USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 946 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -142:sc= 1.22 (180deg=1.01) USER MOD Single : A 2 LYS NZ :NH3+ 173:sc= 1.06 (180deg=0.683) USER MOD Single : A 3 SER OG : rot -165:sc= -0.48 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 147:sc= -1.32 (180deg=-5.29!) USER MOD Single : A 31 LYS NZ :NH3+ 171:sc= 0.59 (180deg=0.55) USER MOD Single : A 33 SER OG : rot -26:sc= 0.465 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 165:sc= 1.51 (180deg=1.29) USER MOD Single : A 47 LYS NZ :NH3+ -179:sc= 3.1 (180deg=3.09) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= -0.0388 (180deg=-0.263) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -152:sc= 1.22 (180deg=1.05) USER MOD Single : B 2 LYS NZ :NH3+ -120:sc= 0.683 (180deg=0.133) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0145) USER MOD Single : B 18 MET CE :methyl -100:sc= -3.26 (180deg=-4.43!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot 180:sc= -0.224 USER MOD Single : B 42 LYS NZ :NH3+ -165:sc= 0.154 (180deg=0.146) USER MOD Single : B 46 LYS NZ :NH3+ -178:sc= 1.59 (180deg=1.47) USER MOD Single : B 47 LYS NZ :NH3+ -178:sc= 2 (180deg=1.88) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 164:sc= -0.029 (180deg=-0.249) USER MOD Single : B 51 HIS : no HD1:sc= 0 X(o=0,f=-0.0061) USER MOD Single : B 54 CYS SG : rot 52:sc= -0.206 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.962 5.610 -13.617 1.00 2.39 N ATOM 2 CA MET A 1 -7.708 5.794 -14.381 1.00 1.49 C ATOM 3 C MET A 1 -6.502 5.731 -13.451 1.00 1.24 C ATOM 4 O MET A 1 -5.735 4.771 -13.490 1.00 1.91 O ATOM 5 CB MET A 1 -7.725 7.138 -15.118 1.00 2.01 C ATOM 6 CG MET A 1 -6.476 7.393 -15.947 1.00 2.70 C ATOM 7 SD MET A 1 -6.456 9.033 -16.694 1.00 3.90 S ATOM 8 CE MET A 1 -4.897 8.966 -17.577 1.00 4.80 C ATOM 0 H1 MET A 1 -9.629 5.040 -14.176 1.00 2.39 H new ATOM 0 H2 MET A 1 -8.755 5.122 -12.722 1.00 2.39 H new ATOM 0 H3 MET A 1 -9.385 6.538 -13.415 1.00 2.39 H new ATOM 0 HA MET A 1 -7.632 4.989 -15.112 1.00 1.49 H new ATOM 0 HB2 MET A 1 -8.598 7.174 -15.770 1.00 2.01 H new ATOM 0 HB3 MET A 1 -7.838 7.941 -14.390 1.00 2.01 H new ATOM 0 HG2 MET A 1 -5.596 7.276 -15.315 1.00 2.70 H new ATOM 0 HG3 MET A 1 -6.407 6.640 -16.732 1.00 2.70 H new ATOM 0 HE1 MET A 1 -4.732 9.910 -18.097 1.00 4.80 H new ATOM 0 HE2 MET A 1 -4.085 8.795 -16.870 1.00 4.80 H new ATOM 0 HE3 MET A 1 -4.924 8.153 -18.302 1.00 4.80 H new ATOM 20 N LYS A 2 -6.344 6.762 -12.622 1.00 0.91 N ATOM 21 CA LYS A 2 -5.261 6.838 -11.642 1.00 0.58 C ATOM 22 C LYS A 2 -3.880 6.755 -12.282 1.00 0.56 C ATOM 23 O LYS A 2 -3.734 6.752 -13.505 1.00 0.81 O ATOM 24 CB LYS A 2 -5.418 5.746 -10.573 1.00 0.74 C ATOM 25 CG LYS A 2 -6.542 6.016 -9.581 1.00 0.82 C ATOM 26 CD LYS A 2 -6.074 6.821 -8.371 1.00 0.85 C ATOM 27 CE LYS A 2 -5.512 8.189 -8.743 1.00 1.75 C ATOM 28 NZ LYS A 2 -6.559 9.131 -9.221 1.00 2.48 N ATOM 0 H LYS A 2 -6.965 7.571 -12.611 1.00 0.91 H new ATOM 0 HA LYS A 2 -5.337 7.817 -11.170 1.00 0.58 H new ATOM 0 HB2 LYS A 2 -5.602 4.791 -11.066 1.00 0.74 H new ATOM 0 HB3 LYS A 2 -4.480 5.647 -10.027 1.00 0.74 H new ATOM 0 HG2 LYS A 2 -7.344 6.556 -10.084 1.00 0.82 H new ATOM 0 HG3 LYS A 2 -6.959 5.068 -9.243 1.00 0.82 H new ATOM 0 HD2 LYS A 2 -6.910 6.953 -7.685 1.00 0.85 H new ATOM 0 HD3 LYS A 2 -5.311 6.254 -7.838 1.00 0.85 H new ATOM 0 HE2 LYS A 2 -5.011 8.619 -7.876 1.00 1.75 H new ATOM 0 HE3 LYS A 2 -4.757 8.068 -9.520 1.00 1.75 H new ATOM 0 HZ1 LYS A 2 -6.144 10.076 -9.347 1.00 2.48 H new ATOM 0 HZ2 LYS A 2 -6.939 8.796 -10.129 1.00 2.48 H new ATOM 0 HZ3 LYS A 2 -7.327 9.180 -8.522 1.00 2.48 H new ATOM 42 N SER A 3 -2.870 6.722 -11.430 1.00 0.41 N ATOM 43 CA SER A 3 -1.494 6.621 -11.869 1.00 0.39 C ATOM 44 C SER A 3 -1.178 5.190 -12.289 1.00 0.37 C ATOM 45 O SER A 3 -0.615 4.953 -13.357 1.00 0.48 O ATOM 46 CB SER A 3 -0.574 7.050 -10.733 1.00 0.37 C ATOM 47 OG SER A 3 -1.043 8.244 -10.131 1.00 1.00 O ATOM 0 H SER A 3 -2.983 6.765 -10.417 1.00 0.41 H new ATOM 0 HA SER A 3 -1.339 7.274 -12.728 1.00 0.39 H new ATOM 0 HB2 SER A 3 -0.517 6.258 -9.986 1.00 0.37 H new ATOM 0 HB3 SER A 3 0.436 7.202 -11.114 1.00 0.37 H new ATOM 0 HG SER A 3 -0.332 8.634 -9.580 1.00 1.00 H new ATOM 53 N ILE A 4 -1.547 4.236 -11.440 1.00 0.29 N ATOM 54 CA ILE A 4 -1.326 2.831 -11.742 1.00 0.27 C ATOM 55 C ILE A 4 -2.603 2.220 -12.309 1.00 0.29 C ATOM 56 O ILE A 4 -2.558 1.390 -13.215 1.00 0.34 O ATOM 57 CB ILE A 4 -0.889 2.031 -10.495 1.00 0.25 C ATOM 58 CG1 ILE A 4 0.025 2.876 -9.599 1.00 0.31 C ATOM 59 CG2 ILE A 4 -0.168 0.760 -10.925 1.00 0.26 C ATOM 60 CD1 ILE A 4 0.464 2.171 -8.329 1.00 0.26 C ATOM 0 H ILE A 4 -1.998 4.412 -10.542 1.00 0.29 H new ATOM 0 HA ILE A 4 -0.521 2.777 -12.475 1.00 0.27 H new ATOM 0 HB ILE A 4 -1.778 1.766 -9.923 1.00 0.25 H new ATOM 0 HG12 ILE A 4 0.909 3.164 -10.167 1.00 0.31 H new ATOM 0 HG13 ILE A 4 -0.495 3.796 -9.331 1.00 0.31 H new ATOM 0 HG21 ILE A 4 0.138 0.199 -10.042 1.00 0.26 H new ATOM 0 HG22 ILE A 4 -0.838 0.148 -11.529 1.00 0.26 H new ATOM 0 HG23 ILE A 4 0.712 1.022 -11.512 1.00 0.26 H new ATOM 0 HD11 ILE A 4 1.107 2.833 -7.749 1.00 0.26 H new ATOM 0 HD12 ILE A 4 -0.413 1.907 -7.738 1.00 0.26 H new ATOM 0 HD13 ILE A 4 1.013 1.266 -8.587 1.00 0.26 H new ATOM 72 N GLY A 5 -3.740 2.646 -11.762 1.00 0.31 N ATOM 73 CA GLY A 5 -5.025 2.179 -12.250 1.00 0.35 C ATOM 74 C GLY A 5 -5.335 0.775 -11.801 1.00 0.33 C ATOM 75 O GLY A 5 -5.867 -0.030 -12.565 1.00 0.51 O ATOM 0 H GLY A 5 -3.793 3.308 -10.988 1.00 0.31 H new ATOM 0 HA2 GLY A 5 -5.809 2.851 -11.900 1.00 0.35 H new ATOM 0 HA3 GLY A 5 -5.033 2.219 -13.339 1.00 0.35 H new ATOM 79 N VAL A 6 -5.008 0.482 -10.556 1.00 0.18 N ATOM 80 CA VAL A 6 -5.195 -0.854 -10.019 1.00 0.15 C ATOM 81 C VAL A 6 -5.749 -0.808 -8.600 1.00 0.14 C ATOM 82 O VAL A 6 -5.276 -0.050 -7.747 1.00 0.17 O ATOM 83 CB VAL A 6 -3.880 -1.668 -10.027 1.00 0.16 C ATOM 84 CG1 VAL A 6 -3.502 -2.099 -11.435 1.00 0.23 C ATOM 85 CG2 VAL A 6 -2.756 -0.860 -9.413 1.00 0.17 C ATOM 0 H VAL A 6 -4.611 1.152 -9.897 1.00 0.18 H new ATOM 0 HA VAL A 6 -5.915 -1.350 -10.670 1.00 0.15 H new ATOM 0 HB VAL A 6 -4.043 -2.566 -9.431 1.00 0.16 H new ATOM 0 HG11 VAL A 6 -2.573 -2.669 -11.404 1.00 0.23 H new ATOM 0 HG12 VAL A 6 -4.295 -2.720 -11.851 1.00 0.23 H new ATOM 0 HG13 VAL A 6 -3.366 -1.217 -12.061 1.00 0.23 H new ATOM 0 HG21 VAL A 6 -1.837 -1.446 -9.426 1.00 0.17 H new ATOM 0 HG22 VAL A 6 -2.610 0.055 -9.987 1.00 0.17 H new ATOM 0 HG23 VAL A 6 -3.010 -0.607 -8.384 1.00 0.17 H new ATOM 95 N VAL A 7 -6.759 -1.633 -8.372 1.00 0.14 N ATOM 96 CA VAL A 7 -7.363 -1.773 -7.066 1.00 0.13 C ATOM 97 C VAL A 7 -7.200 -3.213 -6.594 1.00 0.14 C ATOM 98 O VAL A 7 -7.291 -4.154 -7.385 1.00 0.17 O ATOM 99 CB VAL A 7 -8.857 -1.360 -7.074 1.00 0.13 C ATOM 100 CG1 VAL A 7 -9.675 -2.251 -7.999 1.00 0.16 C ATOM 101 CG2 VAL A 7 -9.429 -1.380 -5.663 1.00 0.13 C ATOM 0 H VAL A 7 -7.180 -2.222 -9.090 1.00 0.14 H new ATOM 0 HA VAL A 7 -6.856 -1.101 -6.374 1.00 0.13 H new ATOM 0 HB VAL A 7 -8.917 -0.341 -7.456 1.00 0.13 H new ATOM 0 HG11 VAL A 7 -10.718 -1.934 -7.981 1.00 0.16 H new ATOM 0 HG12 VAL A 7 -9.289 -2.172 -9.015 1.00 0.16 H new ATOM 0 HG13 VAL A 7 -9.604 -3.286 -7.664 1.00 0.16 H new ATOM 0 HG21 VAL A 7 -10.478 -1.087 -5.692 1.00 0.13 H new ATOM 0 HG22 VAL A 7 -9.344 -2.385 -5.250 1.00 0.13 H new ATOM 0 HG23 VAL A 7 -8.874 -0.682 -5.036 1.00 0.13 H new ATOM 111 N ARG A 8 -6.928 -3.381 -5.318 1.00 0.14 N ATOM 112 CA ARG A 8 -6.644 -4.689 -4.765 1.00 0.15 C ATOM 113 C ARG A 8 -7.701 -5.059 -3.763 1.00 0.14 C ATOM 114 O ARG A 8 -8.413 -4.196 -3.256 1.00 0.17 O ATOM 115 CB ARG A 8 -5.266 -4.719 -4.097 1.00 0.18 C ATOM 116 CG ARG A 8 -4.188 -5.390 -4.937 1.00 0.28 C ATOM 117 CD ARG A 8 -4.265 -4.939 -6.389 1.00 0.34 C ATOM 118 NE ARG A 8 -3.155 -5.432 -7.199 1.00 0.67 N ATOM 119 CZ ARG A 8 -3.307 -5.958 -8.415 1.00 0.56 C ATOM 120 NH1 ARG A 8 -4.518 -6.099 -8.939 1.00 0.87 N ATOM 121 NH2 ARG A 8 -2.248 -6.332 -9.119 1.00 1.21 N ATOM 0 H ARG A 8 -6.897 -2.621 -4.638 1.00 0.14 H new ATOM 0 HA ARG A 8 -6.644 -5.411 -5.582 1.00 0.15 H new ATOM 0 HB2 ARG A 8 -4.958 -3.697 -3.877 1.00 0.18 H new ATOM 0 HB3 ARG A 8 -5.347 -5.240 -3.143 1.00 0.18 H new ATOM 0 HG2 ARG A 8 -3.205 -5.152 -4.531 1.00 0.28 H new ATOM 0 HG3 ARG A 8 -4.302 -6.473 -4.883 1.00 0.28 H new ATOM 0 HD2 ARG A 8 -5.204 -5.284 -6.821 1.00 0.34 H new ATOM 0 HD3 ARG A 8 -4.278 -3.850 -6.425 1.00 0.34 H new ATOM 0 HE ARG A 8 -2.212 -5.371 -6.814 1.00 0.67 H new ATOM 0 HH11 ARG A 8 -5.340 -5.804 -8.411 1.00 0.87 H new ATOM 0 HH12 ARG A 8 -4.627 -6.502 -9.870 1.00 0.87 H new ATOM 0 HH21 ARG A 8 -1.312 -6.218 -8.731 1.00 1.21 H new ATOM 0 HH22 ARG A 8 -2.370 -6.734 -10.049 1.00 1.21 H new ATOM 135 N LYS A 9 -7.808 -6.337 -3.491 1.00 0.14 N ATOM 136 CA LYS A 9 -8.767 -6.818 -2.528 1.00 0.15 C ATOM 137 C LYS A 9 -8.020 -7.576 -1.449 1.00 0.17 C ATOM 138 O LYS A 9 -7.303 -8.534 -1.745 1.00 0.22 O ATOM 139 CB LYS A 9 -9.826 -7.700 -3.212 1.00 0.22 C ATOM 140 CG LYS A 9 -10.433 -7.078 -4.476 1.00 0.51 C ATOM 141 CD LYS A 9 -10.947 -5.663 -4.226 1.00 0.36 C ATOM 142 CE LYS A 9 -11.400 -4.971 -5.501 1.00 0.98 C ATOM 143 NZ LYS A 9 -12.717 -5.468 -5.975 1.00 1.13 N ATOM 0 H LYS A 9 -7.240 -7.065 -3.925 1.00 0.14 H new ATOM 0 HA LYS A 9 -9.298 -5.981 -2.075 1.00 0.15 H new ATOM 0 HB2 LYS A 9 -9.374 -8.657 -3.471 1.00 0.22 H new ATOM 0 HB3 LYS A 9 -10.626 -7.907 -2.501 1.00 0.22 H new ATOM 0 HG2 LYS A 9 -9.682 -7.057 -5.266 1.00 0.51 H new ATOM 0 HG3 LYS A 9 -11.252 -7.704 -4.831 1.00 0.51 H new ATOM 0 HD2 LYS A 9 -11.779 -5.702 -3.523 1.00 0.36 H new ATOM 0 HD3 LYS A 9 -10.160 -5.072 -3.757 1.00 0.36 H new ATOM 0 HE2 LYS A 9 -11.461 -3.897 -5.327 1.00 0.98 H new ATOM 0 HE3 LYS A 9 -10.654 -5.126 -6.280 1.00 0.98 H new ATOM 0 HZ1 LYS A 9 -12.984 -4.967 -6.846 1.00 1.13 H new ATOM 0 HZ2 LYS A 9 -12.654 -6.488 -6.167 1.00 1.13 H new ATOM 0 HZ3 LYS A 9 -13.436 -5.297 -5.243 1.00 1.13 H new ATOM 157 N VAL A 10 -8.152 -7.108 -0.214 1.00 0.16 N ATOM 158 CA VAL A 10 -7.441 -7.689 0.914 1.00 0.18 C ATOM 159 C VAL A 10 -7.666 -9.193 0.977 1.00 0.20 C ATOM 160 O VAL A 10 -8.756 -9.680 0.715 1.00 0.24 O ATOM 161 CB VAL A 10 -7.871 -7.021 2.246 1.00 0.18 C ATOM 162 CG1 VAL A 10 -7.492 -7.866 3.450 1.00 0.20 C ATOM 163 CG2 VAL A 10 -7.248 -5.644 2.372 1.00 0.18 C ATOM 0 H VAL A 10 -8.751 -6.320 0.031 1.00 0.16 H new ATOM 0 HA VAL A 10 -6.377 -7.505 0.769 1.00 0.18 H new ATOM 0 HB VAL A 10 -8.957 -6.929 2.226 1.00 0.18 H new ATOM 0 HG11 VAL A 10 -7.811 -7.363 4.363 1.00 0.20 H new ATOM 0 HG12 VAL A 10 -7.982 -8.837 3.381 1.00 0.20 H new ATOM 0 HG13 VAL A 10 -6.411 -8.005 3.471 1.00 0.20 H new ATOM 0 HG21 VAL A 10 -7.559 -5.188 3.312 1.00 0.18 H new ATOM 0 HG22 VAL A 10 -6.162 -5.733 2.354 1.00 0.18 H new ATOM 0 HG23 VAL A 10 -7.574 -5.019 1.540 1.00 0.18 H new ATOM 173 N ASP A 11 -6.605 -9.920 1.273 1.00 0.17 N ATOM 174 CA ASP A 11 -6.680 -11.362 1.424 1.00 0.21 C ATOM 175 C ASP A 11 -7.634 -11.710 2.557 1.00 0.22 C ATOM 176 O ASP A 11 -8.743 -12.186 2.320 1.00 0.24 O ATOM 177 CB ASP A 11 -5.282 -11.937 1.688 1.00 0.24 C ATOM 178 CG ASP A 11 -5.298 -13.402 2.082 1.00 0.58 C ATOM 179 OD1 ASP A 11 -5.883 -14.223 1.344 1.00 1.31 O ATOM 180 OD2 ASP A 11 -4.694 -13.739 3.125 1.00 1.30 O ATOM 0 H ASP A 11 -5.673 -9.532 1.415 1.00 0.17 H new ATOM 0 HA ASP A 11 -7.060 -11.804 0.503 1.00 0.21 H new ATOM 0 HB2 ASP A 11 -4.672 -11.816 0.793 1.00 0.24 H new ATOM 0 HB3 ASP A 11 -4.804 -11.361 2.480 1.00 0.24 H new ATOM 185 N GLU A 12 -7.194 -11.447 3.781 1.00 0.23 N ATOM 186 CA GLU A 12 -8.018 -11.627 4.976 1.00 0.25 C ATOM 187 C GLU A 12 -7.517 -10.695 6.065 1.00 0.26 C ATOM 188 O GLU A 12 -8.273 -9.924 6.651 1.00 0.30 O ATOM 189 CB GLU A 12 -7.944 -13.069 5.497 1.00 0.29 C ATOM 190 CG GLU A 12 -8.353 -14.118 4.485 1.00 0.33 C ATOM 191 CD GLU A 12 -8.407 -15.510 5.068 1.00 0.40 C ATOM 192 OE1 GLU A 12 -9.306 -15.778 5.892 1.00 1.10 O ATOM 193 OE2 GLU A 12 -7.561 -16.349 4.691 1.00 1.23 O ATOM 0 H GLU A 12 -6.254 -11.102 3.977 1.00 0.23 H new ATOM 0 HA GLU A 12 -9.052 -11.405 4.713 1.00 0.25 H new ATOM 0 HB2 GLU A 12 -6.924 -13.273 5.823 1.00 0.29 H new ATOM 0 HB3 GLU A 12 -8.583 -13.159 6.375 1.00 0.29 H new ATOM 0 HG2 GLU A 12 -9.332 -13.862 4.079 1.00 0.33 H new ATOM 0 HG3 GLU A 12 -7.650 -14.106 3.652 1.00 0.33 H new ATOM 200 N LEU A 13 -6.214 -10.779 6.310 1.00 0.26 N ATOM 201 CA LEU A 13 -5.561 -10.009 7.360 1.00 0.27 C ATOM 202 C LEU A 13 -5.240 -8.599 6.878 1.00 0.26 C ATOM 203 O LEU A 13 -5.100 -7.669 7.677 1.00 0.41 O ATOM 204 CB LEU A 13 -4.255 -10.688 7.788 1.00 0.30 C ATOM 205 CG LEU A 13 -4.297 -12.213 7.907 1.00 0.31 C ATOM 206 CD1 LEU A 13 -4.020 -12.859 6.558 1.00 0.85 C ATOM 207 CD2 LEU A 13 -3.296 -12.698 8.941 1.00 0.72 C ATOM 0 H LEU A 13 -5.581 -11.383 5.786 1.00 0.26 H new ATOM 0 HA LEU A 13 -6.247 -9.957 8.206 1.00 0.27 H new ATOM 0 HB2 LEU A 13 -3.479 -10.421 7.071 1.00 0.30 H new ATOM 0 HB3 LEU A 13 -3.954 -10.277 8.752 1.00 0.30 H new ATOM 0 HG LEU A 13 -5.296 -12.503 8.233 1.00 0.31 H new ATOM 0 HD11 LEU A 13 -4.054 -13.944 6.660 1.00 0.85 H new ATOM 0 HD12 LEU A 13 -4.774 -12.539 5.839 1.00 0.85 H new ATOM 0 HD13 LEU A 13 -3.033 -12.558 6.206 1.00 0.85 H new ATOM 0 HD21 LEU A 13 -3.342 -13.785 9.010 1.00 0.72 H new ATOM 0 HD22 LEU A 13 -2.292 -12.395 8.645 1.00 0.72 H new ATOM 0 HD23 LEU A 13 -3.535 -12.262 9.911 1.00 0.72 H new ATOM 219 N GLY A 14 -5.122 -8.447 5.569 1.00 0.17 N ATOM 220 CA GLY A 14 -4.729 -7.174 5.000 1.00 0.16 C ATOM 221 C GLY A 14 -3.766 -7.339 3.843 1.00 0.12 C ATOM 222 O GLY A 14 -3.469 -6.387 3.136 1.00 0.12 O ATOM 0 H GLY A 14 -5.292 -9.186 4.887 1.00 0.17 H new ATOM 0 HA2 GLY A 14 -5.616 -6.641 4.659 1.00 0.16 H new ATOM 0 HA3 GLY A 14 -4.265 -6.560 5.772 1.00 0.16 H new ATOM 226 N ARG A 15 -3.279 -8.555 3.651 1.00 0.12 N ATOM 227 CA ARG A 15 -2.303 -8.835 2.598 1.00 0.11 C ATOM 228 C ARG A 15 -2.897 -8.563 1.216 1.00 0.10 C ATOM 229 O ARG A 15 -3.992 -9.030 0.913 1.00 0.14 O ATOM 230 CB ARG A 15 -1.852 -10.296 2.674 1.00 0.15 C ATOM 231 CG ARG A 15 -1.614 -10.795 4.090 1.00 0.25 C ATOM 232 CD ARG A 15 -1.003 -12.188 4.101 1.00 0.40 C ATOM 233 NE ARG A 15 -1.887 -13.199 3.515 1.00 1.45 N ATOM 234 CZ ARG A 15 -1.453 -14.339 2.974 1.00 1.87 C ATOM 235 NH1 ARG A 15 -0.149 -14.597 2.914 1.00 1.51 N ATOM 236 NH2 ARG A 15 -2.330 -15.218 2.501 1.00 3.03 N ATOM 0 H ARG A 15 -3.541 -9.368 4.209 1.00 0.12 H new ATOM 0 HA ARG A 15 -1.447 -8.177 2.749 1.00 0.11 H new ATOM 0 HB2 ARG A 15 -2.607 -10.924 2.200 1.00 0.15 H new ATOM 0 HB3 ARG A 15 -0.933 -10.413 2.099 1.00 0.15 H new ATOM 0 HG2 ARG A 15 -0.953 -10.104 4.613 1.00 0.25 H new ATOM 0 HG3 ARG A 15 -2.558 -10.807 4.635 1.00 0.25 H new ATOM 0 HD2 ARG A 15 -0.062 -12.172 3.551 1.00 0.40 H new ATOM 0 HD3 ARG A 15 -0.767 -12.469 5.128 1.00 0.40 H new ATOM 0 HE ARG A 15 -2.891 -13.021 3.521 1.00 1.45 H new ATOM 0 HH11 ARG A 15 0.522 -13.923 3.282 1.00 1.51 H new ATOM 0 HH12 ARG A 15 0.180 -15.469 2.500 1.00 1.51 H new ATOM 0 HH21 ARG A 15 -3.329 -15.020 2.552 1.00 3.03 H new ATOM 0 HH22 ARG A 15 -2.004 -16.091 2.086 1.00 3.03 H new ATOM 250 N ILE A 16 -2.180 -7.800 0.390 1.00 0.09 N ATOM 251 CA ILE A 16 -2.609 -7.548 -0.988 1.00 0.09 C ATOM 252 C ILE A 16 -1.392 -7.604 -1.914 1.00 0.10 C ATOM 253 O ILE A 16 -0.261 -7.770 -1.456 1.00 0.12 O ATOM 254 CB ILE A 16 -3.346 -6.182 -1.168 1.00 0.10 C ATOM 255 CG1 ILE A 16 -2.364 -5.060 -1.538 1.00 0.11 C ATOM 256 CG2 ILE A 16 -4.137 -5.807 0.081 1.00 0.13 C ATOM 257 CD1 ILE A 16 -2.978 -3.675 -1.528 1.00 0.13 C ATOM 0 H ILE A 16 -1.303 -7.347 0.649 1.00 0.09 H new ATOM 0 HA ILE A 16 -3.329 -8.325 -1.245 1.00 0.09 H new ATOM 0 HB ILE A 16 -4.050 -6.303 -1.992 1.00 0.10 H new ATOM 0 HG12 ILE A 16 -1.526 -5.080 -0.841 1.00 0.11 H new ATOM 0 HG13 ILE A 16 -1.958 -5.259 -2.530 1.00 0.11 H new ATOM 0 HG21 ILE A 16 -4.637 -4.852 -0.078 1.00 0.13 H new ATOM 0 HG22 ILE A 16 -4.881 -6.577 0.285 1.00 0.13 H new ATOM 0 HG23 ILE A 16 -3.459 -5.724 0.930 1.00 0.13 H new ATOM 0 HD11 ILE A 16 -2.221 -2.939 -1.800 1.00 0.13 H new ATOM 0 HD12 ILE A 16 -3.797 -3.635 -2.246 1.00 0.13 H new ATOM 0 HD13 ILE A 16 -3.359 -3.453 -0.531 1.00 0.13 H new ATOM 269 N VAL A 17 -1.617 -7.450 -3.208 1.00 0.10 N ATOM 270 CA VAL A 17 -0.535 -7.525 -4.175 1.00 0.11 C ATOM 271 C VAL A 17 -0.181 -6.139 -4.713 1.00 0.12 C ATOM 272 O VAL A 17 -0.972 -5.502 -5.412 1.00 0.19 O ATOM 273 CB VAL A 17 -0.870 -8.500 -5.335 1.00 0.15 C ATOM 274 CG1 VAL A 17 -2.273 -8.265 -5.874 1.00 0.19 C ATOM 275 CG2 VAL A 17 0.159 -8.390 -6.454 1.00 0.17 C ATOM 0 H VAL A 17 -2.536 -7.273 -3.612 1.00 0.10 H new ATOM 0 HA VAL A 17 0.338 -7.920 -3.655 1.00 0.11 H new ATOM 0 HB VAL A 17 -0.833 -9.512 -4.931 1.00 0.15 H new ATOM 0 HG11 VAL A 17 -2.473 -8.965 -6.685 1.00 0.19 H new ATOM 0 HG12 VAL A 17 -3.000 -8.417 -5.076 1.00 0.19 H new ATOM 0 HG13 VAL A 17 -2.353 -7.244 -6.248 1.00 0.19 H new ATOM 0 HG21 VAL A 17 -0.099 -9.083 -7.255 1.00 0.17 H new ATOM 0 HG22 VAL A 17 0.165 -7.372 -6.844 1.00 0.17 H new ATOM 0 HG23 VAL A 17 1.147 -8.636 -6.065 1.00 0.17 H new ATOM 285 N MET A 18 1.005 -5.667 -4.351 1.00 0.11 N ATOM 286 CA MET A 18 1.512 -4.393 -4.850 1.00 0.12 C ATOM 287 C MET A 18 2.144 -4.612 -6.220 1.00 0.11 C ATOM 288 O MET A 18 2.574 -5.723 -6.536 1.00 0.13 O ATOM 289 CB MET A 18 2.540 -3.803 -3.880 1.00 0.15 C ATOM 290 CG MET A 18 2.004 -3.549 -2.478 1.00 0.28 C ATOM 291 SD MET A 18 1.353 -1.885 -2.245 1.00 0.84 S ATOM 292 CE MET A 18 -0.162 -1.935 -3.188 1.00 0.80 C ATOM 0 H MET A 18 1.637 -6.149 -3.711 1.00 0.11 H new ATOM 0 HA MET A 18 0.686 -3.687 -4.936 1.00 0.12 H new ATOM 0 HB2 MET A 18 3.391 -4.481 -3.814 1.00 0.15 H new ATOM 0 HB3 MET A 18 2.912 -2.864 -4.290 1.00 0.15 H new ATOM 0 HG2 MET A 18 1.217 -4.272 -2.263 1.00 0.28 H new ATOM 0 HG3 MET A 18 2.802 -3.722 -1.756 1.00 0.28 H new ATOM 0 HE1 MET A 18 -0.908 -1.298 -2.713 1.00 0.80 H new ATOM 0 HE2 MET A 18 0.028 -1.579 -4.200 1.00 0.80 H new ATOM 0 HE3 MET A 18 -0.532 -2.959 -3.227 1.00 0.80 H new ATOM 302 N PRO A 19 2.217 -3.569 -7.056 1.00 0.12 N ATOM 303 CA PRO A 19 2.673 -3.711 -8.424 1.00 0.13 C ATOM 304 C PRO A 19 4.191 -3.611 -8.576 1.00 0.13 C ATOM 305 O PRO A 19 4.890 -2.988 -7.762 1.00 0.13 O ATOM 306 CB PRO A 19 1.983 -2.544 -9.126 1.00 0.15 C ATOM 307 CG PRO A 19 1.864 -1.481 -8.085 1.00 0.16 C ATOM 308 CD PRO A 19 1.865 -2.174 -6.741 1.00 0.15 C ATOM 0 HA PRO A 19 2.434 -4.693 -8.831 1.00 0.13 H new ATOM 0 HB2 PRO A 19 2.566 -2.197 -9.979 1.00 0.15 H new ATOM 0 HB3 PRO A 19 1.004 -2.835 -9.506 1.00 0.15 H new ATOM 0 HG2 PRO A 19 2.693 -0.777 -8.156 1.00 0.16 H new ATOM 0 HG3 PRO A 19 0.947 -0.908 -8.222 1.00 0.16 H new ATOM 0 HD2 PRO A 19 2.589 -1.724 -6.061 1.00 0.15 H new ATOM 0 HD3 PRO A 19 0.890 -2.108 -6.258 1.00 0.15 H new ATOM 316 N ILE A 20 4.696 -4.242 -9.626 1.00 0.15 N ATOM 317 CA ILE A 20 6.077 -4.055 -10.045 1.00 0.16 C ATOM 318 C ILE A 20 6.367 -2.566 -10.208 1.00 0.16 C ATOM 319 O ILE A 20 7.461 -2.099 -9.919 1.00 0.16 O ATOM 320 CB ILE A 20 6.356 -4.793 -11.377 1.00 0.20 C ATOM 321 CG1 ILE A 20 7.723 -4.404 -11.958 1.00 0.24 C ATOM 322 CG2 ILE A 20 5.245 -4.518 -12.383 1.00 0.22 C ATOM 323 CD1 ILE A 20 8.899 -4.869 -11.128 1.00 0.26 C ATOM 0 H ILE A 20 4.166 -4.892 -10.207 1.00 0.15 H new ATOM 0 HA ILE A 20 6.730 -4.473 -9.279 1.00 0.16 H new ATOM 0 HB ILE A 20 6.378 -5.862 -11.168 1.00 0.20 H new ATOM 0 HG12 ILE A 20 7.812 -4.821 -12.961 1.00 0.24 H new ATOM 0 HG13 ILE A 20 7.768 -3.320 -12.058 1.00 0.24 H new ATOM 0 HG21 ILE A 20 5.458 -5.045 -13.313 1.00 0.22 H new ATOM 0 HG22 ILE A 20 4.294 -4.865 -11.979 1.00 0.22 H new ATOM 0 HG23 ILE A 20 5.187 -3.447 -12.578 1.00 0.22 H new ATOM 0 HD11 ILE A 20 9.828 -4.555 -11.605 1.00 0.26 H new ATOM 0 HD12 ILE A 20 8.837 -4.431 -10.132 1.00 0.26 H new ATOM 0 HD13 ILE A 20 8.881 -5.956 -11.049 1.00 0.26 H new ATOM 335 N GLU A 21 5.349 -1.829 -10.624 1.00 0.16 N ATOM 336 CA GLU A 21 5.446 -0.388 -10.812 1.00 0.17 C ATOM 337 C GLU A 21 5.761 0.312 -9.494 1.00 0.16 C ATOM 338 O GLU A 21 6.366 1.374 -9.481 1.00 0.19 O ATOM 339 CB GLU A 21 4.134 0.132 -11.388 1.00 0.18 C ATOM 340 CG GLU A 21 3.536 -0.796 -12.434 1.00 0.21 C ATOM 341 CD GLU A 21 4.340 -0.856 -13.717 1.00 0.28 C ATOM 342 OE1 GLU A 21 5.469 -1.390 -13.697 1.00 1.08 O ATOM 343 OE2 GLU A 21 3.829 -0.397 -14.760 1.00 1.03 O ATOM 0 H GLU A 21 4.430 -2.213 -10.842 1.00 0.16 H new ATOM 0 HA GLU A 21 6.259 -0.174 -11.506 1.00 0.17 H new ATOM 0 HB2 GLU A 21 3.417 0.268 -10.579 1.00 0.18 H new ATOM 0 HB3 GLU A 21 4.302 1.112 -11.834 1.00 0.18 H new ATOM 0 HG2 GLU A 21 3.458 -1.800 -12.016 1.00 0.21 H new ATOM 0 HG3 GLU A 21 2.523 -0.467 -12.664 1.00 0.21 H new ATOM 350 N LEU A 22 5.371 -0.310 -8.386 1.00 0.14 N ATOM 351 CA LEU A 22 5.677 0.216 -7.065 1.00 0.15 C ATOM 352 C LEU A 22 7.113 -0.126 -6.726 1.00 0.15 C ATOM 353 O LEU A 22 7.849 0.681 -6.158 1.00 0.17 O ATOM 354 CB LEU A 22 4.705 -0.355 -6.019 1.00 0.18 C ATOM 355 CG LEU A 22 5.297 -0.656 -4.638 1.00 0.15 C ATOM 356 CD1 LEU A 22 4.282 -0.360 -3.550 1.00 0.19 C ATOM 357 CD2 LEU A 22 5.728 -2.115 -4.554 1.00 0.20 C ATOM 0 H LEU A 22 4.841 -1.181 -8.379 1.00 0.14 H new ATOM 0 HA LEU A 22 5.558 1.299 -7.060 1.00 0.15 H new ATOM 0 HB2 LEU A 22 3.884 0.351 -5.893 1.00 0.18 H new ATOM 0 HB3 LEU A 22 4.276 -1.275 -6.416 1.00 0.18 H new ATOM 0 HG LEU A 22 6.168 -0.018 -4.493 1.00 0.15 H new ATOM 0 HD11 LEU A 22 4.719 -0.579 -2.576 1.00 0.19 H new ATOM 0 HD12 LEU A 22 3.999 0.692 -3.593 1.00 0.19 H new ATOM 0 HD13 LEU A 22 3.398 -0.980 -3.699 1.00 0.19 H new ATOM 0 HD21 LEU A 22 6.147 -2.315 -3.568 1.00 0.20 H new ATOM 0 HD22 LEU A 22 4.865 -2.760 -4.719 1.00 0.20 H new ATOM 0 HD23 LEU A 22 6.482 -2.316 -5.315 1.00 0.20 H new ATOM 369 N ARG A 23 7.511 -1.328 -7.114 1.00 0.13 N ATOM 370 CA ARG A 23 8.890 -1.764 -6.937 1.00 0.16 C ATOM 371 C ARG A 23 9.826 -0.914 -7.790 1.00 0.20 C ATOM 372 O ARG A 23 10.995 -0.719 -7.456 1.00 0.25 O ATOM 373 CB ARG A 23 9.045 -3.247 -7.296 1.00 0.18 C ATOM 374 CG ARG A 23 8.183 -4.173 -6.456 1.00 0.17 C ATOM 375 CD ARG A 23 8.533 -5.638 -6.687 1.00 0.24 C ATOM 376 NE ARG A 23 7.798 -6.221 -7.809 1.00 0.69 N ATOM 377 CZ ARG A 23 8.290 -7.159 -8.623 1.00 0.53 C ATOM 378 NH1 ARG A 23 9.551 -7.559 -8.505 1.00 0.46 N ATOM 379 NH2 ARG A 23 7.515 -7.688 -9.561 1.00 1.05 N ATOM 0 H ARG A 23 6.901 -2.018 -7.553 1.00 0.13 H new ATOM 0 HA ARG A 23 9.156 -1.637 -5.888 1.00 0.16 H new ATOM 0 HB2 ARG A 23 8.793 -3.385 -8.347 1.00 0.18 H new ATOM 0 HB3 ARG A 23 10.090 -3.533 -7.179 1.00 0.18 H new ATOM 0 HG2 ARG A 23 8.311 -3.931 -5.401 1.00 0.17 H new ATOM 0 HG3 ARG A 23 7.133 -4.008 -6.696 1.00 0.17 H new ATOM 0 HD2 ARG A 23 9.603 -5.727 -6.873 1.00 0.24 H new ATOM 0 HD3 ARG A 23 8.318 -6.206 -5.782 1.00 0.24 H new ATOM 0 HE ARG A 23 6.849 -5.890 -7.981 1.00 0.69 H new ATOM 0 HH11 ARG A 23 10.151 -7.149 -7.789 1.00 0.46 H new ATOM 0 HH12 ARG A 23 9.919 -8.276 -9.130 1.00 0.46 H new ATOM 0 HH21 ARG A 23 6.548 -7.378 -9.658 1.00 1.05 H new ATOM 0 HH22 ARG A 23 7.886 -8.404 -10.185 1.00 1.05 H new ATOM 393 N ARG A 24 9.282 -0.400 -8.880 1.00 0.18 N ATOM 394 CA ARG A 24 10.022 0.433 -9.812 1.00 0.21 C ATOM 395 C ARG A 24 10.026 1.878 -9.347 1.00 0.23 C ATOM 396 O ARG A 24 11.021 2.587 -9.493 1.00 0.27 O ATOM 397 CB ARG A 24 9.384 0.337 -11.192 1.00 0.22 C ATOM 398 CG ARG A 24 9.525 -1.032 -11.836 1.00 0.23 C ATOM 399 CD ARG A 24 8.740 -1.112 -13.133 1.00 0.25 C ATOM 400 NE ARG A 24 9.188 -0.119 -14.108 1.00 0.35 N ATOM 401 CZ ARG A 24 8.472 0.261 -15.165 1.00 0.47 C ATOM 402 NH1 ARG A 24 7.243 -0.207 -15.349 1.00 0.41 N ATOM 403 NH2 ARG A 24 8.980 1.133 -16.026 1.00 0.71 N ATOM 0 H ARG A 24 8.308 -0.550 -9.145 1.00 0.18 H new ATOM 0 HA ARG A 24 11.053 0.082 -9.859 1.00 0.21 H new ATOM 0 HB2 ARG A 24 8.325 0.583 -11.111 1.00 0.22 H new ATOM 0 HB3 ARG A 24 9.836 1.084 -11.844 1.00 0.22 H new ATOM 0 HG2 ARG A 24 10.577 -1.238 -12.031 1.00 0.23 H new ATOM 0 HG3 ARG A 24 9.173 -1.799 -11.147 1.00 0.23 H new ATOM 0 HD2 ARG A 24 8.844 -2.110 -13.558 1.00 0.25 H new ATOM 0 HD3 ARG A 24 7.680 -0.963 -12.925 1.00 0.25 H new ATOM 0 HE ARG A 24 10.104 0.308 -13.971 1.00 0.35 H new ATOM 0 HH11 ARG A 24 6.841 -0.862 -14.678 1.00 0.41 H new ATOM 0 HH12 ARG A 24 6.701 0.089 -16.161 1.00 0.41 H new ATOM 0 HH21 ARG A 24 9.916 1.510 -15.878 1.00 0.71 H new ATOM 0 HH22 ARG A 24 8.435 1.426 -16.837 1.00 0.71 H new ATOM 417 N ALA A 25 8.899 2.301 -8.789 1.00 0.21 N ATOM 418 CA ALA A 25 8.730 3.672 -8.329 1.00 0.23 C ATOM 419 C ALA A 25 9.617 3.941 -7.134 1.00 0.25 C ATOM 420 O ALA A 25 10.367 4.913 -7.098 1.00 0.26 O ATOM 421 CB ALA A 25 7.282 3.936 -7.957 1.00 0.23 C ATOM 0 H ALA A 25 8.082 1.708 -8.644 1.00 0.21 H new ATOM 0 HA ALA A 25 9.014 4.339 -9.143 1.00 0.23 H new ATOM 0 HB1 ALA A 25 7.176 4.966 -7.616 1.00 0.23 H new ATOM 0 HB2 ALA A 25 6.647 3.775 -8.829 1.00 0.23 H new ATOM 0 HB3 ALA A 25 6.982 3.257 -7.159 1.00 0.23 H new ATOM 427 N LEU A 26 9.529 3.050 -6.170 1.00 0.30 N ATOM 428 CA LEU A 26 10.245 3.202 -4.923 1.00 0.36 C ATOM 429 C LEU A 26 11.697 2.766 -5.067 1.00 0.39 C ATOM 430 O LEU A 26 12.575 3.575 -5.375 1.00 0.52 O ATOM 431 CB LEU A 26 9.555 2.383 -3.830 1.00 0.33 C ATOM 432 CG LEU A 26 8.173 2.882 -3.402 1.00 0.37 C ATOM 433 CD1 LEU A 26 7.480 1.848 -2.528 1.00 0.37 C ATOM 434 CD2 LEU A 26 8.295 4.199 -2.654 1.00 0.47 C ATOM 0 H LEU A 26 8.962 2.204 -6.228 1.00 0.30 H new ATOM 0 HA LEU A 26 10.237 4.256 -4.647 1.00 0.36 H new ATOM 0 HB2 LEU A 26 9.458 1.355 -4.178 1.00 0.33 H new ATOM 0 HB3 LEU A 26 10.202 2.363 -2.953 1.00 0.33 H new ATOM 0 HG LEU A 26 7.573 3.040 -4.298 1.00 0.37 H new ATOM 0 HD11 LEU A 26 6.499 2.220 -2.233 1.00 0.37 H new ATOM 0 HD12 LEU A 26 7.363 0.919 -3.086 1.00 0.37 H new ATOM 0 HD13 LEU A 26 8.081 1.663 -1.637 1.00 0.37 H new ATOM 0 HD21 LEU A 26 7.304 4.541 -2.356 1.00 0.47 H new ATOM 0 HD22 LEU A 26 8.912 4.058 -1.767 1.00 0.47 H new ATOM 0 HD23 LEU A 26 8.757 4.944 -3.302 1.00 0.47 H new ATOM 446 N ASP A 27 11.917 1.470 -4.883 1.00 0.32 N ATOM 447 CA ASP A 27 13.248 0.878 -4.829 1.00 0.41 C ATOM 448 C ASP A 27 13.102 -0.532 -4.280 1.00 0.35 C ATOM 449 O ASP A 27 13.551 -0.839 -3.183 1.00 0.57 O ATOM 450 CB ASP A 27 14.199 1.703 -3.940 1.00 0.60 C ATOM 451 CG ASP A 27 15.584 1.092 -3.806 1.00 0.85 C ATOM 452 OD1 ASP A 27 16.079 0.499 -4.782 1.00 1.72 O ATOM 453 OD2 ASP A 27 16.183 1.212 -2.711 1.00 1.36 O ATOM 0 H ASP A 27 11.165 0.791 -4.765 1.00 0.32 H new ATOM 0 HA ASP A 27 13.683 0.863 -5.828 1.00 0.41 H new ATOM 0 HB2 ASP A 27 14.292 2.707 -4.354 1.00 0.60 H new ATOM 0 HB3 ASP A 27 13.759 1.807 -2.948 1.00 0.60 H new ATOM 458 N ILE A 28 12.367 -1.355 -5.007 1.00 0.22 N ATOM 459 CA ILE A 28 12.159 -2.739 -4.610 1.00 0.18 C ATOM 460 C ILE A 28 12.595 -3.681 -5.722 1.00 0.22 C ATOM 461 O ILE A 28 12.266 -3.470 -6.890 1.00 0.28 O ATOM 462 CB ILE A 28 10.683 -3.046 -4.244 1.00 0.15 C ATOM 463 CG1 ILE A 28 10.247 -2.322 -2.965 1.00 0.14 C ATOM 464 CG2 ILE A 28 10.474 -4.542 -4.085 1.00 0.16 C ATOM 465 CD1 ILE A 28 9.882 -0.873 -3.169 1.00 0.19 C ATOM 0 H ILE A 28 11.903 -1.090 -5.876 1.00 0.22 H new ATOM 0 HA ILE A 28 12.765 -2.895 -3.718 1.00 0.18 H new ATOM 0 HB ILE A 28 10.066 -2.679 -5.064 1.00 0.15 H new ATOM 0 HG12 ILE A 28 9.390 -2.844 -2.539 1.00 0.14 H new ATOM 0 HG13 ILE A 28 11.053 -2.383 -2.234 1.00 0.14 H new ATOM 0 HG21 ILE A 28 9.433 -4.739 -3.828 1.00 0.16 H new ATOM 0 HG22 ILE A 28 10.718 -5.045 -5.021 1.00 0.16 H new ATOM 0 HG23 ILE A 28 11.120 -4.917 -3.292 1.00 0.16 H new ATOM 0 HD11 ILE A 28 9.585 -0.435 -2.216 1.00 0.19 H new ATOM 0 HD12 ILE A 28 10.743 -0.333 -3.564 1.00 0.19 H new ATOM 0 HD13 ILE A 28 9.054 -0.802 -3.874 1.00 0.19 H new ATOM 477 N ALA A 29 13.331 -4.716 -5.355 1.00 0.21 N ATOM 478 CA ALA A 29 13.798 -5.690 -6.325 1.00 0.25 C ATOM 479 C ALA A 29 12.959 -6.955 -6.267 1.00 0.25 C ATOM 480 O ALA A 29 12.358 -7.367 -7.260 1.00 0.30 O ATOM 481 CB ALA A 29 15.270 -6.007 -6.105 1.00 0.30 C ATOM 0 H ALA A 29 13.617 -4.903 -4.394 1.00 0.21 H new ATOM 0 HA ALA A 29 13.689 -5.257 -7.319 1.00 0.25 H new ATOM 0 HB1 ALA A 29 15.599 -6.739 -6.843 1.00 0.30 H new ATOM 0 HB2 ALA A 29 15.858 -5.096 -6.211 1.00 0.30 H new ATOM 0 HB3 ALA A 29 15.409 -6.414 -5.103 1.00 0.30 H new ATOM 487 N ILE A 30 12.898 -7.550 -5.092 1.00 0.23 N ATOM 488 CA ILE A 30 12.156 -8.788 -4.908 1.00 0.25 C ATOM 489 C ILE A 30 11.449 -8.767 -3.560 1.00 0.22 C ATOM 490 O ILE A 30 10.383 -9.344 -3.406 1.00 0.22 O ATOM 491 CB ILE A 30 13.085 -10.029 -5.045 1.00 0.29 C ATOM 492 CG1 ILE A 30 12.285 -11.346 -5.062 1.00 0.32 C ATOM 493 CG2 ILE A 30 14.140 -10.043 -3.942 1.00 0.30 C ATOM 494 CD1 ILE A 30 12.018 -11.950 -3.698 1.00 0.33 C ATOM 0 H ILE A 30 13.352 -7.199 -4.249 1.00 0.23 H new ATOM 0 HA ILE A 30 11.404 -8.867 -5.693 1.00 0.25 H new ATOM 0 HB ILE A 30 13.595 -9.949 -6.005 1.00 0.29 H new ATOM 0 HG12 ILE A 30 11.330 -11.168 -5.557 1.00 0.32 H new ATOM 0 HG13 ILE A 30 12.826 -12.075 -5.666 1.00 0.32 H new ATOM 0 HG21 ILE A 30 14.777 -10.920 -4.059 1.00 0.30 H new ATOM 0 HG22 ILE A 30 14.748 -9.141 -4.009 1.00 0.30 H new ATOM 0 HG23 ILE A 30 13.649 -10.078 -2.969 1.00 0.30 H new ATOM 0 HD11 ILE A 30 11.450 -12.873 -3.814 1.00 0.33 H new ATOM 0 HD12 ILE A 30 12.965 -12.167 -3.204 1.00 0.33 H new ATOM 0 HD13 ILE A 30 11.447 -11.245 -3.094 1.00 0.33 H new ATOM 506 N LYS A 31 12.054 -8.081 -2.601 1.00 0.21 N ATOM 507 CA LYS A 31 11.456 -7.867 -1.293 1.00 0.19 C ATOM 508 C LYS A 31 11.659 -6.419 -0.878 1.00 0.17 C ATOM 509 O LYS A 31 10.707 -5.697 -0.583 1.00 0.17 O ATOM 510 CB LYS A 31 12.088 -8.782 -0.237 1.00 0.22 C ATOM 511 CG LYS A 31 12.032 -10.267 -0.566 1.00 0.26 C ATOM 512 CD LYS A 31 11.784 -11.093 0.684 1.00 0.35 C ATOM 513 CE LYS A 31 10.356 -10.922 1.169 1.00 0.47 C ATOM 514 NZ LYS A 31 9.481 -12.047 0.744 1.00 1.46 N ATOM 0 H LYS A 31 12.975 -7.657 -2.709 1.00 0.21 H new ATOM 0 HA LYS A 31 10.393 -8.099 -1.362 1.00 0.19 H new ATOM 0 HB2 LYS A 31 13.130 -8.493 -0.102 1.00 0.22 H new ATOM 0 HB3 LYS A 31 11.585 -8.616 0.716 1.00 0.22 H new ATOM 0 HG2 LYS A 31 11.240 -10.453 -1.292 1.00 0.26 H new ATOM 0 HG3 LYS A 31 12.969 -10.576 -1.030 1.00 0.26 H new ATOM 0 HD2 LYS A 31 11.978 -12.145 0.475 1.00 0.35 H new ATOM 0 HD3 LYS A 31 12.478 -10.791 1.468 1.00 0.35 H new ATOM 0 HE2 LYS A 31 10.349 -10.849 2.257 1.00 0.47 H new ATOM 0 HE3 LYS A 31 9.953 -9.985 0.785 1.00 0.47 H new ATOM 0 HZ1 LYS A 31 8.560 -11.969 1.220 1.00 1.46 H new ATOM 0 HZ2 LYS A 31 9.343 -12.009 -0.286 1.00 1.46 H new ATOM 0 HZ3 LYS A 31 9.928 -12.950 1.000 1.00 1.46 H new ATOM 528 N ASP A 32 12.923 -6.011 -0.908 1.00 0.17 N ATOM 529 CA ASP A 32 13.359 -4.691 -0.467 1.00 0.16 C ATOM 530 C ASP A 32 12.633 -4.189 0.786 1.00 0.17 C ATOM 531 O ASP A 32 12.784 -4.784 1.848 1.00 0.25 O ATOM 532 CB ASP A 32 13.285 -3.707 -1.624 1.00 0.16 C ATOM 533 CG ASP A 32 14.624 -3.597 -2.316 1.00 0.20 C ATOM 534 OD1 ASP A 32 14.867 -4.371 -3.257 1.00 1.18 O ATOM 535 OD2 ASP A 32 15.448 -2.756 -1.902 1.00 1.05 O ATOM 0 H ASP A 32 13.686 -6.598 -1.245 1.00 0.17 H new ATOM 0 HA ASP A 32 14.400 -4.779 -0.156 1.00 0.16 H new ATOM 0 HB2 ASP A 32 12.527 -4.032 -2.337 1.00 0.16 H new ATOM 0 HB3 ASP A 32 12.978 -2.728 -1.256 1.00 0.16 H new ATOM 540 N SER A 33 11.870 -3.096 0.684 1.00 0.13 N ATOM 541 CA SER A 33 11.190 -2.522 1.856 1.00 0.13 C ATOM 542 C SER A 33 10.061 -1.585 1.433 1.00 0.14 C ATOM 543 O SER A 33 10.228 -0.787 0.515 1.00 0.18 O ATOM 544 CB SER A 33 12.176 -1.731 2.727 1.00 0.17 C ATOM 545 OG SER A 33 13.341 -2.482 3.020 1.00 0.21 O ATOM 0 H SER A 33 11.707 -2.593 -0.188 1.00 0.13 H new ATOM 0 HA SER A 33 10.779 -3.355 2.426 1.00 0.13 H new ATOM 0 HB2 SER A 33 12.456 -0.811 2.214 1.00 0.17 H new ATOM 0 HB3 SER A 33 11.687 -1.441 3.657 1.00 0.17 H new ATOM 0 HG SER A 33 13.130 -3.439 2.990 1.00 0.21 H new ATOM 551 N ILE A 34 8.913 -1.685 2.102 1.00 0.13 N ATOM 552 CA ILE A 34 7.796 -0.777 1.854 1.00 0.15 C ATOM 553 C ILE A 34 7.152 -0.372 3.179 1.00 0.13 C ATOM 554 O ILE A 34 6.427 -1.155 3.782 1.00 0.14 O ATOM 555 CB ILE A 34 6.692 -1.398 0.958 1.00 0.20 C ATOM 556 CG1 ILE A 34 7.261 -2.031 -0.318 1.00 0.19 C ATOM 557 CG2 ILE A 34 5.669 -0.339 0.590 1.00 0.28 C ATOM 558 CD1 ILE A 34 7.773 -3.440 -0.121 1.00 0.19 C ATOM 0 H ILE A 34 8.733 -2.387 2.820 1.00 0.13 H new ATOM 0 HA ILE A 34 8.215 0.083 1.332 1.00 0.15 H new ATOM 0 HB ILE A 34 6.218 -2.193 1.534 1.00 0.20 H new ATOM 0 HG12 ILE A 34 6.487 -2.039 -1.085 1.00 0.19 H new ATOM 0 HG13 ILE A 34 8.073 -1.407 -0.691 1.00 0.19 H new ATOM 0 HG21 ILE A 34 4.897 -0.782 -0.039 1.00 0.28 H new ATOM 0 HG22 ILE A 34 5.214 0.058 1.497 1.00 0.28 H new ATOM 0 HG23 ILE A 34 6.160 0.468 0.047 1.00 0.28 H new ATOM 0 HD11 ILE A 34 8.160 -3.822 -1.066 1.00 0.19 H new ATOM 0 HD12 ILE A 34 8.570 -3.437 0.623 1.00 0.19 H new ATOM 0 HD13 ILE A 34 6.959 -4.078 0.222 1.00 0.19 H new ATOM 570 N GLU A 35 7.436 0.836 3.638 1.00 0.14 N ATOM 571 CA GLU A 35 6.861 1.353 4.877 1.00 0.13 C ATOM 572 C GLU A 35 5.668 2.236 4.546 1.00 0.15 C ATOM 573 O GLU A 35 5.720 3.021 3.600 1.00 0.20 O ATOM 574 CB GLU A 35 7.921 2.137 5.662 1.00 0.16 C ATOM 575 CG GLU A 35 7.401 2.784 6.935 1.00 0.28 C ATOM 576 CD GLU A 35 8.480 3.538 7.687 1.00 0.45 C ATOM 577 OE1 GLU A 35 8.856 4.646 7.245 1.00 1.08 O ATOM 578 OE2 GLU A 35 8.958 3.023 8.721 1.00 1.31 O ATOM 0 H GLU A 35 8.067 1.485 3.168 1.00 0.14 H new ATOM 0 HA GLU A 35 6.524 0.524 5.500 1.00 0.13 H new ATOM 0 HB2 GLU A 35 8.739 1.464 5.918 1.00 0.16 H new ATOM 0 HB3 GLU A 35 8.335 2.912 5.017 1.00 0.16 H new ATOM 0 HG2 GLU A 35 6.591 3.469 6.685 1.00 0.28 H new ATOM 0 HG3 GLU A 35 6.980 2.015 7.583 1.00 0.28 H new ATOM 585 N PHE A 36 4.589 2.107 5.306 1.00 0.16 N ATOM 586 CA PHE A 36 3.378 2.840 4.990 1.00 0.17 C ATOM 587 C PHE A 36 2.920 3.743 6.120 1.00 0.18 C ATOM 588 O PHE A 36 3.164 3.496 7.306 1.00 0.19 O ATOM 589 CB PHE A 36 2.226 1.928 4.542 1.00 0.20 C ATOM 590 CG PHE A 36 2.370 0.478 4.895 1.00 0.17 C ATOM 591 CD1 PHE A 36 3.250 -0.335 4.200 1.00 1.16 C ATOM 592 CD2 PHE A 36 1.599 -0.079 5.898 1.00 1.25 C ATOM 593 CE1 PHE A 36 3.362 -1.674 4.506 1.00 1.13 C ATOM 594 CE2 PHE A 36 1.710 -1.417 6.209 1.00 1.33 C ATOM 595 CZ PHE A 36 2.591 -2.213 5.512 1.00 0.41 C ATOM 0 H PHE A 36 4.530 1.511 6.132 1.00 0.16 H new ATOM 0 HA PHE A 36 3.651 3.474 4.146 1.00 0.17 H new ATOM 0 HB2 PHE A 36 1.301 2.300 4.982 1.00 0.20 H new ATOM 0 HB3 PHE A 36 2.121 2.011 3.460 1.00 0.20 H new ATOM 0 HD1 PHE A 36 3.855 0.085 3.410 1.00 1.16 H new ATOM 0 HD2 PHE A 36 0.903 0.541 6.443 1.00 1.25 H new ATOM 0 HE1 PHE A 36 4.052 -2.299 3.959 1.00 1.13 H new ATOM 0 HE2 PHE A 36 1.107 -1.841 6.998 1.00 1.33 H new ATOM 0 HZ PHE A 36 2.678 -3.262 5.755 1.00 0.41 H new ATOM 605 N PHE A 37 2.260 4.805 5.704 1.00 0.21 N ATOM 606 CA PHE A 37 1.746 5.834 6.575 1.00 0.25 C ATOM 607 C PHE A 37 0.241 5.767 6.498 1.00 0.32 C ATOM 608 O PHE A 37 -0.306 5.124 5.605 1.00 0.65 O ATOM 609 CB PHE A 37 2.170 7.237 6.092 1.00 0.36 C ATOM 610 CG PHE A 37 3.598 7.427 5.600 1.00 0.76 C ATOM 611 CD1 PHE A 37 4.518 6.388 5.541 1.00 1.71 C ATOM 612 CD2 PHE A 37 4.001 8.682 5.166 1.00 1.41 C ATOM 613 CE1 PHE A 37 5.795 6.596 5.064 1.00 2.22 C ATOM 614 CE2 PHE A 37 5.282 8.896 4.691 1.00 1.87 C ATOM 615 CZ PHE A 37 6.178 7.850 4.639 1.00 2.02 C ATOM 0 H PHE A 37 2.062 4.978 4.718 1.00 0.21 H new ATOM 0 HA PHE A 37 2.128 5.676 7.584 1.00 0.25 H new ATOM 0 HB2 PHE A 37 1.498 7.528 5.285 1.00 0.36 H new ATOM 0 HB3 PHE A 37 2.005 7.936 6.912 1.00 0.36 H new ATOM 0 HD1 PHE A 37 4.229 5.402 5.874 1.00 1.71 H new ATOM 0 HD2 PHE A 37 3.303 9.505 5.200 1.00 1.41 H new ATOM 0 HE1 PHE A 37 6.496 5.775 5.023 1.00 2.22 H new ATOM 0 HE2 PHE A 37 5.580 9.881 4.362 1.00 1.87 H new ATOM 0 HZ PHE A 37 7.178 8.013 4.266 1.00 2.02 H new ATOM 625 N VAL A 38 -0.422 6.415 7.416 1.00 0.20 N ATOM 626 CA VAL A 38 -1.846 6.629 7.285 1.00 0.18 C ATOM 627 C VAL A 38 -2.181 8.078 7.589 1.00 0.18 C ATOM 628 O VAL A 38 -1.830 8.612 8.641 1.00 0.23 O ATOM 629 CB VAL A 38 -2.697 5.666 8.143 1.00 0.21 C ATOM 630 CG1 VAL A 38 -2.231 5.638 9.592 1.00 0.27 C ATOM 631 CG2 VAL A 38 -4.162 6.059 8.057 1.00 0.23 C ATOM 0 H VAL A 38 -0.006 6.805 8.262 1.00 0.20 H new ATOM 0 HA VAL A 38 -2.107 6.405 6.251 1.00 0.18 H new ATOM 0 HB VAL A 38 -2.572 4.659 7.746 1.00 0.21 H new ATOM 0 HG11 VAL A 38 -2.855 4.949 10.162 1.00 0.27 H new ATOM 0 HG12 VAL A 38 -1.193 5.307 9.634 1.00 0.27 H new ATOM 0 HG13 VAL A 38 -2.311 6.638 10.019 1.00 0.27 H new ATOM 0 HG21 VAL A 38 -4.758 5.377 8.664 1.00 0.23 H new ATOM 0 HG22 VAL A 38 -4.288 7.077 8.426 1.00 0.23 H new ATOM 0 HG23 VAL A 38 -4.493 6.005 7.020 1.00 0.23 H new ATOM 641 N ASP A 39 -2.857 8.699 6.649 1.00 0.17 N ATOM 642 CA ASP A 39 -3.133 10.122 6.706 1.00 0.21 C ATOM 643 C ASP A 39 -4.613 10.365 6.499 1.00 0.23 C ATOM 644 O ASP A 39 -5.118 10.244 5.382 1.00 0.25 O ATOM 645 CB ASP A 39 -2.317 10.865 5.648 1.00 0.25 C ATOM 646 CG ASP A 39 -2.659 12.338 5.577 1.00 0.30 C ATOM 647 OD1 ASP A 39 -2.398 13.064 6.555 1.00 1.16 O ATOM 648 OD2 ASP A 39 -3.180 12.779 4.530 1.00 1.13 O ATOM 0 H ASP A 39 -3.232 8.234 5.822 1.00 0.17 H new ATOM 0 HA ASP A 39 -2.846 10.500 7.687 1.00 0.21 H new ATOM 0 HB2 ASP A 39 -1.255 10.753 5.868 1.00 0.25 H new ATOM 0 HB3 ASP A 39 -2.491 10.408 4.674 1.00 0.25 H new ATOM 653 N GLY A 40 -5.307 10.674 7.581 1.00 0.26 N ATOM 654 CA GLY A 40 -6.741 10.846 7.523 1.00 0.31 C ATOM 655 C GLY A 40 -7.444 9.517 7.335 1.00 0.27 C ATOM 656 O GLY A 40 -7.738 8.819 8.309 1.00 0.32 O ATOM 0 H GLY A 40 -4.899 10.810 8.506 1.00 0.26 H new ATOM 0 HA2 GLY A 40 -7.091 11.319 8.441 1.00 0.31 H new ATOM 0 HA3 GLY A 40 -6.997 11.515 6.702 1.00 0.31 H new ATOM 660 N ASP A 41 -7.689 9.159 6.082 1.00 0.25 N ATOM 661 CA ASP A 41 -8.313 7.884 5.746 1.00 0.25 C ATOM 662 C ASP A 41 -7.461 7.140 4.731 1.00 0.22 C ATOM 663 O ASP A 41 -7.836 6.078 4.257 1.00 0.30 O ATOM 664 CB ASP A 41 -9.707 8.093 5.139 1.00 0.36 C ATOM 665 CG ASP A 41 -10.623 8.923 6.013 1.00 1.20 C ATOM 666 OD1 ASP A 41 -11.036 8.437 7.087 1.00 1.84 O ATOM 667 OD2 ASP A 41 -10.948 10.066 5.621 1.00 2.00 O ATOM 0 H ASP A 41 -7.463 9.739 5.274 1.00 0.25 H new ATOM 0 HA ASP A 41 -8.402 7.308 6.667 1.00 0.25 H new ATOM 0 HB2 ASP A 41 -9.604 8.579 4.169 1.00 0.36 H new ATOM 0 HB3 ASP A 41 -10.168 7.121 4.962 1.00 0.36 H new ATOM 672 N LYS A 42 -6.307 7.706 4.417 1.00 0.21 N ATOM 673 CA LYS A 42 -5.492 7.255 3.298 1.00 0.24 C ATOM 674 C LYS A 42 -4.214 6.573 3.778 1.00 0.17 C ATOM 675 O LYS A 42 -3.758 6.819 4.891 1.00 0.17 O ATOM 676 CB LYS A 42 -5.164 8.476 2.429 1.00 0.36 C ATOM 677 CG LYS A 42 -3.876 8.366 1.633 1.00 0.31 C ATOM 678 CD LYS A 42 -3.560 9.668 0.910 1.00 0.31 C ATOM 679 CE LYS A 42 -3.335 10.810 1.893 1.00 0.73 C ATOM 680 NZ LYS A 42 -3.091 12.105 1.204 1.00 1.05 N ATOM 0 H LYS A 42 -5.908 8.492 4.930 1.00 0.21 H new ATOM 0 HA LYS A 42 -6.044 6.515 2.718 1.00 0.24 H new ATOM 0 HB2 LYS A 42 -5.989 8.643 1.736 1.00 0.36 H new ATOM 0 HB3 LYS A 42 -5.104 9.355 3.071 1.00 0.36 H new ATOM 0 HG2 LYS A 42 -3.054 8.110 2.301 1.00 0.31 H new ATOM 0 HG3 LYS A 42 -3.962 7.557 0.908 1.00 0.31 H new ATOM 0 HD2 LYS A 42 -2.671 9.537 0.293 1.00 0.31 H new ATOM 0 HD3 LYS A 42 -4.380 9.921 0.238 1.00 0.31 H new ATOM 0 HE2 LYS A 42 -4.205 10.904 2.543 1.00 0.73 H new ATOM 0 HE3 LYS A 42 -2.484 10.575 2.532 1.00 0.73 H new ATOM 0 HZ1 LYS A 42 -2.943 12.852 1.912 1.00 1.05 H new ATOM 0 HZ2 LYS A 42 -2.246 12.025 0.604 1.00 1.05 H new ATOM 0 HZ3 LYS A 42 -3.913 12.345 0.614 1.00 1.05 H new ATOM 694 N ILE A 43 -3.634 5.729 2.929 1.00 0.16 N ATOM 695 CA ILE A 43 -2.387 5.049 3.260 1.00 0.14 C ATOM 696 C ILE A 43 -1.268 5.537 2.336 1.00 0.15 C ATOM 697 O ILE A 43 -1.495 5.781 1.149 1.00 0.17 O ATOM 698 CB ILE A 43 -2.535 3.511 3.148 1.00 0.15 C ATOM 699 CG1 ILE A 43 -3.575 2.992 4.150 1.00 0.14 C ATOM 700 CG2 ILE A 43 -1.198 2.817 3.368 1.00 0.18 C ATOM 701 CD1 ILE A 43 -3.101 2.986 5.593 1.00 0.15 C ATOM 0 H ILE A 43 -4.008 5.500 2.008 1.00 0.16 H new ATOM 0 HA ILE A 43 -2.135 5.287 4.294 1.00 0.14 H new ATOM 0 HB ILE A 43 -2.878 3.281 2.139 1.00 0.15 H new ATOM 0 HG12 ILE A 43 -4.472 3.607 4.077 1.00 0.14 H new ATOM 0 HG13 ILE A 43 -3.860 1.978 3.869 1.00 0.14 H new ATOM 0 HG21 ILE A 43 -1.330 1.738 3.284 1.00 0.18 H new ATOM 0 HG22 ILE A 43 -0.485 3.155 2.616 1.00 0.18 H new ATOM 0 HG23 ILE A 43 -0.821 3.060 4.361 1.00 0.18 H new ATOM 0 HD11 ILE A 43 -3.895 2.605 6.235 1.00 0.15 H new ATOM 0 HD12 ILE A 43 -2.223 2.347 5.685 1.00 0.15 H new ATOM 0 HD13 ILE A 43 -2.845 4.001 5.896 1.00 0.15 H new ATOM 713 N ILE A 44 -0.067 5.681 2.884 1.00 0.14 N ATOM 714 CA ILE A 44 1.054 6.276 2.154 1.00 0.16 C ATOM 715 C ILE A 44 2.247 5.325 2.118 1.00 0.16 C ATOM 716 O ILE A 44 2.825 5.032 3.152 1.00 0.22 O ATOM 717 CB ILE A 44 1.513 7.587 2.831 1.00 0.20 C ATOM 718 CG1 ILE A 44 0.307 8.429 3.258 1.00 0.28 C ATOM 719 CG2 ILE A 44 2.415 8.378 1.893 1.00 0.22 C ATOM 720 CD1 ILE A 44 0.675 9.733 3.937 1.00 0.27 C ATOM 0 H ILE A 44 0.159 5.393 3.836 1.00 0.14 H new ATOM 0 HA ILE A 44 0.707 6.477 1.141 1.00 0.16 H new ATOM 0 HB ILE A 44 2.081 7.332 3.726 1.00 0.20 H new ATOM 0 HG12 ILE A 44 -0.300 8.647 2.379 1.00 0.28 H new ATOM 0 HG13 ILE A 44 -0.312 7.841 3.935 1.00 0.28 H new ATOM 0 HG21 ILE A 44 2.731 9.299 2.383 1.00 0.22 H new ATOM 0 HG22 ILE A 44 3.292 7.781 1.642 1.00 0.22 H new ATOM 0 HG23 ILE A 44 1.869 8.621 0.982 1.00 0.22 H new ATOM 0 HD11 ILE A 44 -0.233 10.271 4.209 1.00 0.27 H new ATOM 0 HD12 ILE A 44 1.255 9.524 4.836 1.00 0.27 H new ATOM 0 HD13 ILE A 44 1.268 10.343 3.256 1.00 0.27 H new ATOM 732 N LEU A 45 2.630 4.859 0.943 1.00 0.15 N ATOM 733 CA LEU A 45 3.722 3.898 0.837 1.00 0.17 C ATOM 734 C LEU A 45 5.031 4.550 0.403 1.00 0.20 C ATOM 735 O LEU A 45 5.087 5.288 -0.586 1.00 0.26 O ATOM 736 CB LEU A 45 3.357 2.767 -0.118 1.00 0.21 C ATOM 737 CG LEU A 45 2.651 1.573 0.531 1.00 0.21 C ATOM 738 CD1 LEU A 45 1.313 1.965 1.130 1.00 0.18 C ATOM 739 CD2 LEU A 45 2.465 0.466 -0.480 1.00 0.32 C ATOM 0 H LEU A 45 2.208 5.125 0.054 1.00 0.15 H new ATOM 0 HA LEU A 45 3.877 3.488 1.835 1.00 0.17 H new ATOM 0 HB2 LEU A 45 2.714 3.167 -0.902 1.00 0.21 H new ATOM 0 HB3 LEU A 45 4.267 2.412 -0.602 1.00 0.21 H new ATOM 0 HG LEU A 45 3.284 1.218 1.344 1.00 0.21 H new ATOM 0 HD11 LEU A 45 0.845 1.089 1.580 1.00 0.18 H new ATOM 0 HD12 LEU A 45 1.466 2.728 1.894 1.00 0.18 H new ATOM 0 HD13 LEU A 45 0.666 2.360 0.347 1.00 0.18 H new ATOM 0 HD21 LEU A 45 1.962 -0.378 -0.007 1.00 0.32 H new ATOM 0 HD22 LEU A 45 1.860 0.830 -1.311 1.00 0.32 H new ATOM 0 HD23 LEU A 45 3.438 0.146 -0.852 1.00 0.32 H new ATOM 751 N LYS A 46 6.077 4.250 1.165 1.00 0.19 N ATOM 752 CA LYS A 46 7.417 4.770 0.935 1.00 0.30 C ATOM 753 C LYS A 46 8.452 3.687 1.245 1.00 0.22 C ATOM 754 O LYS A 46 8.292 2.928 2.195 1.00 0.30 O ATOM 755 CB LYS A 46 7.657 5.984 1.845 1.00 0.52 C ATOM 756 CG LYS A 46 9.097 6.479 1.864 1.00 0.86 C ATOM 757 CD LYS A 46 9.477 7.043 3.230 1.00 1.04 C ATOM 758 CE LYS A 46 9.270 6.010 4.333 1.00 1.30 C ATOM 759 NZ LYS A 46 9.826 6.448 5.641 1.00 2.16 N ATOM 0 H LYS A 46 6.015 3.629 1.972 1.00 0.19 H new ATOM 0 HA LYS A 46 7.513 5.071 -0.108 1.00 0.30 H new ATOM 0 HB2 LYS A 46 7.009 6.799 1.522 1.00 0.52 H new ATOM 0 HB3 LYS A 46 7.361 5.725 2.862 1.00 0.52 H new ATOM 0 HG2 LYS A 46 9.768 5.659 1.608 1.00 0.86 H new ATOM 0 HG3 LYS A 46 9.229 7.248 1.102 1.00 0.86 H new ATOM 0 HD2 LYS A 46 10.520 7.361 3.217 1.00 1.04 H new ATOM 0 HD3 LYS A 46 8.877 7.928 3.440 1.00 1.04 H new ATOM 0 HE2 LYS A 46 8.204 5.812 4.444 1.00 1.30 H new ATOM 0 HE3 LYS A 46 9.740 5.071 4.039 1.00 1.30 H new ATOM 0 HZ1 LYS A 46 9.446 5.846 6.399 1.00 2.16 H new ATOM 0 HZ2 LYS A 46 10.863 6.368 5.622 1.00 2.16 H new ATOM 0 HZ3 LYS A 46 9.559 7.437 5.818 1.00 2.16 H new ATOM 773 N LYS A 47 9.505 3.606 0.447 1.00 0.27 N ATOM 774 CA LYS A 47 10.590 2.673 0.733 1.00 0.28 C ATOM 775 C LYS A 47 11.403 3.217 1.907 1.00 0.25 C ATOM 776 O LYS A 47 11.502 4.428 2.086 1.00 0.32 O ATOM 777 CB LYS A 47 11.469 2.463 -0.514 1.00 0.37 C ATOM 778 CG LYS A 47 12.262 1.157 -0.512 1.00 0.41 C ATOM 779 CD LYS A 47 13.550 1.260 0.288 1.00 0.36 C ATOM 780 CE LYS A 47 14.323 -0.053 0.309 1.00 0.52 C ATOM 781 NZ LYS A 47 14.928 -0.372 -1.009 1.00 0.39 N ATOM 0 H LYS A 47 9.634 4.167 -0.395 1.00 0.27 H new ATOM 0 HA LYS A 47 10.182 1.699 1.002 1.00 0.28 H new ATOM 0 HB2 LYS A 47 10.834 2.488 -1.400 1.00 0.37 H new ATOM 0 HB3 LYS A 47 12.166 3.297 -0.598 1.00 0.37 H new ATOM 0 HG2 LYS A 47 11.644 0.361 -0.098 1.00 0.41 H new ATOM 0 HG3 LYS A 47 12.497 0.877 -1.539 1.00 0.41 H new ATOM 0 HD2 LYS A 47 14.178 2.042 -0.138 1.00 0.36 H new ATOM 0 HD3 LYS A 47 13.318 1.559 1.310 1.00 0.36 H new ATOM 0 HE2 LYS A 47 15.108 0.002 1.063 1.00 0.52 H new ATOM 0 HE3 LYS A 47 13.654 -0.861 0.604 1.00 0.52 H new ATOM 0 HZ1 LYS A 47 15.429 -1.282 -0.950 1.00 0.39 H new ATOM 0 HZ2 LYS A 47 14.180 -0.435 -1.728 1.00 0.39 H new ATOM 0 HZ3 LYS A 47 15.600 0.377 -1.273 1.00 0.39 H new ATOM 795 N TYR A 48 11.974 2.325 2.704 1.00 0.22 N ATOM 796 CA TYR A 48 12.649 2.718 3.936 1.00 0.22 C ATOM 797 C TYR A 48 13.909 3.539 3.641 1.00 0.27 C ATOM 798 O TYR A 48 14.143 4.582 4.248 1.00 0.32 O ATOM 799 CB TYR A 48 13.022 1.465 4.725 1.00 0.23 C ATOM 800 CG TYR A 48 13.401 1.737 6.165 1.00 0.30 C ATOM 801 CD1 TYR A 48 12.423 1.851 7.146 1.00 1.16 C ATOM 802 CD2 TYR A 48 14.731 1.872 6.545 1.00 1.15 C ATOM 803 CE1 TYR A 48 12.759 2.090 8.464 1.00 1.25 C ATOM 804 CE2 TYR A 48 15.074 2.114 7.862 1.00 1.17 C ATOM 805 CZ TYR A 48 14.085 2.221 8.817 1.00 0.58 C ATOM 806 OH TYR A 48 14.423 2.458 10.131 1.00 0.74 O ATOM 0 H TYR A 48 11.984 1.322 2.520 1.00 0.22 H new ATOM 0 HA TYR A 48 11.971 3.340 4.520 1.00 0.22 H new ATOM 0 HB2 TYR A 48 12.181 0.772 4.706 1.00 0.23 H new ATOM 0 HB3 TYR A 48 13.856 0.969 4.228 1.00 0.23 H new ATOM 0 HD1 TYR A 48 11.383 1.751 6.873 1.00 1.16 H new ATOM 0 HD2 TYR A 48 15.508 1.787 5.800 1.00 1.15 H new ATOM 0 HE1 TYR A 48 11.987 2.174 9.214 1.00 1.25 H new ATOM 0 HE2 TYR A 48 16.112 2.219 8.142 1.00 1.17 H new ATOM 0 HH TYR A 48 15.398 2.523 10.211 1.00 0.74 H new ATOM 816 N LYS A 49 14.711 3.025 2.712 1.00 0.33 N ATOM 817 CA LYS A 49 15.984 3.639 2.304 1.00 0.49 C ATOM 818 C LYS A 49 15.861 5.149 2.001 1.00 0.57 C ATOM 819 O LYS A 49 16.607 5.939 2.583 1.00 0.64 O ATOM 820 CB LYS A 49 16.554 2.874 1.097 1.00 0.63 C ATOM 821 CG LYS A 49 17.990 3.232 0.723 1.00 0.91 C ATOM 822 CD LYS A 49 18.067 4.492 -0.128 1.00 2.03 C ATOM 823 CE LYS A 49 19.491 4.792 -0.568 1.00 2.39 C ATOM 824 NZ LYS A 49 20.042 3.719 -1.436 1.00 2.86 N ATOM 0 H LYS A 49 14.498 2.161 2.213 1.00 0.33 H new ATOM 0 HA LYS A 49 16.672 3.564 3.146 1.00 0.49 H new ATOM 0 HB2 LYS A 49 16.505 1.806 1.308 1.00 0.63 H new ATOM 0 HB3 LYS A 49 15.914 3.058 0.234 1.00 0.63 H new ATOM 0 HG2 LYS A 49 18.576 3.373 1.631 1.00 0.91 H new ATOM 0 HG3 LYS A 49 18.440 2.401 0.180 1.00 0.91 H new ATOM 0 HD2 LYS A 49 17.432 4.376 -1.007 1.00 2.03 H new ATOM 0 HD3 LYS A 49 17.676 5.337 0.438 1.00 2.03 H new ATOM 0 HE2 LYS A 49 19.513 5.740 -1.105 1.00 2.39 H new ATOM 0 HE3 LYS A 49 20.125 4.909 0.311 1.00 2.39 H new ATOM 0 HZ1 LYS A 49 20.897 4.066 -1.916 1.00 2.86 H new ATOM 0 HZ2 LYS A 49 20.283 2.891 -0.854 1.00 2.86 H new ATOM 0 HZ3 LYS A 49 19.332 3.448 -2.146 1.00 2.86 H new ATOM 838 N PRO A 50 14.965 5.579 1.073 1.00 0.64 N ATOM 839 CA PRO A 50 14.768 7.007 0.774 1.00 0.86 C ATOM 840 C PRO A 50 14.488 7.820 2.034 1.00 0.91 C ATOM 841 O PRO A 50 13.414 7.714 2.634 1.00 1.81 O ATOM 842 CB PRO A 50 13.556 7.021 -0.159 1.00 1.03 C ATOM 843 CG PRO A 50 13.557 5.679 -0.796 1.00 0.79 C ATOM 844 CD PRO A 50 14.092 4.731 0.239 1.00 0.59 C ATOM 0 HA PRO A 50 15.656 7.458 0.332 1.00 0.86 H new ATOM 0 HB2 PRO A 50 12.633 7.197 0.393 1.00 1.03 H new ATOM 0 HB3 PRO A 50 13.638 7.813 -0.903 1.00 1.03 H new ATOM 0 HG2 PRO A 50 12.552 5.393 -1.105 1.00 0.79 H new ATOM 0 HG3 PRO A 50 14.180 5.672 -1.691 1.00 0.79 H new ATOM 0 HD2 PRO A 50 13.289 4.284 0.826 1.00 0.59 H new ATOM 0 HD3 PRO A 50 14.647 3.912 -0.218 1.00 0.59 H new ATOM 852 N HIS A 51 15.464 8.622 2.437 1.00 0.98 N ATOM 853 CA HIS A 51 15.385 9.341 3.694 1.00 1.17 C ATOM 854 C HIS A 51 14.503 10.576 3.570 1.00 1.76 C ATOM 855 O HIS A 51 14.991 11.692 3.404 1.00 2.56 O ATOM 856 CB HIS A 51 16.784 9.730 4.188 1.00 2.12 C ATOM 857 CG HIS A 51 16.801 10.294 5.579 1.00 2.93 C ATOM 858 ND1 HIS A 51 17.167 11.590 5.863 1.00 3.83 N ATOM 859 CD2 HIS A 51 16.498 9.723 6.767 1.00 3.56 C ATOM 860 CE1 HIS A 51 17.093 11.791 7.164 1.00 4.69 C ATOM 861 NE2 HIS A 51 16.686 10.675 7.738 1.00 4.56 N ATOM 0 H HIS A 51 16.320 8.789 1.908 1.00 0.98 H new ATOM 0 HA HIS A 51 14.931 8.675 4.427 1.00 1.17 H new ATOM 0 HB2 HIS A 51 17.428 8.851 4.155 1.00 2.12 H new ATOM 0 HB3 HIS A 51 17.210 10.464 3.503 1.00 2.12 H new ATOM 0 HD2 HIS A 51 16.169 8.706 6.923 1.00 3.56 H new ATOM 0 HE1 HIS A 51 17.326 12.714 7.674 1.00 4.69 H new ATOM 0 HE2 HIS A 51 16.536 10.542 8.738 1.00 4.56 H new ATOM 870 N GLY A 52 13.202 10.357 3.612 1.00 2.14 N ATOM 871 CA GLY A 52 12.272 11.456 3.705 1.00 3.14 C ATOM 872 C GLY A 52 11.966 11.763 5.150 1.00 2.89 C ATOM 873 O GLY A 52 12.612 12.609 5.765 1.00 3.06 O ATOM 0 H GLY A 52 12.772 9.433 3.583 1.00 2.14 H new ATOM 0 HA2 GLY A 52 12.691 12.338 3.220 1.00 3.14 H new ATOM 0 HA3 GLY A 52 11.352 11.208 3.176 1.00 3.14 H new ATOM 877 N VAL A 53 11.000 11.045 5.696 1.00 2.85 N ATOM 878 CA VAL A 53 10.662 11.159 7.105 1.00 2.75 C ATOM 879 C VAL A 53 9.944 9.895 7.578 1.00 2.07 C ATOM 880 O VAL A 53 9.217 9.251 6.808 1.00 1.96 O ATOM 881 CB VAL A 53 9.795 12.415 7.378 1.00 3.40 C ATOM 882 CG1 VAL A 53 8.420 12.293 6.733 1.00 3.54 C ATOM 883 CG2 VAL A 53 9.686 12.681 8.874 1.00 3.58 C ATOM 0 H VAL A 53 10.432 10.372 5.181 1.00 2.85 H new ATOM 0 HA VAL A 53 11.589 11.270 7.668 1.00 2.75 H new ATOM 0 HB VAL A 53 10.291 13.271 6.920 1.00 3.40 H new ATOM 0 HG11 VAL A 53 7.838 13.190 6.944 1.00 3.54 H new ATOM 0 HG12 VAL A 53 8.533 12.179 5.655 1.00 3.54 H new ATOM 0 HG13 VAL A 53 7.904 11.422 7.138 1.00 3.54 H new ATOM 0 HG21 VAL A 53 9.073 13.567 9.042 1.00 3.58 H new ATOM 0 HG22 VAL A 53 9.226 11.823 9.364 1.00 3.58 H new ATOM 0 HG23 VAL A 53 10.681 12.844 9.288 1.00 3.58 H new ATOM 893 N CYS A 54 10.184 9.517 8.820 1.00 1.91 N ATOM 894 CA CYS A 54 9.542 8.350 9.399 1.00 1.51 C ATOM 895 C CYS A 54 8.957 8.689 10.766 1.00 2.04 C ATOM 896 O CYS A 54 9.211 7.947 11.733 1.00 2.71 O ATOM 897 CB CYS A 54 10.536 7.191 9.510 1.00 1.90 C ATOM 898 SG CYS A 54 12.081 7.616 10.350 1.00 2.87 S ATOM 899 OXT CYS A 54 8.254 9.714 10.872 1.00 2.46 O ATOM 0 H CYS A 54 10.822 10.003 9.450 1.00 1.91 H new ATOM 0 HA CYS A 54 8.728 8.041 8.743 1.00 1.51 H new ATOM 0 HB2 CYS A 54 10.060 6.369 10.044 1.00 1.90 H new ATOM 0 HB3 CYS A 54 10.768 6.829 8.508 1.00 1.90 H new ATOM 0 HG CYS A 54 12.852 6.570 10.395 1.00 2.87 H new TER 905 CYS A 54 ATOM 906 N MET B 1 9.257 5.703 13.112 1.00 2.43 N ATOM 907 CA MET B 1 8.062 5.843 13.972 1.00 1.54 C ATOM 908 C MET B 1 6.804 5.824 13.112 1.00 1.28 C ATOM 909 O MET B 1 6.010 4.889 13.188 1.00 1.95 O ATOM 910 CB MET B 1 8.135 7.143 14.779 1.00 1.98 C ATOM 911 CG MET B 1 6.971 7.339 15.736 1.00 2.66 C ATOM 912 SD MET B 1 7.105 8.866 16.688 1.00 3.87 S ATOM 913 CE MET B 1 5.628 8.760 17.697 1.00 4.74 C ATOM 0 H1 MET B 1 10.023 5.253 13.653 1.00 2.43 H new ATOM 0 H2 MET B 1 9.024 5.114 12.287 1.00 2.43 H new ATOM 0 H3 MET B 1 9.566 6.643 12.791 1.00 2.43 H new ATOM 0 HA MET B 1 8.028 5.007 14.670 1.00 1.54 H new ATOM 0 HB2 MET B 1 9.065 7.155 15.347 1.00 1.98 H new ATOM 0 HB3 MET B 1 8.171 7.986 14.089 1.00 1.98 H new ATOM 0 HG2 MET B 1 6.039 7.348 15.171 1.00 2.66 H new ATOM 0 HG3 MET B 1 6.921 6.492 16.420 1.00 2.66 H new ATOM 0 HE1 MET B 1 5.566 9.635 18.344 1.00 4.74 H new ATOM 0 HE2 MET B 1 4.749 8.722 17.053 1.00 4.74 H new ATOM 0 HE3 MET B 1 5.669 7.859 18.308 1.00 4.74 H new ATOM 925 N LYS B 2 6.641 6.863 12.295 1.00 0.96 N ATOM 926 CA LYS B 2 5.538 6.965 11.336 1.00 0.62 C ATOM 927 C LYS B 2 4.154 6.867 11.972 1.00 0.56 C ATOM 928 O LYS B 2 4.000 6.739 13.188 1.00 0.73 O ATOM 929 CB LYS B 2 5.676 5.908 10.233 1.00 0.60 C ATOM 930 CG LYS B 2 6.715 6.250 9.171 1.00 0.66 C ATOM 931 CD LYS B 2 6.222 7.326 8.206 1.00 0.87 C ATOM 932 CE LYS B 2 6.001 8.663 8.894 1.00 1.74 C ATOM 933 NZ LYS B 2 5.548 9.728 7.963 1.00 2.31 N ATOM 0 H LYS B 2 7.273 7.663 12.278 1.00 0.96 H new ATOM 0 HA LYS B 2 5.616 7.965 10.908 1.00 0.62 H new ATOM 0 HB2 LYS B 2 5.939 4.954 10.690 1.00 0.60 H new ATOM 0 HB3 LYS B 2 4.708 5.774 9.750 1.00 0.60 H new ATOM 0 HG2 LYS B 2 7.629 6.591 9.656 1.00 0.66 H new ATOM 0 HG3 LYS B 2 6.969 5.350 8.610 1.00 0.66 H new ATOM 0 HD2 LYS B 2 6.948 7.450 7.402 1.00 0.87 H new ATOM 0 HD3 LYS B 2 5.290 6.998 7.746 1.00 0.87 H new ATOM 0 HE2 LYS B 2 5.261 8.540 9.685 1.00 1.74 H new ATOM 0 HE3 LYS B 2 6.929 8.977 9.372 1.00 1.74 H new ATOM 0 HZ1 LYS B 2 6.236 10.507 7.966 1.00 2.31 H new ATOM 0 HZ2 LYS B 2 5.470 9.339 7.002 1.00 2.31 H new ATOM 0 HZ3 LYS B 2 4.620 10.085 8.269 1.00 2.31 H new ATOM 947 N SER B 3 3.150 6.964 11.113 1.00 0.42 N ATOM 948 CA SER B 3 1.766 6.817 11.511 1.00 0.40 C ATOM 949 C SER B 3 1.481 5.376 11.916 1.00 0.37 C ATOM 950 O SER B 3 0.904 5.107 12.971 1.00 0.50 O ATOM 951 CB SER B 3 0.871 7.224 10.342 1.00 0.39 C ATOM 952 OG SER B 3 1.199 8.522 9.883 1.00 1.00 O ATOM 0 H SER B 3 3.277 7.148 10.118 1.00 0.42 H new ATOM 0 HA SER B 3 1.563 7.457 12.369 1.00 0.40 H new ATOM 0 HB2 SER B 3 0.981 6.507 9.528 1.00 0.39 H new ATOM 0 HB3 SER B 3 -0.174 7.197 10.652 1.00 0.39 H new ATOM 0 HG SER B 3 0.615 8.761 9.134 1.00 1.00 H new ATOM 958 N ILE B 4 1.897 4.452 11.064 1.00 0.27 N ATOM 959 CA ILE B 4 1.719 3.039 11.336 1.00 0.24 C ATOM 960 C ILE B 4 3.006 2.470 11.919 1.00 0.26 C ATOM 961 O ILE B 4 2.991 1.759 12.923 1.00 0.32 O ATOM 962 CB ILE B 4 1.353 2.261 10.055 1.00 0.22 C ATOM 963 CG1 ILE B 4 0.371 3.073 9.203 1.00 0.27 C ATOM 964 CG2 ILE B 4 0.754 0.909 10.423 1.00 0.23 C ATOM 965 CD1 ILE B 4 -0.027 2.398 7.905 1.00 0.23 C ATOM 0 H ILE B 4 2.360 4.658 10.179 1.00 0.27 H new ATOM 0 HA ILE B 4 0.901 2.931 12.048 1.00 0.24 H new ATOM 0 HB ILE B 4 2.257 2.094 9.469 1.00 0.22 H new ATOM 0 HG12 ILE B 4 -0.527 3.268 9.789 1.00 0.27 H new ATOM 0 HG13 ILE B 4 0.818 4.040 8.975 1.00 0.27 H new ATOM 0 HG21 ILE B 4 0.498 0.365 9.514 1.00 0.23 H new ATOM 0 HG22 ILE B 4 1.480 0.334 10.998 1.00 0.23 H new ATOM 0 HG23 ILE B 4 -0.145 1.060 11.021 1.00 0.23 H new ATOM 0 HD11 ILE B 4 -0.723 3.037 7.361 1.00 0.23 H new ATOM 0 HD12 ILE B 4 0.861 2.228 7.296 1.00 0.23 H new ATOM 0 HD13 ILE B 4 -0.506 1.443 8.123 1.00 0.23 H new ATOM 977 N GLY B 5 4.119 2.812 11.278 1.00 0.27 N ATOM 978 CA GLY B 5 5.423 2.395 11.760 1.00 0.32 C ATOM 979 C GLY B 5 5.727 0.958 11.430 1.00 0.31 C ATOM 980 O GLY B 5 6.375 0.252 12.205 1.00 0.43 O ATOM 0 H GLY B 5 4.140 3.375 10.427 1.00 0.27 H new ATOM 0 HA2 GLY B 5 6.190 3.035 11.323 1.00 0.32 H new ATOM 0 HA3 GLY B 5 5.469 2.534 12.840 1.00 0.32 H new ATOM 984 N VAL B 6 5.259 0.521 10.276 1.00 0.20 N ATOM 985 CA VAL B 6 5.535 -0.821 9.811 1.00 0.16 C ATOM 986 C VAL B 6 6.071 -0.789 8.389 1.00 0.12 C ATOM 987 O VAL B 6 5.526 -0.105 7.519 1.00 0.13 O ATOM 988 CB VAL B 6 4.284 -1.734 9.876 1.00 0.19 C ATOM 989 CG1 VAL B 6 3.853 -1.975 11.313 1.00 0.25 C ATOM 990 CG2 VAL B 6 3.131 -1.144 9.083 1.00 0.22 C ATOM 0 H VAL B 6 4.685 1.079 9.644 1.00 0.20 H new ATOM 0 HA VAL B 6 6.288 -1.241 10.479 1.00 0.16 H new ATOM 0 HB VAL B 6 4.559 -2.690 9.431 1.00 0.19 H new ATOM 0 HG11 VAL B 6 2.973 -2.619 11.326 1.00 0.25 H new ATOM 0 HG12 VAL B 6 4.663 -2.457 11.860 1.00 0.25 H new ATOM 0 HG13 VAL B 6 3.613 -1.023 11.785 1.00 0.25 H new ATOM 0 HG21 VAL B 6 2.268 -1.807 9.148 1.00 0.22 H new ATOM 0 HG22 VAL B 6 2.870 -0.168 9.492 1.00 0.22 H new ATOM 0 HG23 VAL B 6 3.426 -1.033 8.040 1.00 0.22 H new ATOM 1000 N VAL B 7 7.150 -1.515 8.166 1.00 0.12 N ATOM 1001 CA VAL B 7 7.711 -1.657 6.838 1.00 0.12 C ATOM 1002 C VAL B 7 7.527 -3.096 6.377 1.00 0.12 C ATOM 1003 O VAL B 7 7.592 -4.030 7.181 1.00 0.15 O ATOM 1004 CB VAL B 7 9.209 -1.253 6.795 1.00 0.13 C ATOM 1005 CG1 VAL B 7 10.072 -2.214 7.598 1.00 0.16 C ATOM 1006 CG2 VAL B 7 9.703 -1.151 5.361 1.00 0.15 C ATOM 0 H VAL B 7 7.658 -2.018 8.894 1.00 0.12 H new ATOM 0 HA VAL B 7 7.185 -0.981 6.163 1.00 0.12 H new ATOM 0 HB VAL B 7 9.296 -0.270 7.257 1.00 0.13 H new ATOM 0 HG11 VAL B 7 11.114 -1.899 7.544 1.00 0.16 H new ATOM 0 HG12 VAL B 7 9.746 -2.214 8.638 1.00 0.16 H new ATOM 0 HG13 VAL B 7 9.975 -3.219 7.188 1.00 0.16 H new ATOM 0 HG21 VAL B 7 10.755 -0.867 5.358 1.00 0.15 H new ATOM 0 HG22 VAL B 7 9.586 -2.115 4.867 1.00 0.15 H new ATOM 0 HG23 VAL B 7 9.122 -0.398 4.829 1.00 0.15 H new ATOM 1016 N ARG B 8 7.256 -3.268 5.100 1.00 0.12 N ATOM 1017 CA ARG B 8 6.957 -4.576 4.555 1.00 0.13 C ATOM 1018 C ARG B 8 8.023 -5.000 3.580 1.00 0.13 C ATOM 1019 O ARG B 8 8.813 -4.182 3.113 1.00 0.16 O ATOM 1020 CB ARG B 8 5.592 -4.577 3.865 1.00 0.15 C ATOM 1021 CG ARG B 8 4.490 -5.214 4.691 1.00 0.30 C ATOM 1022 CD ARG B 8 4.514 -4.704 6.123 1.00 0.18 C ATOM 1023 NE ARG B 8 3.325 -5.085 6.876 1.00 0.55 N ATOM 1024 CZ ARG B 8 3.307 -5.239 8.198 1.00 0.50 C ATOM 1025 NH1 ARG B 8 4.430 -5.110 8.896 1.00 0.55 N ATOM 1026 NH2 ARG B 8 2.169 -5.535 8.813 1.00 1.09 N ATOM 0 H ARG B 8 7.237 -2.512 4.415 1.00 0.12 H new ATOM 0 HA ARG B 8 6.932 -5.286 5.381 1.00 0.13 H new ATOM 0 HB2 ARG B 8 5.312 -3.550 3.633 1.00 0.15 H new ATOM 0 HB3 ARG B 8 5.675 -5.107 2.916 1.00 0.15 H new ATOM 0 HG2 ARG B 8 3.522 -4.996 4.240 1.00 0.30 H new ATOM 0 HG3 ARG B 8 4.608 -6.298 4.686 1.00 0.30 H new ATOM 0 HD2 ARG B 8 5.399 -5.092 6.628 1.00 0.18 H new ATOM 0 HD3 ARG B 8 4.602 -3.618 6.116 1.00 0.18 H new ATOM 0 HE ARG B 8 2.459 -5.242 6.361 1.00 0.55 H new ATOM 0 HH11 ARG B 8 5.305 -4.893 8.419 1.00 0.55 H new ATOM 0 HH12 ARG B 8 4.417 -5.228 9.909 1.00 0.55 H new ATOM 0 HH21 ARG B 8 1.311 -5.644 8.273 1.00 1.09 H new ATOM 0 HH22 ARG B 8 2.153 -5.654 9.826 1.00 1.09 H new ATOM 1040 N LYS B 9 8.048 -6.280 3.296 1.00 0.13 N ATOM 1041 CA LYS B 9 8.980 -6.836 2.344 1.00 0.14 C ATOM 1042 C LYS B 9 8.193 -7.502 1.232 1.00 0.17 C ATOM 1043 O LYS B 9 7.376 -8.386 1.496 1.00 0.21 O ATOM 1044 CB LYS B 9 9.902 -7.846 3.042 1.00 0.19 C ATOM 1045 CG LYS B 9 10.560 -7.298 4.307 1.00 0.54 C ATOM 1046 CD LYS B 9 11.314 -6.000 4.040 1.00 0.26 C ATOM 1047 CE LYS B 9 11.867 -5.381 5.313 1.00 0.79 C ATOM 1048 NZ LYS B 9 12.885 -6.241 5.970 1.00 1.16 N ATOM 0 H LYS B 9 7.423 -6.966 3.718 1.00 0.13 H new ATOM 0 HA LYS B 9 9.604 -6.048 1.923 1.00 0.14 H new ATOM 0 HB2 LYS B 9 9.326 -8.735 3.298 1.00 0.19 H new ATOM 0 HB3 LYS B 9 10.679 -8.159 2.344 1.00 0.19 H new ATOM 0 HG2 LYS B 9 9.798 -7.125 5.067 1.00 0.54 H new ATOM 0 HG3 LYS B 9 11.248 -8.041 4.709 1.00 0.54 H new ATOM 0 HD2 LYS B 9 12.133 -6.194 3.348 1.00 0.26 H new ATOM 0 HD3 LYS B 9 10.647 -5.289 3.553 1.00 0.26 H new ATOM 0 HE2 LYS B 9 12.310 -4.413 5.079 1.00 0.79 H new ATOM 0 HE3 LYS B 9 11.048 -5.197 6.009 1.00 0.79 H new ATOM 0 HZ1 LYS B 9 13.279 -5.745 6.795 1.00 1.16 H new ATOM 0 HZ2 LYS B 9 12.441 -7.129 6.280 1.00 1.16 H new ATOM 0 HZ3 LYS B 9 13.648 -6.452 5.296 1.00 1.16 H new ATOM 1062 N VAL B 10 8.406 -7.048 0.002 1.00 0.16 N ATOM 1063 CA VAL B 10 7.698 -7.595 -1.141 1.00 0.18 C ATOM 1064 C VAL B 10 7.919 -9.099 -1.223 1.00 0.20 C ATOM 1065 O VAL B 10 9.029 -9.579 -1.051 1.00 0.25 O ATOM 1066 CB VAL B 10 8.114 -6.895 -2.468 1.00 0.18 C ATOM 1067 CG1 VAL B 10 7.885 -7.797 -3.668 1.00 0.20 C ATOM 1068 CG2 VAL B 10 7.334 -5.604 -2.644 1.00 0.16 C ATOM 0 H VAL B 10 9.064 -6.302 -0.225 1.00 0.16 H new ATOM 0 HA VAL B 10 6.634 -7.404 -1.001 1.00 0.18 H new ATOM 0 HB VAL B 10 9.180 -6.674 -2.406 1.00 0.18 H new ATOM 0 HG11 VAL B 10 8.186 -7.277 -4.577 1.00 0.20 H new ATOM 0 HG12 VAL B 10 8.476 -8.706 -3.558 1.00 0.20 H new ATOM 0 HG13 VAL B 10 6.828 -8.057 -3.732 1.00 0.20 H new ATOM 0 HG21 VAL B 10 7.633 -5.122 -3.575 1.00 0.16 H new ATOM 0 HG22 VAL B 10 6.267 -5.825 -2.676 1.00 0.16 H new ATOM 0 HG23 VAL B 10 7.542 -4.937 -1.808 1.00 0.16 H new ATOM 1078 N ASP B 11 6.836 -9.824 -1.418 1.00 0.18 N ATOM 1079 CA ASP B 11 6.872 -11.278 -1.527 1.00 0.20 C ATOM 1080 C ASP B 11 7.899 -11.688 -2.572 1.00 0.23 C ATOM 1081 O ASP B 11 9.002 -12.116 -2.229 1.00 0.26 O ATOM 1082 CB ASP B 11 5.479 -11.794 -1.904 1.00 0.23 C ATOM 1083 CG ASP B 11 5.351 -13.301 -1.842 1.00 0.40 C ATOM 1084 OD1 ASP B 11 5.190 -13.840 -0.732 1.00 1.22 O ATOM 1085 OD2 ASP B 11 5.371 -13.944 -2.906 1.00 1.14 O ATOM 0 H ASP B 11 5.901 -9.425 -1.506 1.00 0.18 H new ATOM 0 HA ASP B 11 7.160 -11.714 -0.570 1.00 0.20 H new ATOM 0 HB2 ASP B 11 4.743 -11.348 -1.235 1.00 0.23 H new ATOM 0 HB3 ASP B 11 5.238 -11.459 -2.913 1.00 0.23 H new ATOM 1090 N GLU B 12 7.517 -11.530 -3.836 1.00 0.24 N ATOM 1091 CA GLU B 12 8.418 -11.699 -4.977 1.00 0.28 C ATOM 1092 C GLU B 12 7.880 -10.881 -6.140 1.00 0.27 C ATOM 1093 O GLU B 12 8.625 -10.247 -6.886 1.00 0.34 O ATOM 1094 CB GLU B 12 8.524 -13.168 -5.413 1.00 0.35 C ATOM 1095 CG GLU B 12 8.957 -14.111 -4.309 1.00 0.40 C ATOM 1096 CD GLU B 12 9.126 -15.538 -4.780 1.00 0.48 C ATOM 1097 OE1 GLU B 12 8.109 -16.244 -4.927 1.00 1.17 O ATOM 1098 OE2 GLU B 12 10.279 -15.963 -5.004 1.00 1.22 O ATOM 0 H GLU B 12 6.565 -11.279 -4.102 1.00 0.24 H new ATOM 0 HA GLU B 12 9.412 -11.365 -4.680 1.00 0.28 H new ATOM 0 HB2 GLU B 12 7.556 -13.493 -5.795 1.00 0.35 H new ATOM 0 HB3 GLU B 12 9.233 -13.241 -6.237 1.00 0.35 H new ATOM 0 HG2 GLU B 12 9.899 -13.760 -3.888 1.00 0.40 H new ATOM 0 HG3 GLU B 12 8.220 -14.084 -3.507 1.00 0.40 H new ATOM 1105 N LEU B 13 6.562 -10.908 -6.266 1.00 0.26 N ATOM 1106 CA LEU B 13 5.860 -10.241 -7.351 1.00 0.26 C ATOM 1107 C LEU B 13 5.458 -8.830 -6.938 1.00 0.25 C ATOM 1108 O LEU B 13 5.161 -7.979 -7.778 1.00 0.39 O ATOM 1109 CB LEU B 13 4.609 -11.044 -7.725 1.00 0.32 C ATOM 1110 CG LEU B 13 4.731 -12.566 -7.585 1.00 0.32 C ATOM 1111 CD1 LEU B 13 4.452 -12.998 -6.150 1.00 0.90 C ATOM 1112 CD2 LEU B 13 3.794 -13.278 -8.540 1.00 0.79 C ATOM 0 H LEU B 13 5.947 -11.396 -5.615 1.00 0.26 H new ATOM 0 HA LEU B 13 6.525 -10.178 -8.212 1.00 0.26 H new ATOM 0 HB2 LEU B 13 3.782 -10.705 -7.101 1.00 0.32 H new ATOM 0 HB3 LEU B 13 4.346 -10.812 -8.757 1.00 0.32 H new ATOM 0 HG LEU B 13 5.754 -12.844 -7.840 1.00 0.32 H new ATOM 0 HD11 LEU B 13 4.544 -14.081 -6.072 1.00 0.90 H new ATOM 0 HD12 LEU B 13 5.170 -12.524 -5.481 1.00 0.90 H new ATOM 0 HD13 LEU B 13 3.442 -12.698 -5.870 1.00 0.90 H new ATOM 0 HD21 LEU B 13 3.902 -14.356 -8.419 1.00 0.79 H new ATOM 0 HD22 LEU B 13 2.765 -12.989 -8.323 1.00 0.79 H new ATOM 0 HD23 LEU B 13 4.040 -13.001 -9.565 1.00 0.79 H new ATOM 1124 N GLY B 14 5.459 -8.592 -5.635 1.00 0.15 N ATOM 1125 CA GLY B 14 5.061 -7.301 -5.108 1.00 0.13 C ATOM 1126 C GLY B 14 4.040 -7.429 -3.999 1.00 0.11 C ATOM 1127 O GLY B 14 3.695 -6.453 -3.353 1.00 0.12 O ATOM 0 H GLY B 14 5.730 -9.275 -4.928 1.00 0.15 H new ATOM 0 HA2 GLY B 14 5.940 -6.777 -4.732 1.00 0.13 H new ATOM 0 HA3 GLY B 14 4.647 -6.693 -5.913 1.00 0.13 H new ATOM 1131 N ARG B 15 3.554 -8.642 -3.782 1.00 0.11 N ATOM 1132 CA ARG B 15 2.580 -8.902 -2.726 1.00 0.11 C ATOM 1133 C ARG B 15 3.165 -8.569 -1.355 1.00 0.09 C ATOM 1134 O ARG B 15 4.270 -9.000 -1.035 1.00 0.12 O ATOM 1135 CB ARG B 15 2.164 -10.373 -2.743 1.00 0.14 C ATOM 1136 CG ARG B 15 1.614 -10.854 -4.075 1.00 0.17 C ATOM 1137 CD ARG B 15 1.081 -12.272 -3.968 1.00 0.29 C ATOM 1138 NE ARG B 15 2.130 -13.229 -3.621 1.00 1.30 N ATOM 1139 CZ ARG B 15 2.113 -14.509 -3.986 1.00 1.93 C ATOM 1140 NH1 ARG B 15 1.084 -14.989 -4.675 1.00 1.94 N ATOM 1141 NH2 ARG B 15 3.125 -15.304 -3.664 1.00 2.91 N ATOM 0 H ARG B 15 3.817 -9.465 -4.323 1.00 0.11 H new ATOM 0 HA ARG B 15 1.711 -8.270 -2.908 1.00 0.11 H new ATOM 0 HB2 ARG B 15 3.026 -10.985 -2.477 1.00 0.14 H new ATOM 0 HB3 ARG B 15 1.410 -10.534 -1.973 1.00 0.14 H new ATOM 0 HG2 ARG B 15 0.818 -10.187 -4.405 1.00 0.17 H new ATOM 0 HG3 ARG B 15 2.398 -10.813 -4.831 1.00 0.17 H new ATOM 0 HD2 ARG B 15 0.295 -12.307 -3.214 1.00 0.29 H new ATOM 0 HD3 ARG B 15 0.627 -12.561 -4.916 1.00 0.29 H new ATOM 0 HE ARG B 15 2.920 -12.897 -3.068 1.00 1.30 H new ATOM 0 HH11 ARG B 15 0.307 -14.377 -4.924 1.00 1.94 H new ATOM 0 HH12 ARG B 15 1.071 -15.970 -4.955 1.00 1.94 H new ATOM 0 HH21 ARG B 15 3.916 -14.934 -3.137 1.00 2.91 H new ATOM 0 HH22 ARG B 15 3.112 -16.285 -3.944 1.00 2.91 H new ATOM 1155 N ILE B 16 2.436 -7.795 -0.556 1.00 0.09 N ATOM 1156 CA ILE B 16 2.861 -7.502 0.814 1.00 0.09 C ATOM 1157 C ILE B 16 1.639 -7.509 1.735 1.00 0.09 C ATOM 1158 O ILE B 16 0.507 -7.659 1.275 1.00 0.11 O ATOM 1159 CB ILE B 16 3.625 -6.144 0.948 1.00 0.11 C ATOM 1160 CG1 ILE B 16 2.670 -4.993 1.283 1.00 0.11 C ATOM 1161 CG2 ILE B 16 4.414 -5.822 -0.314 1.00 0.16 C ATOM 1162 CD1 ILE B 16 3.311 -3.622 1.205 1.00 0.14 C ATOM 0 H ILE B 16 1.554 -7.361 -0.829 1.00 0.09 H new ATOM 0 HA ILE B 16 3.566 -8.281 1.105 1.00 0.09 H new ATOM 0 HB ILE B 16 4.329 -6.256 1.773 1.00 0.11 H new ATOM 0 HG12 ILE B 16 1.822 -5.026 0.599 1.00 0.11 H new ATOM 0 HG13 ILE B 16 2.275 -5.142 2.288 1.00 0.11 H new ATOM 0 HG21 ILE B 16 4.933 -4.872 -0.186 1.00 0.16 H new ATOM 0 HG22 ILE B 16 5.143 -6.611 -0.499 1.00 0.16 H new ATOM 0 HG23 ILE B 16 3.732 -5.752 -1.162 1.00 0.16 H new ATOM 0 HD11 ILE B 16 2.573 -2.860 1.455 1.00 0.14 H new ATOM 0 HD12 ILE B 16 4.141 -3.568 1.909 1.00 0.14 H new ATOM 0 HD13 ILE B 16 3.681 -3.450 0.194 1.00 0.14 H new ATOM 1174 N VAL B 17 1.863 -7.341 3.024 1.00 0.09 N ATOM 1175 CA VAL B 17 0.780 -7.393 3.989 1.00 0.10 C ATOM 1176 C VAL B 17 0.417 -5.997 4.494 1.00 0.11 C ATOM 1177 O VAL B 17 1.181 -5.361 5.221 1.00 0.16 O ATOM 1178 CB VAL B 17 1.114 -8.338 5.176 1.00 0.14 C ATOM 1179 CG1 VAL B 17 2.548 -8.147 5.657 1.00 0.18 C ATOM 1180 CG2 VAL B 17 0.126 -8.145 6.322 1.00 0.19 C ATOM 0 H VAL B 17 2.784 -7.168 3.428 1.00 0.09 H new ATOM 0 HA VAL B 17 -0.089 -7.802 3.473 1.00 0.10 H new ATOM 0 HB VAL B 17 1.021 -9.362 4.815 1.00 0.14 H new ATOM 0 HG11 VAL B 17 2.746 -8.824 6.488 1.00 0.18 H new ATOM 0 HG12 VAL B 17 3.237 -8.363 4.841 1.00 0.18 H new ATOM 0 HG13 VAL B 17 2.687 -7.117 5.987 1.00 0.18 H new ATOM 0 HG21 VAL B 17 0.382 -8.818 7.140 1.00 0.19 H new ATOM 0 HG22 VAL B 17 0.172 -7.114 6.672 1.00 0.19 H new ATOM 0 HG23 VAL B 17 -0.883 -8.365 5.973 1.00 0.19 H new ATOM 1190 N MET B 18 -0.745 -5.516 4.071 1.00 0.10 N ATOM 1191 CA MET B 18 -1.284 -4.260 4.578 1.00 0.11 C ATOM 1192 C MET B 18 -1.831 -4.485 5.982 1.00 0.10 C ATOM 1193 O MET B 18 -2.171 -5.613 6.342 1.00 0.15 O ATOM 1194 CB MET B 18 -2.400 -3.735 3.670 1.00 0.18 C ATOM 1195 CG MET B 18 -1.933 -3.187 2.332 1.00 0.29 C ATOM 1196 SD MET B 18 -1.206 -1.543 2.462 1.00 0.94 S ATOM 1197 CE MET B 18 0.533 -1.920 2.573 1.00 0.54 C ATOM 0 H MET B 18 -1.333 -5.977 3.377 1.00 0.10 H new ATOM 0 HA MET B 18 -0.485 -3.519 4.599 1.00 0.11 H new ATOM 0 HB2 MET B 18 -3.110 -4.542 3.488 1.00 0.18 H new ATOM 0 HB3 MET B 18 -2.940 -2.950 4.199 1.00 0.18 H new ATOM 0 HG2 MET B 18 -1.200 -3.870 1.901 1.00 0.29 H new ATOM 0 HG3 MET B 18 -2.778 -3.152 1.645 1.00 0.29 H new ATOM 0 HE1 MET B 18 0.850 -1.870 3.615 1.00 0.54 H new ATOM 0 HE2 MET B 18 0.713 -2.923 2.187 1.00 0.54 H new ATOM 0 HE3 MET B 18 1.100 -1.198 1.986 1.00 0.54 H new ATOM 1207 N PRO B 19 -1.921 -3.432 6.798 1.00 0.12 N ATOM 1208 CA PRO B 19 -2.362 -3.561 8.170 1.00 0.13 C ATOM 1209 C PRO B 19 -3.878 -3.465 8.332 1.00 0.13 C ATOM 1210 O PRO B 19 -4.585 -2.868 7.506 1.00 0.13 O ATOM 1211 CB PRO B 19 -1.670 -2.389 8.865 1.00 0.15 C ATOM 1212 CG PRO B 19 -1.455 -1.357 7.804 1.00 0.19 C ATOM 1213 CD PRO B 19 -1.593 -2.036 6.461 1.00 0.19 C ATOM 0 HA PRO B 19 -2.112 -4.539 8.582 1.00 0.13 H new ATOM 0 HB2 PRO B 19 -2.285 -1.996 9.674 1.00 0.15 H new ATOM 0 HB3 PRO B 19 -0.723 -2.700 9.306 1.00 0.15 H new ATOM 0 HG2 PRO B 19 -2.184 -0.552 7.901 1.00 0.19 H new ATOM 0 HG3 PRO B 19 -0.467 -0.907 7.904 1.00 0.19 H new ATOM 0 HD2 PRO B 19 -2.377 -1.576 5.860 1.00 0.19 H new ATOM 0 HD3 PRO B 19 -0.670 -1.971 5.884 1.00 0.19 H new ATOM 1221 N ILE B 20 -4.378 -4.054 9.410 1.00 0.15 N ATOM 1222 CA ILE B 20 -5.770 -3.879 9.791 1.00 0.16 C ATOM 1223 C ILE B 20 -6.066 -2.391 9.948 1.00 0.16 C ATOM 1224 O ILE B 20 -7.166 -1.931 9.675 1.00 0.17 O ATOM 1225 CB ILE B 20 -6.100 -4.629 11.103 1.00 0.18 C ATOM 1226 CG1 ILE B 20 -7.492 -4.248 11.611 1.00 0.20 C ATOM 1227 CG2 ILE B 20 -5.042 -4.352 12.160 1.00 0.18 C ATOM 1228 CD1 ILE B 20 -8.612 -4.723 10.717 1.00 0.22 C ATOM 0 H ILE B 20 -3.840 -4.656 10.034 1.00 0.15 H new ATOM 0 HA ILE B 20 -6.397 -4.301 9.006 1.00 0.16 H new ATOM 0 HB ILE B 20 -6.099 -5.699 10.894 1.00 0.18 H new ATOM 0 HG12 ILE B 20 -7.632 -4.665 12.608 1.00 0.20 H new ATOM 0 HG13 ILE B 20 -7.550 -3.164 11.708 1.00 0.20 H new ATOM 0 HG21 ILE B 20 -5.293 -4.889 13.075 1.00 0.18 H new ATOM 0 HG22 ILE B 20 -4.070 -4.686 11.798 1.00 0.18 H new ATOM 0 HG23 ILE B 20 -5.004 -3.282 12.366 1.00 0.18 H new ATOM 0 HD11 ILE B 20 -9.569 -4.417 11.139 1.00 0.22 H new ATOM 0 HD12 ILE B 20 -8.497 -4.285 9.725 1.00 0.22 H new ATOM 0 HD13 ILE B 20 -8.580 -5.810 10.640 1.00 0.22 H new ATOM 1240 N GLU B 21 -5.044 -1.647 10.345 1.00 0.16 N ATOM 1241 CA GLU B 21 -5.130 -0.200 10.478 1.00 0.16 C ATOM 1242 C GLU B 21 -5.497 0.445 9.147 1.00 0.16 C ATOM 1243 O GLU B 21 -6.157 1.473 9.121 1.00 0.18 O ATOM 1244 CB GLU B 21 -3.793 0.342 10.971 1.00 0.18 C ATOM 1245 CG GLU B 21 -3.236 -0.442 12.148 1.00 0.23 C ATOM 1246 CD GLU B 21 -4.029 -0.233 13.421 1.00 0.29 C ATOM 1247 OE1 GLU B 21 -5.249 -0.493 13.419 1.00 1.06 O ATOM 1248 OE2 GLU B 21 -3.431 0.194 14.428 1.00 1.07 O ATOM 0 H GLU B 21 -4.130 -2.031 10.585 1.00 0.16 H new ATOM 0 HA GLU B 21 -5.911 0.042 11.199 1.00 0.16 H new ATOM 0 HB2 GLU B 21 -3.073 0.320 10.153 1.00 0.18 H new ATOM 0 HB3 GLU B 21 -3.914 1.386 11.261 1.00 0.18 H new ATOM 0 HG2 GLU B 21 -3.228 -1.503 11.900 1.00 0.23 H new ATOM 0 HG3 GLU B 21 -2.201 -0.147 12.318 1.00 0.23 H new ATOM 1255 N LEU B 22 -5.093 -0.184 8.045 1.00 0.14 N ATOM 1256 CA LEU B 22 -5.439 0.302 6.716 1.00 0.15 C ATOM 1257 C LEU B 22 -6.888 -0.031 6.440 1.00 0.15 C ATOM 1258 O LEU B 22 -7.637 0.768 5.877 1.00 0.17 O ATOM 1259 CB LEU B 22 -4.533 -0.324 5.644 1.00 0.15 C ATOM 1260 CG LEU B 22 -5.218 -0.663 4.314 1.00 0.19 C ATOM 1261 CD1 LEU B 22 -4.308 -0.335 3.144 1.00 0.24 C ATOM 1262 CD2 LEU B 22 -5.605 -2.137 4.270 1.00 0.18 C ATOM 0 H LEU B 22 -4.526 -1.032 8.049 1.00 0.14 H new ATOM 0 HA LEU B 22 -5.292 1.381 6.680 1.00 0.15 H new ATOM 0 HB2 LEU B 22 -3.710 0.362 5.444 1.00 0.15 H new ATOM 0 HB3 LEU B 22 -4.096 -1.236 6.050 1.00 0.15 H new ATOM 0 HG LEU B 22 -6.122 -0.059 4.237 1.00 0.19 H new ATOM 0 HD11 LEU B 22 -4.812 -0.583 2.210 1.00 0.24 H new ATOM 0 HD12 LEU B 22 -4.069 0.728 3.156 1.00 0.24 H new ATOM 0 HD13 LEU B 22 -3.388 -0.915 3.225 1.00 0.24 H new ATOM 0 HD21 LEU B 22 -6.089 -2.358 3.319 1.00 0.18 H new ATOM 0 HD22 LEU B 22 -4.710 -2.751 4.373 1.00 0.18 H new ATOM 0 HD23 LEU B 22 -6.292 -2.357 5.087 1.00 0.18 H new ATOM 1274 N ARG B 23 -7.275 -1.221 6.864 1.00 0.14 N ATOM 1275 CA ARG B 23 -8.660 -1.653 6.740 1.00 0.15 C ATOM 1276 C ARG B 23 -9.569 -0.772 7.595 1.00 0.19 C ATOM 1277 O ARG B 23 -10.736 -0.550 7.267 1.00 0.23 O ATOM 1278 CB ARG B 23 -8.816 -3.126 7.140 1.00 0.16 C ATOM 1279 CG ARG B 23 -7.987 -4.082 6.298 1.00 0.16 C ATOM 1280 CD ARG B 23 -8.413 -5.535 6.501 1.00 0.35 C ATOM 1281 NE ARG B 23 -7.732 -6.194 7.615 1.00 0.64 N ATOM 1282 CZ ARG B 23 -8.288 -7.153 8.368 1.00 0.58 C ATOM 1283 NH1 ARG B 23 -9.572 -7.462 8.225 1.00 0.73 N ATOM 1284 NH2 ARG B 23 -7.557 -7.788 9.278 1.00 1.30 N ATOM 0 H ARG B 23 -6.654 -1.905 7.296 1.00 0.14 H new ATOM 0 HA ARG B 23 -8.954 -1.553 5.695 1.00 0.15 H new ATOM 0 HB2 ARG B 23 -8.534 -3.240 8.187 1.00 0.16 H new ATOM 0 HB3 ARG B 23 -9.867 -3.405 7.061 1.00 0.16 H new ATOM 0 HG2 ARG B 23 -8.086 -3.818 5.245 1.00 0.16 H new ATOM 0 HG3 ARG B 23 -6.934 -3.973 6.556 1.00 0.16 H new ATOM 0 HD2 ARG B 23 -9.489 -5.569 6.672 1.00 0.35 H new ATOM 0 HD3 ARG B 23 -8.218 -6.093 5.585 1.00 0.35 H new ATOM 0 HE ARG B 23 -6.778 -5.907 7.832 1.00 0.64 H new ATOM 0 HH11 ARG B 23 -10.142 -6.968 7.538 1.00 0.73 H new ATOM 0 HH12 ARG B 23 -9.988 -8.193 8.802 1.00 0.73 H new ATOM 0 HH21 ARG B 23 -6.574 -7.545 9.403 1.00 1.30 H new ATOM 0 HH22 ARG B 23 -7.979 -8.518 9.852 1.00 1.30 H new ATOM 1298 N ARG B 24 -9.009 -0.270 8.684 1.00 0.18 N ATOM 1299 CA ARG B 24 -9.719 0.606 9.602 1.00 0.20 C ATOM 1300 C ARG B 24 -9.654 2.047 9.117 1.00 0.22 C ATOM 1301 O ARG B 24 -10.509 2.871 9.445 1.00 0.26 O ATOM 1302 CB ARG B 24 -9.101 0.497 10.998 1.00 0.22 C ATOM 1303 CG ARG B 24 -9.250 -0.881 11.621 1.00 0.24 C ATOM 1304 CD ARG B 24 -8.413 -1.022 12.880 1.00 0.27 C ATOM 1305 NE ARG B 24 -9.024 -0.367 14.034 1.00 0.41 N ATOM 1306 CZ ARG B 24 -8.428 -0.248 15.220 1.00 0.67 C ATOM 1307 NH1 ARG B 24 -7.147 -0.574 15.362 1.00 0.79 N ATOM 1308 NH2 ARG B 24 -9.100 0.246 16.250 1.00 0.87 N ATOM 0 H ARG B 24 -8.045 -0.460 8.957 1.00 0.18 H new ATOM 0 HA ARG B 24 -10.764 0.300 9.644 1.00 0.20 H new ATOM 0 HB2 ARG B 24 -8.042 0.747 10.938 1.00 0.22 H new ATOM 0 HB3 ARG B 24 -9.567 1.235 11.651 1.00 0.22 H new ATOM 0 HG2 ARG B 24 -10.298 -1.061 11.859 1.00 0.24 H new ATOM 0 HG3 ARG B 24 -8.952 -1.641 10.899 1.00 0.24 H new ATOM 0 HD2 ARG B 24 -8.269 -2.080 13.100 1.00 0.27 H new ATOM 0 HD3 ARG B 24 -7.425 -0.596 12.705 1.00 0.27 H new ATOM 0 HE ARG B 24 -9.961 0.022 13.926 1.00 0.41 H new ATOM 0 HH11 ARG B 24 -6.616 -0.917 14.561 1.00 0.79 H new ATOM 0 HH12 ARG B 24 -6.695 -0.481 16.272 1.00 0.79 H new ATOM 0 HH21 ARG B 24 -10.072 0.534 16.134 1.00 0.87 H new ATOM 0 HH22 ARG B 24 -8.646 0.338 17.159 1.00 0.87 H new ATOM 1322 N ALA B 25 -8.625 2.333 8.335 1.00 0.20 N ATOM 1323 CA ALA B 25 -8.385 3.670 7.816 1.00 0.22 C ATOM 1324 C ALA B 25 -9.314 3.977 6.663 1.00 0.26 C ATOM 1325 O ALA B 25 -10.029 4.980 6.664 1.00 0.28 O ATOM 1326 CB ALA B 25 -6.956 3.757 7.312 1.00 0.23 C ATOM 0 H ALA B 25 -7.932 1.644 8.042 1.00 0.20 H new ATOM 0 HA ALA B 25 -8.561 4.387 8.618 1.00 0.22 H new ATOM 0 HB1 ALA B 25 -6.768 4.757 6.921 1.00 0.23 H new ATOM 0 HB2 ALA B 25 -6.268 3.553 8.132 1.00 0.23 H new ATOM 0 HB3 ALA B 25 -6.804 3.024 6.520 1.00 0.23 H new ATOM 1332 N LEU B 26 -9.308 3.088 5.689 1.00 0.28 N ATOM 1333 CA LEU B 26 -10.072 3.286 4.480 1.00 0.37 C ATOM 1334 C LEU B 26 -11.511 2.852 4.692 1.00 0.41 C ATOM 1335 O LEU B 26 -12.380 3.673 4.982 1.00 0.57 O ATOM 1336 CB LEU B 26 -9.458 2.498 3.324 1.00 0.35 C ATOM 1337 CG LEU B 26 -7.991 2.797 3.004 1.00 0.39 C ATOM 1338 CD1 LEU B 26 -7.373 1.641 2.237 1.00 0.40 C ATOM 1339 CD2 LEU B 26 -7.870 4.071 2.186 1.00 0.52 C ATOM 0 H LEU B 26 -8.778 2.217 5.715 1.00 0.28 H new ATOM 0 HA LEU B 26 -10.053 4.347 4.231 1.00 0.37 H new ATOM 0 HB2 LEU B 26 -9.550 1.435 3.547 1.00 0.35 H new ATOM 0 HB3 LEU B 26 -10.049 2.688 2.428 1.00 0.35 H new ATOM 0 HG LEU B 26 -7.459 2.930 3.946 1.00 0.39 H new ATOM 0 HD11 LEU B 26 -6.330 1.867 2.016 1.00 0.40 H new ATOM 0 HD12 LEU B 26 -7.428 0.734 2.839 1.00 0.40 H new ATOM 0 HD13 LEU B 26 -7.917 1.491 1.304 1.00 0.40 H new ATOM 0 HD21 LEU B 26 -6.820 4.266 1.969 1.00 0.52 H new ATOM 0 HD22 LEU B 26 -8.418 3.957 1.251 1.00 0.52 H new ATOM 0 HD23 LEU B 26 -8.285 4.906 2.750 1.00 0.52 H new ATOM 1351 N ASP B 27 -11.728 1.544 4.584 1.00 0.34 N ATOM 1352 CA ASP B 27 -13.045 0.930 4.683 1.00 0.42 C ATOM 1353 C ASP B 27 -12.942 -0.486 4.151 1.00 0.41 C ATOM 1354 O ASP B 27 -13.525 -0.819 3.125 1.00 0.76 O ATOM 1355 CB ASP B 27 -14.107 1.703 3.885 1.00 0.61 C ATOM 1356 CG ASP B 27 -15.516 1.225 4.180 1.00 0.68 C ATOM 1357 OD1 ASP B 27 -16.072 1.617 5.226 1.00 1.34 O ATOM 1358 OD2 ASP B 27 -16.073 0.458 3.370 1.00 1.54 O ATOM 0 H ASP B 27 -10.979 0.871 4.422 1.00 0.34 H new ATOM 0 HA ASP B 27 -13.358 0.940 5.727 1.00 0.42 H new ATOM 0 HB2 ASP B 27 -14.031 2.765 4.118 1.00 0.61 H new ATOM 0 HB3 ASP B 27 -13.906 1.595 2.819 1.00 0.61 H new ATOM 1363 N ILE B 28 -12.112 -1.289 4.802 1.00 0.22 N ATOM 1364 CA ILE B 28 -11.886 -2.664 4.369 1.00 0.18 C ATOM 1365 C ILE B 28 -12.359 -3.621 5.444 1.00 0.23 C ATOM 1366 O ILE B 28 -12.057 -3.440 6.622 1.00 0.31 O ATOM 1367 CB ILE B 28 -10.396 -2.980 4.045 1.00 0.16 C ATOM 1368 CG1 ILE B 28 -9.870 -2.186 2.840 1.00 0.14 C ATOM 1369 CG2 ILE B 28 -10.232 -4.467 3.767 1.00 0.18 C ATOM 1370 CD1 ILE B 28 -9.981 -0.703 2.985 1.00 0.17 C ATOM 0 H ILE B 28 -11.584 -1.014 5.630 1.00 0.22 H new ATOM 0 HA ILE B 28 -12.452 -2.789 3.446 1.00 0.18 H new ATOM 0 HB ILE B 28 -9.814 -2.684 4.918 1.00 0.16 H new ATOM 0 HG12 ILE B 28 -8.824 -2.446 2.677 1.00 0.14 H new ATOM 0 HG13 ILE B 28 -10.418 -2.494 1.949 1.00 0.14 H new ATOM 0 HG21 ILE B 28 -9.188 -4.682 3.541 1.00 0.18 H new ATOM 0 HG22 ILE B 28 -10.538 -5.037 4.644 1.00 0.18 H new ATOM 0 HG23 ILE B 28 -10.853 -4.749 2.916 1.00 0.18 H new ATOM 0 HD11 ILE B 28 -9.587 -0.220 2.091 1.00 0.17 H new ATOM 0 HD12 ILE B 28 -11.027 -0.428 3.116 1.00 0.17 H new ATOM 0 HD13 ILE B 28 -9.409 -0.379 3.854 1.00 0.17 H new ATOM 1382 N ALA B 29 -13.090 -4.635 5.037 1.00 0.24 N ATOM 1383 CA ALA B 29 -13.635 -5.586 5.969 1.00 0.28 C ATOM 1384 C ALA B 29 -12.812 -6.865 5.981 1.00 0.30 C ATOM 1385 O ALA B 29 -12.289 -7.272 7.019 1.00 0.41 O ATOM 1386 CB ALA B 29 -15.079 -5.857 5.606 1.00 0.29 C ATOM 0 H ALA B 29 -13.319 -4.819 4.060 1.00 0.24 H new ATOM 0 HA ALA B 29 -13.596 -5.174 6.978 1.00 0.28 H new ATOM 0 HB1 ALA B 29 -15.501 -6.577 6.307 1.00 0.29 H new ATOM 0 HB2 ALA B 29 -15.647 -4.928 5.654 1.00 0.29 H new ATOM 0 HB3 ALA B 29 -15.130 -6.262 4.595 1.00 0.29 H new ATOM 1392 N ILE B 30 -12.677 -7.474 4.816 1.00 0.26 N ATOM 1393 CA ILE B 30 -11.898 -8.702 4.676 1.00 0.27 C ATOM 1394 C ILE B 30 -11.158 -8.691 3.344 1.00 0.24 C ATOM 1395 O ILE B 30 -10.073 -9.241 3.227 1.00 0.24 O ATOM 1396 CB ILE B 30 -12.801 -9.964 4.810 1.00 0.30 C ATOM 1397 CG1 ILE B 30 -11.969 -11.258 4.916 1.00 0.34 C ATOM 1398 CG2 ILE B 30 -13.790 -10.052 3.654 1.00 0.28 C ATOM 1399 CD1 ILE B 30 -11.645 -11.922 3.591 1.00 0.34 C ATOM 0 H ILE B 30 -13.096 -7.141 3.948 1.00 0.26 H new ATOM 0 HA ILE B 30 -11.167 -8.746 5.483 1.00 0.27 H new ATOM 0 HB ILE B 30 -13.363 -9.860 5.738 1.00 0.30 H new ATOM 0 HG12 ILE B 30 -11.035 -11.030 5.429 1.00 0.34 H new ATOM 0 HG13 ILE B 30 -12.510 -11.970 5.539 1.00 0.34 H new ATOM 0 HG21 ILE B 30 -14.409 -10.942 3.771 1.00 0.28 H new ATOM 0 HG22 ILE B 30 -14.425 -9.166 3.650 1.00 0.28 H new ATOM 0 HG23 ILE B 30 -13.245 -10.111 2.712 1.00 0.28 H new ATOM 0 HD11 ILE B 30 -11.058 -12.823 3.769 1.00 0.34 H new ATOM 0 HD12 ILE B 30 -12.571 -12.187 3.081 1.00 0.34 H new ATOM 0 HD13 ILE B 30 -11.073 -11.233 2.969 1.00 0.34 H new ATOM 1411 N LYS B 31 -11.759 -8.050 2.350 1.00 0.21 N ATOM 1412 CA LYS B 31 -11.121 -7.825 1.063 1.00 0.19 C ATOM 1413 C LYS B 31 -11.347 -6.381 0.633 1.00 0.16 C ATOM 1414 O LYS B 31 -10.403 -5.649 0.331 1.00 0.15 O ATOM 1415 CB LYS B 31 -11.684 -8.767 -0.010 1.00 0.22 C ATOM 1416 CG LYS B 31 -11.639 -10.241 0.368 1.00 0.29 C ATOM 1417 CD LYS B 31 -11.690 -11.135 -0.859 1.00 0.37 C ATOM 1418 CE LYS B 31 -10.400 -11.048 -1.658 1.00 0.47 C ATOM 1419 NZ LYS B 31 -10.445 -11.899 -2.872 1.00 1.38 N ATOM 0 H LYS B 31 -12.704 -7.672 2.415 1.00 0.21 H new ATOM 0 HA LYS B 31 -10.055 -8.025 1.170 1.00 0.19 H new ATOM 0 HB2 LYS B 31 -12.717 -8.488 -0.217 1.00 0.22 H new ATOM 0 HB3 LYS B 31 -11.124 -8.623 -0.934 1.00 0.22 H new ATOM 0 HG2 LYS B 31 -10.728 -10.445 0.930 1.00 0.29 H new ATOM 0 HG3 LYS B 31 -12.477 -10.475 1.024 1.00 0.29 H new ATOM 0 HD2 LYS B 31 -11.862 -12.167 -0.553 1.00 0.37 H new ATOM 0 HD3 LYS B 31 -12.531 -10.845 -1.489 1.00 0.37 H new ATOM 0 HE2 LYS B 31 -10.221 -10.012 -1.947 1.00 0.47 H new ATOM 0 HE3 LYS B 31 -9.563 -11.354 -1.031 1.00 0.47 H new ATOM 0 HZ1 LYS B 31 -9.547 -11.813 -3.390 1.00 1.38 H new ATOM 0 HZ2 LYS B 31 -10.591 -12.891 -2.595 1.00 1.38 H new ATOM 0 HZ3 LYS B 31 -11.228 -11.591 -3.483 1.00 1.38 H new ATOM 1433 N ASP B 32 -12.616 -5.986 0.660 1.00 0.16 N ATOM 1434 CA ASP B 32 -13.071 -4.665 0.222 1.00 0.15 C ATOM 1435 C ASP B 32 -12.368 -4.156 -1.032 1.00 0.15 C ATOM 1436 O ASP B 32 -12.559 -4.726 -2.100 1.00 0.19 O ATOM 1437 CB ASP B 32 -12.985 -3.658 1.358 1.00 0.15 C ATOM 1438 CG ASP B 32 -14.359 -3.366 1.912 1.00 0.20 C ATOM 1439 OD1 ASP B 32 -15.135 -2.659 1.245 1.00 1.17 O ATOM 1440 OD2 ASP B 32 -14.684 -3.874 2.998 1.00 1.05 O ATOM 0 H ASP B 32 -13.373 -6.584 0.992 1.00 0.16 H new ATOM 0 HA ASP B 32 -14.117 -4.784 -0.061 1.00 0.15 H new ATOM 0 HB2 ASP B 32 -12.343 -4.047 2.148 1.00 0.15 H new ATOM 0 HB3 ASP B 32 -12.527 -2.736 1.000 1.00 0.15 H new ATOM 1445 N SER B 33 -11.571 -3.090 -0.907 1.00 0.14 N ATOM 1446 CA SER B 33 -10.914 -2.470 -2.066 1.00 0.14 C ATOM 1447 C SER B 33 -9.746 -1.588 -1.633 1.00 0.13 C ATOM 1448 O SER B 33 -9.869 -0.822 -0.678 1.00 0.15 O ATOM 1449 CB SER B 33 -11.894 -1.582 -2.842 1.00 0.18 C ATOM 1450 OG SER B 33 -13.079 -2.271 -3.200 1.00 0.24 O ATOM 0 H SER B 33 -11.364 -2.638 -0.016 1.00 0.14 H new ATOM 0 HA SER B 33 -10.558 -3.286 -2.695 1.00 0.14 H new ATOM 0 HB2 SER B 33 -12.151 -0.713 -2.236 1.00 0.18 H new ATOM 0 HB3 SER B 33 -11.407 -1.209 -3.743 1.00 0.18 H new ATOM 0 HG SER B 33 -13.674 -1.666 -3.691 1.00 0.24 H new ATOM 1456 N ILE B 34 -8.618 -1.691 -2.335 1.00 0.13 N ATOM 1457 CA ILE B 34 -7.494 -0.789 -2.114 1.00 0.13 C ATOM 1458 C ILE B 34 -6.870 -0.409 -3.452 1.00 0.13 C ATOM 1459 O ILE B 34 -6.141 -1.198 -4.042 1.00 0.14 O ATOM 1460 CB ILE B 34 -6.382 -1.400 -1.221 1.00 0.15 C ATOM 1461 CG1 ILE B 34 -6.932 -1.940 0.102 1.00 0.15 C ATOM 1462 CG2 ILE B 34 -5.312 -0.361 -0.939 1.00 0.20 C ATOM 1463 CD1 ILE B 34 -7.521 -3.329 -0.008 1.00 0.18 C ATOM 0 H ILE B 34 -8.461 -2.390 -3.061 1.00 0.13 H new ATOM 0 HA ILE B 34 -7.899 0.081 -1.597 1.00 0.13 H new ATOM 0 HB ILE B 34 -5.953 -2.239 -1.769 1.00 0.15 H new ATOM 0 HG12 ILE B 34 -6.131 -1.952 0.841 1.00 0.15 H new ATOM 0 HG13 ILE B 34 -7.697 -1.258 0.473 1.00 0.15 H new ATOM 0 HG21 ILE B 34 -4.536 -0.799 -0.312 1.00 0.20 H new ATOM 0 HG22 ILE B 34 -4.873 -0.026 -1.879 1.00 0.20 H new ATOM 0 HG23 ILE B 34 -5.758 0.490 -0.424 1.00 0.20 H new ATOM 0 HD11 ILE B 34 -7.890 -3.646 0.967 1.00 0.18 H new ATOM 0 HD12 ILE B 34 -8.344 -3.320 -0.722 1.00 0.18 H new ATOM 0 HD13 ILE B 34 -6.753 -4.024 -0.348 1.00 0.18 H new ATOM 1475 N GLU B 35 -7.172 0.784 -3.932 1.00 0.13 N ATOM 1476 CA GLU B 35 -6.635 1.261 -5.200 1.00 0.14 C ATOM 1477 C GLU B 35 -5.410 2.124 -4.937 1.00 0.15 C ATOM 1478 O GLU B 35 -5.420 2.958 -4.030 1.00 0.20 O ATOM 1479 CB GLU B 35 -7.706 2.057 -5.957 1.00 0.19 C ATOM 1480 CG GLU B 35 -7.244 2.618 -7.292 1.00 0.28 C ATOM 1481 CD GLU B 35 -8.331 3.407 -7.994 1.00 0.51 C ATOM 1482 OE1 GLU B 35 -8.620 4.543 -7.561 1.00 1.33 O ATOM 1483 OE2 GLU B 35 -8.890 2.901 -8.990 1.00 1.12 O ATOM 0 H GLU B 35 -7.790 1.446 -3.462 1.00 0.13 H new ATOM 0 HA GLU B 35 -6.342 0.411 -5.816 1.00 0.14 H new ATOM 0 HB2 GLU B 35 -8.569 1.412 -6.126 1.00 0.19 H new ATOM 0 HB3 GLU B 35 -8.042 2.881 -5.327 1.00 0.19 H new ATOM 0 HG2 GLU B 35 -6.378 3.260 -7.133 1.00 0.28 H new ATOM 0 HG3 GLU B 35 -6.920 1.799 -7.935 1.00 0.28 H new ATOM 1490 N PHE B 36 -4.351 1.923 -5.707 1.00 0.15 N ATOM 1491 CA PHE B 36 -3.114 2.658 -5.454 1.00 0.17 C ATOM 1492 C PHE B 36 -2.680 3.486 -6.648 1.00 0.22 C ATOM 1493 O PHE B 36 -2.960 3.152 -7.803 1.00 0.28 O ATOM 1494 CB PHE B 36 -1.964 1.744 -5.004 1.00 0.22 C ATOM 1495 CG PHE B 36 -2.113 0.291 -5.346 1.00 0.19 C ATOM 1496 CD1 PHE B 36 -3.035 -0.506 -4.686 1.00 1.21 C ATOM 1497 CD2 PHE B 36 -1.307 -0.286 -6.309 1.00 1.21 C ATOM 1498 CE1 PHE B 36 -3.150 -1.846 -4.986 1.00 1.21 C ATOM 1499 CE2 PHE B 36 -1.421 -1.627 -6.614 1.00 1.27 C ATOM 1500 CZ PHE B 36 -2.341 -2.406 -5.953 1.00 0.43 C ATOM 0 H PHE B 36 -4.318 1.275 -6.494 1.00 0.15 H new ATOM 0 HA PHE B 36 -3.345 3.337 -4.633 1.00 0.17 H new ATOM 0 HB2 PHE B 36 -1.039 2.110 -5.449 1.00 0.22 H new ATOM 0 HB3 PHE B 36 -1.855 1.834 -3.923 1.00 0.22 H new ATOM 0 HD1 PHE B 36 -3.670 -0.072 -3.928 1.00 1.21 H new ATOM 0 HD2 PHE B 36 -0.579 0.320 -6.829 1.00 1.21 H new ATOM 0 HE1 PHE B 36 -3.872 -2.457 -4.465 1.00 1.21 H new ATOM 0 HE2 PHE B 36 -0.788 -2.064 -7.372 1.00 1.27 H new ATOM 0 HZ PHE B 36 -2.430 -3.456 -6.191 1.00 0.43 H new ATOM 1510 N PHE B 37 -1.986 4.574 -6.351 1.00 0.22 N ATOM 1511 CA PHE B 37 -1.491 5.475 -7.369 1.00 0.30 C ATOM 1512 C PHE B 37 -0.132 6.015 -6.977 1.00 0.25 C ATOM 1513 O PHE B 37 0.115 6.304 -5.814 1.00 0.45 O ATOM 1514 CB PHE B 37 -2.491 6.605 -7.655 1.00 0.48 C ATOM 1515 CG PHE B 37 -3.120 7.257 -6.448 1.00 0.65 C ATOM 1516 CD1 PHE B 37 -4.094 6.599 -5.710 1.00 1.67 C ATOM 1517 CD2 PHE B 37 -2.769 8.545 -6.081 1.00 1.24 C ATOM 1518 CE1 PHE B 37 -4.700 7.211 -4.631 1.00 2.10 C ATOM 1519 CE2 PHE B 37 -3.369 9.161 -5.000 1.00 1.64 C ATOM 1520 CZ PHE B 37 -4.337 8.494 -4.275 1.00 1.80 C ATOM 0 H PHE B 37 -1.753 4.853 -5.398 1.00 0.22 H new ATOM 0 HA PHE B 37 -1.377 4.914 -8.296 1.00 0.30 H new ATOM 0 HB2 PHE B 37 -1.982 7.375 -8.234 1.00 0.48 H new ATOM 0 HB3 PHE B 37 -3.287 6.207 -8.284 1.00 0.48 H new ATOM 0 HD1 PHE B 37 -4.382 5.595 -5.984 1.00 1.67 H new ATOM 0 HD2 PHE B 37 -2.017 9.075 -6.647 1.00 1.24 H new ATOM 0 HE1 PHE B 37 -5.457 6.687 -4.066 1.00 2.10 H new ATOM 0 HE2 PHE B 37 -3.081 10.164 -4.722 1.00 1.64 H new ATOM 0 HZ PHE B 37 -4.809 8.975 -3.431 1.00 1.80 H new ATOM 1530 N VAL B 38 0.753 6.116 -7.952 1.00 0.24 N ATOM 1531 CA VAL B 38 2.116 6.536 -7.699 1.00 0.19 C ATOM 1532 C VAL B 38 2.260 8.041 -7.879 1.00 0.20 C ATOM 1533 O VAL B 38 1.653 8.642 -8.767 1.00 0.24 O ATOM 1534 CB VAL B 38 3.120 5.793 -8.613 1.00 0.23 C ATOM 1535 CG1 VAL B 38 2.804 6.016 -10.087 1.00 0.30 C ATOM 1536 CG2 VAL B 38 4.547 6.213 -8.298 1.00 0.25 C ATOM 0 H VAL B 38 0.549 5.911 -8.930 1.00 0.24 H new ATOM 0 HA VAL B 38 2.347 6.280 -6.665 1.00 0.19 H new ATOM 0 HB VAL B 38 3.023 4.726 -8.413 1.00 0.23 H new ATOM 0 HG11 VAL B 38 3.529 5.480 -10.700 1.00 0.30 H new ATOM 0 HG12 VAL B 38 1.802 5.647 -10.304 1.00 0.30 H new ATOM 0 HG13 VAL B 38 2.855 7.081 -10.313 1.00 0.30 H new ATOM 0 HG21 VAL B 38 5.236 5.679 -8.952 1.00 0.25 H new ATOM 0 HG22 VAL B 38 4.654 7.286 -8.457 1.00 0.25 H new ATOM 0 HG23 VAL B 38 4.775 5.976 -7.259 1.00 0.25 H new ATOM 1546 N ASP B 39 3.052 8.635 -7.012 1.00 0.20 N ATOM 1547 CA ASP B 39 3.297 10.064 -7.032 1.00 0.26 C ATOM 1548 C ASP B 39 4.784 10.321 -6.885 1.00 0.29 C ATOM 1549 O ASP B 39 5.343 10.196 -5.789 1.00 0.29 O ATOM 1550 CB ASP B 39 2.510 10.748 -5.913 1.00 0.31 C ATOM 1551 CG ASP B 39 2.871 12.208 -5.739 1.00 0.42 C ATOM 1552 OD1 ASP B 39 2.598 13.016 -6.652 1.00 1.17 O ATOM 1553 OD2 ASP B 39 3.414 12.561 -4.671 1.00 1.18 O ATOM 0 H ASP B 39 3.547 8.140 -6.270 1.00 0.20 H new ATOM 0 HA ASP B 39 2.962 10.480 -7.982 1.00 0.26 H new ATOM 0 HB2 ASP B 39 1.444 10.666 -6.125 1.00 0.31 H new ATOM 0 HB3 ASP B 39 2.690 10.221 -4.976 1.00 0.31 H new ATOM 1558 N GLY B 40 5.425 10.630 -8.002 1.00 0.35 N ATOM 1559 CA GLY B 40 6.855 10.825 -8.008 1.00 0.39 C ATOM 1560 C GLY B 40 7.583 9.512 -7.857 1.00 0.34 C ATOM 1561 O GLY B 40 7.910 8.852 -8.845 1.00 0.42 O ATOM 0 H GLY B 40 4.974 10.749 -8.909 1.00 0.35 H new ATOM 0 HA2 GLY B 40 7.156 11.306 -8.939 1.00 0.39 H new ATOM 0 HA3 GLY B 40 7.137 11.496 -7.197 1.00 0.39 H new ATOM 1565 N ASP B 41 7.816 9.120 -6.616 1.00 0.28 N ATOM 1566 CA ASP B 41 8.477 7.859 -6.332 1.00 0.28 C ATOM 1567 C ASP B 41 7.660 7.043 -5.343 1.00 0.23 C ATOM 1568 O ASP B 41 7.963 5.881 -5.096 1.00 0.29 O ATOM 1569 CB ASP B 41 9.875 8.086 -5.747 1.00 0.37 C ATOM 1570 CG ASP B 41 10.714 9.066 -6.541 1.00 1.17 C ATOM 1571 OD1 ASP B 41 10.622 10.285 -6.275 1.00 1.84 O ATOM 1572 OD2 ASP B 41 11.492 8.630 -7.413 1.00 1.91 O ATOM 0 H ASP B 41 7.557 9.658 -5.789 1.00 0.28 H new ATOM 0 HA ASP B 41 8.568 7.318 -7.274 1.00 0.28 H new ATOM 0 HB2 ASP B 41 9.777 8.450 -4.724 1.00 0.37 H new ATOM 0 HB3 ASP B 41 10.398 7.131 -5.696 1.00 0.37 H new ATOM 1577 N LYS B 42 6.614 7.645 -4.785 1.00 0.20 N ATOM 1578 CA LYS B 42 5.885 7.018 -3.692 1.00 0.21 C ATOM 1579 C LYS B 42 4.543 6.480 -4.169 1.00 0.16 C ATOM 1580 O LYS B 42 4.091 6.794 -5.266 1.00 0.14 O ATOM 1581 CB LYS B 42 5.683 7.997 -2.532 1.00 0.27 C ATOM 1582 CG LYS B 42 4.328 8.676 -2.536 1.00 0.33 C ATOM 1583 CD LYS B 42 4.153 9.573 -1.327 1.00 0.36 C ATOM 1584 CE LYS B 42 5.063 10.784 -1.413 1.00 0.63 C ATOM 1585 NZ LYS B 42 4.503 11.855 -2.278 1.00 0.78 N ATOM 0 H LYS B 42 6.256 8.557 -5.069 1.00 0.20 H new ATOM 0 HA LYS B 42 6.484 6.181 -3.334 1.00 0.21 H new ATOM 0 HB2 LYS B 42 5.808 7.462 -1.591 1.00 0.27 H new ATOM 0 HB3 LYS B 42 6.461 8.759 -2.572 1.00 0.27 H new ATOM 0 HG2 LYS B 42 4.218 9.265 -3.446 1.00 0.33 H new ATOM 0 HG3 LYS B 42 3.542 7.921 -2.547 1.00 0.33 H new ATOM 0 HD2 LYS B 42 3.115 9.898 -1.258 1.00 0.36 H new ATOM 0 HD3 LYS B 42 4.373 9.012 -0.419 1.00 0.36 H new ATOM 0 HE2 LYS B 42 5.231 11.180 -0.412 1.00 0.63 H new ATOM 0 HE3 LYS B 42 6.034 10.478 -1.802 1.00 0.63 H new ATOM 0 HZ1 LYS B 42 5.251 12.539 -2.512 1.00 0.78 H new ATOM 0 HZ2 LYS B 42 4.132 11.435 -3.154 1.00 0.78 H new ATOM 0 HZ3 LYS B 42 3.734 12.341 -1.774 1.00 0.78 H new ATOM 1599 N ILE B 43 3.907 5.688 -3.325 1.00 0.17 N ATOM 1600 CA ILE B 43 2.656 5.034 -3.677 1.00 0.16 C ATOM 1601 C ILE B 43 1.561 5.482 -2.718 1.00 0.18 C ATOM 1602 O ILE B 43 1.815 5.674 -1.531 1.00 0.21 O ATOM 1603 CB ILE B 43 2.785 3.493 -3.636 1.00 0.16 C ATOM 1604 CG1 ILE B 43 3.830 2.998 -4.645 1.00 0.18 C ATOM 1605 CG2 ILE B 43 1.440 2.837 -3.905 1.00 0.15 C ATOM 1606 CD1 ILE B 43 3.422 3.171 -6.096 1.00 0.22 C ATOM 0 H ILE B 43 4.238 5.480 -2.383 1.00 0.17 H new ATOM 0 HA ILE B 43 2.401 5.321 -4.697 1.00 0.16 H new ATOM 0 HB ILE B 43 3.118 3.212 -2.637 1.00 0.16 H new ATOM 0 HG12 ILE B 43 4.765 3.533 -4.476 1.00 0.18 H new ATOM 0 HG13 ILE B 43 4.028 1.943 -4.458 1.00 0.18 H new ATOM 0 HG21 ILE B 43 1.551 1.753 -3.872 1.00 0.15 H new ATOM 0 HG22 ILE B 43 0.723 3.152 -3.146 1.00 0.15 H new ATOM 0 HG23 ILE B 43 1.080 3.135 -4.890 1.00 0.15 H new ATOM 0 HD11 ILE B 43 4.215 2.797 -6.744 1.00 0.22 H new ATOM 0 HD12 ILE B 43 2.505 2.613 -6.285 1.00 0.22 H new ATOM 0 HD13 ILE B 43 3.253 4.228 -6.303 1.00 0.22 H new ATOM 1618 N ILE B 44 0.352 5.660 -3.227 1.00 0.16 N ATOM 1619 CA ILE B 44 -0.733 6.171 -2.410 1.00 0.19 C ATOM 1620 C ILE B 44 -1.926 5.231 -2.475 1.00 0.20 C ATOM 1621 O ILE B 44 -2.397 4.897 -3.559 1.00 0.26 O ATOM 1622 CB ILE B 44 -1.153 7.584 -2.860 1.00 0.21 C ATOM 1623 CG1 ILE B 44 0.087 8.445 -3.132 1.00 0.22 C ATOM 1624 CG2 ILE B 44 -2.028 8.231 -1.796 1.00 0.30 C ATOM 1625 CD1 ILE B 44 -0.228 9.853 -3.591 1.00 0.25 C ATOM 0 H ILE B 44 0.100 5.459 -4.195 1.00 0.16 H new ATOM 0 HA ILE B 44 -0.378 6.233 -1.381 1.00 0.19 H new ATOM 0 HB ILE B 44 -1.727 7.505 -3.783 1.00 0.21 H new ATOM 0 HG12 ILE B 44 0.687 8.496 -2.224 1.00 0.22 H new ATOM 0 HG13 ILE B 44 0.697 7.955 -3.890 1.00 0.22 H new ATOM 0 HG21 ILE B 44 -2.320 9.229 -2.123 1.00 0.30 H new ATOM 0 HG22 ILE B 44 -2.920 7.625 -1.641 1.00 0.30 H new ATOM 0 HG23 ILE B 44 -1.471 8.303 -0.862 1.00 0.30 H new ATOM 0 HD11 ILE B 44 0.701 10.396 -3.762 1.00 0.25 H new ATOM 0 HD12 ILE B 44 -0.801 9.814 -4.517 1.00 0.25 H new ATOM 0 HD13 ILE B 44 -0.811 10.364 -2.825 1.00 0.25 H new ATOM 1637 N LEU B 45 -2.395 4.793 -1.315 1.00 0.18 N ATOM 1638 CA LEU B 45 -3.468 3.811 -1.249 1.00 0.19 C ATOM 1639 C LEU B 45 -4.781 4.435 -0.791 1.00 0.20 C ATOM 1640 O LEU B 45 -4.839 5.125 0.231 1.00 0.25 O ATOM 1641 CB LEU B 45 -3.082 2.648 -0.329 1.00 0.20 C ATOM 1642 CG LEU B 45 -2.331 1.491 -1.005 1.00 0.19 C ATOM 1643 CD1 LEU B 45 -1.019 1.950 -1.612 1.00 0.19 C ATOM 1644 CD2 LEU B 45 -2.079 0.374 -0.010 1.00 0.24 C ATOM 0 H LEU B 45 -2.049 5.102 -0.407 1.00 0.18 H new ATOM 0 HA LEU B 45 -3.618 3.428 -2.258 1.00 0.19 H new ATOM 0 HB2 LEU B 45 -2.463 3.037 0.479 1.00 0.20 H new ATOM 0 HB3 LEU B 45 -3.989 2.252 0.127 1.00 0.20 H new ATOM 0 HG LEU B 45 -2.961 1.120 -1.813 1.00 0.19 H new ATOM 0 HD11 LEU B 45 -0.518 1.102 -2.080 1.00 0.19 H new ATOM 0 HD12 LEU B 45 -1.214 2.716 -2.362 1.00 0.19 H new ATOM 0 HD13 LEU B 45 -0.381 2.362 -0.830 1.00 0.19 H new ATOM 0 HD21 LEU B 45 -1.546 -0.439 -0.503 1.00 0.24 H new ATOM 0 HD22 LEU B 45 -1.479 0.752 0.817 1.00 0.24 H new ATOM 0 HD23 LEU B 45 -3.031 0.005 0.372 1.00 0.24 H new ATOM 1656 N LYS B 46 -5.824 4.174 -1.570 1.00 0.19 N ATOM 1657 CA LYS B 46 -7.158 4.705 -1.325 1.00 0.24 C ATOM 1658 C LYS B 46 -8.217 3.654 -1.674 1.00 0.20 C ATOM 1659 O LYS B 46 -8.095 2.958 -2.677 1.00 0.30 O ATOM 1660 CB LYS B 46 -7.368 5.959 -2.183 1.00 0.38 C ATOM 1661 CG LYS B 46 -8.800 6.469 -2.203 1.00 0.99 C ATOM 1662 CD LYS B 46 -9.172 7.015 -3.573 1.00 1.11 C ATOM 1663 CE LYS B 46 -8.968 5.963 -4.658 1.00 1.14 C ATOM 1664 NZ LYS B 46 -9.527 6.383 -5.969 1.00 1.85 N ATOM 0 H LYS B 46 -5.766 3.581 -2.398 1.00 0.19 H new ATOM 0 HA LYS B 46 -7.255 4.962 -0.270 1.00 0.24 H new ATOM 0 HB2 LYS B 46 -6.717 6.751 -1.813 1.00 0.38 H new ATOM 0 HB3 LYS B 46 -7.057 5.742 -3.205 1.00 0.38 H new ATOM 0 HG2 LYS B 46 -9.480 5.661 -1.934 1.00 0.99 H new ATOM 0 HG3 LYS B 46 -8.921 7.250 -1.453 1.00 0.99 H new ATOM 0 HD2 LYS B 46 -10.213 7.340 -3.568 1.00 1.11 H new ATOM 0 HD3 LYS B 46 -8.565 7.893 -3.795 1.00 1.11 H new ATOM 0 HE2 LYS B 46 -7.903 5.761 -4.769 1.00 1.14 H new ATOM 0 HE3 LYS B 46 -9.438 5.030 -4.348 1.00 1.14 H new ATOM 0 HZ1 LYS B 46 -9.393 5.621 -6.664 1.00 1.85 H new ATOM 0 HZ2 LYS B 46 -10.542 6.583 -5.865 1.00 1.85 H new ATOM 0 HZ3 LYS B 46 -9.037 7.240 -6.297 1.00 1.85 H new ATOM 1678 N LYS B 47 -9.250 3.535 -0.849 1.00 0.22 N ATOM 1679 CA LYS B 47 -10.352 2.617 -1.135 1.00 0.22 C ATOM 1680 C LYS B 47 -11.152 3.160 -2.325 1.00 0.25 C ATOM 1681 O LYS B 47 -11.266 4.372 -2.497 1.00 0.41 O ATOM 1682 CB LYS B 47 -11.240 2.454 0.115 1.00 0.26 C ATOM 1683 CG LYS B 47 -12.050 1.156 0.175 1.00 0.28 C ATOM 1684 CD LYS B 47 -13.299 1.211 -0.682 1.00 0.44 C ATOM 1685 CE LYS B 47 -14.123 -0.060 -0.560 1.00 0.51 C ATOM 1686 NZ LYS B 47 -14.795 -0.172 0.759 1.00 0.43 N ATOM 0 H LYS B 47 -9.350 4.059 0.020 1.00 0.22 H new ATOM 0 HA LYS B 47 -9.965 1.631 -1.394 1.00 0.22 H new ATOM 0 HB2 LYS B 47 -10.607 2.509 1.000 1.00 0.26 H new ATOM 0 HB3 LYS B 47 -11.930 3.296 0.163 1.00 0.26 H new ATOM 0 HG2 LYS B 47 -11.425 0.326 -0.153 1.00 0.28 H new ATOM 0 HG3 LYS B 47 -12.331 0.954 1.209 1.00 0.28 H new ATOM 0 HD2 LYS B 47 -13.905 2.067 -0.386 1.00 0.44 H new ATOM 0 HD3 LYS B 47 -13.018 1.364 -1.724 1.00 0.44 H new ATOM 0 HE2 LYS B 47 -14.873 -0.081 -1.350 1.00 0.51 H new ATOM 0 HE3 LYS B 47 -13.477 -0.925 -0.711 1.00 0.51 H new ATOM 0 HZ1 LYS B 47 -15.317 -1.070 0.808 1.00 0.43 H new ATOM 0 HZ2 LYS B 47 -14.082 -0.145 1.515 1.00 0.43 H new ATOM 0 HZ3 LYS B 47 -15.458 0.620 0.879 1.00 0.43 H new ATOM 1700 N TYR B 48 -11.693 2.265 -3.140 1.00 0.22 N ATOM 1701 CA TYR B 48 -12.357 2.650 -4.386 1.00 0.23 C ATOM 1702 C TYR B 48 -13.613 3.483 -4.116 1.00 0.25 C ATOM 1703 O TYR B 48 -13.806 4.544 -4.708 1.00 0.29 O ATOM 1704 CB TYR B 48 -12.730 1.392 -5.174 1.00 0.27 C ATOM 1705 CG TYR B 48 -13.147 1.663 -6.605 1.00 0.34 C ATOM 1706 CD1 TYR B 48 -12.204 1.693 -7.626 1.00 0.96 C ATOM 1707 CD2 TYR B 48 -14.479 1.888 -6.935 1.00 1.12 C ATOM 1708 CE1 TYR B 48 -12.576 1.938 -8.933 1.00 1.03 C ATOM 1709 CE2 TYR B 48 -14.857 2.134 -8.241 1.00 1.17 C ATOM 1710 CZ TYR B 48 -13.902 2.158 -9.234 1.00 0.59 C ATOM 1711 OH TYR B 48 -14.273 2.402 -10.537 1.00 0.74 O ATOM 0 H TYR B 48 -11.687 1.261 -2.962 1.00 0.22 H new ATOM 0 HA TYR B 48 -11.667 3.262 -4.966 1.00 0.23 H new ATOM 0 HB2 TYR B 48 -11.878 0.712 -5.177 1.00 0.27 H new ATOM 0 HB3 TYR B 48 -13.544 0.881 -4.660 1.00 0.27 H new ATOM 0 HD1 TYR B 48 -11.163 1.522 -7.393 1.00 0.96 H new ATOM 0 HD2 TYR B 48 -15.230 1.870 -6.159 1.00 1.12 H new ATOM 0 HE1 TYR B 48 -11.831 1.957 -9.715 1.00 1.03 H new ATOM 0 HE2 TYR B 48 -15.895 2.307 -8.482 1.00 1.17 H new ATOM 0 HH TYR B 48 -15.243 2.535 -10.581 1.00 0.74 H new ATOM 1721 N LYS B 49 -14.460 2.966 -3.230 1.00 0.32 N ATOM 1722 CA LYS B 49 -15.728 3.601 -2.859 1.00 0.46 C ATOM 1723 C LYS B 49 -15.579 5.101 -2.533 1.00 0.54 C ATOM 1724 O LYS B 49 -16.251 5.914 -3.168 1.00 0.61 O ATOM 1725 CB LYS B 49 -16.362 2.833 -1.688 1.00 0.61 C ATOM 1726 CG LYS B 49 -17.794 3.239 -1.347 1.00 0.97 C ATOM 1727 CD LYS B 49 -17.843 4.456 -0.433 1.00 2.15 C ATOM 1728 CE LYS B 49 -19.265 4.778 0.003 1.00 2.61 C ATOM 1729 NZ LYS B 49 -19.860 3.689 0.824 1.00 2.92 N ATOM 0 H LYS B 49 -14.287 2.087 -2.743 1.00 0.32 H new ATOM 0 HA LYS B 49 -16.388 3.553 -3.725 1.00 0.46 H new ATOM 0 HB2 LYS B 49 -16.349 1.769 -1.922 1.00 0.61 H new ATOM 0 HB3 LYS B 49 -15.741 2.973 -0.803 1.00 0.61 H new ATOM 0 HG2 LYS B 49 -18.338 3.455 -2.267 1.00 0.97 H new ATOM 0 HG3 LYS B 49 -18.302 2.404 -0.865 1.00 0.97 H new ATOM 0 HD2 LYS B 49 -17.225 4.275 0.447 1.00 2.15 H new ATOM 0 HD3 LYS B 49 -17.418 5.316 -0.950 1.00 2.15 H new ATOM 0 HE2 LYS B 49 -19.267 5.705 0.576 1.00 2.61 H new ATOM 0 HE3 LYS B 49 -19.884 4.947 -0.878 1.00 2.61 H new ATOM 0 HZ1 LYS B 49 -20.701 4.048 1.320 1.00 2.92 H new ATOM 0 HZ2 LYS B 49 -20.133 2.898 0.206 1.00 2.92 H new ATOM 0 HZ3 LYS B 49 -19.162 3.359 1.521 1.00 2.92 H new ATOM 1743 N PRO B 50 -14.729 5.497 -1.546 1.00 0.60 N ATOM 1744 CA PRO B 50 -14.516 6.914 -1.215 1.00 0.82 C ATOM 1745 C PRO B 50 -14.242 7.758 -2.453 1.00 0.82 C ATOM 1746 O PRO B 50 -13.196 7.634 -3.096 1.00 1.57 O ATOM 1747 CB PRO B 50 -13.294 6.888 -0.300 1.00 1.06 C ATOM 1748 CG PRO B 50 -13.362 5.558 0.359 1.00 0.89 C ATOM 1749 CD PRO B 50 -13.928 4.619 -0.671 1.00 0.53 C ATOM 0 HA PRO B 50 -15.395 7.363 -0.753 1.00 0.82 H new ATOM 0 HB2 PRO B 50 -12.370 7.006 -0.866 1.00 1.06 H new ATOM 0 HB3 PRO B 50 -13.326 7.697 0.430 1.00 1.06 H new ATOM 0 HG2 PRO B 50 -12.374 5.232 0.685 1.00 0.89 H new ATOM 0 HG3 PRO B 50 -13.995 5.593 1.246 1.00 0.89 H new ATOM 0 HD2 PRO B 50 -13.139 4.112 -1.227 1.00 0.53 H new ATOM 0 HD3 PRO B 50 -14.542 3.844 -0.212 1.00 0.53 H new ATOM 1757 N HIS B 51 -15.197 8.610 -2.788 1.00 0.97 N ATOM 1758 CA HIS B 51 -15.154 9.353 -4.031 1.00 1.13 C ATOM 1759 C HIS B 51 -14.214 10.546 -3.929 1.00 1.69 C ATOM 1760 O HIS B 51 -14.622 11.649 -3.559 1.00 2.46 O ATOM 1761 CB HIS B 51 -16.562 9.813 -4.428 1.00 2.12 C ATOM 1762 CG HIS B 51 -16.628 10.431 -5.792 1.00 2.92 C ATOM 1763 ND1 HIS B 51 -16.781 11.785 -6.000 1.00 3.83 N ATOM 1764 CD2 HIS B 51 -16.580 9.869 -7.022 1.00 3.53 C ATOM 1765 CE1 HIS B 51 -16.817 12.026 -7.296 1.00 4.68 C ATOM 1766 NE2 HIS B 51 -16.696 10.882 -7.939 1.00 4.55 N ATOM 0 H HIS B 51 -16.015 8.803 -2.210 1.00 0.97 H new ATOM 0 HA HIS B 51 -14.770 8.689 -4.806 1.00 1.13 H new ATOM 0 HB2 HIS B 51 -17.238 8.959 -4.392 1.00 2.12 H new ATOM 0 HB3 HIS B 51 -16.920 10.534 -3.694 1.00 2.12 H new ATOM 0 HD2 HIS B 51 -16.471 8.817 -7.241 1.00 3.53 H new ATOM 0 HE1 HIS B 51 -16.927 12.998 -7.754 1.00 4.68 H new ATOM 0 HE2 HIS B 51 -16.690 10.769 -8.953 1.00 4.55 H new ATOM 1775 N GLY B 52 -12.951 10.303 -4.220 1.00 2.10 N ATOM 1776 CA GLY B 52 -12.002 11.380 -4.356 1.00 3.10 C ATOM 1777 C GLY B 52 -11.679 11.613 -5.812 1.00 2.89 C ATOM 1778 O GLY B 52 -12.324 12.419 -6.484 1.00 3.12 O ATOM 0 H GLY B 52 -12.563 9.371 -4.366 1.00 2.10 H new ATOM 0 HA2 GLY B 52 -12.410 12.290 -3.917 1.00 3.10 H new ATOM 0 HA3 GLY B 52 -11.090 11.142 -3.808 1.00 3.10 H new ATOM 1782 N VAL B 53 -10.701 10.880 -6.308 1.00 2.81 N ATOM 1783 CA VAL B 53 -10.361 10.913 -7.719 1.00 2.74 C ATOM 1784 C VAL B 53 -9.720 9.588 -8.131 1.00 2.07 C ATOM 1785 O VAL B 53 -8.968 8.978 -7.361 1.00 1.96 O ATOM 1786 CB VAL B 53 -9.416 12.094 -8.052 1.00 3.42 C ATOM 1787 CG1 VAL B 53 -8.102 11.987 -7.287 1.00 3.57 C ATOM 1788 CG2 VAL B 53 -9.162 12.177 -9.550 1.00 3.62 C ATOM 0 H VAL B 53 -10.124 10.250 -5.751 1.00 2.81 H new ATOM 0 HA VAL B 53 -11.282 11.060 -8.283 1.00 2.74 H new ATOM 0 HB VAL B 53 -9.910 13.013 -7.736 1.00 3.42 H new ATOM 0 HG11 VAL B 53 -7.462 12.831 -7.544 1.00 3.57 H new ATOM 0 HG12 VAL B 53 -8.303 11.996 -6.216 1.00 3.57 H new ATOM 0 HG13 VAL B 53 -7.600 11.057 -7.554 1.00 3.57 H new ATOM 0 HG21 VAL B 53 -8.496 13.014 -9.760 1.00 3.62 H new ATOM 0 HG22 VAL B 53 -8.701 11.251 -9.893 1.00 3.62 H new ATOM 0 HG23 VAL B 53 -10.107 12.326 -10.072 1.00 3.62 H new ATOM 1798 N CYS B 54 -10.028 9.135 -9.332 1.00 1.96 N ATOM 1799 CA CYS B 54 -9.486 7.888 -9.840 1.00 1.58 C ATOM 1800 C CYS B 54 -8.976 8.074 -11.265 1.00 2.13 C ATOM 1801 O CYS B 54 -9.690 7.714 -12.219 1.00 2.76 O ATOM 1802 CB CYS B 54 -10.542 6.777 -9.772 1.00 1.96 C ATOM 1803 SG CYS B 54 -12.144 7.226 -10.486 1.00 2.82 S ATOM 1804 OXT CYS B 54 -7.854 8.593 -11.419 1.00 2.59 O ATOM 0 H CYS B 54 -10.655 9.615 -9.978 1.00 1.96 H new ATOM 0 HA CYS B 54 -8.644 7.591 -9.215 1.00 1.58 H new ATOM 0 HB2 CYS B 54 -10.160 5.897 -10.290 1.00 1.96 H new ATOM 0 HB3 CYS B 54 -10.689 6.495 -8.729 1.00 1.96 H new ATOM 0 HG CYS B 54 -11.969 7.689 -11.688 1.00 2.82 H new TER 1810 CYS B 54