USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=25 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 Set 1.1: B 46 LYS NZ :NH3+ -174:sc= 2.32 (180deg=1.52) USER MOD Set 1.2: B 54 CYS SG : rot 31:sc= 0.606 USER MOD Set 2.1: A 46 LYS NZ :NH3+ 162:sc= 2.12 (180deg=1.2) USER MOD Set 2.2: A 54 CYS SG : rot -108:sc= 2.18 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 1.03 (180deg=0.943) USER MOD Single : A 2 LYS NZ :NH3+ 159:sc= 1.51 (180deg=1.11) USER MOD Single : A 3 SER OG : rot 159:sc= -0.139 USER MOD Single : A 9 LYS NZ :NH3+ 166:sc= -0.0309 (180deg=-0.226) USER MOD Single : A 18 MET CE :methyl -147:sc= -0.699 (180deg=-1.43) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -14:sc= 0.926 USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= 0.906 (180deg=0.644) USER MOD Single : A 47 LYS NZ :NH3+ 178:sc= -1.12 (180deg=-1.21) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -164:sc= -0.025 (180deg=-0.19) USER MOD Single : A 51 HIS :FLIP no HE2:sc= -0.758 F(o=-1.5,f=-0.76) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -173:sc= 0.653 (180deg=0.616) USER MOD Single : B 2 LYS NZ :NH3+ -122:sc=-0.00628 (180deg=-1.03) USER MOD Single : B 3 SER OG : rot 160:sc=-0.000348 USER MOD Single : B 9 LYS NZ :NH3+ 166:sc= -0.0208 (180deg=-0.211) USER MOD Single : B 18 MET CE :methyl -146:sc= -1.83! (180deg=-2.16) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot 20:sc= 0.545 USER MOD Single : B 42 LYS NZ :NH3+ 171:sc= 0.699 (180deg=0.648) USER MOD Single : B 47 LYS NZ :NH3+ 171:sc= -0.0614! (180deg=-0.247) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ -166:sc=-0.00648 (180deg=-0.176) USER MOD Single : B 51 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.627 -12.913 -8.776 1.00 2.66 N ATOM 2 CA MET A 1 -8.097 -12.383 -7.500 1.00 2.32 C ATOM 3 C MET A 1 -6.785 -11.674 -7.762 1.00 1.80 C ATOM 4 O MET A 1 -6.058 -12.037 -8.686 1.00 2.36 O ATOM 5 CB MET A 1 -7.878 -13.509 -6.485 1.00 2.85 C ATOM 6 CG MET A 1 -9.162 -14.149 -5.982 1.00 3.24 C ATOM 7 SD MET A 1 -8.859 -15.434 -4.752 1.00 3.98 S ATOM 8 CE MET A 1 -10.533 -15.973 -4.407 1.00 4.57 C ATOM 0 H1 MET A 1 -9.601 -13.250 -8.634 1.00 2.66 H new ATOM 0 H2 MET A 1 -8.622 -12.160 -9.493 1.00 2.66 H new ATOM 0 H3 MET A 1 -8.031 -13.702 -9.098 1.00 2.66 H new ATOM 0 HA MET A 1 -8.824 -11.685 -7.084 1.00 2.32 H new ATOM 0 HB2 MET A 1 -7.255 -14.279 -6.941 1.00 2.85 H new ATOM 0 HB3 MET A 1 -7.324 -13.114 -5.634 1.00 2.85 H new ATOM 0 HG2 MET A 1 -9.802 -13.380 -5.549 1.00 3.24 H new ATOM 0 HG3 MET A 1 -9.704 -14.578 -6.825 1.00 3.24 H new ATOM 0 HE1 MET A 1 -10.513 -16.768 -3.662 1.00 4.57 H new ATOM 0 HE2 MET A 1 -11.114 -15.133 -4.026 1.00 4.57 H new ATOM 0 HE3 MET A 1 -10.991 -16.346 -5.323 1.00 4.57 H new ATOM 20 N LYS A 2 -6.482 -10.663 -6.962 1.00 1.18 N ATOM 21 CA LYS A 2 -5.273 -9.893 -7.174 1.00 0.75 C ATOM 22 C LYS A 2 -4.050 -10.709 -6.806 1.00 0.67 C ATOM 23 O LYS A 2 -4.160 -11.760 -6.174 1.00 1.02 O ATOM 24 CB LYS A 2 -5.301 -8.569 -6.407 1.00 0.88 C ATOM 25 CG LYS A 2 -6.337 -7.603 -6.957 1.00 0.85 C ATOM 26 CD LYS A 2 -5.842 -6.166 -6.970 1.00 1.06 C ATOM 27 CE LYS A 2 -5.731 -5.591 -5.573 1.00 1.13 C ATOM 28 NZ LYS A 2 -5.280 -4.174 -5.589 1.00 1.88 N ATOM 0 H LYS A 2 -7.051 -10.362 -6.171 1.00 1.18 H new ATOM 0 HA LYS A 2 -5.219 -9.649 -8.235 1.00 0.75 H new ATOM 0 HB2 LYS A 2 -5.513 -8.765 -5.356 1.00 0.88 H new ATOM 0 HB3 LYS A 2 -4.316 -8.105 -6.452 1.00 0.88 H new ATOM 0 HG2 LYS A 2 -6.605 -7.901 -7.971 1.00 0.85 H new ATOM 0 HG3 LYS A 2 -7.244 -7.666 -6.356 1.00 0.85 H new ATOM 0 HD2 LYS A 2 -4.868 -6.122 -7.458 1.00 1.06 H new ATOM 0 HD3 LYS A 2 -6.523 -5.553 -7.561 1.00 1.06 H new ATOM 0 HE2 LYS A 2 -6.698 -5.658 -5.075 1.00 1.13 H new ATOM 0 HE3 LYS A 2 -5.030 -6.188 -4.990 1.00 1.13 H new ATOM 0 HZ1 LYS A 2 -5.549 -3.714 -4.696 1.00 1.88 H new ATOM 0 HZ2 LYS A 2 -4.246 -4.140 -5.699 1.00 1.88 H new ATOM 0 HZ3 LYS A 2 -5.729 -3.676 -6.384 1.00 1.88 H new ATOM 42 N SER A 3 -2.898 -10.210 -7.210 1.00 0.47 N ATOM 43 CA SER A 3 -1.641 -10.924 -7.062 1.00 0.43 C ATOM 44 C SER A 3 -1.431 -11.409 -5.629 1.00 0.35 C ATOM 45 O SER A 3 -1.031 -12.548 -5.403 1.00 0.42 O ATOM 46 CB SER A 3 -0.487 -10.024 -7.497 1.00 0.48 C ATOM 47 OG SER A 3 0.746 -10.716 -7.474 1.00 0.84 O ATOM 0 H SER A 3 -2.805 -9.295 -7.652 1.00 0.47 H new ATOM 0 HA SER A 3 -1.674 -11.807 -7.700 1.00 0.43 H new ATOM 0 HB2 SER A 3 -0.676 -9.648 -8.503 1.00 0.48 H new ATOM 0 HB3 SER A 3 -0.432 -9.157 -6.838 1.00 0.48 H new ATOM 0 HG SER A 3 1.389 -10.257 -8.054 1.00 0.84 H new ATOM 53 N ILE A 4 -1.707 -10.543 -4.664 1.00 0.31 N ATOM 54 CA ILE A 4 -1.622 -10.928 -3.267 1.00 0.29 C ATOM 55 C ILE A 4 -2.988 -11.419 -2.803 1.00 0.30 C ATOM 56 O ILE A 4 -3.102 -12.394 -2.058 1.00 0.36 O ATOM 57 CB ILE A 4 -1.169 -9.748 -2.380 1.00 0.27 C ATOM 58 CG1 ILE A 4 -0.128 -8.899 -3.116 1.00 0.30 C ATOM 59 CG2 ILE A 4 -0.597 -10.268 -1.069 1.00 0.32 C ATOM 60 CD1 ILE A 4 0.412 -7.743 -2.300 1.00 0.27 C ATOM 0 H ILE A 4 -1.990 -9.576 -4.823 1.00 0.31 H new ATOM 0 HA ILE A 4 -0.880 -11.721 -3.173 1.00 0.29 H new ATOM 0 HB ILE A 4 -2.034 -9.122 -2.160 1.00 0.27 H new ATOM 0 HG12 ILE A 4 0.702 -9.539 -3.415 1.00 0.30 H new ATOM 0 HG13 ILE A 4 -0.574 -8.508 -4.031 1.00 0.30 H new ATOM 0 HG21 ILE A 4 -0.281 -9.428 -0.451 1.00 0.32 H new ATOM 0 HG22 ILE A 4 -1.360 -10.840 -0.541 1.00 0.32 H new ATOM 0 HG23 ILE A 4 0.260 -10.910 -1.275 1.00 0.32 H new ATOM 0 HD11 ILE A 4 1.143 -7.191 -2.891 1.00 0.27 H new ATOM 0 HD12 ILE A 4 -0.407 -7.079 -2.023 1.00 0.27 H new ATOM 0 HD13 ILE A 4 0.889 -8.126 -1.398 1.00 0.27 H new ATOM 72 N GLY A 5 -4.021 -10.721 -3.267 1.00 0.32 N ATOM 73 CA GLY A 5 -5.393 -11.117 -2.996 1.00 0.35 C ATOM 74 C GLY A 5 -5.839 -10.764 -1.593 1.00 0.31 C ATOM 75 O GLY A 5 -6.923 -11.152 -1.162 1.00 0.42 O ATOM 0 H GLY A 5 -3.930 -9.877 -3.833 1.00 0.32 H new ATOM 0 HA2 GLY A 5 -6.055 -10.634 -3.715 1.00 0.35 H new ATOM 0 HA3 GLY A 5 -5.492 -12.192 -3.144 1.00 0.35 H new ATOM 79 N VAL A 6 -5.008 -10.015 -0.881 1.00 0.22 N ATOM 80 CA VAL A 6 -5.307 -9.670 0.496 1.00 0.21 C ATOM 81 C VAL A 6 -5.895 -8.272 0.607 1.00 0.20 C ATOM 82 O VAL A 6 -5.549 -7.370 -0.159 1.00 0.24 O ATOM 83 CB VAL A 6 -4.066 -9.764 1.409 1.00 0.21 C ATOM 84 CG1 VAL A 6 -3.561 -11.192 1.486 1.00 0.27 C ATOM 85 CG2 VAL A 6 -2.968 -8.833 0.929 1.00 0.19 C ATOM 0 H VAL A 6 -4.128 -9.638 -1.234 1.00 0.22 H new ATOM 0 HA VAL A 6 -6.042 -10.402 0.832 1.00 0.21 H new ATOM 0 HB VAL A 6 -4.361 -9.452 2.411 1.00 0.21 H new ATOM 0 HG11 VAL A 6 -2.686 -11.234 2.135 1.00 0.27 H new ATOM 0 HG12 VAL A 6 -4.344 -11.833 1.891 1.00 0.27 H new ATOM 0 HG13 VAL A 6 -3.290 -11.536 0.488 1.00 0.27 H new ATOM 0 HG21 VAL A 6 -2.105 -8.918 1.589 1.00 0.19 H new ATOM 0 HG22 VAL A 6 -2.677 -9.106 -0.086 1.00 0.19 H new ATOM 0 HG23 VAL A 6 -3.332 -7.806 0.938 1.00 0.19 H new ATOM 95 N VAL A 7 -6.767 -8.120 1.588 1.00 0.17 N ATOM 96 CA VAL A 7 -7.428 -6.856 1.865 1.00 0.16 C ATOM 97 C VAL A 7 -7.242 -6.500 3.338 1.00 0.19 C ATOM 98 O VAL A 7 -7.247 -7.376 4.204 1.00 0.29 O ATOM 99 CB VAL A 7 -8.933 -6.895 1.487 1.00 0.17 C ATOM 100 CG1 VAL A 7 -9.641 -8.050 2.181 1.00 0.22 C ATOM 101 CG2 VAL A 7 -9.618 -5.575 1.814 1.00 0.16 C ATOM 0 H VAL A 7 -7.038 -8.874 2.219 1.00 0.17 H new ATOM 0 HA VAL A 7 -6.970 -6.084 1.246 1.00 0.16 H new ATOM 0 HB VAL A 7 -8.997 -7.052 0.410 1.00 0.17 H new ATOM 0 HG11 VAL A 7 -10.694 -8.054 1.899 1.00 0.22 H new ATOM 0 HG12 VAL A 7 -9.181 -8.992 1.881 1.00 0.22 H new ATOM 0 HG13 VAL A 7 -9.556 -7.933 3.261 1.00 0.22 H new ATOM 0 HG21 VAL A 7 -10.671 -5.633 1.538 1.00 0.16 H new ATOM 0 HG22 VAL A 7 -9.533 -5.376 2.882 1.00 0.16 H new ATOM 0 HG23 VAL A 7 -9.141 -4.769 1.256 1.00 0.16 H new ATOM 111 N ARG A 8 -7.038 -5.221 3.612 1.00 0.15 N ATOM 112 CA ARG A 8 -6.755 -4.757 4.959 1.00 0.16 C ATOM 113 C ARG A 8 -7.792 -3.753 5.399 1.00 0.15 C ATOM 114 O ARG A 8 -8.416 -3.083 4.572 1.00 0.16 O ATOM 115 CB ARG A 8 -5.364 -4.121 5.043 1.00 0.16 C ATOM 116 CG ARG A 8 -4.275 -5.071 5.515 1.00 0.25 C ATOM 117 CD ARG A 8 -4.218 -6.329 4.669 1.00 0.34 C ATOM 118 NE ARG A 8 -3.127 -7.215 5.066 1.00 0.81 N ATOM 119 CZ ARG A 8 -3.214 -8.545 5.073 1.00 0.85 C ATOM 120 NH1 ARG A 8 -4.351 -9.143 4.732 1.00 0.79 N ATOM 121 NH2 ARG A 8 -2.166 -9.278 5.433 1.00 1.43 N ATOM 0 H ARG A 8 -7.064 -4.480 2.911 1.00 0.15 H new ATOM 0 HA ARG A 8 -6.785 -5.623 5.620 1.00 0.16 H new ATOM 0 HB2 ARG A 8 -5.093 -3.734 4.061 1.00 0.16 H new ATOM 0 HB3 ARG A 8 -5.406 -3.268 5.721 1.00 0.16 H new ATOM 0 HG2 ARG A 8 -3.310 -4.565 5.479 1.00 0.25 H new ATOM 0 HG3 ARG A 8 -4.454 -5.341 6.556 1.00 0.25 H new ATOM 0 HD2 ARG A 8 -5.165 -6.863 4.751 1.00 0.34 H new ATOM 0 HD3 ARG A 8 -4.097 -6.054 3.621 1.00 0.34 H new ATOM 0 HE ARG A 8 -2.246 -6.791 5.355 1.00 0.81 H new ATOM 0 HH11 ARG A 8 -5.161 -8.584 4.464 1.00 0.79 H new ATOM 0 HH12 ARG A 8 -4.414 -10.161 4.739 1.00 0.79 H new ATOM 0 HH21 ARG A 8 -1.294 -8.823 5.704 1.00 1.43 H new ATOM 0 HH22 ARG A 8 -2.233 -10.296 5.438 1.00 1.43 H new ATOM 135 N LYS A 9 -7.993 -3.670 6.695 1.00 0.17 N ATOM 136 CA LYS A 9 -8.845 -2.652 7.259 1.00 0.18 C ATOM 137 C LYS A 9 -7.996 -1.659 8.033 1.00 0.20 C ATOM 138 O LYS A 9 -7.210 -2.047 8.904 1.00 0.24 O ATOM 139 CB LYS A 9 -9.917 -3.275 8.156 1.00 0.20 C ATOM 140 CG LYS A 9 -10.763 -4.336 7.459 1.00 0.21 C ATOM 141 CD LYS A 9 -11.350 -3.819 6.153 1.00 0.23 C ATOM 142 CE LYS A 9 -12.307 -4.818 5.521 1.00 0.67 C ATOM 143 NZ LYS A 9 -13.512 -5.047 6.363 1.00 1.22 N ATOM 0 H LYS A 9 -7.575 -4.300 7.380 1.00 0.17 H new ATOM 0 HA LYS A 9 -9.359 -2.127 6.453 1.00 0.18 H new ATOM 0 HB2 LYS A 9 -9.435 -3.722 9.026 1.00 0.20 H new ATOM 0 HB3 LYS A 9 -10.572 -2.486 8.525 1.00 0.20 H new ATOM 0 HG2 LYS A 9 -10.152 -5.216 7.260 1.00 0.21 H new ATOM 0 HG3 LYS A 9 -11.570 -4.651 8.121 1.00 0.21 H new ATOM 0 HD2 LYS A 9 -11.875 -2.882 6.338 1.00 0.23 H new ATOM 0 HD3 LYS A 9 -10.542 -3.600 5.455 1.00 0.23 H new ATOM 0 HE2 LYS A 9 -12.614 -4.455 4.540 1.00 0.67 H new ATOM 0 HE3 LYS A 9 -11.790 -5.765 5.363 1.00 0.67 H new ATOM 0 HZ1 LYS A 9 -14.238 -5.538 5.803 1.00 1.22 H new ATOM 0 HZ2 LYS A 9 -13.255 -5.630 7.185 1.00 1.22 H new ATOM 0 HZ3 LYS A 9 -13.886 -4.133 6.690 1.00 1.22 H new ATOM 157 N VAL A 10 -8.132 -0.391 7.672 1.00 0.19 N ATOM 158 CA VAL A 10 -7.390 0.697 8.299 1.00 0.19 C ATOM 159 C VAL A 10 -7.607 0.718 9.811 1.00 0.20 C ATOM 160 O VAL A 10 -8.689 0.381 10.289 1.00 0.22 O ATOM 161 CB VAL A 10 -7.833 2.056 7.699 1.00 0.21 C ATOM 162 CG1 VAL A 10 -7.267 3.221 8.486 1.00 0.26 C ATOM 163 CG2 VAL A 10 -7.423 2.159 6.241 1.00 0.24 C ATOM 0 H VAL A 10 -8.763 -0.085 6.932 1.00 0.19 H new ATOM 0 HA VAL A 10 -6.330 0.534 8.103 1.00 0.19 H new ATOM 0 HB VAL A 10 -8.920 2.103 7.762 1.00 0.21 H new ATOM 0 HG11 VAL A 10 -7.598 4.158 8.038 1.00 0.26 H new ATOM 0 HG12 VAL A 10 -7.618 3.168 9.517 1.00 0.26 H new ATOM 0 HG13 VAL A 10 -6.178 3.176 8.470 1.00 0.26 H new ATOM 0 HG21 VAL A 10 -7.744 3.120 5.840 1.00 0.24 H new ATOM 0 HG22 VAL A 10 -6.339 2.076 6.161 1.00 0.24 H new ATOM 0 HG23 VAL A 10 -7.891 1.355 5.674 1.00 0.24 H new ATOM 173 N ASP A 11 -6.567 1.093 10.560 1.00 0.21 N ATOM 174 CA ASP A 11 -6.710 1.287 11.995 1.00 0.24 C ATOM 175 C ASP A 11 -7.729 2.388 12.259 1.00 0.25 C ATOM 176 O ASP A 11 -8.840 2.126 12.719 1.00 0.33 O ATOM 177 CB ASP A 11 -5.377 1.673 12.643 1.00 0.30 C ATOM 178 CG ASP A 11 -4.372 0.540 12.694 1.00 1.07 C ATOM 179 OD1 ASP A 11 -4.663 -0.504 13.315 1.00 1.75 O ATOM 180 OD2 ASP A 11 -3.267 0.708 12.143 1.00 1.88 O ATOM 0 H ASP A 11 -5.629 1.265 10.197 1.00 0.21 H new ATOM 0 HA ASP A 11 -7.045 0.346 12.431 1.00 0.24 H new ATOM 0 HB2 ASP A 11 -4.943 2.507 12.091 1.00 0.30 H new ATOM 0 HB3 ASP A 11 -5.565 2.026 13.657 1.00 0.30 H new ATOM 185 N GLU A 12 -7.321 3.621 11.953 1.00 0.26 N ATOM 186 CA GLU A 12 -8.171 4.808 12.093 1.00 0.27 C ATOM 187 C GLU A 12 -7.655 5.902 11.170 1.00 0.26 C ATOM 188 O GLU A 12 -8.388 6.469 10.366 1.00 0.30 O ATOM 189 CB GLU A 12 -8.151 5.346 13.535 1.00 0.33 C ATOM 190 CG GLU A 12 -8.617 4.357 14.585 1.00 0.47 C ATOM 191 CD GLU A 12 -8.535 4.915 15.990 1.00 0.91 C ATOM 192 OE1 GLU A 12 -9.416 5.712 16.375 1.00 1.42 O ATOM 193 OE2 GLU A 12 -7.592 4.550 16.722 1.00 1.69 O ATOM 0 H GLU A 12 -6.387 3.827 11.599 1.00 0.26 H new ATOM 0 HA GLU A 12 -9.191 4.524 11.836 1.00 0.27 H new ATOM 0 HB2 GLU A 12 -7.136 5.661 13.777 1.00 0.33 H new ATOM 0 HB3 GLU A 12 -8.781 6.234 13.586 1.00 0.33 H new ATOM 0 HG2 GLU A 12 -9.646 4.066 14.373 1.00 0.47 H new ATOM 0 HG3 GLU A 12 -8.011 3.453 14.521 1.00 0.47 H new ATOM 200 N LEU A 13 -6.368 6.182 11.319 1.00 0.24 N ATOM 201 CA LEU A 13 -5.680 7.217 10.554 1.00 0.26 C ATOM 202 C LEU A 13 -5.619 6.860 9.073 1.00 0.26 C ATOM 203 O LEU A 13 -5.949 7.666 8.202 1.00 0.55 O ATOM 204 CB LEU A 13 -4.253 7.339 11.072 1.00 0.40 C ATOM 205 CG LEU A 13 -4.112 7.414 12.588 1.00 0.38 C ATOM 206 CD1 LEU A 13 -2.682 7.094 12.987 1.00 0.71 C ATOM 207 CD2 LEU A 13 -4.521 8.788 13.094 1.00 0.55 C ATOM 0 H LEU A 13 -5.765 5.693 11.980 1.00 0.24 H new ATOM 0 HA LEU A 13 -6.228 8.152 10.670 1.00 0.26 H new ATOM 0 HB2 LEU A 13 -3.680 6.484 10.713 1.00 0.40 H new ATOM 0 HB3 LEU A 13 -3.802 8.231 10.638 1.00 0.40 H new ATOM 0 HG LEU A 13 -4.775 6.678 13.044 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -2.586 7.149 14.071 1.00 0.71 H new ATOM 0 HD12 LEU A 13 -2.426 6.089 12.650 1.00 0.71 H new ATOM 0 HD13 LEU A 13 -2.006 7.814 12.526 1.00 0.71 H new ATOM 0 HD21 LEU A 13 -4.414 8.823 14.178 1.00 0.55 H new ATOM 0 HD22 LEU A 13 -3.883 9.547 12.642 1.00 0.55 H new ATOM 0 HD23 LEU A 13 -5.560 8.980 12.826 1.00 0.55 H new ATOM 219 N GLY A 14 -5.203 5.637 8.818 1.00 0.21 N ATOM 220 CA GLY A 14 -4.921 5.191 7.468 1.00 0.16 C ATOM 221 C GLY A 14 -3.899 4.075 7.477 1.00 0.12 C ATOM 222 O GLY A 14 -3.510 3.556 6.436 1.00 0.11 O ATOM 0 H GLY A 14 -5.051 4.928 9.535 1.00 0.21 H new ATOM 0 HA2 GLY A 14 -5.840 4.846 6.994 1.00 0.16 H new ATOM 0 HA3 GLY A 14 -4.550 6.026 6.874 1.00 0.16 H new ATOM 226 N ARG A 15 -3.473 3.697 8.678 1.00 0.12 N ATOM 227 CA ARG A 15 -2.453 2.675 8.846 1.00 0.13 C ATOM 228 C ARG A 15 -3.045 1.295 8.609 1.00 0.11 C ATOM 229 O ARG A 15 -4.100 0.968 9.150 1.00 0.13 O ATOM 230 CB ARG A 15 -1.860 2.733 10.257 1.00 0.17 C ATOM 231 CG ARG A 15 -1.467 4.128 10.703 1.00 0.21 C ATOM 232 CD ARG A 15 -0.830 4.125 12.086 1.00 0.28 C ATOM 233 NE ARG A 15 0.228 3.119 12.217 1.00 1.31 N ATOM 234 CZ ARG A 15 0.943 2.931 13.330 1.00 1.71 C ATOM 235 NH1 ARG A 15 0.751 3.711 14.386 1.00 1.58 N ATOM 236 NH2 ARG A 15 1.865 1.978 13.382 1.00 2.72 N ATOM 0 H ARG A 15 -3.823 4.088 9.553 1.00 0.12 H new ATOM 0 HA ARG A 15 -1.664 2.862 8.118 1.00 0.13 H new ATOM 0 HB2 ARG A 15 -2.586 2.328 10.962 1.00 0.17 H new ATOM 0 HB3 ARG A 15 -0.982 2.088 10.298 1.00 0.17 H new ATOM 0 HG2 ARG A 15 -0.769 4.556 9.983 1.00 0.21 H new ATOM 0 HG3 ARG A 15 -2.349 4.768 10.711 1.00 0.21 H new ATOM 0 HD2 ARG A 15 -0.416 5.112 12.293 1.00 0.28 H new ATOM 0 HD3 ARG A 15 -1.599 3.938 12.836 1.00 0.28 H new ATOM 0 HE ARG A 15 0.430 2.528 11.411 1.00 1.31 H new ATOM 0 HH11 ARG A 15 0.056 4.457 14.350 1.00 1.58 H new ATOM 0 HH12 ARG A 15 1.298 3.565 15.234 1.00 1.58 H new ATOM 0 HH21 ARG A 15 2.031 1.384 12.569 1.00 2.72 H new ATOM 0 HH22 ARG A 15 2.408 1.839 14.234 1.00 2.72 H new ATOM 250 N ILE A 16 -2.375 0.505 7.784 1.00 0.10 N ATOM 251 CA ILE A 16 -2.787 -0.869 7.533 1.00 0.10 C ATOM 252 C ILE A 16 -1.560 -1.776 7.584 1.00 0.09 C ATOM 253 O ILE A 16 -0.445 -1.308 7.817 1.00 0.10 O ATOM 254 CB ILE A 16 -3.515 -1.034 6.172 1.00 0.11 C ATOM 255 CG1 ILE A 16 -2.515 -1.157 5.026 1.00 0.12 C ATOM 256 CG2 ILE A 16 -4.473 0.123 5.925 1.00 0.14 C ATOM 257 CD1 ILE A 16 -3.145 -1.083 3.652 1.00 0.16 C ATOM 0 H ILE A 16 -1.540 0.793 7.274 1.00 0.10 H new ATOM 0 HA ILE A 16 -3.500 -1.150 8.308 1.00 0.10 H new ATOM 0 HB ILE A 16 -4.096 -1.956 6.215 1.00 0.11 H new ATOM 0 HG12 ILE A 16 -1.773 -0.364 5.118 1.00 0.12 H new ATOM 0 HG13 ILE A 16 -1.983 -2.104 5.121 1.00 0.12 H new ATOM 0 HG21 ILE A 16 -4.971 -0.015 4.965 1.00 0.14 H new ATOM 0 HG22 ILE A 16 -5.219 0.154 6.720 1.00 0.14 H new ATOM 0 HG23 ILE A 16 -3.916 1.060 5.913 1.00 0.14 H new ATOM 0 HD11 ILE A 16 -2.370 -1.178 2.891 1.00 0.16 H new ATOM 0 HD12 ILE A 16 -3.866 -1.892 3.538 1.00 0.16 H new ATOM 0 HD13 ILE A 16 -3.652 -0.125 3.536 1.00 0.16 H new ATOM 269 N VAL A 17 -1.757 -3.060 7.357 1.00 0.09 N ATOM 270 CA VAL A 17 -0.673 -4.015 7.489 1.00 0.10 C ATOM 271 C VAL A 17 -0.312 -4.615 6.136 1.00 0.11 C ATOM 272 O VAL A 17 -1.062 -5.413 5.567 1.00 0.16 O ATOM 273 CB VAL A 17 -0.997 -5.132 8.518 1.00 0.12 C ATOM 274 CG1 VAL A 17 -2.346 -5.775 8.246 1.00 0.16 C ATOM 275 CG2 VAL A 17 0.101 -6.188 8.533 1.00 0.16 C ATOM 0 H VAL A 17 -2.652 -3.465 7.082 1.00 0.09 H new ATOM 0 HA VAL A 17 0.190 -3.469 7.869 1.00 0.10 H new ATOM 0 HB VAL A 17 -1.046 -4.663 9.501 1.00 0.12 H new ATOM 0 HG11 VAL A 17 -2.535 -6.551 8.988 1.00 0.16 H new ATOM 0 HG12 VAL A 17 -3.128 -5.018 8.305 1.00 0.16 H new ATOM 0 HG13 VAL A 17 -2.344 -6.218 7.250 1.00 0.16 H new ATOM 0 HG21 VAL A 17 -0.147 -6.960 9.261 1.00 0.16 H new ATOM 0 HG22 VAL A 17 0.188 -6.637 7.543 1.00 0.16 H new ATOM 0 HG23 VAL A 17 1.049 -5.724 8.805 1.00 0.16 H new ATOM 285 N MET A 18 0.828 -4.202 5.614 1.00 0.09 N ATOM 286 CA MET A 18 1.317 -4.748 4.357 1.00 0.09 C ATOM 287 C MET A 18 2.016 -6.073 4.650 1.00 0.09 C ATOM 288 O MET A 18 2.614 -6.233 5.713 1.00 0.15 O ATOM 289 CB MET A 18 2.268 -3.764 3.661 1.00 0.12 C ATOM 290 CG MET A 18 1.760 -2.326 3.640 1.00 0.17 C ATOM 291 SD MET A 18 0.092 -2.168 2.966 1.00 0.84 S ATOM 292 CE MET A 18 0.352 -2.600 1.252 1.00 0.61 C ATOM 0 H MET A 18 1.431 -3.495 6.036 1.00 0.09 H new ATOM 0 HA MET A 18 0.481 -4.915 3.678 1.00 0.09 H new ATOM 0 HB2 MET A 18 3.235 -3.790 4.164 1.00 0.12 H new ATOM 0 HB3 MET A 18 2.433 -4.096 2.636 1.00 0.12 H new ATOM 0 HG2 MET A 18 1.774 -1.928 4.655 1.00 0.17 H new ATOM 0 HG3 MET A 18 2.443 -1.715 3.049 1.00 0.17 H new ATOM 0 HE1 MET A 18 -0.334 -2.030 0.625 1.00 0.61 H new ATOM 0 HE2 MET A 18 1.379 -2.368 0.970 1.00 0.61 H new ATOM 0 HE3 MET A 18 0.170 -3.666 1.114 1.00 0.61 H new ATOM 302 N PRO A 19 1.948 -7.049 3.738 1.00 0.09 N ATOM 303 CA PRO A 19 2.389 -8.402 4.022 1.00 0.11 C ATOM 304 C PRO A 19 3.872 -8.647 3.747 1.00 0.12 C ATOM 305 O PRO A 19 4.549 -7.872 3.054 1.00 0.12 O ATOM 306 CB PRO A 19 1.535 -9.243 3.078 1.00 0.13 C ATOM 307 CG PRO A 19 1.206 -8.350 1.924 1.00 0.14 C ATOM 308 CD PRO A 19 1.463 -6.918 2.360 1.00 0.12 C ATOM 0 HA PRO A 19 2.275 -8.637 5.080 1.00 0.11 H new ATOM 0 HB2 PRO A 19 2.076 -10.129 2.745 1.00 0.13 H new ATOM 0 HB3 PRO A 19 0.629 -9.590 3.575 1.00 0.13 H new ATOM 0 HG2 PRO A 19 1.819 -8.602 1.059 1.00 0.14 H new ATOM 0 HG3 PRO A 19 0.165 -8.478 1.626 1.00 0.14 H new ATOM 0 HD2 PRO A 19 2.201 -6.433 1.721 1.00 0.12 H new ATOM 0 HD3 PRO A 19 0.555 -6.317 2.312 1.00 0.12 H new ATOM 316 N ILE A 20 4.372 -9.749 4.290 1.00 0.16 N ATOM 317 CA ILE A 20 5.720 -10.212 4.005 1.00 0.18 C ATOM 318 C ILE A 20 5.958 -10.277 2.497 1.00 0.17 C ATOM 319 O ILE A 20 7.075 -10.075 2.030 1.00 0.18 O ATOM 320 CB ILE A 20 5.976 -11.601 4.640 1.00 0.24 C ATOM 321 CG1 ILE A 20 7.355 -12.155 4.256 1.00 0.29 C ATOM 322 CG2 ILE A 20 4.876 -12.582 4.247 1.00 0.26 C ATOM 323 CD1 ILE A 20 8.514 -11.342 4.792 1.00 0.32 C ATOM 0 H ILE A 20 3.855 -10.344 4.938 1.00 0.16 H new ATOM 0 HA ILE A 20 6.417 -9.498 4.443 1.00 0.18 H new ATOM 0 HB ILE A 20 5.962 -11.475 5.723 1.00 0.24 H new ATOM 0 HG12 ILE A 20 7.440 -13.177 4.624 1.00 0.29 H new ATOM 0 HG13 ILE A 20 7.428 -12.200 3.169 1.00 0.29 H new ATOM 0 HG21 ILE A 20 5.074 -13.552 4.703 1.00 0.26 H new ATOM 0 HG22 ILE A 20 3.913 -12.207 4.594 1.00 0.26 H new ATOM 0 HG23 ILE A 20 4.854 -12.689 3.162 1.00 0.26 H new ATOM 0 HD11 ILE A 20 9.453 -11.797 4.478 1.00 0.32 H new ATOM 0 HD12 ILE A 20 8.456 -10.325 4.403 1.00 0.32 H new ATOM 0 HD13 ILE A 20 8.469 -11.317 5.881 1.00 0.32 H new ATOM 335 N GLU A 21 4.889 -10.525 1.745 1.00 0.17 N ATOM 336 CA GLU A 21 4.957 -10.563 0.291 1.00 0.18 C ATOM 337 C GLU A 21 5.491 -9.252 -0.258 1.00 0.16 C ATOM 338 O GLU A 21 6.243 -9.247 -1.225 1.00 0.18 O ATOM 339 CB GLU A 21 3.581 -10.826 -0.304 1.00 0.21 C ATOM 340 CG GLU A 21 2.675 -11.637 0.604 1.00 0.20 C ATOM 341 CD GLU A 21 2.125 -12.884 -0.064 1.00 0.35 C ATOM 342 OE1 GLU A 21 2.910 -13.824 -0.314 1.00 0.96 O ATOM 343 OE2 GLU A 21 0.910 -12.939 -0.335 1.00 1.27 O ATOM 0 H GLU A 21 3.959 -10.704 2.125 1.00 0.17 H new ATOM 0 HA GLU A 21 5.633 -11.372 0.013 1.00 0.18 H new ATOM 0 HB2 GLU A 21 3.101 -9.873 -0.526 1.00 0.21 H new ATOM 0 HB3 GLU A 21 3.698 -11.352 -1.252 1.00 0.21 H new ATOM 0 HG2 GLU A 21 3.229 -11.925 1.497 1.00 0.20 H new ATOM 0 HG3 GLU A 21 1.845 -11.011 0.932 1.00 0.20 H new ATOM 350 N LEU A 22 5.121 -8.138 0.374 1.00 0.14 N ATOM 351 CA LEU A 22 5.586 -6.842 -0.093 1.00 0.15 C ATOM 352 C LEU A 22 7.024 -6.638 0.332 1.00 0.15 C ATOM 353 O LEU A 22 7.805 -6.034 -0.393 1.00 0.16 O ATOM 354 CB LEU A 22 4.704 -5.674 0.391 1.00 0.18 C ATOM 355 CG LEU A 22 5.381 -4.638 1.313 1.00 0.23 C ATOM 356 CD1 LEU A 22 4.672 -3.300 1.202 1.00 0.29 C ATOM 357 CD2 LEU A 22 5.397 -5.093 2.771 1.00 0.32 C ATOM 0 H LEU A 22 4.514 -8.110 1.193 1.00 0.14 H new ATOM 0 HA LEU A 22 5.517 -6.843 -1.181 1.00 0.15 H new ATOM 0 HB2 LEU A 22 4.319 -5.152 -0.485 1.00 0.18 H new ATOM 0 HB3 LEU A 22 3.845 -6.090 0.918 1.00 0.18 H new ATOM 0 HG LEU A 22 6.415 -4.536 0.985 1.00 0.23 H new ATOM 0 HD11 LEU A 22 5.157 -2.576 1.856 1.00 0.29 H new ATOM 0 HD12 LEU A 22 4.720 -2.947 0.172 1.00 0.29 H new ATOM 0 HD13 LEU A 22 3.629 -3.415 1.498 1.00 0.29 H new ATOM 0 HD21 LEU A 22 5.883 -4.334 3.384 1.00 0.32 H new ATOM 0 HD22 LEU A 22 4.374 -5.239 3.118 1.00 0.32 H new ATOM 0 HD23 LEU A 22 5.946 -6.031 2.853 1.00 0.32 H new ATOM 369 N ARG A 23 7.382 -7.153 1.509 1.00 0.17 N ATOM 370 CA ARG A 23 8.778 -7.092 1.935 1.00 0.20 C ATOM 371 C ARG A 23 9.646 -7.805 0.918 1.00 0.21 C ATOM 372 O ARG A 23 10.640 -7.263 0.446 1.00 0.23 O ATOM 373 CB ARG A 23 9.021 -7.776 3.282 1.00 0.26 C ATOM 374 CG ARG A 23 8.224 -7.262 4.465 1.00 0.35 C ATOM 375 CD ARG A 23 8.808 -7.857 5.748 1.00 0.43 C ATOM 376 NE ARG A 23 7.806 -8.168 6.768 1.00 0.58 N ATOM 377 CZ ARG A 23 7.996 -9.086 7.724 1.00 0.42 C ATOM 378 NH1 ARG A 23 9.162 -9.714 7.821 1.00 0.82 N ATOM 379 NH2 ARG A 23 7.031 -9.362 8.588 1.00 0.82 N ATOM 0 H ARG A 23 6.746 -7.604 2.166 1.00 0.17 H new ATOM 0 HA ARG A 23 9.025 -6.034 2.026 1.00 0.20 H new ATOM 0 HB2 ARG A 23 8.809 -8.839 3.166 1.00 0.26 H new ATOM 0 HB3 ARG A 23 10.081 -7.687 3.522 1.00 0.26 H new ATOM 0 HG2 ARG A 23 8.263 -6.173 4.502 1.00 0.35 H new ATOM 0 HG3 ARG A 23 7.175 -7.540 4.363 1.00 0.35 H new ATOM 0 HD2 ARG A 23 9.353 -8.767 5.499 1.00 0.43 H new ATOM 0 HD3 ARG A 23 9.531 -7.156 6.165 1.00 0.43 H new ATOM 0 HE ARG A 23 6.921 -7.661 6.750 1.00 0.58 H new ATOM 0 HH11 ARG A 23 9.914 -9.497 7.167 1.00 0.82 H new ATOM 0 HH12 ARG A 23 9.306 -10.413 8.550 1.00 0.82 H new ATOM 0 HH21 ARG A 23 6.137 -8.874 8.527 1.00 0.82 H new ATOM 0 HH22 ARG A 23 7.182 -10.062 9.314 1.00 0.82 H new ATOM 393 N ARG A 24 9.262 -9.043 0.639 1.00 0.21 N ATOM 394 CA ARG A 24 9.950 -9.898 -0.319 1.00 0.24 C ATOM 395 C ARG A 24 9.994 -9.257 -1.696 1.00 0.23 C ATOM 396 O ARG A 24 11.058 -9.163 -2.307 1.00 0.25 O ATOM 397 CB ARG A 24 9.244 -11.251 -0.404 1.00 0.25 C ATOM 398 CG ARG A 24 9.190 -12.000 0.918 1.00 0.29 C ATOM 399 CD ARG A 24 8.233 -13.183 0.844 1.00 0.33 C ATOM 400 NE ARG A 24 8.596 -14.128 -0.217 1.00 0.45 N ATOM 401 CZ ARG A 24 7.720 -14.907 -0.853 1.00 0.70 C ATOM 402 NH1 ARG A 24 6.440 -14.906 -0.503 1.00 0.87 N ATOM 403 NH2 ARG A 24 8.130 -15.708 -1.824 1.00 0.86 N ATOM 0 H ARG A 24 8.455 -9.487 1.076 1.00 0.21 H new ATOM 0 HA ARG A 24 10.975 -10.038 0.025 1.00 0.24 H new ATOM 0 HB2 ARG A 24 8.227 -11.097 -0.766 1.00 0.25 H new ATOM 0 HB3 ARG A 24 9.754 -11.871 -1.141 1.00 0.25 H new ATOM 0 HG2 ARG A 24 10.188 -12.352 1.180 1.00 0.29 H new ATOM 0 HG3 ARG A 24 8.873 -11.322 1.710 1.00 0.29 H new ATOM 0 HD2 ARG A 24 8.226 -13.702 1.803 1.00 0.33 H new ATOM 0 HD3 ARG A 24 7.221 -12.818 0.671 1.00 0.33 H new ATOM 0 HE ARG A 24 9.578 -14.193 -0.485 1.00 0.45 H new ATOM 0 HH11 ARG A 24 6.120 -14.306 0.258 1.00 0.87 H new ATOM 0 HH12 ARG A 24 5.776 -15.505 -0.995 1.00 0.87 H new ATOM 0 HH21 ARG A 24 9.116 -15.729 -2.086 1.00 0.86 H new ATOM 0 HH22 ARG A 24 7.460 -16.304 -2.311 1.00 0.86 H new ATOM 417 N ALA A 25 8.830 -8.842 -2.189 1.00 0.21 N ATOM 418 CA ALA A 25 8.735 -8.153 -3.468 1.00 0.23 C ATOM 419 C ALA A 25 9.698 -6.975 -3.534 1.00 0.24 C ATOM 420 O ALA A 25 10.373 -6.756 -4.539 1.00 0.27 O ATOM 421 CB ALA A 25 7.316 -7.668 -3.696 1.00 0.23 C ATOM 0 H ALA A 25 7.935 -8.973 -1.717 1.00 0.21 H new ATOM 0 HA ALA A 25 9.007 -8.861 -4.251 1.00 0.23 H new ATOM 0 HB1 ALA A 25 7.257 -7.154 -4.655 1.00 0.23 H new ATOM 0 HB2 ALA A 25 6.636 -8.520 -3.698 1.00 0.23 H new ATOM 0 HB3 ALA A 25 7.034 -6.981 -2.898 1.00 0.23 H new ATOM 427 N LEU A 26 9.766 -6.233 -2.442 1.00 0.24 N ATOM 428 CA LEU A 26 10.575 -5.034 -2.375 1.00 0.27 C ATOM 429 C LEU A 26 11.965 -5.326 -1.815 1.00 0.29 C ATOM 430 O LEU A 26 12.876 -5.699 -2.561 1.00 0.37 O ATOM 431 CB LEU A 26 9.851 -3.989 -1.525 1.00 0.24 C ATOM 432 CG LEU A 26 8.505 -3.524 -2.096 1.00 0.25 C ATOM 433 CD1 LEU A 26 7.852 -2.503 -1.181 1.00 0.24 C ATOM 434 CD2 LEU A 26 8.688 -2.942 -3.485 1.00 0.32 C ATOM 0 H LEU A 26 9.263 -6.446 -1.581 1.00 0.24 H new ATOM 0 HA LEU A 26 10.715 -4.647 -3.384 1.00 0.27 H new ATOM 0 HB2 LEU A 26 9.686 -4.400 -0.529 1.00 0.24 H new ATOM 0 HB3 LEU A 26 10.500 -3.121 -1.408 1.00 0.24 H new ATOM 0 HG LEU A 26 7.850 -4.392 -2.164 1.00 0.25 H new ATOM 0 HD11 LEU A 26 6.899 -2.189 -1.608 1.00 0.24 H new ATOM 0 HD12 LEU A 26 7.681 -2.949 -0.201 1.00 0.24 H new ATOM 0 HD13 LEU A 26 8.506 -1.637 -1.077 1.00 0.24 H new ATOM 0 HD21 LEU A 26 7.723 -2.618 -3.874 1.00 0.32 H new ATOM 0 HD22 LEU A 26 9.365 -2.089 -3.436 1.00 0.32 H new ATOM 0 HD23 LEU A 26 9.108 -3.701 -4.145 1.00 0.32 H new ATOM 446 N ASP A 27 12.108 -5.189 -0.501 1.00 0.27 N ATOM 447 CA ASP A 27 13.401 -5.344 0.166 1.00 0.33 C ATOM 448 C ASP A 27 13.251 -5.050 1.660 1.00 0.37 C ATOM 449 O ASP A 27 14.228 -4.782 2.357 1.00 0.59 O ATOM 450 CB ASP A 27 14.429 -4.394 -0.469 1.00 0.40 C ATOM 451 CG ASP A 27 15.847 -4.610 0.024 1.00 0.51 C ATOM 452 OD1 ASP A 27 16.382 -5.728 -0.143 1.00 1.10 O ATOM 453 OD2 ASP A 27 16.439 -3.651 0.561 1.00 1.37 O ATOM 0 H ASP A 27 11.338 -4.969 0.130 1.00 0.27 H new ATOM 0 HA ASP A 27 13.751 -6.369 0.046 1.00 0.33 H new ATOM 0 HB2 ASP A 27 14.407 -4.521 -1.551 1.00 0.40 H new ATOM 0 HB3 ASP A 27 14.135 -3.365 -0.263 1.00 0.40 H new ATOM 458 N ILE A 28 12.020 -5.145 2.162 1.00 0.28 N ATOM 459 CA ILE A 28 11.733 -4.726 3.536 1.00 0.29 C ATOM 460 C ILE A 28 12.369 -5.673 4.542 1.00 0.28 C ATOM 461 O ILE A 28 12.180 -6.889 4.468 1.00 0.29 O ATOM 462 CB ILE A 28 10.212 -4.613 3.836 1.00 0.31 C ATOM 463 CG1 ILE A 28 9.594 -3.372 3.185 1.00 0.33 C ATOM 464 CG2 ILE A 28 9.958 -4.577 5.337 1.00 0.36 C ATOM 465 CD1 ILE A 28 9.505 -3.438 1.683 1.00 0.37 C ATOM 0 H ILE A 28 11.215 -5.503 1.648 1.00 0.28 H new ATOM 0 HA ILE A 28 12.167 -3.731 3.635 1.00 0.29 H new ATOM 0 HB ILE A 28 9.738 -5.497 3.409 1.00 0.31 H new ATOM 0 HG12 ILE A 28 8.593 -3.224 3.590 1.00 0.33 H new ATOM 0 HG13 ILE A 28 10.183 -2.498 3.464 1.00 0.33 H new ATOM 0 HG21 ILE A 28 8.887 -4.498 5.523 1.00 0.36 H new ATOM 0 HG22 ILE A 28 10.339 -5.491 5.792 1.00 0.36 H new ATOM 0 HG23 ILE A 28 10.466 -3.716 5.772 1.00 0.36 H new ATOM 0 HD11 ILE A 28 9.056 -2.520 1.304 1.00 0.37 H new ATOM 0 HD12 ILE A 28 10.505 -3.553 1.264 1.00 0.37 H new ATOM 0 HD13 ILE A 28 8.890 -4.290 1.392 1.00 0.37 H new ATOM 477 N ALA A 29 13.123 -5.112 5.481 1.00 0.31 N ATOM 478 CA ALA A 29 13.724 -5.913 6.534 1.00 0.33 C ATOM 479 C ALA A 29 12.932 -5.766 7.819 1.00 0.34 C ATOM 480 O ALA A 29 12.582 -6.753 8.462 1.00 0.43 O ATOM 481 CB ALA A 29 15.187 -5.541 6.741 1.00 0.34 C ATOM 0 H ALA A 29 13.330 -4.114 5.533 1.00 0.31 H new ATOM 0 HA ALA A 29 13.695 -6.960 6.231 1.00 0.33 H new ATOM 0 HB1 ALA A 29 15.610 -6.157 7.535 1.00 0.34 H new ATOM 0 HB2 ALA A 29 15.740 -5.710 5.817 1.00 0.34 H new ATOM 0 HB3 ALA A 29 15.259 -4.490 7.020 1.00 0.34 H new ATOM 487 N ILE A 30 12.643 -4.529 8.184 1.00 0.29 N ATOM 488 CA ILE A 30 11.753 -4.257 9.298 1.00 0.32 C ATOM 489 C ILE A 30 10.961 -2.985 9.047 1.00 0.34 C ATOM 490 O ILE A 30 9.749 -2.980 9.165 1.00 0.44 O ATOM 491 CB ILE A 30 12.470 -4.134 10.661 1.00 0.34 C ATOM 492 CG1 ILE A 30 11.418 -3.773 11.727 1.00 0.42 C ATOM 493 CG2 ILE A 30 13.614 -3.118 10.607 1.00 0.31 C ATOM 494 CD1 ILE A 30 11.928 -2.924 12.869 1.00 0.39 C ATOM 0 H ILE A 30 13.012 -3.697 7.724 1.00 0.29 H new ATOM 0 HA ILE A 30 11.093 -5.123 9.358 1.00 0.32 H new ATOM 0 HB ILE A 30 12.934 -5.085 10.923 1.00 0.34 H new ATOM 0 HG12 ILE A 30 10.597 -3.246 11.241 1.00 0.42 H new ATOM 0 HG13 ILE A 30 11.006 -4.696 12.136 1.00 0.42 H new ATOM 0 HG21 ILE A 30 14.094 -3.059 11.584 1.00 0.31 H new ATOM 0 HG22 ILE A 30 14.345 -3.432 9.862 1.00 0.31 H new ATOM 0 HG23 ILE A 30 13.219 -2.139 10.337 1.00 0.31 H new ATOM 0 HD11 ILE A 30 11.114 -2.724 13.565 1.00 0.39 H new ATOM 0 HD12 ILE A 30 12.727 -3.454 13.388 1.00 0.39 H new ATOM 0 HD13 ILE A 30 12.311 -1.981 12.479 1.00 0.39 H new ATOM 506 N LYS A 31 11.656 -1.909 8.711 1.00 0.32 N ATOM 507 CA LYS A 31 11.009 -0.632 8.465 1.00 0.37 C ATOM 508 C LYS A 31 11.199 -0.236 7.009 1.00 0.37 C ATOM 509 O LYS A 31 10.291 0.287 6.366 1.00 0.57 O ATOM 510 CB LYS A 31 11.587 0.443 9.392 1.00 0.39 C ATOM 511 CG LYS A 31 11.650 0.026 10.855 1.00 0.39 C ATOM 512 CD LYS A 31 11.707 1.227 11.784 1.00 0.45 C ATOM 513 CE LYS A 31 10.445 2.071 11.679 1.00 0.46 C ATOM 514 NZ LYS A 31 10.433 3.183 12.665 1.00 0.65 N ATOM 0 H LYS A 31 12.670 -1.896 8.603 1.00 0.32 H new ATOM 0 HA LYS A 31 9.943 -0.725 8.671 1.00 0.37 H new ATOM 0 HB2 LYS A 31 12.591 0.699 9.054 1.00 0.39 H new ATOM 0 HB3 LYS A 31 10.982 1.346 9.307 1.00 0.39 H new ATOM 0 HG2 LYS A 31 10.777 -0.580 11.098 1.00 0.39 H new ATOM 0 HG3 LYS A 31 12.527 -0.600 11.017 1.00 0.39 H new ATOM 0 HD2 LYS A 31 11.835 0.888 12.812 1.00 0.45 H new ATOM 0 HD3 LYS A 31 12.576 1.837 11.539 1.00 0.45 H new ATOM 0 HE2 LYS A 31 10.365 2.479 10.672 1.00 0.46 H new ATOM 0 HE3 LYS A 31 9.572 1.438 11.836 1.00 0.46 H new ATOM 0 HZ1 LYS A 31 9.556 3.732 12.559 1.00 0.65 H new ATOM 0 HZ2 LYS A 31 10.483 2.794 13.628 1.00 0.65 H new ATOM 0 HZ3 LYS A 31 11.252 3.803 12.499 1.00 0.65 H new ATOM 528 N ASP A 32 12.394 -0.518 6.510 1.00 0.24 N ATOM 529 CA ASP A 32 12.752 -0.313 5.110 1.00 0.25 C ATOM 530 C ASP A 32 12.355 1.074 4.577 1.00 0.35 C ATOM 531 O ASP A 32 12.867 2.075 5.073 1.00 0.84 O ATOM 532 CB ASP A 32 12.158 -1.432 4.270 1.00 0.31 C ATOM 533 CG ASP A 32 13.074 -1.806 3.139 1.00 1.17 C ATOM 534 OD1 ASP A 32 14.275 -2.012 3.398 1.00 1.91 O ATOM 535 OD2 ASP A 32 12.604 -1.908 1.996 1.00 1.80 O ATOM 0 H ASP A 32 13.154 -0.901 7.072 1.00 0.24 H new ATOM 0 HA ASP A 32 13.839 -0.344 5.037 1.00 0.25 H new ATOM 0 HB2 ASP A 32 11.976 -2.304 4.898 1.00 0.31 H new ATOM 0 HB3 ASP A 32 11.193 -1.119 3.872 1.00 0.31 H new ATOM 540 N SER A 33 11.405 1.133 3.622 1.00 0.25 N ATOM 541 CA SER A 33 11.036 2.371 2.899 1.00 0.19 C ATOM 542 C SER A 33 9.977 2.037 1.846 1.00 0.19 C ATOM 543 O SER A 33 10.267 1.298 0.907 1.00 0.28 O ATOM 544 CB SER A 33 12.221 3.018 2.147 1.00 0.24 C ATOM 545 OG SER A 33 13.287 3.394 3.002 1.00 0.27 O ATOM 0 H SER A 33 10.867 0.318 3.327 1.00 0.25 H new ATOM 0 HA SER A 33 10.679 3.071 3.655 1.00 0.19 H new ATOM 0 HB2 SER A 33 12.594 2.318 1.399 1.00 0.24 H new ATOM 0 HB3 SER A 33 11.866 3.898 1.611 1.00 0.24 H new ATOM 0 HG SER A 33 12.983 3.371 3.933 1.00 0.27 H new ATOM 551 N ILE A 34 8.760 2.556 1.986 1.00 0.16 N ATOM 552 CA ILE A 34 7.734 2.322 0.966 1.00 0.18 C ATOM 553 C ILE A 34 7.077 3.634 0.547 1.00 0.15 C ATOM 554 O ILE A 34 6.466 4.310 1.363 1.00 0.16 O ATOM 555 CB ILE A 34 6.624 1.346 1.428 1.00 0.26 C ATOM 556 CG1 ILE A 34 7.191 0.146 2.192 1.00 0.46 C ATOM 557 CG2 ILE A 34 5.837 0.859 0.226 1.00 0.76 C ATOM 558 CD1 ILE A 34 7.328 0.395 3.675 1.00 0.58 C ATOM 0 H ILE A 34 8.461 3.129 2.775 1.00 0.16 H new ATOM 0 HA ILE A 34 8.257 1.867 0.125 1.00 0.18 H new ATOM 0 HB ILE A 34 5.970 1.892 2.109 1.00 0.26 H new ATOM 0 HG12 ILE A 34 6.543 -0.716 2.033 1.00 0.46 H new ATOM 0 HG13 ILE A 34 8.168 -0.109 1.781 1.00 0.46 H new ATOM 0 HG21 ILE A 34 5.057 0.173 0.556 1.00 0.76 H new ATOM 0 HG22 ILE A 34 5.381 1.710 -0.280 1.00 0.76 H new ATOM 0 HG23 ILE A 34 6.506 0.344 -0.463 1.00 0.76 H new ATOM 0 HD11 ILE A 34 7.735 -0.494 4.157 1.00 0.58 H new ATOM 0 HD12 ILE A 34 7.999 1.238 3.842 1.00 0.58 H new ATOM 0 HD13 ILE A 34 6.349 0.621 4.098 1.00 0.58 H new ATOM 570 N GLU A 35 7.186 3.975 -0.726 1.00 0.13 N ATOM 571 CA GLU A 35 6.646 5.231 -1.233 1.00 0.13 C ATOM 572 C GLU A 35 5.497 4.947 -2.196 1.00 0.13 C ATOM 573 O GLU A 35 5.588 4.038 -3.030 1.00 0.17 O ATOM 574 CB GLU A 35 7.746 6.059 -1.911 1.00 0.16 C ATOM 575 CG GLU A 35 7.251 7.379 -2.478 1.00 0.23 C ATOM 576 CD GLU A 35 8.370 8.255 -2.999 1.00 0.38 C ATOM 577 OE1 GLU A 35 8.938 7.928 -4.062 1.00 1.13 O ATOM 578 OE2 GLU A 35 8.669 9.284 -2.361 1.00 1.21 O ATOM 0 H GLU A 35 7.645 3.399 -1.432 1.00 0.13 H new ATOM 0 HA GLU A 35 6.261 5.816 -0.398 1.00 0.13 H new ATOM 0 HB2 GLU A 35 8.537 6.257 -1.188 1.00 0.16 H new ATOM 0 HB3 GLU A 35 8.189 5.471 -2.715 1.00 0.16 H new ATOM 0 HG2 GLU A 35 6.547 7.180 -3.286 1.00 0.23 H new ATOM 0 HG3 GLU A 35 6.705 7.919 -1.704 1.00 0.23 H new ATOM 585 N PHE A 36 4.415 5.720 -2.084 1.00 0.13 N ATOM 586 CA PHE A 36 3.193 5.403 -2.821 1.00 0.12 C ATOM 587 C PHE A 36 2.824 6.449 -3.878 1.00 0.14 C ATOM 588 O PHE A 36 3.144 7.637 -3.775 1.00 0.16 O ATOM 589 CB PHE A 36 1.991 5.204 -1.885 1.00 0.15 C ATOM 590 CG PHE A 36 2.335 5.017 -0.438 1.00 0.14 C ATOM 591 CD1 PHE A 36 3.051 3.910 -0.018 1.00 1.11 C ATOM 592 CD2 PHE A 36 1.923 5.941 0.504 1.00 1.24 C ATOM 593 CE1 PHE A 36 3.349 3.730 1.314 1.00 1.06 C ATOM 594 CE2 PHE A 36 2.221 5.766 1.838 1.00 1.33 C ATOM 595 CZ PHE A 36 2.935 4.660 2.243 1.00 0.36 C ATOM 0 H PHE A 36 4.360 6.555 -1.501 1.00 0.13 H new ATOM 0 HA PHE A 36 3.420 4.469 -3.335 1.00 0.12 H new ATOM 0 HB2 PHE A 36 1.332 6.067 -1.977 1.00 0.15 H new ATOM 0 HB3 PHE A 36 1.427 4.335 -2.223 1.00 0.15 H new ATOM 0 HD1 PHE A 36 3.379 3.180 -0.743 1.00 1.11 H new ATOM 0 HD2 PHE A 36 1.362 6.809 0.191 1.00 1.24 H new ATOM 0 HE1 PHE A 36 3.907 2.861 1.631 1.00 1.06 H new ATOM 0 HE2 PHE A 36 1.895 6.495 2.565 1.00 1.33 H new ATOM 0 HZ PHE A 36 3.170 4.522 3.288 1.00 0.36 H new ATOM 605 N PHE A 37 2.148 5.945 -4.900 1.00 0.15 N ATOM 606 CA PHE A 37 1.567 6.719 -5.987 1.00 0.17 C ATOM 607 C PHE A 37 0.068 6.513 -5.922 1.00 0.13 C ATOM 608 O PHE A 37 -0.389 5.541 -5.335 1.00 0.11 O ATOM 609 CB PHE A 37 2.111 6.186 -7.326 1.00 0.20 C ATOM 610 CG PHE A 37 1.981 7.124 -8.499 1.00 0.22 C ATOM 611 CD1 PHE A 37 0.802 7.206 -9.222 1.00 1.13 C ATOM 612 CD2 PHE A 37 3.054 7.907 -8.890 1.00 1.25 C ATOM 613 CE1 PHE A 37 0.694 8.054 -10.308 1.00 1.15 C ATOM 614 CE2 PHE A 37 2.952 8.758 -9.974 1.00 1.26 C ATOM 615 CZ PHE A 37 1.772 8.832 -10.685 1.00 0.33 C ATOM 0 H PHE A 37 1.982 4.943 -4.998 1.00 0.15 H new ATOM 0 HA PHE A 37 1.815 7.777 -5.904 1.00 0.17 H new ATOM 0 HB2 PHE A 37 3.164 5.937 -7.197 1.00 0.20 H new ATOM 0 HB3 PHE A 37 1.592 5.258 -7.566 1.00 0.20 H new ATOM 0 HD1 PHE A 37 -0.044 6.599 -8.933 1.00 1.13 H new ATOM 0 HD2 PHE A 37 3.982 7.852 -8.341 1.00 1.25 H new ATOM 0 HE1 PHE A 37 -0.232 8.109 -10.861 1.00 1.15 H new ATOM 0 HE2 PHE A 37 3.796 9.365 -10.265 1.00 1.26 H new ATOM 0 HZ PHE A 37 1.691 9.496 -11.533 1.00 0.33 H new ATOM 625 N VAL A 38 -0.693 7.420 -6.478 1.00 0.17 N ATOM 626 CA VAL A 38 -2.126 7.224 -6.571 1.00 0.18 C ATOM 627 C VAL A 38 -2.605 7.479 -7.990 1.00 0.21 C ATOM 628 O VAL A 38 -2.288 8.501 -8.598 1.00 0.25 O ATOM 629 CB VAL A 38 -2.899 8.094 -5.558 1.00 0.22 C ATOM 630 CG1 VAL A 38 -2.548 9.566 -5.695 1.00 0.26 C ATOM 631 CG2 VAL A 38 -4.399 7.889 -5.694 1.00 0.25 C ATOM 0 H VAL A 38 -0.353 8.297 -6.872 1.00 0.17 H new ATOM 0 HA VAL A 38 -2.333 6.185 -6.315 1.00 0.18 H new ATOM 0 HB VAL A 38 -2.595 7.772 -4.562 1.00 0.22 H new ATOM 0 HG11 VAL A 38 -3.113 10.144 -4.964 1.00 0.26 H new ATOM 0 HG12 VAL A 38 -1.481 9.703 -5.520 1.00 0.26 H new ATOM 0 HG13 VAL A 38 -2.798 9.908 -6.700 1.00 0.26 H new ATOM 0 HG21 VAL A 38 -4.919 8.514 -4.968 1.00 0.25 H new ATOM 0 HG22 VAL A 38 -4.714 8.163 -6.701 1.00 0.25 H new ATOM 0 HG23 VAL A 38 -4.641 6.842 -5.511 1.00 0.25 H new ATOM 641 N ASP A 39 -3.336 6.519 -8.518 1.00 0.24 N ATOM 642 CA ASP A 39 -3.803 6.575 -9.890 1.00 0.30 C ATOM 643 C ASP A 39 -5.310 6.387 -9.938 1.00 0.32 C ATOM 644 O ASP A 39 -5.803 5.259 -9.921 1.00 0.29 O ATOM 645 CB ASP A 39 -3.094 5.505 -10.730 1.00 0.30 C ATOM 646 CG ASP A 39 -3.605 5.428 -12.157 1.00 0.44 C ATOM 647 OD1 ASP A 39 -3.728 6.483 -12.810 1.00 1.27 O ATOM 648 OD2 ASP A 39 -3.887 4.304 -12.631 1.00 1.12 O ATOM 0 H ASP A 39 -3.623 5.681 -8.012 1.00 0.24 H new ATOM 0 HA ASP A 39 -3.567 7.554 -10.307 1.00 0.30 H new ATOM 0 HB2 ASP A 39 -2.024 5.714 -10.745 1.00 0.30 H new ATOM 0 HB3 ASP A 39 -3.222 4.534 -10.252 1.00 0.30 H new ATOM 653 N GLY A 40 -6.035 7.501 -9.952 1.00 0.40 N ATOM 654 CA GLY A 40 -7.487 7.455 -9.984 1.00 0.45 C ATOM 655 C GLY A 40 -8.072 6.872 -8.712 1.00 0.39 C ATOM 656 O GLY A 40 -8.355 7.600 -7.758 1.00 0.43 O ATOM 0 H GLY A 40 -5.640 8.441 -9.942 1.00 0.40 H new ATOM 0 HA2 GLY A 40 -7.877 8.462 -10.133 1.00 0.45 H new ATOM 0 HA3 GLY A 40 -7.811 6.859 -10.837 1.00 0.45 H new ATOM 660 N ASP A 41 -8.233 5.555 -8.698 1.00 0.33 N ATOM 661 CA ASP A 41 -8.761 4.844 -7.541 1.00 0.29 C ATOM 662 C ASP A 41 -7.774 3.753 -7.156 1.00 0.21 C ATOM 663 O ASP A 41 -8.141 2.735 -6.571 1.00 0.25 O ATOM 664 CB ASP A 41 -10.122 4.197 -7.846 1.00 0.35 C ATOM 665 CG ASP A 41 -11.074 5.102 -8.603 1.00 0.98 C ATOM 666 OD1 ASP A 41 -11.657 6.024 -7.994 1.00 1.74 O ATOM 667 OD2 ASP A 41 -11.259 4.880 -9.817 1.00 1.72 O ATOM 0 H ASP A 41 -8.002 4.951 -9.487 1.00 0.33 H new ATOM 0 HA ASP A 41 -8.900 5.558 -6.729 1.00 0.29 H new ATOM 0 HB2 ASP A 41 -9.960 3.289 -8.427 1.00 0.35 H new ATOM 0 HB3 ASP A 41 -10.589 3.897 -6.908 1.00 0.35 H new ATOM 672 N LYS A 42 -6.517 3.964 -7.515 1.00 0.18 N ATOM 673 CA LYS A 42 -5.465 2.992 -7.271 1.00 0.14 C ATOM 674 C LYS A 42 -4.325 3.604 -6.467 1.00 0.12 C ATOM 675 O LYS A 42 -4.107 4.812 -6.507 1.00 0.14 O ATOM 676 CB LYS A 42 -4.921 2.501 -8.609 1.00 0.12 C ATOM 677 CG LYS A 42 -3.578 1.792 -8.523 1.00 0.18 C ATOM 678 CD LYS A 42 -2.802 1.913 -9.825 1.00 0.40 C ATOM 679 CE LYS A 42 -3.564 1.308 -10.988 1.00 0.53 C ATOM 680 NZ LYS A 42 -2.917 1.606 -12.291 1.00 0.41 N ATOM 0 H LYS A 42 -6.199 4.813 -7.983 1.00 0.18 H new ATOM 0 HA LYS A 42 -5.886 2.165 -6.700 1.00 0.14 H new ATOM 0 HB2 LYS A 42 -5.648 1.822 -9.055 1.00 0.12 H new ATOM 0 HB3 LYS A 42 -4.825 3.353 -9.282 1.00 0.12 H new ATOM 0 HG2 LYS A 42 -2.992 2.217 -7.708 1.00 0.18 H new ATOM 0 HG3 LYS A 42 -3.735 0.739 -8.288 1.00 0.18 H new ATOM 0 HD2 LYS A 42 -2.597 2.964 -10.031 1.00 0.40 H new ATOM 0 HD3 LYS A 42 -1.838 1.415 -9.722 1.00 0.40 H new ATOM 0 HE2 LYS A 42 -3.631 0.228 -10.855 1.00 0.53 H new ATOM 0 HE3 LYS A 42 -4.584 1.693 -10.993 1.00 0.53 H new ATOM 0 HZ1 LYS A 42 -3.257 0.935 -13.009 1.00 0.41 H new ATOM 0 HZ2 LYS A 42 -3.154 2.576 -12.583 1.00 0.41 H new ATOM 0 HZ3 LYS A 42 -1.885 1.516 -12.195 1.00 0.41 H new ATOM 694 N ILE A 43 -3.597 2.759 -5.757 1.00 0.10 N ATOM 695 CA ILE A 43 -2.404 3.176 -5.043 1.00 0.09 C ATOM 696 C ILE A 43 -1.224 2.296 -5.462 1.00 0.08 C ATOM 697 O ILE A 43 -1.385 1.103 -5.689 1.00 0.10 O ATOM 698 CB ILE A 43 -2.645 3.107 -3.522 1.00 0.10 C ATOM 699 CG1 ILE A 43 -3.694 4.158 -3.118 1.00 0.10 C ATOM 700 CG2 ILE A 43 -1.346 3.277 -2.746 1.00 0.12 C ATOM 701 CD1 ILE A 43 -3.121 5.438 -2.531 1.00 0.15 C ATOM 0 H ILE A 43 -3.816 1.768 -5.660 1.00 0.10 H new ATOM 0 HA ILE A 43 -2.168 4.210 -5.295 1.00 0.09 H new ATOM 0 HB ILE A 43 -3.031 2.119 -3.270 1.00 0.10 H new ATOM 0 HG12 ILE A 43 -4.290 4.412 -3.995 1.00 0.10 H new ATOM 0 HG13 ILE A 43 -4.372 3.713 -2.390 1.00 0.10 H new ATOM 0 HG21 ILE A 43 -1.551 3.223 -1.677 1.00 0.12 H new ATOM 0 HG22 ILE A 43 -0.651 2.484 -3.022 1.00 0.12 H new ATOM 0 HG23 ILE A 43 -0.905 4.245 -2.983 1.00 0.12 H new ATOM 0 HD11 ILE A 43 -3.934 6.118 -2.277 1.00 0.15 H new ATOM 0 HD12 ILE A 43 -2.550 5.203 -1.633 1.00 0.15 H new ATOM 0 HD13 ILE A 43 -2.467 5.913 -3.262 1.00 0.15 H new ATOM 713 N ILE A 44 -0.053 2.898 -5.596 1.00 0.08 N ATOM 714 CA ILE A 44 1.124 2.207 -6.119 1.00 0.09 C ATOM 715 C ILE A 44 2.273 2.294 -5.122 1.00 0.11 C ATOM 716 O ILE A 44 2.663 3.383 -4.741 1.00 0.19 O ATOM 717 CB ILE A 44 1.597 2.854 -7.439 1.00 0.14 C ATOM 718 CG1 ILE A 44 0.397 3.212 -8.321 1.00 0.19 C ATOM 719 CG2 ILE A 44 2.557 1.926 -8.167 1.00 0.19 C ATOM 720 CD1 ILE A 44 0.766 3.850 -9.640 1.00 0.22 C ATOM 0 H ILE A 44 0.112 3.874 -5.348 1.00 0.08 H new ATOM 0 HA ILE A 44 0.845 1.168 -6.291 1.00 0.09 H new ATOM 0 HB ILE A 44 2.129 3.777 -7.207 1.00 0.14 H new ATOM 0 HG12 ILE A 44 -0.179 2.307 -8.516 1.00 0.19 H new ATOM 0 HG13 ILE A 44 -0.254 3.892 -7.771 1.00 0.19 H new ATOM 0 HG21 ILE A 44 2.882 2.395 -9.096 1.00 0.19 H new ATOM 0 HG22 ILE A 44 3.424 1.731 -7.536 1.00 0.19 H new ATOM 0 HG23 ILE A 44 2.054 0.986 -8.392 1.00 0.19 H new ATOM 0 HD11 ILE A 44 -0.141 4.072 -10.203 1.00 0.22 H new ATOM 0 HD12 ILE A 44 1.314 4.774 -9.456 1.00 0.22 H new ATOM 0 HD13 ILE A 44 1.391 3.165 -10.213 1.00 0.22 H new ATOM 732 N LEU A 45 2.861 1.177 -4.737 1.00 0.09 N ATOM 733 CA LEU A 45 3.899 1.202 -3.714 1.00 0.10 C ATOM 734 C LEU A 45 5.217 0.715 -4.284 1.00 0.12 C ATOM 735 O LEU A 45 5.242 -0.165 -5.142 1.00 0.16 O ATOM 736 CB LEU A 45 3.520 0.331 -2.509 1.00 0.11 C ATOM 737 CG LEU A 45 2.627 0.983 -1.450 1.00 0.14 C ATOM 738 CD1 LEU A 45 1.248 1.284 -1.999 1.00 0.17 C ATOM 739 CD2 LEU A 45 2.520 0.091 -0.224 1.00 0.23 C ATOM 0 H LEU A 45 2.645 0.252 -5.108 1.00 0.09 H new ATOM 0 HA LEU A 45 4.001 2.235 -3.381 1.00 0.10 H new ATOM 0 HB2 LEU A 45 3.015 -0.562 -2.878 1.00 0.11 H new ATOM 0 HB3 LEU A 45 4.439 0.000 -2.024 1.00 0.11 H new ATOM 0 HG LEU A 45 3.089 1.928 -1.163 1.00 0.14 H new ATOM 0 HD11 LEU A 45 0.640 1.746 -1.221 1.00 0.17 H new ATOM 0 HD12 LEU A 45 1.334 1.965 -2.845 1.00 0.17 H new ATOM 0 HD13 LEU A 45 0.776 0.357 -2.326 1.00 0.17 H new ATOM 0 HD21 LEU A 45 1.882 0.569 0.519 1.00 0.23 H new ATOM 0 HD22 LEU A 45 2.089 -0.869 -0.509 1.00 0.23 H new ATOM 0 HD23 LEU A 45 3.512 -0.068 0.198 1.00 0.23 H new ATOM 751 N LYS A 46 6.303 1.316 -3.831 1.00 0.15 N ATOM 752 CA LYS A 46 7.634 0.834 -4.163 1.00 0.24 C ATOM 753 C LYS A 46 8.576 1.100 -3.005 1.00 0.25 C ATOM 754 O LYS A 46 8.337 1.996 -2.200 1.00 0.41 O ATOM 755 CB LYS A 46 8.177 1.537 -5.408 1.00 0.45 C ATOM 756 CG LYS A 46 8.429 3.016 -5.175 1.00 0.81 C ATOM 757 CD LYS A 46 9.415 3.595 -6.170 1.00 1.10 C ATOM 758 CE LYS A 46 9.828 4.992 -5.752 1.00 1.19 C ATOM 759 NZ LYS A 46 10.787 5.603 -6.710 1.00 1.52 N ATOM 0 H LYS A 46 6.290 2.141 -3.231 1.00 0.15 H new ATOM 0 HA LYS A 46 7.567 -0.236 -4.360 1.00 0.24 H new ATOM 0 HB2 LYS A 46 9.106 1.057 -5.717 1.00 0.45 H new ATOM 0 HB3 LYS A 46 7.469 1.417 -6.228 1.00 0.45 H new ATOM 0 HG2 LYS A 46 7.486 3.558 -5.244 1.00 0.81 H new ATOM 0 HG3 LYS A 46 8.808 3.163 -4.164 1.00 0.81 H new ATOM 0 HD2 LYS A 46 10.294 2.954 -6.236 1.00 1.10 H new ATOM 0 HD3 LYS A 46 8.966 3.623 -7.163 1.00 1.10 H new ATOM 0 HE2 LYS A 46 8.943 5.623 -5.674 1.00 1.19 H new ATOM 0 HE3 LYS A 46 10.281 4.954 -4.761 1.00 1.19 H new ATOM 0 HZ1 LYS A 46 10.809 6.633 -6.569 1.00 1.52 H new ATOM 0 HZ2 LYS A 46 11.737 5.211 -6.548 1.00 1.52 H new ATOM 0 HZ3 LYS A 46 10.487 5.393 -7.683 1.00 1.52 H new ATOM 773 N LYS A 47 9.631 0.317 -2.919 1.00 0.23 N ATOM 774 CA LYS A 47 10.721 0.625 -2.012 1.00 0.25 C ATOM 775 C LYS A 47 11.440 1.844 -2.583 1.00 0.27 C ATOM 776 O LYS A 47 11.590 1.945 -3.800 1.00 0.39 O ATOM 777 CB LYS A 47 11.657 -0.585 -1.890 1.00 0.33 C ATOM 778 CG LYS A 47 12.466 -0.643 -0.597 1.00 0.40 C ATOM 779 CD LYS A 47 13.638 0.326 -0.590 1.00 0.44 C ATOM 780 CE LYS A 47 14.526 0.145 0.637 1.00 0.77 C ATOM 781 NZ LYS A 47 14.939 -1.272 0.834 1.00 0.53 N ATOM 0 H LYS A 47 9.759 -0.536 -3.464 1.00 0.23 H new ATOM 0 HA LYS A 47 10.361 0.846 -1.007 1.00 0.25 H new ATOM 0 HB2 LYS A 47 11.063 -1.495 -1.971 1.00 0.33 H new ATOM 0 HB3 LYS A 47 12.347 -0.579 -2.734 1.00 0.33 H new ATOM 0 HG2 LYS A 47 11.812 -0.420 0.246 1.00 0.40 H new ATOM 0 HG3 LYS A 47 12.838 -1.657 -0.452 1.00 0.40 H new ATOM 0 HD2 LYS A 47 14.233 0.181 -1.492 1.00 0.44 H new ATOM 0 HD3 LYS A 47 13.262 1.349 -0.617 1.00 0.44 H new ATOM 0 HE2 LYS A 47 15.414 0.769 0.535 1.00 0.77 H new ATOM 0 HE3 LYS A 47 13.993 0.492 1.522 1.00 0.77 H new ATOM 0 HZ1 LYS A 47 15.568 -1.339 1.660 1.00 0.53 H new ATOM 0 HZ2 LYS A 47 14.096 -1.860 0.992 1.00 0.53 H new ATOM 0 HZ3 LYS A 47 15.442 -1.608 -0.012 1.00 0.53 H new ATOM 795 N TYR A 48 11.857 2.772 -1.727 1.00 0.23 N ATOM 796 CA TYR A 48 12.355 4.066 -2.197 1.00 0.29 C ATOM 797 C TYR A 48 13.570 3.896 -3.115 1.00 0.38 C ATOM 798 O TYR A 48 13.615 4.449 -4.214 1.00 0.41 O ATOM 799 CB TYR A 48 12.712 4.963 -1.006 1.00 0.36 C ATOM 800 CG TYR A 48 12.829 6.426 -1.369 1.00 0.53 C ATOM 801 CD1 TYR A 48 14.001 6.943 -1.907 1.00 1.15 C ATOM 802 CD2 TYR A 48 11.755 7.289 -1.190 1.00 1.37 C ATOM 803 CE1 TYR A 48 14.100 8.277 -2.250 1.00 1.26 C ATOM 804 CE2 TYR A 48 11.845 8.623 -1.533 1.00 1.49 C ATOM 805 CZ TYR A 48 13.019 9.112 -2.064 1.00 0.93 C ATOM 806 OH TYR A 48 13.113 10.439 -2.421 1.00 1.14 O ATOM 0 H TYR A 48 11.861 2.657 -0.714 1.00 0.23 H new ATOM 0 HA TYR A 48 11.561 4.540 -2.774 1.00 0.29 H new ATOM 0 HB2 TYR A 48 11.952 4.848 -0.233 1.00 0.36 H new ATOM 0 HB3 TYR A 48 13.656 4.626 -0.577 1.00 0.36 H new ATOM 0 HD1 TYR A 48 14.848 6.291 -2.059 1.00 1.15 H new ATOM 0 HD2 TYR A 48 10.833 6.909 -0.775 1.00 1.37 H new ATOM 0 HE1 TYR A 48 15.020 8.664 -2.662 1.00 1.26 H new ATOM 0 HE2 TYR A 48 11.000 9.280 -1.386 1.00 1.49 H new ATOM 0 HH TYR A 48 12.265 10.891 -2.227 1.00 1.14 H new ATOM 816 N LYS A 49 14.549 3.140 -2.634 1.00 0.45 N ATOM 817 CA LYS A 49 15.786 2.865 -3.376 1.00 0.63 C ATOM 818 C LYS A 49 15.542 2.247 -4.777 1.00 0.71 C ATOM 819 O LYS A 49 15.911 2.862 -5.780 1.00 0.82 O ATOM 820 CB LYS A 49 16.698 1.976 -2.518 1.00 0.70 C ATOM 821 CG LYS A 49 17.998 1.556 -3.187 1.00 0.99 C ATOM 822 CD LYS A 49 18.907 0.841 -2.199 1.00 1.63 C ATOM 823 CE LYS A 49 20.057 0.125 -2.891 1.00 2.21 C ATOM 824 NZ LYS A 49 19.589 -1.035 -3.696 1.00 3.15 N ATOM 0 H LYS A 49 14.513 2.696 -1.716 1.00 0.45 H new ATOM 0 HA LYS A 49 16.276 3.819 -3.570 1.00 0.63 H new ATOM 0 HB2 LYS A 49 16.936 2.507 -1.596 1.00 0.70 H new ATOM 0 HB3 LYS A 49 16.146 1.080 -2.236 1.00 0.70 H new ATOM 0 HG2 LYS A 49 17.783 0.900 -4.031 1.00 0.99 H new ATOM 0 HG3 LYS A 49 18.507 2.433 -3.587 1.00 0.99 H new ATOM 0 HD2 LYS A 49 19.307 1.563 -1.487 1.00 1.63 H new ATOM 0 HD3 LYS A 49 18.323 0.119 -1.627 1.00 1.63 H new ATOM 0 HE2 LYS A 49 20.583 0.826 -3.538 1.00 2.21 H new ATOM 0 HE3 LYS A 49 20.773 -0.218 -2.144 1.00 2.21 H new ATOM 0 HZ1 LYS A 49 20.398 -1.648 -3.925 1.00 3.15 H new ATOM 0 HZ2 LYS A 49 18.888 -1.576 -3.150 1.00 3.15 H new ATOM 0 HZ3 LYS A 49 19.154 -0.693 -4.577 1.00 3.15 H new ATOM 838 N PRO A 50 14.936 1.035 -4.888 1.00 0.73 N ATOM 839 CA PRO A 50 14.706 0.381 -6.189 1.00 0.90 C ATOM 840 C PRO A 50 13.711 1.146 -7.060 1.00 1.00 C ATOM 841 O PRO A 50 13.010 2.037 -6.573 1.00 1.56 O ATOM 842 CB PRO A 50 14.136 -0.997 -5.821 1.00 0.99 C ATOM 843 CG PRO A 50 14.435 -1.170 -4.373 1.00 0.85 C ATOM 844 CD PRO A 50 14.433 0.207 -3.788 1.00 0.65 C ATOM 0 HA PRO A 50 15.624 0.331 -6.774 1.00 0.90 H new ATOM 0 HB2 PRO A 50 13.063 -1.042 -6.010 1.00 0.99 H new ATOM 0 HB3 PRO A 50 14.598 -1.785 -6.415 1.00 0.99 H new ATOM 0 HG2 PRO A 50 13.687 -1.800 -3.892 1.00 0.85 H new ATOM 0 HG3 PRO A 50 15.401 -1.655 -4.228 1.00 0.85 H new ATOM 0 HD2 PRO A 50 13.434 0.512 -3.478 1.00 0.65 H new ATOM 0 HD3 PRO A 50 15.073 0.272 -2.908 1.00 0.65 H new ATOM 852 N HIS A 51 13.651 0.783 -8.346 1.00 1.42 N ATOM 853 CA HIS A 51 12.835 1.491 -9.345 1.00 1.56 C ATOM 854 C HIS A 51 13.415 2.869 -9.654 1.00 1.82 C ATOM 855 O HIS A 51 13.510 3.267 -10.814 1.00 2.35 O ATOM 856 CB HIS A 51 11.373 1.630 -8.893 1.00 2.08 C ATOM 857 CG HIS A 51 10.438 0.632 -9.504 1.00 3.08 C ATOM 858 ND1 HIS A 51 9.902 0.570 -10.745 1.00 3.93 N flip ATOM 859 CD2 HIS A 51 9.911 -0.437 -8.809 1.00 3.73 C flip ATOM 860 CE1 HIS A 51 9.071 -0.520 -10.776 1.00 4.77 C flip ATOM 861 NE2 HIS A 51 9.094 -1.110 -9.598 1.00 4.67 N flip ATOM 0 H HIS A 51 14.167 -0.011 -8.726 1.00 1.42 H new ATOM 0 HA HIS A 51 12.855 0.888 -10.253 1.00 1.56 H new ATOM 0 HB2 HIS A 51 11.330 1.533 -7.808 1.00 2.08 H new ATOM 0 HB3 HIS A 51 11.024 2.633 -9.137 1.00 2.08 H new ATOM 0 HD1 HIS A 51 10.083 1.215 -11.515 1.00 3.93 H new ATOM 0 HD2 HIS A 51 10.132 -0.684 -7.781 1.00 3.73 H new ATOM 0 HE1 HIS A 51 8.491 -0.843 -11.628 1.00 4.77 H new ATOM 870 N GLY A 52 13.785 3.600 -8.611 1.00 2.13 N ATOM 871 CA GLY A 52 14.399 4.894 -8.789 1.00 2.84 C ATOM 872 C GLY A 52 13.394 5.991 -9.037 1.00 2.91 C ATOM 873 O GLY A 52 13.098 6.794 -8.151 1.00 3.15 O ATOM 0 H GLY A 52 13.668 3.314 -7.639 1.00 2.13 H new ATOM 0 HA2 GLY A 52 14.984 5.138 -7.902 1.00 2.84 H new ATOM 0 HA3 GLY A 52 15.094 4.849 -9.627 1.00 2.84 H new ATOM 877 N VAL A 53 12.859 5.996 -10.243 1.00 3.09 N ATOM 878 CA VAL A 53 11.981 7.062 -10.714 1.00 3.28 C ATOM 879 C VAL A 53 10.717 7.216 -9.855 1.00 2.62 C ATOM 880 O VAL A 53 10.178 6.242 -9.315 1.00 2.42 O ATOM 881 CB VAL A 53 11.583 6.831 -12.191 1.00 4.14 C ATOM 882 CG1 VAL A 53 10.762 5.557 -12.346 1.00 4.29 C ATOM 883 CG2 VAL A 53 10.835 8.034 -12.745 1.00 4.59 C ATOM 0 H VAL A 53 13.019 5.260 -10.930 1.00 3.09 H new ATOM 0 HA VAL A 53 12.549 7.988 -10.628 1.00 3.28 H new ATOM 0 HB VAL A 53 12.499 6.708 -12.770 1.00 4.14 H new ATOM 0 HG11 VAL A 53 10.497 5.420 -13.394 1.00 4.29 H new ATOM 0 HG12 VAL A 53 11.348 4.703 -12.006 1.00 4.29 H new ATOM 0 HG13 VAL A 53 9.853 5.635 -11.749 1.00 4.29 H new ATOM 0 HG21 VAL A 53 10.566 7.848 -13.785 1.00 4.59 H new ATOM 0 HG22 VAL A 53 9.930 8.201 -12.160 1.00 4.59 H new ATOM 0 HG23 VAL A 53 11.472 8.917 -12.688 1.00 4.59 H new ATOM 893 N CYS A 54 10.279 8.464 -9.713 1.00 2.51 N ATOM 894 CA CYS A 54 9.034 8.797 -9.036 1.00 1.97 C ATOM 895 C CYS A 54 8.226 9.739 -9.922 1.00 1.82 C ATOM 896 O CYS A 54 8.576 10.940 -9.977 1.00 2.05 O ATOM 897 CB CYS A 54 9.303 9.474 -7.689 1.00 2.32 C ATOM 898 SG CYS A 54 10.302 8.504 -6.535 1.00 3.01 S ATOM 899 OXT CYS A 54 7.268 9.278 -10.575 1.00 2.32 O ATOM 0 H CYS A 54 10.783 9.277 -10.068 1.00 2.51 H new ATOM 0 HA CYS A 54 8.479 7.877 -8.852 1.00 1.97 H new ATOM 0 HB2 CYS A 54 9.804 10.425 -7.870 1.00 2.32 H new ATOM 0 HB3 CYS A 54 8.348 9.702 -7.217 1.00 2.32 H new ATOM 0 HG CYS A 54 9.550 8.072 -5.567 1.00 3.01 H new TER 905 CYS A 54 ATOM 906 N MET B 1 8.713 13.404 -8.425 1.00 2.50 N ATOM 907 CA MET B 1 8.239 12.698 -7.212 1.00 2.21 C ATOM 908 C MET B 1 6.962 11.938 -7.518 1.00 1.71 C ATOM 909 O MET B 1 6.300 12.206 -8.522 1.00 2.31 O ATOM 910 CB MET B 1 7.985 13.675 -6.057 1.00 2.56 C ATOM 911 CG MET B 1 9.246 14.278 -5.467 1.00 3.07 C ATOM 912 SD MET B 1 8.904 15.337 -4.046 1.00 3.74 S ATOM 913 CE MET B 1 10.564 15.828 -3.583 1.00 4.38 C ATOM 0 H1 MET B 1 9.647 13.823 -8.240 1.00 2.50 H new ATOM 0 H2 MET B 1 8.786 12.729 -9.213 1.00 2.50 H new ATOM 0 H3 MET B 1 8.039 14.156 -8.675 1.00 2.50 H new ATOM 0 HA MET B 1 9.020 12.002 -6.908 1.00 2.21 H new ATOM 0 HB2 MET B 1 7.341 14.480 -6.411 1.00 2.56 H new ATOM 0 HB3 MET B 1 7.440 13.155 -5.269 1.00 2.56 H new ATOM 0 HG2 MET B 1 9.921 13.477 -5.166 1.00 3.07 H new ATOM 0 HG3 MET B 1 9.761 14.858 -6.233 1.00 3.07 H new ATOM 0 HE1 MET B 1 10.520 16.487 -2.716 1.00 4.38 H new ATOM 0 HE2 MET B 1 11.150 14.943 -3.336 1.00 4.38 H new ATOM 0 HE3 MET B 1 11.033 16.353 -4.415 1.00 4.38 H new ATOM 925 N LYS B 2 6.627 10.983 -6.658 1.00 1.10 N ATOM 926 CA LYS B 2 5.416 10.194 -6.820 1.00 0.64 C ATOM 927 C LYS B 2 4.187 11.074 -6.713 1.00 0.56 C ATOM 928 O LYS B 2 4.272 12.236 -6.317 1.00 1.00 O ATOM 929 CB LYS B 2 5.347 9.096 -5.759 1.00 0.80 C ATOM 930 CG LYS B 2 6.379 7.998 -5.934 1.00 0.68 C ATOM 931 CD LYS B 2 5.804 6.800 -6.669 1.00 0.88 C ATOM 932 CE LYS B 2 5.853 5.556 -5.797 1.00 1.04 C ATOM 933 NZ LYS B 2 5.221 4.377 -6.448 1.00 1.73 N ATOM 0 H LYS B 2 7.182 10.737 -5.838 1.00 1.10 H new ATOM 0 HA LYS B 2 5.443 9.737 -7.809 1.00 0.64 H new ATOM 0 HB2 LYS B 2 5.476 9.548 -4.775 1.00 0.80 H new ATOM 0 HB3 LYS B 2 4.352 8.651 -5.777 1.00 0.80 H new ATOM 0 HG2 LYS B 2 7.235 8.387 -6.486 1.00 0.68 H new ATOM 0 HG3 LYS B 2 6.746 7.684 -4.957 1.00 0.68 H new ATOM 0 HD2 LYS B 2 4.774 7.006 -6.959 1.00 0.88 H new ATOM 0 HD3 LYS B 2 6.365 6.628 -7.588 1.00 0.88 H new ATOM 0 HE2 LYS B 2 6.891 5.323 -5.561 1.00 1.04 H new ATOM 0 HE3 LYS B 2 5.349 5.759 -4.852 1.00 1.04 H new ATOM 0 HZ1 LYS B 2 4.452 4.019 -5.847 1.00 1.73 H new ATOM 0 HZ2 LYS B 2 4.836 4.656 -7.373 1.00 1.73 H new ATOM 0 HZ3 LYS B 2 5.933 3.630 -6.580 1.00 1.73 H new ATOM 947 N SER B 3 3.042 10.505 -7.045 1.00 0.56 N ATOM 948 CA SER B 3 1.792 11.234 -6.998 1.00 0.42 C ATOM 949 C SER B 3 1.535 11.754 -5.587 1.00 0.34 C ATOM 950 O SER B 3 1.232 12.929 -5.393 1.00 0.45 O ATOM 951 CB SER B 3 0.649 10.334 -7.462 1.00 0.50 C ATOM 952 OG SER B 3 -0.565 11.051 -7.553 1.00 0.75 O ATOM 0 H SER B 3 2.954 9.536 -7.351 1.00 0.56 H new ATOM 0 HA SER B 3 1.853 12.091 -7.669 1.00 0.42 H new ATOM 0 HB2 SER B 3 0.893 9.904 -8.433 1.00 0.50 H new ATOM 0 HB3 SER B 3 0.532 9.503 -6.766 1.00 0.50 H new ATOM 0 HG SER B 3 -1.187 10.569 -8.137 1.00 0.75 H new ATOM 958 N ILE B 4 1.683 10.876 -4.604 1.00 0.30 N ATOM 959 CA ILE B 4 1.576 11.278 -3.215 1.00 0.28 C ATOM 960 C ILE B 4 2.933 11.784 -2.747 1.00 0.31 C ATOM 961 O ILE B 4 3.038 12.775 -2.024 1.00 0.37 O ATOM 962 CB ILE B 4 1.131 10.111 -2.313 1.00 0.25 C ATOM 963 CG1 ILE B 4 0.049 9.284 -3.010 1.00 0.26 C ATOM 964 CG2 ILE B 4 0.619 10.646 -0.983 1.00 0.28 C ATOM 965 CD1 ILE B 4 -0.414 8.086 -2.211 1.00 0.28 C ATOM 0 H ILE B 4 1.877 9.885 -4.746 1.00 0.30 H new ATOM 0 HA ILE B 4 0.821 12.061 -3.143 1.00 0.28 H new ATOM 0 HB ILE B 4 1.988 9.465 -2.123 1.00 0.25 H new ATOM 0 HG12 ILE B 4 -0.808 9.925 -3.216 1.00 0.26 H new ATOM 0 HG13 ILE B 4 0.430 8.942 -3.972 1.00 0.26 H new ATOM 0 HG21 ILE B 4 0.307 9.814 -0.352 1.00 0.28 H new ATOM 0 HG22 ILE B 4 1.413 11.201 -0.484 1.00 0.28 H new ATOM 0 HG23 ILE B 4 -0.230 11.306 -1.159 1.00 0.28 H new ATOM 0 HD11 ILE B 4 -1.181 7.550 -2.770 1.00 0.28 H new ATOM 0 HD12 ILE B 4 0.431 7.423 -2.027 1.00 0.28 H new ATOM 0 HD13 ILE B 4 -0.826 8.421 -1.259 1.00 0.28 H new ATOM 977 N GLY B 5 3.968 11.085 -3.194 1.00 0.33 N ATOM 978 CA GLY B 5 5.330 11.468 -2.884 1.00 0.38 C ATOM 979 C GLY B 5 5.662 11.274 -1.424 1.00 0.34 C ATOM 980 O GLY B 5 6.450 12.028 -0.852 1.00 0.46 O ATOM 0 H GLY B 5 3.885 10.249 -3.773 1.00 0.33 H new ATOM 0 HA2 GLY B 5 6.018 10.880 -3.492 1.00 0.38 H new ATOM 0 HA3 GLY B 5 5.481 12.513 -3.153 1.00 0.38 H new ATOM 984 N VAL B 6 5.055 10.270 -0.815 1.00 0.24 N ATOM 985 CA VAL B 6 5.308 9.970 0.581 1.00 0.22 C ATOM 986 C VAL B 6 5.874 8.566 0.730 1.00 0.21 C ATOM 987 O VAL B 6 5.451 7.639 0.038 1.00 0.25 O ATOM 988 CB VAL B 6 4.038 10.107 1.455 1.00 0.22 C ATOM 989 CG1 VAL B 6 3.518 11.537 1.442 1.00 0.26 C ATOM 990 CG2 VAL B 6 2.952 9.143 1.001 1.00 0.20 C ATOM 0 H VAL B 6 4.383 9.649 -1.267 1.00 0.24 H new ATOM 0 HA VAL B 6 6.035 10.703 0.931 1.00 0.22 H new ATOM 0 HB VAL B 6 4.314 9.852 2.478 1.00 0.22 H new ATOM 0 HG11 VAL B 6 2.625 11.605 2.064 1.00 0.26 H new ATOM 0 HG12 VAL B 6 4.284 12.206 1.833 1.00 0.26 H new ATOM 0 HG13 VAL B 6 3.271 11.825 0.420 1.00 0.26 H new ATOM 0 HG21 VAL B 6 2.072 9.262 1.633 1.00 0.20 H new ATOM 0 HG22 VAL B 6 2.686 9.356 -0.034 1.00 0.20 H new ATOM 0 HG23 VAL B 6 3.319 8.119 1.078 1.00 0.20 H new ATOM 1000 N VAL B 7 6.812 8.422 1.646 1.00 0.18 N ATOM 1001 CA VAL B 7 7.427 7.137 1.913 1.00 0.16 C ATOM 1002 C VAL B 7 7.178 6.770 3.366 1.00 0.18 C ATOM 1003 O VAL B 7 7.157 7.641 4.238 1.00 0.23 O ATOM 1004 CB VAL B 7 8.948 7.132 1.592 1.00 0.17 C ATOM 1005 CG1 VAL B 7 9.729 8.028 2.546 1.00 0.20 C ATOM 1006 CG2 VAL B 7 9.499 5.709 1.598 1.00 0.19 C ATOM 0 H VAL B 7 7.167 9.186 2.222 1.00 0.18 H new ATOM 0 HA VAL B 7 6.975 6.393 1.257 1.00 0.16 H new ATOM 0 HB VAL B 7 9.074 7.541 0.590 1.00 0.17 H new ATOM 0 HG11 VAL B 7 10.788 7.998 2.289 1.00 0.20 H new ATOM 0 HG12 VAL B 7 9.365 9.052 2.464 1.00 0.20 H new ATOM 0 HG13 VAL B 7 9.594 7.676 3.569 1.00 0.20 H new ATOM 0 HG21 VAL B 7 10.565 5.731 1.371 1.00 0.19 H new ATOM 0 HG22 VAL B 7 9.346 5.264 2.581 1.00 0.19 H new ATOM 0 HG23 VAL B 7 8.980 5.115 0.846 1.00 0.19 H new ATOM 1016 N ARG B 8 6.946 5.496 3.616 1.00 0.15 N ATOM 1017 CA ARG B 8 6.604 5.019 4.941 1.00 0.16 C ATOM 1018 C ARG B 8 7.634 4.028 5.419 1.00 0.16 C ATOM 1019 O ARG B 8 8.272 3.344 4.617 1.00 0.16 O ATOM 1020 CB ARG B 8 5.225 4.349 4.943 1.00 0.16 C ATOM 1021 CG ARG B 8 4.094 5.250 5.420 1.00 0.18 C ATOM 1022 CD ARG B 8 4.111 6.606 4.737 1.00 0.23 C ATOM 1023 NE ARG B 8 2.932 7.406 5.061 1.00 0.50 N ATOM 1024 CZ ARG B 8 2.907 8.738 5.035 1.00 0.51 C ATOM 1025 NH1 ARG B 8 4.017 9.420 4.775 1.00 0.80 N ATOM 1026 NH2 ARG B 8 1.787 9.393 5.301 1.00 0.82 N ATOM 0 H ARG B 8 6.989 4.764 2.907 1.00 0.15 H new ATOM 0 HA ARG B 8 6.582 5.879 5.610 1.00 0.16 H new ATOM 0 HB2 ARG B 8 4.999 4.005 3.934 1.00 0.16 H new ATOM 0 HB3 ARG B 8 5.264 3.465 5.580 1.00 0.16 H new ATOM 0 HG2 ARG B 8 3.138 4.762 5.230 1.00 0.18 H new ATOM 0 HG3 ARG B 8 4.172 5.388 6.498 1.00 0.18 H new ATOM 0 HD2 ARG B 8 5.008 7.149 5.034 1.00 0.23 H new ATOM 0 HD3 ARG B 8 4.166 6.466 3.657 1.00 0.23 H new ATOM 0 HE ARG B 8 2.077 6.915 5.323 1.00 0.50 H new ATOM 0 HH11 ARG B 8 4.890 8.924 4.595 1.00 0.80 H new ATOM 0 HH12 ARG B 8 3.996 10.440 4.755 1.00 0.80 H new ATOM 0 HH21 ARG B 8 0.936 8.878 5.528 1.00 0.82 H new ATOM 0 HH22 ARG B 8 1.775 10.413 5.279 1.00 0.82 H new ATOM 1040 N LYS B 9 7.817 3.981 6.717 1.00 0.18 N ATOM 1041 CA LYS B 9 8.636 2.963 7.324 1.00 0.19 C ATOM 1042 C LYS B 9 7.732 1.965 8.022 1.00 0.19 C ATOM 1043 O LYS B 9 6.807 2.354 8.739 1.00 0.23 O ATOM 1044 CB LYS B 9 9.624 3.583 8.310 1.00 0.22 C ATOM 1045 CG LYS B 9 10.447 4.720 7.717 1.00 0.25 C ATOM 1046 CD LYS B 9 11.156 4.308 6.432 1.00 0.25 C ATOM 1047 CE LYS B 9 12.060 5.417 5.920 1.00 0.68 C ATOM 1048 NZ LYS B 9 13.208 5.669 6.835 1.00 0.91 N ATOM 0 H LYS B 9 7.406 4.642 7.376 1.00 0.18 H new ATOM 0 HA LYS B 9 9.217 2.453 6.556 1.00 0.19 H new ATOM 0 HB2 LYS B 9 9.075 3.956 9.175 1.00 0.22 H new ATOM 0 HB3 LYS B 9 10.299 2.807 8.671 1.00 0.22 H new ATOM 0 HG2 LYS B 9 9.796 5.570 7.514 1.00 0.25 H new ATOM 0 HG3 LYS B 9 11.185 5.051 8.447 1.00 0.25 H new ATOM 0 HD2 LYS B 9 11.746 3.409 6.612 1.00 0.25 H new ATOM 0 HD3 LYS B 9 10.417 4.058 5.671 1.00 0.25 H new ATOM 0 HE2 LYS B 9 12.436 5.151 4.932 1.00 0.68 H new ATOM 0 HE3 LYS B 9 11.480 6.333 5.805 1.00 0.68 H new ATOM 0 HZ1 LYS B 9 13.919 6.252 6.348 1.00 0.91 H new ATOM 0 HZ2 LYS B 9 12.873 6.169 7.683 1.00 0.91 H new ATOM 0 HZ3 LYS B 9 13.635 4.763 7.114 1.00 0.91 H new ATOM 1062 N VAL B 10 7.982 0.693 7.782 1.00 0.18 N ATOM 1063 CA VAL B 10 7.179 -0.370 8.352 1.00 0.19 C ATOM 1064 C VAL B 10 7.365 -0.419 9.865 1.00 0.20 C ATOM 1065 O VAL B 10 8.450 -0.128 10.365 1.00 0.23 O ATOM 1066 CB VAL B 10 7.565 -1.739 7.740 1.00 0.21 C ATOM 1067 CG1 VAL B 10 6.899 -2.870 8.488 1.00 0.27 C ATOM 1068 CG2 VAL B 10 7.202 -1.797 6.268 1.00 0.25 C ATOM 0 H VAL B 10 8.745 0.368 7.188 1.00 0.18 H new ATOM 0 HA VAL B 10 6.134 -0.164 8.122 1.00 0.19 H new ATOM 0 HB VAL B 10 8.645 -1.852 7.833 1.00 0.21 H new ATOM 0 HG11 VAL B 10 7.185 -3.821 8.040 1.00 0.27 H new ATOM 0 HG12 VAL B 10 7.214 -2.851 9.531 1.00 0.27 H new ATOM 0 HG13 VAL B 10 5.816 -2.755 8.434 1.00 0.27 H new ATOM 0 HG21 VAL B 10 7.483 -2.769 5.862 1.00 0.25 H new ATOM 0 HG22 VAL B 10 6.128 -1.653 6.152 1.00 0.25 H new ATOM 0 HG23 VAL B 10 7.734 -1.012 5.731 1.00 0.25 H new ATOM 1078 N ASP B 11 6.291 -0.735 10.586 1.00 0.20 N ATOM 1079 CA ASP B 11 6.388 -1.016 12.015 1.00 0.21 C ATOM 1080 C ASP B 11 7.425 -2.106 12.248 1.00 0.22 C ATOM 1081 O ASP B 11 8.579 -1.832 12.582 1.00 0.25 O ATOM 1082 CB ASP B 11 5.035 -1.477 12.578 1.00 0.26 C ATOM 1083 CG ASP B 11 4.097 -0.332 12.912 1.00 1.13 C ATOM 1084 OD1 ASP B 11 4.434 0.480 13.800 1.00 1.95 O ATOM 1085 OD2 ASP B 11 3.001 -0.259 12.315 1.00 1.86 O ATOM 0 H ASP B 11 5.347 -0.802 10.205 1.00 0.20 H new ATOM 0 HA ASP B 11 6.684 -0.100 12.526 1.00 0.21 H new ATOM 0 HB2 ASP B 11 4.552 -2.132 11.852 1.00 0.26 H new ATOM 0 HB3 ASP B 11 5.207 -2.069 13.477 1.00 0.26 H new ATOM 1090 N GLU B 12 6.989 -3.347 12.067 1.00 0.25 N ATOM 1091 CA GLU B 12 7.877 -4.507 12.125 1.00 0.28 C ATOM 1092 C GLU B 12 7.350 -5.598 11.201 1.00 0.28 C ATOM 1093 O GLU B 12 8.080 -6.153 10.382 1.00 0.32 O ATOM 1094 CB GLU B 12 7.967 -5.068 13.550 1.00 0.31 C ATOM 1095 CG GLU B 12 8.195 -4.019 14.623 1.00 0.35 C ATOM 1096 CD GLU B 12 8.265 -4.609 16.012 1.00 0.38 C ATOM 1097 OE1 GLU B 12 7.419 -5.464 16.340 1.00 1.11 O ATOM 1098 OE2 GLU B 12 9.172 -4.224 16.781 1.00 1.20 O ATOM 0 H GLU B 12 6.014 -3.579 11.876 1.00 0.25 H new ATOM 0 HA GLU B 12 8.870 -4.187 11.811 1.00 0.28 H new ATOM 0 HB2 GLU B 12 7.046 -5.606 13.775 1.00 0.31 H new ATOM 0 HB3 GLU B 12 8.778 -5.795 13.591 1.00 0.31 H new ATOM 0 HG2 GLU B 12 9.122 -3.486 14.412 1.00 0.35 H new ATOM 0 HG3 GLU B 12 7.390 -3.285 14.585 1.00 0.35 H new ATOM 1105 N LEU B 13 6.058 -5.882 11.340 1.00 0.26 N ATOM 1106 CA LEU B 13 5.410 -6.969 10.615 1.00 0.25 C ATOM 1107 C LEU B 13 5.200 -6.614 9.146 1.00 0.21 C ATOM 1108 O LEU B 13 5.163 -7.488 8.283 1.00 0.24 O ATOM 1109 CB LEU B 13 4.040 -7.293 11.231 1.00 0.27 C ATOM 1110 CG LEU B 13 3.881 -7.018 12.729 1.00 0.32 C ATOM 1111 CD1 LEU B 13 3.563 -5.548 12.978 1.00 0.64 C ATOM 1112 CD2 LEU B 13 2.792 -7.898 13.315 1.00 0.62 C ATOM 0 H LEU B 13 5.432 -5.365 11.958 1.00 0.26 H new ATOM 0 HA LEU B 13 6.069 -7.834 10.688 1.00 0.25 H new ATOM 0 HB2 LEU B 13 3.282 -6.720 10.697 1.00 0.27 H new ATOM 0 HB3 LEU B 13 3.827 -8.347 11.053 1.00 0.27 H new ATOM 0 HG LEU B 13 4.825 -7.253 13.221 1.00 0.32 H new ATOM 0 HD11 LEU B 13 3.454 -5.376 14.049 1.00 0.64 H new ATOM 0 HD12 LEU B 13 4.373 -4.930 12.591 1.00 0.64 H new ATOM 0 HD13 LEU B 13 2.634 -5.286 12.472 1.00 0.64 H new ATOM 0 HD21 LEU B 13 2.691 -7.691 14.380 1.00 0.62 H new ATOM 0 HD22 LEU B 13 1.847 -7.690 12.814 1.00 0.62 H new ATOM 0 HD23 LEU B 13 3.055 -8.946 13.172 1.00 0.62 H new ATOM 1124 N GLY B 14 5.054 -5.333 8.874 1.00 0.17 N ATOM 1125 CA GLY B 14 4.731 -4.888 7.532 1.00 0.14 C ATOM 1126 C GLY B 14 3.706 -3.774 7.553 1.00 0.10 C ATOM 1127 O GLY B 14 3.325 -3.243 6.515 1.00 0.09 O ATOM 0 H GLY B 14 5.153 -4.585 9.560 1.00 0.17 H new ATOM 0 HA2 GLY B 14 5.637 -4.542 7.033 1.00 0.14 H new ATOM 0 HA3 GLY B 14 4.348 -5.727 6.951 1.00 0.14 H new ATOM 1131 N ARG B 15 3.269 -3.412 8.751 1.00 0.10 N ATOM 1132 CA ARG B 15 2.282 -2.358 8.924 1.00 0.10 C ATOM 1133 C ARG B 15 2.884 -0.999 8.602 1.00 0.09 C ATOM 1134 O ARG B 15 3.968 -0.670 9.082 1.00 0.12 O ATOM 1135 CB ARG B 15 1.784 -2.326 10.368 1.00 0.17 C ATOM 1136 CG ARG B 15 0.959 -3.526 10.795 1.00 0.23 C ATOM 1137 CD ARG B 15 0.523 -3.395 12.247 1.00 0.42 C ATOM 1138 NE ARG B 15 0.338 -1.995 12.636 1.00 1.48 N ATOM 1139 CZ ARG B 15 -0.833 -1.355 12.617 1.00 1.80 C ATOM 1140 NH1 ARG B 15 -1.940 -1.980 12.236 1.00 1.45 N ATOM 1141 NH2 ARG B 15 -0.900 -0.084 12.982 1.00 2.89 N ATOM 0 H ARG B 15 3.586 -3.837 9.623 1.00 0.10 H new ATOM 0 HA ARG B 15 1.455 -2.568 8.245 1.00 0.10 H new ATOM 0 HB2 ARG B 15 2.646 -2.244 11.031 1.00 0.17 H new ATOM 0 HB3 ARG B 15 1.186 -1.426 10.509 1.00 0.17 H new ATOM 0 HG2 ARG B 15 0.082 -3.616 10.154 1.00 0.23 H new ATOM 0 HG3 ARG B 15 1.542 -4.438 10.667 1.00 0.23 H new ATOM 0 HD2 ARG B 15 -0.409 -3.940 12.397 1.00 0.42 H new ATOM 0 HD3 ARG B 15 1.270 -3.856 12.894 1.00 0.42 H new ATOM 0 HE ARG B 15 1.160 -1.474 12.942 1.00 1.48 H new ATOM 0 HH11 ARG B 15 -1.901 -2.959 11.954 1.00 1.45 H new ATOM 0 HH12 ARG B 15 -2.830 -1.481 12.225 1.00 1.45 H new ATOM 0 HH21 ARG B 15 -0.056 0.407 13.278 1.00 2.89 H new ATOM 0 HH22 ARG B 15 -1.795 0.404 12.967 1.00 2.89 H new ATOM 1155 N ILE B 16 2.193 -0.219 7.785 1.00 0.09 N ATOM 1156 CA ILE B 16 2.601 1.152 7.514 1.00 0.09 C ATOM 1157 C ILE B 16 1.371 2.056 7.543 1.00 0.09 C ATOM 1158 O ILE B 16 0.257 1.589 7.780 1.00 0.10 O ATOM 1159 CB ILE B 16 3.351 1.304 6.161 1.00 0.09 C ATOM 1160 CG1 ILE B 16 2.373 1.439 4.993 1.00 0.11 C ATOM 1161 CG2 ILE B 16 4.302 0.139 5.929 1.00 0.10 C ATOM 1162 CD1 ILE B 16 3.030 1.340 3.630 1.00 0.12 C ATOM 0 H ILE B 16 1.346 -0.512 7.297 1.00 0.09 H new ATOM 0 HA ILE B 16 3.306 1.446 8.291 1.00 0.09 H new ATOM 0 HB ILE B 16 3.939 2.220 6.215 1.00 0.09 H new ATOM 0 HG12 ILE B 16 1.612 0.663 5.077 1.00 0.11 H new ATOM 0 HG13 ILE B 16 1.860 2.398 5.070 1.00 0.11 H new ATOM 0 HG21 ILE B 16 4.813 0.271 4.975 1.00 0.10 H new ATOM 0 HG22 ILE B 16 5.037 0.104 6.733 1.00 0.10 H new ATOM 0 HG23 ILE B 16 3.738 -0.793 5.912 1.00 0.10 H new ATOM 0 HD11 ILE B 16 2.273 1.445 2.853 1.00 0.12 H new ATOM 0 HD12 ILE B 16 3.771 2.133 3.525 1.00 0.12 H new ATOM 0 HD13 ILE B 16 3.519 0.371 3.531 1.00 0.12 H new ATOM 1174 N VAL B 17 1.567 3.339 7.302 1.00 0.09 N ATOM 1175 CA VAL B 17 0.481 4.297 7.409 1.00 0.09 C ATOM 1176 C VAL B 17 0.135 4.867 6.041 1.00 0.09 C ATOM 1177 O VAL B 17 0.883 5.663 5.473 1.00 0.13 O ATOM 1178 CB VAL B 17 0.805 5.439 8.414 1.00 0.10 C ATOM 1179 CG1 VAL B 17 2.183 6.035 8.163 1.00 0.12 C ATOM 1180 CG2 VAL B 17 -0.265 6.528 8.371 1.00 0.11 C ATOM 0 H VAL B 17 2.464 3.741 7.032 1.00 0.09 H new ATOM 0 HA VAL B 17 -0.386 3.763 7.797 1.00 0.09 H new ATOM 0 HB VAL B 17 0.809 4.999 9.411 1.00 0.10 H new ATOM 0 HG11 VAL B 17 2.373 6.829 8.885 1.00 0.12 H new ATOM 0 HG12 VAL B 17 2.940 5.258 8.270 1.00 0.12 H new ATOM 0 HG13 VAL B 17 2.224 6.445 7.154 1.00 0.12 H new ATOM 0 HG21 VAL B 17 -0.013 7.314 9.083 1.00 0.11 H new ATOM 0 HG22 VAL B 17 -0.314 6.950 7.367 1.00 0.11 H new ATOM 0 HG23 VAL B 17 -1.232 6.098 8.632 1.00 0.11 H new ATOM 1190 N MET B 18 -0.985 4.425 5.498 1.00 0.09 N ATOM 1191 CA MET B 18 -1.457 4.955 4.229 1.00 0.09 C ATOM 1192 C MET B 18 -2.155 6.279 4.504 1.00 0.08 C ATOM 1193 O MET B 18 -2.822 6.430 5.529 1.00 0.15 O ATOM 1194 CB MET B 18 -2.396 3.971 3.517 1.00 0.17 C ATOM 1195 CG MET B 18 -1.873 2.539 3.473 1.00 0.20 C ATOM 1196 SD MET B 18 -0.174 2.422 2.868 1.00 0.90 S ATOM 1197 CE MET B 18 -0.343 2.918 1.155 1.00 0.50 C ATOM 0 H MET B 18 -1.581 3.707 5.910 1.00 0.09 H new ATOM 0 HA MET B 18 -0.611 5.109 3.560 1.00 0.09 H new ATOM 0 HB2 MET B 18 -3.363 3.979 4.020 1.00 0.17 H new ATOM 0 HB3 MET B 18 -2.564 4.318 2.497 1.00 0.17 H new ATOM 0 HG2 MET B 18 -1.927 2.108 4.473 1.00 0.20 H new ATOM 0 HG3 MET B 18 -2.522 1.941 2.833 1.00 0.20 H new ATOM 0 HE1 MET B 18 0.369 2.363 0.544 1.00 0.50 H new ATOM 0 HE2 MET B 18 -1.356 2.707 0.813 1.00 0.50 H new ATOM 0 HE3 MET B 18 -0.145 3.986 1.064 1.00 0.50 H new ATOM 1207 N PRO B 19 -2.005 7.268 3.621 1.00 0.09 N ATOM 1208 CA PRO B 19 -2.424 8.616 3.921 1.00 0.11 C ATOM 1209 C PRO B 19 -3.897 8.876 3.638 1.00 0.12 C ATOM 1210 O PRO B 19 -4.586 8.094 2.961 1.00 0.12 O ATOM 1211 CB PRO B 19 -1.526 9.475 3.026 1.00 0.14 C ATOM 1212 CG PRO B 19 -1.084 8.589 1.903 1.00 0.19 C ATOM 1213 CD PRO B 19 -1.446 7.161 2.267 1.00 0.14 C ATOM 0 HA PRO B 19 -2.325 8.836 4.984 1.00 0.11 H new ATOM 0 HB2 PRO B 19 -2.068 10.341 2.648 1.00 0.14 H new ATOM 0 HB3 PRO B 19 -0.669 9.854 3.583 1.00 0.14 H new ATOM 0 HG2 PRO B 19 -1.571 8.881 0.972 1.00 0.19 H new ATOM 0 HG3 PRO B 19 -0.010 8.682 1.744 1.00 0.19 H new ATOM 0 HD2 PRO B 19 -2.171 6.743 1.568 1.00 0.14 H new ATOM 0 HD3 PRO B 19 -0.572 6.510 2.247 1.00 0.14 H new ATOM 1221 N ILE B 20 -4.380 9.977 4.194 1.00 0.15 N ATOM 1222 CA ILE B 20 -5.713 10.477 3.908 1.00 0.17 C ATOM 1223 C ILE B 20 -5.950 10.547 2.402 1.00 0.16 C ATOM 1224 O ILE B 20 -7.068 10.360 1.937 1.00 0.17 O ATOM 1225 CB ILE B 20 -5.910 11.871 4.533 1.00 0.21 C ATOM 1226 CG1 ILE B 20 -7.255 12.475 4.116 1.00 0.25 C ATOM 1227 CG2 ILE B 20 -4.745 12.784 4.164 1.00 0.21 C ATOM 1228 CD1 ILE B 20 -8.441 11.796 4.762 1.00 0.27 C ATOM 0 H ILE B 20 -3.856 10.549 4.857 1.00 0.15 H new ATOM 0 HA ILE B 20 -6.435 9.787 4.345 1.00 0.17 H new ATOM 0 HB ILE B 20 -5.926 11.768 5.618 1.00 0.21 H new ATOM 0 HG12 ILE B 20 -7.266 13.534 4.375 1.00 0.25 H new ATOM 0 HG13 ILE B 20 -7.354 12.411 3.032 1.00 0.25 H new ATOM 0 HG21 ILE B 20 -4.896 13.766 4.612 1.00 0.21 H new ATOM 0 HG22 ILE B 20 -3.815 12.355 4.536 1.00 0.21 H new ATOM 0 HG23 ILE B 20 -4.690 12.884 3.080 1.00 0.21 H new ATOM 0 HD11 ILE B 20 -9.361 12.272 4.424 1.00 0.27 H new ATOM 0 HD12 ILE B 20 -8.454 10.742 4.483 1.00 0.27 H new ATOM 0 HD13 ILE B 20 -8.364 11.883 5.846 1.00 0.27 H new ATOM 1240 N GLU B 21 -4.881 10.799 1.654 1.00 0.16 N ATOM 1241 CA GLU B 21 -4.921 10.821 0.195 1.00 0.18 C ATOM 1242 C GLU B 21 -5.497 9.522 -0.344 1.00 0.14 C ATOM 1243 O GLU B 21 -6.271 9.520 -1.292 1.00 0.15 O ATOM 1244 CB GLU B 21 -3.509 10.977 -0.346 1.00 0.24 C ATOM 1245 CG GLU B 21 -2.587 11.748 0.585 1.00 0.22 C ATOM 1246 CD GLU B 21 -2.341 13.165 0.119 1.00 0.42 C ATOM 1247 OE1 GLU B 21 -1.589 13.349 -0.856 1.00 0.98 O ATOM 1248 OE2 GLU B 21 -2.907 14.099 0.724 1.00 1.23 O ATOM 0 H GLU B 21 -3.959 10.995 2.043 1.00 0.16 H new ATOM 0 HA GLU B 21 -5.549 11.655 -0.119 1.00 0.18 H new ATOM 0 HB2 GLU B 21 -3.086 9.989 -0.527 1.00 0.24 H new ATOM 0 HB3 GLU B 21 -3.551 11.487 -1.308 1.00 0.24 H new ATOM 0 HG2 GLU B 21 -3.021 11.769 1.585 1.00 0.22 H new ATOM 0 HG3 GLU B 21 -1.634 11.224 0.662 1.00 0.22 H new ATOM 1255 N LEU B 22 -5.117 8.420 0.289 1.00 0.13 N ATOM 1256 CA LEU B 22 -5.575 7.104 -0.114 1.00 0.13 C ATOM 1257 C LEU B 22 -7.029 6.936 0.269 1.00 0.14 C ATOM 1258 O LEU B 22 -7.824 6.385 -0.490 1.00 0.16 O ATOM 1259 CB LEU B 22 -4.706 6.014 0.535 1.00 0.13 C ATOM 1260 CG LEU B 22 -5.425 4.707 0.892 1.00 0.15 C ATOM 1261 CD1 LEU B 22 -4.525 3.514 0.618 1.00 0.15 C ATOM 1262 CD2 LEU B 22 -5.845 4.719 2.360 1.00 0.21 C ATOM 0 H LEU B 22 -4.487 8.416 1.091 1.00 0.13 H new ATOM 0 HA LEU B 22 -5.484 7.005 -1.196 1.00 0.13 H new ATOM 0 HB2 LEU B 22 -3.884 5.781 -0.142 1.00 0.13 H new ATOM 0 HB3 LEU B 22 -4.264 6.422 1.444 1.00 0.13 H new ATOM 0 HG LEU B 22 -6.316 4.622 0.270 1.00 0.15 H new ATOM 0 HD11 LEU B 22 -5.051 2.595 0.877 1.00 0.15 H new ATOM 0 HD12 LEU B 22 -4.258 3.494 -0.439 1.00 0.15 H new ATOM 0 HD13 LEU B 22 -3.619 3.596 1.219 1.00 0.15 H new ATOM 0 HD21 LEU B 22 -6.354 3.786 2.600 1.00 0.21 H new ATOM 0 HD22 LEU B 22 -4.962 4.823 2.990 1.00 0.21 H new ATOM 0 HD23 LEU B 22 -6.519 5.557 2.539 1.00 0.21 H new ATOM 1274 N ARG B 23 -7.366 7.419 1.455 1.00 0.16 N ATOM 1275 CA ARG B 23 -8.745 7.404 1.917 1.00 0.19 C ATOM 1276 C ARG B 23 -9.649 8.126 0.926 1.00 0.20 C ATOM 1277 O ARG B 23 -10.672 7.589 0.498 1.00 0.23 O ATOM 1278 CB ARG B 23 -8.830 8.068 3.292 1.00 0.24 C ATOM 1279 CG ARG B 23 -7.956 7.395 4.341 1.00 0.28 C ATOM 1280 CD ARG B 23 -7.951 8.165 5.653 1.00 0.52 C ATOM 1281 NE ARG B 23 -9.304 8.464 6.129 1.00 0.83 N ATOM 1282 CZ ARG B 23 -9.611 8.680 7.408 1.00 0.85 C ATOM 1283 NH1 ARG B 23 -8.675 8.603 8.346 1.00 0.78 N ATOM 1284 NH2 ARG B 23 -10.858 8.975 7.748 1.00 1.75 N ATOM 0 H ARG B 23 -6.703 7.826 2.115 1.00 0.16 H new ATOM 0 HA ARG B 23 -9.082 6.370 1.995 1.00 0.19 H new ATOM 0 HB2 ARG B 23 -8.537 9.114 3.201 1.00 0.24 H new ATOM 0 HB3 ARG B 23 -9.866 8.056 3.630 1.00 0.24 H new ATOM 0 HG2 ARG B 23 -8.315 6.381 4.516 1.00 0.28 H new ATOM 0 HG3 ARG B 23 -6.936 7.312 3.965 1.00 0.28 H new ATOM 0 HD2 ARG B 23 -7.422 7.585 6.410 1.00 0.52 H new ATOM 0 HD3 ARG B 23 -7.400 9.097 5.523 1.00 0.52 H new ATOM 0 HE ARG B 23 -10.056 8.510 5.441 1.00 0.83 H new ATOM 0 HH11 ARG B 23 -7.714 8.377 8.090 1.00 0.78 H new ATOM 0 HH12 ARG B 23 -8.917 8.770 9.323 1.00 0.78 H new ATOM 0 HH21 ARG B 23 -11.581 9.036 7.031 1.00 1.75 H new ATOM 0 HH22 ARG B 23 -11.094 9.141 8.726 1.00 1.75 H new ATOM 1298 N ARG B 24 -9.251 9.348 0.598 1.00 0.21 N ATOM 1299 CA ARG B 24 -9.942 10.188 -0.378 1.00 0.23 C ATOM 1300 C ARG B 24 -9.989 9.522 -1.745 1.00 0.22 C ATOM 1301 O ARG B 24 -11.037 9.492 -2.390 1.00 0.23 O ATOM 1302 CB ARG B 24 -9.227 11.536 -0.490 1.00 0.24 C ATOM 1303 CG ARG B 24 -9.143 12.297 0.815 1.00 0.28 C ATOM 1304 CD ARG B 24 -8.124 13.418 0.731 1.00 0.32 C ATOM 1305 NE ARG B 24 -8.540 14.498 -0.161 1.00 0.48 N ATOM 1306 CZ ARG B 24 -7.807 15.587 -0.399 1.00 0.71 C ATOM 1307 NH1 ARG B 24 -6.622 15.733 0.184 1.00 0.82 N ATOM 1308 NH2 ARG B 24 -8.258 16.525 -1.220 1.00 1.00 N ATOM 0 H ARG B 24 -8.428 9.792 1.006 1.00 0.21 H new ATOM 0 HA ARG B 24 -10.966 10.336 -0.036 1.00 0.23 H new ATOM 0 HB2 ARG B 24 -8.218 11.371 -0.868 1.00 0.24 H new ATOM 0 HB3 ARG B 24 -9.746 12.151 -1.225 1.00 0.24 H new ATOM 0 HG2 ARG B 24 -10.121 12.709 1.063 1.00 0.28 H new ATOM 0 HG3 ARG B 24 -8.871 11.615 1.620 1.00 0.28 H new ATOM 0 HD2 ARG B 24 -7.953 13.823 1.729 1.00 0.32 H new ATOM 0 HD3 ARG B 24 -7.173 13.013 0.384 1.00 0.32 H new ATOM 0 HE ARG B 24 -9.443 14.415 -0.629 1.00 0.48 H new ATOM 0 HH11 ARG B 24 -6.272 15.012 0.815 1.00 0.82 H new ATOM 0 HH12 ARG B 24 -6.063 16.566 0.001 1.00 0.82 H new ATOM 0 HH21 ARG B 24 -9.166 16.415 -1.671 1.00 1.00 H new ATOM 0 HH22 ARG B 24 -7.697 17.357 -1.401 1.00 1.00 H new ATOM 1322 N ALA B 25 -8.834 9.042 -2.202 1.00 0.21 N ATOM 1323 CA ALA B 25 -8.736 8.306 -3.457 1.00 0.22 C ATOM 1324 C ALA B 25 -9.784 7.208 -3.549 1.00 0.23 C ATOM 1325 O ALA B 25 -10.528 7.118 -4.524 1.00 0.25 O ATOM 1326 CB ALA B 25 -7.355 7.687 -3.575 1.00 0.22 C ATOM 0 H ALA B 25 -7.945 9.152 -1.714 1.00 0.21 H new ATOM 0 HA ALA B 25 -8.909 9.010 -4.271 1.00 0.22 H new ATOM 0 HB1 ALA B 25 -7.282 7.137 -4.513 1.00 0.22 H new ATOM 0 HB2 ALA B 25 -6.601 8.474 -3.556 1.00 0.22 H new ATOM 0 HB3 ALA B 25 -7.189 7.005 -2.741 1.00 0.22 H new ATOM 1332 N LEU B 26 -9.843 6.388 -2.515 1.00 0.24 N ATOM 1333 CA LEU B 26 -10.725 5.239 -2.508 1.00 0.28 C ATOM 1334 C LEU B 26 -12.081 5.598 -1.899 1.00 0.30 C ATOM 1335 O LEU B 26 -12.899 6.257 -2.538 1.00 0.37 O ATOM 1336 CB LEU B 26 -10.075 4.092 -1.736 1.00 0.27 C ATOM 1337 CG LEU B 26 -8.662 3.722 -2.192 1.00 0.27 C ATOM 1338 CD1 LEU B 26 -8.094 2.604 -1.331 1.00 0.27 C ATOM 1339 CD2 LEU B 26 -8.666 3.314 -3.653 1.00 0.35 C ATOM 0 H LEU B 26 -9.287 6.499 -1.667 1.00 0.24 H new ATOM 0 HA LEU B 26 -10.894 4.922 -3.537 1.00 0.28 H new ATOM 0 HB2 LEU B 26 -10.041 4.359 -0.680 1.00 0.27 H new ATOM 0 HB3 LEU B 26 -10.710 3.211 -1.822 1.00 0.27 H new ATOM 0 HG LEU B 26 -8.026 4.600 -2.078 1.00 0.27 H new ATOM 0 HD11 LEU B 26 -7.089 2.357 -1.672 1.00 0.27 H new ATOM 0 HD12 LEU B 26 -8.054 2.930 -0.292 1.00 0.27 H new ATOM 0 HD13 LEU B 26 -8.731 1.723 -1.411 1.00 0.27 H new ATOM 0 HD21 LEU B 26 -7.653 3.054 -3.961 1.00 0.35 H new ATOM 0 HD22 LEU B 26 -9.319 2.452 -3.788 1.00 0.35 H new ATOM 0 HD23 LEU B 26 -9.029 4.143 -4.261 1.00 0.35 H new ATOM 1351 N ASP B 27 -12.297 5.190 -0.655 1.00 0.32 N ATOM 1352 CA ASP B 27 -13.563 5.429 0.037 1.00 0.36 C ATOM 1353 C ASP B 27 -13.362 5.398 1.544 1.00 0.42 C ATOM 1354 O ASP B 27 -14.337 5.397 2.297 1.00 0.75 O ATOM 1355 CB ASP B 27 -14.599 4.349 -0.307 1.00 0.45 C ATOM 1356 CG ASP B 27 -15.303 4.550 -1.631 1.00 0.91 C ATOM 1357 OD1 ASP B 27 -16.240 5.372 -1.692 1.00 1.57 O ATOM 1358 OD2 ASP B 27 -14.965 3.842 -2.602 1.00 1.77 O ATOM 0 H ASP B 27 -11.606 4.687 -0.098 1.00 0.32 H new ATOM 0 HA ASP B 27 -13.919 6.407 -0.287 1.00 0.36 H new ATOM 0 HB2 ASP B 27 -14.103 3.379 -0.318 1.00 0.45 H new ATOM 0 HB3 ASP B 27 -15.347 4.316 0.486 1.00 0.45 H new ATOM 1363 N ILE B 28 -12.105 5.410 1.981 1.00 0.28 N ATOM 1364 CA ILE B 28 -11.776 5.020 3.356 1.00 0.29 C ATOM 1365 C ILE B 28 -12.449 5.934 4.367 1.00 0.32 C ATOM 1366 O ILE B 28 -12.222 7.146 4.379 1.00 0.33 O ATOM 1367 CB ILE B 28 -10.245 4.974 3.639 1.00 0.30 C ATOM 1368 CG1 ILE B 28 -9.556 3.783 2.947 1.00 0.29 C ATOM 1369 CG2 ILE B 28 -9.994 4.887 5.142 1.00 0.38 C ATOM 1370 CD1 ILE B 28 -9.885 3.622 1.488 1.00 0.28 C ATOM 0 H ILE B 28 -11.303 5.682 1.413 1.00 0.28 H new ATOM 0 HA ILE B 28 -12.159 4.005 3.466 1.00 0.29 H new ATOM 0 HB ILE B 28 -9.820 5.892 3.233 1.00 0.30 H new ATOM 0 HG12 ILE B 28 -8.477 3.896 3.051 1.00 0.29 H new ATOM 0 HG13 ILE B 28 -9.833 2.868 3.470 1.00 0.29 H new ATOM 0 HG21 ILE B 28 -8.921 4.855 5.330 1.00 0.38 H new ATOM 0 HG22 ILE B 28 -10.423 5.760 5.634 1.00 0.38 H new ATOM 0 HG23 ILE B 28 -10.459 3.983 5.537 1.00 0.38 H new ATOM 0 HD11 ILE B 28 -9.354 2.758 1.088 1.00 0.28 H new ATOM 0 HD12 ILE B 28 -10.959 3.474 1.371 1.00 0.28 H new ATOM 0 HD13 ILE B 28 -9.582 4.517 0.946 1.00 0.28 H new ATOM 1382 N ALA B 29 -13.283 5.337 5.203 1.00 0.38 N ATOM 1383 CA ALA B 29 -13.996 6.071 6.226 1.00 0.40 C ATOM 1384 C ALA B 29 -13.233 6.018 7.538 1.00 0.39 C ATOM 1385 O ALA B 29 -13.031 7.036 8.194 1.00 0.47 O ATOM 1386 CB ALA B 29 -15.395 5.502 6.390 1.00 0.39 C ATOM 0 H ALA B 29 -13.481 4.337 5.189 1.00 0.38 H new ATOM 0 HA ALA B 29 -14.081 7.115 5.924 1.00 0.40 H new ATOM 0 HB1 ALA B 29 -15.926 6.059 7.162 1.00 0.39 H new ATOM 0 HB2 ALA B 29 -15.934 5.585 5.446 1.00 0.39 H new ATOM 0 HB3 ALA B 29 -15.330 4.453 6.680 1.00 0.39 H new ATOM 1392 N ILE B 30 -12.799 4.820 7.903 1.00 0.35 N ATOM 1393 CA ILE B 30 -12.022 4.624 9.120 1.00 0.36 C ATOM 1394 C ILE B 30 -11.249 3.308 9.037 1.00 0.37 C ATOM 1395 O ILE B 30 -10.122 3.213 9.513 1.00 0.47 O ATOM 1396 CB ILE B 30 -12.937 4.679 10.383 1.00 0.35 C ATOM 1397 CG1 ILE B 30 -12.115 4.745 11.685 1.00 0.39 C ATOM 1398 CG2 ILE B 30 -13.912 3.506 10.417 1.00 0.32 C ATOM 1399 CD1 ILE B 30 -11.694 3.400 12.243 1.00 0.39 C ATOM 0 H ILE B 30 -12.972 3.966 7.372 1.00 0.35 H new ATOM 0 HA ILE B 30 -11.301 5.436 9.214 1.00 0.36 H new ATOM 0 HB ILE B 30 -13.518 5.599 10.313 1.00 0.35 H new ATOM 0 HG12 ILE B 30 -11.222 5.342 11.504 1.00 0.39 H new ATOM 0 HG13 ILE B 30 -12.700 5.268 12.441 1.00 0.39 H new ATOM 0 HG21 ILE B 30 -14.534 3.575 11.310 1.00 0.32 H new ATOM 0 HG22 ILE B 30 -14.545 3.534 9.530 1.00 0.32 H new ATOM 0 HG23 ILE B 30 -13.354 2.570 10.435 1.00 0.32 H new ATOM 0 HD11 ILE B 30 -11.121 3.549 13.158 1.00 0.39 H new ATOM 0 HD12 ILE B 30 -12.580 2.804 12.462 1.00 0.39 H new ATOM 0 HD13 ILE B 30 -11.078 2.879 11.510 1.00 0.39 H new ATOM 1411 N LYS B 31 -11.854 2.305 8.409 1.00 0.30 N ATOM 1412 CA LYS B 31 -11.186 1.030 8.164 1.00 0.37 C ATOM 1413 C LYS B 31 -11.337 0.658 6.693 1.00 0.36 C ATOM 1414 O LYS B 31 -10.385 0.231 6.036 1.00 0.52 O ATOM 1415 CB LYS B 31 -11.781 -0.076 9.044 1.00 0.40 C ATOM 1416 CG LYS B 31 -11.858 0.289 10.517 1.00 0.41 C ATOM 1417 CD LYS B 31 -12.218 -0.909 11.380 1.00 0.32 C ATOM 1418 CE LYS B 31 -11.065 -1.895 11.466 1.00 0.33 C ATOM 1419 NZ LYS B 31 -11.403 -3.069 12.311 1.00 0.39 N ATOM 0 H LYS B 31 -12.811 2.351 8.059 1.00 0.30 H new ATOM 0 HA LYS B 31 -10.130 1.133 8.413 1.00 0.37 H new ATOM 0 HB2 LYS B 31 -12.782 -0.314 8.685 1.00 0.40 H new ATOM 0 HB3 LYS B 31 -11.180 -0.979 8.934 1.00 0.40 H new ATOM 0 HG2 LYS B 31 -10.900 0.695 10.841 1.00 0.41 H new ATOM 0 HG3 LYS B 31 -12.601 1.074 10.658 1.00 0.41 H new ATOM 0 HD2 LYS B 31 -12.486 -0.571 12.381 1.00 0.32 H new ATOM 0 HD3 LYS B 31 -13.095 -1.407 10.967 1.00 0.32 H new ATOM 0 HE2 LYS B 31 -10.801 -2.233 10.464 1.00 0.33 H new ATOM 0 HE3 LYS B 31 -10.188 -1.393 11.875 1.00 0.33 H new ATOM 0 HZ1 LYS B 31 -10.591 -3.718 12.345 1.00 0.39 H new ATOM 0 HZ2 LYS B 31 -11.631 -2.749 13.274 1.00 0.39 H new ATOM 0 HZ3 LYS B 31 -12.224 -3.563 11.907 1.00 0.39 H new ATOM 1433 N ASP B 32 -12.557 0.845 6.204 1.00 0.24 N ATOM 1434 CA ASP B 32 -12.930 0.634 4.804 1.00 0.23 C ATOM 1435 C ASP B 32 -12.524 -0.740 4.268 1.00 0.34 C ATOM 1436 O ASP B 32 -13.122 -1.740 4.658 1.00 0.82 O ATOM 1437 CB ASP B 32 -12.379 1.748 3.922 1.00 0.26 C ATOM 1438 CG ASP B 32 -13.367 2.138 2.851 1.00 1.12 C ATOM 1439 OD1 ASP B 32 -14.547 2.359 3.185 1.00 1.79 O ATOM 1440 OD2 ASP B 32 -12.976 2.234 1.679 1.00 1.83 O ATOM 0 H ASP B 32 -13.337 1.156 6.783 1.00 0.24 H new ATOM 0 HA ASP B 32 -14.019 0.663 4.771 1.00 0.23 H new ATOM 0 HB2 ASP B 32 -12.142 2.617 4.536 1.00 0.26 H new ATOM 0 HB3 ASP B 32 -11.448 1.421 3.459 1.00 0.26 H new ATOM 1445 N SER B 33 -11.487 -0.791 3.420 1.00 0.23 N ATOM 1446 CA SER B 33 -11.086 -2.005 2.686 1.00 0.17 C ATOM 1447 C SER B 33 -9.940 -1.659 1.738 1.00 0.17 C ATOM 1448 O SER B 33 -10.120 -0.843 0.839 1.00 0.24 O ATOM 1449 CB SER B 33 -12.222 -2.577 1.821 1.00 0.18 C ATOM 1450 OG SER B 33 -13.282 -3.120 2.588 1.00 0.22 O ATOM 0 H SER B 33 -10.896 0.016 3.221 1.00 0.23 H new ATOM 0 HA SER B 33 -10.802 -2.745 3.434 1.00 0.17 H new ATOM 0 HB2 SER B 33 -12.613 -1.789 1.177 1.00 0.18 H new ATOM 0 HB3 SER B 33 -11.819 -3.351 1.168 1.00 0.18 H new ATOM 0 HG SER B 33 -13.244 -2.761 3.499 1.00 0.22 H new ATOM 1456 N ILE B 34 -8.769 -2.247 1.928 1.00 0.15 N ATOM 1457 CA ILE B 34 -7.679 -2.027 0.985 1.00 0.16 C ATOM 1458 C ILE B 34 -7.067 -3.349 0.550 1.00 0.14 C ATOM 1459 O ILE B 34 -6.456 -4.050 1.344 1.00 0.14 O ATOM 1460 CB ILE B 34 -6.553 -1.129 1.546 1.00 0.22 C ATOM 1461 CG1 ILE B 34 -7.111 0.083 2.294 1.00 0.25 C ATOM 1462 CG2 ILE B 34 -5.662 -0.664 0.413 1.00 0.32 C ATOM 1463 CD1 ILE B 34 -7.350 -0.179 3.758 1.00 0.40 C ATOM 0 H ILE B 34 -8.549 -2.867 2.708 1.00 0.15 H new ATOM 0 HA ILE B 34 -8.129 -1.512 0.136 1.00 0.16 H new ATOM 0 HB ILE B 34 -5.976 -1.721 2.257 1.00 0.22 H new ATOM 0 HG12 ILE B 34 -6.417 0.917 2.190 1.00 0.25 H new ATOM 0 HG13 ILE B 34 -8.048 0.388 1.829 1.00 0.25 H new ATOM 0 HG21 ILE B 34 -4.869 -0.031 0.810 1.00 0.32 H new ATOM 0 HG22 ILE B 34 -5.222 -1.529 -0.082 1.00 0.32 H new ATOM 0 HG23 ILE B 34 -6.253 -0.097 -0.306 1.00 0.32 H new ATOM 0 HD11 ILE B 34 -7.746 0.721 4.229 1.00 0.40 H new ATOM 0 HD12 ILE B 34 -8.067 -0.992 3.870 1.00 0.40 H new ATOM 0 HD13 ILE B 34 -6.410 -0.456 4.236 1.00 0.40 H new ATOM 1475 N GLU B 35 -7.218 -3.666 -0.717 1.00 0.14 N ATOM 1476 CA GLU B 35 -6.717 -4.915 -1.268 1.00 0.13 C ATOM 1477 C GLU B 35 -5.515 -4.623 -2.153 1.00 0.12 C ATOM 1478 O GLU B 35 -5.547 -3.675 -2.943 1.00 0.15 O ATOM 1479 CB GLU B 35 -7.823 -5.602 -2.069 1.00 0.18 C ATOM 1480 CG GLU B 35 -7.393 -6.894 -2.735 1.00 0.27 C ATOM 1481 CD GLU B 35 -8.426 -7.393 -3.715 1.00 0.49 C ATOM 1482 OE1 GLU B 35 -8.548 -6.786 -4.798 1.00 1.24 O ATOM 1483 OE2 GLU B 35 -9.108 -8.394 -3.411 1.00 1.21 O ATOM 0 H GLU B 35 -7.690 -3.070 -1.397 1.00 0.14 H new ATOM 0 HA GLU B 35 -6.409 -5.582 -0.462 1.00 0.13 H new ATOM 0 HB2 GLU B 35 -8.662 -5.810 -1.405 1.00 0.18 H new ATOM 0 HB3 GLU B 35 -8.184 -4.914 -2.834 1.00 0.18 H new ATOM 0 HG2 GLU B 35 -6.447 -6.738 -3.253 1.00 0.27 H new ATOM 0 HG3 GLU B 35 -7.218 -7.654 -1.974 1.00 0.27 H new ATOM 1490 N PHE B 36 -4.449 -5.414 -2.035 1.00 0.11 N ATOM 1491 CA PHE B 36 -3.229 -5.102 -2.787 1.00 0.11 C ATOM 1492 C PHE B 36 -2.820 -6.184 -3.792 1.00 0.13 C ATOM 1493 O PHE B 36 -3.141 -7.368 -3.663 1.00 0.15 O ATOM 1494 CB PHE B 36 -2.032 -4.767 -1.879 1.00 0.13 C ATOM 1495 CG PHE B 36 -2.335 -4.698 -0.412 1.00 0.17 C ATOM 1496 CD1 PHE B 36 -3.081 -3.655 0.104 1.00 1.14 C ATOM 1497 CD2 PHE B 36 -1.846 -5.659 0.453 1.00 1.22 C ATOM 1498 CE1 PHE B 36 -3.340 -3.576 1.453 1.00 1.13 C ATOM 1499 CE2 PHE B 36 -2.105 -5.587 1.805 1.00 1.29 C ATOM 1500 CZ PHE B 36 -2.851 -4.541 2.306 1.00 0.37 C ATOM 0 H PHE B 36 -4.400 -6.247 -1.449 1.00 0.11 H new ATOM 0 HA PHE B 36 -3.499 -4.211 -3.354 1.00 0.11 H new ATOM 0 HB2 PHE B 36 -1.257 -5.517 -2.037 1.00 0.13 H new ATOM 0 HB3 PHE B 36 -1.617 -3.809 -2.192 1.00 0.13 H new ATOM 0 HD1 PHE B 36 -3.465 -2.894 -0.559 1.00 1.14 H new ATOM 0 HD2 PHE B 36 -1.255 -6.475 0.065 1.00 1.22 H new ATOM 0 HE1 PHE B 36 -3.927 -2.757 1.843 1.00 1.13 H new ATOM 0 HE2 PHE B 36 -1.725 -6.348 2.470 1.00 1.29 H new ATOM 0 HZ PHE B 36 -3.052 -4.478 3.365 1.00 0.37 H new ATOM 1510 N PHE B 37 -2.126 -5.702 -4.813 1.00 0.15 N ATOM 1511 CA PHE B 37 -1.557 -6.489 -5.900 1.00 0.17 C ATOM 1512 C PHE B 37 -0.060 -6.229 -5.908 1.00 0.15 C ATOM 1513 O PHE B 37 0.372 -5.171 -5.479 1.00 0.16 O ATOM 1514 CB PHE B 37 -2.204 -6.015 -7.215 1.00 0.21 C ATOM 1515 CG PHE B 37 -1.785 -6.743 -8.467 1.00 0.24 C ATOM 1516 CD1 PHE B 37 -0.607 -6.418 -9.121 1.00 1.17 C ATOM 1517 CD2 PHE B 37 -2.592 -7.732 -9.007 1.00 1.22 C ATOM 1518 CE1 PHE B 37 -0.241 -7.066 -10.285 1.00 1.21 C ATOM 1519 CE2 PHE B 37 -2.229 -8.386 -10.169 1.00 1.22 C ATOM 1520 CZ PHE B 37 -1.051 -8.053 -10.808 1.00 0.36 C ATOM 0 H PHE B 37 -1.935 -4.705 -4.912 1.00 0.15 H new ATOM 0 HA PHE B 37 -1.740 -7.557 -5.781 1.00 0.17 H new ATOM 0 HB2 PHE B 37 -3.286 -6.102 -7.115 1.00 0.21 H new ATOM 0 HB3 PHE B 37 -1.980 -4.956 -7.344 1.00 0.21 H new ATOM 0 HD1 PHE B 37 0.033 -5.648 -8.715 1.00 1.17 H new ATOM 0 HD2 PHE B 37 -3.516 -7.995 -8.514 1.00 1.22 H new ATOM 0 HE1 PHE B 37 0.679 -6.800 -10.785 1.00 1.21 H new ATOM 0 HE2 PHE B 37 -2.866 -9.157 -10.577 1.00 1.22 H new ATOM 0 HZ PHE B 37 -0.764 -8.564 -11.715 1.00 0.36 H new ATOM 1530 N VAL B 38 0.730 -7.184 -6.343 1.00 0.18 N ATOM 1531 CA VAL B 38 2.162 -6.963 -6.442 1.00 0.18 C ATOM 1532 C VAL B 38 2.645 -7.173 -7.870 1.00 0.24 C ATOM 1533 O VAL B 38 2.299 -8.158 -8.521 1.00 0.30 O ATOM 1534 CB VAL B 38 2.956 -7.842 -5.450 1.00 0.24 C ATOM 1535 CG1 VAL B 38 2.638 -9.319 -5.616 1.00 0.34 C ATOM 1536 CG2 VAL B 38 4.448 -7.601 -5.584 1.00 0.25 C ATOM 0 H VAL B 38 0.415 -8.110 -6.631 1.00 0.18 H new ATOM 0 HA VAL B 38 2.349 -5.925 -6.167 1.00 0.18 H new ATOM 0 HB VAL B 38 2.645 -7.550 -4.447 1.00 0.24 H new ATOM 0 HG11 VAL B 38 3.219 -9.899 -4.899 1.00 0.34 H new ATOM 0 HG12 VAL B 38 1.575 -9.484 -5.441 1.00 0.34 H new ATOM 0 HG13 VAL B 38 2.892 -9.634 -6.628 1.00 0.34 H new ATOM 0 HG21 VAL B 38 4.984 -8.232 -4.875 1.00 0.25 H new ATOM 0 HG22 VAL B 38 4.766 -7.844 -6.598 1.00 0.25 H new ATOM 0 HG23 VAL B 38 4.668 -6.554 -5.376 1.00 0.25 H new ATOM 1546 N ASP B 39 3.423 -6.222 -8.350 1.00 0.27 N ATOM 1547 CA ASP B 39 3.887 -6.221 -9.731 1.00 0.34 C ATOM 1548 C ASP B 39 5.401 -6.085 -9.773 1.00 0.35 C ATOM 1549 O ASP B 39 5.929 -4.976 -9.725 1.00 0.30 O ATOM 1550 CB ASP B 39 3.220 -5.070 -10.498 1.00 0.35 C ATOM 1551 CG ASP B 39 3.795 -4.855 -11.885 1.00 0.52 C ATOM 1552 OD1 ASP B 39 3.590 -5.722 -12.760 1.00 1.08 O ATOM 1553 OD2 ASP B 39 4.436 -3.804 -12.111 1.00 1.35 O ATOM 0 H ASP B 39 3.752 -5.429 -7.799 1.00 0.27 H new ATOM 0 HA ASP B 39 3.614 -7.164 -10.204 1.00 0.34 H new ATOM 0 HB2 ASP B 39 2.152 -5.271 -10.583 1.00 0.35 H new ATOM 0 HB3 ASP B 39 3.326 -4.150 -9.922 1.00 0.35 H new ATOM 1558 N GLY B 40 6.087 -7.222 -9.828 1.00 0.43 N ATOM 1559 CA GLY B 40 7.543 -7.229 -9.850 1.00 0.48 C ATOM 1560 C GLY B 40 8.149 -6.641 -8.589 1.00 0.42 C ATOM 1561 O GLY B 40 8.455 -7.361 -7.639 1.00 0.47 O ATOM 0 H GLY B 40 5.659 -8.147 -9.858 1.00 0.43 H new ATOM 0 HA2 GLY B 40 7.896 -8.253 -9.975 1.00 0.48 H new ATOM 0 HA3 GLY B 40 7.892 -6.664 -10.714 1.00 0.48 H new ATOM 1565 N ASP B 41 8.292 -5.324 -8.580 1.00 0.34 N ATOM 1566 CA ASP B 41 8.867 -4.604 -7.453 1.00 0.31 C ATOM 1567 C ASP B 41 7.898 -3.508 -7.039 1.00 0.22 C ATOM 1568 O ASP B 41 8.296 -2.471 -6.508 1.00 0.26 O ATOM 1569 CB ASP B 41 10.213 -3.967 -7.835 1.00 0.38 C ATOM 1570 CG ASP B 41 11.163 -4.922 -8.532 1.00 1.04 C ATOM 1571 OD1 ASP B 41 11.803 -5.743 -7.848 1.00 1.74 O ATOM 1572 OD2 ASP B 41 11.293 -4.832 -9.774 1.00 1.81 O ATOM 0 H ASP B 41 8.012 -4.723 -9.355 1.00 0.34 H new ATOM 0 HA ASP B 41 9.038 -5.303 -6.634 1.00 0.31 H new ATOM 0 HB2 ASP B 41 10.029 -3.112 -8.486 1.00 0.38 H new ATOM 0 HB3 ASP B 41 10.693 -3.584 -6.934 1.00 0.38 H new ATOM 1577 N LYS B 42 6.625 -3.737 -7.321 1.00 0.18 N ATOM 1578 CA LYS B 42 5.585 -2.752 -7.078 1.00 0.13 C ATOM 1579 C LYS B 42 4.419 -3.348 -6.292 1.00 0.11 C ATOM 1580 O LYS B 42 4.203 -4.557 -6.303 1.00 0.15 O ATOM 1581 CB LYS B 42 5.090 -2.234 -8.425 1.00 0.12 C ATOM 1582 CG LYS B 42 3.733 -1.554 -8.380 1.00 0.14 C ATOM 1583 CD LYS B 42 3.194 -1.322 -9.781 1.00 0.33 C ATOM 1584 CE LYS B 42 4.236 -0.686 -10.685 1.00 0.75 C ATOM 1585 NZ LYS B 42 3.930 -0.908 -12.120 1.00 0.55 N ATOM 0 H LYS B 42 6.285 -4.610 -7.724 1.00 0.18 H new ATOM 0 HA LYS B 42 6.000 -1.940 -6.481 1.00 0.13 H new ATOM 0 HB2 LYS B 42 5.822 -1.530 -8.820 1.00 0.12 H new ATOM 0 HB3 LYS B 42 5.041 -3.068 -9.125 1.00 0.12 H new ATOM 0 HG2 LYS B 42 3.033 -2.169 -7.814 1.00 0.14 H new ATOM 0 HG3 LYS B 42 3.817 -0.602 -7.856 1.00 0.14 H new ATOM 0 HD2 LYS B 42 2.872 -2.271 -10.209 1.00 0.33 H new ATOM 0 HD3 LYS B 42 2.315 -0.680 -9.731 1.00 0.33 H new ATOM 0 HE2 LYS B 42 4.286 0.384 -10.485 1.00 0.75 H new ATOM 0 HE3 LYS B 42 5.218 -1.099 -10.455 1.00 0.75 H new ATOM 0 HZ1 LYS B 42 4.572 -0.336 -12.704 1.00 0.55 H new ATOM 0 HZ2 LYS B 42 4.057 -1.914 -12.350 1.00 0.55 H new ATOM 0 HZ3 LYS B 42 2.946 -0.630 -12.312 1.00 0.55 H new ATOM 1599 N ILE B 43 3.665 -2.477 -5.636 1.00 0.09 N ATOM 1600 CA ILE B 43 2.450 -2.857 -4.928 1.00 0.08 C ATOM 1601 C ILE B 43 1.293 -1.996 -5.451 1.00 0.06 C ATOM 1602 O ILE B 43 1.494 -0.839 -5.807 1.00 0.07 O ATOM 1603 CB ILE B 43 2.607 -2.664 -3.395 1.00 0.09 C ATOM 1604 CG1 ILE B 43 3.638 -3.635 -2.790 1.00 0.15 C ATOM 1605 CG2 ILE B 43 1.272 -2.808 -2.686 1.00 0.10 C ATOM 1606 CD1 ILE B 43 3.117 -5.048 -2.568 1.00 0.22 C ATOM 0 H ILE B 43 3.880 -1.482 -5.580 1.00 0.09 H new ATOM 0 HA ILE B 43 2.248 -3.913 -5.107 1.00 0.08 H new ATOM 0 HB ILE B 43 2.978 -1.650 -3.243 1.00 0.09 H new ATOM 0 HG12 ILE B 43 4.506 -3.680 -3.448 1.00 0.15 H new ATOM 0 HG13 ILE B 43 3.981 -3.233 -1.837 1.00 0.15 H new ATOM 0 HG21 ILE B 43 1.412 -2.668 -1.614 1.00 0.10 H new ATOM 0 HG22 ILE B 43 0.577 -2.057 -3.062 1.00 0.10 H new ATOM 0 HG23 ILE B 43 0.867 -3.803 -2.872 1.00 0.10 H new ATOM 0 HD11 ILE B 43 3.908 -5.664 -2.140 1.00 0.22 H new ATOM 0 HD12 ILE B 43 2.268 -5.020 -1.884 1.00 0.22 H new ATOM 0 HD13 ILE B 43 2.801 -5.473 -3.521 1.00 0.22 H new ATOM 1618 N ILE B 44 0.105 -2.567 -5.531 1.00 0.07 N ATOM 1619 CA ILE B 44 -1.057 -1.871 -6.078 1.00 0.08 C ATOM 1620 C ILE B 44 -2.247 -2.000 -5.131 1.00 0.10 C ATOM 1621 O ILE B 44 -2.632 -3.106 -4.773 1.00 0.20 O ATOM 1622 CB ILE B 44 -1.450 -2.453 -7.455 1.00 0.11 C ATOM 1623 CG1 ILE B 44 -0.240 -2.458 -8.394 1.00 0.10 C ATOM 1624 CG2 ILE B 44 -2.604 -1.662 -8.056 1.00 0.16 C ATOM 1625 CD1 ILE B 44 -0.539 -2.992 -9.779 1.00 0.14 C ATOM 0 H ILE B 44 -0.086 -3.520 -5.222 1.00 0.07 H new ATOM 0 HA ILE B 44 -0.790 -0.821 -6.195 1.00 0.08 H new ATOM 0 HB ILE B 44 -1.780 -3.483 -7.320 1.00 0.11 H new ATOM 0 HG12 ILE B 44 0.143 -1.441 -8.482 1.00 0.10 H new ATOM 0 HG13 ILE B 44 0.552 -3.059 -7.947 1.00 0.10 H new ATOM 0 HG21 ILE B 44 -2.869 -2.084 -9.025 1.00 0.16 H new ATOM 0 HG22 ILE B 44 -3.466 -1.713 -7.390 1.00 0.16 H new ATOM 0 HG23 ILE B 44 -2.305 -0.622 -8.183 1.00 0.16 H new ATOM 0 HD11 ILE B 44 0.367 -2.963 -10.384 1.00 0.14 H new ATOM 0 HD12 ILE B 44 -0.892 -4.020 -9.704 1.00 0.14 H new ATOM 0 HD13 ILE B 44 -1.308 -2.378 -10.248 1.00 0.14 H new ATOM 1637 N LEU B 45 -2.863 -0.889 -4.754 1.00 0.08 N ATOM 1638 CA LEU B 45 -3.922 -0.914 -3.753 1.00 0.09 C ATOM 1639 C LEU B 45 -5.234 -0.456 -4.361 1.00 0.12 C ATOM 1640 O LEU B 45 -5.249 0.404 -5.241 1.00 0.19 O ATOM 1641 CB LEU B 45 -3.590 -0.006 -2.560 1.00 0.13 C ATOM 1642 CG LEU B 45 -2.660 -0.591 -1.492 1.00 0.16 C ATOM 1643 CD1 LEU B 45 -1.291 -0.874 -2.063 1.00 0.13 C ATOM 1644 CD2 LEU B 45 -2.544 0.360 -0.313 1.00 0.26 C ATOM 0 H LEU B 45 -2.650 0.038 -5.124 1.00 0.08 H new ATOM 0 HA LEU B 45 -4.010 -1.942 -3.402 1.00 0.09 H new ATOM 0 HB2 LEU B 45 -3.137 0.908 -2.943 1.00 0.13 H new ATOM 0 HB3 LEU B 45 -4.525 0.280 -2.078 1.00 0.13 H new ATOM 0 HG LEU B 45 -3.091 -1.532 -1.149 1.00 0.16 H new ATOM 0 HD11 LEU B 45 -0.651 -1.288 -1.284 1.00 0.13 H new ATOM 0 HD12 LEU B 45 -1.379 -1.590 -2.880 1.00 0.13 H new ATOM 0 HD13 LEU B 45 -0.854 0.052 -2.437 1.00 0.13 H new ATOM 0 HD21 LEU B 45 -1.880 -0.070 0.437 1.00 0.26 H new ATOM 0 HD22 LEU B 45 -2.139 1.313 -0.653 1.00 0.26 H new ATOM 0 HD23 LEU B 45 -3.530 0.520 0.124 1.00 0.26 H new ATOM 1656 N LYS B 46 -6.325 -1.050 -3.900 1.00 0.11 N ATOM 1657 CA LYS B 46 -7.657 -0.583 -4.255 1.00 0.19 C ATOM 1658 C LYS B 46 -8.619 -0.931 -3.140 1.00 0.19 C ATOM 1659 O LYS B 46 -8.386 -1.877 -2.390 1.00 0.34 O ATOM 1660 CB LYS B 46 -8.154 -1.209 -5.568 1.00 0.40 C ATOM 1661 CG LYS B 46 -8.681 -2.634 -5.429 1.00 0.92 C ATOM 1662 CD LYS B 46 -9.589 -2.996 -6.592 1.00 0.98 C ATOM 1663 CE LYS B 46 -10.526 -4.147 -6.245 1.00 0.88 C ATOM 1664 NZ LYS B 46 -9.953 -5.482 -6.570 1.00 1.20 N ATOM 0 H LYS B 46 -6.314 -1.858 -3.278 1.00 0.11 H new ATOM 0 HA LYS B 46 -7.608 0.496 -4.398 1.00 0.19 H new ATOM 0 HB2 LYS B 46 -8.945 -0.581 -5.979 1.00 0.40 H new ATOM 0 HB3 LYS B 46 -7.337 -1.206 -6.290 1.00 0.40 H new ATOM 0 HG2 LYS B 46 -7.845 -3.332 -5.385 1.00 0.92 H new ATOM 0 HG3 LYS B 46 -9.228 -2.733 -4.492 1.00 0.92 H new ATOM 0 HD2 LYS B 46 -10.176 -2.124 -6.879 1.00 0.98 H new ATOM 0 HD3 LYS B 46 -8.982 -3.270 -7.455 1.00 0.98 H new ATOM 0 HE2 LYS B 46 -10.762 -4.108 -5.182 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -11.464 -4.019 -6.785 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -10.671 -6.217 -6.408 1.00 1.20 H new ATOM 0 HZ2 LYS B 46 -9.658 -5.500 -7.567 1.00 1.20 H new ATOM 0 HZ3 LYS B 46 -9.129 -5.663 -5.962 1.00 1.20 H new ATOM 1678 N LYS B 47 -9.681 -0.163 -3.011 1.00 0.16 N ATOM 1679 CA LYS B 47 -10.748 -0.524 -2.097 1.00 0.18 C ATOM 1680 C LYS B 47 -11.455 -1.745 -2.675 1.00 0.21 C ATOM 1681 O LYS B 47 -11.589 -1.861 -3.890 1.00 0.28 O ATOM 1682 CB LYS B 47 -11.713 0.653 -1.901 1.00 0.25 C ATOM 1683 CG LYS B 47 -12.563 0.586 -0.631 1.00 0.27 C ATOM 1684 CD LYS B 47 -13.715 -0.400 -0.737 1.00 0.32 C ATOM 1685 CE LYS B 47 -14.641 -0.318 0.469 1.00 0.42 C ATOM 1686 NZ LYS B 47 -15.226 1.038 0.639 1.00 0.76 N ATOM 0 H LYS B 47 -9.829 0.707 -3.522 1.00 0.16 H new ATOM 0 HA LYS B 47 -10.349 -0.764 -1.112 1.00 0.18 H new ATOM 0 HB2 LYS B 47 -11.136 1.578 -1.886 1.00 0.25 H new ATOM 0 HB3 LYS B 47 -12.378 0.706 -2.763 1.00 0.25 H new ATOM 0 HG2 LYS B 47 -11.928 0.305 0.210 1.00 0.27 H new ATOM 0 HG3 LYS B 47 -12.960 1.578 -0.414 1.00 0.27 H new ATOM 0 HD2 LYS B 47 -14.283 -0.200 -1.646 1.00 0.32 H new ATOM 0 HD3 LYS B 47 -13.320 -1.412 -0.824 1.00 0.32 H new ATOM 0 HE2 LYS B 47 -15.444 -1.047 0.358 1.00 0.42 H new ATOM 0 HE3 LYS B 47 -14.088 -0.588 1.368 1.00 0.42 H new ATOM 0 HZ1 LYS B 47 -15.962 1.009 1.374 1.00 0.76 H new ATOM 0 HZ2 LYS B 47 -14.480 1.705 0.922 1.00 0.76 H new ATOM 0 HZ3 LYS B 47 -15.646 1.350 -0.260 1.00 0.76 H new ATOM 1700 N TYR B 48 -11.890 -2.645 -1.808 1.00 0.20 N ATOM 1701 CA TYR B 48 -12.397 -3.948 -2.228 1.00 0.25 C ATOM 1702 C TYR B 48 -13.558 -3.811 -3.210 1.00 0.35 C ATOM 1703 O TYR B 48 -13.582 -4.452 -4.260 1.00 0.38 O ATOM 1704 CB TYR B 48 -12.860 -4.721 -0.997 1.00 0.33 C ATOM 1705 CG TYR B 48 -13.286 -6.145 -1.281 1.00 0.41 C ATOM 1706 CD1 TYR B 48 -12.353 -7.113 -1.628 1.00 1.30 C ATOM 1707 CD2 TYR B 48 -14.621 -6.519 -1.192 1.00 1.05 C ATOM 1708 CE1 TYR B 48 -12.738 -8.414 -1.880 1.00 1.37 C ATOM 1709 CE2 TYR B 48 -15.015 -7.820 -1.445 1.00 1.08 C ATOM 1710 CZ TYR B 48 -14.070 -8.763 -1.787 1.00 0.63 C ATOM 1711 OH TYR B 48 -14.454 -10.062 -2.033 1.00 0.76 O ATOM 0 H TYR B 48 -11.903 -2.498 -0.799 1.00 0.20 H new ATOM 0 HA TYR B 48 -11.593 -4.482 -2.735 1.00 0.25 H new ATOM 0 HB2 TYR B 48 -12.052 -4.735 -0.266 1.00 0.33 H new ATOM 0 HB3 TYR B 48 -13.694 -4.189 -0.540 1.00 0.33 H new ATOM 0 HD1 TYR B 48 -11.310 -6.844 -1.702 1.00 1.30 H new ATOM 0 HD2 TYR B 48 -15.363 -5.782 -0.921 1.00 1.05 H new ATOM 0 HE1 TYR B 48 -12.000 -9.156 -2.149 1.00 1.37 H new ATOM 0 HE2 TYR B 48 -16.057 -8.095 -1.375 1.00 1.08 H new ATOM 0 HH TYR B 48 -15.425 -10.142 -1.924 1.00 0.76 H new ATOM 1721 N LYS B 49 -14.512 -2.977 -2.840 1.00 0.47 N ATOM 1722 CA LYS B 49 -15.726 -2.769 -3.623 1.00 0.65 C ATOM 1723 C LYS B 49 -15.471 -2.120 -5.000 1.00 0.73 C ATOM 1724 O LYS B 49 -15.743 -2.745 -6.027 1.00 0.85 O ATOM 1725 CB LYS B 49 -16.720 -1.950 -2.802 1.00 0.75 C ATOM 1726 CG LYS B 49 -17.842 -2.786 -2.217 1.00 1.04 C ATOM 1727 CD LYS B 49 -18.785 -1.956 -1.364 1.00 1.62 C ATOM 1728 CE LYS B 49 -19.959 -2.789 -0.876 1.00 2.34 C ATOM 1729 NZ LYS B 49 -20.864 -3.186 -1.987 1.00 3.00 N ATOM 0 H LYS B 49 -14.471 -2.421 -1.986 1.00 0.47 H new ATOM 0 HA LYS B 49 -16.144 -3.752 -3.842 1.00 0.65 H new ATOM 0 HB2 LYS B 49 -16.188 -1.450 -1.993 1.00 0.75 H new ATOM 0 HB3 LYS B 49 -17.147 -1.170 -3.433 1.00 0.75 H new ATOM 0 HG2 LYS B 49 -18.403 -3.256 -3.025 1.00 1.04 H new ATOM 0 HG3 LYS B 49 -17.419 -3.589 -1.613 1.00 1.04 H new ATOM 0 HD2 LYS B 49 -18.244 -1.549 -0.510 1.00 1.62 H new ATOM 0 HD3 LYS B 49 -19.152 -1.108 -1.942 1.00 1.62 H new ATOM 0 HE2 LYS B 49 -19.586 -3.683 -0.376 1.00 2.34 H new ATOM 0 HE3 LYS B 49 -20.522 -2.222 -0.135 1.00 2.34 H new ATOM 0 HZ1 LYS B 49 -21.760 -3.540 -1.595 1.00 3.00 H new ATOM 0 HZ2 LYS B 49 -21.053 -2.362 -2.592 1.00 3.00 H new ATOM 0 HZ3 LYS B 49 -20.413 -3.934 -2.552 1.00 3.00 H new ATOM 1743 N PRO B 50 -14.968 -0.863 -5.064 1.00 0.72 N ATOM 1744 CA PRO B 50 -14.764 -0.171 -6.340 1.00 0.88 C ATOM 1745 C PRO B 50 -13.704 -0.837 -7.208 1.00 0.96 C ATOM 1746 O PRO B 50 -12.882 -1.615 -6.719 1.00 1.49 O ATOM 1747 CB PRO B 50 -14.323 1.238 -5.940 1.00 0.94 C ATOM 1748 CG PRO B 50 -13.787 1.093 -4.561 1.00 0.92 C ATOM 1749 CD PRO B 50 -14.564 -0.025 -3.926 1.00 0.62 C ATOM 0 HA PRO B 50 -15.671 -0.184 -6.944 1.00 0.88 H new ATOM 0 HB2 PRO B 50 -13.564 1.623 -6.621 1.00 0.94 H new ATOM 0 HB3 PRO B 50 -15.159 1.937 -5.968 1.00 0.94 H new ATOM 0 HG2 PRO B 50 -12.721 0.865 -4.579 1.00 0.92 H new ATOM 0 HG3 PRO B 50 -13.905 2.019 -3.998 1.00 0.92 H new ATOM 0 HD2 PRO B 50 -13.954 -0.583 -3.215 1.00 0.62 H new ATOM 0 HD3 PRO B 50 -15.429 0.350 -3.378 1.00 0.62 H new ATOM 1757 N HIS B 51 -13.761 -0.534 -8.502 1.00 1.41 N ATOM 1758 CA HIS B 51 -12.862 -1.097 -9.512 1.00 1.55 C ATOM 1759 C HIS B 51 -13.261 -2.536 -9.839 1.00 1.83 C ATOM 1760 O HIS B 51 -13.144 -2.973 -10.986 1.00 2.39 O ATOM 1761 CB HIS B 51 -11.396 -1.012 -9.081 1.00 2.03 C ATOM 1762 CG HIS B 51 -10.449 -0.922 -10.235 1.00 2.93 C ATOM 1763 ND1 HIS B 51 -10.302 0.223 -10.981 1.00 3.73 N ATOM 1764 CD2 HIS B 51 -9.609 -1.833 -10.780 1.00 3.63 C ATOM 1765 CE1 HIS B 51 -9.419 0.019 -11.933 1.00 4.57 C ATOM 1766 NE2 HIS B 51 -8.980 -1.222 -11.837 1.00 4.53 N ATOM 0 H HIS B 51 -14.443 0.120 -8.887 1.00 1.41 H new ATOM 0 HA HIS B 51 -12.961 -0.498 -10.417 1.00 1.55 H new ATOM 0 HB2 HIS B 51 -11.262 -0.141 -8.440 1.00 2.03 H new ATOM 0 HB3 HIS B 51 -11.148 -1.889 -8.483 1.00 2.03 H new ATOM 0 HD2 HIS B 51 -9.461 -2.849 -10.446 1.00 3.63 H new ATOM 0 HE1 HIS B 51 -9.106 0.744 -12.669 1.00 4.57 H new ATOM 0 HE2 HIS B 51 -8.288 -1.656 -12.447 1.00 4.53 H new ATOM 1775 N GLY B 52 -13.733 -3.262 -8.829 1.00 2.12 N ATOM 1776 CA GLY B 52 -14.302 -4.578 -9.044 1.00 2.80 C ATOM 1777 C GLY B 52 -13.267 -5.652 -9.275 1.00 2.86 C ATOM 1778 O GLY B 52 -12.950 -6.426 -8.370 1.00 3.07 O ATOM 0 H GLY B 52 -13.730 -2.956 -7.856 1.00 2.12 H new ATOM 0 HA2 GLY B 52 -14.908 -4.849 -8.179 1.00 2.80 H new ATOM 0 HA3 GLY B 52 -14.972 -4.539 -9.903 1.00 2.80 H new ATOM 1782 N VAL B 53 -12.750 -5.685 -10.492 1.00 3.08 N ATOM 1783 CA VAL B 53 -11.840 -6.735 -10.935 1.00 3.27 C ATOM 1784 C VAL B 53 -10.619 -6.880 -10.023 1.00 2.62 C ATOM 1785 O VAL B 53 -10.103 -5.900 -9.468 1.00 2.40 O ATOM 1786 CB VAL B 53 -11.380 -6.495 -12.394 1.00 4.11 C ATOM 1787 CG1 VAL B 53 -10.685 -5.148 -12.536 1.00 4.23 C ATOM 1788 CG2 VAL B 53 -10.471 -7.619 -12.872 1.00 4.58 C ATOM 0 H VAL B 53 -12.949 -4.983 -11.205 1.00 3.08 H new ATOM 0 HA VAL B 53 -12.402 -7.667 -10.884 1.00 3.27 H new ATOM 0 HB VAL B 53 -12.270 -6.485 -13.023 1.00 4.11 H new ATOM 0 HG11 VAL B 53 -10.373 -5.007 -13.571 1.00 4.23 H new ATOM 0 HG12 VAL B 53 -11.373 -4.352 -12.253 1.00 4.23 H new ATOM 0 HG13 VAL B 53 -9.810 -5.120 -11.886 1.00 4.23 H new ATOM 0 HG21 VAL B 53 -10.163 -7.426 -13.899 1.00 4.58 H new ATOM 0 HG22 VAL B 53 -9.590 -7.671 -12.232 1.00 4.58 H new ATOM 0 HG23 VAL B 53 -11.009 -8.566 -12.827 1.00 4.58 H new ATOM 1798 N CYS B 54 -10.186 -8.120 -9.867 1.00 2.56 N ATOM 1799 CA CYS B 54 -9.018 -8.443 -9.073 1.00 1.99 C ATOM 1800 C CYS B 54 -8.047 -9.271 -9.902 1.00 2.09 C ATOM 1801 O CYS B 54 -8.345 -10.464 -10.149 1.00 2.54 O ATOM 1802 CB CYS B 54 -9.423 -9.220 -7.823 1.00 2.24 C ATOM 1803 SG CYS B 54 -10.678 -8.397 -6.817 1.00 3.21 S ATOM 1804 OXT CYS B 54 -7.000 -8.732 -10.308 1.00 2.48 O ATOM 0 H CYS B 54 -10.637 -8.931 -10.290 1.00 2.56 H new ATOM 0 HA CYS B 54 -8.534 -7.516 -8.767 1.00 1.99 H new ATOM 0 HB2 CYS B 54 -9.797 -10.199 -8.122 1.00 2.24 H new ATOM 0 HB3 CYS B 54 -8.537 -9.391 -7.211 1.00 2.24 H new ATOM 0 HG CYS B 54 -11.453 -7.689 -7.584 1.00 3.21 H new TER 1810 CYS B 54