N ATOM 2396 CA MET B 56 18.311 15.176 6.368 1.00 1.03 C ATOM 2397 C MET B 56 19.064 16.483 6.069 1.00 1.17 C ATOM 2398 O MET B 56 18.512 17.568 6.272 1.00 1.43 O ATOM 2399 CB MET B 56 18.328 14.870 7.867 1.00 1.39 C ATOM 2400 CG MET B 56 17.567 13.609 8.294 1.00 1.55 C ATOM 2401 SD MET B 56 15.840 13.939 8.715 1.00 2.14 S ATOM 2402 CE MET B 56 16.082 14.441 10.432 1.00 1.64 C ATOM 0 H MET B 56 19.323 13.356 6.297 1.00 0.82 H new ATOM 0 HA MET B 56 17.289 15.326 6.021 1.00 1.03 H new ATOM 0 HB2 MET B 56 19.365 14.773 8.188 1.00 1.39 H new ATOM 0 HB3 MET B 56 17.908 15.724 8.399 1.00 1.39 H new ATOM 0 HG2 MET B 56 17.606 12.877 7.488 1.00 1.55 H new ATOM 0 HG3 MET B 56 18.067 13.163 9.154 1.00 1.55 H new ATOM 0 HE1 MET B 56 15.394 13.890 11.073 1.00 1.64 H new ATOM 0 HE2 MET B 56 17.108 14.227 10.732 1.00 1.64 H new ATOM 0 HE3 MET B 56 15.891 15.510 10.529 1.00 1.64 H new ATOM 2412 N LYS B 57 20.316 16.413 5.608 1.00 1.14 N ATOM 2413 CA LYS B 57 21.097 17.553 5.119 1.00 1.34 C ATOM 2414 C LYS B 57 20.757 17.927 3.668 1.00 1.26 C ATOM 2415 O LYS B 57 20.873 19.090 3.291 1.00 1.47 O ATOM 2416 CB LYS B 57 22.607 17.280 5.293 1.00 1.59 C ATOM 2417 CG LYS B 57 23.320 18.354 6.126 1.00 2.23 C ATOM 2418 CD LYS B 57 23.179 19.770 5.548 1.00 2.53 C ATOM 2419 CE LYS B 57 23.947 20.761 6.436 1.00 3.70 C ATOM 2420 NZ LYS B 57 23.479 22.160 6.262 1.00 5.10 N ATOM 0 H LYS B 57 20.830 15.533 5.563 1.00 1.14 H new ATOM 0 HA LYS B 57 20.825 18.418 5.725 1.00 1.34 H new ATOM 0 HB2 LYS B 57 22.742 16.309 5.770 1.00 1.59 H new ATOM 0 HB3 LYS B 57 23.075 17.220 4.310 1.00 1.59 H new ATOM 0 HG2 LYS B 57 22.919 18.342 7.140 1.00 2.23 H new ATOM 0 HG3 LYS B 57 24.378 18.103 6.199 1.00 2.23 H new ATOM 0 HD2 LYS B 57 23.568 19.800 4.530 1.00 2.53 H new ATOM 0 HD3 LYS B 57 22.127 20.051 5.496 1.00 2.53 H new ATOM 0 HE2 LYS B 57 23.834 20.471 7.481 1.00 3.70 H new ATOM 0 HE3 LYS B 57 25.010 20.705 6.202 1.00 3.70 H new ATOM 0 HZ1 LYS B 57 24.016 22.787 6.894 1.00 5.10 H new ATOM 0 HZ2 LYS B 57 23.626 22.455 5.276 1.00 5.10 H new ATOM 0 HZ3 LYS B 57 22.467 22.219 6.494 1.00 5.10 H new ATOM 2434 N SER B 58 20.269 16.983 2.867 1.00 1.06 N ATOM 2435 CA SER B 58 19.664 17.233 1.540 1.00 1.13 C ATOM 2436 C SER B 58 18.298 17.965 1.617 1.00 1.10 C ATOM 2437 O SER B 58 17.929 18.744 0.731 1.00 1.37 O ATOM 2438 CB SER B 58 19.539 15.904 0.785 1.00 1.13 C ATOM 2439 OG SER B 58 19.369 16.155 -0.597 1.00 1.83 O ATOM 0 H SER B 58 20.279 15.995 3.119 1.00 1.06 H new ATOM 0 HA SER B 58 20.326 17.908 0.997 1.00 1.13 H new ATOM 0 HB2 SER B 58 20.430 15.297 0.947 1.00 1.13 H new ATOM 0 HB3 SER B 58 18.692 15.335 1.168 1.00 1.13 H new ATOM 0 HG SER B 58 19.291 15.304 -1.077 1.00 1.83 H new ATOM 2445 N LEU B 59 17.555 17.789 2.718 1.00 0.92 N ATOM 2446 CA LEU B 59 16.399 18.632 3.056 1.00 1.02 C ATOM 2447 C LEU B 59 16.841 20.060 3.403 1.00 1.16 C ATOM 2448 O LEU B 59 16.408 21.032 2.785 1.00 1.34 O ATOM 2449 CB LEU B 59 15.608 17.990 4.218 1.00 1.02 C ATOM 2450 CG LEU B 59 15.022 16.592 3.935 1.00 0.97 C ATOM 2451 CD1 LEU B 59 14.233 16.141 5.170 1.00 1.10 C ATOM 2452 CD2 LEU B 59 14.122 16.571 2.690 1.00 1.03 C ATOM 0 H LEU B 59 17.739 17.055 3.402 1.00 0.92 H new ATOM 0 HA LEU B 59 15.745 18.700 2.186 1.00 1.02 H new ATOM 0 HB2 LEU B 59 16.265 17.920 5.085 1.00 1.02 H new ATOM 0 HB3 LEU B 59 14.791 18.658 4.490 1.00 1.02 H new ATOM 0 HG LEU B 59 15.845 15.908 3.731 1.00 0.97 H new ATOM 0 HD11 LEU B 59 13.810 15.153 4.990 1.00 1.10 H new ATOM 0 HD12 LEU B 59 14.899 16.099 6.032 1.00 1.10 H new ATOM 0 HD13 LEU B 59 13.429 16.850 5.367 1.00 1.10 H new ATOM 0 HD21 LEU B 59 13.736 15.563 2.537 1.00 1.03 H new ATOM 0 HD22 LEU B 59 13.290 17.261 2.831 1.00 1.03 H new ATOM 0 HD23 LEU B 59 14.701 16.874 1.818 1.00 1.03 H new ATOM 2464 N ASP B 60 17.749 20.169 4.377 1.00 1.24 N ATOM 2465 CA ASP B 60 18.297 21.425 4.900 1.00 1.51 C ATOM 2466 C ASP B 60 19.161 22.214 3.888 1.00 1.64 C ATOM 2467 O ASP B 60 19.454 23.388 4.104 1.00 1.94 O ATOM 2468 CB ASP B 60 19.073 21.093 6.176 1.00 1.77 C ATOM 2469 CG ASP B 60 19.611 22.335 6.887 1.00 1.81 C ATOM 2470 OD1 ASP B 60 18.774 23.160 7.324 1.00 2.37 O ATOM 2471 OD2 ASP B 60 20.858 22.425 7.002 1.00 2.54 O ATOM 0 H ASP B 60 18.139 19.350 4.843 1.00 1.24 H new ATOM 0 HA ASP B 60 17.468 22.100 5.112 1.00 1.51 H new ATOM 0 HB2 ASP B 60 18.423 20.544 6.857 1.00 1.77 H new ATOM 0 HB3 ASP B 60 19.905 20.434 5.928 1.00 1.77 H new ATOM 2476 N LYS B 61 19.561 21.595 2.770 1.00 1.60 N ATOM 2477 CA LYS B 61 20.382 22.201 1.730 1.00 1.94 C ATOM 2478 C LYS B 61 19.829 23.557 1.250 1.00 2.16 C ATOM 2479 O LYS B 61 20.609 24.494 1.080 1.00 2.78 O ATOM 2480 CB LYS B 61 20.521 21.186 0.567 1.00 1.89 C ATOM 2481 CG LYS B 61 21.940 21.075 -0.021 1.00 2.46 C ATOM 2482 CD LYS B 61 22.583 22.420 -0.386 1.00 3.46 C ATOM 2483 CE LYS B 61 21.812 23.153 -1.496 1.00 4.61 C ATOM 2484 NZ LYS B 61 21.918 24.628 -1.380 1.00 6.70 N ATOM 0 H LYS B 61 19.311 20.628 2.564 1.00 1.60 H new ATOM 0 HA LYS B 61 21.366 22.427 2.141 1.00 1.94 H new ATOM 0 HB2 LYS B 61 20.211 20.203 0.921 1.00 1.89 H new ATOM 0 HB3 LYS B 61 19.833 21.470 -0.229 1.00 1.89 H new ATOM 0 HG2 LYS B 61 22.579 20.564 0.699 1.00 2.46 H new ATOM 0 HG3 LYS B 61 21.902 20.450 -0.913 1.00 2.46 H new ATOM 0 HD2 LYS B 61 22.627 23.052 0.501 1.00 3.46 H new ATOM 0 HD3 LYS B 61 23.610 22.253 -0.710 1.00 3.46 H new ATOM 0 HE2 LYS B 61 22.194 22.839 -2.468 1.00 4.61 H new ATOM 0 HE3 LYS B 61 20.762 22.863 -1.458 1.00 4.61 H new ATOM 0 HZ1 LYS B 61 21.003 25.062 -1.617 1.00 6.70 H new ATOM 0 HZ2 LYS B 61 22.179 24.882 -0.406 1.00 6.70 H new ATOM 0 HZ3 LYS B 61 22.646 24.976 -2.036 1.00 6.70 H new ATOM 2498 N ASN B 62 18.512 23.640 1.026 1.00 1.79 N ATOM 2499 CA ASN B 62 17.799 24.900 0.759 1.00 2.21 C ATOM 2500 C ASN B 62 16.821 25.214 1.915 1.00 2.13 C ATOM 2501 O ASN B 62 16.855 26.303 2.480 1.00 3.13 O ATOM 2502 CB ASN B 62 17.080 24.825 -0.601 1.00 2.47 C ATOM 2503 CG ASN B 62 17.983 24.602 -1.813 1.00 2.71 C ATOM 2504 OD1 ASN B 62 19.196 24.767 -1.782 1.00 3.77 O ATOM 2505 ND2 ASN B 62 17.422 24.187 -2.930 1.00 2.35 N ATOM 0 H ASN B 62 17.901 22.823 1.025 1.00 1.79 H new ATOM 0 HA ASN B 62 18.517 25.719 0.705 1.00 2.21 H new ATOM 0 HB2 ASN B 62 16.349 24.017 -0.561 1.00 2.47 H new ATOM 0 HB3 ASN B 62 16.524 25.751 -0.750 1.00 2.47 H new ATOM 0 HD21 ASN B 62 17.997 24.008 -3.753 1.00 2.35 H new ATOM 0 HD22 ASN B 62 16.413 24.045 -2.972 1.00 2.35 H new ATOM 2512 N SER B 63 16.045 24.207 2.352 1.00 1.34 N ATOM 2513 CA SER B 63 15.292 24.112 3.627 1.00 1.22 C ATOM 2514 C SER B 63 13.928 24.826 3.668 1.00 1.08 C ATOM 2515 O SER B 63 13.146 24.645 4.595 1.00 1.31 O ATOM 2516 CB SER B 63 16.159 24.505 4.832 1.00 1.75 C ATOM 2517 OG SER B 63 16.294 25.900 5.033 1.00 2.10 O ATOM 0 H SER B 63 15.914 23.371 1.783 1.00 1.34 H new ATOM 0 HA SER B 63 15.040 23.053 3.692 1.00 1.22 H new ATOM 0 HB2 SER B 63 15.730 24.062 5.731 1.00 1.75 H new ATOM 0 HB3 SER B 63 17.151 24.072 4.705 1.00 1.75 H new ATOM 0 HG SER B 63 16.702 26.307 4.240 1.00 2.10 H new ATOM 2523 N ASP B 64 13.632 25.603 2.640 1.00 0.96 N ATOM 2524 CA ASP B 64 12.544 26.566 2.493 1.00 1.01 C ATOM 2525 C ASP B 64 11.362 25.934 1.748 1.00 1.21 C ATOM 2526 O ASP B 64 10.202 26.080 2.133 1.00 2.11 O ATOM 2527 CB ASP B 64 13.132 27.742 1.676 1.00 1.63 C ATOM 2528 CG ASP B 64 13.669 27.328 0.286 1.00 3.84 C ATOM 2529 OD1 ASP B 64 14.437 26.336 0.219 1.00 5.09 O ATOM 2530 OD2 ASP B 64 13.220 27.914 -0.718 1.00 5.07 O ATOM 0 H ASP B 64 14.206 25.575 1.797 1.00 0.96 H new ATOM 0 HA ASP B 64 12.168 26.897 3.461 1.00 1.01 H new ATOM 0 HB2 ASP B 64 12.362 28.503 1.546 1.00 1.63 H new ATOM 0 HB3 ASP B 64 13.940 28.200 2.246 1.00 1.63 H new ATOM 2535 N GLN B 65 11.719 25.197 0.699 1.00 0.96 N ATOM 2536 CA GLN B 65 10.881 24.566 -0.299 1.00 1.04 C ATOM 2537 C GLN B 65 9.880 23.571 0.275 1.00 0.93 C ATOM 2538 O GLN B 65 10.165 22.888 1.258 1.00 0.97 O ATOM 2539 CB GLN B 65 11.815 23.772 -1.198 1.00 1.25 C ATOM 2540 CG GLN B 65 12.584 24.572 -2.254 1.00 1.61 C ATOM 2541 CD GLN B 65 13.428 23.616 -3.085 1.00 2.44 C ATOM 2542 OE1 GLN B 65 14.632 23.481 -2.925 1.00 3.05 O ATOM 2543 NE2 GLN B 65 12.816 22.868 -3.975 1.00 3.29 N ATOM 0 H GLN B 65 12.705 25.013 0.515 1.00 0.96 H new ATOM 0 HA GLN B 65 10.313 25.349 -0.802 1.00 1.04 H new ATOM 0 HB2 GLN B 65 12.538 23.254 -0.568 1.00 1.25 H new ATOM 0 HB3 GLN B 65 11.230 23.006 -1.708 1.00 1.25 H new ATOM 0 HG2 GLN B 65 11.889 25.114 -2.895 1.00 1.61 H new ATOM 0 HG3 GLN B 65 13.220 25.315 -1.773 1.00 1.61 H new ATOM 0 HE21 GLN B 65 11.811 22.968 -4.121 1.00 3.29 H new ATOM 0 HE22 GLN B 65 13.345 22.187 -4.520 1.00 3.29 H new ATOM 2552 N GLU B 66 8.747 23.426 -0.410 1.00 0.93 N ATOM 2553 CA GLU B 66 7.623 22.663 0.097 1.00 0.72 C ATOM 2554 C GLU B 66 7.650 21.181 -0.285 1.00 0.75 C ATOM 2555 O GLU B 66 7.888 20.829 -1.442 1.00 1.13 O ATOM 2556 CB GLU B 66 6.312 23.289 -0.394 1.00 0.83 C ATOM 2557 CG GLU B 66 6.051 24.670 0.211 1.00 1.05 C ATOM 2558 CD GLU B 66 4.860 25.317 -0.489 1.00 1.53 C ATOM 2559 OE1 GLU B 66 3.716 24.948 -0.135 1.00 2.04 O ATOM 2560 OE2 GLU B 66 5.114 26.147 -1.387 1.00 2.88 O ATOM 0 H GLU B 66 8.589 23.836 -1.330 1.00 0.93 H new ATOM 0 HA GLU B 66 7.696 22.703 1.184 1.00 0.72 H new ATOM 0 HB2 GLU B 66 6.339 23.373 -1.480 1.00 0.83 H new ATOM 0 HB3 GLU B 66 5.483 22.626 -0.146 1.00 0.83 H new ATOM 0 HG2 GLU B 66 5.853 24.579 1.279 1.00 1.05 H new ATOM 0 HG3 GLU B 66 6.935 25.299 0.103 1.00 1.05 H new ATOM 2567 N ILE B 67 7.338 20.325 0.688 1.00 0.64 N ATOM 2568 CA ILE B 67 7.019 18.904 0.494 1.00 0.74 C ATOM 2569 C ILE B 67 5.503 18.695 0.502 1.00 0.78 C ATOM 2570 O ILE B 67 4.808 19.221 1.368 1.00 0.83 O ATOM 2571 CB ILE B 67 7.699 18.049 1.589 1.00 1.10 C ATOM 2572 CG1 ILE B 67 9.239 18.109 1.456 1.00 1.23 C ATOM 2573 CG2 ILE B 67 7.205 16.586 1.565 1.00 2.27 C ATOM 2574 CD1 ILE B 67 9.869 19.146 2.389 1.00 1.77 C ATOM 0 H ILE B 67 7.298 20.608 1.667 1.00 0.64 H new ATOM 0 HA ILE B 67 7.402 18.585 -0.475 1.00 0.74 H new ATOM 0 HB ILE B 67 7.418 18.473 2.553 1.00 1.10 H new ATOM 0 HG12 ILE B 67 9.658 17.127 1.675 1.00 1.23 H new ATOM 0 HG13 ILE B 67 9.502 18.345 0.425 1.00 1.23 H new ATOM 0 HG21 ILE B 67 7.707 16.020 2.349 1.00 2.27 H new ATOM 0 HG22 ILE B 67 6.128 16.563 1.733 1.00 2.27 H new ATOM 0 HG23 ILE B 67 7.431 16.142 0.596 1.00 2.27 H new ATOM 0 HD11 ILE B 67 10.951 19.146 2.255 1.00 1.77 H new ATOM 0 HD12 ILE B 67 9.474 20.134 2.154 1.00 1.77 H new ATOM 0 HD13 ILE B 67 9.632 18.897 3.423 1.00 1.77 H new ATOM 2586 N ASP B 68 5.026 17.850 -0.409 1.00 0.97 N ATOM 2587 CA ASP B 68 3.623 17.507 -0.677 1.00 1.46 C ATOM 2588 C ASP B 68 3.274 16.042 -0.317 1.00 1.92 C ATOM 2589 O ASP B 68 2.637 15.326 -1.089 1.00 3.78 O ATOM 2590 CB ASP B 68 3.364 17.817 -2.165 1.00 1.85 C ATOM 2591 CG ASP B 68 4.152 16.941 -3.158 1.00 2.37 C ATOM 2592 OD1 ASP B 68 5.196 16.328 -2.800 1.00 2.75 O ATOM 2593 OD2 ASP B 68 3.729 16.854 -4.336 1.00 3.39 O ATOM 0 H ASP B 68 5.657 17.345 -1.031 1.00 0.97 H new ATOM 0 HA ASP B 68 2.970 18.101 -0.038 1.00 1.46 H new ATOM 0 HB2 ASP B 68 2.299 17.699 -2.365 1.00 1.85 H new ATOM 0 HB3 ASP B 68 3.610 18.862 -2.351 1.00 1.85 H new ATOM 2598 N PHE B 69 3.769 15.562 0.832 1.00 1.08 N ATOM 2599 CA PHE B 69 3.557 14.215 1.415 1.00 1.03 C ATOM 2600 C PHE B 69 4.345 13.091 0.697 1.00 1.03 C ATOM 2601 O PHE B 69 4.627 12.044 1.280 1.00 1.02 O ATOM 2602 CB PHE B 69 2.049 13.873 1.481 1.00 1.13 C ATOM 2603 CG PHE B 69 1.618 13.010 2.661 1.00 1.13 C ATOM 2604 CD1 PHE B 69 1.858 11.622 2.683 1.00 2.61 C ATOM 2605 CD2 PHE B 69 0.920 13.600 3.734 1.00 2.14 C ATOM 2606 CE1 PHE B 69 1.405 10.831 3.756 1.00 3.57 C ATOM 2607 CE2 PHE B 69 0.469 12.813 4.808 1.00 2.74 C ATOM 2608 CZ PHE B 69 0.708 11.428 4.821 1.00 3.19 C ATOM 0 H PHE B 69 4.369 16.137 1.424 1.00 1.08 H new ATOM 0 HA PHE B 69 3.958 14.263 2.427 1.00 1.03 H new ATOM 0 HB2 PHE B 69 1.485 14.805 1.511 1.00 1.13 H new ATOM 0 HB3 PHE B 69 1.771 13.362 0.560 1.00 1.13 H new ATOM 0 HD1 PHE B 69 2.395 11.160 1.868 1.00 2.61 H new ATOM 0 HD2 PHE B 69 0.730 14.663 3.731 1.00 2.14 H new ATOM 0 HE1 PHE B 69 1.593 9.767 3.761 1.00 3.57 H new ATOM 0 HE2 PHE B 69 -0.063 13.275 5.627 1.00 2.74 H new ATOM 0 HZ PHE B 69 0.358 10.825 5.646 1.00 3.19 H new ATOM 2618 N LYS B 70 4.761 13.287 -0.558 1.00 1.14 N ATOM 2619 CA LYS B 70 5.432 12.273 -1.378 1.00 1.20 C ATOM 2620 C LYS B 70 6.875 12.076 -0.937 1.00 0.95 C ATOM 2621 O LYS B 70 7.278 10.946 -0.643 1.00 0.91 O ATOM 2622 CB LYS B 70 5.362 12.741 -2.836 1.00 1.45 C ATOM 2623 CG LYS B 70 4.028 12.390 -3.506 1.00 2.13 C ATOM 2624 CD LYS B 70 3.620 13.460 -4.523 1.00 3.03 C ATOM 2625 CE LYS B 70 4.684 13.780 -5.591 1.00 3.86 C ATOM 2626 NZ LYS B 70 5.435 15.016 -5.265 1.00 4.95 N ATOM 0 H LYS B 70 4.638 14.176 -1.043 1.00 1.14 H new ATOM 0 HA LYS B 70 4.937 11.309 -1.264 1.00 1.20 H new ATOM 0 HB2 LYS B 70 5.511 13.820 -2.875 1.00 1.45 H new ATOM 0 HB3 LYS B 70 6.177 12.287 -3.399 1.00 1.45 H new ATOM 0 HG2 LYS B 70 4.111 11.424 -4.004 1.00 2.13 H new ATOM 0 HG3 LYS B 70 3.252 12.291 -2.747 1.00 2.13 H new ATOM 0 HD2 LYS B 70 2.709 13.135 -5.025 1.00 3.03 H new ATOM 0 HD3 LYS B 70 3.378 14.377 -3.986 1.00 3.03 H new ATOM 0 HE2 LYS B 70 5.378 12.944 -5.675 1.00 3.86 H new ATOM 0 HE3 LYS B 70 4.202 13.893 -6.562 1.00 3.86 H new ATOM 0 HZ1 LYS B 70 6.197 15.153 -5.960 1.00 4.95 H new ATOM 0 HZ2 LYS B 70 4.790 15.832 -5.293 1.00 4.95 H new ATOM 0 HZ3 LYS B 70 5.846 14.932 -4.313 1.00 4.95 H new ATOM 2640 N GLU B 71 7.625 13.183 -0.830 1.00 0.85 N ATOM 2641 CA GLU B 71 8.954 13.161 -0.232 1.00 0.65 C ATOM 2642 C GLU B 71 8.874 12.661 1.213 1.00 0.55 C ATOM 2643 O GLU B 71 9.759 11.943 1.644 1.00 0.61 O ATOM 2644 CB GLU B 71 9.680 14.514 -0.283 1.00 0.87 C ATOM 2645 CG GLU B 71 9.632 15.186 -1.659 1.00 1.05 C ATOM 2646 CD GLU B 71 10.759 16.214 -1.806 1.00 1.77 C ATOM 2647 OE1 GLU B 71 11.955 15.837 -1.814 1.00 2.30 O ATOM 2648 OE2 GLU B 71 10.432 17.417 -1.854 1.00 2.88 O ATOM 0 H GLU B 71 7.326 14.103 -1.153 1.00 0.85 H new ATOM 0 HA GLU B 71 9.547 12.474 -0.836 1.00 0.65 H new ATOM 0 HB2 GLU B 71 9.236 15.183 0.454 1.00 0.87 H new ATOM 0 HB3 GLU B 71 10.721 14.369 0.005 1.00 0.87 H new ATOM 0 HG2 GLU B 71 9.719 14.431 -2.440 1.00 1.05 H new ATOM 0 HG3 GLU B 71 8.668 15.676 -1.795 1.00 1.05 H new ATOM 2655 N TYR B 72 7.789 12.937 1.941 1.00 0.55 N ATOM 2656 CA TYR B 72 7.648 12.480 3.334 1.00 0.56 C ATOM 2657 C TYR B 72 7.624 10.944 3.424 1.00 0.59 C ATOM 2658 O TYR B 72 8.351 10.348 4.218 1.00 0.60 O ATOM 2659 CB TYR B 72 6.398 13.119 3.955 1.00 0.59 C ATOM 2660 CG TYR B 72 6.026 12.671 5.356 1.00 0.58 C ATOM 2661 CD1 TYR B 72 6.975 12.735 6.388 1.00 1.57 C ATOM 2662 CD2 TYR B 72 4.706 12.266 5.645 1.00 1.63 C ATOM 2663 CE1 TYR B 72 6.600 12.472 7.714 1.00 1.71 C ATOM 2664 CE2 TYR B 72 4.328 11.983 6.973 1.00 1.59 C ATOM 2665 CZ TYR B 72 5.271 12.112 8.017 1.00 0.80 C ATOM 2666 OH TYR B 72 4.918 11.913 9.313 1.00 0.99 O ATOM 0 H TYR B 72 6.994 13.474 1.593 1.00 0.55 H new ATOM 0 HA TYR B 72 8.518 12.802 3.906 1.00 0.56 H new ATOM 0 HB2 TYR B 72 6.541 14.200 3.970 1.00 0.59 H new ATOM 0 HB3 TYR B 72 5.552 12.918 3.298 1.00 0.59 H new ATOM 0 HD1 TYR B 72 8.000 12.988 6.160 1.00 1.57 H new ATOM 0 HD2 TYR B 72 3.984 12.173 4.847 1.00 1.63 H new ATOM 0 HE1 TYR B 72 7.332 12.546 8.505 1.00 1.71 H new ATOM 0 HE2 TYR B 72 3.319 11.668 7.192 1.00 1.59 H new ATOM 0 HH TYR B 72 5.709 12.003 9.885 1.00 0.99 H new ATOM 2676 N SER B 73 6.848 10.281 2.568 1.00 0.68 N ATOM 2677 CA SER B 73 6.755 8.824 2.553 1.00 0.78 C ATOM 2678 C SER B 73 7.971 8.120 1.942 1.00 0.82 C ATOM 2679 O SER B 73 8.440 7.151 2.550 1.00 0.85 O ATOM 2680 CB SER B 73 5.459 8.408 1.867 1.00 0.85 C ATOM 2681 OG SER B 73 5.354 8.927 0.557 1.00 1.77 O ATOM 0 H SER B 73 6.267 10.739 1.866 1.00 0.68 H new ATOM 0 HA SER B 73 6.746 8.495 3.592 1.00 0.78 H new ATOM 0 HB2 SER B 73 5.404 7.320 1.830 1.00 0.85 H new ATOM 0 HB3 SER B 73 4.611 8.750 2.460 1.00 0.85 H new ATOM 0 HG SER B 73 6.158 9.446 0.345 1.00 1.77 H new ATOM 2687 N VAL B 74 8.541 8.594 0.820 1.00 0.84 N ATOM 2688 CA VAL B 74 9.777 7.999 0.278 1.00 0.88 C ATOM 2689 C VAL B 74 11.004 8.290 1.137 1.00 0.89 C ATOM 2690 O VAL B 74 11.903 7.459 1.167 1.00 0.97 O ATOM 2691 CB VAL B 74 10.105 8.359 -1.183 1.00 0.93 C ATOM 2692 CG1 VAL B 74 8.969 7.926 -2.104 1.00 0.94 C ATOM 2693 CG2 VAL B 74 10.466 9.826 -1.436 1.00 0.93 C ATOM 0 H VAL B 74 8.173 9.375 0.277 1.00 0.84 H new ATOM 0 HA VAL B 74 9.547 6.934 0.301 1.00 0.88 H new ATOM 0 HB VAL B 74 11.015 7.804 -1.410 1.00 0.93 H new ATOM 0 HG11 VAL B 74 9.215 8.187 -3.133 1.00 0.94 H new ATOM 0 HG12 VAL B 74 8.829 6.848 -2.027 1.00 0.94 H new ATOM 0 HG13 VAL B 74 8.050 8.433 -1.811 1.00 0.94 H new ATOM 0 HG21 VAL B 74 10.679 9.971 -2.495 1.00 0.93 H new ATOM 0 HG22 VAL B 74 9.631 10.462 -1.143 1.00 0.93 H new ATOM 0 HG23 VAL B 74 11.346 10.090 -0.850 1.00 0.93 H new ATOM 2703 N PHE B 75 11.047 9.411 1.862 1.00 0.82 N ATOM 2704 CA PHE B 75 12.139 9.725 2.779 1.00 0.82 C ATOM 2705 C PHE B 75 12.018 8.924 4.071 1.00 0.81 C ATOM 2706 O PHE B 75 13.027 8.385 4.513 1.00 0.81 O ATOM 2707 CB PHE B 75 12.175 11.226 3.057 1.00 0.86 C ATOM 2708 CG PHE B 75 13.396 11.714 3.793 1.00 0.73 C ATOM 2709 CD1 PHE B 75 13.501 11.569 5.190 1.00 1.58 C ATOM 2710 CD2 PHE B 75 14.411 12.374 3.077 1.00 2.35 C ATOM 2711 CE1 PHE B 75 14.597 12.119 5.866 1.00 1.67 C ATOM 2712 CE2 PHE B 75 15.493 12.944 3.759 1.00 2.25 C ATOM 2713 CZ PHE B 75 15.586 12.813 5.152 1.00 0.64 C ATOM 0 H PHE B 75 10.321 10.127 1.827 1.00 0.82 H new ATOM 0 HA PHE B 75 13.080 9.441 2.309 1.00 0.82 H new ATOM 0 HB2 PHE B 75 12.107 11.757 2.107 1.00 0.86 H new ATOM 0 HB3 PHE B 75 11.291 11.493 3.636 1.00 0.86 H new ATOM 0 HD1 PHE B 75 12.739 11.035 5.738 1.00 1.58 H new ATOM 0 HD2 PHE B 75 14.356 12.441 2.001 1.00 2.35 H new ATOM 0 HE1 PHE B 75 14.681 12.009 6.937 1.00 1.67 H new ATOM 0 HE2 PHE B 75 16.254 13.483 3.214 1.00 2.25 H new ATOM 0 HZ PHE B 75 16.423 13.248 5.678 1.00 0.64 H new ATOM 2723 N LEU B 76 10.821 8.748 4.648 1.00 0.82 N ATOM 2724 CA LEU B 76 10.645 7.810 5.770 1.00 0.82 C ATOM 2725 C LEU B 76 11.013 6.381 5.360 1.00 0.86 C ATOM 2726 O LEU B 76 11.706 5.696 6.106 1.00 0.87 O ATOM 2727 CB LEU B 76 9.204 7.854 6.302 1.00 0.77 C ATOM 2728 CG LEU B 76 8.852 9.103 7.127 1.00 0.79 C ATOM 2729 CD1 LEU B 76 7.337 9.070 7.369 1.00 1.32 C ATOM 2730 CD2 LEU B 76 9.610 9.167 8.458 1.00 1.01 C ATOM 0 H LEU B 76 9.971 9.234 4.363 1.00 0.82 H new ATOM 0 HA LEU B 76 11.319 8.122 6.567 1.00 0.82 H new ATOM 0 HB2 LEU B 76 8.519 7.791 5.457 1.00 0.77 H new ATOM 0 HB3 LEU B 76 9.033 6.971 6.917 1.00 0.77 H new ATOM 0 HG LEU B 76 9.149 9.995 6.576 1.00 0.79 H new ATOM 0 HD11 LEU B 76 7.043 9.942 7.953 1.00 1.32 H new ATOM 0 HD12 LEU B 76 6.815 9.082 6.412 1.00 1.32 H new ATOM 0 HD13 LEU B 76 7.075 8.163 7.914 1.00 1.32 H new ATOM 0 HD21 LEU B 76 9.322 10.069 8.998 1.00 1.01 H new ATOM 0 HD22 LEU B 76 9.365 8.291 9.059 1.00 1.01 H new ATOM 0 HD23 LEU B 76 10.683 9.186 8.265 1.00 1.01 H new ATOM 2742 N THR B 77 10.613 5.959 4.154 1.00 0.90 N ATOM 2743 CA THR B 77 10.971 4.656 3.566 1.00 0.98 C ATOM 2744 C THR B 77 12.481 4.516 3.402 1.00 0.98 C ATOM 2745 O THR B 77 13.065 3.544 3.868 1.00 1.01 O ATOM 2746 CB THR B 77 10.252 4.500 2.224 1.00 1.08 C ATOM 2747 OG1 THR B 77 8.876 4.476 2.480 1.00 1.11 O ATOM 2748 CG2 THR B 77 10.644 3.217 1.490 1.00 1.26 C ATOM 0 H THR B 77 10.020 6.523 3.545 1.00 0.90 H new ATOM 0 HA THR B 77 10.652 3.861 4.240 1.00 0.98 H new ATOM 0 HB THR B 77 10.536 5.334 1.583 1.00 1.08 H new ATOM 0 HG1 THR B 77 8.562 5.385 2.667 1.00 1.11 H new ATOM 0 HG21 THR B 77 10.104 3.159 0.545 1.00 1.26 H new ATOM 0 HG22 THR B 77 11.716 3.222 1.295 1.00 1.26 H new ATOM 0 HG23 THR B 77 10.392 2.354 2.106 1.00 1.26 H new ATOM 2756 N MET B 78 13.119 5.505 2.775 1.00 0.98 N ATOM 2757 CA MET B 78 14.559 5.549 2.503 1.00 1.04 C ATOM 2758 C MET B 78 15.390 5.605 3.791 1.00 1.10 C ATOM 2759 O MET B 78 16.366 4.875 3.917 1.00 1.15 O ATOM 2760 CB MET B 78 14.837 6.748 1.586 1.00 1.06 C ATOM 2761 CG MET B 78 16.309 6.872 1.198 1.00 1.19 C ATOM 2762 SD MET B 78 16.636 8.014 -0.171 1.00 1.51 S ATOM 2763 CE MET B 78 15.853 9.527 0.451 1.00 1.41 C ATOM 0 H MET B 78 12.629 6.330 2.429 1.00 0.98 H new ATOM 0 HA MET B 78 14.862 4.629 2.003 1.00 1.04 H new ATOM 0 HB2 MET B 78 14.235 6.655 0.682 1.00 1.06 H new ATOM 0 HB3 MET B 78 14.520 7.663 2.087 1.00 1.06 H new ATOM 0 HG2 MET B 78 16.874 7.200 2.070 1.00 1.19 H new ATOM 0 HG3 MET B 78 16.684 5.885 0.928 1.00 1.19 H new ATOM 0 HE1 MET B 78 16.397 10.396 0.082 1.00 1.41 H new ATOM 0 HE2 MET B 78 14.821 9.571 0.104 1.00 1.41 H new ATOM 0 HE3 MET B 78 15.870 9.524 1.541 1.00 1.41 H new ATOM 2773 N LEU B 79 14.975 6.426 4.755 1.00 1.15 N ATOM 2774 CA LEU B 79 15.641 6.575 6.046 1.00 1.27 C ATOM 2775 C LEU B 79 15.462 5.330 6.922 1.00 1.25 C ATOM 2776 O LEU B 79 16.427 4.895 7.533 1.00 1.32 O ATOM 2777 CB LEU B 79 15.139 7.862 6.730 1.00 1.43 C ATOM 2778 CG LEU B 79 15.802 8.154 8.088 1.00 1.13 C ATOM 2779 CD1 LEU B 79 17.333 8.198 8.006 1.00 1.66 C ATOM 2780 CD2 LEU B 79 15.285 9.487 8.648 1.00 1.82 C ATOM 0 H LEU B 79 14.150 7.017 4.657 1.00 1.15 H new ATOM 0 HA LEU B 79 16.715 6.670 5.889 1.00 1.27 H new ATOM 0 HB2 LEU B 79 15.314 8.707 6.064 1.00 1.43 H new ATOM 0 HB3 LEU B 79 14.061 7.787 6.873 1.00 1.43 H new ATOM 0 HG LEU B 79 15.534 7.332 8.752 1.00 1.13 H new ATOM 0 HD11 LEU B 79 17.744 8.408 8.993 1.00 1.66 H new ATOM 0 HD12 LEU B 79 17.706 7.236 7.654 1.00 1.66 H new ATOM 0 HD13 LEU B 79 17.638 8.981 7.312 1.00 1.66 H new ATOM 0 HD21 LEU B 79 15.759 9.686 9.609 1.00 1.82 H new ATOM 0 HD22 LEU B 79 15.524 10.291 7.952 1.00 1.82 H new ATOM 0 HD23 LEU B 79 14.205 9.431 8.781 1.00 1.82 H new ATOM 2792 N CYS B 80 14.280 4.708 6.939 1.00 1.19 N ATOM 2793 CA CYS B 80 14.073 3.428 7.618 1.00 1.20 C ATOM 2794 C CYS B 80 14.945 2.325 6.996 1.00 1.23 C ATOM 2795 O CYS B 80 15.651 1.617 7.705 1.00 1.40 O ATOM 2796 CB CYS B 80 12.573 3.090 7.589 1.00 1.12 C ATOM 2797 SG CYS B 80 12.209 1.764 8.774 1.00 1.29 S ATOM 0 H CYS B 80 13.444 5.076 6.485 1.00 1.19 H new ATOM 0 HA CYS B 80 14.386 3.502 8.659 1.00 1.20 H new ATOM 0 HB2 CYS B 80 11.988 3.977 7.833 1.00 1.12 H new ATOM 0 HB3 CYS B 80 12.281 2.781 6.585 1.00 1.12 H new ATOM 0 HG CYS B 80 10.992 1.343 8.594 1.00 1.29 H new ATOM 2803 N MET B 81 14.974 2.193 5.666 1.00 1.12 N ATOM 2804 CA MET B 81 15.826 1.201 4.991 1.00 1.13 C ATOM 2805 C MET B 81 17.316 1.576 4.941 1.00 1.34 C ATOM 2806 O MET B 81 18.117 0.751 4.512 1.00 1.60 O ATOM 2807 CB MET B 81 15.257 0.808 3.631 1.00 0.98 C ATOM 2808 CG MET B 81 15.563 1.800 2.506 1.00 2.42 C ATOM 2809 SD MET B 81 14.769 1.451 0.912 1.00 2.86 S ATOM 2810 CE MET B 81 14.686 -0.365 0.971 1.00 2.89 C ATOM 0 H MET B 81 14.415 2.762 5.030 1.00 1.12 H new ATOM 0 HA MET B 81 15.803 0.310 5.619 1.00 1.13 H new ATOM 0 HB2 MET B 81 15.652 -0.169 3.354 1.00 0.98 H new ATOM 0 HB3 MET B 81 14.176 0.701 3.720 1.00 0.98 H new ATOM 0 HG2 MET B 81 15.260 2.795 2.832 1.00 2.42 H new ATOM 0 HG3 MET B 81 16.642 1.828 2.355 1.00 2.42 H new ATOM 0 HE1 MET B 81 14.423 -0.749 -0.014 1.00 2.89 H new ATOM 0 HE2 MET B 81 15.656 -0.764 1.269 1.00 2.89 H new ATOM 0 HE3 MET B 81 13.930 -0.671 1.694 1.00 2.89 H new ATOM 2820 N ALA B 82 17.697 2.780 5.388 1.00 1.32 N ATOM 2821 CA ALA B 82 19.097 3.148 5.588 1.00 1.48 C ATOM 2822 C ALA B 82 19.740 2.395 6.766 1.00 1.51 C ATOM 2823 O ALA B 82 20.961 2.428 6.913 1.00 1.70 O ATOM 2824 CB ALA B 82 19.226 4.672 5.749 1.00 1.46 C ATOM 0 H ALA B 82 17.039 3.524 5.620 1.00 1.32 H new ATOM 0 HA ALA B 82 19.650 2.845 4.699 1.00 1.48 H new ATOM 0 HB1 ALA B 82 20.273 4.935 5.897 1.00 1.46 H new ATOM 0 HB2 ALA B 82 18.852 5.166 4.852 1.00 1.46 H new ATOM 0 HB3 ALA B 82 18.645 4.997 6.612 1.00 1.46 H new ATOM 2830 N TYR B 83 18.945 1.717 7.609 1.00 1.43 N ATOM 2831 CA TYR B 83 19.463 0.956 8.748 1.00 1.55 C ATOM 2832 C TYR B 83 18.559 -0.147 9.328 1.00 1.52 C ATOM 2833 O TYR B 83 19.052 -0.878 10.188 1.00 1.88 O ATOM 2834 CB TYR B 83 19.841 1.929 9.877 1.00 1.75 C ATOM 2835 CG TYR B 83 18.694 2.751 10.414 1.00 1.77 C ATOM 2836 CD1 TYR B 83 17.808 2.199 11.353 1.00 1.65 C ATOM 2837 CD2 TYR B 83 18.509 4.069 9.962 1.00 3.29 C ATOM 2838 CE1 TYR B 83 16.718 2.953 11.819 1.00 1.76 C ATOM 2839 CE2 TYR B 83 17.426 4.830 10.433 1.00 3.35 C ATOM 2840 CZ TYR B 83 16.507 4.269 11.344 1.00 1.96 C ATOM 2841 OH TYR B 83 15.418 4.977 11.748 1.00 2.10 O ATOM 0 H TYR B 83 17.930 1.683 7.518 1.00 1.43 H new ATOM 0 HA TYR B 83 20.318 0.419 8.338 1.00 1.55 H new ATOM 0 HB2 TYR B 83 20.277 1.360 10.698 1.00 1.75 H new ATOM 0 HB3 TYR B 83 20.614 2.605 9.512 1.00 1.75 H new ATOM 0 HD1 TYR B 83 17.964 1.194 11.717 1.00 1.65 H new ATOM 0 HD2 TYR B 83 19.200 4.497 9.252 1.00 3.29 H new ATOM 0 HE1 TYR B 83 16.039 2.527 12.542 1.00 1.76 H new ATOM 0 HE2 TYR B 83 17.297 5.848 10.096 1.00 3.35 H new ATOM 0 HH TYR B 83 15.428 5.862 11.327 1.00 2.10 H new ATOM 2851 N ASN B 84 17.275 -0.266 8.970 1.00 1.54 N ATOM 2852 CA ASN B 84 16.372 -1.257 9.566 1.00 1.75 C ATOM 2853 C ASN B 84 16.805 -2.681 9.195 1.00 1.70 C ATOM 2854 O ASN B 84 16.647 -3.144 8.070 1.00 2.00 O ATOM 2855 CB ASN B 84 14.900 -0.976 9.219 1.00 1.95 C ATOM 2856 CG ASN B 84 13.906 -1.845 10.001 1.00 2.12 C ATOM 2857 OD1 ASN B 84 14.234 -2.872 10.578 1.00 2.83 O ATOM 2858 ND2 ASN B 84 12.650 -1.442 10.052 1.00 2.63 N ATOM 0 H ASN B 84 16.834 0.320 8.261 1.00 1.54 H new ATOM 0 HA ASN B 84 16.445 -1.170 10.650 1.00 1.75 H new ATOM 0 HB2 ASN B 84 14.684 0.074 9.415 1.00 1.95 H new ATOM 0 HB3 ASN B 84 14.750 -1.139 8.152 1.00 1.95 H new ATOM 0 HD21 ASN B 84 11.960 -1.986 10.570 1.00 2.63 H new ATOM 0 HD22 ASN B 84 12.369 -0.586 9.573 1.00 2.63 H new ATOM 2865 N ASP B 85 17.365 -3.353 10.193 1.00 1.94 N ATOM 2866 CA ASP B 85 17.880 -4.711 10.284 1.00 2.12 C ATOM 2867 C ASP B 85 16.936 -5.621 11.092 1.00 2.43 C ATOM 2868 O ASP B 85 16.932 -6.835 10.895 1.00 2.62 O ATOM 2869 CB ASP B 85 19.269 -4.623 10.974 1.00 2.69 C ATOM 2870 CG ASP B 85 19.437 -3.592 12.125 1.00 3.80 C ATOM 2871 OD1 ASP B 85 18.451 -2.994 12.630 1.00 4.85 O ATOM 2872 OD2 ASP B 85 20.599 -3.255 12.449 1.00 4.38 O ATOM 0 H ASP B 85 17.485 -2.884 11.091 1.00 1.94 H new ATOM 0 HA ASP B 85 17.960 -5.149 9.289 1.00 2.12 H new ATOM 0 HB2 ASP B 85 19.511 -5.610 11.369 1.00 2.69 H new ATOM 0 HB3 ASP B 85 20.011 -4.395 10.208 1.00 2.69 H new