USER MOD reduce.3.24.130724 H: found=0, std=0, add=1373, rem=0, adj=70 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 -160:sc=-0.00864 USER MOD Set 1.2: B 84 ASN : amide:sc= 0.939 X(o=0.93,f=0.67) USER MOD Set 2.1: B 15 THR OG1 : rot 139:sc= 1.26 USER MOD Set 2.2: B 72 TYR OH : rot 155:sc= 0.927 USER MOD Set 3.1: B 62 ASN : amide:sc= 0.159 X(o=0.31,f=-0.00045) USER MOD Set 3.2: B 65 GLN : amide:sc= 0.155 X(o=0.31,f=-0.00045) USER MOD Set 4.1: B 58 SER OG : rot 73:sc= 2.04 USER MOD Set 4.2: B 61 LYS NZ :NH3+ 139:sc= 1.51 (180deg=0.683) USER MOD Set 5.1: B 47 MET CE :methyl -156:sc= -0.174 (180deg=-1.2) USER MOD Set 5.2: B 83 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: B 32 LYS NZ :NH3+ -162:sc= 0.456 (180deg=0.171) USER MOD Set 6.2: B 63 SER OG : rot 34:sc= 1.28 USER MOD Set 7.1: B 25 SER OG : rot -172:sc= 1.5 USER MOD Set 7.2: B 28 THR OG1 : rot 136:sc= 2.27 USER MOD Set 8.1: B 18 LYS NZ :NH3+ -123:sc= 1.4 (180deg=0.0637) USER MOD Set 8.2: B 19 TYR OH : rot 180:sc= 0.00904 USER MOD Set 9.1: B 7 LYS NZ :NH3+ -150:sc= 1.22 (180deg=0.268) USER MOD Set 9.2: B 10 THR OG1 : rot 59:sc= 1.27 USER MOD Set10.1: A 80 CYS SG : rot -52:sc= 0.879 USER MOD Set10.2: A 83 TYR OH : rot 180:sc= 0 USER MOD Set10.3: A 84 ASN : amide:sc= 0.457 K(o=1.3,f=-0.14!) USER MOD Set11.1: A 77 THR OG1 : rot 84:sc= 0.912 USER MOD Set11.2: B 73 SER OG : rot -12:sc= 0.227 USER MOD Set12.1: A 73 SER OG : rot -175:sc= 0.471 USER MOD Set12.2: B 77 THR OG1 : rot 86:sc= 1.5 USER MOD Set13.1: A 58 SER OG : rot 136:sc= 2.22 USER MOD Set13.2: A 61 LYS NZ :NH3+ -111:sc= 1.78 (180deg=0.85) USER MOD Set14.1: A 32 LYS NZ :NH3+ 165:sc= 1.38 (180deg=-0.309) USER MOD Set14.2: A 63 SER OG : rot 144:sc= 2.24 USER MOD Set15.1: A 25 SER OG : rot -174:sc= 1.47 USER MOD Set15.2: A 28 THR OG1 : rot 163:sc= 2.27 USER MOD Set16.1: A 15 THR OG1 : rot -85:sc= 1.12 USER MOD Set16.2: A 72 TYR OH : rot 178:sc= 0.2 USER MOD Single : A 3 THR OG1 : rot 131:sc= 1.36 USER MOD Single : A 7 LYS NZ :NH3+ -171:sc= 1.5 (180deg=0.769!) USER MOD Single : A 10 THR OG1 : rot 88:sc= 1.27 USER MOD Single : A 11 THR OG1 : rot 74:sc= 1.28 USER MOD Single : A 12 MET CE :methyl -161:sc=-0.00799 (180deg=-0.938) USER MOD Single : A 14 THR OG1 : rot 91:sc= 1.21 USER MOD Single : A 17 HIS : no HE2:sc= -0.647 K(o=-0.65,f=-2.3) USER MOD Single : A 18 LYS NZ :NH3+ -143:sc= -0.234 (180deg=-0.855!) USER MOD Single : A 19 TYR OH : rot 6:sc= 1.23 USER MOD Single : A 20 SER OG : rot -133:sc= 0.679 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -176:sc= 1.87 (180deg=1.84) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= 1.2 (180deg=1.19) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -156:sc= 0.759 (180deg=0.351) USER MOD Single : A 50 SER OG : rot 95:sc= 1.2 USER MOD Single : A 51 SER OG : rot 180:sc= -0.0489 USER MOD Single : A 56 MET CE :methyl 160:sc= -0.364 (180deg=-1.45) USER MOD Single : A 57 LYS NZ :NH3+ -140:sc= 0.7 (180deg=-1.74) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.46) USER MOD Single : A 70 LYS NZ :NH3+ 150:sc= 0.346 (180deg=-0.859) USER MOD Single : A 78 MET CE :methyl 158:sc= -0.295 (180deg=-1.27) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 3 THR OG1 : rot 77:sc= 0.831 USER MOD Single : B 11 THR OG1 : rot 97:sc= 1.31 USER MOD Single : B 12 MET CE :methyl 169:sc= 0 (180deg=-0.0279) USER MOD Single : B 14 THR OG1 : rot 92:sc= 1.26 USER MOD Single : B 17 HIS : no HE2:sc= -0.389 K(o=-0.39,f=-3.4) USER MOD Single : B 20 SER OG : rot -140:sc= 0.898 USER MOD Single : B 26 LYS NZ :NH3+ 171:sc= 0.578 (180deg=0.548) USER MOD Single : B 30 SER OG : rot -109:sc= 1.36 USER MOD Single : B 35 LYS NZ :NH3+ 177:sc= 1.07 (180deg=0.945) USER MOD Single : B 39 LYS NZ :NH3+ 164:sc= 1.28 (180deg=1.15) USER MOD Single : B 40 LYS NZ :NH3+ 153:sc= 0.344 (180deg=-0.585!) USER MOD Single : B 43 CYS SG : rot -82:sc= 0.939 USER MOD Single : B 48 LYS NZ :NH3+ -143:sc= 0.6 (180deg=-0.801) USER MOD Single : B 50 SER OG : rot -21:sc= 1.27 USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 56 MET CE :methyl 170:sc= -0.435 (180deg=-0.732) USER MOD Single : B 57 LYS NZ :NH3+ -164:sc= 0.104 (180deg=-0.866!) USER MOD Single : B 70 LYS NZ :NH3+ 141:sc= -0.768 (180deg=-1.19!) USER MOD Single : B 78 MET CE :methyl 161:sc= -0.114 (180deg=-0.971) USER MOD Single : B 81 MET CE :methyl -136:sc= 0 (180deg=-0.0959) USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 9.334 3.219 21.036 1.00 1.66 N ATOM 18 CA GLU A 2 8.029 3.545 21.664 1.00 1.71 C ATOM 19 C GLU A 2 7.499 4.912 21.248 1.00 1.32 C ATOM 20 O GLU A 2 6.642 5.520 21.885 1.00 1.85 O ATOM 21 CB GLU A 2 7.956 3.294 23.183 1.00 2.81 C ATOM 22 CG GLU A 2 8.571 1.944 23.561 1.00 3.65 C ATOM 23 CD GLU A 2 8.149 0.819 22.615 1.00 4.26 C ATOM 24 OE1 GLU A 2 6.953 0.476 22.572 1.00 5.04 O ATOM 25 OE2 GLU A 2 8.978 0.429 21.762 1.00 4.48 O ATOM 0 HA GLU A 2 7.338 2.810 21.251 1.00 1.71 H new ATOM 0 HB2 GLU A 2 8.478 4.093 23.710 1.00 2.81 H new ATOM 0 HB3 GLU A 2 6.916 3.325 23.508 1.00 2.81 H new ATOM 0 HG2 GLU A 2 9.658 2.030 23.555 1.00 3.65 H new ATOM 0 HG3 GLU A 2 8.277 1.687 24.579 1.00 3.65 H new ATOM 32 N THR A 3 8.022 5.352 20.109 1.00 0.83 N ATOM 33 CA THR A 3 7.552 6.543 19.387 1.00 0.73 C ATOM 34 C THR A 3 6.322 6.191 18.537 1.00 0.75 C ATOM 35 O THR A 3 6.176 5.031 18.143 1.00 0.85 O ATOM 36 CB THR A 3 8.661 7.214 18.565 1.00 1.04 C ATOM 37 OG1 THR A 3 8.668 6.737 17.244 1.00 1.30 O ATOM 38 CG2 THR A 3 10.064 7.055 19.145 1.00 1.44 C ATOM 0 H THR A 3 8.802 4.885 19.646 1.00 0.83 H new ATOM 0 HA THR A 3 7.254 7.287 20.126 1.00 0.73 H new ATOM 0 HB THR A 3 8.418 8.276 18.595 1.00 1.04 H new ATOM 0 HG1 THR A 3 8.698 7.494 16.623 1.00 1.30 H new ATOM 0 HG21 THR A 3 10.784 7.560 18.500 1.00 1.44 H new ATOM 0 HG22 THR A 3 10.098 7.496 20.141 1.00 1.44 H new ATOM 0 HG23 THR A 3 10.314 5.996 19.208 1.00 1.44 H new ATOM 46 N PRO A 4 5.428 7.147 18.212 1.00 0.87 N ATOM 47 CA PRO A 4 4.192 6.825 17.508 1.00 0.97 C ATOM 48 C PRO A 4 4.447 6.445 16.049 1.00 0.93 C ATOM 49 O PRO A 4 3.879 5.463 15.580 1.00 0.96 O ATOM 50 CB PRO A 4 3.311 8.069 17.648 1.00 1.26 C ATOM 51 CG PRO A 4 4.318 9.212 17.797 1.00 1.35 C ATOM 52 CD PRO A 4 5.482 8.562 18.549 1.00 1.11 C ATOM 0 HA PRO A 4 3.702 5.949 17.932 1.00 0.97 H new ATOM 0 HB2 PRO A 4 2.673 8.208 16.775 1.00 1.26 H new ATOM 0 HB3 PRO A 4 2.654 7.999 18.515 1.00 1.26 H new ATOM 0 HG2 PRO A 4 4.632 9.600 16.828 1.00 1.35 H new ATOM 0 HG3 PRO A 4 3.897 10.049 18.354 1.00 1.35 H new ATOM 0 HD2 PRO A 4 6.434 9.000 18.250 1.00 1.11 H new ATOM 0 HD3 PRO A 4 5.386 8.712 19.624 1.00 1.11 H new ATOM 60 N LEU A 5 5.338 7.153 15.339 1.00 0.95 N ATOM 61 CA LEU A 5 5.701 6.774 13.974 1.00 1.05 C ATOM 62 C LEU A 5 6.401 5.413 13.926 1.00 1.02 C ATOM 63 O LEU A 5 6.150 4.655 12.986 1.00 1.12 O ATOM 64 CB LEU A 5 6.568 7.877 13.350 1.00 1.27 C ATOM 65 CG LEU A 5 6.987 7.572 11.895 1.00 1.65 C ATOM 66 CD1 LEU A 5 5.809 7.689 10.914 1.00 1.87 C ATOM 67 CD2 LEU A 5 8.148 8.466 11.457 1.00 2.42 C ATOM 0 H LEU A 5 5.815 7.984 15.688 1.00 0.95 H new ATOM 0 HA LEU A 5 4.787 6.669 13.389 1.00 1.05 H new ATOM 0 HB2 LEU A 5 6.019 8.818 13.373 1.00 1.27 H new ATOM 0 HB3 LEU A 5 7.462 8.014 13.958 1.00 1.27 H new ATOM 0 HG LEU A 5 7.323 6.535 11.874 1.00 1.65 H new ATOM 0 HD11 LEU A 5 6.153 7.466 9.904 1.00 1.87 H new ATOM 0 HD12 LEU A 5 5.029 6.982 11.196 1.00 1.87 H new ATOM 0 HD13 LEU A 5 5.409 8.702 10.945 1.00 1.87 H new ATOM 0 HD21 LEU A 5 8.422 8.229 10.429 1.00 2.42 H new ATOM 0 HD22 LEU A 5 7.846 9.511 11.521 1.00 2.42 H new ATOM 0 HD23 LEU A 5 9.005 8.295 12.109 1.00 2.42 H new ATOM 79 N GLU A 6 7.196 5.045 14.938 1.00 0.99 N ATOM 80 CA GLU A 6 7.728 3.686 15.026 1.00 1.12 C ATOM 81 C GLU A 6 6.584 2.665 14.958 1.00 1.05 C ATOM 82 O GLU A 6 6.721 1.643 14.294 1.00 1.18 O ATOM 83 CB GLU A 6 8.543 3.492 16.312 1.00 1.32 C ATOM 84 CG GLU A 6 9.159 2.091 16.386 1.00 1.71 C ATOM 85 CD GLU A 6 9.714 1.784 17.760 1.00 2.79 C ATOM 86 OE1 GLU A 6 8.942 1.783 18.743 1.00 3.99 O ATOM 87 OE2 GLU A 6 10.924 1.532 17.896 1.00 3.66 O ATOM 0 H GLU A 6 7.481 5.663 15.698 1.00 0.99 H new ATOM 0 HA GLU A 6 8.396 3.527 14.179 1.00 1.12 H new ATOM 0 HB2 GLU A 6 9.334 4.240 16.358 1.00 1.32 H new ATOM 0 HB3 GLU A 6 7.901 3.653 17.178 1.00 1.32 H new ATOM 0 HG2 GLU A 6 8.403 1.349 16.127 1.00 1.71 H new ATOM 0 HG3 GLU A 6 9.956 2.006 15.647 1.00 1.71 H new ATOM 94 N LYS A 7 5.422 2.941 15.561 1.00 0.91 N ATOM 95 CA LYS A 7 4.298 2.001 15.528 1.00 0.97 C ATOM 96 C LYS A 7 3.586 1.999 14.162 1.00 0.86 C ATOM 97 O LYS A 7 3.073 0.960 13.735 1.00 0.93 O ATOM 98 CB LYS A 7 3.348 2.229 16.724 1.00 1.14 C ATOM 99 CG LYS A 7 3.983 2.334 18.121 1.00 1.36 C ATOM 100 CD LYS A 7 5.285 1.542 18.282 1.00 2.22 C ATOM 101 CE LYS A 7 5.525 1.166 19.732 1.00 3.13 C ATOM 102 NZ LYS A 7 6.795 0.410 19.870 1.00 3.92 N ATOM 0 H LYS A 7 5.237 3.803 16.075 1.00 0.91 H new ATOM 0 HA LYS A 7 4.695 0.993 15.643 1.00 0.97 H new ATOM 0 HB2 LYS A 7 2.787 3.145 16.539 1.00 1.14 H new ATOM 0 HB3 LYS A 7 2.627 1.412 16.742 1.00 1.14 H new ATOM 0 HG2 LYS A 7 4.180 3.383 18.340 1.00 1.36 H new ATOM 0 HG3 LYS A 7 3.264 1.984 18.862 1.00 1.36 H new ATOM 0 HD2 LYS A 7 5.242 0.640 17.672 1.00 2.22 H new ATOM 0 HD3 LYS A 7 6.122 2.135 17.914 1.00 2.22 H new ATOM 0 HE2 LYS A 7 5.562 2.066 20.346 1.00 3.13 H new ATOM 0 HE3 LYS A 7 4.694 0.563 20.100 1.00 3.13 H new ATOM 0 HZ1 LYS A 7 6.870 0.030 20.835 1.00 3.92 H new ATOM 0 HZ2 LYS A 7 6.808 -0.374 19.187 1.00 3.92 H new ATOM 0 HZ3 LYS A 7 7.598 1.044 19.685 1.00 3.92 H new ATOM 116 N ALA A 8 3.634 3.109 13.420 1.00 0.75 N ATOM 117 CA ALA A 8 3.213 3.162 12.016 1.00 0.70 C ATOM 118 C ALA A 8 4.110 2.297 11.117 1.00 0.62 C ATOM 119 O ALA A 8 3.602 1.411 10.433 1.00 0.61 O ATOM 120 CB ALA A 8 3.207 4.621 11.554 1.00 0.87 C ATOM 0 H ALA A 8 3.969 4.003 13.779 1.00 0.75 H new ATOM 0 HA ALA A 8 2.207 2.751 11.934 1.00 0.70 H new ATOM 0 HB1 ALA A 8 2.895 4.671 10.511 1.00 0.87 H new ATOM 0 HB2 ALA A 8 2.513 5.194 12.168 1.00 0.87 H new ATOM 0 HB3 ALA A 8 4.209 5.038 11.654 1.00 0.87 H new ATOM 126 N LEU A 9 5.433 2.504 11.160 1.00 0.65 N ATOM 127 CA LEU A 9 6.398 1.724 10.378 1.00 0.67 C ATOM 128 C LEU A 9 6.372 0.251 10.805 1.00 0.67 C ATOM 129 O LEU A 9 6.260 -0.598 9.925 1.00 0.68 O ATOM 130 CB LEU A 9 7.804 2.357 10.463 1.00 0.75 C ATOM 131 CG LEU A 9 8.119 3.443 9.401 1.00 0.79 C ATOM 132 CD1 LEU A 9 8.289 2.846 7.994 1.00 1.01 C ATOM 133 CD2 LEU A 9 7.062 4.552 9.345 1.00 0.97 C ATOM 0 H LEU A 9 5.865 3.222 11.742 1.00 0.65 H new ATOM 0 HA LEU A 9 6.112 1.747 9.326 1.00 0.67 H new ATOM 0 HB2 LEU A 9 7.925 2.797 11.453 1.00 0.75 H new ATOM 0 HB3 LEU A 9 8.546 1.563 10.375 1.00 0.75 H new ATOM 0 HG LEU A 9 9.063 3.883 9.723 1.00 0.79 H new ATOM 0 HD11 LEU A 9 8.508 3.644 7.284 1.00 1.01 H new ATOM 0 HD12 LEU A 9 9.110 2.129 8.000 1.00 1.01 H new ATOM 0 HD13 LEU A 9 7.369 2.341 7.699 1.00 1.01 H new ATOM 0 HD21 LEU A 9 7.339 5.281 8.583 1.00 0.97 H new ATOM 0 HD22 LEU A 9 6.093 4.119 9.097 1.00 0.97 H new ATOM 0 HD23 LEU A 9 7.001 5.046 10.315 1.00 0.97 H new ATOM 145 N THR A 10 6.330 -0.053 12.116 1.00 0.69 N ATOM 146 CA THR A 10 6.101 -1.409 12.664 1.00 0.74 C ATOM 147 C THR A 10 4.887 -2.059 12.017 1.00 0.68 C ATOM 148 O THR A 10 4.992 -3.185 11.535 1.00 0.72 O ATOM 149 CB THR A 10 5.917 -1.409 14.185 1.00 0.89 C ATOM 150 OG1 THR A 10 7.067 -0.881 14.788 1.00 1.03 O ATOM 151 CG2 THR A 10 5.748 -2.821 14.742 1.00 1.20 C ATOM 0 H THR A 10 6.457 0.652 12.843 1.00 0.69 H new ATOM 0 HA THR A 10 6.998 -1.983 12.432 1.00 0.74 H new ATOM 0 HB THR A 10 5.025 -0.820 14.398 1.00 0.89 H new ATOM 0 HG1 THR A 10 6.986 0.094 14.849 1.00 1.03 H new ATOM 0 HG21 THR A 10 5.621 -2.773 15.823 1.00 1.20 H new ATOM 0 HG22 THR A 10 4.870 -3.286 14.294 1.00 1.20 H new ATOM 0 HG23 THR A 10 6.632 -3.413 14.507 1.00 1.20 H new ATOM 159 N THR A 11 3.752 -1.352 11.957 1.00 0.62 N ATOM 160 CA THR A 11 2.531 -1.843 11.307 1.00 0.60 C ATOM 161 C THR A 11 2.787 -2.129 9.833 1.00 0.54 C ATOM 162 O THR A 11 2.475 -3.227 9.379 1.00 0.55 O ATOM 163 CB THR A 11 1.374 -0.858 11.493 1.00 0.61 C ATOM 164 OG1 THR A 11 1.119 -0.722 12.865 1.00 0.88 O ATOM 165 CG2 THR A 11 0.086 -1.342 10.838 1.00 0.79 C ATOM 0 H THR A 11 3.654 -0.420 12.359 1.00 0.62 H new ATOM 0 HA THR A 11 2.242 -2.779 11.785 1.00 0.60 H new ATOM 0 HB THR A 11 1.669 0.083 11.028 1.00 0.61 H new ATOM 0 HG1 THR A 11 1.822 -0.177 13.276 1.00 0.88 H new ATOM 0 HG21 THR A 11 -0.703 -0.607 10.999 1.00 0.79 H new ATOM 0 HG22 THR A 11 0.248 -1.471 9.768 1.00 0.79 H new ATOM 0 HG23 THR A 11 -0.210 -2.294 11.278 1.00 0.79 H new ATOM 173 N MET A 12 3.406 -1.198 9.095 1.00 0.53 N ATOM 174 CA MET A 12 3.721 -1.366 7.666 1.00 0.52 C ATOM 175 C MET A 12 4.685 -2.529 7.405 1.00 0.52 C ATOM 176 O MET A 12 4.459 -3.292 6.473 1.00 0.50 O ATOM 177 CB MET A 12 4.318 -0.086 7.062 1.00 0.54 C ATOM 178 CG MET A 12 3.339 1.086 7.030 1.00 0.80 C ATOM 179 SD MET A 12 4.117 2.611 6.442 1.00 0.94 S ATOM 180 CE MET A 12 2.673 3.527 5.847 1.00 0.92 C ATOM 0 H MET A 12 3.705 -0.299 9.474 1.00 0.53 H new ATOM 0 HA MET A 12 2.769 -1.589 7.184 1.00 0.52 H new ATOM 0 HB2 MET A 12 5.198 0.202 7.637 1.00 0.54 H new ATOM 0 HB3 MET A 12 4.655 -0.296 6.047 1.00 0.54 H new ATOM 0 HG2 MET A 12 2.498 0.837 6.383 1.00 0.80 H new ATOM 0 HG3 MET A 12 2.936 1.248 8.030 1.00 0.80 H new ATOM 0 HE1 MET A 12 2.997 4.313 5.165 1.00 0.92 H new ATOM 0 HE2 MET A 12 2.001 2.847 5.324 1.00 0.92 H new ATOM 0 HE3 MET A 12 2.151 3.973 6.693 1.00 0.92 H new ATOM 190 N VAL A 13 5.749 -2.684 8.196 1.00 0.59 N ATOM 191 CA VAL A 13 6.747 -3.754 8.008 1.00 0.62 C ATOM 192 C VAL A 13 6.211 -5.116 8.455 1.00 0.64 C ATOM 193 O VAL A 13 6.567 -6.125 7.852 1.00 0.68 O ATOM 194 CB VAL A 13 8.117 -3.465 8.676 1.00 0.68 C ATOM 195 CG1 VAL A 13 8.721 -2.146 8.160 1.00 0.76 C ATOM 196 CG2 VAL A 13 8.049 -3.472 10.207 1.00 0.73 C ATOM 0 H VAL A 13 5.948 -2.073 8.988 1.00 0.59 H new ATOM 0 HA VAL A 13 6.929 -3.781 6.934 1.00 0.62 H new ATOM 0 HB VAL A 13 8.776 -4.285 8.389 1.00 0.68 H new ATOM 0 HG11 VAL A 13 9.681 -1.970 8.646 1.00 0.76 H new ATOM 0 HG12 VAL A 13 8.867 -2.210 7.082 1.00 0.76 H new ATOM 0 HG13 VAL A 13 8.044 -1.323 8.386 1.00 0.76 H new ATOM 0 HG21 VAL A 13 9.038 -3.264 10.616 1.00 0.73 H new ATOM 0 HG22 VAL A 13 7.349 -2.708 10.544 1.00 0.73 H new ATOM 0 HG23 VAL A 13 7.712 -4.450 10.552 1.00 0.73 H new ATOM 206 N THR A 14 5.323 -5.160 9.462 1.00 0.65 N ATOM 207 CA THR A 14 4.671 -6.400 9.923 1.00 0.70 C ATOM 208 C THR A 14 3.662 -6.886 8.891 1.00 0.70 C ATOM 209 O THR A 14 3.684 -8.063 8.549 1.00 0.83 O ATOM 210 CB THR A 14 4.013 -6.206 11.296 1.00 0.75 C ATOM 211 OG1 THR A 14 5.008 -5.796 12.197 1.00 0.90 O ATOM 212 CG2 THR A 14 3.412 -7.499 11.848 1.00 1.15 C ATOM 0 H THR A 14 5.035 -4.332 9.983 1.00 0.65 H new ATOM 0 HA THR A 14 5.438 -7.166 10.036 1.00 0.70 H new ATOM 0 HB THR A 14 3.213 -5.475 11.179 1.00 0.75 H new ATOM 0 HG1 THR A 14 5.056 -4.817 12.209 1.00 0.90 H new ATOM 0 HG21 THR A 14 2.960 -7.304 12.821 1.00 1.15 H new ATOM 0 HG22 THR A 14 2.650 -7.868 11.161 1.00 1.15 H new ATOM 0 HG23 THR A 14 4.197 -8.248 11.956 1.00 1.15 H new ATOM 220 N THR A 15 2.837 -5.988 8.341 1.00 0.60 N ATOM 221 CA THR A 15 1.912 -6.294 7.233 1.00 0.57 C ATOM 222 C THR A 15 2.635 -6.597 5.928 1.00 0.54 C ATOM 223 O THR A 15 2.144 -7.427 5.174 1.00 0.72 O ATOM 224 CB THR A 15 0.872 -5.195 7.014 1.00 0.57 C ATOM 225 OG1 THR A 15 1.498 -3.945 7.012 1.00 1.08 O ATOM 226 CG2 THR A 15 -0.194 -5.210 8.107 1.00 0.91 C ATOM 0 H THR A 15 2.789 -5.018 8.652 1.00 0.60 H new ATOM 0 HA THR A 15 1.388 -7.198 7.543 1.00 0.57 H new ATOM 0 HB THR A 15 0.391 -5.380 6.054 1.00 0.57 H new ATOM 0 HG1 THR A 15 1.588 -3.623 7.933 1.00 1.08 H new ATOM 0 HG21 THR A 15 -0.917 -4.416 7.921 1.00 0.91 H new ATOM 0 HG22 THR A 15 -0.704 -6.173 8.105 1.00 0.91 H new ATOM 0 HG23 THR A 15 0.277 -5.051 9.077 1.00 0.91 H new ATOM 234 N PHE A 16 3.816 -6.032 5.663 1.00 0.52 N ATOM 235 CA PHE A 16 4.645 -6.458 4.529 1.00 0.55 C ATOM 236 C PHE A 16 5.212 -7.871 4.750 1.00 0.60 C ATOM 237 O PHE A 16 5.103 -8.732 3.881 1.00 0.64 O ATOM 238 CB PHE A 16 5.751 -5.422 4.303 1.00 0.66 C ATOM 239 CG PHE A 16 6.463 -5.537 2.975 1.00 0.61 C ATOM 240 CD1 PHE A 16 5.934 -4.906 1.831 1.00 1.66 C ATOM 241 CD2 PHE A 16 7.668 -6.253 2.880 1.00 1.78 C ATOM 242 CE1 PHE A 16 6.628 -4.951 0.612 1.00 1.78 C ATOM 243 CE2 PHE A 16 8.340 -6.335 1.649 1.00 1.71 C ATOM 244 CZ PHE A 16 7.835 -5.663 0.523 1.00 0.73 C ATOM 0 H PHE A 16 4.221 -5.278 6.218 1.00 0.52 H new ATOM 0 HA PHE A 16 4.031 -6.514 3.630 1.00 0.55 H new ATOM 0 HB2 PHE A 16 5.318 -4.425 4.382 1.00 0.66 H new ATOM 0 HB3 PHE A 16 6.486 -5.515 5.103 1.00 0.66 H new ATOM 0 HD1 PHE A 16 4.990 -4.385 1.893 1.00 1.66 H new ATOM 0 HD2 PHE A 16 8.077 -6.740 3.753 1.00 1.78 H new ATOM 0 HE1 PHE A 16 6.235 -4.440 -0.254 1.00 1.78 H new ATOM 0 HE2 PHE A 16 9.247 -6.916 1.568 1.00 1.71 H new ATOM 0 HZ PHE A 16 8.376 -5.694 -0.411 1.00 0.73 H new ATOM 254 N HIS A 17 5.748 -8.155 5.942 1.00 0.69 N ATOM 255 CA HIS A 17 6.256 -9.479 6.317 1.00 0.83 C ATOM 256 C HIS A 17 5.153 -10.566 6.351 1.00 0.92 C ATOM 257 O HIS A 17 5.457 -11.751 6.230 1.00 1.20 O ATOM 258 CB HIS A 17 6.978 -9.355 7.667 1.00 0.90 C ATOM 259 CG HIS A 17 7.823 -10.548 8.045 1.00 1.25 C ATOM 260 ND1 HIS A 17 7.373 -11.810 8.362 1.00 2.09 N ATOM 261 CD2 HIS A 17 9.188 -10.571 8.158 1.00 1.53 C ATOM 262 CE1 HIS A 17 8.440 -12.570 8.665 1.00 2.37 C ATOM 263 NE2 HIS A 17 9.572 -11.853 8.558 1.00 1.95 N ATOM 0 H HIS A 17 5.842 -7.461 6.684 1.00 0.69 H new ATOM 0 HA HIS A 17 6.955 -9.814 5.550 1.00 0.83 H new ATOM 0 HB2 HIS A 17 7.614 -8.470 7.643 1.00 0.90 H new ATOM 0 HB3 HIS A 17 6.234 -9.192 8.447 1.00 0.90 H new ATOM 0 HD1 HIS A 17 6.400 -12.115 8.366 1.00 2.09 H new ATOM 0 HD2 HIS A 17 9.853 -9.741 7.970 1.00 1.53 H new ATOM 0 HE1 HIS A 17 8.394 -13.610 8.954 1.00 2.37 H new ATOM 272 N LYS A 18 3.876 -10.185 6.445 1.00 0.82 N ATOM 273 CA LYS A 18 2.719 -11.077 6.260 1.00 0.97 C ATOM 274 C LYS A 18 2.589 -11.641 4.822 1.00 0.87 C ATOM 275 O LYS A 18 1.904 -12.647 4.641 1.00 1.12 O ATOM 276 CB LYS A 18 1.468 -10.298 6.714 1.00 1.08 C ATOM 277 CG LYS A 18 0.202 -11.126 6.993 1.00 1.56 C ATOM 278 CD LYS A 18 -0.838 -10.964 5.872 1.00 2.31 C ATOM 279 CE LYS A 18 -2.238 -11.465 6.243 1.00 2.92 C ATOM 280 NZ LYS A 18 -2.961 -10.473 7.076 1.00 3.36 N ATOM 0 H LYS A 18 3.607 -9.224 6.657 1.00 0.82 H new ATOM 0 HA LYS A 18 2.850 -11.972 6.868 1.00 0.97 H new ATOM 0 HB2 LYS A 18 1.721 -9.747 7.620 1.00 1.08 H new ATOM 0 HB3 LYS A 18 1.230 -9.560 5.948 1.00 1.08 H new ATOM 0 HG2 LYS A 18 0.469 -12.178 7.093 1.00 1.56 H new ATOM 0 HG3 LYS A 18 -0.234 -10.816 7.943 1.00 1.56 H new ATOM 0 HD2 LYS A 18 -0.901 -9.911 5.598 1.00 2.31 H new ATOM 0 HD3 LYS A 18 -0.493 -11.503 4.989 1.00 2.31 H new ATOM 0 HE2 LYS A 18 -2.807 -11.665 5.335 1.00 2.92 H new ATOM 0 HE3 LYS A 18 -2.158 -12.408 6.784 1.00 2.92 H new ATOM 0 HZ1 LYS A 18 -3.530 -10.969 7.791 1.00 3.36 H new ATOM 0 HZ2 LYS A 18 -2.275 -9.852 7.550 1.00 3.36 H new ATOM 0 HZ3 LYS A 18 -3.585 -9.902 6.472 1.00 3.36 H new ATOM 294 N TYR A 19 3.247 -11.024 3.830 1.00 0.62 N ATOM 295 CA TYR A 19 3.286 -11.461 2.422 1.00 0.61 C ATOM 296 C TYR A 19 4.711 -11.729 1.877 1.00 0.76 C ATOM 297 O TYR A 19 4.855 -12.586 1.019 1.00 1.26 O ATOM 298 CB TYR A 19 2.549 -10.434 1.544 1.00 0.53 C ATOM 299 CG TYR A 19 1.064 -10.321 1.840 1.00 0.52 C ATOM 300 CD1 TYR A 19 0.616 -9.412 2.818 1.00 1.69 C ATOM 301 CD2 TYR A 19 0.126 -11.124 1.157 1.00 1.81 C ATOM 302 CE1 TYR A 19 -0.755 -9.305 3.115 1.00 1.71 C ATOM 303 CE2 TYR A 19 -1.245 -11.035 1.468 1.00 1.89 C ATOM 304 CZ TYR A 19 -1.689 -10.136 2.458 1.00 0.75 C ATOM 305 OH TYR A 19 -3.008 -10.080 2.789 1.00 0.92 O ATOM 0 H TYR A 19 3.788 -10.174 3.990 1.00 0.62 H new ATOM 0 HA TYR A 19 2.780 -12.426 2.382 1.00 0.61 H new ATOM 0 HB2 TYR A 19 3.012 -9.456 1.680 1.00 0.53 H new ATOM 0 HB3 TYR A 19 2.681 -10.706 0.497 1.00 0.53 H new ATOM 0 HD1 TYR A 19 1.329 -8.794 3.343 1.00 1.69 H new ATOM 0 HD2 TYR A 19 0.461 -11.810 0.393 1.00 1.81 H new ATOM 0 HE1 TYR A 19 -1.094 -8.586 3.847 1.00 1.71 H new ATOM 0 HE2 TYR A 19 -1.957 -11.657 0.947 1.00 1.89 H new ATOM 0 HH TYR A 19 -3.154 -9.351 3.427 1.00 0.92 H new ATOM 315 N SER A 20 5.767 -11.063 2.350 1.00 0.67 N ATOM 316 CA SER A 20 7.152 -11.347 1.916 1.00 0.74 C ATOM 317 C SER A 20 7.830 -12.448 2.756 1.00 0.92 C ATOM 318 O SER A 20 8.482 -13.339 2.218 1.00 1.38 O ATOM 319 CB SER A 20 7.971 -10.045 1.942 1.00 0.74 C ATOM 320 OG SER A 20 8.088 -9.499 3.249 1.00 1.60 O ATOM 0 H SER A 20 5.696 -10.315 3.040 1.00 0.67 H new ATOM 0 HA SER A 20 7.110 -11.733 0.898 1.00 0.74 H new ATOM 0 HB2 SER A 20 8.967 -10.238 1.543 1.00 0.74 H new ATOM 0 HB3 SER A 20 7.501 -9.312 1.287 1.00 0.74 H new ATOM 0 HG SER A 20 7.894 -8.539 3.221 1.00 1.60 H new ATOM 326 N GLY A 21 7.577 -12.488 4.075 1.00 1.09 N ATOM 327 CA GLY A 21 8.212 -13.403 5.042 1.00 1.39 C ATOM 328 C GLY A 21 7.791 -14.875 4.942 1.00 1.52 C ATOM 329 O GLY A 21 8.086 -15.661 5.838 1.00 2.01 O ATOM 0 H GLY A 21 6.901 -11.863 4.514 1.00 1.09 H new ATOM 0 HA2 GLY A 21 9.293 -13.344 4.914 1.00 1.39 H new ATOM 0 HA3 GLY A 21 7.990 -13.049 6.049 1.00 1.39 H new ATOM 332 N ARG A 22 7.126 -15.237 3.844 1.00 1.44 N ATOM 333 CA ARG A 22 6.900 -16.606 3.371 1.00 1.71 C ATOM 334 C ARG A 22 8.133 -17.156 2.628 1.00 2.13 C ATOM 335 O ARG A 22 8.285 -18.369 2.530 1.00 2.59 O ATOM 336 CB ARG A 22 5.749 -16.566 2.351 1.00 1.69 C ATOM 337 CG ARG A 22 4.397 -16.080 2.903 1.00 2.04 C ATOM 338 CD ARG A 22 3.620 -15.330 1.816 1.00 1.88 C ATOM 339 NE ARG A 22 2.651 -16.150 1.066 1.00 1.90 N ATOM 340 CZ ARG A 22 2.214 -15.742 -0.125 1.00 2.16 C ATOM 341 NH1 ARG A 22 2.987 -15.161 -1.009 1.00 2.74 N ATOM 342 NH2 ARG A 22 0.945 -15.853 -0.443 1.00 3.03 N ATOM 0 H ARG A 22 6.706 -14.544 3.225 1.00 1.44 H new ATOM 0 HA ARG A 22 6.684 -17.238 4.233 1.00 1.71 H new ATOM 0 HB2 ARG A 22 6.040 -15.917 1.525 1.00 1.69 H new ATOM 0 HB3 ARG A 22 5.616 -17.566 1.939 1.00 1.69 H new ATOM 0 HG2 ARG A 22 3.813 -16.930 3.256 1.00 2.04 H new ATOM 0 HG3 ARG A 22 4.560 -15.427 3.760 1.00 2.04 H new ATOM 0 HD2 ARG A 22 3.089 -14.498 2.278 1.00 1.88 H new ATOM 0 HD3 ARG A 22 4.332 -14.901 1.112 1.00 1.88 H new ATOM 0 HE ARG A 22 2.315 -17.029 1.459 1.00 1.90 H new ATOM 0 HH11 ARG A 22 3.973 -15.003 -0.799 1.00 2.74 H new ATOM 0 HH12 ARG A 22 2.603 -14.867 -1.907 1.00 2.74 H new ATOM 0 HH21 ARG A 22 0.285 -16.254 0.224 1.00 3.03 H new ATOM 0 HH22 ARG A 22 0.619 -15.538 -1.357 1.00 3.03 H new ATOM 356 N GLU A 23 8.942 -16.279 2.029 1.00 2.17 N ATOM 357 CA GLU A 23 9.743 -16.568 0.832 1.00 2.39 C ATOM 358 C GLU A 23 11.181 -16.016 0.978 1.00 2.58 C ATOM 359 O GLU A 23 11.602 -15.623 2.065 1.00 3.52 O ATOM 360 CB GLU A 23 8.978 -15.998 -0.391 1.00 2.69 C ATOM 361 CG GLU A 23 7.793 -16.888 -0.807 1.00 3.17 C ATOM 362 CD GLU A 23 6.711 -16.101 -1.551 1.00 4.06 C ATOM 363 OE1 GLU A 23 6.882 -15.896 -2.771 1.00 4.75 O ATOM 364 OE2 GLU A 23 5.702 -15.741 -0.893 1.00 4.85 O ATOM 0 H GLU A 23 9.063 -15.325 2.369 1.00 2.17 H new ATOM 0 HA GLU A 23 9.870 -17.641 0.691 1.00 2.39 H new ATOM 0 HB2 GLU A 23 8.613 -14.998 -0.155 1.00 2.69 H new ATOM 0 HB3 GLU A 23 9.665 -15.896 -1.231 1.00 2.69 H new ATOM 0 HG2 GLU A 23 8.154 -17.696 -1.443 1.00 3.17 H new ATOM 0 HG3 GLU A 23 7.359 -17.350 0.080 1.00 3.17 H new ATOM 371 N GLY A 24 11.963 -16.007 -0.112 1.00 2.46 N ATOM 372 CA GLY A 24 13.419 -15.771 -0.082 1.00 2.81 C ATOM 373 C GLY A 24 13.868 -14.310 0.021 1.00 2.38 C ATOM 374 O GLY A 24 15.060 -14.034 -0.069 1.00 3.40 O ATOM 0 H GLY A 24 11.600 -16.165 -1.052 1.00 2.46 H new ATOM 0 HA2 GLY A 24 13.837 -16.318 0.763 1.00 2.81 H new ATOM 0 HA3 GLY A 24 13.854 -16.200 -0.985 1.00 2.81 H new ATOM 377 N SER A 25 12.941 -13.371 0.197 1.00 1.46 N ATOM 378 CA SER A 25 13.214 -11.943 0.387 1.00 1.24 C ATOM 379 C SER A 25 12.197 -11.357 1.362 1.00 1.11 C ATOM 380 O SER A 25 11.001 -11.603 1.218 1.00 1.44 O ATOM 381 CB SER A 25 13.085 -11.182 -0.940 1.00 1.47 C ATOM 382 OG SER A 25 13.173 -9.775 -0.739 1.00 2.78 O ATOM 0 H SER A 25 11.944 -13.588 0.212 1.00 1.46 H new ATOM 0 HA SER A 25 14.229 -11.841 0.772 1.00 1.24 H new ATOM 0 HB2 SER A 25 13.870 -11.504 -1.624 1.00 1.47 H new ATOM 0 HB3 SER A 25 12.132 -11.426 -1.411 1.00 1.47 H new ATOM 0 HG SER A 25 12.987 -9.312 -1.582 1.00 2.78 H new ATOM 388 N LYS A 26 12.641 -10.544 2.331 1.00 1.29 N ATOM 389 CA LYS A 26 11.709 -9.920 3.283 1.00 1.32 C ATOM 390 C LYS A 26 11.526 -8.403 3.041 1.00 1.30 C ATOM 391 O LYS A 26 10.652 -7.792 3.658 1.00 1.47 O ATOM 392 CB LYS A 26 12.088 -10.345 4.716 1.00 1.50 C ATOM 393 CG LYS A 26 12.163 -11.892 4.786 1.00 1.49 C ATOM 394 CD LYS A 26 11.956 -12.508 6.173 1.00 2.27 C ATOM 395 CE LYS A 26 12.827 -11.899 7.271 1.00 2.62 C ATOM 396 NZ LYS A 26 14.272 -12.181 7.082 1.00 2.65 N ATOM 0 H LYS A 26 13.622 -10.305 2.476 1.00 1.29 H new ATOM 0 HA LYS A 26 10.698 -10.293 3.116 1.00 1.32 H new ATOM 0 HB2 LYS A 26 13.047 -9.909 4.996 1.00 1.50 H new ATOM 0 HB3 LYS A 26 11.350 -9.972 5.426 1.00 1.50 H new ATOM 0 HG2 LYS A 26 11.413 -12.304 4.111 1.00 1.49 H new ATOM 0 HG3 LYS A 26 13.137 -12.207 4.411 1.00 1.49 H new ATOM 0 HD2 LYS A 26 10.909 -12.397 6.454 1.00 2.27 H new ATOM 0 HD3 LYS A 26 12.159 -13.577 6.116 1.00 2.27 H new ATOM 0 HE2 LYS A 26 12.672 -10.820 7.295 1.00 2.62 H new ATOM 0 HE3 LYS A 26 12.509 -12.288 8.238 1.00 2.62 H new ATOM 0 HZ1 LYS A 26 14.815 -11.745 7.854 1.00 2.65 H new ATOM 0 HZ2 LYS A 26 14.429 -13.209 7.086 1.00 2.65 H new ATOM 0 HZ3 LYS A 26 14.587 -11.787 6.172 1.00 2.65 H new ATOM 410 N LEU A 27 12.271 -7.820 2.081 1.00 1.24 N ATOM 411 CA LEU A 27 12.151 -6.422 1.616 1.00 1.29 C ATOM 412 C LEU A 27 11.452 -6.241 0.251 1.00 1.05 C ATOM 413 O LEU A 27 10.988 -5.127 -0.020 1.00 1.10 O ATOM 414 CB LEU A 27 13.549 -5.783 1.509 1.00 1.63 C ATOM 415 CG LEU A 27 14.338 -5.624 2.819 1.00 2.54 C ATOM 416 CD1 LEU A 27 15.641 -4.872 2.502 1.00 2.74 C ATOM 417 CD2 LEU A 27 13.546 -4.883 3.910 1.00 3.87 C ATOM 0 H LEU A 27 13.003 -8.331 1.587 1.00 1.24 H new ATOM 0 HA LEU A 27 11.524 -5.937 2.364 1.00 1.29 H new ATOM 0 HB2 LEU A 27 14.146 -6.384 0.823 1.00 1.63 H new ATOM 0 HB3 LEU A 27 13.439 -4.798 1.056 1.00 1.63 H new ATOM 0 HG LEU A 27 14.545 -6.617 3.219 1.00 2.54 H new ATOM 0 HD11 LEU A 27 16.220 -4.746 3.417 1.00 2.74 H new ATOM 0 HD12 LEU A 27 16.224 -5.443 1.779 1.00 2.74 H new ATOM 0 HD13 LEU A 27 15.404 -3.893 2.085 1.00 2.74 H new ATOM 0 HD21 LEU A 27 14.155 -4.802 4.810 1.00 3.87 H new ATOM 0 HD22 LEU A 27 13.286 -3.885 3.557 1.00 3.87 H new ATOM 0 HD23 LEU A 27 12.635 -5.436 4.137 1.00 3.87 H new ATOM 429 N THR A 28 11.370 -7.294 -0.578 1.00 0.97 N ATOM 430 CA THR A 28 10.697 -7.286 -1.888 1.00 0.85 C ATOM 431 C THR A 28 9.555 -8.301 -1.931 1.00 0.78 C ATOM 432 O THR A 28 9.348 -9.030 -0.964 1.00 0.93 O ATOM 433 CB THR A 28 11.671 -7.514 -3.065 1.00 0.86 C ATOM 434 OG1 THR A 28 12.251 -8.796 -2.999 1.00 0.93 O ATOM 435 CG2 THR A 28 12.802 -6.488 -3.102 1.00 0.92 C ATOM 0 H THR A 28 11.781 -8.199 -0.350 1.00 0.97 H new ATOM 0 HA THR A 28 10.280 -6.286 -2.010 1.00 0.85 H new ATOM 0 HB THR A 28 11.070 -7.409 -3.969 1.00 0.86 H new ATOM 0 HG1 THR A 28 12.646 -9.022 -3.867 1.00 0.93 H new ATOM 0 HG21 THR A 28 13.455 -6.697 -3.949 1.00 0.92 H new ATOM 0 HG22 THR A 28 12.382 -5.487 -3.206 1.00 0.92 H new ATOM 0 HG23 THR A 28 13.377 -6.546 -2.178 1.00 0.92 H new ATOM 443 N LEU A 29 8.838 -8.337 -3.062 1.00 0.78 N ATOM 444 CA LEU A 29 7.883 -9.360 -3.546 1.00 0.90 C ATOM 445 C LEU A 29 7.384 -8.983 -4.955 1.00 0.85 C ATOM 446 O LEU A 29 7.912 -8.053 -5.553 1.00 0.97 O ATOM 447 CB LEU A 29 6.754 -9.718 -2.541 1.00 1.04 C ATOM 448 CG LEU A 29 5.560 -8.748 -2.389 1.00 0.97 C ATOM 449 CD1 LEU A 29 4.639 -9.275 -1.277 1.00 1.36 C ATOM 450 CD2 LEU A 29 5.974 -7.315 -2.047 1.00 0.86 C ATOM 0 H LEU A 29 8.916 -7.574 -3.735 1.00 0.78 H new ATOM 0 HA LEU A 29 8.425 -10.302 -3.626 1.00 0.90 H new ATOM 0 HB2 LEU A 29 6.355 -10.691 -2.826 1.00 1.04 H new ATOM 0 HB3 LEU A 29 7.211 -9.836 -1.559 1.00 1.04 H new ATOM 0 HG LEU A 29 5.055 -8.709 -3.354 1.00 0.97 H new ATOM 0 HD11 LEU A 29 3.791 -8.601 -1.157 1.00 1.36 H new ATOM 0 HD12 LEU A 29 4.278 -10.268 -1.544 1.00 1.36 H new ATOM 0 HD13 LEU A 29 5.194 -9.330 -0.340 1.00 1.36 H new ATOM 0 HD21 LEU A 29 5.085 -6.691 -1.956 1.00 0.86 H new ATOM 0 HD22 LEU A 29 6.520 -7.309 -1.103 1.00 0.86 H new ATOM 0 HD23 LEU A 29 6.613 -6.922 -2.838 1.00 0.86 H new ATOM 462 N SER A 30 6.394 -9.677 -5.513 1.00 0.81 N ATOM 463 CA SER A 30 5.835 -9.349 -6.836 1.00 0.82 C ATOM 464 C SER A 30 4.809 -8.201 -6.799 1.00 0.84 C ATOM 465 O SER A 30 4.079 -8.044 -5.810 1.00 0.85 O ATOM 466 CB SER A 30 5.195 -10.592 -7.464 1.00 0.92 C ATOM 467 OG SER A 30 4.031 -11.001 -6.759 1.00 1.39 O ATOM 0 H SER A 30 5.953 -10.482 -5.067 1.00 0.81 H new ATOM 0 HA SER A 30 6.672 -9.007 -7.445 1.00 0.82 H new ATOM 0 HB2 SER A 30 4.936 -10.382 -8.502 1.00 0.92 H new ATOM 0 HB3 SER A 30 5.919 -11.407 -7.474 1.00 0.92 H new ATOM 0 HG SER A 30 3.650 -11.795 -7.189 1.00 1.39 H new ATOM 473 N ARG A 31 4.678 -7.441 -7.903 1.00 0.88 N ATOM 474 CA ARG A 31 3.618 -6.419 -8.030 1.00 0.87 C ATOM 475 C ARG A 31 2.232 -7.018 -7.706 1.00 0.82 C ATOM 476 O ARG A 31 1.423 -6.395 -7.015 1.00 0.86 O ATOM 477 CB ARG A 31 3.529 -5.766 -9.429 1.00 1.02 C ATOM 478 CG ARG A 31 4.661 -5.817 -10.467 1.00 1.42 C ATOM 479 CD ARG A 31 5.766 -4.798 -10.250 1.00 1.56 C ATOM 480 NE ARG A 31 5.312 -3.397 -10.381 1.00 1.94 N ATOM 481 CZ ARG A 31 6.073 -2.321 -10.187 1.00 2.33 C ATOM 482 NH1 ARG A 31 7.379 -2.390 -10.068 1.00 2.83 N ATOM 483 NH2 ARG A 31 5.535 -1.128 -10.066 1.00 2.91 N ATOM 0 H ARG A 31 5.289 -7.514 -8.717 1.00 0.88 H new ATOM 0 HA ARG A 31 3.898 -5.646 -7.314 1.00 0.87 H new ATOM 0 HB2 ARG A 31 2.651 -6.196 -9.912 1.00 1.02 H new ATOM 0 HB3 ARG A 31 3.315 -4.710 -9.261 1.00 1.02 H new ATOM 0 HG2 ARG A 31 5.099 -6.815 -10.459 1.00 1.42 H new ATOM 0 HG3 ARG A 31 4.234 -5.665 -11.458 1.00 1.42 H new ATOM 0 HD2 ARG A 31 6.192 -4.942 -9.257 1.00 1.56 H new ATOM 0 HD3 ARG A 31 6.564 -4.981 -10.969 1.00 1.56 H new ATOM 0 HE ARG A 31 4.338 -3.242 -10.641 1.00 1.94 H new ATOM 0 HH11 ARG A 31 7.849 -3.294 -10.123 1.00 2.83 H new ATOM 0 HH12 ARG A 31 7.923 -1.540 -9.920 1.00 2.83 H new ATOM 0 HH21 ARG A 31 4.522 -1.017 -10.120 1.00 2.91 H new ATOM 0 HH22 ARG A 31 6.130 -0.313 -9.918 1.00 2.91 H new ATOM 497 N LYS A 32 1.963 -8.240 -8.182 1.00 0.88 N ATOM 498 CA LYS A 32 0.720 -8.992 -7.976 1.00 0.89 C ATOM 499 C LYS A 32 0.287 -9.054 -6.497 1.00 0.86 C ATOM 500 O LYS A 32 -0.882 -8.811 -6.184 1.00 0.92 O ATOM 501 CB LYS A 32 0.908 -10.396 -8.554 1.00 0.99 C ATOM 502 CG LYS A 32 -0.475 -10.996 -8.843 1.00 1.36 C ATOM 503 CD LYS A 32 -0.351 -12.442 -9.316 1.00 2.27 C ATOM 504 CE LYS A 32 -0.758 -12.666 -10.778 1.00 3.16 C ATOM 505 NZ LYS A 32 0.304 -12.217 -11.704 1.00 4.19 N ATOM 0 H LYS A 32 2.638 -8.755 -8.748 1.00 0.88 H new ATOM 0 HA LYS A 32 -0.087 -8.471 -8.492 1.00 0.89 H new ATOM 0 HB2 LYS A 32 1.500 -10.353 -9.468 1.00 0.99 H new ATOM 0 HB3 LYS A 32 1.454 -11.025 -7.850 1.00 0.99 H new ATOM 0 HG2 LYS A 32 -1.089 -10.954 -7.944 1.00 1.36 H new ATOM 0 HG3 LYS A 32 -0.982 -10.402 -9.603 1.00 1.36 H new ATOM 0 HD2 LYS A 32 0.681 -12.768 -9.185 1.00 2.27 H new ATOM 0 HD3 LYS A 32 -0.968 -13.075 -8.678 1.00 2.27 H new ATOM 0 HE2 LYS A 32 -0.964 -13.724 -10.943 1.00 3.16 H new ATOM 0 HE3 LYS A 32 -1.680 -12.125 -10.988 1.00 3.16 H new ATOM 0 HZ1 LYS A 32 0.123 -12.603 -12.653 1.00 4.19 H new ATOM 0 HZ2 LYS A 32 0.309 -11.178 -11.748 1.00 4.19 H new ATOM 0 HZ3 LYS A 32 1.227 -12.554 -11.363 1.00 4.19 H new ATOM 519 N GLU A 33 1.238 -9.372 -5.611 1.00 0.82 N ATOM 520 CA GLU A 33 0.976 -9.675 -4.198 1.00 0.75 C ATOM 521 C GLU A 33 0.901 -8.414 -3.312 1.00 0.67 C ATOM 522 O GLU A 33 0.025 -8.337 -2.458 1.00 0.68 O ATOM 523 CB GLU A 33 2.019 -10.695 -3.698 1.00 0.77 C ATOM 524 CG GLU A 33 1.567 -11.531 -2.482 1.00 1.23 C ATOM 525 CD GLU A 33 0.609 -12.686 -2.829 1.00 1.73 C ATOM 526 OE1 GLU A 33 -0.288 -12.464 -3.665 1.00 2.70 O ATOM 527 OE2 GLU A 33 0.778 -13.799 -2.273 1.00 2.35 O ATOM 0 H GLU A 33 2.226 -9.427 -5.859 1.00 0.82 H new ATOM 0 HA GLU A 33 -0.016 -10.121 -4.120 1.00 0.75 H new ATOM 0 HB2 GLU A 33 2.267 -11.372 -4.516 1.00 0.77 H new ATOM 0 HB3 GLU A 33 2.933 -10.162 -3.437 1.00 0.77 H new ATOM 0 HG2 GLU A 33 2.449 -11.941 -1.990 1.00 1.23 H new ATOM 0 HG3 GLU A 33 1.078 -10.872 -1.764 1.00 1.23 H new ATOM 534 N LEU A 34 1.713 -7.371 -3.564 1.00 0.67 N ATOM 535 CA LEU A 34 1.516 -6.040 -2.945 1.00 0.71 C ATOM 536 C LEU A 34 0.099 -5.488 -3.165 1.00 0.75 C ATOM 537 O LEU A 34 -0.537 -4.957 -2.253 1.00 0.74 O ATOM 538 CB LEU A 34 2.565 -5.045 -3.478 1.00 0.83 C ATOM 539 CG LEU A 34 2.276 -3.561 -3.147 1.00 0.90 C ATOM 540 CD1 LEU A 34 2.248 -3.320 -1.638 1.00 1.12 C ATOM 541 CD2 LEU A 34 3.284 -2.582 -3.767 1.00 1.17 C ATOM 0 H LEU A 34 2.514 -7.421 -4.193 1.00 0.67 H new ATOM 0 HA LEU A 34 1.645 -6.166 -1.870 1.00 0.71 H new ATOM 0 HB2 LEU A 34 3.539 -5.311 -3.068 1.00 0.83 H new ATOM 0 HB3 LEU A 34 2.633 -5.155 -4.560 1.00 0.83 H new ATOM 0 HG LEU A 34 1.297 -3.367 -3.586 1.00 0.90 H new ATOM 0 HD11 LEU A 34 2.043 -2.268 -1.441 1.00 1.12 H new ATOM 0 HD12 LEU A 34 1.468 -3.933 -1.186 1.00 1.12 H new ATOM 0 HD13 LEU A 34 3.214 -3.588 -1.209 1.00 1.12 H new ATOM 0 HD21 LEU A 34 3.017 -1.562 -3.492 1.00 1.17 H new ATOM 0 HD22 LEU A 34 4.284 -2.807 -3.398 1.00 1.17 H new ATOM 0 HD23 LEU A 34 3.267 -2.681 -4.852 1.00 1.17 H new ATOM 553 N LYS A 35 -0.410 -5.599 -4.390 1.00 0.86 N ATOM 554 CA LYS A 35 -1.775 -5.192 -4.712 1.00 0.95 C ATOM 555 C LYS A 35 -2.799 -5.902 -3.803 1.00 0.93 C ATOM 556 O LYS A 35 -3.755 -5.284 -3.335 1.00 1.08 O ATOM 557 CB LYS A 35 -1.991 -5.553 -6.182 1.00 1.00 C ATOM 558 CG LYS A 35 -3.331 -5.061 -6.728 1.00 1.63 C ATOM 559 CD LYS A 35 -3.873 -6.014 -7.792 1.00 1.52 C ATOM 560 CE LYS A 35 -4.475 -7.257 -7.125 1.00 2.00 C ATOM 561 NZ LYS A 35 -3.631 -8.468 -7.261 1.00 3.19 N ATOM 0 H LYS A 35 0.110 -5.972 -5.184 1.00 0.86 H new ATOM 0 HA LYS A 35 -1.917 -4.124 -4.546 1.00 0.95 H new ATOM 0 HB2 LYS A 35 -1.184 -5.126 -6.777 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -1.934 -6.635 -6.297 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -4.050 -4.974 -5.913 1.00 1.63 H new ATOM 0 HG3 LYS A 35 -3.210 -4.065 -7.154 1.00 1.63 H new ATOM 0 HD2 LYS A 35 -4.631 -5.510 -8.392 1.00 1.52 H new ATOM 0 HD3 LYS A 35 -3.072 -6.307 -8.471 1.00 1.52 H new ATOM 0 HE2 LYS A 35 -4.633 -7.051 -6.066 1.00 2.00 H new ATOM 0 HE3 LYS A 35 -5.454 -7.455 -7.561 1.00 2.00 H new ATOM 0 HZ1 LYS A 35 -4.126 -9.284 -6.848 1.00 3.19 H new ATOM 0 HZ2 LYS A 35 -3.444 -8.649 -8.268 1.00 3.19 H new ATOM 0 HZ3 LYS A 35 -2.730 -8.321 -6.762 1.00 3.19 H new ATOM 575 N GLU A 36 -2.573 -7.191 -3.564 1.00 0.82 N ATOM 576 CA GLU A 36 -3.418 -8.069 -2.765 1.00 0.79 C ATOM 577 C GLU A 36 -3.342 -7.711 -1.274 1.00 0.70 C ATOM 578 O GLU A 36 -4.380 -7.529 -0.629 1.00 0.79 O ATOM 579 CB GLU A 36 -2.972 -9.518 -3.051 1.00 0.90 C ATOM 580 CG GLU A 36 -4.130 -10.513 -3.033 1.00 1.28 C ATOM 581 CD GLU A 36 -5.201 -10.160 -4.073 1.00 2.02 C ATOM 582 OE1 GLU A 36 -4.837 -9.748 -5.201 1.00 3.24 O ATOM 583 OE2 GLU A 36 -6.396 -10.253 -3.701 1.00 2.21 O ATOM 0 H GLU A 36 -1.757 -7.673 -3.941 1.00 0.82 H new ATOM 0 HA GLU A 36 -4.467 -7.951 -3.036 1.00 0.79 H new ATOM 0 HB2 GLU A 36 -2.482 -9.556 -4.024 1.00 0.90 H new ATOM 0 HB3 GLU A 36 -2.231 -9.817 -2.310 1.00 0.90 H new ATOM 0 HG2 GLU A 36 -3.750 -11.516 -3.228 1.00 1.28 H new ATOM 0 HG3 GLU A 36 -4.579 -10.530 -2.040 1.00 1.28 H new ATOM 590 N LEU A 37 -2.120 -7.498 -0.767 1.00 0.64 N ATOM 591 CA LEU A 37 -1.805 -6.944 0.549 1.00 0.68 C ATOM 592 C LEU A 37 -2.637 -5.690 0.816 1.00 0.73 C ATOM 593 O LEU A 37 -3.367 -5.645 1.801 1.00 0.76 O ATOM 594 CB LEU A 37 -0.271 -6.724 0.614 1.00 0.70 C ATOM 595 CG LEU A 37 0.336 -5.606 1.500 1.00 0.88 C ATOM 596 CD1 LEU A 37 -0.085 -5.616 2.973 1.00 1.08 C ATOM 597 CD2 LEU A 37 1.868 -5.707 1.443 1.00 1.46 C ATOM 0 H LEU A 37 -1.279 -7.722 -1.298 1.00 0.64 H new ATOM 0 HA LEU A 37 -2.074 -7.630 1.352 1.00 0.68 H new ATOM 0 HB2 LEU A 37 0.174 -7.665 0.938 1.00 0.70 H new ATOM 0 HB3 LEU A 37 0.070 -6.544 -0.406 1.00 0.70 H new ATOM 0 HG LEU A 37 -0.052 -4.675 1.086 1.00 0.88 H new ATOM 0 HD11 LEU A 37 0.400 -4.791 3.496 1.00 1.08 H new ATOM 0 HD12 LEU A 37 -1.167 -5.504 3.043 1.00 1.08 H new ATOM 0 HD13 LEU A 37 0.212 -6.560 3.430 1.00 1.08 H new ATOM 0 HD21 LEU A 37 2.307 -4.925 2.063 1.00 1.46 H new ATOM 0 HD22 LEU A 37 2.182 -6.683 1.813 1.00 1.46 H new ATOM 0 HD23 LEU A 37 2.203 -5.584 0.413 1.00 1.46 H new ATOM 609 N ILE A 38 -2.592 -4.701 -0.080 1.00 0.78 N ATOM 610 CA ILE A 38 -3.322 -3.433 0.087 1.00 0.86 C ATOM 611 C ILE A 38 -4.831 -3.668 0.229 1.00 0.93 C ATOM 612 O ILE A 38 -5.412 -3.207 1.205 1.00 1.28 O ATOM 613 CB ILE A 38 -2.941 -2.431 -1.034 1.00 0.85 C ATOM 614 CG1 ILE A 38 -1.475 -1.974 -0.827 1.00 0.94 C ATOM 615 CG2 ILE A 38 -3.887 -1.211 -1.047 1.00 0.89 C ATOM 616 CD1 ILE A 38 -0.903 -1.133 -1.978 1.00 1.06 C ATOM 0 H ILE A 38 -2.050 -4.752 -0.943 1.00 0.78 H new ATOM 0 HA ILE A 38 -3.016 -2.969 1.025 1.00 0.86 H new ATOM 0 HB ILE A 38 -3.041 -2.930 -1.998 1.00 0.85 H new ATOM 0 HG12 ILE A 38 -1.415 -1.395 0.095 1.00 0.94 H new ATOM 0 HG13 ILE A 38 -0.848 -2.855 -0.691 1.00 0.94 H new ATOM 0 HG21 ILE A 38 -3.591 -0.530 -1.845 1.00 0.89 H new ATOM 0 HG22 ILE A 38 -4.910 -1.546 -1.217 1.00 0.89 H new ATOM 0 HG23 ILE A 38 -3.828 -0.695 -0.089 1.00 0.89 H new ATOM 0 HD11 ILE A 38 0.126 -0.857 -1.750 1.00 1.06 H new ATOM 0 HD12 ILE A 38 -0.927 -1.714 -2.900 1.00 1.06 H new ATOM 0 HD13 ILE A 38 -1.502 -0.231 -2.102 1.00 1.06 H new ATOM 628 N LYS A 39 -5.484 -4.410 -0.670 1.00 0.94 N ATOM 629 CA LYS A 39 -6.934 -4.637 -0.562 1.00 1.08 C ATOM 630 C LYS A 39 -7.368 -5.573 0.580 1.00 1.11 C ATOM 631 O LYS A 39 -8.549 -5.559 0.937 1.00 1.42 O ATOM 632 CB LYS A 39 -7.494 -5.114 -1.915 1.00 1.13 C ATOM 633 CG LYS A 39 -8.245 -4.013 -2.684 1.00 1.32 C ATOM 634 CD LYS A 39 -9.486 -3.411 -1.996 1.00 1.90 C ATOM 635 CE LYS A 39 -10.497 -4.453 -1.495 1.00 2.53 C ATOM 636 NZ LYS A 39 -11.786 -3.838 -1.081 1.00 3.38 N ATOM 0 H LYS A 39 -5.042 -4.860 -1.472 1.00 0.94 H new ATOM 0 HA LYS A 39 -7.364 -3.671 -0.296 1.00 1.08 H new ATOM 0 HB2 LYS A 39 -6.673 -5.483 -2.531 1.00 1.13 H new ATOM 0 HB3 LYS A 39 -8.168 -5.954 -1.746 1.00 1.13 H new ATOM 0 HG2 LYS A 39 -7.544 -3.204 -2.890 1.00 1.32 H new ATOM 0 HG3 LYS A 39 -8.554 -4.421 -3.647 1.00 1.32 H new ATOM 0 HD2 LYS A 39 -9.160 -2.803 -1.152 1.00 1.90 H new ATOM 0 HD3 LYS A 39 -9.987 -2.743 -2.696 1.00 1.90 H new ATOM 0 HE2 LYS A 39 -10.682 -5.183 -2.282 1.00 2.53 H new ATOM 0 HE3 LYS A 39 -10.069 -4.995 -0.652 1.00 2.53 H new ATOM 0 HZ1 LYS A 39 -12.435 -4.581 -0.751 1.00 3.38 H new ATOM 0 HZ2 LYS A 39 -11.616 -3.160 -0.311 1.00 3.38 H new ATOM 0 HZ3 LYS A 39 -12.210 -3.343 -1.891 1.00 3.38 H new ATOM 650 N LYS A 40 -6.474 -6.402 1.132 1.00 0.91 N ATOM 651 CA LYS A 40 -6.734 -7.186 2.347 1.00 1.02 C ATOM 652 C LYS A 40 -6.517 -6.367 3.626 1.00 1.14 C ATOM 653 O LYS A 40 -7.430 -6.288 4.444 1.00 1.44 O ATOM 654 CB LYS A 40 -5.853 -8.453 2.353 1.00 0.96 C ATOM 655 CG LYS A 40 -6.517 -9.702 1.764 1.00 1.26 C ATOM 656 CD LYS A 40 -6.791 -9.638 0.259 1.00 1.62 C ATOM 657 CE LYS A 40 -7.331 -11.007 -0.153 1.00 1.78 C ATOM 658 NZ LYS A 40 -7.742 -11.040 -1.578 1.00 2.49 N ATOM 0 H LYS A 40 -5.542 -6.549 0.745 1.00 0.91 H new ATOM 0 HA LYS A 40 -7.784 -7.477 2.335 1.00 1.02 H new ATOM 0 HB2 LYS A 40 -4.940 -8.246 1.794 1.00 0.96 H new ATOM 0 HB3 LYS A 40 -5.556 -8.667 3.380 1.00 0.96 H new ATOM 0 HG2 LYS A 40 -5.881 -10.564 1.966 1.00 1.26 H new ATOM 0 HG3 LYS A 40 -7.460 -9.873 2.283 1.00 1.26 H new ATOM 0 HD2 LYS A 40 -7.513 -8.854 0.031 1.00 1.62 H new ATOM 0 HD3 LYS A 40 -5.879 -9.401 -0.290 1.00 1.62 H new ATOM 0 HE2 LYS A 40 -6.567 -11.765 0.021 1.00 1.78 H new ATOM 0 HE3 LYS A 40 -8.184 -11.264 0.476 1.00 1.78 H new ATOM 0 HZ1 LYS A 40 -8.086 -11.992 -1.818 1.00 2.49 H new ATOM 0 HZ2 LYS A 40 -8.501 -10.347 -1.736 1.00 2.49 H new ATOM 0 HZ3 LYS A 40 -6.927 -10.804 -2.180 1.00 2.49 H new ATOM 672 N GLU A 41 -5.336 -5.774 3.814 1.00 1.02 N ATOM 673 CA GLU A 41 -4.974 -5.104 5.073 1.00 1.11 C ATOM 674 C GLU A 41 -5.507 -3.660 5.155 1.00 1.21 C ATOM 675 O GLU A 41 -5.516 -3.088 6.254 1.00 1.57 O ATOM 676 CB GLU A 41 -3.453 -5.126 5.302 1.00 1.28 C ATOM 677 CG GLU A 41 -2.705 -6.442 5.027 1.00 1.79 C ATOM 678 CD GLU A 41 -3.242 -7.702 5.695 1.00 3.17 C ATOM 679 OE1 GLU A 41 -3.295 -7.770 6.941 1.00 3.87 O ATOM 680 OE2 GLU A 41 -3.454 -8.710 4.980 1.00 4.43 O ATOM 0 H GLU A 41 -4.604 -5.742 3.104 1.00 1.02 H new ATOM 0 HA GLU A 41 -5.457 -5.672 5.868 1.00 1.11 H new ATOM 0 HB2 GLU A 41 -3.009 -4.351 4.677 1.00 1.28 H new ATOM 0 HB3 GLU A 41 -3.266 -4.845 6.338 1.00 1.28 H new ATOM 0 HG2 GLU A 41 -2.698 -6.608 3.950 1.00 1.79 H new ATOM 0 HG3 GLU A 41 -1.668 -6.312 5.336 1.00 1.79 H new ATOM 687 N LEU A 42 -5.971 -3.071 4.041 1.00 1.10 N ATOM 688 CA LEU A 42 -6.584 -1.738 3.986 1.00 1.23 C ATOM 689 C LEU A 42 -7.924 -1.739 3.228 1.00 1.44 C ATOM 690 O LEU A 42 -7.987 -1.711 1.997 1.00 2.17 O ATOM 691 CB LEU A 42 -5.572 -0.709 3.431 1.00 1.36 C ATOM 692 CG LEU A 42 -5.188 0.315 4.513 1.00 1.57 C ATOM 693 CD1 LEU A 42 -4.034 1.192 4.019 1.00 2.28 C ATOM 694 CD2 LEU A 42 -6.356 1.218 4.932 1.00 1.96 C ATOM 0 H LEU A 42 -5.928 -3.524 3.128 1.00 1.10 H new ATOM 0 HA LEU A 42 -6.836 -1.434 5.002 1.00 1.23 H new ATOM 0 HB2 LEU A 42 -4.679 -1.224 3.078 1.00 1.36 H new ATOM 0 HB3 LEU A 42 -6.003 -0.194 2.573 1.00 1.36 H new ATOM 0 HG LEU A 42 -4.889 -0.261 5.389 1.00 1.57 H new ATOM 0 HD11 LEU A 42 -3.769 1.914 4.792 1.00 2.28 H new ATOM 0 HD12 LEU A 42 -3.170 0.565 3.796 1.00 2.28 H new ATOM 0 HD13 LEU A 42 -4.340 1.722 3.117 1.00 2.28 H new ATOM 0 HD21 LEU A 42 -6.019 1.917 5.697 1.00 1.96 H new ATOM 0 HD22 LEU A 42 -6.715 1.774 4.066 1.00 1.96 H new ATOM 0 HD23 LEU A 42 -7.165 0.605 5.331 1.00 1.96 H new ATOM 706 N CYS A 43 -9.024 -1.692 3.986 1.00 1.36 N ATOM 707 CA CYS A 43 -10.345 -1.436 3.396 1.00 1.70 C ATOM 708 C CYS A 43 -10.429 0.015 2.910 1.00 2.28 C ATOM 709 O CYS A 43 -10.398 0.942 3.729 1.00 3.62 O ATOM 710 CB CYS A 43 -11.478 -1.810 4.362 1.00 2.08 C ATOM 711 SG CYS A 43 -12.231 -3.357 3.779 1.00 2.43 S ATOM 0 H CYS A 43 -9.029 -1.826 4.997 1.00 1.36 H new ATOM 0 HA CYS A 43 -10.474 -2.080 2.526 1.00 1.70 H new ATOM 0 HB2 CYS A 43 -11.091 -1.933 5.373 1.00 2.08 H new ATOM 0 HB3 CYS A 43 -12.223 -1.015 4.401 1.00 2.08 H new ATOM 0 HG CYS A 43 -13.195 -3.700 4.581 1.00 2.43 H new ATOM 774 N LYS A 48 -14.212 3.521 -1.868 1.00 2.28 N ATOM 775 CA LYS A 48 -13.734 4.289 -2.981 1.00 2.13 C ATOM 776 C LYS A 48 -13.411 3.414 -4.214 1.00 2.39 C ATOM 777 O LYS A 48 -13.332 2.189 -4.143 1.00 3.14 O ATOM 778 CB LYS A 48 -12.485 4.969 -2.413 1.00 2.22 C ATOM 779 CG LYS A 48 -12.218 6.273 -3.070 1.00 2.39 C ATOM 780 CD LYS A 48 -13.141 7.368 -2.524 1.00 3.19 C ATOM 781 CE LYS A 48 -12.275 8.605 -2.482 1.00 4.09 C ATOM 782 NZ LYS A 48 -12.214 9.330 -3.770 1.00 5.08 N ATOM 0 HA LYS A 48 -14.476 4.994 -3.356 1.00 2.13 H new ATOM 0 HB2 LYS A 48 -12.610 5.121 -1.341 1.00 2.22 H new ATOM 0 HB3 LYS A 48 -11.624 4.314 -2.543 1.00 2.22 H new ATOM 0 HG2 LYS A 48 -11.178 6.557 -2.910 1.00 2.39 H new ATOM 0 HG3 LYS A 48 -12.361 6.177 -4.146 1.00 2.39 H new ATOM 0 HD2 LYS A 48 -14.009 7.513 -3.167 1.00 3.19 H new ATOM 0 HD3 LYS A 48 -13.517 7.113 -1.533 1.00 3.19 H new ATOM 0 HE2 LYS A 48 -12.655 9.278 -1.713 1.00 4.09 H new ATOM 0 HE3 LYS A 48 -11.265 8.321 -2.186 1.00 4.09 H new ATOM 0 HZ1 LYS A 48 -11.339 9.891 -3.812 1.00 5.08 H new ATOM 0 HZ2 LYS A 48 -12.225 8.647 -4.554 1.00 5.08 H new ATOM 0 HZ3 LYS A 48 -13.035 9.963 -3.851 1.00 5.08 H new ATOM 796 N GLU A 49 -13.209 4.074 -5.348 1.00 2.31 N ATOM 797 CA GLU A 49 -13.315 3.526 -6.698 1.00 2.66 C ATOM 798 C GLU A 49 -12.385 4.274 -7.675 1.00 2.07 C ATOM 799 O GLU A 49 -11.375 3.739 -8.121 1.00 2.60 O ATOM 800 CB GLU A 49 -14.796 3.547 -7.163 1.00 3.53 C ATOM 801 CG GLU A 49 -15.764 4.554 -6.489 1.00 4.04 C ATOM 802 CD GLU A 49 -15.226 5.985 -6.454 1.00 4.54 C ATOM 803 OE1 GLU A 49 -15.186 6.626 -7.521 1.00 4.78 O ATOM 804 OE2 GLU A 49 -14.629 6.379 -5.430 1.00 5.39 O ATOM 0 H GLU A 49 -12.952 5.061 -5.352 1.00 2.31 H new ATOM 0 HA GLU A 49 -12.984 2.488 -6.687 1.00 2.66 H new ATOM 0 HB2 GLU A 49 -14.805 3.744 -8.235 1.00 3.53 H new ATOM 0 HB3 GLU A 49 -15.204 2.546 -7.019 1.00 3.53 H new ATOM 0 HG2 GLU A 49 -16.715 4.544 -7.022 1.00 4.04 H new ATOM 0 HG3 GLU A 49 -15.966 4.225 -5.470 1.00 4.04 H new ATOM 811 N SER A 50 -12.688 5.523 -8.023 1.00 2.06 N ATOM 812 CA SER A 50 -11.998 6.286 -9.061 1.00 2.26 C ATOM 813 C SER A 50 -10.507 6.483 -8.751 1.00 2.00 C ATOM 814 O SER A 50 -10.142 7.007 -7.696 1.00 2.96 O ATOM 815 CB SER A 50 -12.673 7.654 -9.236 1.00 3.10 C ATOM 816 OG SER A 50 -14.025 7.523 -9.629 1.00 3.81 O ATOM 0 H SER A 50 -13.442 6.047 -7.578 1.00 2.06 H new ATOM 0 HA SER A 50 -12.067 5.711 -9.984 1.00 2.26 H new ATOM 0 HB2 SER A 50 -12.618 8.209 -8.300 1.00 3.10 H new ATOM 0 HB3 SER A 50 -12.131 8.234 -9.983 1.00 3.10 H new ATOM 0 HG SER A 50 -14.601 7.559 -8.837 1.00 3.81 H new ATOM 822 N SER A 51 -9.633 6.080 -9.676 1.00 1.68 N ATOM 823 CA SER A 51 -8.152 6.082 -9.583 1.00 1.72 C ATOM 824 C SER A 51 -7.635 4.859 -8.818 1.00 1.55 C ATOM 825 O SER A 51 -6.682 4.233 -9.271 1.00 1.95 O ATOM 826 CB SER A 51 -7.539 7.339 -8.928 1.00 2.21 C ATOM 827 OG SER A 51 -8.299 8.502 -9.181 1.00 2.69 O ATOM 0 H SER A 51 -9.952 5.717 -10.574 1.00 1.68 H new ATOM 0 HA SER A 51 -7.833 6.064 -10.625 1.00 1.72 H new ATOM 0 HB2 SER A 51 -7.463 7.184 -7.852 1.00 2.21 H new ATOM 0 HB3 SER A 51 -6.525 7.482 -9.301 1.00 2.21 H new ATOM 0 HG SER A 51 -7.875 9.271 -8.746 1.00 2.69 H new ATOM 833 N ILE A 52 -8.268 4.493 -7.692 1.00 1.36 N ATOM 834 CA ILE A 52 -7.880 3.310 -6.892 1.00 1.38 C ATOM 835 C ILE A 52 -7.923 2.046 -7.753 1.00 1.28 C ATOM 836 O ILE A 52 -7.048 1.185 -7.633 1.00 1.32 O ATOM 837 CB ILE A 52 -8.682 3.192 -5.556 1.00 1.66 C ATOM 838 CG1 ILE A 52 -9.870 2.196 -5.504 1.00 2.06 C ATOM 839 CG2 ILE A 52 -9.189 4.567 -5.062 1.00 2.10 C ATOM 840 CD1 ILE A 52 -9.476 0.739 -5.214 1.00 1.98 C ATOM 0 H ILE A 52 -9.062 5.005 -7.307 1.00 1.36 H new ATOM 0 HA ILE A 52 -6.846 3.442 -6.572 1.00 1.38 H new ATOM 0 HB ILE A 52 -7.922 2.770 -4.899 1.00 1.66 H new ATOM 0 HG12 ILE A 52 -10.571 2.528 -4.738 1.00 2.06 H new ATOM 0 HG13 ILE A 52 -10.398 2.232 -6.457 1.00 2.06 H new ATOM 0 HG21 ILE A 52 -9.741 4.438 -4.131 1.00 2.10 H new ATOM 0 HG22 ILE A 52 -8.339 5.228 -4.892 1.00 2.10 H new ATOM 0 HG23 ILE A 52 -9.844 5.005 -5.815 1.00 2.10 H new ATOM 0 HD11 ILE A 52 -10.371 0.117 -5.197 1.00 1.98 H new ATOM 0 HD12 ILE A 52 -8.801 0.383 -5.992 1.00 1.98 H new ATOM 0 HD13 ILE A 52 -8.976 0.683 -4.247 1.00 1.98 H new ATOM 852 N ASP A 53 -8.904 1.996 -8.654 1.00 1.29 N ATOM 853 CA ASP A 53 -9.145 0.936 -9.621 1.00 1.43 C ATOM 854 C ASP A 53 -8.049 0.797 -10.696 1.00 1.34 C ATOM 855 O ASP A 53 -7.781 -0.326 -11.128 1.00 1.56 O ATOM 856 CB ASP A 53 -10.515 1.206 -10.263 1.00 1.73 C ATOM 857 CG ASP A 53 -10.948 0.022 -11.116 1.00 2.44 C ATOM 858 OD1 ASP A 53 -11.152 -1.072 -10.543 1.00 2.90 O ATOM 859 OD2 ASP A 53 -10.925 0.124 -12.363 1.00 3.29 O ATOM 0 H ASP A 53 -9.593 2.744 -8.729 1.00 1.29 H new ATOM 0 HA ASP A 53 -9.128 -0.018 -9.093 1.00 1.43 H new ATOM 0 HB2 ASP A 53 -11.257 1.392 -9.486 1.00 1.73 H new ATOM 0 HB3 ASP A 53 -10.464 2.105 -10.877 1.00 1.73 H new ATOM 864 N ASP A 54 -7.381 1.887 -11.113 1.00 1.24 N ATOM 865 CA ASP A 54 -6.206 1.764 -11.986 1.00 1.42 C ATOM 866 C ASP A 54 -4.959 1.436 -11.174 1.00 1.39 C ATOM 867 O ASP A 54 -4.204 0.571 -11.594 1.00 1.64 O ATOM 868 CB ASP A 54 -5.923 2.992 -12.866 1.00 1.66 C ATOM 869 CG ASP A 54 -4.653 2.725 -13.705 1.00 2.09 C ATOM 870 OD1 ASP A 54 -4.735 2.010 -14.735 1.00 2.92 O ATOM 871 OD2 ASP A 54 -3.546 3.109 -13.258 1.00 2.56 O ATOM 0 H ASP A 54 -7.630 2.844 -10.864 1.00 1.24 H new ATOM 0 HA ASP A 54 -6.454 0.948 -12.664 1.00 1.42 H new ATOM 0 HB2 ASP A 54 -6.772 3.191 -13.520 1.00 1.66 H new ATOM 0 HB3 ASP A 54 -5.785 3.877 -12.245 1.00 1.66 H new ATOM 876 N LEU A 55 -4.731 2.069 -10.017 1.00 1.17 N ATOM 877 CA LEU A 55 -3.517 1.832 -9.223 1.00 1.10 C ATOM 878 C LEU A 55 -3.368 0.351 -8.852 1.00 1.17 C ATOM 879 O LEU A 55 -2.284 -0.220 -8.988 1.00 1.28 O ATOM 880 CB LEU A 55 -3.518 2.733 -7.979 1.00 1.02 C ATOM 881 CG LEU A 55 -3.485 4.239 -8.295 1.00 1.01 C ATOM 882 CD1 LEU A 55 -3.663 5.038 -6.997 1.00 1.24 C ATOM 883 CD2 LEU A 55 -2.187 4.642 -9.010 1.00 1.08 C ATOM 0 H LEU A 55 -5.371 2.750 -9.609 1.00 1.17 H new ATOM 0 HA LEU A 55 -2.650 2.091 -9.831 1.00 1.10 H new ATOM 0 HB2 LEU A 55 -4.407 2.516 -7.387 1.00 1.02 H new ATOM 0 HB3 LEU A 55 -2.655 2.483 -7.362 1.00 1.02 H new ATOM 0 HG LEU A 55 -4.306 4.466 -8.975 1.00 1.01 H new ATOM 0 HD11 LEU A 55 -3.640 6.105 -7.220 1.00 1.24 H new ATOM 0 HD12 LEU A 55 -4.620 4.783 -6.541 1.00 1.24 H new ATOM 0 HD13 LEU A 55 -2.856 4.794 -6.306 1.00 1.24 H new ATOM 0 HD21 LEU A 55 -2.202 5.712 -9.216 1.00 1.08 H new ATOM 0 HD22 LEU A 55 -1.333 4.407 -8.374 1.00 1.08 H new ATOM 0 HD23 LEU A 55 -2.103 4.093 -9.948 1.00 1.08 H new ATOM 895 N MET A 56 -4.492 -0.289 -8.511 1.00 1.18 N ATOM 896 CA MET A 56 -4.618 -1.750 -8.384 1.00 1.30 C ATOM 897 C MET A 56 -4.079 -2.469 -9.629 1.00 1.36 C ATOM 898 O MET A 56 -3.120 -3.242 -9.578 1.00 1.47 O ATOM 899 CB MET A 56 -6.107 -2.099 -8.193 1.00 1.24 C ATOM 900 CG MET A 56 -6.636 -1.838 -6.783 1.00 1.44 C ATOM 901 SD MET A 56 -6.363 -3.216 -5.644 1.00 1.94 S ATOM 902 CE MET A 56 -4.926 -2.582 -4.758 1.00 1.44 C ATOM 0 H MET A 56 -5.362 0.204 -8.310 1.00 1.18 H new ATOM 0 HA MET A 56 -4.031 -2.080 -7.527 1.00 1.30 H new ATOM 0 HB2 MET A 56 -6.698 -1.521 -8.903 1.00 1.24 H new ATOM 0 HB3 MET A 56 -6.256 -3.151 -8.436 1.00 1.24 H new ATOM 0 HG2 MET A 56 -6.155 -0.945 -6.383 1.00 1.44 H new ATOM 0 HG3 MET A 56 -7.704 -1.628 -6.837 1.00 1.44 H new ATOM 0 HE1 MET A 56 -4.827 -3.103 -3.806 1.00 1.44 H new ATOM 0 HE2 MET A 56 -4.029 -2.745 -5.356 1.00 1.44 H new ATOM 0 HE3 MET A 56 -5.052 -1.515 -4.576 1.00 1.44 H new ATOM 912 N LYS A 57 -4.693 -2.184 -10.773 1.00 1.44 N ATOM 913 CA LYS A 57 -4.355 -2.769 -12.067 1.00 1.61 C ATOM 914 C LYS A 57 -2.953 -2.375 -12.545 1.00 1.55 C ATOM 915 O LYS A 57 -2.428 -3.040 -13.419 1.00 1.61 O ATOM 916 CB LYS A 57 -5.419 -2.328 -13.089 1.00 1.77 C ATOM 917 CG LYS A 57 -6.669 -3.217 -13.170 1.00 2.64 C ATOM 918 CD LYS A 57 -7.385 -3.501 -11.835 1.00 4.15 C ATOM 919 CE LYS A 57 -8.912 -3.587 -11.978 1.00 4.90 C ATOM 920 NZ LYS A 57 -9.491 -2.263 -12.292 1.00 5.10 N ATOM 0 H LYS A 57 -5.464 -1.518 -10.827 1.00 1.44 H new ATOM 0 HA LYS A 57 -4.346 -3.854 -11.965 1.00 1.61 H new ATOM 0 HB2 LYS A 57 -5.732 -1.313 -12.846 1.00 1.77 H new ATOM 0 HB3 LYS A 57 -4.957 -2.291 -14.075 1.00 1.77 H new ATOM 0 HG2 LYS A 57 -7.381 -2.747 -13.848 1.00 2.64 H new ATOM 0 HG3 LYS A 57 -6.384 -4.170 -13.616 1.00 2.64 H new ATOM 0 HD2 LYS A 57 -7.011 -4.437 -11.421 1.00 4.15 H new ATOM 0 HD3 LYS A 57 -7.136 -2.715 -11.122 1.00 4.15 H new ATOM 0 HE2 LYS A 57 -9.168 -4.296 -12.766 1.00 4.90 H new ATOM 0 HE3 LYS A 57 -9.346 -3.968 -11.054 1.00 4.90 H new ATOM 0 HZ1 LYS A 57 -10.378 -2.138 -11.764 1.00 5.10 H new ATOM 0 HZ2 LYS A 57 -8.819 -1.517 -12.022 1.00 5.10 H new ATOM 0 HZ3 LYS A 57 -9.684 -2.202 -13.312 1.00 5.10 H new ATOM 934 N SER A 58 -2.353 -1.311 -12.020 1.00 1.47 N ATOM 935 CA SER A 58 -1.057 -0.742 -12.420 1.00 1.37 C ATOM 936 C SER A 58 0.154 -1.451 -11.808 1.00 1.23 C ATOM 937 O SER A 58 1.234 -1.408 -12.395 1.00 1.34 O ATOM 938 CB SER A 58 -1.042 0.777 -12.224 1.00 1.40 C ATOM 939 OG SER A 58 -1.674 1.332 -13.368 1.00 2.41 O ATOM 0 H SER A 58 -2.780 -0.786 -11.257 1.00 1.47 H new ATOM 0 HA SER A 58 -0.950 -0.931 -13.488 1.00 1.37 H new ATOM 0 HB2 SER A 58 -1.571 1.057 -11.313 1.00 1.40 H new ATOM 0 HB3 SER A 58 -0.021 1.146 -12.126 1.00 1.40 H new ATOM 0 HG SER A 58 -2.294 2.038 -13.089 1.00 2.41 H new ATOM 945 N LEU A 59 -0.028 -2.194 -10.710 1.00 1.16 N ATOM 946 CA LEU A 59 0.921 -3.236 -10.302 1.00 1.13 C ATOM 947 C LEU A 59 0.735 -4.489 -11.162 1.00 1.16 C ATOM 948 O LEU A 59 1.681 -4.982 -11.776 1.00 1.15 O ATOM 949 CB LEU A 59 0.689 -3.532 -8.812 1.00 1.23 C ATOM 950 CG LEU A 59 1.086 -2.394 -7.851 1.00 1.32 C ATOM 951 CD1 LEU A 59 1.035 -2.963 -6.433 1.00 1.61 C ATOM 952 CD2 LEU A 59 2.484 -1.812 -8.111 1.00 1.35 C ATOM 0 H LEU A 59 -0.828 -2.092 -10.086 1.00 1.16 H new ATOM 0 HA LEU A 59 1.948 -2.900 -10.447 1.00 1.13 H new ATOM 0 HB2 LEU A 59 -0.366 -3.761 -8.663 1.00 1.23 H new ATOM 0 HB3 LEU A 59 1.251 -4.427 -8.543 1.00 1.23 H new ATOM 0 HG LEU A 59 0.389 -1.570 -8.003 1.00 1.32 H new ATOM 0 HD11 LEU A 59 1.310 -2.187 -5.719 1.00 1.61 H new ATOM 0 HD12 LEU A 59 0.025 -3.313 -6.217 1.00 1.61 H new ATOM 0 HD13 LEU A 59 1.733 -3.796 -6.350 1.00 1.61 H new ATOM 0 HD21 LEU A 59 2.687 -1.017 -7.393 1.00 1.35 H new ATOM 0 HD22 LEU A 59 3.231 -2.598 -8.003 1.00 1.35 H new ATOM 0 HD23 LEU A 59 2.527 -1.407 -9.122 1.00 1.35 H new ATOM 964 N ASP A 60 -0.504 -4.965 -11.267 1.00 1.34 N ATOM 965 CA ASP A 60 -0.893 -6.135 -12.065 1.00 1.46 C ATOM 966 C ASP A 60 -0.731 -5.936 -13.600 1.00 1.39 C ATOM 967 O ASP A 60 -0.905 -6.874 -14.370 1.00 1.56 O ATOM 968 CB ASP A 60 -2.312 -6.577 -11.633 1.00 1.97 C ATOM 969 CG ASP A 60 -2.341 -8.032 -11.124 1.00 2.74 C ATOM 970 OD1 ASP A 60 -1.956 -8.935 -11.901 1.00 3.14 O ATOM 971 OD2 ASP A 60 -2.672 -8.241 -9.930 1.00 3.74 O ATOM 0 H ASP A 60 -1.294 -4.536 -10.785 1.00 1.34 H new ATOM 0 HA ASP A 60 -0.197 -6.947 -11.857 1.00 1.46 H new ATOM 0 HB2 ASP A 60 -2.674 -5.913 -10.849 1.00 1.97 H new ATOM 0 HB3 ASP A 60 -2.995 -6.476 -12.477 1.00 1.97 H new ATOM 976 N LYS A 61 -0.347 -4.731 -14.043 1.00 1.40 N ATOM 977 CA LYS A 61 -0.098 -4.334 -15.446 1.00 1.61 C ATOM 978 C LYS A 61 1.141 -5.053 -16.017 1.00 1.54 C ATOM 979 O LYS A 61 1.244 -5.267 -17.222 1.00 1.84 O ATOM 980 CB LYS A 61 0.091 -2.793 -15.476 1.00 1.78 C ATOM 981 CG LYS A 61 -0.480 -1.989 -16.668 1.00 2.22 C ATOM 982 CD LYS A 61 -2.018 -1.870 -16.789 1.00 3.11 C ATOM 983 CE LYS A 61 -2.790 -1.040 -15.733 1.00 4.07 C ATOM 984 NZ LYS A 61 -2.699 0.441 -15.853 1.00 4.75 N ATOM 0 H LYS A 61 -0.191 -3.957 -13.397 1.00 1.40 H new ATOM 0 HA LYS A 61 -0.944 -4.622 -16.071 1.00 1.61 H new ATOM 0 HB2 LYS A 61 -0.352 -2.390 -14.565 1.00 1.78 H new ATOM 0 HB3 LYS A 61 1.161 -2.592 -15.426 1.00 1.78 H new ATOM 0 HG2 LYS A 61 -0.069 -0.981 -16.619 1.00 2.22 H new ATOM 0 HG3 LYS A 61 -0.106 -2.441 -17.587 1.00 2.22 H new ATOM 0 HD2 LYS A 61 -2.240 -1.445 -17.768 1.00 3.11 H new ATOM 0 HD3 LYS A 61 -2.428 -2.880 -16.779 1.00 3.11 H new ATOM 0 HE2 LYS A 61 -3.842 -1.322 -15.781 1.00 4.07 H new ATOM 0 HE3 LYS A 61 -2.428 -1.325 -14.745 1.00 4.07 H new ATOM 0 HZ1 LYS A 61 -2.146 0.820 -15.058 1.00 4.75 H new ATOM 0 HZ2 LYS A 61 -2.232 0.689 -16.749 1.00 4.75 H new ATOM 0 HZ3 LYS A 61 -3.655 0.850 -15.836 1.00 4.75 H new ATOM 998 N ASN A 62 2.077 -5.416 -15.131 1.00 1.34 N ATOM 999 CA ASN A 62 3.288 -6.200 -15.415 1.00 1.49 C ATOM 1000 C ASN A 62 3.471 -7.359 -14.414 1.00 1.44 C ATOM 1001 O ASN A 62 3.998 -8.412 -14.757 1.00 2.23 O ATOM 1002 CB ASN A 62 4.502 -5.259 -15.367 1.00 1.69 C ATOM 1003 CG ASN A 62 4.442 -4.177 -16.437 1.00 2.12 C ATOM 1004 OD1 ASN A 62 4.020 -3.056 -16.204 1.00 2.72 O ATOM 1005 ND2 ASN A 62 4.790 -4.515 -17.664 1.00 2.72 N ATOM 0 H ASN A 62 2.008 -5.158 -14.147 1.00 1.34 H new ATOM 0 HA ASN A 62 3.192 -6.647 -16.405 1.00 1.49 H new ATOM 0 HB2 ASN A 62 4.557 -4.791 -14.384 1.00 1.69 H new ATOM 0 HB3 ASN A 62 5.415 -5.841 -15.494 1.00 1.69 H new ATOM 0 HD21 ASN A 62 4.707 -3.838 -18.422 1.00 2.72 H new ATOM 0 HD22 ASN A 62 5.142 -5.453 -17.854 1.00 2.72 H new ATOM 1012 N SER A 63 3.018 -7.156 -13.178 1.00 1.18 N ATOM 1013 CA SER A 63 2.556 -8.143 -12.188 1.00 1.14 C ATOM 1014 C SER A 63 3.618 -9.016 -11.506 1.00 1.07 C ATOM 1015 O SER A 63 3.692 -9.029 -10.280 1.00 1.29 O ATOM 1016 CB SER A 63 1.423 -9.012 -12.764 1.00 1.33 C ATOM 1017 OG SER A 63 0.549 -9.414 -11.722 1.00 2.13 O ATOM 0 H SER A 63 2.957 -6.209 -12.804 1.00 1.18 H new ATOM 0 HA SER A 63 2.191 -7.517 -11.374 1.00 1.14 H new ATOM 0 HB2 SER A 63 0.871 -8.452 -13.519 1.00 1.33 H new ATOM 0 HB3 SER A 63 1.841 -9.889 -13.259 1.00 1.33 H new ATOM 0 HG SER A 63 -0.371 -9.438 -12.058 1.00 2.13 H new ATOM 1023 N ASP A 64 4.464 -9.723 -12.251 1.00 1.00 N ATOM 1024 CA ASP A 64 5.235 -10.870 -11.739 1.00 1.08 C ATOM 1025 C ASP A 64 6.737 -10.558 -11.736 1.00 1.03 C ATOM 1026 O ASP A 64 7.603 -11.422 -11.639 1.00 1.35 O ATOM 1027 CB ASP A 64 4.835 -12.134 -12.521 1.00 1.48 C ATOM 1028 CG ASP A 64 3.358 -12.486 -12.282 1.00 2.34 C ATOM 1029 OD1 ASP A 64 2.951 -12.638 -11.103 1.00 3.39 O ATOM 1030 OD2 ASP A 64 2.577 -12.563 -13.256 1.00 2.88 O ATOM 0 H ASP A 64 4.640 -9.521 -13.235 1.00 1.00 H new ATOM 0 HA ASP A 64 4.995 -11.066 -10.694 1.00 1.08 H new ATOM 0 HB2 ASP A 64 5.007 -11.977 -13.586 1.00 1.48 H new ATOM 0 HB3 ASP A 64 5.465 -12.969 -12.216 1.00 1.48 H new ATOM 1035 N GLN A 65 7.017 -9.261 -11.808 1.00 1.05 N ATOM 1036 CA GLN A 65 8.286 -8.625 -11.520 1.00 1.05 C ATOM 1037 C GLN A 65 8.309 -8.162 -10.061 1.00 0.98 C ATOM 1038 O GLN A 65 7.248 -7.936 -9.467 1.00 0.95 O ATOM 1039 CB GLN A 65 8.505 -7.395 -12.416 1.00 1.22 C ATOM 1040 CG GLN A 65 7.436 -7.021 -13.454 1.00 1.60 C ATOM 1041 CD GLN A 65 7.789 -5.682 -14.099 1.00 2.14 C ATOM 1042 OE1 GLN A 65 7.323 -4.640 -13.682 1.00 2.65 O ATOM 1043 NE2 GLN A 65 8.644 -5.638 -15.105 1.00 2.97 N ATOM 0 H GLN A 65 6.309 -8.583 -12.090 1.00 1.05 H new ATOM 0 HA GLN A 65 9.075 -9.353 -11.708 1.00 1.05 H new ATOM 0 HB2 GLN A 65 8.642 -6.534 -11.762 1.00 1.22 H new ATOM 0 HB3 GLN A 65 9.443 -7.542 -12.951 1.00 1.22 H new ATOM 0 HG2 GLN A 65 7.369 -7.797 -14.217 1.00 1.60 H new ATOM 0 HG3 GLN A 65 6.458 -6.959 -12.977 1.00 1.60 H new ATOM 0 HE21 GLN A 65 9.047 -6.501 -15.470 1.00 2.97 H new ATOM 0 HE22 GLN A 65 8.901 -4.741 -15.517 1.00 2.97 H new ATOM 1052 N GLU A 66 9.508 -7.935 -9.526 1.00 1.05 N ATOM 1053 CA GLU A 66 9.663 -7.464 -8.159 1.00 1.06 C ATOM 1054 C GLU A 66 9.458 -5.952 -7.975 1.00 1.06 C ATOM 1055 O GLU A 66 9.541 -5.137 -8.899 1.00 1.20 O ATOM 1056 CB GLU A 66 11.009 -7.907 -7.558 1.00 1.14 C ATOM 1057 CG GLU A 66 11.066 -9.417 -7.304 1.00 1.14 C ATOM 1058 CD GLU A 66 12.398 -9.805 -6.672 1.00 1.48 C ATOM 1059 OE1 GLU A 66 12.501 -9.678 -5.426 1.00 2.10 O ATOM 1060 OE2 GLU A 66 13.305 -10.186 -7.446 1.00 2.47 O ATOM 0 H GLU A 66 10.387 -8.072 -10.025 1.00 1.05 H new ATOM 0 HA GLU A 66 8.851 -7.940 -7.609 1.00 1.06 H new ATOM 0 HB2 GLU A 66 11.816 -7.624 -8.234 1.00 1.14 H new ATOM 0 HB3 GLU A 66 11.177 -7.377 -6.621 1.00 1.14 H new ATOM 0 HG2 GLU A 66 10.247 -9.712 -6.648 1.00 1.14 H new ATOM 0 HG3 GLU A 66 10.933 -9.954 -8.243 1.00 1.14 H new ATOM 1067 N ILE A 67 9.195 -5.622 -6.718 1.00 0.98 N ATOM 1068 CA ILE A 67 9.084 -4.300 -6.086 1.00 0.89 C ATOM 1069 C ILE A 67 9.741 -4.331 -4.709 1.00 0.87 C ATOM 1070 O ILE A 67 9.629 -5.336 -4.013 1.00 0.90 O ATOM 1071 CB ILE A 67 7.610 -3.912 -5.827 1.00 0.79 C ATOM 1072 CG1 ILE A 67 6.749 -5.157 -5.548 1.00 1.35 C ATOM 1073 CG2 ILE A 67 7.066 -3.090 -6.988 1.00 1.59 C ATOM 1074 CD1 ILE A 67 5.366 -4.850 -5.021 1.00 1.75 C ATOM 0 H ILE A 67 9.034 -6.357 -6.030 1.00 0.98 H new ATOM 0 HA ILE A 67 9.558 -3.591 -6.764 1.00 0.89 H new ATOM 0 HB ILE A 67 7.566 -3.291 -4.933 1.00 0.79 H new ATOM 0 HG12 ILE A 67 6.655 -5.733 -6.468 1.00 1.35 H new ATOM 0 HG13 ILE A 67 7.268 -5.789 -4.828 1.00 1.35 H new ATOM 0 HG21 ILE A 67 6.027 -2.825 -6.791 1.00 1.59 H new ATOM 0 HG22 ILE A 67 7.658 -2.181 -7.099 1.00 1.59 H new ATOM 0 HG23 ILE A 67 7.123 -3.675 -7.906 1.00 1.59 H new ATOM 0 HD11 ILE A 67 4.826 -5.782 -4.851 1.00 1.75 H new ATOM 0 HD12 ILE A 67 5.448 -4.302 -4.082 1.00 1.75 H new ATOM 0 HD13 ILE A 67 4.825 -4.245 -5.749 1.00 1.75 H new ATOM 1086 N ASP A 68 10.303 -3.205 -4.282 1.00 0.86 N ATOM 1087 CA ASP A 68 10.646 -2.928 -2.882 1.00 0.80 C ATOM 1088 C ASP A 68 9.599 -2.041 -2.173 1.00 0.84 C ATOM 1089 O ASP A 68 8.669 -1.509 -2.786 1.00 1.13 O ATOM 1090 CB ASP A 68 12.050 -2.305 -2.820 1.00 0.89 C ATOM 1091 CG ASP A 68 12.071 -0.841 -3.265 1.00 1.11 C ATOM 1092 OD1 ASP A 68 12.047 -0.557 -4.485 1.00 2.37 O ATOM 1093 OD2 ASP A 68 12.134 0.056 -2.396 1.00 1.82 O ATOM 0 H ASP A 68 10.540 -2.438 -4.911 1.00 0.86 H new ATOM 0 HA ASP A 68 10.644 -3.873 -2.339 1.00 0.80 H new ATOM 0 HB2 ASP A 68 12.429 -2.375 -1.800 1.00 0.89 H new ATOM 0 HB3 ASP A 68 12.726 -2.881 -3.451 1.00 0.89 H new ATOM 1098 N PHE A 69 9.809 -1.838 -0.866 1.00 0.75 N ATOM 1099 CA PHE A 69 8.950 -1.093 0.068 1.00 0.75 C ATOM 1100 C PHE A 69 8.578 0.342 -0.383 1.00 0.76 C ATOM 1101 O PHE A 69 7.601 0.918 0.088 1.00 0.79 O ATOM 1102 CB PHE A 69 9.689 -1.064 1.419 1.00 0.84 C ATOM 1103 CG PHE A 69 8.804 -1.129 2.649 1.00 1.15 C ATOM 1104 CD1 PHE A 69 8.182 0.027 3.163 1.00 2.24 C ATOM 1105 CD2 PHE A 69 8.642 -2.359 3.313 1.00 2.29 C ATOM 1106 CE1 PHE A 69 7.442 -0.037 4.355 1.00 2.83 C ATOM 1107 CE2 PHE A 69 7.900 -2.423 4.504 1.00 2.98 C ATOM 1108 CZ PHE A 69 7.314 -1.262 5.032 1.00 2.82 C ATOM 0 H PHE A 69 10.636 -2.213 -0.401 1.00 0.75 H new ATOM 0 HA PHE A 69 7.989 -1.605 0.125 1.00 0.75 H new ATOM 0 HB2 PHE A 69 10.386 -1.901 1.450 1.00 0.84 H new ATOM 0 HB3 PHE A 69 10.284 -0.152 1.469 1.00 0.84 H new ATOM 0 HD1 PHE A 69 8.275 0.966 2.638 1.00 2.24 H new ATOM 0 HD2 PHE A 69 9.088 -3.254 2.907 1.00 2.29 H new ATOM 0 HE1 PHE A 69 6.973 0.852 4.750 1.00 2.83 H new ATOM 0 HE2 PHE A 69 7.780 -3.367 5.014 1.00 2.98 H new ATOM 0 HZ PHE A 69 6.764 -1.310 5.960 1.00 2.82 H new ATOM 1118 N LYS A 70 9.328 0.927 -1.319 1.00 0.79 N ATOM 1119 CA LYS A 70 9.069 2.226 -1.942 1.00 0.90 C ATOM 1120 C LYS A 70 7.745 2.222 -2.711 1.00 0.84 C ATOM 1121 O LYS A 70 6.894 3.084 -2.481 1.00 0.84 O ATOM 1122 CB LYS A 70 10.258 2.440 -2.881 1.00 1.12 C ATOM 1123 CG LYS A 70 10.277 3.731 -3.706 1.00 2.14 C ATOM 1124 CD LYS A 70 11.267 3.610 -4.882 1.00 2.76 C ATOM 1125 CE LYS A 70 12.740 3.363 -4.499 1.00 2.91 C ATOM 1126 NZ LYS A 70 13.048 1.944 -4.176 1.00 3.38 N ATOM 0 H LYS A 70 10.174 0.486 -1.681 1.00 0.79 H new ATOM 0 HA LYS A 70 8.974 3.025 -1.207 1.00 0.90 H new ATOM 0 HB2 LYS A 70 11.170 2.407 -2.284 1.00 1.12 H new ATOM 0 HB3 LYS A 70 10.299 1.598 -3.571 1.00 1.12 H new ATOM 0 HG2 LYS A 70 9.277 3.941 -4.086 1.00 2.14 H new ATOM 0 HG3 LYS A 70 10.560 4.571 -3.071 1.00 2.14 H new ATOM 0 HD2 LYS A 70 10.938 2.795 -5.527 1.00 2.76 H new ATOM 0 HD3 LYS A 70 11.214 4.525 -5.472 1.00 2.76 H new ATOM 0 HE2 LYS A 70 13.378 3.685 -5.322 1.00 2.91 H new ATOM 0 HE3 LYS A 70 12.991 3.984 -3.639 1.00 2.91 H new ATOM 0 HZ1 LYS A 70 14.037 1.739 -4.422 1.00 3.38 H new ATOM 0 HZ2 LYS A 70 12.903 1.780 -3.159 1.00 3.38 H new ATOM 0 HZ3 LYS A 70 12.419 1.320 -4.720 1.00 3.38 H new ATOM 1140 N GLU A 71 7.568 1.238 -3.597 1.00 0.84 N ATOM 1141 CA GLU A 71 6.364 1.104 -4.414 1.00 0.84 C ATOM 1142 C GLU A 71 5.153 0.703 -3.560 1.00 0.80 C ATOM 1143 O GLU A 71 4.015 1.044 -3.870 1.00 1.05 O ATOM 1144 CB GLU A 71 6.603 0.153 -5.596 1.00 0.91 C ATOM 1145 CG GLU A 71 7.705 0.699 -6.527 1.00 1.11 C ATOM 1146 CD GLU A 71 7.380 0.516 -8.015 1.00 1.63 C ATOM 1147 OE1 GLU A 71 6.308 0.974 -8.464 1.00 2.40 O ATOM 1148 OE2 GLU A 71 8.171 -0.145 -8.718 1.00 2.38 O ATOM 0 H GLU A 71 8.261 0.509 -3.767 1.00 0.84 H new ATOM 0 HA GLU A 71 6.128 2.079 -4.841 1.00 0.84 H new ATOM 0 HB2 GLU A 71 6.890 -0.831 -5.224 1.00 0.91 H new ATOM 0 HB3 GLU A 71 5.678 0.024 -6.157 1.00 0.91 H new ATOM 0 HG2 GLU A 71 7.854 1.759 -6.321 1.00 1.11 H new ATOM 0 HG3 GLU A 71 8.645 0.195 -6.302 1.00 1.11 H new ATOM 1155 N TYR A 72 5.408 0.073 -2.408 1.00 0.61 N ATOM 1156 CA TYR A 72 4.402 -0.101 -1.359 1.00 0.51 C ATOM 1157 C TYR A 72 3.993 1.245 -0.732 1.00 0.52 C ATOM 1158 O TYR A 72 2.811 1.592 -0.727 1.00 0.53 O ATOM 1159 CB TYR A 72 4.958 -1.119 -0.351 1.00 0.49 C ATOM 1160 CG TYR A 72 4.200 -1.361 0.947 1.00 0.49 C ATOM 1161 CD1 TYR A 72 2.793 -1.378 0.994 1.00 1.68 C ATOM 1162 CD2 TYR A 72 4.928 -1.673 2.112 1.00 1.54 C ATOM 1163 CE1 TYR A 72 2.124 -1.823 2.145 1.00 1.75 C ATOM 1164 CE2 TYR A 72 4.261 -2.058 3.286 1.00 1.55 C ATOM 1165 CZ TYR A 72 2.856 -2.172 3.298 1.00 0.72 C ATOM 1166 OH TYR A 72 2.207 -2.631 4.399 1.00 0.90 O ATOM 0 H TYR A 72 6.317 -0.329 -2.179 1.00 0.61 H new ATOM 0 HA TYR A 72 3.472 -0.493 -1.770 1.00 0.51 H new ATOM 0 HB2 TYR A 72 5.046 -2.076 -0.864 1.00 0.49 H new ATOM 0 HB3 TYR A 72 5.968 -0.804 -0.089 1.00 0.49 H new ATOM 0 HD1 TYR A 72 2.224 -1.046 0.138 1.00 1.68 H new ATOM 0 HD2 TYR A 72 6.006 -1.616 2.102 1.00 1.54 H new ATOM 0 HE1 TYR A 72 1.047 -1.898 2.147 1.00 1.75 H new ATOM 0 HE2 TYR A 72 4.826 -2.267 4.182 1.00 1.55 H new ATOM 0 HH TYR A 72 2.860 -2.857 5.093 1.00 0.90 H new ATOM 1176 N SER A 73 4.934 2.046 -0.230 1.00 0.59 N ATOM 1177 CA SER A 73 4.616 3.254 0.544 1.00 0.64 C ATOM 1178 C SER A 73 4.140 4.447 -0.293 1.00 0.61 C ATOM 1179 O SER A 73 3.249 5.168 0.166 1.00 0.60 O ATOM 1180 CB SER A 73 5.811 3.646 1.412 1.00 0.69 C ATOM 1181 OG SER A 73 6.938 3.975 0.632 1.00 1.13 O ATOM 0 H SER A 73 5.934 1.880 -0.346 1.00 0.59 H new ATOM 0 HA SER A 73 3.763 2.990 1.170 1.00 0.64 H new ATOM 0 HB2 SER A 73 5.542 4.496 2.039 1.00 0.69 H new ATOM 0 HB3 SER A 73 6.060 2.823 2.081 1.00 0.69 H new ATOM 0 HG SER A 73 7.704 4.144 1.219 1.00 1.13 H new ATOM 1187 N VAL A 74 4.644 4.629 -1.523 1.00 0.62 N ATOM 1188 CA VAL A 74 4.108 5.648 -2.446 1.00 0.63 C ATOM 1189 C VAL A 74 2.658 5.362 -2.819 1.00 0.66 C ATOM 1190 O VAL A 74 1.887 6.307 -2.917 1.00 0.67 O ATOM 1191 CB VAL A 74 4.902 5.832 -3.759 1.00 0.75 C ATOM 1192 CG1 VAL A 74 6.327 6.318 -3.493 1.00 0.84 C ATOM 1193 CG2 VAL A 74 4.890 4.604 -4.680 1.00 0.90 C ATOM 0 H VAL A 74 5.420 4.087 -1.903 1.00 0.62 H new ATOM 0 HA VAL A 74 4.198 6.572 -1.875 1.00 0.63 H new ATOM 0 HB VAL A 74 4.371 6.610 -4.307 1.00 0.75 H new ATOM 0 HG11 VAL A 74 6.854 6.436 -4.440 1.00 0.84 H new ATOM 0 HG12 VAL A 74 6.294 7.276 -2.975 1.00 0.84 H new ATOM 0 HG13 VAL A 74 6.851 5.589 -2.875 1.00 0.84 H new ATOM 0 HG21 VAL A 74 5.470 4.817 -5.578 1.00 0.90 H new ATOM 0 HG22 VAL A 74 5.329 3.754 -4.158 1.00 0.90 H new ATOM 0 HG23 VAL A 74 3.863 4.368 -4.959 1.00 0.90 H new ATOM 1203 N PHE A 75 2.269 4.091 -2.988 1.00 0.70 N ATOM 1204 CA PHE A 75 0.907 3.690 -3.349 1.00 0.73 C ATOM 1205 C PHE A 75 -0.018 3.868 -2.145 1.00 0.65 C ATOM 1206 O PHE A 75 -1.044 4.525 -2.282 1.00 0.72 O ATOM 1207 CB PHE A 75 0.965 2.245 -3.872 1.00 0.75 C ATOM 1208 CG PHE A 75 -0.287 1.577 -4.433 1.00 0.76 C ATOM 1209 CD1 PHE A 75 -1.559 2.186 -4.481 1.00 2.08 C ATOM 1210 CD2 PHE A 75 -0.144 0.273 -4.942 1.00 1.63 C ATOM 1211 CE1 PHE A 75 -2.668 1.486 -4.995 1.00 2.11 C ATOM 1212 CE2 PHE A 75 -1.240 -0.406 -5.499 1.00 1.73 C ATOM 1213 CZ PHE A 75 -2.500 0.201 -5.536 1.00 1.01 C ATOM 0 H PHE A 75 2.904 3.301 -2.875 1.00 0.70 H new ATOM 0 HA PHE A 75 0.494 4.316 -4.140 1.00 0.73 H new ATOM 0 HB2 PHE A 75 1.724 2.215 -4.654 1.00 0.75 H new ATOM 0 HB3 PHE A 75 1.325 1.620 -3.054 1.00 0.75 H new ATOM 0 HD1 PHE A 75 -1.683 3.197 -4.121 1.00 2.08 H new ATOM 0 HD2 PHE A 75 0.820 -0.212 -4.904 1.00 1.63 H new ATOM 0 HE1 PHE A 75 -3.649 1.938 -4.973 1.00 2.11 H new ATOM 0 HE2 PHE A 75 -1.110 -1.400 -5.900 1.00 1.73 H new ATOM 0 HZ PHE A 75 -3.339 -0.316 -5.978 1.00 1.01 H new ATOM 1223 N LEU A 76 0.377 3.419 -0.942 1.00 0.57 N ATOM 1224 CA LEU A 76 -0.362 3.715 0.295 1.00 0.55 C ATOM 1225 C LEU A 76 -0.588 5.222 0.494 1.00 0.56 C ATOM 1226 O LEU A 76 -1.704 5.638 0.795 1.00 0.60 O ATOM 1227 CB LEU A 76 0.404 3.151 1.504 1.00 0.53 C ATOM 1228 CG LEU A 76 0.379 1.622 1.688 1.00 0.60 C ATOM 1229 CD1 LEU A 76 1.094 1.314 3.014 1.00 1.02 C ATOM 1230 CD2 LEU A 76 -1.049 1.061 1.693 1.00 0.69 C ATOM 0 H LEU A 76 1.209 2.846 -0.801 1.00 0.57 H new ATOM 0 HA LEU A 76 -1.340 3.242 0.210 1.00 0.55 H new ATOM 0 HB2 LEU A 76 1.444 3.467 1.425 1.00 0.53 H new ATOM 0 HB3 LEU A 76 -0.001 3.609 2.407 1.00 0.53 H new ATOM 0 HG LEU A 76 0.884 1.142 0.850 1.00 0.60 H new ATOM 0 HD11 LEU A 76 1.099 0.237 3.183 1.00 1.02 H new ATOM 0 HD12 LEU A 76 2.120 1.678 2.967 1.00 1.02 H new ATOM 0 HD13 LEU A 76 0.571 1.808 3.833 1.00 1.02 H new ATOM 0 HD21 LEU A 76 -1.015 -0.020 1.825 1.00 0.69 H new ATOM 0 HD22 LEU A 76 -1.613 1.509 2.511 1.00 0.69 H new ATOM 0 HD23 LEU A 76 -1.535 1.295 0.746 1.00 0.69 H new ATOM 1242 N THR A 77 0.455 6.031 0.271 1.00 0.56 N ATOM 1243 CA THR A 77 0.408 7.496 0.396 1.00 0.58 C ATOM 1244 C THR A 77 -0.481 8.123 -0.671 1.00 0.64 C ATOM 1245 O THR A 77 -1.412 8.852 -0.343 1.00 0.69 O ATOM 1246 CB THR A 77 1.832 8.055 0.347 1.00 0.61 C ATOM 1247 OG1 THR A 77 2.543 7.542 1.445 1.00 0.61 O ATOM 1248 CG2 THR A 77 1.847 9.580 0.415 1.00 0.69 C ATOM 0 H THR A 77 1.372 5.681 -0.006 1.00 0.56 H new ATOM 0 HA THR A 77 -0.038 7.754 1.357 1.00 0.58 H new ATOM 0 HB THR A 77 2.288 7.759 -0.598 1.00 0.61 H new ATOM 0 HG1 THR A 77 2.890 6.653 1.223 1.00 0.61 H new ATOM 0 HG21 THR A 77 2.877 9.936 0.377 1.00 0.69 H new ATOM 0 HG22 THR A 77 1.291 9.987 -0.430 1.00 0.69 H new ATOM 0 HG23 THR A 77 1.384 9.907 1.346 1.00 0.69 H new ATOM 1256 N MET A 78 -0.241 7.805 -1.943 1.00 0.67 N ATOM 1257 CA MET A 78 -0.997 8.296 -3.103 1.00 0.72 C ATOM 1258 C MET A 78 -2.485 7.954 -2.999 1.00 0.71 C ATOM 1259 O MET A 78 -3.336 8.792 -3.287 1.00 0.78 O ATOM 1260 CB MET A 78 -0.367 7.675 -4.359 1.00 0.74 C ATOM 1261 CG MET A 78 -1.126 7.963 -5.653 1.00 1.22 C ATOM 1262 SD MET A 78 -0.177 7.671 -7.167 1.00 1.28 S ATOM 1263 CE MET A 78 0.343 5.955 -6.918 1.00 1.27 C ATOM 0 H MET A 78 0.515 7.173 -2.208 1.00 0.67 H new ATOM 0 HA MET A 78 -0.943 9.384 -3.148 1.00 0.72 H new ATOM 0 HB2 MET A 78 0.653 8.045 -4.460 1.00 0.74 H new ATOM 0 HB3 MET A 78 -0.302 6.596 -4.223 1.00 0.74 H new ATOM 0 HG2 MET A 78 -2.023 7.344 -5.678 1.00 1.22 H new ATOM 0 HG3 MET A 78 -1.456 9.002 -5.642 1.00 1.22 H new ATOM 0 HE1 MET A 78 0.584 5.505 -7.881 1.00 1.27 H new ATOM 0 HE2 MET A 78 1.223 5.931 -6.276 1.00 1.27 H new ATOM 0 HE3 MET A 78 -0.465 5.395 -6.447 1.00 1.27 H new ATOM 1273 N LEU A 79 -2.791 6.735 -2.554 1.00 0.66 N ATOM 1274 CA LEU A 79 -4.154 6.290 -2.312 1.00 0.69 C ATOM 1275 C LEU A 79 -4.780 7.072 -1.156 1.00 0.71 C ATOM 1276 O LEU A 79 -5.905 7.536 -1.311 1.00 0.79 O ATOM 1277 CB LEU A 79 -4.136 4.765 -2.104 1.00 0.75 C ATOM 1278 CG LEU A 79 -5.515 4.136 -1.872 1.00 1.04 C ATOM 1279 CD1 LEU A 79 -6.532 4.498 -2.962 1.00 1.48 C ATOM 1280 CD2 LEU A 79 -5.378 2.609 -1.789 1.00 1.90 C ATOM 0 H LEU A 79 -2.088 6.025 -2.351 1.00 0.66 H new ATOM 0 HA LEU A 79 -4.794 6.496 -3.170 1.00 0.69 H new ATOM 0 HB2 LEU A 79 -3.680 4.298 -2.977 1.00 0.75 H new ATOM 0 HB3 LEU A 79 -3.498 4.535 -1.250 1.00 0.75 H new ATOM 0 HG LEU A 79 -5.893 4.541 -0.933 1.00 1.04 H new ATOM 0 HD11 LEU A 79 -7.487 4.022 -2.741 1.00 1.48 H new ATOM 0 HD12 LEU A 79 -6.663 5.580 -2.992 1.00 1.48 H new ATOM 0 HD13 LEU A 79 -6.169 4.150 -3.929 1.00 1.48 H new ATOM 0 HD21 LEU A 79 -6.359 2.164 -1.624 1.00 1.90 H new ATOM 0 HD22 LEU A 79 -4.960 2.230 -2.722 1.00 1.90 H new ATOM 0 HD23 LEU A 79 -4.717 2.347 -0.962 1.00 1.90 H new ATOM 1292 N CYS A 80 -4.056 7.317 -0.060 1.00 0.69 N ATOM 1293 CA CYS A 80 -4.536 8.190 1.015 1.00 0.74 C ATOM 1294 C CYS A 80 -4.920 9.590 0.497 1.00 0.82 C ATOM 1295 O CYS A 80 -5.995 10.094 0.805 1.00 0.97 O ATOM 1296 CB CYS A 80 -3.492 8.211 2.140 1.00 0.80 C ATOM 1297 SG CYS A 80 -4.314 8.506 3.731 1.00 1.08 S ATOM 0 H CYS A 80 -3.131 6.921 0.106 1.00 0.69 H new ATOM 0 HA CYS A 80 -5.463 7.791 1.426 1.00 0.74 H new ATOM 0 HB2 CYS A 80 -2.954 7.263 2.168 1.00 0.80 H new ATOM 0 HB3 CYS A 80 -2.755 8.991 1.950 1.00 0.80 H new ATOM 0 HG CYS A 80 -5.065 9.563 3.642 1.00 1.08 H new ATOM 1303 N MET A 81 -4.108 10.185 -0.384 1.00 0.83 N ATOM 1304 CA MET A 81 -4.355 11.502 -0.967 1.00 0.94 C ATOM 1305 C MET A 81 -5.636 11.545 -1.807 1.00 1.18 C ATOM 1306 O MET A 81 -6.186 12.624 -2.007 1.00 1.44 O ATOM 1307 CB MET A 81 -3.118 11.950 -1.763 1.00 1.03 C ATOM 1308 CG MET A 81 -1.909 12.146 -0.833 1.00 1.75 C ATOM 1309 SD MET A 81 -0.365 12.558 -1.682 1.00 2.67 S ATOM 1310 CE MET A 81 -0.662 14.328 -1.900 1.00 3.35 C ATOM 0 H MET A 81 -3.245 9.754 -0.716 1.00 0.83 H new ATOM 0 HA MET A 81 -4.522 12.210 -0.155 1.00 0.94 H new ATOM 0 HB2 MET A 81 -2.880 11.206 -2.523 1.00 1.03 H new ATOM 0 HB3 MET A 81 -3.335 12.882 -2.286 1.00 1.03 H new ATOM 0 HG2 MET A 81 -2.140 12.939 -0.121 1.00 1.75 H new ATOM 0 HG3 MET A 81 -1.759 11.233 -0.256 1.00 1.75 H new ATOM 0 HE1 MET A 81 0.187 14.779 -2.413 1.00 3.35 H new ATOM 0 HE2 MET A 81 -1.564 14.475 -2.493 1.00 3.35 H new ATOM 0 HE3 MET A 81 -0.788 14.799 -0.925 1.00 3.35 H new ATOM 1320 N ALA A 82 -6.144 10.389 -2.253 1.00 1.19 N ATOM 1321 CA ALA A 82 -7.375 10.268 -3.032 1.00 1.40 C ATOM 1322 C ALA A 82 -8.681 10.337 -2.204 1.00 1.47 C ATOM 1323 O ALA A 82 -9.763 10.283 -2.793 1.00 1.70 O ATOM 1324 CB ALA A 82 -7.297 8.989 -3.879 1.00 1.44 C ATOM 0 H ALA A 82 -5.695 9.490 -2.075 1.00 1.19 H new ATOM 0 HA ALA A 82 -7.436 11.146 -3.675 1.00 1.40 H new ATOM 0 HB1 ALA A 82 -8.209 8.885 -4.466 1.00 1.44 H new ATOM 0 HB2 ALA A 82 -6.439 9.048 -4.549 1.00 1.44 H new ATOM 0 HB3 ALA A 82 -7.187 8.125 -3.224 1.00 1.44 H new ATOM 1330 N TYR A 83 -8.591 10.427 -0.873 1.00 1.34 N ATOM 1331 CA TYR A 83 -9.703 10.676 0.067 1.00 1.51 C ATOM 1332 C TYR A 83 -9.284 11.521 1.295 1.00 1.45 C ATOM 1333 O TYR A 83 -9.992 11.569 2.296 1.00 2.03 O ATOM 1334 CB TYR A 83 -10.355 9.351 0.493 1.00 1.76 C ATOM 1335 CG TYR A 83 -9.393 8.333 1.060 1.00 1.62 C ATOM 1336 CD1 TYR A 83 -8.977 8.414 2.404 1.00 2.91 C ATOM 1337 CD2 TYR A 83 -8.885 7.322 0.225 1.00 1.46 C ATOM 1338 CE1 TYR A 83 -8.013 7.519 2.900 1.00 2.96 C ATOM 1339 CE2 TYR A 83 -7.937 6.416 0.716 1.00 1.57 C ATOM 1340 CZ TYR A 83 -7.487 6.519 2.053 1.00 1.78 C ATOM 1341 OH TYR A 83 -6.506 5.697 2.510 1.00 2.09 O ATOM 0 H TYR A 83 -7.698 10.324 -0.392 1.00 1.34 H new ATOM 0 HA TYR A 83 -10.441 11.274 -0.468 1.00 1.51 H new ATOM 0 HB2 TYR A 83 -11.122 9.561 1.238 1.00 1.76 H new ATOM 0 HB3 TYR A 83 -10.859 8.915 -0.369 1.00 1.76 H new ATOM 0 HD1 TYR A 83 -9.400 9.165 3.054 1.00 2.91 H new ATOM 0 HD2 TYR A 83 -9.227 7.244 -0.797 1.00 1.46 H new ATOM 0 HE1 TYR A 83 -7.677 7.596 3.923 1.00 2.96 H new ATOM 0 HE2 TYR A 83 -7.549 5.639 0.074 1.00 1.57 H new ATOM 0 HH TYR A 83 -6.255 5.064 1.805 1.00 2.09 H new ATOM 1351 N ASN A 84 -8.137 12.209 1.226 1.00 1.14 N ATOM 1352 CA ASN A 84 -7.629 13.083 2.292 1.00 1.29 C ATOM 1353 C ASN A 84 -8.265 14.476 2.292 1.00 1.26 C ATOM 1354 O ASN A 84 -7.786 15.363 2.992 1.00 1.68 O ATOM 1355 CB ASN A 84 -6.085 13.115 2.264 1.00 1.55 C ATOM 1356 CG ASN A 84 -5.430 11.961 3.024 1.00 2.14 C ATOM 1357 OD1 ASN A 84 -6.063 11.152 3.681 1.00 3.26 O ATOM 1358 ND2 ASN A 84 -4.111 11.853 2.984 1.00 2.49 N ATOM 0 H ASN A 84 -7.524 12.173 0.412 1.00 1.14 H new ATOM 0 HA ASN A 84 -7.935 12.653 3.246 1.00 1.29 H new ATOM 0 HB2 ASN A 84 -5.749 13.092 1.227 1.00 1.55 H new ATOM 0 HB3 ASN A 84 -5.743 14.058 2.689 1.00 1.55 H new ATOM 0 HD21 ASN A 84 -3.645 11.104 3.496 1.00 2.49 H new ATOM 0 HD22 ASN A 84 -3.561 12.519 2.441 1.00 2.49 H new ATOM 1365 N ASP A 85 -9.373 14.662 1.573 1.00 1.29 N ATOM 1366 CA ASP A 85 -10.221 15.848 1.646 1.00 1.39 C ATOM 1367 C ASP A 85 -10.833 16.101 3.039 1.00 1.55 C ATOM 1368 O ASP A 85 -11.181 17.238 3.352 1.00 1.78 O ATOM 1369 CB ASP A 85 -11.239 15.869 0.484 1.00 1.99 C ATOM 1370 CG ASP A 85 -11.926 14.530 0.182 1.00 2.84 C ATOM 1371 OD1 ASP A 85 -11.194 13.594 -0.219 1.00 3.55 O ATOM 1372 OD2 ASP A 85 -13.166 14.451 0.300 1.00 3.66 O ATOM 0 H ASP A 85 -9.713 13.970 0.905 1.00 1.29 H new ATOM 0 HA ASP A 85 -9.573 16.714 1.508 1.00 1.39 H new ATOM 0 HB2 ASP A 85 -12.007 16.608 0.711 1.00 1.99 H new ATOM 0 HB3 ASP A 85 -10.728 16.206 -0.418 1.00 1.99 H new ATOM 1377 N PHE A 86 -10.786 15.110 3.942 1.00 1.76 N ATOM 1378 CA PHE A 86 -10.935 15.322 5.389 1.00 2.21 C ATOM 1379 C PHE A 86 -9.924 16.318 6.004 1.00 2.19 C ATOM 1380 O PHE A 86 -10.094 16.702 7.164 1.00 2.70 O ATOM 1381 CB PHE A 86 -10.837 13.963 6.104 1.00 2.59 C ATOM 1382 CG PHE A 86 -11.861 12.932 5.665 1.00 2.99 C ATOM 1383 CD1 PHE A 86 -13.237 13.162 5.868 1.00 3.44 C ATOM 1384 CD2 PHE A 86 -11.444 11.742 5.042 1.00 3.85 C ATOM 1385 CE1 PHE A 86 -14.184 12.214 5.441 1.00 4.18 C ATOM 1386 CE2 PHE A 86 -12.390 10.797 4.610 1.00 4.72 C ATOM 1387 CZ PHE A 86 -13.760 11.032 4.808 1.00 4.70 C ATOM 0 H PHE A 86 -10.643 14.133 3.687 1.00 1.76 H new ATOM 0 HA PHE A 86 -11.913 15.780 5.535 1.00 2.21 H new ATOM 0 HB2 PHE A 86 -9.840 13.555 5.941 1.00 2.59 H new ATOM 0 HB3 PHE A 86 -10.944 14.125 7.177 1.00 2.59 H new ATOM 0 HD1 PHE A 86 -13.565 14.069 6.353 1.00 3.44 H new ATOM 0 HD2 PHE A 86 -10.391 11.553 4.895 1.00 3.85 H new ATOM 0 HE1 PHE A 86 -15.237 12.394 5.599 1.00 4.18 H new ATOM 0 HE2 PHE A 86 -12.063 9.889 4.125 1.00 4.72 H new ATOM 0 HZ PHE A 86 -14.487 10.306 4.475 1.00 4.70 H new ATOM 1397 N PHE A 87 -8.876 16.734 5.278 1.00 1.81 N ATOM 1398 CA PHE A 87 -7.844 17.676 5.732 1.00 2.04 C ATOM 1399 C PHE A 87 -7.760 18.952 4.876 1.00 1.93 C ATOM 1400 O PHE A 87 -6.810 19.714 5.026 1.00 2.27 O ATOM 1401 CB PHE A 87 -6.480 16.962 5.763 1.00 2.13 C ATOM 1402 CG PHE A 87 -6.477 15.618 6.470 1.00 2.43 C ATOM 1403 CD1 PHE A 87 -7.041 15.476 7.753 1.00 3.34 C ATOM 1404 CD2 PHE A 87 -5.951 14.491 5.816 1.00 2.66 C ATOM 1405 CE1 PHE A 87 -7.116 14.207 8.354 1.00 3.90 C ATOM 1406 CE2 PHE A 87 -6.028 13.224 6.415 1.00 3.22 C ATOM 1407 CZ PHE A 87 -6.622 13.079 7.681 1.00 3.64 C ATOM 0 H PHE A 87 -8.719 16.411 4.323 1.00 1.81 H new ATOM 0 HA PHE A 87 -8.126 18.002 6.733 1.00 2.04 H new ATOM 0 HB2 PHE A 87 -6.139 16.818 4.738 1.00 2.13 H new ATOM 0 HB3 PHE A 87 -5.756 17.614 6.251 1.00 2.13 H new ATOM 0 HD1 PHE A 87 -7.416 16.343 8.276 1.00 3.34 H new ATOM 0 HD2 PHE A 87 -5.485 14.600 4.848 1.00 2.66 H new ATOM 0 HE1 PHE A 87 -7.555 14.100 9.335 1.00 3.90 H new ATOM 0 HE2 PHE A 87 -5.631 12.360 5.903 1.00 3.22 H new ATOM 0 HZ PHE A 87 -6.698 12.102 8.135 1.00 3.64 H new ATOM 1417 N LEU A 88 -8.720 19.207 3.980 1.00 1.65 N ATOM 1418 CA LEU A 88 -8.748 20.398 3.113 1.00 1.63 C ATOM 1419 C LEU A 88 -9.481 21.557 3.829 1.00 2.13 C ATOM 1420 O LEU A 88 -9.723 21.487 5.037 1.00 2.66 O ATOM 1421 CB LEU A 88 -9.385 19.973 1.763 1.00 1.47 C ATOM 1422 CG LEU A 88 -8.484 19.194 0.766 1.00 2.02 C ATOM 1423 CD1 LEU A 88 -7.754 20.136 -0.191 1.00 2.56 C ATOM 1424 CD2 LEU A 88 -7.404 18.290 1.381 1.00 2.68 C ATOM 0 H LEU A 88 -9.514 18.584 3.832 1.00 1.65 H new ATOM 0 HA LEU A 88 -7.750 20.782 2.904 1.00 1.63 H new ATOM 0 HB2 LEU A 88 -10.258 19.358 1.980 1.00 1.47 H new ATOM 0 HB3 LEU A 88 -9.745 20.872 1.262 1.00 1.47 H new ATOM 0 HG LEU A 88 -9.209 18.554 0.263 1.00 2.02 H new ATOM 0 HD11 LEU A 88 -7.134 19.554 -0.873 1.00 2.56 H new ATOM 0 HD12 LEU A 88 -8.483 20.709 -0.764 1.00 2.56 H new ATOM 0 HD13 LEU A 88 -7.124 20.818 0.380 1.00 2.56 H new ATOM 0 HD21 LEU A 88 -6.842 17.801 0.585 1.00 2.68 H new ATOM 0 HD22 LEU A 88 -6.727 18.892 1.986 1.00 2.68 H new ATOM 0 HD23 LEU A 88 -7.876 17.534 2.009 1.00 2.68 H new ATOM 1517 N GLU B 2 -10.990 0.764 8.626 1.00 2.33 N ATOM 1518 CA GLU B 2 -10.551 0.115 9.876 1.00 1.66 C ATOM 1519 C GLU B 2 -10.247 -1.378 9.755 1.00 1.64 C ATOM 1520 O GLU B 2 -11.021 -2.266 10.113 1.00 2.48 O ATOM 1521 CB GLU B 2 -11.496 0.412 11.050 1.00 2.12 C ATOM 1522 CG GLU B 2 -11.506 1.904 11.397 1.00 3.27 C ATOM 1523 CD GLU B 2 -10.170 2.408 11.943 1.00 4.04 C ATOM 1524 OE1 GLU B 2 -9.295 2.746 11.119 1.00 4.75 O ATOM 1525 OE2 GLU B 2 -9.978 2.529 13.172 1.00 4.80 O ATOM 0 HA GLU B 2 -9.589 0.578 10.095 1.00 1.66 H new ATOM 0 HB2 GLU B 2 -12.506 0.089 10.797 1.00 2.12 H new ATOM 0 HB3 GLU B 2 -11.187 -0.164 11.922 1.00 2.12 H new ATOM 0 HG2 GLU B 2 -11.765 2.475 10.506 1.00 3.27 H new ATOM 0 HG3 GLU B 2 -12.286 2.093 12.134 1.00 3.27 H new ATOM 1532 N THR B 3 -9.016 -1.561 9.306 1.00 1.17 N ATOM 1533 CA THR B 3 -8.207 -2.783 9.172 1.00 1.23 C ATOM 1534 C THR B 3 -6.758 -2.412 9.564 1.00 1.22 C ATOM 1535 O THR B 3 -6.468 -1.215 9.676 1.00 1.28 O ATOM 1536 CB THR B 3 -8.348 -3.343 7.745 1.00 1.54 C ATOM 1537 OG1 THR B 3 -7.959 -2.374 6.821 1.00 1.76 O ATOM 1538 CG2 THR B 3 -9.773 -3.741 7.387 1.00 2.01 C ATOM 0 H THR B 3 -8.482 -0.754 8.982 1.00 1.17 H new ATOM 0 HA THR B 3 -8.542 -3.583 9.832 1.00 1.23 H new ATOM 0 HB THR B 3 -7.718 -4.232 7.713 1.00 1.54 H new ATOM 0 HG1 THR B 3 -6.981 -2.318 6.798 1.00 1.76 H new ATOM 0 HG21 THR B 3 -9.798 -4.127 6.368 1.00 2.01 H new ATOM 0 HG22 THR B 3 -10.119 -4.512 8.075 1.00 2.01 H new ATOM 0 HG23 THR B 3 -10.424 -2.870 7.461 1.00 2.01 H new ATOM 1546 N PRO B 4 -5.834 -3.358 9.838 1.00 1.24 N ATOM 1547 CA PRO B 4 -4.647 -3.048 10.641 1.00 1.22 C ATOM 1548 C PRO B 4 -3.718 -2.017 9.987 1.00 1.02 C ATOM 1549 O PRO B 4 -3.195 -1.151 10.686 1.00 1.09 O ATOM 1550 CB PRO B 4 -3.943 -4.385 10.897 1.00 1.40 C ATOM 1551 CG PRO B 4 -4.462 -5.299 9.788 1.00 1.45 C ATOM 1552 CD PRO B 4 -5.881 -4.786 9.550 1.00 1.37 C ATOM 0 HA PRO B 4 -4.943 -2.571 11.575 1.00 1.22 H new ATOM 0 HB2 PRO B 4 -2.859 -4.280 10.852 1.00 1.40 H new ATOM 0 HB3 PRO B 4 -4.184 -4.780 11.884 1.00 1.40 H new ATOM 0 HG2 PRO B 4 -3.851 -5.227 8.888 1.00 1.45 H new ATOM 0 HG3 PRO B 4 -4.458 -6.345 10.093 1.00 1.45 H new ATOM 0 HD2 PRO B 4 -6.197 -4.969 8.523 1.00 1.37 H new ATOM 0 HD3 PRO B 4 -6.595 -5.293 10.198 1.00 1.37 H new ATOM 1560 N LEU B 5 -3.556 -2.063 8.658 1.00 0.89 N ATOM 1561 CA LEU B 5 -2.652 -1.168 7.935 1.00 0.79 C ATOM 1562 C LEU B 5 -3.143 0.288 7.894 1.00 0.68 C ATOM 1563 O LEU B 5 -2.311 1.186 7.773 1.00 0.75 O ATOM 1564 CB LEU B 5 -2.383 -1.773 6.549 1.00 0.85 C ATOM 1565 CG LEU B 5 -1.375 -1.024 5.659 1.00 0.92 C ATOM 1566 CD1 LEU B 5 -0.013 -0.798 6.334 1.00 1.48 C ATOM 1567 CD2 LEU B 5 -1.195 -1.841 4.374 1.00 1.62 C ATOM 0 H LEU B 5 -4.049 -2.723 8.057 1.00 0.89 H new ATOM 0 HA LEU B 5 -1.707 -1.096 8.474 1.00 0.79 H new ATOM 0 HB2 LEU B 5 -2.026 -2.794 6.685 1.00 0.85 H new ATOM 0 HB3 LEU B 5 -3.331 -1.836 6.014 1.00 0.85 H new ATOM 0 HG LEU B 5 -1.772 -0.030 5.455 1.00 0.92 H new ATOM 0 HD11 LEU B 5 0.648 -0.265 5.650 1.00 1.48 H new ATOM 0 HD12 LEU B 5 -0.150 -0.208 7.240 1.00 1.48 H new ATOM 0 HD13 LEU B 5 0.430 -1.760 6.591 1.00 1.48 H new ATOM 0 HD21 LEU B 5 -0.485 -1.337 3.719 1.00 1.62 H new ATOM 0 HD22 LEU B 5 -0.818 -2.833 4.623 1.00 1.62 H new ATOM 0 HD23 LEU B 5 -2.154 -1.935 3.865 1.00 1.62 H new ATOM 1579 N GLU B 6 -4.444 0.551 8.084 1.00 0.69 N ATOM 1580 CA GLU B 6 -4.934 1.924 8.272 1.00 0.74 C ATOM 1581 C GLU B 6 -4.219 2.620 9.423 1.00 0.77 C ATOM 1582 O GLU B 6 -3.842 3.784 9.313 1.00 0.87 O ATOM 1583 CB GLU B 6 -6.443 1.911 8.549 1.00 1.03 C ATOM 1584 CG GLU B 6 -7.058 3.268 8.908 1.00 1.38 C ATOM 1585 CD GLU B 6 -6.829 4.326 7.843 1.00 2.10 C ATOM 1586 OE1 GLU B 6 -7.473 4.164 6.782 1.00 2.69 O ATOM 1587 OE2 GLU B 6 -6.023 5.252 8.093 1.00 3.23 O ATOM 0 H GLU B 6 -5.171 -0.164 8.111 1.00 0.69 H new ATOM 0 HA GLU B 6 -4.729 2.475 7.354 1.00 0.74 H new ATOM 0 HB2 GLU B 6 -6.953 1.522 7.668 1.00 1.03 H new ATOM 0 HB3 GLU B 6 -6.639 1.215 9.365 1.00 1.03 H new ATOM 0 HG2 GLU B 6 -8.130 3.145 9.065 1.00 1.38 H new ATOM 0 HG3 GLU B 6 -6.636 3.613 9.852 1.00 1.38 H new ATOM 1594 N LYS B 7 -3.972 1.927 10.536 1.00 0.79 N ATOM 1595 CA LYS B 7 -3.460 2.628 11.713 1.00 0.85 C ATOM 1596 C LYS B 7 -2.039 3.194 11.495 1.00 0.84 C ATOM 1597 O LYS B 7 -1.645 4.135 12.187 1.00 0.99 O ATOM 1598 CB LYS B 7 -3.628 1.779 12.979 1.00 0.98 C ATOM 1599 CG LYS B 7 -5.020 1.133 13.189 1.00 1.22 C ATOM 1600 CD LYS B 7 -6.286 1.917 12.774 1.00 1.94 C ATOM 1601 CE LYS B 7 -6.406 3.346 13.322 1.00 2.73 C ATOM 1602 NZ LYS B 7 -7.670 3.969 12.862 1.00 3.66 N ATOM 0 H LYS B 7 -4.111 0.923 10.647 1.00 0.79 H new ATOM 0 HA LYS B 7 -4.072 3.515 11.873 1.00 0.85 H new ATOM 0 HB2 LYS B 7 -2.881 0.985 12.961 1.00 0.98 H new ATOM 0 HB3 LYS B 7 -3.407 2.405 13.843 1.00 0.98 H new ATOM 0 HG2 LYS B 7 -5.028 0.187 12.647 1.00 1.22 H new ATOM 0 HG3 LYS B 7 -5.114 0.894 14.248 1.00 1.22 H new ATOM 0 HD2 LYS B 7 -6.319 1.963 11.685 1.00 1.94 H new ATOM 0 HD3 LYS B 7 -7.160 1.352 13.096 1.00 1.94 H new ATOM 0 HE2 LYS B 7 -6.377 3.329 14.411 1.00 2.73 H new ATOM 0 HE3 LYS B 7 -5.557 3.943 12.990 1.00 2.73 H new ATOM 0 HZ1 LYS B 7 -7.539 4.997 12.777 1.00 3.66 H new ATOM 0 HZ2 LYS B 7 -7.934 3.576 11.936 1.00 3.66 H new ATOM 0 HZ3 LYS B 7 -8.425 3.771 13.550 1.00 3.66 H new ATOM 1616 N ALA B 8 -1.320 2.715 10.472 1.00 0.75 N ATOM 1617 CA ALA B 8 -0.098 3.339 9.963 1.00 0.75 C ATOM 1618 C ALA B 8 -0.354 4.658 9.215 1.00 0.61 C ATOM 1619 O ALA B 8 0.291 5.658 9.532 1.00 0.64 O ATOM 1620 CB ALA B 8 0.616 2.343 9.045 1.00 0.89 C ATOM 0 H ALA B 8 -1.578 1.867 9.967 1.00 0.75 H new ATOM 0 HA ALA B 8 0.524 3.594 10.821 1.00 0.75 H new ATOM 0 HB1 ALA B 8 1.529 2.795 8.658 1.00 0.89 H new ATOM 0 HB2 ALA B 8 0.866 1.444 9.608 1.00 0.89 H new ATOM 0 HB3 ALA B 8 -0.039 2.080 8.214 1.00 0.89 H new ATOM 1626 N LEU B 9 -1.296 4.686 8.260 1.00 0.56 N ATOM 1627 CA LEU B 9 -1.665 5.890 7.495 1.00 0.55 C ATOM 1628 C LEU B 9 -2.266 6.948 8.418 1.00 0.50 C ATOM 1629 O LEU B 9 -1.767 8.076 8.426 1.00 0.49 O ATOM 1630 CB LEU B 9 -2.650 5.550 6.353 1.00 0.60 C ATOM 1631 CG LEU B 9 -2.051 4.977 5.053 1.00 0.62 C ATOM 1632 CD1 LEU B 9 -1.084 5.968 4.379 1.00 0.76 C ATOM 1633 CD2 LEU B 9 -1.352 3.632 5.278 1.00 0.61 C ATOM 0 H LEU B 9 -1.832 3.860 7.992 1.00 0.56 H new ATOM 0 HA LEU B 9 -0.756 6.291 7.047 1.00 0.55 H new ATOM 0 HB2 LEU B 9 -3.376 4.832 6.735 1.00 0.60 H new ATOM 0 HB3 LEU B 9 -3.200 6.456 6.101 1.00 0.60 H new ATOM 0 HG LEU B 9 -2.895 4.810 4.383 1.00 0.62 H new ATOM 0 HD11 LEU B 9 -0.685 5.524 3.467 1.00 0.76 H new ATOM 0 HD12 LEU B 9 -1.617 6.886 4.132 1.00 0.76 H new ATOM 0 HD13 LEU B 9 -0.264 6.196 5.060 1.00 0.76 H new ATOM 0 HD21 LEU B 9 -0.947 3.270 4.333 1.00 0.61 H new ATOM 0 HD22 LEU B 9 -0.541 3.759 5.996 1.00 0.61 H new ATOM 0 HD23 LEU B 9 -2.070 2.909 5.666 1.00 0.61 H new ATOM 1645 N THR B 10 -3.260 6.565 9.234 1.00 0.51 N ATOM 1646 CA THR B 10 -3.837 7.380 10.318 1.00 0.52 C ATOM 1647 C THR B 10 -2.736 8.073 11.124 1.00 0.48 C ATOM 1648 O THR B 10 -2.796 9.291 11.280 1.00 0.50 O ATOM 1649 CB THR B 10 -4.708 6.501 11.226 1.00 0.72 C ATOM 1650 OG1 THR B 10 -5.900 6.103 10.593 1.00 0.99 O ATOM 1651 CG2 THR B 10 -5.156 7.216 12.505 1.00 1.34 C ATOM 0 H THR B 10 -3.700 5.648 9.156 1.00 0.51 H new ATOM 0 HA THR B 10 -4.463 8.155 9.877 1.00 0.52 H new ATOM 0 HB THR B 10 -4.066 5.652 11.458 1.00 0.72 H new ATOM 0 HG1 THR B 10 -5.686 5.611 9.773 1.00 0.99 H new ATOM 0 HG21 THR B 10 -5.768 6.541 13.104 1.00 1.34 H new ATOM 0 HG22 THR B 10 -4.280 7.517 13.079 1.00 1.34 H new ATOM 0 HG23 THR B 10 -5.739 8.099 12.243 1.00 1.34 H new ATOM 1659 N THR B 11 -1.712 7.340 11.585 1.00 0.50 N ATOM 1660 CA THR B 11 -0.554 7.922 12.298 1.00 0.55 C ATOM 1661 C THR B 11 0.169 8.939 11.429 1.00 0.56 C ATOM 1662 O THR B 11 0.272 10.085 11.850 1.00 0.67 O ATOM 1663 CB THR B 11 0.404 6.837 12.799 1.00 0.67 C ATOM 1664 OG1 THR B 11 -0.288 5.928 13.623 1.00 0.78 O ATOM 1665 CG2 THR B 11 1.532 7.428 13.650 1.00 0.83 C ATOM 0 H THR B 11 -1.659 6.327 11.477 1.00 0.50 H new ATOM 0 HA THR B 11 -0.938 8.444 13.174 1.00 0.55 H new ATOM 0 HB THR B 11 0.817 6.350 11.916 1.00 0.67 H new ATOM 0 HG1 THR B 11 -0.560 5.149 13.094 1.00 0.78 H new ATOM 0 HG21 THR B 11 2.191 6.628 13.987 1.00 0.83 H new ATOM 0 HG22 THR B 11 2.102 8.141 13.054 1.00 0.83 H new ATOM 0 HG23 THR B 11 1.107 7.937 14.515 1.00 0.83 H new ATOM 1673 N MET B 12 0.579 8.564 10.210 1.00 0.55 N ATOM 1674 CA MET B 12 1.322 9.450 9.302 1.00 0.59 C ATOM 1675 C MET B 12 0.575 10.738 8.937 1.00 0.64 C ATOM 1676 O MET B 12 1.214 11.783 8.823 1.00 0.86 O ATOM 1677 CB MET B 12 1.699 8.707 8.011 1.00 0.62 C ATOM 1678 CG MET B 12 2.843 7.716 8.214 1.00 0.69 C ATOM 1679 SD MET B 12 3.275 6.870 6.672 1.00 0.92 S ATOM 1680 CE MET B 12 5.046 6.637 6.929 1.00 0.76 C ATOM 0 H MET B 12 0.405 7.636 9.824 1.00 0.55 H new ATOM 0 HA MET B 12 2.215 9.744 9.853 1.00 0.59 H new ATOM 0 HB2 MET B 12 0.825 8.175 7.635 1.00 0.62 H new ATOM 0 HB3 MET B 12 1.983 9.433 7.249 1.00 0.62 H new ATOM 0 HG2 MET B 12 3.717 8.242 8.598 1.00 0.69 H new ATOM 0 HG3 MET B 12 2.558 6.980 8.966 1.00 0.69 H new ATOM 0 HE1 MET B 12 5.438 5.961 6.169 1.00 0.76 H new ATOM 0 HE2 MET B 12 5.554 7.599 6.857 1.00 0.76 H new ATOM 0 HE3 MET B 12 5.217 6.210 7.917 1.00 0.76 H new ATOM 1690 N VAL B 13 -0.748 10.683 8.754 1.00 0.55 N ATOM 1691 CA VAL B 13 -1.568 11.886 8.501 1.00 0.61 C ATOM 1692 C VAL B 13 -1.754 12.735 9.769 1.00 0.59 C ATOM 1693 O VAL B 13 -1.744 13.966 9.680 1.00 0.67 O ATOM 1694 CB VAL B 13 -2.934 11.592 7.828 1.00 0.66 C ATOM 1695 CG1 VAL B 13 -2.756 10.920 6.453 1.00 0.74 C ATOM 1696 CG2 VAL B 13 -3.911 10.772 8.674 1.00 0.64 C ATOM 0 H VAL B 13 -1.283 9.815 8.775 1.00 0.55 H new ATOM 0 HA VAL B 13 -0.994 12.466 7.779 1.00 0.61 H new ATOM 0 HB VAL B 13 -3.385 12.577 7.709 1.00 0.66 H new ATOM 0 HG11 VAL B 13 -3.734 10.729 6.012 1.00 0.74 H new ATOM 0 HG12 VAL B 13 -2.185 11.578 5.798 1.00 0.74 H new ATOM 0 HG13 VAL B 13 -2.223 9.977 6.575 1.00 0.74 H new ATOM 0 HG21 VAL B 13 -4.835 10.620 8.117 1.00 0.64 H new ATOM 0 HG22 VAL B 13 -3.466 9.805 8.909 1.00 0.64 H new ATOM 0 HG23 VAL B 13 -4.128 11.306 9.599 1.00 0.64 H new ATOM 1706 N THR B 14 -1.861 12.093 10.947 1.00 0.55 N ATOM 1707 CA THR B 14 -2.007 12.749 12.260 1.00 0.59 C ATOM 1708 C THR B 14 -0.742 13.524 12.631 1.00 0.59 C ATOM 1709 O THR B 14 -0.847 14.677 13.048 1.00 0.75 O ATOM 1710 CB THR B 14 -2.354 11.717 13.348 1.00 0.62 C ATOM 1711 OG1 THR B 14 -3.592 11.123 13.045 1.00 0.87 O ATOM 1712 CG2 THR B 14 -2.509 12.337 14.735 1.00 0.91 C ATOM 0 H THR B 14 -1.848 11.075 11.014 1.00 0.55 H new ATOM 0 HA THR B 14 -2.828 13.462 12.191 1.00 0.59 H new ATOM 0 HB THR B 14 -1.530 11.004 13.363 1.00 0.62 H new ATOM 0 HG1 THR B 14 -3.445 10.312 12.515 1.00 0.87 H new ATOM 0 HG21 THR B 14 -2.753 11.558 15.457 1.00 0.91 H new ATOM 0 HG22 THR B 14 -1.575 12.820 15.024 1.00 0.91 H new ATOM 0 HG23 THR B 14 -3.309 13.077 14.715 1.00 0.91 H new ATOM 1720 N THR B 15 0.439 12.928 12.435 1.00 0.54 N ATOM 1721 CA THR B 15 1.734 13.568 12.694 1.00 0.59 C ATOM 1722 C THR B 15 2.043 14.645 11.667 1.00 0.63 C ATOM 1723 O THR B 15 2.323 15.769 12.067 1.00 0.78 O ATOM 1724 CB THR B 15 2.860 12.543 12.721 1.00 0.67 C ATOM 1725 OG1 THR B 15 2.798 11.744 11.576 1.00 1.67 O ATOM 1726 CG2 THR B 15 2.792 11.636 13.944 1.00 1.14 C ATOM 0 H THR B 15 0.524 11.973 12.087 1.00 0.54 H new ATOM 0 HA THR B 15 1.663 14.039 13.675 1.00 0.59 H new ATOM 0 HB THR B 15 3.796 13.101 12.760 1.00 0.67 H new ATOM 0 HG1 THR B 15 3.704 11.590 11.235 1.00 1.67 H new ATOM 0 HG21 THR B 15 3.617 10.924 13.915 1.00 1.14 H new ATOM 0 HG22 THR B 15 2.865 12.239 14.849 1.00 1.14 H new ATOM 0 HG23 THR B 15 1.846 11.095 13.944 1.00 1.14 H new ATOM 1734 N PHE B 16 1.922 14.369 10.369 1.00 0.57 N ATOM 1735 CA PHE B 16 2.199 15.340 9.309 1.00 0.58 C ATOM 1736 C PHE B 16 1.309 16.587 9.428 1.00 0.59 C ATOM 1737 O PHE B 16 1.813 17.707 9.326 1.00 0.65 O ATOM 1738 CB PHE B 16 2.044 14.652 7.952 1.00 0.59 C ATOM 1739 CG PHE B 16 2.406 15.494 6.747 1.00 0.59 C ATOM 1740 CD1 PHE B 16 1.485 16.428 6.241 1.00 1.69 C ATOM 1741 CD2 PHE B 16 3.646 15.321 6.101 1.00 1.60 C ATOM 1742 CE1 PHE B 16 1.801 17.175 5.093 1.00 1.72 C ATOM 1743 CE2 PHE B 16 3.937 16.033 4.925 1.00 1.61 C ATOM 1744 CZ PHE B 16 3.011 16.960 4.416 1.00 0.67 C ATOM 0 H PHE B 16 1.626 13.457 10.020 1.00 0.57 H new ATOM 0 HA PHE B 16 3.224 15.696 9.410 1.00 0.58 H new ATOM 0 HB2 PHE B 16 2.664 13.756 7.946 1.00 0.59 H new ATOM 0 HB3 PHE B 16 1.010 14.325 7.847 1.00 0.59 H new ATOM 0 HD1 PHE B 16 0.535 16.571 6.734 1.00 1.69 H new ATOM 0 HD2 PHE B 16 4.376 14.639 6.511 1.00 1.60 H new ATOM 0 HE1 PHE B 16 1.108 17.919 4.730 1.00 1.72 H new ATOM 0 HE2 PHE B 16 4.873 15.868 4.412 1.00 1.61 H new ATOM 0 HZ PHE B 16 3.230 17.504 3.509 1.00 0.67 H new ATOM 1754 N HIS B 17 0.006 16.432 9.690 1.00 0.60 N ATOM 1755 CA HIS B 17 -0.905 17.568 9.911 1.00 0.60 C ATOM 1756 C HIS B 17 -0.512 18.435 11.133 1.00 0.62 C ATOM 1757 O HIS B 17 -0.847 19.615 11.191 1.00 0.80 O ATOM 1758 CB HIS B 17 -2.344 17.042 10.007 1.00 0.67 C ATOM 1759 CG HIS B 17 -3.420 18.106 9.963 1.00 1.02 C ATOM 1760 ND1 HIS B 17 -3.625 19.110 10.878 1.00 1.94 N ATOM 1761 CD2 HIS B 17 -4.400 18.231 9.015 1.00 1.37 C ATOM 1762 CE1 HIS B 17 -4.714 19.805 10.507 1.00 2.25 C ATOM 1763 NE2 HIS B 17 -5.225 19.304 9.370 1.00 1.83 N ATOM 0 H HIS B 17 -0.448 15.521 9.755 1.00 0.60 H new ATOM 0 HA HIS B 17 -0.826 18.242 9.058 1.00 0.60 H new ATOM 0 HB2 HIS B 17 -2.514 16.341 9.189 1.00 0.67 H new ATOM 0 HB3 HIS B 17 -2.448 16.480 10.935 1.00 0.67 H new ATOM 0 HD1 HIS B 17 -3.049 19.296 11.699 1.00 1.94 H new ATOM 0 HD2 HIS B 17 -4.517 17.607 8.141 1.00 1.37 H new ATOM 0 HE1 HIS B 17 -5.121 20.647 11.047 1.00 2.25 H new ATOM 1772 N LYS B 18 0.239 17.899 12.102 1.00 0.60 N ATOM 1773 CA LYS B 18 0.750 18.656 13.257 1.00 0.66 C ATOM 1774 C LYS B 18 1.940 19.592 12.921 1.00 0.69 C ATOM 1775 O LYS B 18 2.315 20.400 13.772 1.00 0.94 O ATOM 1776 CB LYS B 18 1.001 17.651 14.406 1.00 0.88 C ATOM 1777 CG LYS B 18 1.362 18.257 15.775 1.00 1.30 C ATOM 1778 CD LYS B 18 2.877 18.227 16.016 1.00 2.12 C ATOM 1779 CE LYS B 18 3.273 18.931 17.315 1.00 3.40 C ATOM 1780 NZ LYS B 18 4.747 19.092 17.388 1.00 4.64 N ATOM 0 H LYS B 18 0.514 16.917 12.109 1.00 0.60 H new ATOM 0 HA LYS B 18 0.002 19.376 13.589 1.00 0.66 H new ATOM 0 HB2 LYS B 18 0.107 17.040 14.527 1.00 0.88 H new ATOM 0 HB3 LYS B 18 1.807 16.981 14.105 1.00 0.88 H new ATOM 0 HG2 LYS B 18 1.004 19.285 15.826 1.00 1.30 H new ATOM 0 HG3 LYS B 18 0.855 17.703 16.565 1.00 1.30 H new ATOM 0 HD2 LYS B 18 3.217 17.192 16.048 1.00 2.12 H new ATOM 0 HD3 LYS B 18 3.385 18.703 15.178 1.00 2.12 H new ATOM 0 HE2 LYS B 18 2.791 19.907 17.368 1.00 3.40 H new ATOM 0 HE3 LYS B 18 2.921 18.354 18.170 1.00 3.40 H new ATOM 0 HZ1 LYS B 18 5.103 18.642 18.255 1.00 4.64 H new ATOM 0 HZ2 LYS B 18 5.187 18.643 16.559 1.00 4.64 H new ATOM 0 HZ3 LYS B 18 4.985 20.104 17.401 1.00 4.64 H new ATOM 1794 N TYR B 19 2.544 19.516 11.722 1.00 0.59 N ATOM 1795 CA TYR B 19 3.641 20.414 11.281 1.00 0.65 C ATOM 1796 C TYR B 19 3.413 21.085 9.907 1.00 0.82 C ATOM 1797 O TYR B 19 3.998 22.131 9.651 1.00 1.44 O ATOM 1798 CB TYR B 19 4.988 19.670 11.284 1.00 0.69 C ATOM 1799 CG TYR B 19 5.355 18.965 12.582 1.00 0.69 C ATOM 1800 CD1 TYR B 19 4.809 17.698 12.828 1.00 1.91 C ATOM 1801 CD2 TYR B 19 6.255 19.515 13.518 1.00 1.81 C ATOM 1802 CE1 TYR B 19 5.173 16.945 13.952 1.00 2.10 C ATOM 1803 CE2 TYR B 19 6.594 18.791 14.684 1.00 1.77 C ATOM 1804 CZ TYR B 19 6.060 17.500 14.896 1.00 1.00 C ATOM 1805 OH TYR B 19 6.339 16.807 16.031 1.00 1.25 O ATOM 0 H TYR B 19 2.286 18.823 11.019 1.00 0.59 H new ATOM 0 HA TYR B 19 3.655 21.224 12.011 1.00 0.65 H new ATOM 0 HB2 TYR B 19 4.975 18.931 10.483 1.00 0.69 H new ATOM 0 HB3 TYR B 19 5.776 20.384 11.046 1.00 0.69 H new ATOM 0 HD1 TYR B 19 4.089 17.292 12.133 1.00 1.91 H new ATOM 0 HD2 TYR B 19 6.686 20.490 13.344 1.00 1.81 H new ATOM 0 HE1 TYR B 19 4.778 15.950 14.093 1.00 2.10 H new ATOM 0 HE2 TYR B 19 7.262 19.225 15.413 1.00 1.77 H new ATOM 0 HH TYR B 19 6.967 17.320 16.581 1.00 1.25 H new ATOM 1815 N SER B 20 2.540 20.552 9.050 1.00 0.73 N ATOM 1816 CA SER B 20 1.998 21.270 7.875 1.00 0.76 C ATOM 1817 C SER B 20 0.882 22.249 8.283 1.00 0.92 C ATOM 1818 O SER B 20 0.980 23.451 8.038 1.00 1.52 O ATOM 1819 CB SER B 20 1.478 20.259 6.843 1.00 0.82 C ATOM 1820 OG SER B 20 0.640 19.267 7.427 1.00 1.29 O ATOM 0 H SER B 20 2.181 19.602 9.145 1.00 0.73 H new ATOM 0 HA SER B 20 2.802 21.855 7.429 1.00 0.76 H new ATOM 0 HB2 SER B 20 0.924 20.788 6.068 1.00 0.82 H new ATOM 0 HB3 SER B 20 2.324 19.774 6.355 1.00 0.82 H new ATOM 0 HG SER B 20 0.839 18.394 7.028 1.00 1.29 H new ATOM 1826 N GLY B 21 -0.123 21.757 9.023 1.00 0.92 N ATOM 1827 CA GLY B 21 -1.287 22.512 9.510 1.00 1.15 C ATOM 1828 C GLY B 21 -0.999 23.594 10.561 1.00 1.30 C ATOM 1829 O GLY B 21 -1.925 24.048 11.227 1.00 1.66 O ATOM 0 H GLY B 21 -0.147 20.779 9.311 1.00 0.92 H new ATOM 0 HA2 GLY B 21 -1.772 22.984 8.655 1.00 1.15 H new ATOM 0 HA3 GLY B 21 -2.002 21.806 9.932 1.00 1.15 H new ATOM 1832 N ARG B 22 0.261 24.031 10.669 1.00 1.40 N ATOM 1833 CA ARG B 22 0.651 25.337 11.208 1.00 1.65 C ATOM 1834 C ARG B 22 0.238 26.484 10.260 1.00 1.90 C ATOM 1835 O ARG B 22 -0.206 27.531 10.724 1.00 2.41 O ATOM 1836 CB ARG B 22 2.181 25.403 11.321 1.00 1.82 C ATOM 1837 CG ARG B 22 2.896 24.525 12.359 1.00 1.98 C ATOM 1838 CD ARG B 22 4.435 24.481 12.173 1.00 1.99 C ATOM 1839 NE ARG B 22 5.004 25.622 11.426 1.00 2.50 N ATOM 1840 CZ ARG B 22 6.241 25.732 10.953 1.00 3.51 C ATOM 1841 NH1 ARG B 22 7.244 25.020 11.427 1.00 4.23 N ATOM 1842 NH2 ARG B 22 6.485 26.553 9.956 1.00 4.59 N ATOM 0 H ARG B 22 1.060 23.469 10.375 1.00 1.40 H new ATOM 0 HA ARG B 22 0.159 25.449 12.174 1.00 1.65 H new ATOM 0 HB2 ARG B 22 2.593 25.155 10.343 1.00 1.82 H new ATOM 0 HB3 ARG B 22 2.450 26.439 11.527 1.00 1.82 H new ATOM 0 HG2 ARG B 22 2.669 24.898 13.358 1.00 1.98 H new ATOM 0 HG3 ARG B 22 2.501 23.511 12.300 1.00 1.98 H new ATOM 0 HD2 ARG B 22 4.904 24.439 13.156 1.00 1.99 H new ATOM 0 HD3 ARG B 22 4.698 23.559 11.655 1.00 1.99 H new ATOM 0 HE ARG B 22 4.380 26.410 11.255 1.00 2.50 H new ATOM 0 HH11 ARG B 22 7.085 24.355 12.184 1.00 4.23 H new ATOM 0 HH12 ARG B 22 8.179 25.134 11.037 1.00 4.23 H new ATOM 0 HH21 ARG B 22 5.727 27.101 9.550 1.00 4.59 H new ATOM 0 HH22 ARG B 22 7.432 26.642 9.589 1.00 4.59 H new ATOM 1856 N GLU B 23 0.420 26.293 8.948 1.00 1.77 N ATOM 1857 CA GLU B 23 0.282 27.323 7.908 1.00 2.14 C ATOM 1858 C GLU B 23 -0.799 26.947 6.863 1.00 2.22 C ATOM 1859 O GLU B 23 -1.521 25.961 7.006 1.00 2.96 O ATOM 1860 CB GLU B 23 1.679 27.586 7.283 1.00 2.57 C ATOM 1861 CG GLU B 23 2.532 28.598 8.076 1.00 3.29 C ATOM 1862 CD GLU B 23 3.793 27.991 8.693 1.00 3.90 C ATOM 1863 OE1 GLU B 23 3.716 27.453 9.815 1.00 4.48 O ATOM 1864 OE2 GLU B 23 4.881 28.064 8.089 1.00 4.69 O ATOM 0 H GLU B 23 0.677 25.383 8.566 1.00 1.77 H new ATOM 0 HA GLU B 23 -0.074 28.253 8.352 1.00 2.14 H new ATOM 0 HB2 GLU B 23 2.220 26.642 7.215 1.00 2.57 H new ATOM 0 HB3 GLU B 23 1.549 27.953 6.265 1.00 2.57 H new ATOM 0 HG2 GLU B 23 2.819 29.415 7.414 1.00 3.29 H new ATOM 0 HG3 GLU B 23 1.922 29.030 8.869 1.00 3.29 H new ATOM 1871 N GLY B 24 -0.926 27.742 5.788 1.00 2.44 N ATOM 1872 CA GLY B 24 -2.014 27.676 4.794 1.00 2.76 C ATOM 1873 C GLY B 24 -1.973 26.497 3.813 1.00 2.17 C ATOM 1874 O GLY B 24 -2.565 26.582 2.743 1.00 2.89 O ATOM 0 H GLY B 24 -0.250 28.476 5.578 1.00 2.44 H new ATOM 0 HA2 GLY B 24 -2.963 27.642 5.329 1.00 2.76 H new ATOM 0 HA3 GLY B 24 -2.006 28.601 4.217 1.00 2.76 H new ATOM 1877 N SER B 25 -1.300 25.406 4.168 1.00 1.66 N ATOM 1878 CA SER B 25 -1.336 24.125 3.458 1.00 1.38 C ATOM 1879 C SER B 25 -1.275 22.985 4.474 1.00 1.31 C ATOM 1880 O SER B 25 -0.283 22.801 5.174 1.00 1.76 O ATOM 1881 CB SER B 25 -0.168 23.982 2.475 1.00 1.81 C ATOM 1882 OG SER B 25 -0.226 22.720 1.820 1.00 2.67 O ATOM 0 H SER B 25 -0.692 25.386 4.987 1.00 1.66 H new ATOM 0 HA SER B 25 -2.264 24.086 2.887 1.00 1.38 H new ATOM 0 HB2 SER B 25 -0.204 24.784 1.738 1.00 1.81 H new ATOM 0 HB3 SER B 25 0.778 24.080 3.007 1.00 1.81 H new ATOM 0 HG SER B 25 0.587 22.589 1.289 1.00 2.67 H new ATOM 1888 N LYS B 26 -2.330 22.172 4.555 1.00 1.10 N ATOM 1889 CA LYS B 26 -2.357 21.034 5.491 1.00 1.03 C ATOM 1890 C LYS B 26 -1.819 19.734 4.845 1.00 0.99 C ATOM 1891 O LYS B 26 -1.873 18.664 5.458 1.00 1.13 O ATOM 1892 CB LYS B 26 -3.762 20.944 6.117 1.00 1.12 C ATOM 1893 CG LYS B 26 -4.218 22.324 6.654 1.00 1.47 C ATOM 1894 CD LYS B 26 -5.244 22.276 7.789 1.00 1.98 C ATOM 1895 CE LYS B 26 -6.495 21.455 7.465 1.00 2.27 C ATOM 1896 NZ LYS B 26 -7.375 22.145 6.496 1.00 2.15 N ATOM 0 H LYS B 26 -3.173 22.275 3.991 1.00 1.10 H new ATOM 0 HA LYS B 26 -1.661 21.194 6.314 1.00 1.03 H new ATOM 0 HB2 LYS B 26 -4.474 20.586 5.373 1.00 1.12 H new ATOM 0 HB3 LYS B 26 -3.757 20.217 6.929 1.00 1.12 H new ATOM 0 HG2 LYS B 26 -3.340 22.868 7.002 1.00 1.47 H new ATOM 0 HG3 LYS B 26 -4.641 22.896 5.828 1.00 1.47 H new ATOM 0 HD2 LYS B 26 -4.769 21.859 8.677 1.00 1.98 H new ATOM 0 HD3 LYS B 26 -5.544 23.294 8.036 1.00 1.98 H new ATOM 0 HE2 LYS B 26 -6.199 20.487 7.060 1.00 2.27 H new ATOM 0 HE3 LYS B 26 -7.049 21.261 8.383 1.00 2.27 H new ATOM 0 HZ1 LYS B 26 -8.128 21.497 6.188 1.00 2.15 H new ATOM 0 HZ2 LYS B 26 -7.800 22.980 6.947 1.00 2.15 H new ATOM 0 HZ3 LYS B 26 -6.816 22.444 5.671 1.00 2.15 H new ATOM 1910 N LEU B 27 -1.295 19.835 3.608 1.00 1.00 N ATOM 1911 CA LEU B 27 -0.757 18.735 2.789 1.00 1.04 C ATOM 1912 C LEU B 27 0.699 18.952 2.307 1.00 0.94 C ATOM 1913 O LEU B 27 1.315 17.970 1.887 1.00 0.95 O ATOM 1914 CB LEU B 27 -1.682 18.493 1.576 1.00 1.31 C ATOM 1915 CG LEU B 27 -3.128 18.029 1.869 1.00 1.69 C ATOM 1916 CD1 LEU B 27 -3.815 17.699 0.537 1.00 1.98 C ATOM 1917 CD2 LEU B 27 -3.217 16.778 2.756 1.00 2.53 C ATOM 0 H LEU B 27 -1.233 20.734 3.130 1.00 1.00 H new ATOM 0 HA LEU B 27 -0.728 17.859 3.437 1.00 1.04 H new ATOM 0 HB2 LEU B 27 -1.734 19.418 1.002 1.00 1.31 H new ATOM 0 HB3 LEU B 27 -1.211 17.747 0.936 1.00 1.31 H new ATOM 0 HG LEU B 27 -3.609 18.846 2.407 1.00 1.69 H new ATOM 0 HD11 LEU B 27 -4.837 17.370 0.726 1.00 1.98 H new ATOM 0 HD12 LEU B 27 -3.831 18.588 -0.094 1.00 1.98 H new ATOM 0 HD13 LEU B 27 -3.266 16.905 0.031 1.00 1.98 H new ATOM 0 HD21 LEU B 27 -4.264 16.518 2.914 1.00 2.53 H new ATOM 0 HD22 LEU B 27 -2.707 15.948 2.267 1.00 2.53 H new ATOM 0 HD23 LEU B 27 -2.744 16.979 3.717 1.00 2.53 H new ATOM 1929 N THR B 28 1.258 20.170 2.384 1.00 0.95 N ATOM 1930 CA THR B 28 2.681 20.470 2.135 1.00 0.88 C ATOM 1931 C THR B 28 3.297 21.173 3.343 1.00 0.88 C ATOM 1932 O THR B 28 2.578 21.610 4.236 1.00 0.96 O ATOM 1933 CB THR B 28 2.920 21.269 0.835 1.00 0.90 C ATOM 1934 OG1 THR B 28 2.259 22.521 0.835 1.00 1.09 O ATOM 1935 CG2 THR B 28 2.441 20.509 -0.399 1.00 0.89 C ATOM 0 H THR B 28 0.718 21.000 2.629 1.00 0.95 H new ATOM 0 HA THR B 28 3.183 19.514 1.989 1.00 0.88 H new ATOM 0 HB THR B 28 3.999 21.420 0.797 1.00 0.90 H new ATOM 0 HG1 THR B 28 2.865 23.211 0.493 1.00 1.09 H new ATOM 0 HG21 THR B 28 2.628 21.108 -1.290 1.00 0.89 H new ATOM 0 HG22 THR B 28 2.979 19.564 -0.476 1.00 0.89 H new ATOM 0 HG23 THR B 28 1.373 20.311 -0.313 1.00 0.89 H new ATOM 1943 N LEU B 29 4.629 21.253 3.390 1.00 0.82 N ATOM 1944 CA LEU B 29 5.448 21.908 4.432 1.00 0.78 C ATOM 1945 C LEU B 29 6.879 22.140 3.908 1.00 0.76 C ATOM 1946 O LEU B 29 7.223 21.595 2.866 1.00 0.78 O ATOM 1947 CB LEU B 29 5.356 21.127 5.771 1.00 0.74 C ATOM 1948 CG LEU B 29 6.141 19.801 5.929 1.00 0.66 C ATOM 1949 CD1 LEU B 29 5.654 19.064 7.190 1.00 0.93 C ATOM 1950 CD2 LEU B 29 5.995 18.834 4.752 1.00 0.77 C ATOM 0 H LEU B 29 5.208 20.839 2.659 1.00 0.82 H new ATOM 0 HA LEU B 29 5.055 22.899 4.659 1.00 0.78 H new ATOM 0 HB2 LEU B 29 5.683 21.798 6.565 1.00 0.74 H new ATOM 0 HB3 LEU B 29 4.303 20.908 5.951 1.00 0.74 H new ATOM 0 HG LEU B 29 7.190 20.092 5.989 1.00 0.66 H new ATOM 0 HD11 LEU B 29 6.206 18.131 7.302 1.00 0.93 H new ATOM 0 HD12 LEU B 29 5.821 19.692 8.065 1.00 0.93 H new ATOM 0 HD13 LEU B 29 4.590 18.847 7.097 1.00 0.93 H new ATOM 0 HD21 LEU B 29 6.577 17.933 4.947 1.00 0.77 H new ATOM 0 HD22 LEU B 29 4.945 18.568 4.628 1.00 0.77 H new ATOM 0 HD23 LEU B 29 6.359 19.311 3.842 1.00 0.77 H new ATOM 1962 N SER B 30 7.734 22.943 4.539 1.00 0.82 N ATOM 1963 CA SER B 30 9.092 23.171 4.011 1.00 0.89 C ATOM 1964 C SER B 30 10.047 21.978 4.232 1.00 0.85 C ATOM 1965 O SER B 30 9.783 21.090 5.058 1.00 0.90 O ATOM 1966 CB SER B 30 9.693 24.445 4.611 1.00 1.07 C ATOM 1967 OG SER B 30 10.096 24.194 5.941 1.00 1.59 O ATOM 0 H SER B 30 7.523 23.443 5.403 1.00 0.82 H new ATOM 0 HA SER B 30 8.983 23.286 2.933 1.00 0.89 H new ATOM 0 HB2 SER B 30 10.546 24.772 4.017 1.00 1.07 H new ATOM 0 HB3 SER B 30 8.960 25.252 4.588 1.00 1.07 H new ATOM 0 HG SER B 30 9.495 24.661 6.559 1.00 1.59 H new ATOM 1973 N ARG B 31 11.227 21.996 3.592 1.00 0.88 N ATOM 1974 CA ARG B 31 12.281 21.039 3.950 1.00 0.82 C ATOM 1975 C ARG B 31 12.765 21.227 5.413 1.00 0.68 C ATOM 1976 O ARG B 31 13.181 20.254 6.043 1.00 0.77 O ATOM 1977 CB ARG B 31 13.464 21.013 2.958 1.00 1.15 C ATOM 1978 CG ARG B 31 13.412 21.670 1.562 1.00 1.30 C ATOM 1979 CD ARG B 31 12.585 21.026 0.441 1.00 1.29 C ATOM 1980 NE ARG B 31 13.107 19.741 -0.062 1.00 1.73 N ATOM 1981 CZ ARG B 31 12.498 18.942 -0.947 1.00 2.28 C ATOM 1982 NH1 ARG B 31 11.409 19.263 -1.611 1.00 2.82 N ATOM 1983 NH2 ARG B 31 12.944 17.727 -1.143 1.00 2.87 N ATOM 0 H ARG B 31 11.470 22.645 2.844 1.00 0.88 H new ATOM 0 HA ARG B 31 11.814 20.057 3.877 1.00 0.82 H new ATOM 0 HB2 ARG B 31 14.312 21.460 3.478 1.00 1.15 H new ATOM 0 HB3 ARG B 31 13.707 19.963 2.796 1.00 1.15 H new ATOM 0 HG2 ARG B 31 13.041 22.686 1.696 1.00 1.30 H new ATOM 0 HG3 ARG B 31 14.438 21.750 1.203 1.00 1.30 H new ATOM 0 HD2 ARG B 31 11.569 20.871 0.803 1.00 1.29 H new ATOM 0 HD3 ARG B 31 12.523 21.726 -0.392 1.00 1.29 H new ATOM 0 HE ARG B 31 14.012 19.434 0.296 1.00 1.73 H new ATOM 0 HH11 ARG B 31 10.973 20.174 -1.466 1.00 2.82 H new ATOM 0 HH12 ARG B 31 11.000 18.601 -2.271 1.00 2.82 H new ATOM 0 HH21 ARG B 31 13.754 17.391 -0.622 1.00 2.87 H new ATOM 0 HH22 ARG B 31 12.482 17.116 -1.817 1.00 2.87 H new ATOM 1997 N LYS B 32 12.681 22.441 5.987 1.00 0.67 N ATOM 1998 CA LYS B 32 12.876 22.668 7.435 1.00 0.74 C ATOM 1999 C LYS B 32 11.815 21.946 8.291 1.00 0.77 C ATOM 2000 O LYS B 32 12.179 21.284 9.264 1.00 0.93 O ATOM 2001 CB LYS B 32 12.906 24.167 7.764 1.00 0.97 C ATOM 2002 CG LYS B 32 14.187 24.832 7.261 1.00 1.47 C ATOM 2003 CD LYS B 32 14.199 26.293 7.714 1.00 2.32 C ATOM 2004 CE LYS B 32 15.545 26.961 7.427 1.00 3.10 C ATOM 2005 NZ LYS B 32 15.736 27.260 5.988 1.00 4.40 N ATOM 0 H LYS B 32 12.477 23.292 5.463 1.00 0.67 H new ATOM 0 HA LYS B 32 13.845 22.238 7.689 1.00 0.74 H new ATOM 0 HB2 LYS B 32 12.042 24.655 7.314 1.00 0.97 H new ATOM 0 HB3 LYS B 32 12.824 24.304 8.842 1.00 0.97 H new ATOM 0 HG2 LYS B 32 15.061 24.310 7.651 1.00 1.47 H new ATOM 0 HG3 LYS B 32 14.240 24.774 6.174 1.00 1.47 H new ATOM 0 HD2 LYS B 32 13.405 26.839 7.204 1.00 2.32 H new ATOM 0 HD3 LYS B 32 13.987 26.345 8.782 1.00 2.32 H new ATOM 0 HE2 LYS B 32 15.617 27.886 7.999 1.00 3.10 H new ATOM 0 HE3 LYS B 32 16.350 26.311 7.769 1.00 3.10 H new ATOM 0 HZ1 LYS B 32 16.746 27.420 5.798 1.00 4.40 H new ATOM 0 HZ2 LYS B 32 15.400 26.457 5.419 1.00 4.40 H new ATOM 0 HZ3 LYS B 32 15.197 28.113 5.736 1.00 4.40 H new ATOM 2019 N GLU B 33 10.542 21.992 7.897 1.00 0.79 N ATOM 2020 CA GLU B 33 9.456 21.333 8.632 1.00 0.96 C ATOM 2021 C GLU B 33 9.547 19.807 8.589 1.00 0.85 C ATOM 2022 O GLU B 33 9.380 19.187 9.639 1.00 0.90 O ATOM 2023 CB GLU B 33 8.081 21.771 8.110 1.00 1.25 C ATOM 2024 CG GLU B 33 7.510 22.991 8.822 1.00 1.48 C ATOM 2025 CD GLU B 33 8.435 24.184 8.678 1.00 2.70 C ATOM 2026 OE1 GLU B 33 8.387 24.831 7.613 1.00 4.09 O ATOM 2027 OE2 GLU B 33 9.220 24.432 9.616 1.00 3.00 O ATOM 0 H GLU B 33 10.232 22.486 7.060 1.00 0.79 H new ATOM 0 HA GLU B 33 9.571 21.647 9.669 1.00 0.96 H new ATOM 0 HB2 GLU B 33 8.160 21.988 7.045 1.00 1.25 H new ATOM 0 HB3 GLU B 33 7.382 20.941 8.215 1.00 1.25 H new ATOM 0 HG2 GLU B 33 6.531 23.233 8.409 1.00 1.48 H new ATOM 0 HG3 GLU B 33 7.363 22.765 9.878 1.00 1.48 H new ATOM 2034 N LEU B 34 9.847 19.185 7.439 1.00 0.78 N ATOM 2035 CA LEU B 34 10.021 17.724 7.380 1.00 0.71 C ATOM 2036 C LEU B 34 11.134 17.260 8.333 1.00 0.59 C ATOM 2037 O LEU B 34 10.985 16.255 9.029 1.00 0.60 O ATOM 2038 CB LEU B 34 10.308 17.274 5.933 1.00 0.77 C ATOM 2039 CG LEU B 34 10.527 15.746 5.799 1.00 0.80 C ATOM 2040 CD1 LEU B 34 9.267 14.963 6.181 1.00 1.06 C ATOM 2041 CD2 LEU B 34 10.944 15.314 4.387 1.00 1.15 C ATOM 0 H LEU B 34 9.973 19.663 6.547 1.00 0.78 H new ATOM 0 HA LEU B 34 9.092 17.257 7.706 1.00 0.71 H new ATOM 0 HB2 LEU B 34 9.476 17.572 5.295 1.00 0.77 H new ATOM 0 HB3 LEU B 34 11.193 17.794 5.567 1.00 0.77 H new ATOM 0 HG LEU B 34 11.341 15.518 6.487 1.00 0.80 H new ATOM 0 HD11 LEU B 34 9.456 13.895 6.075 1.00 1.06 H new ATOM 0 HD12 LEU B 34 9.001 15.184 7.215 1.00 1.06 H new ATOM 0 HD13 LEU B 34 8.446 15.252 5.525 1.00 1.06 H new ATOM 0 HD21 LEU B 34 11.081 14.233 4.363 1.00 1.15 H new ATOM 0 HD22 LEU B 34 10.168 15.598 3.676 1.00 1.15 H new ATOM 0 HD23 LEU B 34 11.880 15.804 4.118 1.00 1.15 H new ATOM 2053 N LYS B 35 12.240 18.012 8.395 1.00 0.60 N ATOM 2054 CA LYS B 35 13.322 17.744 9.341 1.00 0.68 C ATOM 2055 C LYS B 35 12.845 17.797 10.805 1.00 0.82 C ATOM 2056 O LYS B 35 13.272 16.958 11.598 1.00 0.96 O ATOM 2057 CB LYS B 35 14.481 18.718 9.055 1.00 0.86 C ATOM 2058 CG LYS B 35 15.450 18.818 10.240 1.00 1.31 C ATOM 2059 CD LYS B 35 16.658 19.696 9.937 1.00 1.30 C ATOM 2060 CE LYS B 35 17.638 18.953 9.026 1.00 1.90 C ATOM 2061 NZ LYS B 35 18.926 19.670 8.960 1.00 2.68 N ATOM 0 H LYS B 35 12.406 18.818 7.793 1.00 0.60 H new ATOM 0 HA LYS B 35 13.679 16.724 9.200 1.00 0.68 H new ATOM 0 HB2 LYS B 35 15.023 18.387 8.169 1.00 0.86 H new ATOM 0 HB3 LYS B 35 14.078 19.706 8.831 1.00 0.86 H new ATOM 0 HG2 LYS B 35 14.921 19.220 11.104 1.00 1.31 H new ATOM 0 HG3 LYS B 35 15.791 17.819 10.511 1.00 1.31 H new ATOM 0 HD2 LYS B 35 16.334 20.620 9.458 1.00 1.30 H new ATOM 0 HD3 LYS B 35 17.155 19.976 10.866 1.00 1.30 H new ATOM 0 HE2 LYS B 35 17.797 17.942 9.400 1.00 1.90 H new ATOM 0 HE3 LYS B 35 17.215 18.860 8.026 1.00 1.90 H new ATOM 0 HZ1 LYS B 35 19.596 19.127 8.379 1.00 2.68 H new ATOM 0 HZ2 LYS B 35 18.780 20.608 8.535 1.00 2.68 H new ATOM 0 HZ3 LYS B 35 19.311 19.781 9.920 1.00 2.68 H new ATOM 2075 N GLU B 36 11.997 18.758 11.171 1.00 0.84 N ATOM 2076 CA GLU B 36 11.458 18.883 12.528 1.00 0.96 C ATOM 2077 C GLU B 36 10.521 17.711 12.845 1.00 0.90 C ATOM 2078 O GLU B 36 10.703 17.040 13.863 1.00 0.98 O ATOM 2079 CB GLU B 36 10.753 20.246 12.654 1.00 1.15 C ATOM 2080 CG GLU B 36 10.054 20.483 14.001 1.00 1.76 C ATOM 2081 CD GLU B 36 10.976 20.615 15.205 1.00 2.19 C ATOM 2082 OE1 GLU B 36 12.216 20.480 15.098 1.00 2.44 O ATOM 2083 OE2 GLU B 36 10.414 20.724 16.316 1.00 3.31 O ATOM 0 H GLU B 36 11.661 19.478 10.531 1.00 0.84 H new ATOM 0 HA GLU B 36 12.264 18.842 13.261 1.00 0.96 H new ATOM 0 HB2 GLU B 36 11.487 21.036 12.497 1.00 1.15 H new ATOM 0 HB3 GLU B 36 10.015 20.334 11.856 1.00 1.15 H new ATOM 0 HG2 GLU B 36 9.454 21.390 13.924 1.00 1.76 H new ATOM 0 HG3 GLU B 36 9.364 19.659 14.182 1.00 1.76 H new ATOM 2090 N LEU B 37 9.569 17.437 11.943 1.00 0.84 N ATOM 2091 CA LEU B 37 8.597 16.347 12.013 1.00 0.87 C ATOM 2092 C LEU B 37 9.296 15.023 12.360 1.00 0.82 C ATOM 2093 O LEU B 37 9.045 14.459 13.429 1.00 0.83 O ATOM 2094 CB LEU B 37 7.825 16.358 10.668 1.00 0.84 C ATOM 2095 CG LEU B 37 6.939 15.142 10.327 1.00 0.92 C ATOM 2096 CD1 LEU B 37 5.785 14.910 11.303 1.00 1.17 C ATOM 2097 CD2 LEU B 37 6.305 15.321 8.940 1.00 1.35 C ATOM 0 H LEU B 37 9.453 18.002 11.102 1.00 0.84 H new ATOM 0 HA LEU B 37 7.872 16.474 12.817 1.00 0.87 H new ATOM 0 HB2 LEU B 37 7.192 17.245 10.654 1.00 0.84 H new ATOM 0 HB3 LEU B 37 8.554 16.474 9.866 1.00 0.84 H new ATOM 0 HG LEU B 37 7.613 14.287 10.377 1.00 0.92 H new ATOM 0 HD11 LEU B 37 5.213 14.036 10.989 1.00 1.17 H new ATOM 0 HD12 LEU B 37 6.183 14.743 12.304 1.00 1.17 H new ATOM 0 HD13 LEU B 37 5.135 15.785 11.312 1.00 1.17 H new ATOM 0 HD21 LEU B 37 5.682 14.457 8.710 1.00 1.35 H new ATOM 0 HD22 LEU B 37 5.692 16.222 8.934 1.00 1.35 H new ATOM 0 HD23 LEU B 37 7.091 15.412 8.190 1.00 1.35 H new ATOM 2109 N ILE B 38 10.249 14.585 11.530 1.00 0.80 N ATOM 2110 CA ILE B 38 10.880 13.261 11.674 1.00 0.89 C ATOM 2111 C ILE B 38 11.663 13.117 12.992 1.00 0.97 C ATOM 2112 O ILE B 38 11.518 12.110 13.678 1.00 1.31 O ATOM 2113 CB ILE B 38 11.721 12.940 10.413 1.00 0.88 C ATOM 2114 CG1 ILE B 38 10.767 12.797 9.202 1.00 1.27 C ATOM 2115 CG2 ILE B 38 12.577 11.669 10.618 1.00 1.20 C ATOM 2116 CD1 ILE B 38 11.464 12.499 7.872 1.00 1.49 C ATOM 0 H ILE B 38 10.605 15.130 10.745 1.00 0.80 H new ATOM 0 HA ILE B 38 10.095 12.508 11.744 1.00 0.89 H new ATOM 0 HB ILE B 38 12.419 13.756 10.224 1.00 0.88 H new ATOM 0 HG12 ILE B 38 10.054 11.999 9.410 1.00 1.27 H new ATOM 0 HG13 ILE B 38 10.193 13.718 9.098 1.00 1.27 H new ATOM 0 HG21 ILE B 38 13.155 11.470 9.716 1.00 1.20 H new ATOM 0 HG22 ILE B 38 13.255 11.819 11.458 1.00 1.20 H new ATOM 0 HG23 ILE B 38 11.925 10.821 10.825 1.00 1.20 H new ATOM 0 HD11 ILE B 38 10.718 12.415 7.081 1.00 1.49 H new ATOM 0 HD12 ILE B 38 12.156 13.307 7.635 1.00 1.49 H new ATOM 0 HD13 ILE B 38 12.015 11.562 7.952 1.00 1.49 H new ATOM 2128 N LYS B 39 12.446 14.121 13.414 1.00 0.84 N ATOM 2129 CA LYS B 39 13.215 14.095 14.666 1.00 0.92 C ATOM 2130 C LYS B 39 12.359 14.213 15.946 1.00 0.99 C ATOM 2131 O LYS B 39 12.896 14.136 17.051 1.00 1.10 O ATOM 2132 CB LYS B 39 14.274 15.211 14.577 1.00 1.04 C ATOM 2133 CG LYS B 39 15.496 14.840 13.719 1.00 1.35 C ATOM 2134 CD LYS B 39 16.542 13.960 14.437 1.00 1.35 C ATOM 2135 CE LYS B 39 17.748 13.730 13.504 1.00 2.37 C ATOM 2136 NZ LYS B 39 18.912 13.113 14.190 1.00 2.89 N ATOM 0 H LYS B 39 12.564 14.986 12.887 1.00 0.84 H new ATOM 0 HA LYS B 39 13.682 13.115 14.763 1.00 0.92 H new ATOM 0 HB2 LYS B 39 13.810 16.107 14.164 1.00 1.04 H new ATOM 0 HB3 LYS B 39 14.611 15.461 15.583 1.00 1.04 H new ATOM 0 HG2 LYS B 39 15.152 14.317 12.827 1.00 1.35 H new ATOM 0 HG3 LYS B 39 15.980 15.757 13.384 1.00 1.35 H new ATOM 0 HD2 LYS B 39 16.868 14.443 15.358 1.00 1.35 H new ATOM 0 HD3 LYS B 39 16.098 13.005 14.718 1.00 1.35 H new ATOM 0 HE2 LYS B 39 17.442 13.090 12.677 1.00 2.37 H new ATOM 0 HE3 LYS B 39 18.053 14.684 13.073 1.00 2.37 H new ATOM 0 HZ1 LYS B 39 19.574 12.739 13.481 1.00 2.89 H new ATOM 0 HZ2 LYS B 39 19.394 13.830 14.769 1.00 2.89 H new ATOM 0 HZ3 LYS B 39 18.584 12.338 14.801 1.00 2.89 H new ATOM 2150 N LYS B 40 11.047 14.452 15.826 1.00 1.01 N ATOM 2151 CA LYS B 40 10.064 14.341 16.909 1.00 1.20 C ATOM 2152 C LYS B 40 9.181 13.088 16.793 1.00 1.32 C ATOM 2153 O LYS B 40 8.673 12.611 17.804 1.00 1.60 O ATOM 2154 CB LYS B 40 9.184 15.597 16.887 1.00 1.20 C ATOM 2155 CG LYS B 40 9.747 16.770 17.680 1.00 1.48 C ATOM 2156 CD LYS B 40 10.967 17.462 17.077 1.00 1.51 C ATOM 2157 CE LYS B 40 11.356 18.592 18.022 1.00 1.65 C ATOM 2158 NZ LYS B 40 12.551 19.322 17.547 1.00 2.13 N ATOM 0 H LYS B 40 10.627 14.738 14.941 1.00 1.01 H new ATOM 0 HA LYS B 40 10.607 14.251 17.850 1.00 1.20 H new ATOM 0 HB2 LYS B 40 9.041 15.908 15.852 1.00 1.20 H new ATOM 0 HB3 LYS B 40 8.200 15.344 17.283 1.00 1.20 H new ATOM 0 HG2 LYS B 40 8.958 17.511 17.804 1.00 1.48 H new ATOM 0 HG3 LYS B 40 10.011 16.416 18.677 1.00 1.48 H new ATOM 0 HD2 LYS B 40 11.790 16.757 16.960 1.00 1.51 H new ATOM 0 HD3 LYS B 40 10.737 17.852 16.085 1.00 1.51 H new ATOM 0 HE2 LYS B 40 10.522 19.287 18.120 1.00 1.65 H new ATOM 0 HE3 LYS B 40 11.550 18.185 19.014 1.00 1.65 H new ATOM 0 HZ1 LYS B 40 12.527 20.298 17.905 1.00 2.13 H new ATOM 0 HZ2 LYS B 40 13.409 18.847 17.894 1.00 2.13 H new ATOM 0 HZ3 LYS B 40 12.559 19.335 16.507 1.00 2.13 H new ATOM 2172 N GLU B 41 8.977 12.583 15.580 1.00 1.24 N ATOM 2173 CA GLU B 41 8.286 11.318 15.304 1.00 1.46 C ATOM 2174 C GLU B 41 9.125 10.083 15.654 1.00 1.26 C ATOM 2175 O GLU B 41 8.573 9.060 16.068 1.00 1.48 O ATOM 2176 CB GLU B 41 7.968 11.241 13.815 1.00 1.92 C ATOM 2177 CG GLU B 41 6.757 12.067 13.403 1.00 1.95 C ATOM 2178 CD GLU B 41 6.398 11.710 11.971 1.00 3.60 C ATOM 2179 OE1 GLU B 41 7.230 11.998 11.086 1.00 4.71 O ATOM 2180 OE2 GLU B 41 5.309 11.128 11.778 1.00 4.36 O ATOM 0 H GLU B 41 9.296 13.054 14.733 1.00 1.24 H new ATOM 0 HA GLU B 41 7.390 11.311 15.924 1.00 1.46 H new ATOM 0 HB2 GLU B 41 8.836 11.579 13.249 1.00 1.92 H new ATOM 0 HB3 GLU B 41 7.796 10.200 13.543 1.00 1.92 H new ATOM 0 HG2 GLU B 41 5.916 11.864 14.067 1.00 1.95 H new ATOM 0 HG3 GLU B 41 6.978 13.131 13.485 1.00 1.95 H new ATOM 2187 N LEU B 42 10.443 10.166 15.489 1.00 1.05 N ATOM 2188 CA LEU B 42 11.409 9.138 15.860 1.00 1.05 C ATOM 2189 C LEU B 42 12.555 9.757 16.652 1.00 0.98 C ATOM 2190 O LEU B 42 13.047 10.842 16.337 1.00 1.11 O ATOM 2191 CB LEU B 42 11.957 8.446 14.596 1.00 1.32 C ATOM 2192 CG LEU B 42 11.124 7.219 14.186 1.00 1.24 C ATOM 2193 CD1 LEU B 42 11.403 6.851 12.720 1.00 1.62 C ATOM 2194 CD2 LEU B 42 11.438 6.007 15.076 1.00 2.21 C ATOM 0 H LEU B 42 10.885 10.987 15.075 1.00 1.05 H new ATOM 0 HA LEU B 42 10.910 8.395 16.482 1.00 1.05 H new ATOM 0 HB2 LEU B 42 11.974 9.161 13.773 1.00 1.32 H new ATOM 0 HB3 LEU B 42 12.988 8.139 14.772 1.00 1.32 H new ATOM 0 HG LEU B 42 10.073 7.481 14.308 1.00 1.24 H new ATOM 0 HD11 LEU B 42 10.807 5.981 12.443 1.00 1.62 H new ATOM 0 HD12 LEU B 42 11.139 7.691 12.077 1.00 1.62 H new ATOM 0 HD13 LEU B 42 12.461 6.619 12.598 1.00 1.62 H new ATOM 0 HD21 LEU B 42 10.833 5.157 14.760 1.00 2.21 H new ATOM 0 HD22 LEU B 42 12.494 5.754 14.986 1.00 2.21 H new ATOM 0 HD23 LEU B 42 11.210 6.249 16.114 1.00 2.21 H new ATOM 2206 N CYS B 43 13.034 8.998 17.628 1.00 1.17 N ATOM 2207 CA CYS B 43 14.360 9.233 18.190 1.00 1.29 C ATOM 2208 C CYS B 43 15.396 8.610 17.246 1.00 1.59 C ATOM 2209 O CYS B 43 15.216 7.469 16.812 1.00 2.65 O ATOM 2210 CB CYS B 43 14.424 8.695 19.623 1.00 1.58 C ATOM 2211 SG CYS B 43 15.586 9.706 20.580 1.00 2.79 S ATOM 0 H CYS B 43 12.528 8.217 18.047 1.00 1.17 H new ATOM 0 HA CYS B 43 14.582 10.297 18.266 1.00 1.29 H new ATOM 0 HB2 CYS B 43 13.435 8.723 20.080 1.00 1.58 H new ATOM 0 HB3 CYS B 43 14.745 7.653 19.620 1.00 1.58 H new ATOM 0 HG CYS B 43 16.801 9.309 20.346 1.00 2.79 H new ATOM 2217 N LEU B 44 16.413 9.401 16.899 1.00 2.00 N ATOM 2218 CA LEU B 44 17.550 9.035 16.059 1.00 2.55 C ATOM 2219 C LEU B 44 18.729 9.942 16.411 1.00 3.02 C ATOM 2220 O LEU B 44 18.812 11.087 15.959 1.00 4.26 O ATOM 2221 CB LEU B 44 17.194 9.105 14.560 1.00 3.07 C ATOM 2222 CG LEU B 44 16.858 7.739 13.932 1.00 2.85 C ATOM 2223 CD1 LEU B 44 16.369 7.995 12.505 1.00 3.71 C ATOM 2224 CD2 LEU B 44 18.074 6.796 13.877 1.00 3.57 C ATOM 0 H LEU B 44 16.466 10.369 17.216 1.00 2.00 H new ATOM 0 HA LEU B 44 17.827 7.999 16.253 1.00 2.55 H new ATOM 0 HB2 LEU B 44 16.342 9.773 14.430 1.00 3.07 H new ATOM 0 HB3 LEU B 44 18.031 9.547 14.018 1.00 3.07 H new ATOM 0 HG LEU B 44 16.101 7.254 14.548 1.00 2.85 H new ATOM 0 HD11 LEU B 44 16.122 7.046 12.029 1.00 3.71 H new ATOM 0 HD12 LEU B 44 15.483 8.629 12.532 1.00 3.71 H new ATOM 0 HD13 LEU B 44 17.154 8.493 11.935 1.00 3.71 H new ATOM 0 HD21 LEU B 44 17.780 5.849 13.425 1.00 3.57 H new ATOM 0 HD22 LEU B 44 18.862 7.253 13.279 1.00 3.57 H new ATOM 0 HD23 LEU B 44 18.442 6.617 14.887 1.00 3.57 H new ATOM 2236 N GLY B 45 19.607 9.404 17.242 1.00 2.67 N ATOM 2237 CA GLY B 45 20.821 10.021 17.806 1.00 3.12 C ATOM 2238 C GLY B 45 21.630 9.077 18.709 1.00 2.73 C ATOM 2239 O GLY B 45 22.381 9.540 19.562 1.00 3.52 O ATOM 0 H GLY B 45 19.489 8.446 17.573 1.00 2.67 H new ATOM 0 HA2 GLY B 45 21.457 10.363 16.990 1.00 3.12 H new ATOM 0 HA3 GLY B 45 20.537 10.903 18.379 1.00 3.12 H new ATOM 2242 N GLU B 46 21.429 7.770 18.541 1.00 2.23 N ATOM 2243 CA GLU B 46 21.754 6.702 19.498 1.00 2.47 C ATOM 2244 C GLU B 46 21.783 5.308 18.830 1.00 2.52 C ATOM 2245 O GLU B 46 22.520 4.418 19.260 1.00 3.45 O ATOM 2246 CB GLU B 46 20.763 6.758 20.681 1.00 2.92 C ATOM 2247 CG GLU B 46 19.311 6.342 20.379 1.00 2.99 C ATOM 2248 CD GLU B 46 18.658 7.152 19.256 1.00 3.33 C ATOM 2249 OE1 GLU B 46 18.075 8.221 19.525 1.00 4.04 O ATOM 2250 OE2 GLU B 46 18.848 6.779 18.076 1.00 3.93 O ATOM 0 H GLU B 46 21.011 7.403 17.686 1.00 2.23 H new ATOM 0 HA GLU B 46 22.763 6.868 19.877 1.00 2.47 H new ATOM 0 HB2 GLU B 46 21.144 6.117 21.476 1.00 2.92 H new ATOM 0 HB3 GLU B 46 20.753 7.776 21.070 1.00 2.92 H new ATOM 0 HG2 GLU B 46 19.294 5.286 20.110 1.00 2.99 H new ATOM 0 HG3 GLU B 46 18.716 6.450 21.286 1.00 2.99 H new ATOM 2257 N MET B 47 21.002 5.119 17.760 1.00 2.02 N ATOM 2258 CA MET B 47 21.046 3.978 16.845 1.00 2.30 C ATOM 2259 C MET B 47 21.960 4.285 15.638 1.00 1.84 C ATOM 2260 O MET B 47 22.959 4.994 15.738 1.00 2.11 O ATOM 2261 CB MET B 47 19.612 3.611 16.431 1.00 2.88 C ATOM 2262 CG MET B 47 18.723 3.249 17.625 1.00 3.40 C ATOM 2263 SD MET B 47 17.024 2.846 17.153 1.00 3.64 S ATOM 2264 CE MET B 47 16.586 4.480 16.518 1.00 2.76 C ATOM 0 H MET B 47 20.285 5.795 17.497 1.00 2.02 H new ATOM 0 HA MET B 47 21.481 3.112 17.343 1.00 2.30 H new ATOM 0 HB2 MET B 47 19.168 4.449 15.894 1.00 2.88 H new ATOM 0 HB3 MET B 47 19.643 2.770 15.739 1.00 2.88 H new ATOM 0 HG2 MET B 47 19.159 2.399 18.149 1.00 3.40 H new ATOM 0 HG3 MET B 47 18.710 4.083 18.326 1.00 3.40 H new ATOM 0 HE1 MET B 47 15.505 4.610 16.563 1.00 2.76 H new ATOM 0 HE2 MET B 47 17.069 5.247 17.123 1.00 2.76 H new ATOM 0 HE3 MET B 47 16.920 4.570 15.484 1.00 2.76 H new ATOM 2274 N LYS B 48 21.626 3.754 14.458 1.00 2.24 N ATOM 2275 CA LYS B 48 22.338 4.019 13.208 1.00 2.14 C ATOM 2276 C LYS B 48 22.359 5.529 12.856 1.00 2.10 C ATOM 2277 O LYS B 48 21.325 6.192 12.861 1.00 2.63 O ATOM 2278 CB LYS B 48 21.733 3.128 12.095 1.00 2.72 C ATOM 2279 CG LYS B 48 22.548 1.837 11.849 1.00 3.39 C ATOM 2280 CD LYS B 48 22.451 0.772 12.960 1.00 3.71 C ATOM 2281 CE LYS B 48 21.106 0.029 13.009 1.00 4.43 C ATOM 2282 NZ LYS B 48 21.040 -1.137 12.094 1.00 5.47 N ATOM 0 H LYS B 48 20.838 3.116 14.345 1.00 2.24 H new ATOM 0 HA LYS B 48 23.390 3.754 13.319 1.00 2.14 H new ATOM 0 HB2 LYS B 48 20.711 2.861 12.365 1.00 2.72 H new ATOM 0 HB3 LYS B 48 21.678 3.699 11.168 1.00 2.72 H new ATOM 0 HG2 LYS B 48 22.216 1.391 10.912 1.00 3.39 H new ATOM 0 HG3 LYS B 48 23.596 2.108 11.719 1.00 3.39 H new ATOM 0 HD2 LYS B 48 23.250 0.044 12.820 1.00 3.71 H new ATOM 0 HD3 LYS B 48 22.623 1.252 13.923 1.00 3.71 H new ATOM 0 HE2 LYS B 48 20.924 -0.309 14.029 1.00 4.43 H new ATOM 0 HE3 LYS B 48 20.306 0.725 12.756 1.00 4.43 H new ATOM 0 HZ1 LYS B 48 20.085 -1.207 11.689 1.00 5.47 H new ATOM 0 HZ2 LYS B 48 21.733 -1.017 11.328 1.00 5.47 H new ATOM 0 HZ3 LYS B 48 21.256 -2.006 12.623 1.00 5.47 H new ATOM 2296 N GLU B 49 23.550 6.046 12.553 1.00 2.07 N ATOM 2297 CA GLU B 49 23.864 7.467 12.400 1.00 2.29 C ATOM 2298 C GLU B 49 24.380 7.778 10.973 1.00 1.84 C ATOM 2299 O GLU B 49 24.641 6.867 10.184 1.00 2.49 O ATOM 2300 CB GLU B 49 24.927 7.791 13.479 1.00 3.21 C ATOM 2301 CG GLU B 49 24.757 9.129 14.203 1.00 4.05 C ATOM 2302 CD GLU B 49 24.820 10.299 13.233 1.00 4.85 C ATOM 2303 OE1 GLU B 49 25.928 10.596 12.735 1.00 5.49 O ATOM 2304 OE2 GLU B 49 23.735 10.733 12.792 1.00 5.41 O ATOM 0 H GLU B 49 24.365 5.453 12.399 1.00 2.07 H new ATOM 0 HA GLU B 49 22.976 8.086 12.532 1.00 2.29 H new ATOM 0 HB2 GLU B 49 24.917 6.994 14.222 1.00 3.21 H new ATOM 0 HB3 GLU B 49 25.910 7.776 13.009 1.00 3.21 H new ATOM 0 HG2 GLU B 49 23.802 9.141 14.728 1.00 4.05 H new ATOM 0 HG3 GLU B 49 25.537 9.238 14.957 1.00 4.05 H new ATOM 2311 N SER B 50 24.533 9.062 10.639 1.00 2.04 N ATOM 2312 CA SER B 50 25.486 9.646 9.685 1.00 2.06 C ATOM 2313 C SER B 50 25.000 9.523 8.241 1.00 2.01 C ATOM 2314 O SER B 50 24.707 10.523 7.593 1.00 3.17 O ATOM 2315 CB SER B 50 26.902 9.070 9.859 1.00 2.42 C ATOM 2316 OG SER B 50 27.384 9.100 11.195 1.00 3.29 O ATOM 0 H SER B 50 23.946 9.781 11.062 1.00 2.04 H new ATOM 0 HA SER B 50 25.544 10.710 9.913 1.00 2.06 H new ATOM 0 HB2 SER B 50 26.908 8.039 9.506 1.00 2.42 H new ATOM 0 HB3 SER B 50 27.590 9.629 9.224 1.00 2.42 H new ATOM 0 HG SER B 50 26.887 9.772 11.707 1.00 3.29 H new ATOM 2322 N SER B 51 24.743 8.301 7.781 1.00 1.54 N ATOM 2323 CA SER B 51 23.888 8.039 6.614 1.00 1.55 C ATOM 2324 C SER B 51 22.436 8.496 6.856 1.00 1.47 C ATOM 2325 O SER B 51 21.650 8.578 5.916 1.00 1.75 O ATOM 2326 CB SER B 51 23.875 6.536 6.303 1.00 1.84 C ATOM 2327 OG SER B 51 25.176 5.978 6.186 1.00 2.29 O ATOM 0 H SER B 51 25.122 7.455 8.207 1.00 1.54 H new ATOM 0 HA SER B 51 24.301 8.603 5.778 1.00 1.55 H new ATOM 0 HB2 SER B 51 23.332 6.013 7.090 1.00 1.84 H new ATOM 0 HB3 SER B 51 23.330 6.368 5.374 1.00 1.84 H new ATOM 0 HG SER B 51 25.105 5.020 5.990 1.00 2.29 H new ATOM 2333 N ILE B 52 22.077 8.793 8.113 1.00 1.42 N ATOM 2334 CA ILE B 52 20.805 9.446 8.460 1.00 1.50 C ATOM 2335 C ILE B 52 20.873 10.970 8.324 1.00 1.36 C ATOM 2336 O ILE B 52 19.811 11.585 8.203 1.00 1.61 O ATOM 2337 CB ILE B 52 20.263 8.984 9.839 1.00 1.75 C ATOM 2338 CG1 ILE B 52 20.947 9.611 11.076 1.00 2.09 C ATOM 2339 CG2 ILE B 52 20.339 7.447 9.947 1.00 2.05 C ATOM 2340 CD1 ILE B 52 20.310 10.920 11.565 1.00 1.99 C ATOM 0 H ILE B 52 22.663 8.586 8.922 1.00 1.42 H new ATOM 0 HA ILE B 52 20.073 9.115 7.723 1.00 1.50 H new ATOM 0 HB ILE B 52 19.234 9.343 9.862 1.00 1.75 H new ATOM 0 HG12 ILE B 52 20.929 8.887 11.891 1.00 2.09 H new ATOM 0 HG13 ILE B 52 21.994 9.798 10.840 1.00 2.09 H new ATOM 0 HG21 ILE B 52 19.957 7.131 10.918 1.00 2.05 H new ATOM 0 HG22 ILE B 52 19.739 6.997 9.157 1.00 2.05 H new ATOM 0 HG23 ILE B 52 21.375 7.126 9.843 1.00 2.05 H new ATOM 0 HD11 ILE B 52 20.855 11.287 12.435 1.00 1.99 H new ATOM 0 HD12 ILE B 52 20.352 11.664 10.770 1.00 1.99 H new ATOM 0 HD13 ILE B 52 19.270 10.739 11.838 1.00 1.99 H new ATOM 2352 N ASP B 53 22.064 11.587 8.330 1.00 1.14 N ATOM 2353 CA ASP B 53 22.178 13.018 8.071 1.00 1.14 C ATOM 2354 C ASP B 53 22.179 13.336 6.583 1.00 1.09 C ATOM 2355 O ASP B 53 21.472 14.272 6.279 1.00 1.35 O ATOM 2356 CB ASP B 53 23.339 13.743 8.768 1.00 1.50 C ATOM 2357 CG ASP B 53 23.230 15.267 8.522 1.00 2.09 C ATOM 2358 OD1 ASP B 53 22.284 15.927 9.022 1.00 2.95 O ATOM 2359 OD2 ASP B 53 24.042 15.830 7.753 1.00 2.72 O ATOM 0 H ASP B 53 22.951 11.117 8.510 1.00 1.14 H new ATOM 0 HA ASP B 53 21.275 13.417 8.532 1.00 1.14 H new ATOM 0 HB2 ASP B 53 23.319 13.536 9.838 1.00 1.50 H new ATOM 0 HB3 ASP B 53 24.291 13.372 8.389 1.00 1.50 H new ATOM 2364 N ASP B 54 22.841 12.642 5.637 1.00 1.00 N ATOM 2365 CA ASP B 54 22.790 13.135 4.231 1.00 1.04 C ATOM 2366 C ASP B 54 21.363 13.141 3.649 1.00 0.91 C ATOM 2367 O ASP B 54 21.034 13.960 2.788 1.00 1.02 O ATOM 2368 CB ASP B 54 23.760 12.461 3.251 1.00 1.29 C ATOM 2369 CG ASP B 54 23.921 13.254 1.919 1.00 1.64 C ATOM 2370 OD1 ASP B 54 23.745 14.506 1.874 1.00 2.60 O ATOM 2371 OD2 ASP B 54 24.199 12.601 0.895 1.00 1.94 O ATOM 0 H ASP B 54 23.385 11.794 5.794 1.00 1.00 H new ATOM 0 HA ASP B 54 23.139 14.163 4.329 1.00 1.04 H new ATOM 0 HB2 ASP B 54 24.735 12.356 3.726 1.00 1.29 H new ATOM 0 HB3 ASP B 54 23.404 11.455 3.029 1.00 1.29 H new ATOM 2376 N LEU B 55 20.472 12.305 4.186 1.00 0.84 N ATOM 2377 CA LEU B 55 19.029 12.422 3.945 1.00 0.87 C ATOM 2378 C LEU B 55 18.482 13.765 4.466 1.00 0.83 C ATOM 2379 O LEU B 55 17.911 14.538 3.702 1.00 0.83 O ATOM 2380 CB LEU B 55 18.283 11.212 4.546 1.00 0.92 C ATOM 2381 CG LEU B 55 18.739 9.829 4.038 1.00 1.02 C ATOM 2382 CD1 LEU B 55 17.810 8.747 4.610 1.00 1.02 C ATOM 2383 CD2 LEU B 55 18.762 9.743 2.505 1.00 1.09 C ATOM 0 H LEU B 55 20.727 11.530 4.798 1.00 0.84 H new ATOM 0 HA LEU B 55 18.854 12.413 2.869 1.00 0.87 H new ATOM 0 HB2 LEU B 55 18.399 11.238 5.629 1.00 0.92 H new ATOM 0 HB3 LEU B 55 17.219 11.323 4.337 1.00 0.92 H new ATOM 0 HG LEU B 55 19.762 9.671 4.381 1.00 1.02 H new ATOM 0 HD11 LEU B 55 18.129 7.768 4.253 1.00 1.02 H new ATOM 0 HD12 LEU B 55 17.854 8.768 5.699 1.00 1.02 H new ATOM 0 HD13 LEU B 55 16.787 8.936 4.284 1.00 1.02 H new ATOM 0 HD21 LEU B 55 19.090 8.749 2.201 1.00 1.09 H new ATOM 0 HD22 LEU B 55 17.761 9.930 2.115 1.00 1.09 H new ATOM 0 HD23 LEU B 55 19.451 10.489 2.109 1.00 1.09 H new ATOM 2395 N MET B 56 18.716 14.101 5.739 1.00 0.89 N ATOM 2396 CA MET B 56 18.310 15.382 6.356 1.00 0.98 C ATOM 2397 C MET B 56 19.024 16.604 5.760 1.00 1.03 C ATOM 2398 O MET B 56 18.477 17.704 5.698 1.00 1.14 O ATOM 2399 CB MET B 56 18.595 15.303 7.860 1.00 1.13 C ATOM 2400 CG MET B 56 17.692 14.283 8.539 1.00 1.24 C ATOM 2401 SD MET B 56 15.964 14.804 8.600 1.00 1.79 S ATOM 2402 CE MET B 56 15.570 14.056 10.184 1.00 1.95 C ATOM 0 H MET B 56 19.202 13.482 6.388 1.00 0.89 H new ATOM 0 HA MET B 56 17.248 15.522 6.154 1.00 0.98 H new ATOM 0 HB2 MET B 56 19.639 15.033 8.021 1.00 1.13 H new ATOM 0 HB3 MET B 56 18.446 16.283 8.313 1.00 1.13 H new ATOM 0 HG2 MET B 56 17.761 13.334 8.008 1.00 1.24 H new ATOM 0 HG3 MET B 56 18.049 14.108 9.554 1.00 1.24 H new ATOM 0 HE1 MET B 56 14.590 14.400 10.515 1.00 1.95 H new ATOM 0 HE2 MET B 56 15.558 12.971 10.081 1.00 1.95 H new ATOM 0 HE3 MET B 56 16.322 14.343 10.919 1.00 1.95 H new ATOM 2412 N LYS B 57 20.247 16.401 5.291 1.00 1.02 N ATOM 2413 CA LYS B 57 21.099 17.343 4.590 1.00 1.08 C ATOM 2414 C LYS B 57 20.570 17.606 3.191 1.00 1.03 C ATOM 2415 O LYS B 57 20.617 18.709 2.683 1.00 1.14 O ATOM 2416 CB LYS B 57 22.515 16.738 4.523 1.00 1.30 C ATOM 2417 CG LYS B 57 23.664 17.684 4.175 1.00 1.18 C ATOM 2418 CD LYS B 57 23.629 18.990 4.961 1.00 1.98 C ATOM 2419 CE LYS B 57 23.937 18.874 6.468 1.00 3.12 C ATOM 2420 NZ LYS B 57 22.862 18.221 7.255 1.00 4.39 N ATOM 0 H LYS B 57 20.704 15.496 5.402 1.00 1.02 H new ATOM 0 HA LYS B 57 21.118 18.296 5.118 1.00 1.08 H new ATOM 0 HB2 LYS B 57 22.734 16.282 5.489 1.00 1.30 H new ATOM 0 HB3 LYS B 57 22.504 15.934 3.787 1.00 1.30 H new ATOM 0 HG2 LYS B 57 24.611 17.179 4.365 1.00 1.18 H new ATOM 0 HG3 LYS B 57 23.630 17.909 3.109 1.00 1.18 H new ATOM 0 HD2 LYS B 57 24.345 19.680 4.515 1.00 1.98 H new ATOM 0 HD3 LYS B 57 22.641 19.436 4.844 1.00 1.98 H new ATOM 0 HE2 LYS B 57 24.861 18.311 6.597 1.00 3.12 H new ATOM 0 HE3 LYS B 57 24.113 19.872 6.870 1.00 3.12 H new ATOM 0 HZ1 LYS B 57 23.005 18.416 8.267 1.00 4.39 H new ATOM 0 HZ2 LYS B 57 21.938 18.595 6.958 1.00 4.39 H new ATOM 0 HZ3 LYS B 57 22.888 17.194 7.093 1.00 4.39 H new ATOM 2434 N SER B 58 20.037 16.576 2.576 1.00 0.92 N ATOM 2435 CA SER B 58 19.186 16.615 1.374 1.00 0.99 C ATOM 2436 C SER B 58 17.810 17.297 1.575 1.00 1.03 C ATOM 2437 O SER B 58 17.106 17.523 0.594 1.00 1.34 O ATOM 2438 CB SER B 58 19.108 15.242 0.701 1.00 0.99 C ATOM 2439 OG SER B 58 20.429 14.863 0.332 1.00 2.01 O ATOM 0 H SER B 58 20.185 15.623 2.909 1.00 0.92 H new ATOM 0 HA SER B 58 19.687 17.283 0.674 1.00 0.99 H new ATOM 0 HB2 SER B 58 18.676 14.508 1.380 1.00 0.99 H new ATOM 0 HB3 SER B 58 18.463 15.283 -0.177 1.00 0.99 H new ATOM 0 HG SER B 58 20.935 14.617 1.134 1.00 2.01 H new ATOM 2445 N LEU B 59 17.458 17.707 2.805 1.00 0.94 N ATOM 2446 CA LEU B 59 16.361 18.653 3.068 1.00 1.02 C ATOM 2447 C LEU B 59 16.961 20.054 3.204 1.00 1.07 C ATOM 2448 O LEU B 59 16.503 20.983 2.545 1.00 1.27 O ATOM 2449 CB LEU B 59 15.587 18.222 4.333 1.00 1.08 C ATOM 2450 CG LEU B 59 15.124 16.750 4.345 1.00 1.09 C ATOM 2451 CD1 LEU B 59 14.286 16.500 5.603 1.00 1.19 C ATOM 2452 CD2 LEU B 59 14.330 16.391 3.081 1.00 1.12 C ATOM 0 H LEU B 59 17.930 17.389 3.651 1.00 0.94 H new ATOM 0 HA LEU B 59 15.645 18.660 2.247 1.00 1.02 H new ATOM 0 HB2 LEU B 59 16.219 18.395 5.204 1.00 1.08 H new ATOM 0 HB3 LEU B 59 14.712 18.863 4.441 1.00 1.08 H new ATOM 0 HG LEU B 59 16.005 16.108 4.357 1.00 1.09 H new ATOM 0 HD11 LEU B 59 13.955 15.462 5.619 1.00 1.19 H new ATOM 0 HD12 LEU B 59 14.889 16.702 6.488 1.00 1.19 H new ATOM 0 HD13 LEU B 59 13.417 17.158 5.598 1.00 1.19 H new ATOM 0 HD21 LEU B 59 14.023 15.346 3.129 1.00 1.12 H new ATOM 0 HD22 LEU B 59 13.447 17.026 3.013 1.00 1.12 H new ATOM 0 HD23 LEU B 59 14.956 16.545 2.202 1.00 1.12 H new ATOM 2464 N ASP B 60 18.055 20.186 3.960 1.00 1.02 N ATOM 2465 CA ASP B 60 18.873 21.409 4.031 1.00 1.09 C ATOM 2466 C ASP B 60 19.278 21.964 2.637 1.00 1.05 C ATOM 2467 O ASP B 60 19.277 23.170 2.416 1.00 1.34 O ATOM 2468 CB ASP B 60 20.141 21.132 4.849 1.00 1.28 C ATOM 2469 CG ASP B 60 19.937 20.823 6.330 1.00 1.95 C ATOM 2470 OD1 ASP B 60 19.167 21.533 7.016 1.00 2.18 O ATOM 2471 OD2 ASP B 60 20.570 19.854 6.829 1.00 3.34 O ATOM 0 H ASP B 60 18.407 19.434 4.552 1.00 1.02 H new ATOM 0 HA ASP B 60 18.255 22.169 4.510 1.00 1.09 H new ATOM 0 HB2 ASP B 60 20.665 20.292 4.393 1.00 1.28 H new ATOM 0 HB3 ASP B 60 20.797 21.999 4.768 1.00 1.28 H new ATOM 2476 N LYS B 61 19.582 21.066 1.692 1.00 1.06 N ATOM 2477 CA LYS B 61 20.083 21.278 0.314 1.00 1.29 C ATOM 2478 C LYS B 61 19.252 22.316 -0.481 1.00 1.38 C ATOM 2479 O LYS B 61 19.789 23.010 -1.338 1.00 1.69 O ATOM 2480 CB LYS B 61 20.064 19.887 -0.384 1.00 1.50 C ATOM 2481 CG LYS B 61 21.260 19.393 -1.231 1.00 1.97 C ATOM 2482 CD LYS B 61 22.598 19.029 -0.534 1.00 2.69 C ATOM 2483 CE LYS B 61 22.662 17.857 0.483 1.00 4.06 C ATOM 2484 NZ LYS B 61 22.802 16.468 -0.049 1.00 5.12 N ATOM 0 H LYS B 61 19.475 20.070 1.886 1.00 1.06 H new ATOM 0 HA LYS B 61 21.090 21.694 0.350 1.00 1.29 H new ATOM 0 HB2 LYS B 61 19.899 19.143 0.396 1.00 1.50 H new ATOM 0 HB3 LYS B 61 19.188 19.869 -1.032 1.00 1.50 H new ATOM 0 HG2 LYS B 61 20.928 18.511 -1.780 1.00 1.97 H new ATOM 0 HG3 LYS B 61 21.477 20.165 -1.969 1.00 1.97 H new ATOM 0 HD2 LYS B 61 23.322 18.813 -1.320 1.00 2.69 H new ATOM 0 HD3 LYS B 61 22.945 19.923 -0.017 1.00 2.69 H new ATOM 0 HE2 LYS B 61 23.501 18.043 1.153 1.00 4.06 H new ATOM 0 HE3 LYS B 61 21.757 17.892 1.089 1.00 4.06 H new ATOM 0 HZ1 LYS B 61 23.472 15.936 0.542 1.00 5.12 H new ATOM 0 HZ2 LYS B 61 21.876 15.995 -0.033 1.00 5.12 H new ATOM 0 HZ3 LYS B 61 23.156 16.505 -1.026 1.00 5.12 H new ATOM 2498 N ASN B 62 17.954 22.422 -0.170 1.00 1.24 N ATOM 2499 CA ASN B 62 16.972 23.306 -0.806 1.00 1.50 C ATOM 2500 C ASN B 62 15.989 23.881 0.241 1.00 1.46 C ATOM 2501 O ASN B 62 14.791 24.000 -0.003 1.00 2.54 O ATOM 2502 CB ASN B 62 16.271 22.513 -1.928 1.00 1.82 C ATOM 2503 CG ASN B 62 17.175 22.393 -3.147 1.00 1.89 C ATOM 2504 OD1 ASN B 62 17.854 21.396 -3.350 1.00 2.21 O ATOM 2505 ND2 ASN B 62 17.227 23.435 -3.952 1.00 2.22 N ATOM 0 H ASN B 62 17.539 21.861 0.574 1.00 1.24 H new ATOM 0 HA ASN B 62 17.461 24.173 -1.251 1.00 1.50 H new ATOM 0 HB2 ASN B 62 16.005 21.520 -1.567 1.00 1.82 H new ATOM 0 HB3 ASN B 62 15.342 23.010 -2.206 1.00 1.82 H new ATOM 0 HD21 ASN B 62 17.843 23.421 -4.765 1.00 2.22 H new ATOM 0 HD22 ASN B 62 16.651 24.255 -3.762 1.00 2.22 H new ATOM 2512 N SER B 63 16.498 24.185 1.441 1.00 1.29 N ATOM 2513 CA SER B 63 15.763 24.133 2.724 1.00 1.11 C ATOM 2514 C SER B 63 14.432 24.875 2.860 1.00 1.05 C ATOM 2515 O SER B 63 13.650 24.544 3.749 1.00 1.19 O ATOM 2516 CB SER B 63 16.657 24.570 3.893 1.00 1.39 C ATOM 2517 OG SER B 63 17.241 25.862 3.803 1.00 1.72 O ATOM 0 H SER B 63 17.466 24.485 1.556 1.00 1.29 H new ATOM 0 HA SER B 63 15.489 23.078 2.746 1.00 1.11 H new ATOM 0 HB2 SER B 63 16.066 24.527 4.808 1.00 1.39 H new ATOM 0 HB3 SER B 63 17.460 23.840 3.998 1.00 1.39 H new ATOM 0 HG SER B 63 16.626 26.467 3.338 1.00 1.72 H new ATOM 2523 N ASP B 64 14.172 25.854 2.004 1.00 1.09 N ATOM 2524 CA ASP B 64 13.092 26.835 2.132 1.00 1.24 C ATOM 2525 C ASP B 64 12.063 26.638 1.019 1.00 1.30 C ATOM 2526 O ASP B 64 11.073 27.352 0.916 1.00 1.65 O ATOM 2527 CB ASP B 64 13.709 28.242 2.128 1.00 1.62 C ATOM 2528 CG ASP B 64 14.629 28.403 3.336 1.00 2.55 C ATOM 2529 OD1 ASP B 64 15.798 27.949 3.270 1.00 3.36 O ATOM 2530 OD2 ASP B 64 14.161 28.855 4.403 1.00 3.21 O ATOM 0 H ASP B 64 14.731 25.996 1.162 1.00 1.09 H new ATOM 0 HA ASP B 64 12.557 26.700 3.072 1.00 1.24 H new ATOM 0 HB2 ASP B 64 14.270 28.401 1.207 1.00 1.62 H new ATOM 0 HB3 ASP B 64 12.922 28.995 2.155 1.00 1.62 H new ATOM 2535 N GLN B 65 12.285 25.621 0.190 1.00 1.34 N ATOM 2536 CA GLN B 65 11.269 25.056 -0.668 1.00 1.24 C ATOM 2537 C GLN B 65 10.341 24.120 0.110 1.00 1.12 C ATOM 2538 O GLN B 65 10.690 23.596 1.172 1.00 1.14 O ATOM 2539 CB GLN B 65 11.962 24.261 -1.775 1.00 1.31 C ATOM 2540 CG GLN B 65 12.517 25.148 -2.898 1.00 1.97 C ATOM 2541 CD GLN B 65 13.412 24.376 -3.869 1.00 2.59 C ATOM 2542 OE1 GLN B 65 14.553 24.738 -4.108 1.00 3.22 O ATOM 2543 NE2 GLN B 65 12.960 23.274 -4.433 1.00 3.33 N ATOM 0 H GLN B 65 13.193 25.165 0.101 1.00 1.34 H new ATOM 0 HA GLN B 65 10.668 25.866 -1.081 1.00 1.24 H new ATOM 0 HB2 GLN B 65 12.777 23.681 -1.342 1.00 1.31 H new ATOM 0 HB3 GLN B 65 11.255 23.548 -2.199 1.00 1.31 H new ATOM 0 HG2 GLN B 65 11.688 25.592 -3.449 1.00 1.97 H new ATOM 0 HG3 GLN B 65 13.085 25.969 -2.460 1.00 1.97 H new ATOM 0 HE21 GLN B 65 12.009 22.957 -4.244 1.00 3.33 H new ATOM 0 HE22 GLN B 65 13.561 22.738 -5.059 1.00 3.33 H new ATOM 2552 N GLU B 66 9.180 23.864 -0.488 1.00 1.12 N ATOM 2553 CA GLU B 66 8.192 22.919 0.005 1.00 1.05 C ATOM 2554 C GLU B 66 8.557 21.449 -0.274 1.00 1.06 C ATOM 2555 O GLU B 66 9.461 21.144 -1.053 1.00 1.43 O ATOM 2556 CB GLU B 66 6.798 23.260 -0.554 1.00 1.16 C ATOM 2557 CG GLU B 66 6.284 24.619 -0.064 1.00 1.25 C ATOM 2558 CD GLU B 66 4.900 24.916 -0.640 1.00 1.49 C ATOM 2559 OE1 GLU B 66 3.921 24.350 -0.094 1.00 2.09 O ATOM 2560 OE2 GLU B 66 4.842 25.669 -1.638 1.00 2.36 O ATOM 0 H GLU B 66 8.896 24.324 -1.353 1.00 1.12 H new ATOM 0 HA GLU B 66 8.178 23.021 1.090 1.00 1.05 H new ATOM 0 HB2 GLU B 66 6.838 23.262 -1.643 1.00 1.16 H new ATOM 0 HB3 GLU B 66 6.093 22.482 -0.262 1.00 1.16 H new ATOM 0 HG2 GLU B 66 6.238 24.624 1.025 1.00 1.25 H new ATOM 0 HG3 GLU B 66 6.981 25.404 -0.358 1.00 1.25 H new ATOM 2567 N ILE B 67 7.832 20.577 0.429 1.00 0.82 N ATOM 2568 CA ILE B 67 7.794 19.107 0.482 1.00 0.83 C ATOM 2569 C ILE B 67 6.331 18.654 0.544 1.00 0.77 C ATOM 2570 O ILE B 67 5.519 19.309 1.198 1.00 0.85 O ATOM 2571 CB ILE B 67 8.529 18.635 1.767 1.00 0.99 C ATOM 2572 CG1 ILE B 67 10.020 18.957 1.600 1.00 1.33 C ATOM 2573 CG2 ILE B 67 8.285 17.172 2.163 1.00 1.90 C ATOM 2574 CD1 ILE B 67 11.038 18.092 2.328 1.00 1.43 C ATOM 0 H ILE B 67 7.143 20.948 1.083 1.00 0.82 H new ATOM 0 HA ILE B 67 8.277 18.684 -0.399 1.00 0.83 H new ATOM 0 HB ILE B 67 8.107 19.182 2.610 1.00 0.99 H new ATOM 0 HG12 ILE B 67 10.251 18.915 0.536 1.00 1.33 H new ATOM 0 HG13 ILE B 67 10.174 19.988 1.919 1.00 1.33 H new ATOM 0 HG21 ILE B 67 8.842 16.943 3.071 1.00 1.90 H new ATOM 0 HG22 ILE B 67 7.221 17.016 2.341 1.00 1.90 H new ATOM 0 HG23 ILE B 67 8.618 16.517 1.358 1.00 1.90 H new ATOM 0 HD11 ILE B 67 12.044 18.449 2.107 1.00 1.43 H new ATOM 0 HD12 ILE B 67 10.861 18.148 3.402 1.00 1.43 H new ATOM 0 HD13 ILE B 67 10.939 17.058 1.998 1.00 1.43 H new ATOM 2586 N ASP B 68 6.013 17.519 -0.086 1.00 0.83 N ATOM 2587 CA ASP B 68 4.696 16.861 -0.004 1.00 0.84 C ATOM 2588 C ASP B 68 4.671 15.587 0.873 1.00 0.76 C ATOM 2589 O ASP B 68 5.693 15.036 1.285 1.00 1.02 O ATOM 2590 CB ASP B 68 4.123 16.595 -1.421 1.00 1.00 C ATOM 2591 CG ASP B 68 4.429 15.216 -2.041 1.00 1.30 C ATOM 2592 OD1 ASP B 68 5.534 14.666 -1.851 1.00 2.41 O ATOM 2593 OD2 ASP B 68 3.544 14.635 -2.721 1.00 1.63 O ATOM 0 H ASP B 68 6.674 17.018 -0.680 1.00 0.83 H new ATOM 0 HA ASP B 68 4.044 17.566 0.512 1.00 0.84 H new ATOM 0 HB2 ASP B 68 3.041 16.718 -1.380 1.00 1.00 H new ATOM 0 HB3 ASP B 68 4.505 17.363 -2.093 1.00 1.00 H new ATOM 2598 N PHE B 69 3.456 15.068 1.087 1.00 0.70 N ATOM 2599 CA PHE B 69 3.171 13.803 1.781 1.00 0.73 C ATOM 2600 C PHE B 69 3.968 12.583 1.275 1.00 0.68 C ATOM 2601 O PHE B 69 4.142 11.609 2.006 1.00 0.79 O ATOM 2602 CB PHE B 69 1.663 13.506 1.640 1.00 0.90 C ATOM 2603 CG PHE B 69 0.894 13.642 2.930 1.00 1.38 C ATOM 2604 CD1 PHE B 69 0.957 12.618 3.893 1.00 1.99 C ATOM 2605 CD2 PHE B 69 0.112 14.789 3.168 1.00 2.84 C ATOM 2606 CE1 PHE B 69 0.240 12.742 5.098 1.00 2.84 C ATOM 2607 CE2 PHE B 69 -0.607 14.905 4.367 1.00 3.67 C ATOM 2608 CZ PHE B 69 -0.543 13.884 5.330 1.00 3.38 C ATOM 0 H PHE B 69 2.608 15.537 0.768 1.00 0.70 H new ATOM 0 HA PHE B 69 3.481 13.946 2.816 1.00 0.73 H new ATOM 0 HB2 PHE B 69 1.236 14.183 0.900 1.00 0.90 H new ATOM 0 HB3 PHE B 69 1.536 12.494 1.257 1.00 0.90 H new ATOM 0 HD1 PHE B 69 1.555 11.738 3.708 1.00 1.99 H new ATOM 0 HD2 PHE B 69 0.066 15.576 2.430 1.00 2.84 H new ATOM 0 HE1 PHE B 69 0.292 11.961 5.842 1.00 2.84 H new ATOM 0 HE2 PHE B 69 -1.211 15.781 4.550 1.00 3.67 H new ATOM 0 HZ PHE B 69 -1.098 13.978 6.252 1.00 3.38 H new ATOM 2618 N LYS B 70 4.416 12.587 0.020 1.00 0.65 N ATOM 2619 CA LYS B 70 5.029 11.446 -0.656 1.00 0.70 C ATOM 2620 C LYS B 70 6.545 11.442 -0.487 1.00 0.61 C ATOM 2621 O LYS B 70 7.097 10.392 -0.159 1.00 0.62 O ATOM 2622 CB LYS B 70 4.638 11.574 -2.116 1.00 0.87 C ATOM 2623 CG LYS B 70 4.921 10.359 -2.995 1.00 1.16 C ATOM 2624 CD LYS B 70 4.446 10.652 -4.428 1.00 1.88 C ATOM 2625 CE LYS B 70 5.161 11.864 -5.060 1.00 2.81 C ATOM 2626 NZ LYS B 70 4.482 13.164 -4.796 1.00 3.81 N ATOM 0 H LYS B 70 4.360 13.414 -0.574 1.00 0.65 H new ATOM 0 HA LYS B 70 4.683 10.504 -0.231 1.00 0.70 H new ATOM 0 HB2 LYS B 70 3.572 11.794 -2.168 1.00 0.87 H new ATOM 0 HB3 LYS B 70 5.162 12.432 -2.538 1.00 0.87 H new ATOM 0 HG2 LYS B 70 5.987 10.133 -2.991 1.00 1.16 H new ATOM 0 HG3 LYS B 70 4.408 9.482 -2.601 1.00 1.16 H new ATOM 0 HD2 LYS B 70 4.615 9.772 -5.049 1.00 1.88 H new ATOM 0 HD3 LYS B 70 3.371 10.834 -4.419 1.00 1.88 H new ATOM 0 HE2 LYS B 70 6.181 11.913 -4.678 1.00 2.81 H new ATOM 0 HE3 LYS B 70 5.231 11.713 -6.137 1.00 2.81 H new ATOM 0 HZ1 LYS B 70 5.196 13.899 -4.621 1.00 3.81 H new ATOM 0 HZ2 LYS B 70 3.907 13.429 -5.621 1.00 3.81 H new ATOM 0 HZ3 LYS B 70 3.868 13.072 -3.961 1.00 3.81 H new ATOM 2640 N GLU B 71 7.184 12.606 -0.654 1.00 0.59 N ATOM 2641 CA GLU B 71 8.567 12.834 -0.237 1.00 0.57 C ATOM 2642 C GLU B 71 8.734 12.386 1.217 1.00 0.55 C ATOM 2643 O GLU B 71 9.643 11.637 1.551 1.00 0.67 O ATOM 2644 CB GLU B 71 8.908 14.326 -0.329 1.00 0.68 C ATOM 2645 CG GLU B 71 8.957 14.877 -1.756 1.00 0.83 C ATOM 2646 CD GLU B 71 9.942 16.044 -1.837 1.00 1.66 C ATOM 2647 OE1 GLU B 71 11.162 15.788 -1.858 1.00 2.03 O ATOM 2648 OE2 GLU B 71 9.512 17.215 -1.854 1.00 2.98 O ATOM 0 H GLU B 71 6.749 13.421 -1.086 1.00 0.59 H new ATOM 0 HA GLU B 71 9.230 12.267 -0.890 1.00 0.57 H new ATOM 0 HB2 GLU B 71 8.170 14.891 0.240 1.00 0.68 H new ATOM 0 HB3 GLU B 71 9.874 14.495 0.146 1.00 0.68 H new ATOM 0 HG2 GLU B 71 9.257 14.090 -2.448 1.00 0.83 H new ATOM 0 HG3 GLU B 71 7.964 15.208 -2.060 1.00 0.83 H new ATOM 2655 N TYR B 72 7.759 12.738 2.054 1.00 0.50 N ATOM 2656 CA TYR B 72 7.720 12.380 3.474 1.00 0.50 C ATOM 2657 C TYR B 72 7.682 10.855 3.692 1.00 0.50 C ATOM 2658 O TYR B 72 8.527 10.289 4.390 1.00 0.49 O ATOM 2659 CB TYR B 72 6.513 13.123 4.065 1.00 0.52 C ATOM 2660 CG TYR B 72 5.885 12.539 5.312 1.00 0.64 C ATOM 2661 CD1 TYR B 72 6.630 12.399 6.498 1.00 1.43 C ATOM 2662 CD2 TYR B 72 4.516 12.198 5.300 1.00 1.85 C ATOM 2663 CE1 TYR B 72 6.001 11.950 7.673 1.00 1.46 C ATOM 2664 CE2 TYR B 72 3.880 11.765 6.475 1.00 2.02 C ATOM 2665 CZ TYR B 72 4.625 11.648 7.669 1.00 1.06 C ATOM 2666 OH TYR B 72 4.020 11.299 8.831 1.00 1.29 O ATOM 0 H TYR B 72 6.955 13.292 1.758 1.00 0.50 H new ATOM 0 HA TYR B 72 8.631 12.684 3.989 1.00 0.50 H new ATOM 0 HB2 TYR B 72 6.821 14.144 4.288 1.00 0.52 H new ATOM 0 HB3 TYR B 72 5.743 13.183 3.295 1.00 0.52 H new ATOM 0 HD1 TYR B 72 7.684 12.636 6.506 1.00 1.43 H new ATOM 0 HD2 TYR B 72 3.953 12.270 4.381 1.00 1.85 H new ATOM 0 HE1 TYR B 72 6.575 11.836 8.581 1.00 1.46 H new ATOM 0 HE2 TYR B 72 2.828 11.523 6.465 1.00 2.02 H new ATOM 0 HH TYR B 72 3.063 11.503 8.776 1.00 1.29 H new ATOM 2676 N SER B 73 6.751 10.150 3.053 1.00 0.54 N ATOM 2677 CA SER B 73 6.608 8.701 3.199 1.00 0.60 C ATOM 2678 C SER B 73 7.747 7.895 2.558 1.00 0.62 C ATOM 2679 O SER B 73 8.130 6.867 3.128 1.00 0.66 O ATOM 2680 CB SER B 73 5.249 8.269 2.650 1.00 0.74 C ATOM 2681 OG SER B 73 5.133 8.496 1.265 1.00 1.31 O ATOM 0 H SER B 73 6.072 10.568 2.417 1.00 0.54 H new ATOM 0 HA SER B 73 6.669 8.479 4.264 1.00 0.60 H new ATOM 0 HB2 SER B 73 5.097 7.209 2.856 1.00 0.74 H new ATOM 0 HB3 SER B 73 4.460 8.811 3.172 1.00 0.74 H new ATOM 0 HG SER B 73 5.877 9.057 0.962 1.00 1.31 H new ATOM 2687 N VAL B 74 8.326 8.341 1.431 1.00 0.63 N ATOM 2688 CA VAL B 74 9.504 7.684 0.834 1.00 0.69 C ATOM 2689 C VAL B 74 10.795 7.966 1.594 1.00 0.64 C ATOM 2690 O VAL B 74 11.646 7.089 1.622 1.00 0.69 O ATOM 2691 CB VAL B 74 9.738 7.963 -0.661 1.00 0.82 C ATOM 2692 CG1 VAL B 74 8.516 7.548 -1.483 1.00 0.94 C ATOM 2693 CG2 VAL B 74 10.197 9.386 -1.014 1.00 0.79 C ATOM 0 H VAL B 74 7.997 9.156 0.913 1.00 0.63 H new ATOM 0 HA VAL B 74 9.244 6.629 0.923 1.00 0.69 H new ATOM 0 HB VAL B 74 10.593 7.342 -0.929 1.00 0.82 H new ATOM 0 HG11 VAL B 74 8.700 7.753 -2.538 1.00 0.94 H new ATOM 0 HG12 VAL B 74 8.331 6.482 -1.347 1.00 0.94 H new ATOM 0 HG13 VAL B 74 7.645 8.113 -1.150 1.00 0.94 H new ATOM 0 HG21 VAL B 74 10.330 9.468 -2.093 1.00 0.79 H new ATOM 0 HG22 VAL B 74 9.444 10.103 -0.686 1.00 0.79 H new ATOM 0 HG23 VAL B 74 11.142 9.598 -0.514 1.00 0.79 H new ATOM 2703 N PHE B 75 10.940 9.123 2.241 1.00 0.60 N ATOM 2704 CA PHE B 75 12.074 9.428 3.118 1.00 0.59 C ATOM 2705 C PHE B 75 12.050 8.513 4.337 1.00 0.61 C ATOM 2706 O PHE B 75 13.080 7.951 4.701 1.00 0.62 O ATOM 2707 CB PHE B 75 11.979 10.896 3.544 1.00 0.56 C ATOM 2708 CG PHE B 75 13.207 11.470 4.213 1.00 0.51 C ATOM 2709 CD1 PHE B 75 13.552 11.149 5.541 1.00 1.70 C ATOM 2710 CD2 PHE B 75 13.979 12.399 3.497 1.00 1.67 C ATOM 2711 CE1 PHE B 75 14.623 11.812 6.170 1.00 1.70 C ATOM 2712 CE2 PHE B 75 15.045 13.051 4.122 1.00 1.68 C ATOM 2713 CZ PHE B 75 15.349 12.789 5.466 1.00 0.59 C ATOM 0 H PHE B 75 10.266 9.885 2.171 1.00 0.60 H new ATOM 0 HA PHE B 75 13.013 9.262 2.589 1.00 0.59 H new ATOM 0 HB2 PHE B 75 11.755 11.496 2.662 1.00 0.56 H new ATOM 0 HB3 PHE B 75 11.135 11.003 4.225 1.00 0.56 H new ATOM 0 HD1 PHE B 75 12.995 10.394 6.076 1.00 1.70 H new ATOM 0 HD2 PHE B 75 13.749 12.610 2.463 1.00 1.67 H new ATOM 0 HE1 PHE B 75 14.886 11.571 7.189 1.00 1.70 H new ATOM 0 HE2 PHE B 75 15.639 13.762 3.566 1.00 1.68 H new ATOM 0 HZ PHE B 75 16.139 13.336 5.959 1.00 0.59 H new ATOM 2723 N LEU B 76 10.875 8.322 4.953 1.00 0.61 N ATOM 2724 CA LEU B 76 10.713 7.429 6.100 1.00 0.60 C ATOM 2725 C LEU B 76 10.863 5.960 5.717 1.00 0.64 C ATOM 2726 O LEU B 76 11.531 5.219 6.437 1.00 0.69 O ATOM 2727 CB LEU B 76 9.357 7.690 6.765 1.00 0.54 C ATOM 2728 CG LEU B 76 9.322 9.020 7.541 1.00 0.68 C ATOM 2729 CD1 LEU B 76 7.893 9.225 8.044 1.00 1.10 C ATOM 2730 CD2 LEU B 76 10.339 9.003 8.696 1.00 1.21 C ATOM 0 H LEU B 76 10.012 8.784 4.667 1.00 0.61 H new ATOM 0 HA LEU B 76 11.511 7.644 6.810 1.00 0.60 H new ATOM 0 HB2 LEU B 76 8.578 7.699 6.002 1.00 0.54 H new ATOM 0 HB3 LEU B 76 9.127 6.871 7.446 1.00 0.54 H new ATOM 0 HG LEU B 76 9.604 9.851 6.895 1.00 0.68 H new ATOM 0 HD11 LEU B 76 7.834 10.161 8.599 1.00 1.10 H new ATOM 0 HD12 LEU B 76 7.210 9.263 7.195 1.00 1.10 H new ATOM 0 HD13 LEU B 76 7.615 8.397 8.697 1.00 1.10 H new ATOM 0 HD21 LEU B 76 10.298 9.952 9.231 1.00 1.21 H new ATOM 0 HD22 LEU B 76 10.098 8.190 9.381 1.00 1.21 H new ATOM 0 HD23 LEU B 76 11.342 8.856 8.296 1.00 1.21 H new ATOM 2742 N THR B 77 10.326 5.558 4.559 1.00 0.67 N ATOM 2743 CA THR B 77 10.544 4.229 3.964 1.00 0.72 C ATOM 2744 C THR B 77 12.026 3.985 3.710 1.00 0.76 C ATOM 2745 O THR B 77 12.570 2.987 4.170 1.00 0.78 O ATOM 2746 CB THR B 77 9.739 4.119 2.672 1.00 0.72 C ATOM 2747 OG1 THR B 77 8.382 4.075 3.030 1.00 0.74 O ATOM 2748 CG2 THR B 77 10.101 2.884 1.849 1.00 0.87 C ATOM 0 H THR B 77 9.718 6.155 3.998 1.00 0.67 H new ATOM 0 HA THR B 77 10.204 3.463 4.660 1.00 0.72 H new ATOM 0 HB THR B 77 9.965 4.979 2.042 1.00 0.72 H new ATOM 0 HG1 THR B 77 8.041 4.988 3.132 1.00 0.74 H new ATOM 0 HG21 THR B 77 9.496 2.861 0.943 1.00 0.87 H new ATOM 0 HG22 THR B 77 11.157 2.923 1.580 1.00 0.87 H new ATOM 0 HG23 THR B 77 9.909 1.986 2.437 1.00 0.87 H new ATOM 2756 N MET B 78 12.689 4.920 3.030 1.00 0.79 N ATOM 2757 CA MET B 78 14.120 4.889 2.722 1.00 0.85 C ATOM 2758 C MET B 78 14.950 4.759 3.993 1.00 0.88 C ATOM 2759 O MET B 78 15.812 3.890 4.060 1.00 1.00 O ATOM 2760 CB MET B 78 14.475 6.162 1.935 1.00 0.80 C ATOM 2761 CG MET B 78 15.969 6.347 1.676 1.00 0.89 C ATOM 2762 SD MET B 78 16.367 7.582 0.412 1.00 1.15 S ATOM 2763 CE MET B 78 15.408 9.003 0.994 1.00 1.21 C ATOM 0 H MET B 78 12.227 5.752 2.664 1.00 0.79 H new ATOM 0 HA MET B 78 14.351 4.016 2.112 1.00 0.85 H new ATOM 0 HB2 MET B 78 13.953 6.141 0.979 1.00 0.80 H new ATOM 0 HB3 MET B 78 14.103 7.028 2.482 1.00 0.80 H new ATOM 0 HG2 MET B 78 16.454 6.632 2.610 1.00 0.89 H new ATOM 0 HG3 MET B 78 16.394 5.389 1.376 1.00 0.89 H new ATOM 0 HE1 MET B 78 15.796 9.915 0.540 1.00 1.21 H new ATOM 0 HE2 MET B 78 14.362 8.875 0.714 1.00 1.21 H new ATOM 0 HE3 MET B 78 15.487 9.076 2.079 1.00 1.21 H new ATOM 2773 N LEU B 79 14.667 5.572 5.010 1.00 0.81 N ATOM 2774 CA LEU B 79 15.368 5.565 6.288 1.00 0.84 C ATOM 2775 C LEU B 79 15.112 4.279 7.097 1.00 0.80 C ATOM 2776 O LEU B 79 16.042 3.752 7.700 1.00 0.80 O ATOM 2777 CB LEU B 79 14.972 6.863 7.016 1.00 0.91 C ATOM 2778 CG LEU B 79 15.623 7.097 8.390 1.00 0.98 C ATOM 2779 CD1 LEU B 79 17.150 6.924 8.382 1.00 1.26 C ATOM 2780 CD2 LEU B 79 15.255 8.513 8.864 1.00 1.67 C ATOM 0 H LEU B 79 13.925 6.270 4.964 1.00 0.81 H new ATOM 0 HA LEU B 79 16.448 5.549 6.143 1.00 0.84 H new ATOM 0 HB2 LEU B 79 15.220 7.706 6.372 1.00 0.91 H new ATOM 0 HB3 LEU B 79 13.890 6.867 7.145 1.00 0.91 H new ATOM 0 HG LEU B 79 15.240 6.338 9.073 1.00 0.98 H new ATOM 0 HD11 LEU B 79 17.542 7.104 9.383 1.00 1.26 H new ATOM 0 HD12 LEU B 79 17.400 5.909 8.071 1.00 1.26 H new ATOM 0 HD13 LEU B 79 17.593 7.636 7.686 1.00 1.26 H new ATOM 0 HD21 LEU B 79 15.707 8.700 9.838 1.00 1.67 H new ATOM 0 HD22 LEU B 79 15.625 9.245 8.146 1.00 1.67 H new ATOM 0 HD23 LEU B 79 14.171 8.600 8.945 1.00 1.67 H new ATOM 2792 N CYS B 80 13.902 3.717 7.056 1.00 0.80 N ATOM 2793 CA CYS B 80 13.607 2.418 7.666 1.00 0.81 C ATOM 2794 C CYS B 80 14.378 1.280 6.976 1.00 0.88 C ATOM 2795 O CYS B 80 14.976 0.440 7.650 1.00 0.94 O ATOM 2796 CB CYS B 80 12.086 2.208 7.628 1.00 0.81 C ATOM 2797 SG CYS B 80 11.633 0.756 8.619 1.00 0.94 S ATOM 0 H CYS B 80 13.099 4.149 6.599 1.00 0.80 H new ATOM 0 HA CYS B 80 13.942 2.406 8.703 1.00 0.81 H new ATOM 0 HB2 CYS B 80 11.579 3.093 8.012 1.00 0.81 H new ATOM 0 HB3 CYS B 80 11.755 2.073 6.598 1.00 0.81 H new ATOM 0 HG CYS B 80 10.457 0.335 8.259 1.00 0.94 H new ATOM 2803 N MET B 81 14.435 1.287 5.643 1.00 0.93 N ATOM 2804 CA MET B 81 15.200 0.320 4.854 1.00 1.04 C ATOM 2805 C MET B 81 16.721 0.526 4.978 1.00 1.09 C ATOM 2806 O MET B 81 17.472 -0.420 4.766 1.00 1.22 O ATOM 2807 CB MET B 81 14.716 0.377 3.400 1.00 1.15 C ATOM 2808 CG MET B 81 14.794 -1.013 2.754 1.00 1.97 C ATOM 2809 SD MET B 81 14.773 -0.964 0.952 1.00 2.63 S ATOM 2810 CE MET B 81 16.520 -0.548 0.743 1.00 2.97 C ATOM 0 H MET B 81 13.943 1.975 5.073 1.00 0.93 H new ATOM 0 HA MET B 81 15.020 -0.680 5.249 1.00 1.04 H new ATOM 0 HB2 MET B 81 13.690 0.744 3.366 1.00 1.15 H new ATOM 0 HB3 MET B 81 15.325 1.082 2.835 1.00 1.15 H new ATOM 0 HG2 MET B 81 15.705 -1.510 3.086 1.00 1.97 H new ATOM 0 HG3 MET B 81 13.956 -1.616 3.104 1.00 1.97 H new ATOM 0 HE1 MET B 81 16.621 0.232 -0.012 1.00 2.97 H new ATOM 0 HE2 MET B 81 16.925 -0.191 1.690 1.00 2.97 H new ATOM 0 HE3 MET B 81 17.069 -1.434 0.425 1.00 2.97 H new ATOM 2820 N ALA B 82 17.172 1.731 5.352 1.00 1.09 N ATOM 2821 CA ALA B 82 18.579 2.085 5.551 1.00 1.22 C ATOM 2822 C ALA B 82 19.219 1.557 6.853 1.00 1.17 C ATOM 2823 O ALA B 82 20.437 1.669 7.001 1.00 1.38 O ATOM 2824 CB ALA B 82 18.722 3.608 5.456 1.00 1.35 C ATOM 0 H ALA B 82 16.542 2.513 5.530 1.00 1.09 H new ATOM 0 HA ALA B 82 19.135 1.582 4.759 1.00 1.22 H new ATOM 0 HB1 ALA B 82 19.766 3.885 5.603 1.00 1.35 H new ATOM 0 HB2 ALA B 82 18.392 3.944 4.473 1.00 1.35 H new ATOM 0 HB3 ALA B 82 18.110 4.080 6.225 1.00 1.35 H new ATOM 2830 N TYR B 83 18.443 1.015 7.802 1.00 1.02 N ATOM 2831 CA TYR B 83 18.999 0.481 9.057 1.00 1.10 C ATOM 2832 C TYR B 83 18.226 -0.667 9.731 1.00 1.10 C ATOM 2833 O TYR B 83 18.598 -1.073 10.834 1.00 1.51 O ATOM 2834 CB TYR B 83 19.327 1.622 10.039 1.00 1.35 C ATOM 2835 CG TYR B 83 18.178 2.269 10.794 1.00 1.21 C ATOM 2836 CD1 TYR B 83 17.682 1.692 11.981 1.00 1.97 C ATOM 2837 CD2 TYR B 83 17.674 3.509 10.372 1.00 2.10 C ATOM 2838 CE1 TYR B 83 16.661 2.320 12.714 1.00 2.19 C ATOM 2839 CE2 TYR B 83 16.673 4.158 11.116 1.00 2.07 C ATOM 2840 CZ TYR B 83 16.145 3.565 12.284 1.00 1.50 C ATOM 2841 OH TYR B 83 15.160 4.193 12.992 1.00 1.83 O ATOM 0 H TYR B 83 17.429 0.934 7.726 1.00 1.02 H new ATOM 0 HA TYR B 83 19.920 -0.013 8.749 1.00 1.10 H new ATOM 0 HB2 TYR B 83 20.034 1.237 10.774 1.00 1.35 H new ATOM 0 HB3 TYR B 83 19.842 2.404 9.481 1.00 1.35 H new ATOM 0 HD1 TYR B 83 18.092 0.756 12.331 1.00 1.97 H new ATOM 0 HD2 TYR B 83 18.057 3.967 9.472 1.00 2.10 H new ATOM 0 HE1 TYR B 83 16.270 1.852 13.606 1.00 2.19 H new ATOM 0 HE2 TYR B 83 16.304 5.120 10.791 1.00 2.07 H new ATOM 0 HH TYR B 83 14.928 5.037 12.552 1.00 1.83 H new ATOM 2851 N ASN B 84 17.199 -1.231 9.097 1.00 1.01 N ATOM 2852 CA ASN B 84 16.590 -2.482 9.562 1.00 1.17 C ATOM 2853 C ASN B 84 17.157 -3.717 8.833 1.00 1.21 C ATOM 2854 O ASN B 84 16.432 -4.601 8.377 1.00 1.55 O ATOM 2855 CB ASN B 84 15.065 -2.389 9.596 1.00 1.50 C ATOM 2856 CG ASN B 84 14.583 -1.452 10.695 1.00 2.49 C ATOM 2857 OD1 ASN B 84 14.441 -1.828 11.850 1.00 3.38 O ATOM 2858 ND2 ASN B 84 14.354 -0.193 10.378 1.00 3.12 N ATOM 0 H ASN B 84 16.769 -0.842 8.258 1.00 1.01 H new ATOM 0 HA ASN B 84 16.881 -2.635 10.601 1.00 1.17 H new ATOM 0 HB2 ASN B 84 14.700 -2.037 8.631 1.00 1.50 H new ATOM 0 HB3 ASN B 84 14.643 -3.382 9.753 1.00 1.50 H new ATOM 0 HD21 ASN B 84 14.058 0.468 11.096 1.00 3.12 H new ATOM 0 HD22 ASN B 84 14.473 0.120 9.414 1.00 3.12 H new ATOM 2865 N ASP B 85 18.487 -3.826 8.860 1.00 1.75 N ATOM 2866 CA ASP B 85 19.209 -5.106 8.937 1.00 1.88 C ATOM 2867 C ASP B 85 18.561 -6.076 9.947 1.00 1.99 C ATOM 2868 O ASP B 85 18.489 -7.274 9.683 1.00 2.13 O ATOM 2869 CB ASP B 85 20.692 -4.837 9.283 1.00 2.61 C ATOM 2870 CG ASP B 85 20.915 -3.645 10.228 1.00 3.35 C ATOM 2871 OD1 ASP B 85 20.999 -2.500 9.721 1.00 4.27 O ATOM 2872 OD2 ASP B 85 20.951 -3.805 11.468 1.00 3.88 O ATOM 0 H ASP B 85 19.106 -3.016 8.829 1.00 1.75 H new ATOM 0 HA ASP B 85 19.152 -5.595 7.964 1.00 1.88 H new ATOM 0 HB2 ASP B 85 21.114 -5.732 9.740 1.00 2.61 H new ATOM 0 HB3 ASP B 85 21.242 -4.661 8.359 1.00 2.61 H new