USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 946 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0502) USER MOD Single : A 2 LYS NZ :NH3+ 141:sc= 2.11 (180deg=0.675) USER MOD Single : A 3 SER OG : rot 152:sc= -0.236 USER MOD Single : A 9 LYS NZ :NH3+ -168:sc=-0.00232 (180deg=-0.141) USER MOD Single : A 18 MET CE :methyl 163:sc= -0.172 (180deg=-0.508) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -15:sc= 0.655 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -138:sc= 0.693 (180deg=0.0599) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0.00942 (180deg=0.00948) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS :FLIP no HE2:sc= 0.63 F(o=-2.1!,f=0.63) USER MOD Single : A 54 CYS SG : rot 54:sc= -1.83 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -159:sc= 0.333 (180deg=-0.306!) USER MOD Single : B 2 LYS NZ :NH3+ -169:sc= -1.15 (180deg=-1.49) USER MOD Single : B 3 SER OG : rot 160:sc= -0.0643 USER MOD Single : B 9 LYS NZ :NH3+ -168:sc=-0.00566 (180deg=-0.204) USER MOD Single : B 18 MET CE :methyl 143:sc= -1.69 (180deg=-5.35!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot 17:sc= 0.366 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 1.3 (180deg=1.3) USER MOD Single : B 47 LYS NZ :NH3+ 174:sc= -0.133 (180deg=-0.34) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= -0.146 X(o=-0.15,f=0.027) USER MOD Single : B 54 CYS SG : rot 180:sc= 0.847 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.384 -13.972 -6.452 1.00 2.66 N ATOM 2 CA MET A 1 -8.518 -12.517 -6.214 1.00 2.32 C ATOM 3 C MET A 1 -7.145 -11.867 -6.152 1.00 1.80 C ATOM 4 O MET A 1 -6.367 -12.138 -5.242 1.00 2.36 O ATOM 5 CB MET A 1 -9.272 -12.248 -4.909 1.00 2.85 C ATOM 6 CG MET A 1 -10.736 -12.659 -4.937 1.00 3.24 C ATOM 7 SD MET A 1 -11.706 -11.707 -6.123 1.00 3.98 S ATOM 8 CE MET A 1 -13.340 -12.383 -5.820 1.00 4.57 C ATOM 0 H1 MET A 1 -9.325 -14.386 -6.611 1.00 2.66 H new ATOM 0 H2 MET A 1 -7.789 -14.133 -7.290 1.00 2.66 H new ATOM 0 H3 MET A 1 -7.944 -14.420 -5.623 1.00 2.66 H new ATOM 0 HA MET A 1 -9.084 -12.088 -7.041 1.00 2.32 H new ATOM 0 HB2 MET A 1 -8.773 -12.779 -4.098 1.00 2.85 H new ATOM 0 HB3 MET A 1 -9.209 -11.184 -4.679 1.00 2.85 H new ATOM 0 HG2 MET A 1 -10.807 -13.718 -5.184 1.00 3.24 H new ATOM 0 HG3 MET A 1 -11.163 -12.534 -3.942 1.00 3.24 H new ATOM 0 HE1 MET A 1 -14.062 -11.898 -6.477 1.00 4.57 H new ATOM 0 HE2 MET A 1 -13.333 -13.455 -6.017 1.00 4.57 H new ATOM 0 HE3 MET A 1 -13.620 -12.207 -4.781 1.00 4.57 H new ATOM 20 N LYS A 2 -6.843 -11.041 -7.148 1.00 1.18 N ATOM 21 CA LYS A 2 -5.599 -10.270 -7.187 1.00 0.75 C ATOM 22 C LYS A 2 -4.349 -11.145 -7.177 1.00 0.67 C ATOM 23 O LYS A 2 -4.407 -12.370 -7.297 1.00 1.02 O ATOM 24 CB LYS A 2 -5.511 -9.295 -6.013 1.00 0.88 C ATOM 25 CG LYS A 2 -6.374 -8.064 -6.161 1.00 0.85 C ATOM 26 CD LYS A 2 -5.963 -7.020 -5.145 1.00 1.06 C ATOM 27 CE LYS A 2 -6.635 -5.688 -5.395 1.00 1.13 C ATOM 28 NZ LYS A 2 -8.102 -5.830 -5.586 1.00 1.88 N ATOM 0 H LYS A 2 -7.451 -10.885 -7.952 1.00 1.18 H new ATOM 0 HA LYS A 2 -5.631 -9.726 -8.131 1.00 0.75 H new ATOM 0 HB2 LYS A 2 -5.797 -9.817 -5.100 1.00 0.88 H new ATOM 0 HB3 LYS A 2 -4.473 -8.984 -5.891 1.00 0.88 H new ATOM 0 HG2 LYS A 2 -6.277 -7.661 -7.169 1.00 0.85 H new ATOM 0 HG3 LYS A 2 -7.423 -8.326 -6.022 1.00 0.85 H new ATOM 0 HD2 LYS A 2 -6.214 -7.370 -4.144 1.00 1.06 H new ATOM 0 HD3 LYS A 2 -4.881 -6.891 -5.175 1.00 1.06 H new ATOM 0 HE2 LYS A 2 -6.442 -5.021 -4.554 1.00 1.13 H new ATOM 0 HE3 LYS A 2 -6.198 -5.222 -6.278 1.00 1.13 H new ATOM 0 HZ1 LYS A 2 -8.591 -5.039 -5.120 1.00 1.88 H new ATOM 0 HZ2 LYS A 2 -8.322 -5.822 -6.602 1.00 1.88 H new ATOM 0 HZ3 LYS A 2 -8.421 -6.728 -5.169 1.00 1.88 H new ATOM 42 N SER A 3 -3.215 -10.475 -7.027 1.00 0.47 N ATOM 43 CA SER A 3 -1.925 -11.126 -6.939 1.00 0.43 C ATOM 44 C SER A 3 -1.683 -11.613 -5.516 1.00 0.35 C ATOM 45 O SER A 3 -1.316 -12.766 -5.295 1.00 0.42 O ATOM 46 CB SER A 3 -0.833 -10.146 -7.364 1.00 0.48 C ATOM 47 OG SER A 3 0.440 -10.755 -7.339 1.00 0.84 O ATOM 0 H SER A 3 -3.169 -9.458 -6.963 1.00 0.47 H new ATOM 0 HA SER A 3 -1.906 -11.989 -7.605 1.00 0.43 H new ATOM 0 HB2 SER A 3 -1.043 -9.778 -8.368 1.00 0.48 H new ATOM 0 HB3 SER A 3 -0.838 -9.282 -6.700 1.00 0.48 H new ATOM 0 HG SER A 3 1.023 -10.321 -7.996 1.00 0.84 H new ATOM 53 N ILE A 4 -1.902 -10.728 -4.553 1.00 0.31 N ATOM 54 CA ILE A 4 -1.750 -11.085 -3.151 1.00 0.29 C ATOM 55 C ILE A 4 -3.085 -11.568 -2.604 1.00 0.30 C ATOM 56 O ILE A 4 -3.153 -12.520 -1.829 1.00 0.36 O ATOM 57 CB ILE A 4 -1.254 -9.895 -2.302 1.00 0.27 C ATOM 58 CG1 ILE A 4 -0.530 -8.863 -3.177 1.00 0.30 C ATOM 59 CG2 ILE A 4 -0.329 -10.392 -1.200 1.00 0.32 C ATOM 60 CD1 ILE A 4 0.085 -7.721 -2.392 1.00 0.27 C ATOM 0 H ILE A 4 -2.184 -9.762 -4.717 1.00 0.31 H new ATOM 0 HA ILE A 4 -1.002 -11.876 -3.090 1.00 0.29 H new ATOM 0 HB ILE A 4 -2.119 -9.410 -1.850 1.00 0.27 H new ATOM 0 HG12 ILE A 4 0.254 -9.366 -3.743 1.00 0.30 H new ATOM 0 HG13 ILE A 4 -1.235 -8.456 -3.901 1.00 0.30 H new ATOM 0 HG21 ILE A 4 0.016 -9.546 -0.606 1.00 0.32 H new ATOM 0 HG22 ILE A 4 -0.868 -11.089 -0.559 1.00 0.32 H new ATOM 0 HG23 ILE A 4 0.528 -10.897 -1.645 1.00 0.32 H new ATOM 0 HD11 ILE A 4 0.579 -7.033 -3.078 1.00 0.27 H new ATOM 0 HD12 ILE A 4 -0.697 -7.192 -1.847 1.00 0.27 H new ATOM 0 HD13 ILE A 4 0.816 -8.116 -1.686 1.00 0.27 H new ATOM 72 N GLY A 5 -4.149 -10.899 -3.036 1.00 0.32 N ATOM 73 CA GLY A 5 -5.493 -11.289 -2.644 1.00 0.35 C ATOM 74 C GLY A 5 -5.778 -11.011 -1.190 1.00 0.31 C ATOM 75 O GLY A 5 -6.597 -11.689 -0.564 1.00 0.42 O ATOM 0 H GLY A 5 -4.105 -10.089 -3.654 1.00 0.32 H new ATOM 0 HA2 GLY A 5 -6.216 -10.755 -3.260 1.00 0.35 H new ATOM 0 HA3 GLY A 5 -5.630 -12.352 -2.840 1.00 0.35 H new ATOM 79 N VAL A 6 -5.105 -10.011 -0.651 1.00 0.22 N ATOM 80 CA VAL A 6 -5.273 -9.656 0.743 1.00 0.21 C ATOM 81 C VAL A 6 -5.842 -8.252 0.889 1.00 0.20 C ATOM 82 O VAL A 6 -5.430 -7.317 0.199 1.00 0.24 O ATOM 83 CB VAL A 6 -3.954 -9.771 1.537 1.00 0.21 C ATOM 84 CG1 VAL A 6 -3.572 -11.228 1.735 1.00 0.27 C ATOM 85 CG2 VAL A 6 -2.832 -9.027 0.835 1.00 0.19 C ATOM 0 H VAL A 6 -4.437 -9.431 -1.159 1.00 0.22 H new ATOM 0 HA VAL A 6 -5.981 -10.372 1.161 1.00 0.21 H new ATOM 0 HB VAL A 6 -4.111 -9.315 2.515 1.00 0.21 H new ATOM 0 HG11 VAL A 6 -2.640 -11.287 2.297 1.00 0.27 H new ATOM 0 HG12 VAL A 6 -4.361 -11.739 2.287 1.00 0.27 H new ATOM 0 HG13 VAL A 6 -3.441 -11.705 0.764 1.00 0.27 H new ATOM 0 HG21 VAL A 6 -1.914 -9.123 1.414 1.00 0.19 H new ATOM 0 HG22 VAL A 6 -2.681 -9.450 -0.158 1.00 0.19 H new ATOM 0 HG23 VAL A 6 -3.095 -7.973 0.744 1.00 0.19 H new ATOM 95 N VAL A 7 -6.781 -8.133 1.812 1.00 0.17 N ATOM 96 CA VAL A 7 -7.478 -6.885 2.068 1.00 0.16 C ATOM 97 C VAL A 7 -7.296 -6.493 3.529 1.00 0.19 C ATOM 98 O VAL A 7 -7.225 -7.356 4.407 1.00 0.29 O ATOM 99 CB VAL A 7 -8.984 -6.997 1.716 1.00 0.17 C ATOM 100 CG1 VAL A 7 -9.632 -8.156 2.460 1.00 0.22 C ATOM 101 CG2 VAL A 7 -9.718 -5.694 2.014 1.00 0.16 C ATOM 0 H VAL A 7 -7.083 -8.904 2.408 1.00 0.17 H new ATOM 0 HA VAL A 7 -7.051 -6.111 1.430 1.00 0.16 H new ATOM 0 HB VAL A 7 -9.059 -7.191 0.646 1.00 0.17 H new ATOM 0 HG11 VAL A 7 -10.688 -8.213 2.196 1.00 0.22 H new ATOM 0 HG12 VAL A 7 -9.138 -9.087 2.184 1.00 0.22 H new ATOM 0 HG13 VAL A 7 -9.535 -7.999 3.534 1.00 0.22 H new ATOM 0 HG21 VAL A 7 -10.772 -5.803 1.757 1.00 0.16 H new ATOM 0 HG22 VAL A 7 -9.625 -5.459 3.074 1.00 0.16 H new ATOM 0 HG23 VAL A 7 -9.282 -4.888 1.424 1.00 0.16 H new ATOM 111 N ARG A 8 -7.189 -5.200 3.781 1.00 0.15 N ATOM 112 CA ARG A 8 -6.963 -4.692 5.120 1.00 0.16 C ATOM 113 C ARG A 8 -8.035 -3.699 5.494 1.00 0.15 C ATOM 114 O ARG A 8 -8.603 -3.031 4.629 1.00 0.16 O ATOM 115 CB ARG A 8 -5.593 -4.019 5.223 1.00 0.16 C ATOM 116 CG ARG A 8 -4.523 -4.902 5.843 1.00 0.25 C ATOM 117 CD ARG A 8 -4.396 -6.226 5.114 1.00 0.34 C ATOM 118 NE ARG A 8 -3.395 -7.096 5.718 1.00 0.81 N ATOM 119 CZ ARG A 8 -3.663 -8.314 6.182 1.00 0.85 C ATOM 120 NH1 ARG A 8 -4.902 -8.789 6.109 1.00 0.79 N ATOM 121 NH2 ARG A 8 -2.698 -9.051 6.720 1.00 1.43 N ATOM 0 H ARG A 8 -7.256 -4.476 3.065 1.00 0.15 H new ATOM 0 HA ARG A 8 -6.996 -5.537 5.807 1.00 0.16 H new ATOM 0 HB2 ARG A 8 -5.270 -3.718 4.226 1.00 0.16 H new ATOM 0 HB3 ARG A 8 -5.689 -3.109 5.816 1.00 0.16 H new ATOM 0 HG2 ARG A 8 -3.565 -4.382 5.822 1.00 0.25 H new ATOM 0 HG3 ARG A 8 -4.764 -5.085 6.890 1.00 0.25 H new ATOM 0 HD2 ARG A 8 -5.361 -6.732 5.114 1.00 0.34 H new ATOM 0 HD3 ARG A 8 -4.133 -6.041 4.073 1.00 0.34 H new ATOM 0 HE ARG A 8 -2.437 -6.753 5.789 1.00 0.81 H new ATOM 0 HH11 ARG A 8 -5.643 -8.220 5.699 1.00 0.79 H new ATOM 0 HH12 ARG A 8 -5.112 -9.722 6.463 1.00 0.79 H new ATOM 0 HH21 ARG A 8 -1.748 -8.684 6.778 1.00 1.43 H new ATOM 0 HH22 ARG A 8 -2.907 -9.984 7.075 1.00 1.43 H new ATOM 135 N LYS A 9 -8.332 -3.631 6.773 1.00 0.17 N ATOM 136 CA LYS A 9 -9.214 -2.611 7.285 1.00 0.18 C ATOM 137 C LYS A 9 -8.395 -1.565 8.024 1.00 0.20 C ATOM 138 O LYS A 9 -7.700 -1.882 8.993 1.00 0.24 O ATOM 139 CB LYS A 9 -10.287 -3.221 8.196 1.00 0.20 C ATOM 140 CG LYS A 9 -11.139 -4.283 7.510 1.00 0.21 C ATOM 141 CD LYS A 9 -11.673 -3.794 6.170 1.00 0.23 C ATOM 142 CE LYS A 9 -12.644 -4.782 5.542 1.00 0.67 C ATOM 143 NZ LYS A 9 -12.103 -6.166 5.506 1.00 1.22 N ATOM 0 H LYS A 9 -7.973 -4.274 7.479 1.00 0.17 H new ATOM 0 HA LYS A 9 -9.731 -2.133 6.453 1.00 0.18 H new ATOM 0 HB2 LYS A 9 -9.804 -3.662 9.068 1.00 0.20 H new ATOM 0 HB3 LYS A 9 -10.937 -2.426 8.561 1.00 0.20 H new ATOM 0 HG2 LYS A 9 -10.545 -5.185 7.359 1.00 0.21 H new ATOM 0 HG3 LYS A 9 -11.973 -4.555 8.157 1.00 0.21 H new ATOM 0 HD2 LYS A 9 -12.172 -2.835 6.308 1.00 0.23 H new ATOM 0 HD3 LYS A 9 -10.839 -3.624 5.489 1.00 0.23 H new ATOM 0 HE2 LYS A 9 -13.578 -4.775 6.103 1.00 0.67 H new ATOM 0 HE3 LYS A 9 -12.879 -4.461 4.527 1.00 0.67 H new ATOM 0 HZ1 LYS A 9 -12.702 -6.757 4.895 1.00 1.22 H new ATOM 0 HZ2 LYS A 9 -11.134 -6.150 5.129 1.00 1.22 H new ATOM 0 HZ3 LYS A 9 -12.094 -6.560 6.468 1.00 1.22 H new ATOM 157 N VAL A 10 -8.468 -0.332 7.532 1.00 0.19 N ATOM 158 CA VAL A 10 -7.696 0.783 8.072 1.00 0.19 C ATOM 159 C VAL A 10 -7.843 0.895 9.589 1.00 0.20 C ATOM 160 O VAL A 10 -8.909 0.621 10.141 1.00 0.22 O ATOM 161 CB VAL A 10 -8.121 2.123 7.412 1.00 0.21 C ATOM 162 CG1 VAL A 10 -7.602 3.319 8.190 1.00 0.26 C ATOM 163 CG2 VAL A 10 -7.630 2.198 5.982 1.00 0.24 C ATOM 0 H VAL A 10 -9.066 -0.077 6.746 1.00 0.19 H new ATOM 0 HA VAL A 10 -6.650 0.582 7.842 1.00 0.19 H new ATOM 0 HB VAL A 10 -9.211 2.153 7.420 1.00 0.21 H new ATOM 0 HG11 VAL A 10 -7.919 4.239 7.698 1.00 0.26 H new ATOM 0 HG12 VAL A 10 -8.000 3.294 9.204 1.00 0.26 H new ATOM 0 HG13 VAL A 10 -6.513 3.284 8.227 1.00 0.26 H new ATOM 0 HG21 VAL A 10 -7.940 3.145 5.540 1.00 0.24 H new ATOM 0 HG22 VAL A 10 -6.542 2.129 5.967 1.00 0.24 H new ATOM 0 HG23 VAL A 10 -8.054 1.374 5.408 1.00 0.24 H new ATOM 173 N ASP A 11 -6.744 1.260 10.246 1.00 0.21 N ATOM 174 CA ASP A 11 -6.744 1.557 11.669 1.00 0.24 C ATOM 175 C ASP A 11 -7.805 2.614 11.988 1.00 0.25 C ATOM 176 O ASP A 11 -8.902 2.289 12.440 1.00 0.33 O ATOM 177 CB ASP A 11 -5.335 2.034 12.068 1.00 0.30 C ATOM 178 CG ASP A 11 -5.276 2.763 13.398 1.00 1.07 C ATOM 179 OD1 ASP A 11 -5.245 2.096 14.452 1.00 1.88 O ATOM 180 OD2 ASP A 11 -5.226 4.012 13.383 1.00 1.75 O ATOM 0 H ASP A 11 -5.830 1.357 9.803 1.00 0.21 H new ATOM 0 HA ASP A 11 -6.993 0.664 12.243 1.00 0.24 H new ATOM 0 HB2 ASP A 11 -4.670 1.171 12.110 1.00 0.30 H new ATOM 0 HB3 ASP A 11 -4.953 2.693 11.288 1.00 0.30 H new ATOM 185 N GLU A 12 -7.459 3.864 11.717 1.00 0.26 N ATOM 186 CA GLU A 12 -8.348 5.016 11.868 1.00 0.27 C ATOM 187 C GLU A 12 -7.769 6.139 11.034 1.00 0.26 C ATOM 188 O GLU A 12 -8.462 6.817 10.282 1.00 0.30 O ATOM 189 CB GLU A 12 -8.425 5.491 13.330 1.00 0.33 C ATOM 190 CG GLU A 12 -9.032 4.491 14.292 1.00 0.47 C ATOM 191 CD GLU A 12 -9.016 4.972 15.725 1.00 0.91 C ATOM 192 OE1 GLU A 12 -9.887 5.787 16.094 1.00 1.42 O ATOM 193 OE2 GLU A 12 -8.143 4.526 16.497 1.00 1.69 O ATOM 0 H GLU A 12 -6.531 4.116 11.378 1.00 0.26 H new ATOM 0 HA GLU A 12 -9.353 4.735 11.552 1.00 0.27 H new ATOM 0 HB2 GLU A 12 -7.419 5.737 13.671 1.00 0.33 H new ATOM 0 HB3 GLU A 12 -9.009 6.411 13.368 1.00 0.33 H new ATOM 0 HG2 GLU A 12 -10.060 4.285 13.994 1.00 0.47 H new ATOM 0 HG3 GLU A 12 -8.486 3.550 14.223 1.00 0.47 H new ATOM 200 N LEU A 13 -6.460 6.296 11.185 1.00 0.24 N ATOM 201 CA LEU A 13 -5.687 7.310 10.483 1.00 0.26 C ATOM 202 C LEU A 13 -5.489 6.929 9.023 1.00 0.26 C ATOM 203 O LEU A 13 -5.419 7.784 8.145 1.00 0.55 O ATOM 204 CB LEU A 13 -4.314 7.417 11.135 1.00 0.40 C ATOM 205 CG LEU A 13 -4.307 7.521 12.655 1.00 0.38 C ATOM 206 CD1 LEU A 13 -2.911 7.226 13.180 1.00 0.71 C ATOM 207 CD2 LEU A 13 -4.773 8.898 13.104 1.00 0.55 C ATOM 0 H LEU A 13 -5.899 5.714 11.807 1.00 0.24 H new ATOM 0 HA LEU A 13 -6.226 8.256 10.536 1.00 0.26 H new ATOM 0 HB2 LEU A 13 -3.727 6.545 10.847 1.00 0.40 H new ATOM 0 HB3 LEU A 13 -3.807 8.291 10.728 1.00 0.40 H new ATOM 0 HG LEU A 13 -5.001 6.786 13.063 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -2.908 7.301 14.267 1.00 0.71 H new ATOM 0 HD12 LEU A 13 -2.617 6.219 12.885 1.00 0.71 H new ATOM 0 HD13 LEU A 13 -2.206 7.946 12.765 1.00 0.71 H new ATOM 0 HD21 LEU A 13 -4.760 8.949 14.193 1.00 0.55 H new ATOM 0 HD22 LEU A 13 -4.107 9.658 12.697 1.00 0.55 H new ATOM 0 HD23 LEU A 13 -5.787 9.074 12.745 1.00 0.55 H new ATOM 219 N GLY A 14 -5.389 5.633 8.786 1.00 0.21 N ATOM 220 CA GLY A 14 -5.036 5.140 7.473 1.00 0.16 C ATOM 221 C GLY A 14 -3.993 4.043 7.557 1.00 0.12 C ATOM 222 O GLY A 14 -3.583 3.484 6.547 1.00 0.11 O ATOM 0 H GLY A 14 -5.547 4.908 9.485 1.00 0.21 H new ATOM 0 HA2 GLY A 14 -5.927 4.760 6.974 1.00 0.16 H new ATOM 0 HA3 GLY A 14 -4.655 5.960 6.865 1.00 0.16 H new ATOM 226 N ARG A 15 -3.571 3.725 8.775 1.00 0.12 N ATOM 227 CA ARG A 15 -2.540 2.715 8.984 1.00 0.13 C ATOM 228 C ARG A 15 -3.098 1.323 8.726 1.00 0.11 C ATOM 229 O ARG A 15 -4.138 0.960 9.274 1.00 0.13 O ATOM 230 CB ARG A 15 -2.001 2.774 10.417 1.00 0.17 C ATOM 231 CG ARG A 15 -1.672 4.175 10.900 1.00 0.21 C ATOM 232 CD ARG A 15 -1.013 4.159 12.275 1.00 0.28 C ATOM 233 NE ARG A 15 0.190 3.322 12.317 1.00 1.31 N ATOM 234 CZ ARG A 15 1.350 3.711 12.854 1.00 1.71 C ATOM 235 NH1 ARG A 15 1.476 4.935 13.352 1.00 1.58 N ATOM 236 NH2 ARG A 15 2.380 2.873 12.901 1.00 2.72 N ATOM 0 H ARG A 15 -3.926 4.151 9.631 1.00 0.12 H new ATOM 0 HA ARG A 15 -1.729 2.921 8.285 1.00 0.13 H new ATOM 0 HB2 ARG A 15 -2.738 2.334 11.089 1.00 0.17 H new ATOM 0 HB3 ARG A 15 -1.103 2.159 10.481 1.00 0.17 H new ATOM 0 HG2 ARG A 15 -1.008 4.660 10.184 1.00 0.21 H new ATOM 0 HG3 ARG A 15 -2.585 4.769 10.941 1.00 0.21 H new ATOM 0 HD2 ARG A 15 -0.751 5.178 12.560 1.00 0.28 H new ATOM 0 HD3 ARG A 15 -1.729 3.796 13.012 1.00 0.28 H new ATOM 0 HE ARG A 15 0.138 2.387 11.912 1.00 1.31 H new ATOM 0 HH11 ARG A 15 0.687 5.580 13.325 1.00 1.58 H new ATOM 0 HH12 ARG A 15 2.362 5.230 13.762 1.00 1.58 H new ATOM 0 HH21 ARG A 15 2.287 1.929 12.526 1.00 2.72 H new ATOM 0 HH22 ARG A 15 3.264 3.174 13.312 1.00 2.72 H new ATOM 250 N ILE A 16 -2.423 0.553 7.890 1.00 0.10 N ATOM 251 CA ILE A 16 -2.819 -0.826 7.640 1.00 0.10 C ATOM 252 C ILE A 16 -1.580 -1.714 7.680 1.00 0.09 C ATOM 253 O ILE A 16 -0.474 -1.230 7.910 1.00 0.10 O ATOM 254 CB ILE A 16 -3.572 -1.001 6.287 1.00 0.11 C ATOM 255 CG1 ILE A 16 -2.594 -1.192 5.124 1.00 0.12 C ATOM 256 CG2 ILE A 16 -4.488 0.187 6.017 1.00 0.14 C ATOM 257 CD1 ILE A 16 -3.251 -1.157 3.760 1.00 0.16 C ATOM 0 H ILE A 16 -1.598 0.857 7.372 1.00 0.10 H new ATOM 0 HA ILE A 16 -3.520 -1.120 8.421 1.00 0.10 H new ATOM 0 HB ILE A 16 -4.183 -1.900 6.367 1.00 0.11 H new ATOM 0 HG12 ILE A 16 -1.833 -0.413 5.170 1.00 0.12 H new ATOM 0 HG13 ILE A 16 -2.082 -2.146 5.246 1.00 0.12 H new ATOM 0 HG21 ILE A 16 -5.002 0.041 5.067 1.00 0.14 H new ATOM 0 HG22 ILE A 16 -5.222 0.270 6.818 1.00 0.14 H new ATOM 0 HG23 ILE A 16 -3.895 1.101 5.972 1.00 0.14 H new ATOM 0 HD11 ILE A 16 -2.495 -1.299 2.988 1.00 0.16 H new ATOM 0 HD12 ILE A 16 -3.992 -1.953 3.693 1.00 0.16 H new ATOM 0 HD13 ILE A 16 -3.740 -0.193 3.616 1.00 0.16 H new ATOM 269 N VAL A 17 -1.752 -3.002 7.459 1.00 0.09 N ATOM 270 CA VAL A 17 -0.635 -3.928 7.541 1.00 0.10 C ATOM 271 C VAL A 17 -0.325 -4.532 6.180 1.00 0.11 C ATOM 272 O VAL A 17 -1.119 -5.293 5.617 1.00 0.16 O ATOM 273 CB VAL A 17 -0.871 -5.040 8.598 1.00 0.12 C ATOM 274 CG1 VAL A 17 -2.287 -5.583 8.529 1.00 0.16 C ATOM 275 CG2 VAL A 17 0.141 -6.171 8.439 1.00 0.16 C ATOM 0 H VAL A 17 -2.647 -3.431 7.223 1.00 0.09 H new ATOM 0 HA VAL A 17 0.231 -3.352 7.868 1.00 0.10 H new ATOM 0 HB VAL A 17 -0.732 -4.588 9.580 1.00 0.12 H new ATOM 0 HG11 VAL A 17 -2.416 -6.359 9.283 1.00 0.16 H new ATOM 0 HG12 VAL A 17 -2.996 -4.776 8.714 1.00 0.16 H new ATOM 0 HG13 VAL A 17 -2.467 -6.004 7.540 1.00 0.16 H new ATOM 0 HG21 VAL A 17 -0.047 -6.936 9.192 1.00 0.16 H new ATOM 0 HG22 VAL A 17 0.045 -6.608 7.445 1.00 0.16 H new ATOM 0 HG23 VAL A 17 1.149 -5.777 8.566 1.00 0.16 H new ATOM 285 N MET A 18 0.829 -4.161 5.647 1.00 0.09 N ATOM 286 CA MET A 18 1.314 -4.736 4.402 1.00 0.09 C ATOM 287 C MET A 18 1.985 -6.063 4.727 1.00 0.09 C ATOM 288 O MET A 18 2.522 -6.229 5.821 1.00 0.15 O ATOM 289 CB MET A 18 2.301 -3.795 3.698 1.00 0.12 C ATOM 290 CG MET A 18 1.807 -2.358 3.565 1.00 0.17 C ATOM 291 SD MET A 18 1.342 -1.909 1.880 1.00 0.84 S ATOM 292 CE MET A 18 -0.114 -2.913 1.636 1.00 0.61 C ATOM 0 H MET A 18 1.448 -3.463 6.058 1.00 0.09 H new ATOM 0 HA MET A 18 0.477 -4.888 3.721 1.00 0.09 H new ATOM 0 HB2 MET A 18 3.241 -3.795 4.249 1.00 0.12 H new ATOM 0 HB3 MET A 18 2.514 -4.188 2.704 1.00 0.12 H new ATOM 0 HG2 MET A 18 0.948 -2.215 4.221 1.00 0.17 H new ATOM 0 HG3 MET A 18 2.588 -1.680 3.911 1.00 0.17 H new ATOM 0 HE1 MET A 18 -0.679 -2.534 0.784 1.00 0.61 H new ATOM 0 HE2 MET A 18 0.183 -3.944 1.445 1.00 0.61 H new ATOM 0 HE3 MET A 18 -0.737 -2.874 2.530 1.00 0.61 H new ATOM 302 N PRO A 19 1.966 -7.027 3.805 1.00 0.09 N ATOM 303 CA PRO A 19 2.433 -8.367 4.091 1.00 0.11 C ATOM 304 C PRO A 19 3.925 -8.567 3.827 1.00 0.12 C ATOM 305 O PRO A 19 4.600 -7.741 3.185 1.00 0.12 O ATOM 306 CB PRO A 19 1.600 -9.213 3.132 1.00 0.13 C ATOM 307 CG PRO A 19 1.366 -8.338 1.944 1.00 0.14 C ATOM 308 CD PRO A 19 1.511 -6.899 2.414 1.00 0.12 C ATOM 0 HA PRO A 19 2.319 -8.621 5.145 1.00 0.11 H new ATOM 0 HB2 PRO A 19 2.127 -10.125 2.852 1.00 0.13 H new ATOM 0 HB3 PRO A 19 0.658 -9.516 3.590 1.00 0.13 H new ATOM 0 HG2 PRO A 19 2.084 -8.560 1.155 1.00 0.14 H new ATOM 0 HG3 PRO A 19 0.373 -8.510 1.529 1.00 0.14 H new ATOM 0 HD2 PRO A 19 2.231 -6.351 1.807 1.00 0.12 H new ATOM 0 HD3 PRO A 19 0.565 -6.361 2.351 1.00 0.12 H new ATOM 316 N ILE A 20 4.438 -9.678 4.335 1.00 0.16 N ATOM 317 CA ILE A 20 5.799 -10.096 4.059 1.00 0.18 C ATOM 318 C ILE A 20 6.036 -10.167 2.556 1.00 0.17 C ATOM 319 O ILE A 20 7.133 -9.903 2.083 1.00 0.18 O ATOM 320 CB ILE A 20 6.103 -11.466 4.715 1.00 0.24 C ATOM 321 CG1 ILE A 20 7.509 -11.959 4.354 1.00 0.29 C ATOM 322 CG2 ILE A 20 5.056 -12.497 4.314 1.00 0.26 C ATOM 323 CD1 ILE A 20 8.625 -11.075 4.862 1.00 0.32 C ATOM 0 H ILE A 20 3.923 -10.311 4.947 1.00 0.16 H new ATOM 0 HA ILE A 20 6.474 -9.356 4.488 1.00 0.18 H new ATOM 0 HB ILE A 20 6.064 -11.332 5.796 1.00 0.24 H new ATOM 0 HG12 ILE A 20 7.644 -12.963 4.756 1.00 0.29 H new ATOM 0 HG13 ILE A 20 7.587 -12.037 3.270 1.00 0.29 H new ATOM 0 HG21 ILE A 20 5.287 -13.452 4.785 1.00 0.26 H new ATOM 0 HG22 ILE A 20 4.071 -12.161 4.639 1.00 0.26 H new ATOM 0 HG23 ILE A 20 5.059 -12.616 3.231 1.00 0.26 H new ATOM 0 HD11 ILE A 20 9.586 -11.495 4.564 1.00 0.32 H new ATOM 0 HD12 ILE A 20 8.519 -10.076 4.440 1.00 0.32 H new ATOM 0 HD13 ILE A 20 8.576 -11.016 5.949 1.00 0.32 H new ATOM 335 N GLU A 21 4.983 -10.486 1.807 1.00 0.17 N ATOM 336 CA GLU A 21 5.062 -10.575 0.355 1.00 0.18 C ATOM 337 C GLU A 21 5.463 -9.237 -0.237 1.00 0.16 C ATOM 338 O GLU A 21 6.126 -9.176 -1.266 1.00 0.18 O ATOM 339 CB GLU A 21 3.722 -11.018 -0.222 1.00 0.21 C ATOM 340 CG GLU A 21 2.835 -11.701 0.804 1.00 0.20 C ATOM 341 CD GLU A 21 1.995 -12.819 0.223 1.00 0.35 C ATOM 342 OE1 GLU A 21 2.565 -13.714 -0.435 1.00 1.27 O ATOM 343 OE2 GLU A 21 0.771 -12.841 0.461 1.00 0.96 O ATOM 0 H GLU A 21 4.059 -10.688 2.188 1.00 0.17 H new ATOM 0 HA GLU A 21 5.820 -11.315 0.097 1.00 0.18 H new ATOM 0 HB2 GLU A 21 3.201 -10.150 -0.625 1.00 0.21 H new ATOM 0 HB3 GLU A 21 3.898 -11.699 -1.054 1.00 0.21 H new ATOM 0 HG2 GLU A 21 3.459 -12.102 1.603 1.00 0.20 H new ATOM 0 HG3 GLU A 21 2.177 -10.959 1.256 1.00 0.20 H new ATOM 350 N LEU A 22 5.072 -8.168 0.438 1.00 0.14 N ATOM 351 CA LEU A 22 5.447 -6.833 0.022 1.00 0.15 C ATOM 352 C LEU A 22 6.917 -6.603 0.309 1.00 0.15 C ATOM 353 O LEU A 22 7.656 -6.118 -0.543 1.00 0.16 O ATOM 354 CB LEU A 22 4.578 -5.784 0.731 1.00 0.18 C ATOM 355 CG LEU A 22 5.249 -4.429 0.991 1.00 0.23 C ATOM 356 CD1 LEU A 22 4.287 -3.294 0.683 1.00 0.29 C ATOM 357 CD2 LEU A 22 5.720 -4.341 2.442 1.00 0.32 C ATOM 0 H LEU A 22 4.494 -8.203 1.278 1.00 0.14 H new ATOM 0 HA LEU A 22 5.281 -6.733 -1.051 1.00 0.15 H new ATOM 0 HB2 LEU A 22 3.683 -5.616 0.132 1.00 0.18 H new ATOM 0 HB3 LEU A 22 4.251 -6.196 1.686 1.00 0.18 H new ATOM 0 HG LEU A 22 6.115 -4.340 0.335 1.00 0.23 H new ATOM 0 HD11 LEU A 22 4.778 -2.339 0.872 1.00 0.29 H new ATOM 0 HD12 LEU A 22 3.986 -3.346 -0.363 1.00 0.29 H new ATOM 0 HD13 LEU A 22 3.406 -3.381 1.319 1.00 0.29 H new ATOM 0 HD21 LEU A 22 6.194 -3.375 2.613 1.00 0.32 H new ATOM 0 HD22 LEU A 22 4.865 -4.448 3.109 1.00 0.32 H new ATOM 0 HD23 LEU A 22 6.437 -5.137 2.641 1.00 0.32 H new ATOM 369 N ARG A 23 7.340 -6.970 1.509 1.00 0.17 N ATOM 370 CA ARG A 23 8.743 -6.814 1.888 1.00 0.20 C ATOM 371 C ARG A 23 9.648 -7.606 0.948 1.00 0.21 C ATOM 372 O ARG A 23 10.661 -7.095 0.474 1.00 0.23 O ATOM 373 CB ARG A 23 8.961 -7.257 3.341 1.00 0.26 C ATOM 374 CG ARG A 23 8.161 -6.447 4.347 1.00 0.35 C ATOM 375 CD ARG A 23 8.645 -6.680 5.776 1.00 0.43 C ATOM 376 NE ARG A 23 8.070 -7.877 6.386 1.00 0.58 N ATOM 377 CZ ARG A 23 8.702 -8.629 7.292 1.00 0.42 C ATOM 378 NH1 ARG A 23 9.949 -8.344 7.650 1.00 0.82 N ATOM 379 NH2 ARG A 23 8.082 -9.664 7.839 1.00 0.82 N ATOM 0 H ARG A 23 6.744 -7.373 2.232 1.00 0.17 H new ATOM 0 HA ARG A 23 9.003 -5.759 1.805 1.00 0.20 H new ATOM 0 HB2 ARG A 23 8.691 -8.309 3.436 1.00 0.26 H new ATOM 0 HB3 ARG A 23 10.021 -7.177 3.582 1.00 0.26 H new ATOM 0 HG2 ARG A 23 8.240 -5.387 4.105 1.00 0.35 H new ATOM 0 HG3 ARG A 23 7.107 -6.714 4.272 1.00 0.35 H new ATOM 0 HD2 ARG A 23 9.732 -6.765 5.776 1.00 0.43 H new ATOM 0 HD3 ARG A 23 8.393 -5.812 6.385 1.00 0.43 H new ATOM 0 HE ARG A 23 7.130 -8.155 6.103 1.00 0.58 H new ATOM 0 HH11 ARG A 23 10.430 -7.547 7.233 1.00 0.82 H new ATOM 0 HH12 ARG A 23 10.426 -8.922 8.342 1.00 0.82 H new ATOM 0 HH21 ARG A 23 7.124 -9.886 7.568 1.00 0.82 H new ATOM 0 HH22 ARG A 23 8.563 -10.239 8.531 1.00 0.82 H new ATOM 393 N ARG A 24 9.260 -8.849 0.705 1.00 0.21 N ATOM 394 CA ARG A 24 9.973 -9.745 -0.201 1.00 0.24 C ATOM 395 C ARG A 24 9.993 -9.209 -1.624 1.00 0.23 C ATOM 396 O ARG A 24 11.054 -9.133 -2.243 1.00 0.25 O ATOM 397 CB ARG A 24 9.305 -11.115 -0.179 1.00 0.25 C ATOM 398 CG ARG A 24 9.319 -11.764 1.188 1.00 0.29 C ATOM 399 CD ARG A 24 8.359 -12.941 1.260 1.00 0.33 C ATOM 400 NE ARG A 24 8.689 -14.006 0.317 1.00 0.45 N ATOM 401 CZ ARG A 24 7.775 -14.788 -0.261 1.00 0.70 C ATOM 402 NH1 ARG A 24 6.483 -14.584 -0.033 1.00 0.87 N ATOM 403 NH2 ARG A 24 8.151 -15.763 -1.075 1.00 0.86 N ATOM 0 H ARG A 24 8.435 -9.270 1.133 1.00 0.21 H new ATOM 0 HA ARG A 24 11.006 -9.821 0.139 1.00 0.24 H new ATOM 0 HB2 ARG A 24 8.273 -11.014 -0.515 1.00 0.25 H new ATOM 0 HB3 ARG A 24 9.810 -11.769 -0.890 1.00 0.25 H new ATOM 0 HG2 ARG A 24 10.329 -12.103 1.420 1.00 0.29 H new ATOM 0 HG3 ARG A 24 9.049 -11.027 1.944 1.00 0.29 H new ATOM 0 HD2 ARG A 24 8.364 -13.345 2.272 1.00 0.33 H new ATOM 0 HD3 ARG A 24 7.346 -12.589 1.062 1.00 0.33 H new ATOM 0 HE ARG A 24 9.671 -14.161 0.088 1.00 0.45 H new ATOM 0 HH11 ARG A 24 6.187 -13.828 0.585 1.00 0.87 H new ATOM 0 HH12 ARG A 24 5.786 -15.183 -0.476 1.00 0.87 H new ATOM 0 HH21 ARG A 24 9.142 -15.918 -1.262 1.00 0.86 H new ATOM 0 HH22 ARG A 24 7.450 -16.359 -1.515 1.00 0.86 H new ATOM 417 N ALA A 25 8.817 -8.869 -2.150 1.00 0.21 N ATOM 418 CA ALA A 25 8.706 -8.302 -3.490 1.00 0.23 C ATOM 419 C ALA A 25 9.619 -7.099 -3.658 1.00 0.24 C ATOM 420 O ALA A 25 10.278 -6.935 -4.682 1.00 0.27 O ATOM 421 CB ALA A 25 7.271 -7.889 -3.768 1.00 0.23 C ATOM 0 H ALA A 25 7.926 -8.977 -1.665 1.00 0.21 H new ATOM 0 HA ALA A 25 9.011 -9.070 -4.201 1.00 0.23 H new ATOM 0 HB1 ALA A 25 7.201 -7.467 -4.771 1.00 0.23 H new ATOM 0 HB2 ALA A 25 6.621 -8.761 -3.695 1.00 0.23 H new ATOM 0 HB3 ALA A 25 6.959 -7.142 -3.038 1.00 0.23 H new ATOM 427 N LEU A 26 9.641 -6.268 -2.635 1.00 0.24 N ATOM 428 CA LEU A 26 10.377 -5.022 -2.670 1.00 0.27 C ATOM 429 C LEU A 26 11.833 -5.194 -2.243 1.00 0.29 C ATOM 430 O LEU A 26 12.696 -5.494 -3.070 1.00 0.37 O ATOM 431 CB LEU A 26 9.662 -4.004 -1.786 1.00 0.24 C ATOM 432 CG LEU A 26 8.280 -3.578 -2.292 1.00 0.25 C ATOM 433 CD1 LEU A 26 7.564 -2.728 -1.260 1.00 0.24 C ATOM 434 CD2 LEU A 26 8.408 -2.817 -3.599 1.00 0.32 C ATOM 0 H LEU A 26 9.150 -6.438 -1.758 1.00 0.24 H new ATOM 0 HA LEU A 26 10.404 -4.665 -3.699 1.00 0.27 H new ATOM 0 HB2 LEU A 26 9.555 -4.423 -0.786 1.00 0.24 H new ATOM 0 HB3 LEU A 26 10.290 -3.118 -1.694 1.00 0.24 H new ATOM 0 HG LEU A 26 7.690 -4.478 -2.464 1.00 0.25 H new ATOM 0 HD11 LEU A 26 6.585 -2.438 -1.643 1.00 0.24 H new ATOM 0 HD12 LEU A 26 7.439 -3.300 -0.341 1.00 0.24 H new ATOM 0 HD13 LEU A 26 8.152 -1.834 -1.054 1.00 0.24 H new ATOM 0 HD21 LEU A 26 7.418 -2.521 -3.946 1.00 0.32 H new ATOM 0 HD22 LEU A 26 9.019 -1.928 -3.444 1.00 0.32 H new ATOM 0 HD23 LEU A 26 8.879 -3.455 -4.347 1.00 0.32 H new ATOM 446 N ASP A 27 12.093 -5.035 -0.948 1.00 0.27 N ATOM 447 CA ASP A 27 13.465 -5.003 -0.433 1.00 0.33 C ATOM 448 C ASP A 27 13.457 -4.751 1.077 1.00 0.37 C ATOM 449 O ASP A 27 14.498 -4.512 1.689 1.00 0.59 O ATOM 450 CB ASP A 27 14.257 -3.897 -1.155 1.00 0.40 C ATOM 451 CG ASP A 27 15.751 -3.941 -0.897 1.00 0.51 C ATOM 452 OD1 ASP A 27 16.421 -4.861 -1.410 1.00 1.10 O ATOM 453 OD2 ASP A 27 16.268 -3.037 -0.210 1.00 1.37 O ATOM 0 H ASP A 27 11.373 -4.926 -0.233 1.00 0.27 H new ATOM 0 HA ASP A 27 13.942 -5.965 -0.619 1.00 0.33 H new ATOM 0 HB2 ASP A 27 14.081 -3.979 -2.228 1.00 0.40 H new ATOM 0 HB3 ASP A 27 13.873 -2.926 -0.843 1.00 0.40 H new ATOM 458 N ILE A 28 12.278 -4.864 1.683 1.00 0.28 N ATOM 459 CA ILE A 28 12.090 -4.439 3.068 1.00 0.29 C ATOM 460 C ILE A 28 12.642 -5.478 4.036 1.00 0.28 C ATOM 461 O ILE A 28 12.425 -6.677 3.863 1.00 0.29 O ATOM 462 CB ILE A 28 10.597 -4.161 3.410 1.00 0.31 C ATOM 463 CG1 ILE A 28 10.069 -2.900 2.716 1.00 0.33 C ATOM 464 CG2 ILE A 28 10.412 -4.019 4.913 1.00 0.36 C ATOM 465 CD1 ILE A 28 10.040 -2.973 1.213 1.00 0.37 C ATOM 0 H ILE A 28 11.442 -5.244 1.240 1.00 0.28 H new ATOM 0 HA ILE A 28 12.641 -3.505 3.177 1.00 0.29 H new ATOM 0 HB ILE A 28 10.026 -5.015 3.044 1.00 0.31 H new ATOM 0 HG12 ILE A 28 9.060 -2.700 3.076 1.00 0.33 H new ATOM 0 HG13 ILE A 28 10.687 -2.053 3.013 1.00 0.33 H new ATOM 0 HG21 ILE A 28 9.362 -3.825 5.134 1.00 0.36 H new ATOM 0 HG22 ILE A 28 10.722 -4.940 5.406 1.00 0.36 H new ATOM 0 HG23 ILE A 28 11.019 -3.190 5.278 1.00 0.36 H new ATOM 0 HD11 ILE A 28 9.652 -2.037 0.811 1.00 0.37 H new ATOM 0 HD12 ILE A 28 11.050 -3.139 0.837 1.00 0.37 H new ATOM 0 HD13 ILE A 28 9.397 -3.796 0.901 1.00 0.37 H new ATOM 477 N ALA A 29 13.360 -5.012 5.053 1.00 0.31 N ATOM 478 CA ALA A 29 13.901 -5.905 6.060 1.00 0.33 C ATOM 479 C ALA A 29 13.061 -5.862 7.330 1.00 0.34 C ATOM 480 O ALA A 29 12.665 -6.901 7.854 1.00 0.43 O ATOM 481 CB ALA A 29 15.354 -5.565 6.348 1.00 0.34 C ATOM 0 H ALA A 29 13.577 -4.026 5.197 1.00 0.31 H new ATOM 0 HA ALA A 29 13.864 -6.924 5.674 1.00 0.33 H new ATOM 0 HB1 ALA A 29 15.743 -6.245 7.106 1.00 0.34 H new ATOM 0 HB2 ALA A 29 15.939 -5.666 5.434 1.00 0.34 H new ATOM 0 HB3 ALA A 29 15.423 -4.540 6.711 1.00 0.34 H new ATOM 487 N ILE A 30 12.771 -4.662 7.807 1.00 0.29 N ATOM 488 CA ILE A 30 11.942 -4.496 8.994 1.00 0.32 C ATOM 489 C ILE A 30 11.192 -3.169 8.924 1.00 0.34 C ATOM 490 O ILE A 30 10.010 -3.103 9.242 1.00 0.44 O ATOM 491 CB ILE A 30 12.782 -4.616 10.300 1.00 0.34 C ATOM 492 CG1 ILE A 30 11.886 -4.665 11.551 1.00 0.42 C ATOM 493 CG2 ILE A 30 13.808 -3.497 10.410 1.00 0.31 C ATOM 494 CD1 ILE A 30 11.450 -3.315 12.083 1.00 0.39 C ATOM 0 H ILE A 30 13.096 -3.789 7.392 1.00 0.29 H new ATOM 0 HA ILE A 30 11.209 -5.302 9.020 1.00 0.32 H new ATOM 0 HB ILE A 30 13.323 -5.560 10.244 1.00 0.34 H new ATOM 0 HG12 ILE A 30 10.997 -5.251 11.319 1.00 0.42 H new ATOM 0 HG13 ILE A 30 12.420 -5.194 12.341 1.00 0.42 H new ATOM 0 HG21 ILE A 30 14.375 -3.613 11.333 1.00 0.31 H new ATOM 0 HG22 ILE A 30 14.487 -3.541 9.559 1.00 0.31 H new ATOM 0 HG23 ILE A 30 13.297 -2.534 10.417 1.00 0.31 H new ATOM 0 HD11 ILE A 30 10.823 -3.456 12.964 1.00 0.39 H new ATOM 0 HD12 ILE A 30 12.329 -2.729 12.353 1.00 0.39 H new ATOM 0 HD13 ILE A 30 10.884 -2.787 11.316 1.00 0.39 H new ATOM 506 N LYS A 31 11.878 -2.124 8.478 1.00 0.32 N ATOM 507 CA LYS A 31 11.259 -0.819 8.288 1.00 0.37 C ATOM 508 C LYS A 31 11.474 -0.360 6.854 1.00 0.37 C ATOM 509 O LYS A 31 10.553 0.111 6.185 1.00 0.57 O ATOM 510 CB LYS A 31 11.850 0.212 9.255 1.00 0.39 C ATOM 511 CG LYS A 31 11.716 -0.164 10.724 1.00 0.39 C ATOM 512 CD LYS A 31 11.977 1.025 11.632 1.00 0.45 C ATOM 513 CE LYS A 31 10.878 2.068 11.502 1.00 0.46 C ATOM 514 NZ LYS A 31 11.146 3.270 12.331 1.00 0.65 N ATOM 0 H LYS A 31 12.869 -2.156 8.240 1.00 0.32 H new ATOM 0 HA LYS A 31 10.192 -0.907 8.491 1.00 0.37 H new ATOM 0 HB2 LYS A 31 12.906 0.350 9.021 1.00 0.39 H new ATOM 0 HB3 LYS A 31 11.359 1.171 9.091 1.00 0.39 H new ATOM 0 HG2 LYS A 31 10.715 -0.552 10.911 1.00 0.39 H new ATOM 0 HG3 LYS A 31 12.417 -0.964 10.961 1.00 0.39 H new ATOM 0 HD2 LYS A 31 12.042 0.688 12.667 1.00 0.45 H new ATOM 0 HD3 LYS A 31 12.939 1.473 11.382 1.00 0.45 H new ATOM 0 HE2 LYS A 31 10.781 2.363 10.457 1.00 0.46 H new ATOM 0 HE3 LYS A 31 9.926 1.629 11.799 1.00 0.46 H new ATOM 0 HZ1 LYS A 31 10.372 3.954 12.211 1.00 0.65 H new ATOM 0 HZ2 LYS A 31 11.213 2.994 13.331 1.00 0.65 H new ATOM 0 HZ3 LYS A 31 12.042 3.706 12.032 1.00 0.65 H new ATOM 528 N ASP A 32 12.702 -0.538 6.397 1.00 0.24 N ATOM 529 CA ASP A 32 13.121 -0.190 5.044 1.00 0.25 C ATOM 530 C ASP A 32 12.701 1.232 4.630 1.00 0.35 C ATOM 531 O ASP A 32 13.192 2.196 5.210 1.00 0.84 O ATOM 532 CB ASP A 32 12.607 -1.227 4.063 1.00 0.31 C ATOM 533 CG ASP A 32 13.568 -1.445 2.924 1.00 1.17 C ATOM 534 OD1 ASP A 32 14.781 -1.585 3.188 1.00 1.91 O ATOM 535 OD2 ASP A 32 13.124 -1.492 1.768 1.00 1.80 O ATOM 0 H ASP A 32 13.451 -0.935 6.964 1.00 0.24 H new ATOM 0 HA ASP A 32 14.211 -0.192 5.029 1.00 0.25 H new ATOM 0 HB2 ASP A 32 12.442 -2.170 4.584 1.00 0.31 H new ATOM 0 HB3 ASP A 32 11.642 -0.907 3.669 1.00 0.31 H new ATOM 540 N SER A 33 11.740 1.353 3.689 1.00 0.25 N ATOM 541 CA SER A 33 11.374 2.631 3.032 1.00 0.19 C ATOM 542 C SER A 33 10.380 2.330 1.919 1.00 0.19 C ATOM 543 O SER A 33 10.774 1.805 0.885 1.00 0.28 O ATOM 544 CB SER A 33 12.558 3.362 2.358 1.00 0.24 C ATOM 545 OG SER A 33 13.638 3.614 3.235 1.00 0.27 O ATOM 0 H SER A 33 11.190 0.560 3.359 1.00 0.25 H new ATOM 0 HA SER A 33 10.982 3.271 3.822 1.00 0.19 H new ATOM 0 HB2 SER A 33 12.914 2.764 1.519 1.00 0.24 H new ATOM 0 HB3 SER A 33 12.205 4.308 1.948 1.00 0.24 H new ATOM 0 HG SER A 33 13.343 3.491 4.161 1.00 0.27 H new ATOM 551 N ILE A 34 9.114 2.656 2.088 1.00 0.16 N ATOM 552 CA ILE A 34 8.155 2.386 1.025 1.00 0.18 C ATOM 553 C ILE A 34 7.333 3.608 0.701 1.00 0.15 C ATOM 554 O ILE A 34 6.714 4.210 1.569 1.00 0.16 O ATOM 555 CB ILE A 34 7.248 1.189 1.333 1.00 0.26 C ATOM 556 CG1 ILE A 34 6.787 1.216 2.785 1.00 0.46 C ATOM 557 CG2 ILE A 34 7.978 -0.107 1.019 1.00 0.76 C ATOM 558 CD1 ILE A 34 6.045 -0.029 3.178 1.00 0.58 C ATOM 0 H ILE A 34 8.729 3.096 2.924 1.00 0.16 H new ATOM 0 HA ILE A 34 8.743 2.122 0.146 1.00 0.18 H new ATOM 0 HB ILE A 34 6.360 1.251 0.704 1.00 0.26 H new ATOM 0 HG12 ILE A 34 7.653 1.339 3.435 1.00 0.46 H new ATOM 0 HG13 ILE A 34 6.145 2.082 2.942 1.00 0.46 H new ATOM 0 HG21 ILE A 34 7.328 -0.954 1.240 1.00 0.76 H new ATOM 0 HG22 ILE A 34 8.250 -0.125 -0.036 1.00 0.76 H new ATOM 0 HG23 ILE A 34 8.880 -0.173 1.628 1.00 0.76 H new ATOM 0 HD11 ILE A 34 5.740 0.044 4.222 1.00 0.58 H new ATOM 0 HD12 ILE A 34 5.162 -0.140 2.549 1.00 0.58 H new ATOM 0 HD13 ILE A 34 6.694 -0.895 3.049 1.00 0.58 H new ATOM 570 N GLU A 35 7.332 3.956 -0.563 1.00 0.13 N ATOM 571 CA GLU A 35 6.783 5.212 -1.011 1.00 0.13 C ATOM 572 C GLU A 35 5.672 4.954 -2.019 1.00 0.13 C ATOM 573 O GLU A 35 5.822 4.118 -2.916 1.00 0.17 O ATOM 574 CB GLU A 35 7.903 6.039 -1.622 1.00 0.16 C ATOM 575 CG GLU A 35 7.500 7.461 -1.964 1.00 0.23 C ATOM 576 CD GLU A 35 8.625 8.246 -2.595 1.00 0.38 C ATOM 577 OE1 GLU A 35 9.040 7.883 -3.713 1.00 1.13 O ATOM 578 OE2 GLU A 35 9.079 9.236 -1.991 1.00 1.21 O ATOM 0 H GLU A 35 7.712 3.375 -1.311 1.00 0.13 H new ATOM 0 HA GLU A 35 6.353 5.763 -0.175 1.00 0.13 H new ATOM 0 HB2 GLU A 35 8.742 6.067 -0.927 1.00 0.16 H new ATOM 0 HB3 GLU A 35 8.255 5.544 -2.527 1.00 0.16 H new ATOM 0 HG2 GLU A 35 6.649 7.440 -2.645 1.00 0.23 H new ATOM 0 HG3 GLU A 35 7.170 7.969 -1.058 1.00 0.23 H new ATOM 585 N PHE A 36 4.565 5.676 -1.875 1.00 0.13 N ATOM 586 CA PHE A 36 3.353 5.346 -2.612 1.00 0.12 C ATOM 587 C PHE A 36 3.001 6.384 -3.680 1.00 0.14 C ATOM 588 O PHE A 36 3.333 7.570 -3.577 1.00 0.16 O ATOM 589 CB PHE A 36 2.158 5.152 -1.661 1.00 0.15 C ATOM 590 CG PHE A 36 2.536 5.045 -0.212 1.00 0.14 C ATOM 591 CD1 PHE A 36 3.314 3.993 0.243 1.00 1.11 C ATOM 592 CD2 PHE A 36 2.110 5.996 0.695 1.00 1.24 C ATOM 593 CE1 PHE A 36 3.660 3.895 1.572 1.00 1.06 C ATOM 594 CE2 PHE A 36 2.452 5.903 2.028 1.00 1.33 C ATOM 595 CZ PHE A 36 3.230 4.851 2.464 1.00 0.36 C ATOM 0 H PHE A 36 4.483 6.486 -1.260 1.00 0.13 H new ATOM 0 HA PHE A 36 3.563 4.408 -3.125 1.00 0.12 H new ATOM 0 HB2 PHE A 36 1.470 5.988 -1.785 1.00 0.15 H new ATOM 0 HB3 PHE A 36 1.619 4.250 -1.952 1.00 0.15 H new ATOM 0 HD1 PHE A 36 3.653 3.240 -0.453 1.00 1.11 H new ATOM 0 HD2 PHE A 36 1.502 6.822 0.356 1.00 1.24 H new ATOM 0 HE1 PHE A 36 4.267 3.070 1.914 1.00 1.06 H new ATOM 0 HE2 PHE A 36 2.112 6.652 2.728 1.00 1.33 H new ATOM 0 HZ PHE A 36 3.502 4.777 3.507 1.00 0.36 H new ATOM 605 N PHE A 37 2.338 5.890 -4.711 1.00 0.15 N ATOM 606 CA PHE A 37 1.818 6.688 -5.814 1.00 0.17 C ATOM 607 C PHE A 37 0.315 6.512 -5.822 1.00 0.13 C ATOM 608 O PHE A 37 -0.183 5.509 -5.331 1.00 0.11 O ATOM 609 CB PHE A 37 2.415 6.173 -7.136 1.00 0.20 C ATOM 610 CG PHE A 37 2.323 7.131 -8.297 1.00 0.22 C ATOM 611 CD1 PHE A 37 1.163 7.235 -9.050 1.00 1.13 C ATOM 612 CD2 PHE A 37 3.411 7.916 -8.646 1.00 1.25 C ATOM 613 CE1 PHE A 37 1.089 8.104 -10.122 1.00 1.15 C ATOM 614 CE2 PHE A 37 3.343 8.789 -9.716 1.00 1.26 C ATOM 615 CZ PHE A 37 2.181 8.883 -10.455 1.00 0.33 C ATOM 0 H PHE A 37 2.139 4.894 -4.809 1.00 0.15 H new ATOM 0 HA PHE A 37 2.080 7.740 -5.701 1.00 0.17 H new ATOM 0 HB2 PHE A 37 3.464 5.926 -6.971 1.00 0.20 H new ATOM 0 HB3 PHE A 37 1.909 5.247 -7.409 1.00 0.20 H new ATOM 0 HD1 PHE A 37 0.306 6.629 -8.795 1.00 1.13 H new ATOM 0 HD2 PHE A 37 4.324 7.845 -8.074 1.00 1.25 H new ATOM 0 HE1 PHE A 37 0.179 8.174 -10.699 1.00 1.15 H new ATOM 0 HE2 PHE A 37 4.198 9.397 -9.973 1.00 1.26 H new ATOM 0 HZ PHE A 37 2.125 9.564 -11.292 1.00 0.33 H new ATOM 625 N VAL A 38 -0.412 7.475 -6.331 1.00 0.17 N ATOM 626 CA VAL A 38 -1.843 7.299 -6.468 1.00 0.18 C ATOM 627 C VAL A 38 -2.278 7.529 -7.906 1.00 0.21 C ATOM 628 O VAL A 38 -2.073 8.594 -8.485 1.00 0.25 O ATOM 629 CB VAL A 38 -2.639 8.187 -5.486 1.00 0.22 C ATOM 630 CG1 VAL A 38 -2.313 9.662 -5.648 1.00 0.26 C ATOM 631 CG2 VAL A 38 -4.134 7.947 -5.633 1.00 0.25 C ATOM 0 H VAL A 38 -0.050 8.373 -6.653 1.00 0.17 H new ATOM 0 HA VAL A 38 -2.070 6.266 -6.205 1.00 0.18 H new ATOM 0 HB VAL A 38 -2.335 7.901 -4.479 1.00 0.22 H new ATOM 0 HG11 VAL A 38 -2.898 10.244 -4.936 1.00 0.26 H new ATOM 0 HG12 VAL A 38 -1.251 9.822 -5.463 1.00 0.26 H new ATOM 0 HG13 VAL A 38 -2.556 9.979 -6.662 1.00 0.26 H new ATOM 0 HG21 VAL A 38 -4.675 8.583 -4.932 1.00 0.25 H new ATOM 0 HG22 VAL A 38 -4.442 8.185 -6.651 1.00 0.25 H new ATOM 0 HG23 VAL A 38 -4.357 6.901 -5.421 1.00 0.25 H new ATOM 641 N ASP A 39 -2.852 6.492 -8.477 1.00 0.24 N ATOM 642 CA ASP A 39 -3.268 6.500 -9.867 1.00 0.30 C ATOM 643 C ASP A 39 -4.783 6.516 -9.946 1.00 0.32 C ATOM 644 O ASP A 39 -5.416 5.465 -9.889 1.00 0.29 O ATOM 645 CB ASP A 39 -2.729 5.258 -10.579 1.00 0.30 C ATOM 646 CG ASP A 39 -3.017 5.251 -12.069 1.00 0.44 C ATOM 647 OD1 ASP A 39 -4.159 4.948 -12.463 1.00 1.12 O ATOM 648 OD2 ASP A 39 -2.087 5.511 -12.857 1.00 1.27 O ATOM 0 H ASP A 39 -3.045 5.616 -7.991 1.00 0.24 H new ATOM 0 HA ASP A 39 -2.871 7.391 -10.353 1.00 0.30 H new ATOM 0 HB2 ASP A 39 -1.652 5.197 -10.423 1.00 0.30 H new ATOM 0 HB3 ASP A 39 -3.168 4.369 -10.127 1.00 0.30 H new ATOM 653 N GLY A 40 -5.351 7.710 -10.055 1.00 0.40 N ATOM 654 CA GLY A 40 -6.797 7.861 -10.099 1.00 0.45 C ATOM 655 C GLY A 40 -7.484 7.313 -8.856 1.00 0.39 C ATOM 656 O GLY A 40 -7.732 8.045 -7.896 1.00 0.43 O ATOM 0 H GLY A 40 -4.832 8.586 -10.114 1.00 0.40 H new ATOM 0 HA2 GLY A 40 -7.045 8.917 -10.210 1.00 0.45 H new ATOM 0 HA3 GLY A 40 -7.185 7.348 -10.979 1.00 0.45 H new ATOM 660 N ASP A 41 -7.758 6.015 -8.874 1.00 0.33 N ATOM 661 CA ASP A 41 -8.443 5.337 -7.781 1.00 0.29 C ATOM 662 C ASP A 41 -7.617 4.139 -7.350 1.00 0.21 C ATOM 663 O ASP A 41 -8.144 3.136 -6.874 1.00 0.25 O ATOM 664 CB ASP A 41 -9.824 4.848 -8.216 1.00 0.35 C ATOM 665 CG ASP A 41 -10.729 5.963 -8.693 1.00 0.98 C ATOM 666 OD1 ASP A 41 -10.703 6.280 -9.899 1.00 1.74 O ATOM 667 OD2 ASP A 41 -11.488 6.515 -7.873 1.00 1.72 O ATOM 0 H ASP A 41 -7.511 5.401 -9.650 1.00 0.33 H new ATOM 0 HA ASP A 41 -8.564 6.042 -6.959 1.00 0.29 H new ATOM 0 HB2 ASP A 41 -9.708 4.116 -9.015 1.00 0.35 H new ATOM 0 HB3 ASP A 41 -10.300 4.335 -7.381 1.00 0.35 H new ATOM 672 N LYS A 42 -6.322 4.244 -7.561 1.00 0.18 N ATOM 673 CA LYS A 42 -5.396 3.173 -7.242 1.00 0.14 C ATOM 674 C LYS A 42 -4.192 3.708 -6.477 1.00 0.12 C ATOM 675 O LYS A 42 -3.856 4.883 -6.577 1.00 0.14 O ATOM 676 CB LYS A 42 -4.952 2.501 -8.543 1.00 0.12 C ATOM 677 CG LYS A 42 -3.529 1.967 -8.535 1.00 0.18 C ATOM 678 CD LYS A 42 -3.168 1.304 -9.854 1.00 0.40 C ATOM 679 CE LYS A 42 -3.741 2.065 -11.041 1.00 0.53 C ATOM 680 NZ LYS A 42 -3.064 1.715 -12.316 1.00 0.41 N ATOM 0 H LYS A 42 -5.880 5.073 -7.958 1.00 0.18 H new ATOM 0 HA LYS A 42 -5.893 2.443 -6.604 1.00 0.14 H new ATOM 0 HB2 LYS A 42 -5.632 1.677 -8.760 1.00 0.12 H new ATOM 0 HB3 LYS A 42 -5.051 3.219 -9.357 1.00 0.12 H new ATOM 0 HG2 LYS A 42 -2.835 2.784 -8.337 1.00 0.18 H new ATOM 0 HG3 LYS A 42 -3.415 1.248 -7.724 1.00 0.18 H new ATOM 0 HD2 LYS A 42 -2.084 1.246 -9.948 1.00 0.40 H new ATOM 0 HD3 LYS A 42 -3.544 0.281 -9.862 1.00 0.40 H new ATOM 0 HE2 LYS A 42 -4.806 1.850 -11.127 1.00 0.53 H new ATOM 0 HE3 LYS A 42 -3.645 3.136 -10.863 1.00 0.53 H new ATOM 0 HZ1 LYS A 42 -3.488 2.258 -13.095 1.00 0.41 H new ATOM 0 HZ2 LYS A 42 -2.052 1.944 -12.246 1.00 0.41 H new ATOM 0 HZ3 LYS A 42 -3.177 0.698 -12.501 1.00 0.41 H new ATOM 694 N ILE A 43 -3.547 2.837 -5.717 1.00 0.10 N ATOM 695 CA ILE A 43 -2.348 3.196 -4.985 1.00 0.09 C ATOM 696 C ILE A 43 -1.197 2.299 -5.423 1.00 0.08 C ATOM 697 O ILE A 43 -1.403 1.134 -5.747 1.00 0.10 O ATOM 698 CB ILE A 43 -2.590 3.075 -3.468 1.00 0.10 C ATOM 699 CG1 ILE A 43 -3.577 4.163 -3.017 1.00 0.10 C ATOM 700 CG2 ILE A 43 -1.286 3.134 -2.682 1.00 0.12 C ATOM 701 CD1 ILE A 43 -2.945 5.341 -2.288 1.00 0.15 C ATOM 0 H ILE A 43 -3.839 1.868 -5.592 1.00 0.10 H new ATOM 0 HA ILE A 43 -2.089 4.232 -5.203 1.00 0.09 H new ATOM 0 HB ILE A 43 -3.028 2.099 -3.261 1.00 0.10 H new ATOM 0 HG12 ILE A 43 -4.106 4.538 -3.893 1.00 0.10 H new ATOM 0 HG13 ILE A 43 -4.323 3.709 -2.365 1.00 0.10 H new ATOM 0 HG21 ILE A 43 -1.499 3.045 -1.617 1.00 0.12 H new ATOM 0 HG22 ILE A 43 -0.637 2.315 -2.992 1.00 0.12 H new ATOM 0 HG23 ILE A 43 -0.788 4.084 -2.875 1.00 0.12 H new ATOM 0 HD11 ILE A 43 -3.720 6.055 -2.010 1.00 0.15 H new ATOM 0 HD12 ILE A 43 -2.441 4.985 -1.390 1.00 0.15 H new ATOM 0 HD13 ILE A 43 -2.221 5.827 -2.942 1.00 0.15 H new ATOM 713 N ILE A 44 -0.006 2.862 -5.462 1.00 0.08 N ATOM 714 CA ILE A 44 1.182 2.157 -5.910 1.00 0.09 C ATOM 715 C ILE A 44 2.228 2.208 -4.810 1.00 0.11 C ATOM 716 O ILE A 44 2.383 3.243 -4.181 1.00 0.19 O ATOM 717 CB ILE A 44 1.772 2.830 -7.171 1.00 0.14 C ATOM 718 CG1 ILE A 44 0.651 3.207 -8.144 1.00 0.19 C ATOM 719 CG2 ILE A 44 2.780 1.912 -7.839 1.00 0.19 C ATOM 720 CD1 ILE A 44 1.125 3.873 -9.415 1.00 0.22 C ATOM 0 H ILE A 44 0.168 3.827 -5.182 1.00 0.08 H new ATOM 0 HA ILE A 44 0.910 1.128 -6.144 1.00 0.09 H new ATOM 0 HB ILE A 44 2.289 3.742 -6.872 1.00 0.14 H new ATOM 0 HG12 ILE A 44 0.095 2.306 -8.406 1.00 0.19 H new ATOM 0 HG13 ILE A 44 -0.045 3.875 -7.636 1.00 0.19 H new ATOM 0 HG21 ILE A 44 3.186 2.401 -8.725 1.00 0.19 H new ATOM 0 HG22 ILE A 44 3.589 1.692 -7.143 1.00 0.19 H new ATOM 0 HG23 ILE A 44 2.289 0.983 -8.130 1.00 0.19 H new ATOM 0 HD11 ILE A 44 0.267 4.106 -10.046 1.00 0.22 H new ATOM 0 HD12 ILE A 44 1.654 4.793 -9.168 1.00 0.22 H new ATOM 0 HD13 ILE A 44 1.796 3.201 -9.949 1.00 0.22 H new ATOM 732 N LEU A 45 2.946 1.126 -4.564 1.00 0.09 N ATOM 733 CA LEU A 45 3.998 1.149 -3.557 1.00 0.10 C ATOM 734 C LEU A 45 5.304 0.655 -4.134 1.00 0.12 C ATOM 735 O LEU A 45 5.331 -0.319 -4.886 1.00 0.16 O ATOM 736 CB LEU A 45 3.645 0.304 -2.332 1.00 0.11 C ATOM 737 CG LEU A 45 2.945 1.046 -1.196 1.00 0.14 C ATOM 738 CD1 LEU A 45 1.467 1.227 -1.488 1.00 0.17 C ATOM 739 CD2 LEU A 45 3.152 0.312 0.116 1.00 0.23 C ATOM 0 H LEU A 45 2.825 0.231 -5.039 1.00 0.09 H new ATOM 0 HA LEU A 45 4.101 2.187 -3.241 1.00 0.10 H new ATOM 0 HB2 LEU A 45 3.006 -0.518 -2.653 1.00 0.11 H new ATOM 0 HB3 LEU A 45 4.562 -0.138 -1.942 1.00 0.11 H new ATOM 0 HG LEU A 45 3.388 2.039 -1.112 1.00 0.14 H new ATOM 0 HD11 LEU A 45 0.995 1.758 -0.661 1.00 0.17 H new ATOM 0 HD12 LEU A 45 1.345 1.802 -2.406 1.00 0.17 H new ATOM 0 HD13 LEU A 45 0.997 0.251 -1.607 1.00 0.17 H new ATOM 0 HD21 LEU A 45 2.648 0.851 0.918 1.00 0.23 H new ATOM 0 HD22 LEU A 45 2.739 -0.694 0.039 1.00 0.23 H new ATOM 0 HD23 LEU A 45 4.218 0.251 0.334 1.00 0.23 H new ATOM 751 N LYS A 46 6.378 1.348 -3.795 1.00 0.15 N ATOM 752 CA LYS A 46 7.716 0.924 -4.163 1.00 0.24 C ATOM 753 C LYS A 46 8.730 1.531 -3.212 1.00 0.25 C ATOM 754 O LYS A 46 8.520 2.628 -2.691 1.00 0.41 O ATOM 755 CB LYS A 46 8.038 1.303 -5.613 1.00 0.45 C ATOM 756 CG LYS A 46 7.556 2.690 -6.012 1.00 0.81 C ATOM 757 CD LYS A 46 7.971 3.030 -7.431 1.00 1.10 C ATOM 758 CE LYS A 46 9.428 3.450 -7.496 1.00 1.19 C ATOM 759 NZ LYS A 46 9.977 3.314 -8.868 1.00 1.52 N ATOM 0 H LYS A 46 6.347 2.216 -3.260 1.00 0.15 H new ATOM 0 HA LYS A 46 7.766 -0.162 -4.087 1.00 0.24 H new ATOM 0 HB2 LYS A 46 9.116 1.248 -5.761 1.00 0.45 H new ATOM 0 HB3 LYS A 46 7.587 0.567 -6.279 1.00 0.45 H new ATOM 0 HG2 LYS A 46 6.470 2.739 -5.927 1.00 0.81 H new ATOM 0 HG3 LYS A 46 7.963 3.431 -5.324 1.00 0.81 H new ATOM 0 HD2 LYS A 46 7.811 2.166 -8.076 1.00 1.10 H new ATOM 0 HD3 LYS A 46 7.342 3.834 -7.813 1.00 1.10 H new ATOM 0 HE2 LYS A 46 9.524 4.485 -7.167 1.00 1.19 H new ATOM 0 HE3 LYS A 46 10.014 2.841 -6.808 1.00 1.19 H new ATOM 0 HZ1 LYS A 46 10.934 2.910 -8.820 1.00 1.52 H new ATOM 0 HZ2 LYS A 46 9.364 2.687 -9.427 1.00 1.52 H new ATOM 0 HZ3 LYS A 46 10.018 4.250 -9.320 1.00 1.52 H new ATOM 773 N LYS A 47 9.812 0.803 -2.979 1.00 0.23 N ATOM 774 CA LYS A 47 10.855 1.233 -2.054 1.00 0.25 C ATOM 775 C LYS A 47 11.489 2.534 -2.542 1.00 0.27 C ATOM 776 O LYS A 47 11.518 2.806 -3.741 1.00 0.39 O ATOM 777 CB LYS A 47 11.899 0.118 -1.905 1.00 0.33 C ATOM 778 CG LYS A 47 12.670 0.156 -0.593 1.00 0.40 C ATOM 779 CD LYS A 47 13.900 1.045 -0.667 1.00 0.44 C ATOM 780 CE LYS A 47 14.791 0.900 0.557 1.00 0.77 C ATOM 781 NZ LYS A 47 15.353 -0.469 0.675 1.00 0.53 N ATOM 0 H LYS A 47 9.993 -0.098 -3.422 1.00 0.23 H new ATOM 0 HA LYS A 47 10.420 1.427 -1.074 1.00 0.25 H new ATOM 0 HB2 LYS A 47 11.399 -0.847 -1.992 1.00 0.33 H new ATOM 0 HB3 LYS A 47 12.607 0.185 -2.731 1.00 0.33 H new ATOM 0 HG2 LYS A 47 12.014 0.514 0.200 1.00 0.40 H new ATOM 0 HG3 LYS A 47 12.973 -0.856 -0.324 1.00 0.40 H new ATOM 0 HD2 LYS A 47 14.472 0.797 -1.561 1.00 0.44 H new ATOM 0 HD3 LYS A 47 13.589 2.085 -0.766 1.00 0.44 H new ATOM 0 HE2 LYS A 47 15.605 1.623 0.501 1.00 0.77 H new ATOM 0 HE3 LYS A 47 14.217 1.135 1.453 1.00 0.77 H new ATOM 0 HZ1 LYS A 47 15.954 -0.526 1.522 1.00 0.53 H new ATOM 0 HZ2 LYS A 47 14.577 -1.157 0.754 1.00 0.53 H new ATOM 0 HZ3 LYS A 47 15.922 -0.685 -0.168 1.00 0.53 H new ATOM 795 N TYR A 48 11.990 3.335 -1.606 1.00 0.23 N ATOM 796 CA TYR A 48 12.490 4.666 -1.932 1.00 0.29 C ATOM 797 C TYR A 48 13.808 4.598 -2.693 1.00 0.38 C ATOM 798 O TYR A 48 13.953 5.184 -3.765 1.00 0.41 O ATOM 799 CB TYR A 48 12.691 5.477 -0.652 1.00 0.36 C ATOM 800 CG TYR A 48 13.249 6.862 -0.903 1.00 0.53 C ATOM 801 CD1 TYR A 48 12.437 7.888 -1.372 1.00 1.37 C ATOM 802 CD2 TYR A 48 14.595 7.139 -0.685 1.00 1.15 C ATOM 803 CE1 TYR A 48 12.952 9.148 -1.617 1.00 1.49 C ATOM 804 CE2 TYR A 48 15.112 8.395 -0.925 1.00 1.26 C ATOM 805 CZ TYR A 48 14.289 9.395 -1.393 1.00 0.93 C ATOM 806 OH TYR A 48 14.807 10.647 -1.640 1.00 1.14 O ATOM 0 H TYR A 48 12.060 3.086 -0.619 1.00 0.23 H new ATOM 0 HA TYR A 48 11.749 5.150 -2.568 1.00 0.29 H new ATOM 0 HB2 TYR A 48 11.737 5.566 -0.133 1.00 0.36 H new ATOM 0 HB3 TYR A 48 13.366 4.935 0.011 1.00 0.36 H new ATOM 0 HD1 TYR A 48 11.388 7.698 -1.548 1.00 1.37 H new ATOM 0 HD2 TYR A 48 15.246 6.357 -0.322 1.00 1.15 H new ATOM 0 HE1 TYR A 48 12.309 9.935 -1.982 1.00 1.49 H new ATOM 0 HE2 TYR A 48 16.158 8.593 -0.747 1.00 1.26 H new ATOM 0 HH TYR A 48 15.764 10.653 -1.429 1.00 1.14 H new ATOM 816 N LYS A 49 14.765 3.890 -2.105 1.00 0.45 N ATOM 817 CA LYS A 49 16.136 3.843 -2.610 1.00 0.63 C ATOM 818 C LYS A 49 16.219 3.461 -4.099 1.00 0.71 C ATOM 819 O LYS A 49 16.964 4.090 -4.844 1.00 0.82 O ATOM 820 CB LYS A 49 16.993 2.902 -1.760 1.00 0.70 C ATOM 821 CG LYS A 49 18.469 3.261 -1.799 1.00 0.99 C ATOM 822 CD LYS A 49 18.692 4.669 -1.270 1.00 1.63 C ATOM 823 CE LYS A 49 20.108 5.154 -1.524 1.00 2.21 C ATOM 824 NZ LYS A 49 20.333 6.513 -0.968 1.00 3.15 N ATOM 0 H LYS A 49 14.615 3.332 -1.265 1.00 0.45 H new ATOM 0 HA LYS A 49 16.531 4.856 -2.529 1.00 0.63 H new ATOM 0 HB2 LYS A 49 16.643 2.930 -0.728 1.00 0.70 H new ATOM 0 HB3 LYS A 49 16.862 1.879 -2.113 1.00 0.70 H new ATOM 0 HG2 LYS A 49 19.038 2.548 -1.202 1.00 0.99 H new ATOM 0 HG3 LYS A 49 18.840 3.188 -2.821 1.00 0.99 H new ATOM 0 HD2 LYS A 49 17.985 5.350 -1.743 1.00 1.63 H new ATOM 0 HD3 LYS A 49 18.488 4.691 -0.200 1.00 1.63 H new ATOM 0 HE2 LYS A 49 20.817 4.457 -1.078 1.00 2.21 H new ATOM 0 HE3 LYS A 49 20.302 5.163 -2.596 1.00 2.21 H new ATOM 0 HZ1 LYS A 49 21.311 6.810 -1.161 1.00 3.15 H new ATOM 0 HZ2 LYS A 49 19.674 7.183 -1.412 1.00 3.15 H new ATOM 0 HZ3 LYS A 49 20.172 6.499 0.059 1.00 3.15 H new ATOM 838 N PRO A 50 15.514 2.409 -4.562 1.00 0.73 N ATOM 839 CA PRO A 50 15.370 2.148 -5.998 1.00 0.90 C ATOM 840 C PRO A 50 14.496 3.212 -6.658 1.00 1.00 C ATOM 841 O PRO A 50 13.270 3.082 -6.720 1.00 1.56 O ATOM 842 CB PRO A 50 14.696 0.767 -6.063 1.00 0.99 C ATOM 843 CG PRO A 50 14.849 0.194 -4.694 1.00 0.85 C ATOM 844 CD PRO A 50 14.855 1.369 -3.764 1.00 0.65 C ATOM 0 HA PRO A 50 16.324 2.172 -6.525 1.00 0.90 H new ATOM 0 HB2 PRO A 50 13.645 0.854 -6.339 1.00 0.99 H new ATOM 0 HB3 PRO A 50 15.170 0.132 -6.811 1.00 0.99 H new ATOM 0 HG2 PRO A 50 14.030 -0.487 -4.460 1.00 0.85 H new ATOM 0 HG3 PRO A 50 15.773 -0.378 -4.609 1.00 0.85 H new ATOM 0 HD2 PRO A 50 13.846 1.660 -3.473 1.00 0.65 H new ATOM 0 HD3 PRO A 50 15.402 1.156 -2.846 1.00 0.65 H new ATOM 852 N HIS A 51 15.130 4.278 -7.123 1.00 1.42 N ATOM 853 CA HIS A 51 14.405 5.417 -7.671 1.00 1.56 C ATOM 854 C HIS A 51 14.892 5.747 -9.081 1.00 1.82 C ATOM 855 O HIS A 51 15.652 4.987 -9.682 1.00 2.35 O ATOM 856 CB HIS A 51 14.529 6.646 -6.748 1.00 2.08 C ATOM 857 CG HIS A 51 15.915 7.216 -6.633 1.00 3.08 C ATOM 858 ND1 HIS A 51 17.080 6.647 -6.244 1.00 3.93 N flip ATOM 859 CD2 HIS A 51 16.213 8.533 -6.911 1.00 3.73 C flip ATOM 860 CE1 HIS A 51 18.045 7.617 -6.295 1.00 4.77 C flip ATOM 861 NE2 HIS A 51 17.500 8.745 -6.703 1.00 4.67 N flip ATOM 0 H HIS A 51 16.145 4.379 -7.132 1.00 1.42 H new ATOM 0 HA HIS A 51 13.351 5.145 -7.732 1.00 1.56 H new ATOM 0 HB2 HIS A 51 13.861 7.426 -7.114 1.00 2.08 H new ATOM 0 HB3 HIS A 51 14.182 6.370 -5.752 1.00 2.08 H new ATOM 0 HD1 HIS A 51 17.214 5.675 -5.965 1.00 3.93 H new ATOM 0 HD2 HIS A 51 15.504 9.276 -7.247 1.00 3.73 H new ATOM 0 HE1 HIS A 51 19.086 7.480 -6.041 1.00 4.77 H new ATOM 870 N GLY A 52 14.452 6.881 -9.592 1.00 2.13 N ATOM 871 CA GLY A 52 14.717 7.245 -10.965 1.00 2.84 C ATOM 872 C GLY A 52 13.450 7.741 -11.600 1.00 2.91 C ATOM 873 O GLY A 52 13.275 8.939 -11.827 1.00 3.15 O ATOM 0 H GLY A 52 13.907 7.568 -9.071 1.00 2.13 H new ATOM 0 HA2 GLY A 52 15.485 8.017 -11.007 1.00 2.84 H new ATOM 0 HA3 GLY A 52 15.100 6.385 -11.514 1.00 2.84 H new ATOM 877 N VAL A 53 12.552 6.812 -11.866 1.00 3.09 N ATOM 878 CA VAL A 53 11.182 7.166 -12.171 1.00 3.28 C ATOM 879 C VAL A 53 10.320 6.960 -10.936 1.00 2.62 C ATOM 880 O VAL A 53 10.216 5.850 -10.401 1.00 2.42 O ATOM 881 CB VAL A 53 10.591 6.399 -13.373 1.00 4.14 C ATOM 882 CG1 VAL A 53 10.752 4.894 -13.218 1.00 4.29 C ATOM 883 CG2 VAL A 53 9.127 6.775 -13.530 1.00 4.59 C ATOM 0 H VAL A 53 12.747 5.811 -11.877 1.00 3.09 H new ATOM 0 HA VAL A 53 11.186 8.216 -12.464 1.00 3.28 H new ATOM 0 HB VAL A 53 11.140 6.682 -14.271 1.00 4.14 H new ATOM 0 HG11 VAL A 53 10.323 4.391 -14.085 1.00 4.29 H new ATOM 0 HG12 VAL A 53 11.811 4.647 -13.142 1.00 4.29 H new ATOM 0 HG13 VAL A 53 10.237 4.564 -12.316 1.00 4.29 H new ATOM 0 HG21 VAL A 53 8.702 6.237 -14.377 1.00 4.59 H new ATOM 0 HG22 VAL A 53 8.584 6.510 -12.623 1.00 4.59 H new ATOM 0 HG23 VAL A 53 9.043 7.848 -13.703 1.00 4.59 H new ATOM 893 N CYS A 54 9.705 8.046 -10.504 1.00 2.51 N ATOM 894 CA CYS A 54 8.995 8.114 -9.233 1.00 1.97 C ATOM 895 C CYS A 54 8.643 9.560 -8.938 1.00 1.82 C ATOM 896 O CYS A 54 7.587 10.014 -9.404 1.00 2.05 O ATOM 897 CB CYS A 54 9.844 7.529 -8.090 1.00 2.32 C ATOM 898 SG CYS A 54 11.569 8.076 -8.073 1.00 3.01 S ATOM 899 OXT CYS A 54 9.432 10.246 -8.260 1.00 2.32 O ATOM 0 H CYS A 54 9.682 8.919 -11.031 1.00 2.51 H new ATOM 0 HA CYS A 54 8.084 7.520 -9.306 1.00 1.97 H new ATOM 0 HB2 CYS A 54 9.383 7.797 -7.139 1.00 2.32 H new ATOM 0 HB3 CYS A 54 9.823 6.441 -8.160 1.00 2.32 H new ATOM 0 HG CYS A 54 11.612 9.375 -8.085 1.00 3.01 H new TER 905 CYS A 54 ATOM 906 N MET B 1 9.357 12.590 -7.202 1.00 2.50 N ATOM 907 CA MET B 1 8.633 12.813 -5.930 1.00 2.21 C ATOM 908 C MET B 1 7.248 12.169 -5.952 1.00 1.71 C ATOM 909 O MET B 1 6.422 12.455 -5.092 1.00 2.31 O ATOM 910 CB MET B 1 8.518 14.312 -5.621 1.00 2.56 C ATOM 911 CG MET B 1 8.050 15.166 -6.794 1.00 3.07 C ATOM 912 SD MET B 1 9.333 15.376 -8.048 1.00 3.74 S ATOM 913 CE MET B 1 8.478 16.407 -9.236 1.00 4.38 C ATOM 0 H1 MET B 1 10.378 12.710 -7.046 1.00 2.50 H new ATOM 0 H2 MET B 1 9.170 11.626 -7.543 1.00 2.50 H new ATOM 0 H3 MET B 1 9.032 13.278 -7.911 1.00 2.50 H new ATOM 0 HA MET B 1 9.213 12.337 -5.139 1.00 2.21 H new ATOM 0 HB2 MET B 1 7.825 14.447 -4.791 1.00 2.56 H new ATOM 0 HB3 MET B 1 9.489 14.677 -5.287 1.00 2.56 H new ATOM 0 HG2 MET B 1 7.173 14.705 -7.249 1.00 3.07 H new ATOM 0 HG3 MET B 1 7.741 16.145 -6.427 1.00 3.07 H new ATOM 0 HE1 MET B 1 9.142 16.625 -10.073 1.00 4.38 H new ATOM 0 HE2 MET B 1 7.593 15.885 -9.601 1.00 4.38 H new ATOM 0 HE3 MET B 1 8.178 17.340 -8.759 1.00 4.38 H new ATOM 925 N LYS B 2 7.002 11.304 -6.941 1.00 1.10 N ATOM 926 CA LYS B 2 5.775 10.503 -7.012 1.00 0.64 C ATOM 927 C LYS B 2 4.514 11.366 -7.038 1.00 0.56 C ATOM 928 O LYS B 2 4.570 12.582 -7.218 1.00 1.00 O ATOM 929 CB LYS B 2 5.718 9.522 -5.833 1.00 0.80 C ATOM 930 CG LYS B 2 6.853 8.508 -5.825 1.00 0.68 C ATOM 931 CD LYS B 2 6.436 7.168 -6.413 1.00 0.88 C ATOM 932 CE LYS B 2 6.552 6.056 -5.386 1.00 1.04 C ATOM 933 NZ LYS B 2 7.955 5.869 -4.920 1.00 1.73 N ATOM 0 H LYS B 2 7.647 11.139 -7.714 1.00 1.10 H new ATOM 0 HA LYS B 2 5.805 9.950 -7.951 1.00 0.64 H new ATOM 0 HB2 LYS B 2 5.740 10.086 -4.901 1.00 0.80 H new ATOM 0 HB3 LYS B 2 4.767 8.990 -5.860 1.00 0.80 H new ATOM 0 HG2 LYS B 2 7.695 8.905 -6.392 1.00 0.68 H new ATOM 0 HG3 LYS B 2 7.199 8.361 -4.802 1.00 0.68 H new ATOM 0 HD2 LYS B 2 5.408 7.229 -6.771 1.00 0.88 H new ATOM 0 HD3 LYS B 2 7.061 6.936 -7.275 1.00 0.88 H new ATOM 0 HE2 LYS B 2 5.914 6.283 -4.532 1.00 1.04 H new ATOM 0 HE3 LYS B 2 6.186 5.124 -5.818 1.00 1.04 H new ATOM 0 HZ1 LYS B 2 8.023 4.990 -4.368 1.00 1.73 H new ATOM 0 HZ2 LYS B 2 8.589 5.812 -5.742 1.00 1.73 H new ATOM 0 HZ3 LYS B 2 8.233 6.674 -4.324 1.00 1.73 H new ATOM 947 N SER B 3 3.376 10.708 -6.875 1.00 0.56 N ATOM 948 CA SER B 3 2.087 11.378 -6.848 1.00 0.42 C ATOM 949 C SER B 3 1.778 11.856 -5.434 1.00 0.34 C ATOM 950 O SER B 3 1.397 13.004 -5.223 1.00 0.45 O ATOM 951 CB SER B 3 1.005 10.417 -7.339 1.00 0.50 C ATOM 952 OG SER B 3 -0.257 11.046 -7.413 1.00 0.75 O ATOM 0 H SER B 3 3.321 9.696 -6.758 1.00 0.56 H new ATOM 0 HA SER B 3 2.113 12.247 -7.506 1.00 0.42 H new ATOM 0 HB2 SER B 3 1.278 10.033 -8.322 1.00 0.50 H new ATOM 0 HB3 SER B 3 0.946 9.561 -6.667 1.00 0.50 H new ATOM 0 HG SER B 3 -0.842 10.536 -8.012 1.00 0.75 H new ATOM 958 N ILE B 4 1.951 10.965 -4.466 1.00 0.30 N ATOM 959 CA ILE B 4 1.751 11.314 -3.069 1.00 0.28 C ATOM 960 C ILE B 4 3.071 11.791 -2.480 1.00 0.31 C ATOM 961 O ILE B 4 3.109 12.694 -1.644 1.00 0.37 O ATOM 962 CB ILE B 4 1.239 10.110 -2.255 1.00 0.25 C ATOM 963 CG1 ILE B 4 0.279 9.270 -3.099 1.00 0.26 C ATOM 964 CG2 ILE B 4 0.543 10.591 -0.989 1.00 0.28 C ATOM 965 CD1 ILE B 4 -0.165 7.991 -2.424 1.00 0.28 C ATOM 0 H ILE B 4 2.229 9.997 -4.624 1.00 0.30 H new ATOM 0 HA ILE B 4 1.001 12.103 -3.018 1.00 0.28 H new ATOM 0 HB ILE B 4 2.090 9.490 -1.974 1.00 0.25 H new ATOM 0 HG12 ILE B 4 -0.600 9.869 -3.337 1.00 0.26 H new ATOM 0 HG13 ILE B 4 0.762 9.023 -4.044 1.00 0.26 H new ATOM 0 HG21 ILE B 4 0.185 9.732 -0.422 1.00 0.28 H new ATOM 0 HG22 ILE B 4 1.246 11.160 -0.381 1.00 0.28 H new ATOM 0 HG23 ILE B 4 -0.301 11.226 -1.257 1.00 0.28 H new ATOM 0 HD11 ILE B 4 -0.844 7.449 -3.082 1.00 0.28 H new ATOM 0 HD12 ILE B 4 0.706 7.371 -2.210 1.00 0.28 H new ATOM 0 HD13 ILE B 4 -0.677 8.230 -1.492 1.00 0.28 H new ATOM 977 N GLY B 5 4.146 11.161 -2.942 1.00 0.33 N ATOM 978 CA GLY B 5 5.489 11.548 -2.544 1.00 0.38 C ATOM 979 C GLY B 5 5.782 11.269 -1.089 1.00 0.34 C ATOM 980 O GLY B 5 6.639 11.914 -0.486 1.00 0.46 O ATOM 0 H GLY B 5 4.110 10.378 -3.595 1.00 0.33 H new ATOM 0 HA2 GLY B 5 6.212 11.015 -3.162 1.00 0.38 H new ATOM 0 HA3 GLY B 5 5.626 12.612 -2.738 1.00 0.38 H new ATOM 984 N VAL B 6 5.081 10.303 -0.525 1.00 0.24 N ATOM 985 CA VAL B 6 5.275 9.955 0.871 1.00 0.22 C ATOM 986 C VAL B 6 5.847 8.551 1.008 1.00 0.21 C ATOM 987 O VAL B 6 5.419 7.619 0.322 1.00 0.25 O ATOM 988 CB VAL B 6 3.968 10.068 1.690 1.00 0.22 C ATOM 989 CG1 VAL B 6 3.504 11.513 1.771 1.00 0.26 C ATOM 990 CG2 VAL B 6 2.874 9.201 1.095 1.00 0.20 C ATOM 0 H VAL B 6 4.375 9.748 -1.009 1.00 0.24 H new ATOM 0 HA VAL B 6 5.987 10.675 1.275 1.00 0.22 H new ATOM 0 HB VAL B 6 4.178 9.712 2.699 1.00 0.22 H new ATOM 0 HG11 VAL B 6 2.583 11.567 2.352 1.00 0.26 H new ATOM 0 HG12 VAL B 6 4.273 12.116 2.253 1.00 0.26 H new ATOM 0 HG13 VAL B 6 3.322 11.894 0.766 1.00 0.26 H new ATOM 0 HG21 VAL B 6 1.967 9.300 1.691 1.00 0.20 H new ATOM 0 HG22 VAL B 6 2.673 9.520 0.072 1.00 0.20 H new ATOM 0 HG23 VAL B 6 3.195 8.159 1.094 1.00 0.20 H new ATOM 1000 N VAL B 7 6.807 8.416 1.903 1.00 0.18 N ATOM 1001 CA VAL B 7 7.480 7.150 2.128 1.00 0.16 C ATOM 1002 C VAL B 7 7.322 6.742 3.585 1.00 0.18 C ATOM 1003 O VAL B 7 7.387 7.584 4.485 1.00 0.23 O ATOM 1004 CB VAL B 7 8.979 7.217 1.737 1.00 0.17 C ATOM 1005 CG1 VAL B 7 9.740 8.217 2.597 1.00 0.20 C ATOM 1006 CG2 VAL B 7 9.621 5.839 1.806 1.00 0.19 C ATOM 0 H VAL B 7 7.142 9.178 2.493 1.00 0.18 H new ATOM 0 HA VAL B 7 7.017 6.398 1.489 1.00 0.16 H new ATOM 0 HB VAL B 7 9.033 7.566 0.706 1.00 0.17 H new ATOM 0 HG11 VAL B 7 10.787 8.236 2.293 1.00 0.20 H new ATOM 0 HG12 VAL B 7 9.307 9.209 2.470 1.00 0.20 H new ATOM 0 HG13 VAL B 7 9.671 7.923 3.644 1.00 0.20 H new ATOM 0 HG21 VAL B 7 10.672 5.913 1.527 1.00 0.19 H new ATOM 0 HG22 VAL B 7 9.541 5.451 2.821 1.00 0.19 H new ATOM 0 HG23 VAL B 7 9.110 5.165 1.119 1.00 0.19 H new ATOM 1016 N ARG B 8 7.086 5.462 3.817 1.00 0.15 N ATOM 1017 CA ARG B 8 6.795 4.969 5.144 1.00 0.16 C ATOM 1018 C ARG B 8 7.850 3.990 5.583 1.00 0.16 C ATOM 1019 O ARG B 8 8.421 3.267 4.764 1.00 0.16 O ATOM 1020 CB ARG B 8 5.425 4.289 5.185 1.00 0.16 C ATOM 1021 CG ARG B 8 4.306 5.171 5.712 1.00 0.18 C ATOM 1022 CD ARG B 8 4.299 6.546 5.065 1.00 0.23 C ATOM 1023 NE ARG B 8 3.037 7.246 5.281 1.00 0.50 N ATOM 1024 CZ ARG B 8 2.910 8.572 5.287 1.00 0.51 C ATOM 1025 NH1 ARG B 8 3.981 9.348 5.167 1.00 0.80 N ATOM 1026 NH2 ARG B 8 1.710 9.116 5.430 1.00 0.82 N ATOM 0 H ARG B 8 7.091 4.743 3.094 1.00 0.15 H new ATOM 0 HA ARG B 8 6.787 5.822 5.822 1.00 0.16 H new ATOM 0 HB2 ARG B 8 5.167 3.956 4.180 1.00 0.16 H new ATOM 0 HB3 ARG B 8 5.493 3.397 5.808 1.00 0.16 H new ATOM 0 HG2 ARG B 8 3.348 4.683 5.533 1.00 0.18 H new ATOM 0 HG3 ARG B 8 4.411 5.281 6.791 1.00 0.18 H new ATOM 0 HD2 ARG B 8 5.117 7.141 5.470 1.00 0.23 H new ATOM 0 HD3 ARG B 8 4.478 6.444 3.995 1.00 0.23 H new ATOM 0 HE ARG B 8 2.200 6.685 5.437 1.00 0.50 H new ATOM 0 HH11 ARG B 8 4.906 8.929 5.070 1.00 0.80 H new ATOM 0 HH12 ARG B 8 3.879 10.363 5.172 1.00 0.80 H new ATOM 0 HH21 ARG B 8 0.889 8.520 5.535 1.00 0.82 H new ATOM 0 HH22 ARG B 8 1.607 10.131 5.435 1.00 0.82 H new ATOM 1040 N LYS B 9 8.130 3.993 6.864 1.00 0.18 N ATOM 1041 CA LYS B 9 8.984 2.988 7.440 1.00 0.19 C ATOM 1042 C LYS B 9 8.120 1.922 8.085 1.00 0.19 C ATOM 1043 O LYS B 9 7.288 2.221 8.948 1.00 0.23 O ATOM 1044 CB LYS B 9 9.943 3.600 8.455 1.00 0.22 C ATOM 1045 CG LYS B 9 10.789 4.734 7.895 1.00 0.25 C ATOM 1046 CD LYS B 9 11.455 4.350 6.582 1.00 0.25 C ATOM 1047 CE LYS B 9 12.566 5.321 6.211 1.00 0.68 C ATOM 1048 NZ LYS B 9 12.164 6.742 6.398 1.00 0.91 N ATOM 0 H LYS B 9 7.777 4.683 7.527 1.00 0.18 H new ATOM 0 HA LYS B 9 9.591 2.537 6.655 1.00 0.19 H new ATOM 0 HB2 LYS B 9 9.370 3.972 9.304 1.00 0.22 H new ATOM 0 HB3 LYS B 9 10.603 2.820 8.834 1.00 0.22 H new ATOM 0 HG2 LYS B 9 10.162 5.612 7.741 1.00 0.25 H new ATOM 0 HG3 LYS B 9 11.553 5.011 8.622 1.00 0.25 H new ATOM 0 HD2 LYS B 9 11.863 3.343 6.662 1.00 0.25 H new ATOM 0 HD3 LYS B 9 10.709 4.329 5.788 1.00 0.25 H new ATOM 0 HE2 LYS B 9 13.446 5.112 6.820 1.00 0.68 H new ATOM 0 HE3 LYS B 9 12.852 5.161 5.172 1.00 0.68 H new ATOM 0 HZ1 LYS B 9 12.866 7.363 5.947 1.00 0.91 H new ATOM 0 HZ2 LYS B 9 11.232 6.899 5.964 1.00 0.91 H new ATOM 0 HZ3 LYS B 9 12.113 6.957 7.414 1.00 0.91 H new ATOM 1062 N VAL B 10 8.297 0.697 7.631 1.00 0.18 N ATOM 1063 CA VAL B 10 7.509 -0.424 8.101 1.00 0.19 C ATOM 1064 C VAL B 10 7.627 -0.582 9.614 1.00 0.20 C ATOM 1065 O VAL B 10 8.695 -0.375 10.184 1.00 0.23 O ATOM 1066 CB VAL B 10 7.950 -1.725 7.395 1.00 0.21 C ATOM 1067 CG1 VAL B 10 7.247 -2.930 7.979 1.00 0.27 C ATOM 1068 CG2 VAL B 10 7.698 -1.636 5.898 1.00 0.25 C ATOM 0 H VAL B 10 8.992 0.451 6.926 1.00 0.18 H new ATOM 0 HA VAL B 10 6.465 -0.226 7.859 1.00 0.19 H new ATOM 0 HB VAL B 10 9.021 -1.847 7.560 1.00 0.21 H new ATOM 0 HG11 VAL B 10 7.578 -3.830 7.462 1.00 0.27 H new ATOM 0 HG12 VAL B 10 7.486 -3.012 9.039 1.00 0.27 H new ATOM 0 HG13 VAL B 10 6.170 -2.817 7.858 1.00 0.27 H new ATOM 0 HG21 VAL B 10 8.016 -2.563 5.420 1.00 0.25 H new ATOM 0 HG22 VAL B 10 6.635 -1.480 5.717 1.00 0.25 H new ATOM 0 HG23 VAL B 10 8.263 -0.801 5.483 1.00 0.25 H new ATOM 1078 N ASP B 11 6.502 -0.895 10.251 1.00 0.20 N ATOM 1079 CA ASP B 11 6.456 -1.183 11.679 1.00 0.21 C ATOM 1080 C ASP B 11 7.494 -2.243 12.043 1.00 0.22 C ATOM 1081 O ASP B 11 8.599 -1.917 12.476 1.00 0.25 O ATOM 1082 CB ASP B 11 5.041 -1.657 12.043 1.00 0.26 C ATOM 1083 CG ASP B 11 4.891 -2.094 13.482 1.00 1.13 C ATOM 1084 OD1 ASP B 11 4.630 -1.233 14.346 1.00 1.86 O ATOM 1085 OD2 ASP B 11 4.996 -3.305 13.746 1.00 1.95 O ATOM 0 H ASP B 11 5.595 -0.956 9.789 1.00 0.20 H new ATOM 0 HA ASP B 11 6.691 -0.281 12.244 1.00 0.21 H new ATOM 0 HB2 ASP B 11 4.336 -0.850 11.844 1.00 0.26 H new ATOM 0 HB3 ASP B 11 4.768 -2.487 11.391 1.00 0.26 H new ATOM 1090 N GLU B 12 7.127 -3.504 11.842 1.00 0.25 N ATOM 1091 CA GLU B 12 8.019 -4.648 12.049 1.00 0.28 C ATOM 1092 C GLU B 12 7.504 -5.803 11.213 1.00 0.28 C ATOM 1093 O GLU B 12 8.260 -6.510 10.549 1.00 0.32 O ATOM 1094 CB GLU B 12 8.056 -5.086 13.526 1.00 0.31 C ATOM 1095 CG GLU B 12 8.456 -3.991 14.496 1.00 0.35 C ATOM 1096 CD GLU B 12 8.505 -4.460 15.930 1.00 0.38 C ATOM 1097 OE1 GLU B 12 9.550 -5.006 16.347 1.00 1.20 O ATOM 1098 OE2 GLU B 12 7.508 -4.266 16.657 1.00 1.11 O ATOM 0 H GLU B 12 6.193 -3.767 11.528 1.00 0.25 H new ATOM 0 HA GLU B 12 9.029 -4.358 11.759 1.00 0.28 H new ATOM 0 HB2 GLU B 12 7.071 -5.460 13.806 1.00 0.31 H new ATOM 0 HB3 GLU B 12 8.754 -5.917 13.628 1.00 0.31 H new ATOM 0 HG2 GLU B 12 9.434 -3.603 14.213 1.00 0.35 H new ATOM 0 HG3 GLU B 12 7.749 -3.165 14.414 1.00 0.35 H new ATOM 1105 N LEU B 13 6.190 -5.978 11.273 1.00 0.26 N ATOM 1106 CA LEU B 13 5.495 -7.018 10.525 1.00 0.25 C ATOM 1107 C LEU B 13 5.347 -6.620 9.063 1.00 0.21 C ATOM 1108 O LEU B 13 5.403 -7.454 8.162 1.00 0.24 O ATOM 1109 CB LEU B 13 4.097 -7.208 11.109 1.00 0.27 C ATOM 1110 CG LEU B 13 4.024 -7.282 12.631 1.00 0.32 C ATOM 1111 CD1 LEU B 13 2.590 -7.080 13.084 1.00 0.64 C ATOM 1112 CD2 LEU B 13 4.565 -8.613 13.129 1.00 0.62 C ATOM 0 H LEU B 13 5.574 -5.400 11.844 1.00 0.26 H new ATOM 0 HA LEU B 13 6.075 -7.938 10.595 1.00 0.25 H new ATOM 0 HB2 LEU B 13 3.467 -6.385 10.772 1.00 0.27 H new ATOM 0 HB3 LEU B 13 3.672 -8.124 10.698 1.00 0.27 H new ATOM 0 HG LEU B 13 4.642 -6.490 13.055 1.00 0.32 H new ATOM 0 HD11 LEU B 13 2.541 -7.133 14.172 1.00 0.64 H new ATOM 0 HD12 LEU B 13 2.238 -6.103 12.752 1.00 0.64 H new ATOM 0 HD13 LEU B 13 1.959 -7.858 12.654 1.00 0.64 H new ATOM 0 HD21 LEU B 13 4.504 -8.646 14.217 1.00 0.62 H new ATOM 0 HD22 LEU B 13 3.974 -9.426 12.708 1.00 0.62 H new ATOM 0 HD23 LEU B 13 5.605 -8.722 12.820 1.00 0.62 H new ATOM 1124 N GLY B 14 5.158 -5.330 8.848 1.00 0.17 N ATOM 1125 CA GLY B 14 4.837 -4.825 7.529 1.00 0.14 C ATOM 1126 C GLY B 14 3.763 -3.760 7.598 1.00 0.10 C ATOM 1127 O GLY B 14 3.336 -3.223 6.581 1.00 0.09 O ATOM 0 H GLY B 14 5.222 -4.614 9.572 1.00 0.17 H new ATOM 0 HA2 GLY B 14 5.733 -4.412 7.067 1.00 0.14 H new ATOM 0 HA3 GLY B 14 4.500 -5.645 6.895 1.00 0.14 H new ATOM 1131 N ARG B 15 3.336 -3.446 8.813 1.00 0.10 N ATOM 1132 CA ARG B 15 2.294 -2.453 9.021 1.00 0.10 C ATOM 1133 C ARG B 15 2.845 -1.048 8.791 1.00 0.09 C ATOM 1134 O ARG B 15 3.871 -0.682 9.360 1.00 0.12 O ATOM 1135 CB ARG B 15 1.733 -2.551 10.447 1.00 0.17 C ATOM 1136 CG ARG B 15 1.301 -3.952 10.858 1.00 0.23 C ATOM 1137 CD ARG B 15 0.513 -3.936 12.159 1.00 0.42 C ATOM 1138 NE ARG B 15 -0.797 -3.299 12.013 1.00 1.48 N ATOM 1139 CZ ARG B 15 -1.277 -2.377 12.850 1.00 1.80 C ATOM 1140 NH1 ARG B 15 -0.527 -1.925 13.849 1.00 1.45 N ATOM 1141 NH2 ARG B 15 -2.507 -1.899 12.678 1.00 2.89 N ATOM 0 H ARG B 15 3.696 -3.866 9.670 1.00 0.10 H new ATOM 0 HA ARG B 15 1.494 -2.648 8.307 1.00 0.10 H new ATOM 0 HB2 ARG B 15 2.490 -2.197 11.147 1.00 0.17 H new ATOM 0 HB3 ARG B 15 0.879 -1.880 10.535 1.00 0.17 H new ATOM 0 HG2 ARG B 15 0.692 -4.392 10.068 1.00 0.23 H new ATOM 0 HG3 ARG B 15 2.180 -4.586 10.972 1.00 0.23 H new ATOM 0 HD2 ARG B 15 0.379 -4.959 12.511 1.00 0.42 H new ATOM 0 HD3 ARG B 15 1.087 -3.409 12.921 1.00 0.42 H new ATOM 0 HE ARG B 15 -1.379 -3.577 11.223 1.00 1.48 H new ATOM 0 HH11 ARG B 15 0.419 -2.283 13.978 1.00 1.45 H new ATOM 0 HH12 ARG B 15 -0.898 -1.220 14.487 1.00 1.45 H new ATOM 0 HH21 ARG B 15 -3.082 -2.237 11.907 1.00 2.89 H new ATOM 0 HH22 ARG B 15 -2.874 -1.194 13.317 1.00 2.89 H new ATOM 1155 N ILE B 16 2.177 -0.272 7.948 1.00 0.09 N ATOM 1156 CA ILE B 16 2.582 1.107 7.690 1.00 0.09 C ATOM 1157 C ILE B 16 1.347 2.005 7.691 1.00 0.09 C ATOM 1158 O ILE B 16 0.229 1.532 7.898 1.00 0.10 O ATOM 1159 CB ILE B 16 3.357 1.265 6.352 1.00 0.09 C ATOM 1160 CG1 ILE B 16 2.392 1.462 5.177 1.00 0.11 C ATOM 1161 CG2 ILE B 16 4.266 0.067 6.109 1.00 0.10 C ATOM 1162 CD1 ILE B 16 3.050 1.397 3.820 1.00 0.12 C ATOM 0 H ILE B 16 1.351 -0.573 7.430 1.00 0.09 H new ATOM 0 HA ILE B 16 3.266 1.403 8.485 1.00 0.09 H new ATOM 0 HB ILE B 16 3.980 2.156 6.428 1.00 0.09 H new ATOM 0 HG12 ILE B 16 1.614 0.700 5.228 1.00 0.11 H new ATOM 0 HG13 ILE B 16 1.899 2.428 5.284 1.00 0.11 H new ATOM 0 HG21 ILE B 16 4.798 0.199 5.167 1.00 0.10 H new ATOM 0 HG22 ILE B 16 4.985 -0.015 6.924 1.00 0.10 H new ATOM 0 HG23 ILE B 16 3.666 -0.842 6.062 1.00 0.10 H new ATOM 0 HD11 ILE B 16 2.299 1.546 3.044 1.00 0.12 H new ATOM 0 HD12 ILE B 16 3.808 2.177 3.746 1.00 0.12 H new ATOM 0 HD13 ILE B 16 3.519 0.422 3.689 1.00 0.12 H new ATOM 1174 N VAL B 17 1.539 3.291 7.458 1.00 0.09 N ATOM 1175 CA VAL B 17 0.433 4.231 7.497 1.00 0.09 C ATOM 1176 C VAL B 17 0.115 4.764 6.103 1.00 0.09 C ATOM 1177 O VAL B 17 0.911 5.484 5.493 1.00 0.13 O ATOM 1178 CB VAL B 17 0.703 5.403 8.481 1.00 0.10 C ATOM 1179 CG1 VAL B 17 2.101 5.973 8.295 1.00 0.12 C ATOM 1180 CG2 VAL B 17 -0.352 6.495 8.331 1.00 0.11 C ATOM 0 H VAL B 17 2.445 3.707 7.241 1.00 0.09 H new ATOM 0 HA VAL B 17 -0.436 3.686 7.864 1.00 0.09 H new ATOM 0 HB VAL B 17 0.639 5.004 9.493 1.00 0.10 H new ATOM 0 HG11 VAL B 17 2.257 6.791 8.999 1.00 0.12 H new ATOM 0 HG12 VAL B 17 2.839 5.192 8.477 1.00 0.12 H new ATOM 0 HG13 VAL B 17 2.210 6.345 7.276 1.00 0.12 H new ATOM 0 HG21 VAL B 17 -0.141 7.304 9.031 1.00 0.11 H new ATOM 0 HG22 VAL B 17 -0.333 6.882 7.312 1.00 0.11 H new ATOM 0 HG23 VAL B 17 -1.338 6.080 8.543 1.00 0.11 H new ATOM 1190 N MET B 18 -1.045 4.376 5.595 1.00 0.09 N ATOM 1191 CA MET B 18 -1.555 4.928 4.342 1.00 0.09 C ATOM 1192 C MET B 18 -2.148 6.293 4.648 1.00 0.08 C ATOM 1193 O MET B 18 -2.681 6.499 5.739 1.00 0.15 O ATOM 1194 CB MET B 18 -2.637 4.027 3.731 1.00 0.17 C ATOM 1195 CG MET B 18 -2.169 2.639 3.308 1.00 0.20 C ATOM 1196 SD MET B 18 -1.374 2.617 1.687 1.00 0.90 S ATOM 1197 CE MET B 18 0.296 3.094 2.096 1.00 0.50 C ATOM 0 H MET B 18 -1.653 3.681 6.029 1.00 0.09 H new ATOM 0 HA MET B 18 -0.741 5.000 3.621 1.00 0.09 H new ATOM 0 HB2 MET B 18 -3.444 3.915 4.455 1.00 0.17 H new ATOM 0 HB3 MET B 18 -3.057 4.531 2.861 1.00 0.17 H new ATOM 0 HG2 MET B 18 -1.471 2.256 4.053 1.00 0.20 H new ATOM 0 HG3 MET B 18 -3.024 1.963 3.295 1.00 0.20 H new ATOM 0 HE1 MET B 18 0.996 2.541 1.470 1.00 0.50 H new ATOM 0 HE2 MET B 18 0.421 4.163 1.924 1.00 0.50 H new ATOM 0 HE3 MET B 18 0.492 2.870 3.144 1.00 0.50 H new ATOM 1207 N PRO B 19 -2.066 7.257 3.730 1.00 0.09 N ATOM 1208 CA PRO B 19 -2.509 8.596 4.014 1.00 0.11 C ATOM 1209 C PRO B 19 -3.982 8.833 3.689 1.00 0.12 C ATOM 1210 O PRO B 19 -4.645 8.036 3.002 1.00 0.12 O ATOM 1211 CB PRO B 19 -1.600 9.454 3.131 1.00 0.14 C ATOM 1212 CG PRO B 19 -1.136 8.563 2.017 1.00 0.19 C ATOM 1213 CD PRO B 19 -1.548 7.142 2.360 1.00 0.14 C ATOM 0 HA PRO B 19 -2.441 8.827 5.077 1.00 0.11 H new ATOM 0 HB2 PRO B 19 -2.139 10.317 2.740 1.00 0.14 H new ATOM 0 HB3 PRO B 19 -0.754 9.838 3.701 1.00 0.14 H new ATOM 0 HG2 PRO B 19 -1.579 8.872 1.070 1.00 0.19 H new ATOM 0 HG3 PRO B 19 -0.054 8.630 1.899 1.00 0.19 H new ATOM 0 HD2 PRO B 19 -2.308 6.767 1.674 1.00 0.14 H new ATOM 0 HD3 PRO B 19 -0.703 6.455 2.306 1.00 0.14 H new ATOM 1221 N ILE B 20 -4.494 9.933 4.219 1.00 0.15 N ATOM 1222 CA ILE B 20 -5.823 10.412 3.896 1.00 0.17 C ATOM 1223 C ILE B 20 -6.023 10.461 2.387 1.00 0.16 C ATOM 1224 O ILE B 20 -7.118 10.231 1.898 1.00 0.17 O ATOM 1225 CB ILE B 20 -6.054 11.814 4.489 1.00 0.21 C ATOM 1226 CG1 ILE B 20 -7.369 12.415 3.980 1.00 0.25 C ATOM 1227 CG2 ILE B 20 -4.867 12.720 4.169 1.00 0.21 C ATOM 1228 CD1 ILE B 20 -8.602 11.814 4.615 1.00 0.27 C ATOM 0 H ILE B 20 -3.995 10.519 4.888 1.00 0.15 H new ATOM 0 HA ILE B 20 -6.543 9.718 4.330 1.00 0.17 H new ATOM 0 HB ILE B 20 -6.135 11.727 5.572 1.00 0.21 H new ATOM 0 HG12 ILE B 20 -7.363 13.489 4.166 1.00 0.25 H new ATOM 0 HG13 ILE B 20 -7.425 12.279 2.900 1.00 0.25 H new ATOM 0 HG21 ILE B 20 -5.040 13.709 4.593 1.00 0.21 H new ATOM 0 HG22 ILE B 20 -3.959 12.295 4.598 1.00 0.21 H new ATOM 0 HG23 ILE B 20 -4.754 12.803 3.088 1.00 0.21 H new ATOM 0 HD11 ILE B 20 -9.492 12.290 4.204 1.00 0.27 H new ATOM 0 HD12 ILE B 20 -8.634 10.745 4.407 1.00 0.27 H new ATOM 0 HD13 ILE B 20 -8.570 11.973 5.693 1.00 0.27 H new ATOM 1240 N GLU B 21 -4.944 10.743 1.664 1.00 0.16 N ATOM 1241 CA GLU B 21 -4.952 10.778 0.206 1.00 0.18 C ATOM 1242 C GLU B 21 -5.509 9.480 -0.350 1.00 0.14 C ATOM 1243 O GLU B 21 -6.282 9.483 -1.299 1.00 0.15 O ATOM 1244 CB GLU B 21 -3.524 10.934 -0.291 1.00 0.24 C ATOM 1245 CG GLU B 21 -2.639 11.675 0.695 1.00 0.22 C ATOM 1246 CD GLU B 21 -2.544 13.157 0.405 1.00 0.42 C ATOM 1247 OE1 GLU B 21 -3.511 13.887 0.708 1.00 0.98 O ATOM 1248 OE2 GLU B 21 -1.505 13.601 -0.123 1.00 1.23 O ATOM 0 H GLU B 21 -4.035 10.955 2.075 1.00 0.16 H new ATOM 0 HA GLU B 21 -5.573 11.612 -0.123 1.00 0.18 H new ATOM 0 HB2 GLU B 21 -3.101 9.948 -0.483 1.00 0.24 H new ATOM 0 HB3 GLU B 21 -3.530 11.469 -1.241 1.00 0.24 H new ATOM 0 HG2 GLU B 21 -3.028 11.532 1.703 1.00 0.22 H new ATOM 0 HG3 GLU B 21 -1.639 11.241 0.675 1.00 0.22 H new ATOM 1255 N LEU B 22 -5.115 8.373 0.273 1.00 0.13 N ATOM 1256 CA LEU B 22 -5.557 7.055 -0.143 1.00 0.13 C ATOM 1257 C LEU B 22 -7.023 6.884 0.184 1.00 0.14 C ATOM 1258 O LEU B 22 -7.800 6.369 -0.621 1.00 0.16 O ATOM 1259 CB LEU B 22 -4.724 5.962 0.546 1.00 0.13 C ATOM 1260 CG LEU B 22 -5.475 4.662 0.862 1.00 0.15 C ATOM 1261 CD1 LEU B 22 -4.602 3.457 0.559 1.00 0.15 C ATOM 1262 CD2 LEU B 22 -5.902 4.642 2.326 1.00 0.21 C ATOM 0 H LEU B 22 -4.484 8.369 1.075 1.00 0.13 H new ATOM 0 HA LEU B 22 -5.417 6.960 -1.220 1.00 0.13 H new ATOM 0 HB2 LEU B 22 -3.872 5.724 -0.090 1.00 0.13 H new ATOM 0 HB3 LEU B 22 -4.324 6.366 1.476 1.00 0.13 H new ATOM 0 HG LEU B 22 -6.364 4.616 0.233 1.00 0.15 H new ATOM 0 HD11 LEU B 22 -5.150 2.543 0.789 1.00 0.15 H new ATOM 0 HD12 LEU B 22 -4.330 3.461 -0.496 1.00 0.15 H new ATOM 0 HD13 LEU B 22 -3.698 3.500 1.167 1.00 0.15 H new ATOM 0 HD21 LEU B 22 -6.434 3.714 2.537 1.00 0.21 H new ATOM 0 HD22 LEU B 22 -5.020 4.708 2.963 1.00 0.21 H new ATOM 0 HD23 LEU B 22 -6.558 5.490 2.525 1.00 0.21 H new ATOM 1274 N ARG B 23 -7.392 7.327 1.375 1.00 0.16 N ATOM 1275 CA ARG B 23 -8.778 7.256 1.811 1.00 0.19 C ATOM 1276 C ARG B 23 -9.685 8.026 0.856 1.00 0.20 C ATOM 1277 O ARG B 23 -10.713 7.512 0.414 1.00 0.23 O ATOM 1278 CB ARG B 23 -8.906 7.793 3.243 1.00 0.24 C ATOM 1279 CG ARG B 23 -8.034 7.030 4.229 1.00 0.28 C ATOM 1280 CD ARG B 23 -8.342 7.382 5.679 1.00 0.52 C ATOM 1281 NE ARG B 23 -7.953 8.745 6.037 1.00 0.83 N ATOM 1282 CZ ARG B 23 -8.192 9.286 7.235 1.00 0.85 C ATOM 1283 NH1 ARG B 23 -8.848 8.596 8.157 1.00 0.78 N ATOM 1284 NH2 ARG B 23 -7.779 10.516 7.516 1.00 1.75 N ATOM 0 H ARG B 23 -6.754 7.739 2.056 1.00 0.16 H new ATOM 0 HA ARG B 23 -9.095 6.213 1.802 1.00 0.19 H new ATOM 0 HB2 ARG B 23 -8.630 8.847 3.259 1.00 0.24 H new ATOM 0 HB3 ARG B 23 -9.947 7.731 3.560 1.00 0.24 H new ATOM 0 HG2 ARG B 23 -8.176 5.959 4.081 1.00 0.28 H new ATOM 0 HG3 ARG B 23 -6.985 7.244 4.022 1.00 0.28 H new ATOM 0 HD2 ARG B 23 -9.410 7.258 5.857 1.00 0.52 H new ATOM 0 HD3 ARG B 23 -7.826 6.680 6.334 1.00 0.52 H new ATOM 0 HE ARG B 23 -7.475 9.312 5.337 1.00 0.83 H new ATOM 0 HH11 ARG B 23 -9.171 7.650 7.952 1.00 0.78 H new ATOM 0 HH12 ARG B 23 -9.030 9.011 9.071 1.00 0.78 H new ATOM 0 HH21 ARG B 23 -7.274 11.057 6.814 1.00 1.75 H new ATOM 0 HH22 ARG B 23 -7.967 10.920 8.434 1.00 1.75 H new ATOM 1298 N ARG B 24 -9.280 9.253 0.556 1.00 0.21 N ATOM 1299 CA ARG B 24 -9.962 10.104 -0.414 1.00 0.23 C ATOM 1300 C ARG B 24 -10.012 9.445 -1.786 1.00 0.22 C ATOM 1301 O ARG B 24 -11.078 9.351 -2.395 1.00 0.23 O ATOM 1302 CB ARG B 24 -9.231 11.444 -0.532 1.00 0.24 C ATOM 1303 CG ARG B 24 -9.149 12.210 0.767 1.00 0.28 C ATOM 1304 CD ARG B 24 -8.009 13.216 0.750 1.00 0.32 C ATOM 1305 NE ARG B 24 -8.246 14.342 -0.148 1.00 0.48 N ATOM 1306 CZ ARG B 24 -7.635 15.523 -0.025 1.00 0.71 C ATOM 1307 NH1 ARG B 24 -6.726 15.702 0.926 1.00 0.82 N ATOM 1308 NH2 ARG B 24 -7.924 16.515 -0.858 1.00 1.00 N ATOM 0 H ARG B 24 -8.463 9.690 0.982 1.00 0.21 H new ATOM 0 HA ARG B 24 -10.982 10.261 -0.063 1.00 0.23 H new ATOM 0 HB2 ARG B 24 -8.221 11.265 -0.902 1.00 0.24 H new ATOM 0 HB3 ARG B 24 -9.738 12.060 -1.275 1.00 0.24 H new ATOM 0 HG2 ARG B 24 -10.091 12.729 0.945 1.00 0.28 H new ATOM 0 HG3 ARG B 24 -9.008 11.513 1.593 1.00 0.28 H new ATOM 0 HD2 ARG B 24 -7.851 13.593 1.760 1.00 0.32 H new ATOM 0 HD3 ARG B 24 -7.091 12.709 0.452 1.00 0.32 H new ATOM 0 HE ARG B 24 -8.913 14.220 -0.910 1.00 0.48 H new ATOM 0 HH11 ARG B 24 -6.495 14.938 1.561 1.00 0.82 H new ATOM 0 HH12 ARG B 24 -6.258 16.603 1.021 1.00 0.82 H new ATOM 0 HH21 ARG B 24 -8.615 16.377 -1.595 1.00 1.00 H new ATOM 0 HH22 ARG B 24 -7.455 17.416 -0.761 1.00 1.00 H new ATOM 1322 N ALA B 25 -8.841 9.026 -2.269 1.00 0.21 N ATOM 1323 CA ALA B 25 -8.705 8.367 -3.564 1.00 0.22 C ATOM 1324 C ALA B 25 -9.695 7.230 -3.745 1.00 0.23 C ATOM 1325 O ALA B 25 -10.404 7.161 -4.748 1.00 0.25 O ATOM 1326 CB ALA B 25 -7.296 7.811 -3.692 1.00 0.22 C ATOM 0 H ALA B 25 -7.959 9.136 -1.769 1.00 0.21 H new ATOM 0 HA ALA B 25 -8.909 9.112 -4.333 1.00 0.22 H new ATOM 0 HB1 ALA B 25 -7.186 7.317 -4.657 1.00 0.22 H new ATOM 0 HB2 ALA B 25 -6.575 8.625 -3.617 1.00 0.22 H new ATOM 0 HB3 ALA B 25 -7.115 7.092 -2.893 1.00 0.22 H new ATOM 1332 N LEU B 26 -9.730 6.336 -2.776 1.00 0.24 N ATOM 1333 CA LEU B 26 -10.550 5.149 -2.878 1.00 0.28 C ATOM 1334 C LEU B 26 -11.971 5.418 -2.386 1.00 0.30 C ATOM 1335 O LEU B 26 -12.794 5.978 -3.113 1.00 0.37 O ATOM 1336 CB LEU B 26 -9.924 3.995 -2.093 1.00 0.27 C ATOM 1337 CG LEU B 26 -8.461 3.692 -2.423 1.00 0.27 C ATOM 1338 CD1 LEU B 26 -7.936 2.564 -1.549 1.00 0.27 C ATOM 1339 CD2 LEU B 26 -8.304 3.337 -3.889 1.00 0.35 C ATOM 0 H LEU B 26 -9.199 6.411 -1.909 1.00 0.24 H new ATOM 0 HA LEU B 26 -10.603 4.868 -3.930 1.00 0.28 H new ATOM 0 HB2 LEU B 26 -10.000 4.219 -1.029 1.00 0.27 H new ATOM 0 HB3 LEU B 26 -10.513 3.095 -2.272 1.00 0.27 H new ATOM 0 HG LEU B 26 -7.876 4.589 -2.220 1.00 0.27 H new ATOM 0 HD11 LEU B 26 -6.894 2.364 -1.800 1.00 0.27 H new ATOM 0 HD12 LEU B 26 -8.008 2.853 -0.500 1.00 0.27 H new ATOM 0 HD13 LEU B 26 -8.529 1.665 -1.720 1.00 0.27 H new ATOM 0 HD21 LEU B 26 -7.256 3.125 -4.102 1.00 0.35 H new ATOM 0 HD22 LEU B 26 -8.906 2.457 -4.117 1.00 0.35 H new ATOM 0 HD23 LEU B 26 -8.637 4.173 -4.504 1.00 0.35 H new ATOM 1351 N ASP B 27 -12.239 5.043 -1.140 1.00 0.32 N ATOM 1352 CA ASP B 27 -13.577 5.148 -0.557 1.00 0.36 C ATOM 1353 C ASP B 27 -13.511 5.062 0.962 1.00 0.42 C ATOM 1354 O ASP B 27 -14.532 4.857 1.619 1.00 0.75 O ATOM 1355 CB ASP B 27 -14.482 4.010 -1.051 1.00 0.45 C ATOM 1356 CG ASP B 27 -15.210 4.309 -2.345 1.00 0.91 C ATOM 1357 OD1 ASP B 27 -16.221 5.042 -2.309 1.00 1.57 O ATOM 1358 OD2 ASP B 27 -14.805 3.773 -3.398 1.00 1.77 O ATOM 0 H ASP B 27 -11.539 4.659 -0.505 1.00 0.32 H new ATOM 0 HA ASP B 27 -13.985 6.111 -0.864 1.00 0.36 H new ATOM 0 HB2 ASP B 27 -13.877 3.114 -1.187 1.00 0.45 H new ATOM 0 HB3 ASP B 27 -15.217 3.784 -0.278 1.00 0.45 H new ATOM 1363 N ILE B 28 -12.321 5.247 1.519 1.00 0.28 N ATOM 1364 CA ILE B 28 -12.073 4.864 2.910 1.00 0.29 C ATOM 1365 C ILE B 28 -12.807 5.785 3.870 1.00 0.32 C ATOM 1366 O ILE B 28 -12.675 7.008 3.806 1.00 0.33 O ATOM 1367 CB ILE B 28 -10.561 4.835 3.286 1.00 0.30 C ATOM 1368 CG1 ILE B 28 -9.809 3.674 2.615 1.00 0.29 C ATOM 1369 CG2 ILE B 28 -10.402 4.713 4.797 1.00 0.38 C ATOM 1370 CD1 ILE B 28 -10.053 3.533 1.141 1.00 0.28 C ATOM 0 H ILE B 28 -11.519 5.655 1.039 1.00 0.28 H new ATOM 0 HA ILE B 28 -12.454 3.847 3.002 1.00 0.29 H new ATOM 0 HB ILE B 28 -10.130 5.770 2.927 1.00 0.30 H new ATOM 0 HG12 ILE B 28 -8.740 3.808 2.781 1.00 0.29 H new ATOM 0 HG13 ILE B 28 -10.093 2.744 3.106 1.00 0.29 H new ATOM 0 HG21 ILE B 28 -9.342 4.693 5.051 1.00 0.38 H new ATOM 0 HG22 ILE B 28 -10.876 5.566 5.283 1.00 0.38 H new ATOM 0 HG23 ILE B 28 -10.874 3.792 5.139 1.00 0.38 H new ATOM 0 HD11 ILE B 28 -9.481 2.688 0.757 1.00 0.28 H new ATOM 0 HD12 ILE B 28 -11.115 3.363 0.963 1.00 0.28 H new ATOM 0 HD13 ILE B 28 -9.741 4.445 0.632 1.00 0.28 H new ATOM 1382 N ALA B 29 -13.580 5.179 4.757 1.00 0.38 N ATOM 1383 CA ALA B 29 -14.328 5.917 5.750 1.00 0.40 C ATOM 1384 C ALA B 29 -13.568 5.959 7.070 1.00 0.39 C ATOM 1385 O ALA B 29 -13.441 7.010 7.695 1.00 0.47 O ATOM 1386 CB ALA B 29 -15.697 5.284 5.936 1.00 0.39 C ATOM 0 H ALA B 29 -13.703 4.168 4.805 1.00 0.38 H new ATOM 0 HA ALA B 29 -14.460 6.943 5.406 1.00 0.40 H new ATOM 0 HB1 ALA B 29 -16.258 5.843 6.685 1.00 0.39 H new ATOM 0 HB2 ALA B 29 -16.238 5.302 4.990 1.00 0.39 H new ATOM 0 HB3 ALA B 29 -15.579 4.252 6.267 1.00 0.39 H new ATOM 1392 N ILE B 30 -13.053 4.806 7.477 1.00 0.35 N ATOM 1393 CA ILE B 30 -12.263 4.697 8.699 1.00 0.36 C ATOM 1394 C ILE B 30 -11.508 3.372 8.701 1.00 0.37 C ATOM 1395 O ILE B 30 -10.381 3.299 9.166 1.00 0.47 O ATOM 1396 CB ILE B 30 -13.148 4.851 9.974 1.00 0.35 C ATOM 1397 CG1 ILE B 30 -12.298 4.939 11.260 1.00 0.39 C ATOM 1398 CG2 ILE B 30 -14.171 3.727 10.073 1.00 0.32 C ATOM 1399 CD1 ILE B 30 -11.929 3.605 11.882 1.00 0.39 C ATOM 0 H ILE B 30 -13.169 3.926 6.975 1.00 0.35 H new ATOM 0 HA ILE B 30 -11.542 5.514 8.721 1.00 0.36 H new ATOM 0 HB ILE B 30 -13.687 5.793 9.877 1.00 0.35 H new ATOM 0 HG12 ILE B 30 -11.381 5.483 11.034 1.00 0.39 H new ATOM 0 HG13 ILE B 30 -12.844 5.527 11.998 1.00 0.39 H new ATOM 0 HG21 ILE B 30 -14.773 3.861 10.972 1.00 0.32 H new ATOM 0 HG22 ILE B 30 -14.818 3.746 9.196 1.00 0.32 H new ATOM 0 HG23 ILE B 30 -13.655 2.768 10.122 1.00 0.32 H new ATOM 0 HD11 ILE B 30 -11.333 3.774 12.779 1.00 0.39 H new ATOM 0 HD12 ILE B 30 -12.837 3.063 12.147 1.00 0.39 H new ATOM 0 HD13 ILE B 30 -11.351 3.018 11.168 1.00 0.39 H new ATOM 1411 N LYS B 31 -12.138 2.331 8.170 1.00 0.30 N ATOM 1412 CA LYS B 31 -11.470 1.052 7.965 1.00 0.37 C ATOM 1413 C LYS B 31 -11.644 0.625 6.513 1.00 0.36 C ATOM 1414 O LYS B 31 -10.698 0.201 5.850 1.00 0.52 O ATOM 1415 CB LYS B 31 -12.039 -0.018 8.907 1.00 0.40 C ATOM 1416 CG LYS B 31 -12.138 0.433 10.358 1.00 0.41 C ATOM 1417 CD LYS B 31 -12.252 -0.744 11.310 1.00 0.32 C ATOM 1418 CE LYS B 31 -10.941 -1.508 11.391 1.00 0.33 C ATOM 1419 NZ LYS B 31 -11.008 -2.637 12.351 1.00 0.39 N ATOM 0 H LYS B 31 -13.114 2.348 7.873 1.00 0.30 H new ATOM 0 HA LYS B 31 -10.409 1.164 8.189 1.00 0.37 H new ATOM 0 HB2 LYS B 31 -13.030 -0.307 8.557 1.00 0.40 H new ATOM 0 HB3 LYS B 31 -11.411 -0.907 8.854 1.00 0.40 H new ATOM 0 HG2 LYS B 31 -11.259 1.024 10.615 1.00 0.41 H new ATOM 0 HG3 LYS B 31 -13.005 1.082 10.478 1.00 0.41 H new ATOM 0 HD2 LYS B 31 -12.532 -0.388 12.302 1.00 0.32 H new ATOM 0 HD3 LYS B 31 -13.046 -1.412 10.975 1.00 0.32 H new ATOM 0 HE2 LYS B 31 -10.683 -1.889 10.403 1.00 0.33 H new ATOM 0 HE3 LYS B 31 -10.144 -0.827 11.689 1.00 0.33 H new ATOM 0 HZ1 LYS B 31 -10.092 -3.129 12.373 1.00 0.39 H new ATOM 0 HZ2 LYS B 31 -11.228 -2.273 13.300 1.00 0.39 H new ATOM 0 HZ3 LYS B 31 -11.751 -3.302 12.054 1.00 0.39 H new ATOM 1433 N ASP B 32 -12.874 0.767 6.046 1.00 0.24 N ATOM 1434 CA ASP B 32 -13.254 0.529 4.656 1.00 0.23 C ATOM 1435 C ASP B 32 -12.885 -0.873 4.171 1.00 0.34 C ATOM 1436 O ASP B 32 -13.515 -1.846 4.577 1.00 0.82 O ATOM 1437 CB ASP B 32 -12.656 1.594 3.741 1.00 0.26 C ATOM 1438 CG ASP B 32 -13.585 1.922 2.600 1.00 1.12 C ATOM 1439 OD1 ASP B 32 -14.772 2.190 2.858 1.00 1.79 O ATOM 1440 OD2 ASP B 32 -13.135 1.920 1.445 1.00 1.83 O ATOM 0 H ASP B 32 -13.656 1.057 6.633 1.00 0.24 H new ATOM 0 HA ASP B 32 -14.341 0.598 4.614 1.00 0.23 H new ATOM 0 HB2 ASP B 32 -12.451 2.497 4.316 1.00 0.26 H new ATOM 0 HB3 ASP B 32 -11.702 1.243 3.347 1.00 0.26 H new ATOM 1445 N SER B 33 -11.832 -0.967 3.350 1.00 0.23 N ATOM 1446 CA SER B 33 -11.425 -2.197 2.655 1.00 0.17 C ATOM 1447 C SER B 33 -10.283 -1.857 1.709 1.00 0.17 C ATOM 1448 O SER B 33 -10.491 -1.125 0.749 1.00 0.24 O ATOM 1449 CB SER B 33 -12.537 -2.793 1.785 1.00 0.18 C ATOM 1450 OG SER B 33 -13.626 -3.291 2.538 1.00 0.22 O ATOM 0 H SER B 33 -11.225 -0.173 3.145 1.00 0.23 H new ATOM 0 HA SER B 33 -11.154 -2.919 3.426 1.00 0.17 H new ATOM 0 HB2 SER B 33 -12.899 -2.030 1.096 1.00 0.18 H new ATOM 0 HB3 SER B 33 -12.123 -3.599 1.179 1.00 0.18 H new ATOM 0 HG SER B 33 -13.589 -2.926 3.447 1.00 0.22 H new ATOM 1456 N ILE B 34 -9.088 -2.355 1.961 1.00 0.15 N ATOM 1457 CA ILE B 34 -7.990 -2.101 1.041 1.00 0.16 C ATOM 1458 C ILE B 34 -7.329 -3.402 0.638 1.00 0.14 C ATOM 1459 O ILE B 34 -6.716 -4.071 1.458 1.00 0.14 O ATOM 1460 CB ILE B 34 -6.907 -1.165 1.631 1.00 0.22 C ATOM 1461 CG1 ILE B 34 -7.517 0.125 2.185 1.00 0.25 C ATOM 1462 CG2 ILE B 34 -5.873 -0.832 0.569 1.00 0.32 C ATOM 1463 CD1 ILE B 34 -8.022 -0.007 3.603 1.00 0.40 C ATOM 0 H ILE B 34 -8.853 -2.925 2.774 1.00 0.15 H new ATOM 0 HA ILE B 34 -8.431 -1.604 0.177 1.00 0.16 H new ATOM 0 HB ILE B 34 -6.427 -1.691 2.457 1.00 0.22 H new ATOM 0 HG12 ILE B 34 -6.769 0.917 2.146 1.00 0.25 H new ATOM 0 HG13 ILE B 34 -8.341 0.433 1.542 1.00 0.25 H new ATOM 0 HG21 ILE B 34 -5.115 -0.173 0.993 1.00 0.32 H new ATOM 0 HG22 ILE B 34 -5.401 -1.750 0.220 1.00 0.32 H new ATOM 0 HG23 ILE B 34 -6.360 -0.333 -0.269 1.00 0.32 H new ATOM 0 HD11 ILE B 34 -8.441 0.945 3.930 1.00 0.40 H new ATOM 0 HD12 ILE B 34 -8.793 -0.776 3.644 1.00 0.40 H new ATOM 0 HD13 ILE B 34 -7.197 -0.285 4.259 1.00 0.40 H new ATOM 1475 N GLU B 35 -7.431 -3.744 -0.627 1.00 0.14 N ATOM 1476 CA GLU B 35 -6.885 -4.993 -1.112 1.00 0.13 C ATOM 1477 C GLU B 35 -5.718 -4.696 -2.047 1.00 0.12 C ATOM 1478 O GLU B 35 -5.826 -3.827 -2.918 1.00 0.15 O ATOM 1479 CB GLU B 35 -7.971 -5.810 -1.819 1.00 0.18 C ATOM 1480 CG GLU B 35 -7.516 -7.198 -2.240 1.00 0.27 C ATOM 1481 CD GLU B 35 -8.622 -8.011 -2.873 1.00 0.49 C ATOM 1482 OE1 GLU B 35 -9.021 -7.682 -4.011 1.00 1.24 O ATOM 1483 OE2 GLU B 35 -9.077 -8.986 -2.247 1.00 1.21 O ATOM 0 H GLU B 35 -7.887 -3.174 -1.340 1.00 0.14 H new ATOM 0 HA GLU B 35 -6.521 -5.588 -0.274 1.00 0.13 H new ATOM 0 HB2 GLU B 35 -8.831 -5.905 -1.156 1.00 0.18 H new ATOM 0 HB3 GLU B 35 -8.307 -5.265 -2.701 1.00 0.18 H new ATOM 0 HG2 GLU B 35 -6.690 -7.106 -2.945 1.00 0.27 H new ATOM 0 HG3 GLU B 35 -7.134 -7.730 -1.369 1.00 0.27 H new ATOM 1490 N PHE B 36 -4.600 -5.395 -1.858 1.00 0.11 N ATOM 1491 CA PHE B 36 -3.386 -5.062 -2.604 1.00 0.11 C ATOM 1492 C PHE B 36 -2.995 -6.133 -3.624 1.00 0.13 C ATOM 1493 O PHE B 36 -3.276 -7.324 -3.464 1.00 0.15 O ATOM 1494 CB PHE B 36 -2.189 -4.769 -1.678 1.00 0.13 C ATOM 1495 CG PHE B 36 -2.483 -4.842 -0.207 1.00 0.17 C ATOM 1496 CD1 PHE B 36 -3.307 -3.908 0.401 1.00 1.14 C ATOM 1497 CD2 PHE B 36 -1.911 -5.832 0.575 1.00 1.22 C ATOM 1498 CE1 PHE B 36 -3.556 -3.964 1.756 1.00 1.13 C ATOM 1499 CE2 PHE B 36 -2.160 -5.893 1.931 1.00 1.29 C ATOM 1500 CZ PHE B 36 -2.982 -4.957 2.520 1.00 0.37 C ATOM 0 H PHE B 36 -4.508 -6.178 -1.211 1.00 0.11 H new ATOM 0 HA PHE B 36 -3.636 -4.153 -3.151 1.00 0.11 H new ATOM 0 HB2 PHE B 36 -1.391 -5.475 -1.908 1.00 0.13 H new ATOM 0 HB3 PHE B 36 -1.809 -3.773 -1.907 1.00 0.13 H new ATOM 0 HD1 PHE B 36 -3.759 -3.128 -0.193 1.00 1.14 H new ATOM 0 HD2 PHE B 36 -1.262 -6.565 0.118 1.00 1.22 H new ATOM 0 HE1 PHE B 36 -4.200 -3.231 2.218 1.00 1.13 H new ATOM 0 HE2 PHE B 36 -1.712 -6.673 2.529 1.00 1.29 H new ATOM 0 HZ PHE B 36 -3.177 -5.002 3.581 1.00 0.37 H new ATOM 1510 N PHE B 37 -2.339 -5.657 -4.675 1.00 0.15 N ATOM 1511 CA PHE B 37 -1.825 -6.466 -5.773 1.00 0.17 C ATOM 1512 C PHE B 37 -0.334 -6.195 -5.883 1.00 0.15 C ATOM 1513 O PHE B 37 0.107 -5.090 -5.610 1.00 0.16 O ATOM 1514 CB PHE B 37 -2.553 -6.055 -7.070 1.00 0.21 C ATOM 1515 CG PHE B 37 -2.206 -6.851 -8.303 1.00 0.24 C ATOM 1516 CD1 PHE B 37 -1.042 -6.594 -9.015 1.00 1.17 C ATOM 1517 CD2 PHE B 37 -3.059 -7.841 -8.763 1.00 1.22 C ATOM 1518 CE1 PHE B 37 -0.735 -7.312 -10.153 1.00 1.21 C ATOM 1519 CE2 PHE B 37 -2.756 -8.565 -9.901 1.00 1.22 C ATOM 1520 CZ PHE B 37 -1.592 -8.301 -10.595 1.00 0.36 C ATOM 0 H PHE B 37 -2.143 -4.663 -4.790 1.00 0.15 H new ATOM 0 HA PHE B 37 -1.992 -7.530 -5.603 1.00 0.17 H new ATOM 0 HB2 PHE B 37 -3.627 -6.134 -6.901 1.00 0.21 H new ATOM 0 HB3 PHE B 37 -2.338 -5.005 -7.267 1.00 0.21 H new ATOM 0 HD1 PHE B 37 -0.368 -5.822 -8.674 1.00 1.17 H new ATOM 0 HD2 PHE B 37 -3.972 -8.050 -8.226 1.00 1.22 H new ATOM 0 HE1 PHE B 37 0.174 -7.101 -10.697 1.00 1.21 H new ATOM 0 HE2 PHE B 37 -3.429 -9.336 -10.247 1.00 1.22 H new ATOM 0 HZ PHE B 37 -1.352 -8.867 -11.483 1.00 0.36 H new ATOM 1530 N VAL B 38 0.444 -7.187 -6.239 1.00 0.18 N ATOM 1531 CA VAL B 38 1.868 -6.964 -6.409 1.00 0.18 C ATOM 1532 C VAL B 38 2.283 -7.164 -7.856 1.00 0.24 C ATOM 1533 O VAL B 38 2.035 -8.209 -8.459 1.00 0.30 O ATOM 1534 CB VAL B 38 2.717 -7.833 -5.458 1.00 0.24 C ATOM 1535 CG1 VAL B 38 2.343 -9.303 -5.546 1.00 0.34 C ATOM 1536 CG2 VAL B 38 4.203 -7.644 -5.723 1.00 0.25 C ATOM 0 H VAL B 38 0.129 -8.141 -6.415 1.00 0.18 H new ATOM 0 HA VAL B 38 2.061 -5.925 -6.141 1.00 0.18 H new ATOM 0 HB VAL B 38 2.501 -7.498 -4.443 1.00 0.24 H new ATOM 0 HG11 VAL B 38 2.965 -9.878 -4.860 1.00 0.34 H new ATOM 0 HG12 VAL B 38 1.294 -9.428 -5.277 1.00 0.34 H new ATOM 0 HG13 VAL B 38 2.501 -9.658 -6.564 1.00 0.34 H new ATOM 0 HG21 VAL B 38 4.777 -8.268 -5.038 1.00 0.25 H new ATOM 0 HG22 VAL B 38 4.429 -7.930 -6.750 1.00 0.25 H new ATOM 0 HG23 VAL B 38 4.470 -6.598 -5.570 1.00 0.25 H new ATOM 1546 N ASP B 39 2.894 -6.132 -8.401 1.00 0.27 N ATOM 1547 CA ASP B 39 3.315 -6.115 -9.789 1.00 0.34 C ATOM 1548 C ASP B 39 4.827 -6.186 -9.860 1.00 0.35 C ATOM 1549 O ASP B 39 5.498 -5.161 -9.783 1.00 0.30 O ATOM 1550 CB ASP B 39 2.827 -4.824 -10.455 1.00 0.35 C ATOM 1551 CG ASP B 39 3.081 -4.785 -11.950 1.00 0.52 C ATOM 1552 OD1 ASP B 39 4.202 -4.421 -12.364 1.00 1.35 O ATOM 1553 OD2 ASP B 39 2.147 -5.080 -12.718 1.00 1.08 O ATOM 0 H ASP B 39 3.114 -5.276 -7.892 1.00 0.27 H new ATOM 0 HA ASP B 39 2.889 -6.973 -10.309 1.00 0.34 H new ATOM 0 HB2 ASP B 39 1.758 -4.711 -10.272 1.00 0.35 H new ATOM 0 HB3 ASP B 39 3.322 -3.973 -9.987 1.00 0.35 H new ATOM 1558 N GLY B 40 5.352 -7.398 -9.985 1.00 0.43 N ATOM 1559 CA GLY B 40 6.791 -7.603 -10.024 1.00 0.48 C ATOM 1560 C GLY B 40 7.498 -7.108 -8.772 1.00 0.42 C ATOM 1561 O GLY B 40 7.756 -7.874 -7.844 1.00 0.47 O ATOM 0 H GLY B 40 4.801 -8.253 -10.061 1.00 0.43 H new ATOM 0 HA2 GLY B 40 6.997 -8.665 -10.155 1.00 0.48 H new ATOM 0 HA3 GLY B 40 7.202 -7.089 -10.893 1.00 0.48 H new ATOM 1565 N ASP B 41 7.796 -5.820 -8.755 1.00 0.34 N ATOM 1566 CA ASP B 41 8.516 -5.191 -7.657 1.00 0.31 C ATOM 1567 C ASP B 41 7.720 -3.992 -7.166 1.00 0.22 C ATOM 1568 O ASP B 41 8.267 -3.048 -6.603 1.00 0.26 O ATOM 1569 CB ASP B 41 9.891 -4.721 -8.131 1.00 0.38 C ATOM 1570 CG ASP B 41 10.698 -5.814 -8.807 1.00 1.04 C ATOM 1571 OD1 ASP B 41 11.306 -6.645 -8.103 1.00 1.81 O ATOM 1572 OD2 ASP B 41 10.730 -5.843 -10.058 1.00 1.74 O ATOM 0 H ASP B 41 7.545 -5.177 -9.506 1.00 0.34 H new ATOM 0 HA ASP B 41 8.645 -5.913 -6.851 1.00 0.31 H new ATOM 0 HB2 ASP B 41 9.764 -3.890 -8.825 1.00 0.38 H new ATOM 0 HB3 ASP B 41 10.451 -4.340 -7.277 1.00 0.38 H new ATOM 1577 N LYS B 42 6.427 -4.036 -7.417 1.00 0.18 N ATOM 1578 CA LYS B 42 5.542 -2.924 -7.120 1.00 0.13 C ATOM 1579 C LYS B 42 4.283 -3.404 -6.402 1.00 0.11 C ATOM 1580 O LYS B 42 3.918 -4.568 -6.497 1.00 0.15 O ATOM 1581 CB LYS B 42 5.208 -2.227 -8.440 1.00 0.12 C ATOM 1582 CG LYS B 42 3.841 -1.579 -8.501 1.00 0.14 C ATOM 1583 CD LYS B 42 3.682 -0.778 -9.779 1.00 0.33 C ATOM 1584 CE LYS B 42 4.242 -1.533 -10.977 1.00 0.75 C ATOM 1585 NZ LYS B 42 3.925 -0.866 -12.267 1.00 0.55 N ATOM 0 H LYS B 42 5.959 -4.842 -7.832 1.00 0.18 H new ATOM 0 HA LYS B 42 6.031 -2.220 -6.447 1.00 0.13 H new ATOM 0 HB2 LYS B 42 5.963 -1.464 -8.630 1.00 0.12 H new ATOM 0 HB3 LYS B 42 5.282 -2.957 -9.246 1.00 0.12 H new ATOM 0 HG2 LYS B 42 3.068 -2.345 -8.448 1.00 0.14 H new ATOM 0 HG3 LYS B 42 3.704 -0.927 -7.638 1.00 0.14 H new ATOM 0 HD2 LYS B 42 2.627 -0.559 -9.945 1.00 0.33 H new ATOM 0 HD3 LYS B 42 4.194 0.179 -9.677 1.00 0.33 H new ATOM 0 HE2 LYS B 42 5.323 -1.622 -10.873 1.00 0.75 H new ATOM 0 HE3 LYS B 42 3.838 -2.545 -10.986 1.00 0.75 H new ATOM 0 HZ1 LYS B 42 4.327 -1.418 -13.051 1.00 0.55 H new ATOM 0 HZ2 LYS B 42 2.893 -0.804 -12.381 1.00 0.55 H new ATOM 0 HZ3 LYS B 42 4.332 0.091 -12.272 1.00 0.55 H new ATOM 1599 N ILE B 43 3.633 -2.507 -5.676 1.00 0.09 N ATOM 1600 CA ILE B 43 2.416 -2.836 -4.950 1.00 0.08 C ATOM 1601 C ILE B 43 1.276 -1.957 -5.454 1.00 0.06 C ATOM 1602 O ILE B 43 1.499 -0.821 -5.864 1.00 0.07 O ATOM 1603 CB ILE B 43 2.621 -2.615 -3.437 1.00 0.09 C ATOM 1604 CG1 ILE B 43 3.812 -3.440 -2.945 1.00 0.15 C ATOM 1605 CG2 ILE B 43 1.366 -2.947 -2.645 1.00 0.10 C ATOM 1606 CD1 ILE B 43 3.564 -4.937 -2.928 1.00 0.22 C ATOM 0 H ILE B 43 3.932 -1.537 -5.574 1.00 0.09 H new ATOM 0 HA ILE B 43 2.170 -3.885 -5.118 1.00 0.08 H new ATOM 0 HB ILE B 43 2.832 -1.558 -3.275 1.00 0.09 H new ATOM 0 HG12 ILE B 43 4.672 -3.232 -3.582 1.00 0.15 H new ATOM 0 HG13 ILE B 43 4.075 -3.115 -1.938 1.00 0.15 H new ATOM 0 HG21 ILE B 43 1.550 -2.779 -1.584 1.00 0.10 H new ATOM 0 HG22 ILE B 43 0.547 -2.309 -2.977 1.00 0.10 H new ATOM 0 HG23 ILE B 43 1.100 -3.992 -2.806 1.00 0.10 H new ATOM 0 HD11 ILE B 43 4.456 -5.449 -2.567 1.00 0.22 H new ATOM 0 HD12 ILE B 43 2.726 -5.159 -2.268 1.00 0.22 H new ATOM 0 HD13 ILE B 43 3.332 -5.279 -3.937 1.00 0.22 H new ATOM 1618 N ILE B 44 0.073 -2.499 -5.447 1.00 0.07 N ATOM 1619 CA ILE B 44 -1.110 -1.801 -5.926 1.00 0.08 C ATOM 1620 C ILE B 44 -2.222 -1.924 -4.894 1.00 0.10 C ATOM 1621 O ILE B 44 -2.457 -3.007 -4.381 1.00 0.20 O ATOM 1622 CB ILE B 44 -1.595 -2.400 -7.265 1.00 0.11 C ATOM 1623 CG1 ILE B 44 -0.455 -2.398 -8.290 1.00 0.10 C ATOM 1624 CG2 ILE B 44 -2.803 -1.634 -7.789 1.00 0.16 C ATOM 1625 CD1 ILE B 44 -0.838 -2.970 -9.637 1.00 0.14 C ATOM 0 H ILE B 44 -0.115 -3.442 -5.107 1.00 0.07 H new ATOM 0 HA ILE B 44 -0.854 -0.753 -6.081 1.00 0.08 H new ATOM 0 HB ILE B 44 -1.901 -3.432 -7.096 1.00 0.11 H new ATOM 0 HG12 ILE B 44 -0.105 -1.375 -8.427 1.00 0.10 H new ATOM 0 HG13 ILE B 44 0.382 -2.970 -7.889 1.00 0.10 H new ATOM 0 HG21 ILE B 44 -3.130 -2.071 -8.733 1.00 0.16 H new ATOM 0 HG22 ILE B 44 -3.614 -1.692 -7.063 1.00 0.16 H new ATOM 0 HG23 ILE B 44 -2.531 -0.590 -7.947 1.00 0.16 H new ATOM 0 HD11 ILE B 44 0.022 -2.933 -10.306 1.00 0.14 H new ATOM 0 HD12 ILE B 44 -1.159 -4.005 -9.515 1.00 0.14 H new ATOM 0 HD13 ILE B 44 -1.654 -2.385 -10.062 1.00 0.14 H new ATOM 1637 N LEU B 45 -2.907 -0.834 -4.575 1.00 0.08 N ATOM 1638 CA LEU B 45 -3.948 -0.878 -3.555 1.00 0.09 C ATOM 1639 C LEU B 45 -5.254 -0.329 -4.094 1.00 0.12 C ATOM 1640 O LEU B 45 -5.267 0.702 -4.771 1.00 0.19 O ATOM 1641 CB LEU B 45 -3.549 -0.085 -2.302 1.00 0.13 C ATOM 1642 CG LEU B 45 -2.628 -0.809 -1.314 1.00 0.16 C ATOM 1643 CD1 LEU B 45 -1.236 -0.982 -1.885 1.00 0.13 C ATOM 1644 CD2 LEU B 45 -2.564 -0.062 0.006 1.00 0.26 C ATOM 0 H LEU B 45 -2.764 0.082 -5.001 1.00 0.08 H new ATOM 0 HA LEU B 45 -4.077 -1.925 -3.280 1.00 0.09 H new ATOM 0 HB2 LEU B 45 -3.057 0.835 -2.619 1.00 0.13 H new ATOM 0 HB3 LEU B 45 -4.458 0.205 -1.775 1.00 0.13 H new ATOM 0 HG LEU B 45 -3.048 -1.799 -1.137 1.00 0.16 H new ATOM 0 HD11 LEU B 45 -0.607 -1.499 -1.160 1.00 0.13 H new ATOM 0 HD12 LEU B 45 -1.289 -1.568 -2.802 1.00 0.13 H new ATOM 0 HD13 LEU B 45 -0.808 -0.004 -2.104 1.00 0.13 H new ATOM 0 HD21 LEU B 45 -1.905 -0.593 0.693 1.00 0.26 H new ATOM 0 HD22 LEU B 45 -2.178 0.943 -0.163 1.00 0.26 H new ATOM 0 HD23 LEU B 45 -3.563 0.001 0.437 1.00 0.26 H new ATOM 1656 N LYS B 46 -6.342 -1.035 -3.814 1.00 0.11 N ATOM 1657 CA LYS B 46 -7.675 -0.570 -4.165 1.00 0.19 C ATOM 1658 C LYS B 46 -8.704 -1.169 -3.220 1.00 0.19 C ATOM 1659 O LYS B 46 -8.474 -2.225 -2.634 1.00 0.34 O ATOM 1660 CB LYS B 46 -8.007 -0.931 -5.614 1.00 0.40 C ATOM 1661 CG LYS B 46 -7.555 -2.326 -6.003 1.00 0.92 C ATOM 1662 CD LYS B 46 -8.193 -2.780 -7.300 1.00 0.98 C ATOM 1663 CE LYS B 46 -9.682 -2.993 -7.124 1.00 0.88 C ATOM 1664 NZ LYS B 46 -10.274 -3.718 -8.279 1.00 1.20 N ATOM 0 H LYS B 46 -6.325 -1.939 -3.341 1.00 0.11 H new ATOM 0 HA LYS B 46 -7.701 0.515 -4.069 1.00 0.19 H new ATOM 0 HB2 LYS B 46 -9.084 -0.850 -5.764 1.00 0.40 H new ATOM 0 HB3 LYS B 46 -7.538 -0.206 -6.279 1.00 0.40 H new ATOM 0 HG2 LYS B 46 -6.470 -2.342 -6.106 1.00 0.92 H new ATOM 0 HG3 LYS B 46 -7.810 -3.026 -5.207 1.00 0.92 H new ATOM 0 HD2 LYS B 46 -8.017 -2.036 -8.077 1.00 0.98 H new ATOM 0 HD3 LYS B 46 -7.726 -3.706 -7.635 1.00 0.98 H new ATOM 0 HE2 LYS B 46 -9.863 -3.557 -6.209 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -10.176 -2.029 -7.008 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -11.294 -3.845 -8.123 1.00 1.20 H new ATOM 0 HZ2 LYS B 46 -10.123 -3.168 -9.149 1.00 1.20 H new ATOM 0 HZ3 LYS B 46 -9.820 -4.649 -8.375 1.00 1.20 H new ATOM 1678 N LYS B 47 -9.820 -0.481 -3.067 1.00 0.16 N ATOM 1679 CA LYS B 47 -10.892 -0.926 -2.183 1.00 0.18 C ATOM 1680 C LYS B 47 -11.481 -2.245 -2.695 1.00 0.21 C ATOM 1681 O LYS B 47 -11.480 -2.508 -3.897 1.00 0.28 O ATOM 1682 CB LYS B 47 -11.962 0.171 -2.106 1.00 0.25 C ATOM 1683 CG LYS B 47 -12.765 0.210 -0.808 1.00 0.27 C ATOM 1684 CD LYS B 47 -13.899 -0.794 -0.799 1.00 0.32 C ATOM 1685 CE LYS B 47 -14.878 -0.515 0.327 1.00 0.42 C ATOM 1686 NZ LYS B 47 -15.352 0.893 0.307 1.00 0.76 N ATOM 0 H LYS B 47 -10.013 0.398 -3.547 1.00 0.16 H new ATOM 0 HA LYS B 47 -10.501 -1.105 -1.181 1.00 0.18 H new ATOM 0 HB2 LYS B 47 -11.478 1.138 -2.244 1.00 0.25 H new ATOM 0 HB3 LYS B 47 -12.654 0.040 -2.938 1.00 0.25 H new ATOM 0 HG2 LYS B 47 -12.101 0.011 0.033 1.00 0.27 H new ATOM 0 HG3 LYS B 47 -13.170 1.212 -0.664 1.00 0.27 H new ATOM 0 HD2 LYS B 47 -14.423 -0.762 -1.754 1.00 0.32 H new ATOM 0 HD3 LYS B 47 -13.495 -1.800 -0.691 1.00 0.32 H new ATOM 0 HE2 LYS B 47 -15.732 -1.188 0.242 1.00 0.42 H new ATOM 0 HE3 LYS B 47 -14.401 -0.725 1.284 1.00 0.42 H new ATOM 0 HZ1 LYS B 47 -16.094 1.020 1.025 1.00 0.76 H new ATOM 0 HZ2 LYS B 47 -14.557 1.530 0.514 1.00 0.76 H new ATOM 0 HZ3 LYS B 47 -15.738 1.116 -0.633 1.00 0.76 H new ATOM 1700 N TYR B 48 -11.981 -3.067 -1.779 1.00 0.20 N ATOM 1701 CA TYR B 48 -12.450 -4.408 -2.121 1.00 0.25 C ATOM 1702 C TYR B 48 -13.785 -4.369 -2.857 1.00 0.35 C ATOM 1703 O TYR B 48 -13.934 -4.973 -3.919 1.00 0.38 O ATOM 1704 CB TYR B 48 -12.601 -5.247 -0.853 1.00 0.33 C ATOM 1705 CG TYR B 48 -12.964 -6.691 -1.123 1.00 0.41 C ATOM 1706 CD1 TYR B 48 -12.040 -7.563 -1.682 1.00 1.30 C ATOM 1707 CD2 TYR B 48 -14.229 -7.180 -0.824 1.00 1.05 C ATOM 1708 CE1 TYR B 48 -12.367 -8.880 -1.938 1.00 1.37 C ATOM 1709 CE2 TYR B 48 -14.562 -8.499 -1.075 1.00 1.08 C ATOM 1710 CZ TYR B 48 -13.628 -9.343 -1.633 1.00 0.63 C ATOM 1711 OH TYR B 48 -13.956 -10.655 -1.890 1.00 0.76 O ATOM 0 H TYR B 48 -12.073 -2.829 -0.791 1.00 0.20 H new ATOM 0 HA TYR B 48 -11.708 -4.856 -2.782 1.00 0.25 H new ATOM 0 HB2 TYR B 48 -11.667 -5.214 -0.292 1.00 0.33 H new ATOM 0 HB3 TYR B 48 -13.368 -4.800 -0.221 1.00 0.33 H new ATOM 0 HD1 TYR B 48 -11.049 -7.206 -1.921 1.00 1.30 H new ATOM 0 HD2 TYR B 48 -14.965 -6.520 -0.389 1.00 1.05 H new ATOM 0 HE1 TYR B 48 -11.637 -9.545 -2.376 1.00 1.37 H new ATOM 0 HE2 TYR B 48 -15.549 -8.865 -0.835 1.00 1.08 H new ATOM 0 HH TYR B 48 -14.882 -10.820 -1.616 1.00 0.76 H new ATOM 1721 N LYS B 49 -14.749 -3.669 -2.263 1.00 0.47 N ATOM 1722 CA LYS B 49 -16.112 -3.580 -2.801 1.00 0.65 C ATOM 1723 C LYS B 49 -16.143 -3.307 -4.316 1.00 0.73 C ATOM 1724 O LYS B 49 -16.793 -4.051 -5.053 1.00 0.85 O ATOM 1725 CB LYS B 49 -16.917 -2.522 -2.032 1.00 0.75 C ATOM 1726 CG LYS B 49 -18.334 -2.324 -2.549 1.00 1.04 C ATOM 1727 CD LYS B 49 -19.078 -3.644 -2.660 1.00 1.62 C ATOM 1728 CE LYS B 49 -20.462 -3.457 -3.255 1.00 2.34 C ATOM 1729 NZ LYS B 49 -21.075 -4.754 -3.636 1.00 3.00 N ATOM 0 H LYS B 49 -14.612 -3.147 -1.397 1.00 0.47 H new ATOM 0 HA LYS B 49 -16.577 -4.556 -2.660 1.00 0.65 H new ATOM 0 HB2 LYS B 49 -16.962 -2.808 -0.981 1.00 0.75 H new ATOM 0 HB3 LYS B 49 -16.387 -1.571 -2.082 1.00 0.75 H new ATOM 0 HG2 LYS B 49 -18.876 -1.655 -1.880 1.00 1.04 H new ATOM 0 HG3 LYS B 49 -18.302 -1.841 -3.525 1.00 1.04 H new ATOM 0 HD2 LYS B 49 -18.505 -4.334 -3.279 1.00 1.62 H new ATOM 0 HD3 LYS B 49 -19.164 -4.098 -1.673 1.00 1.62 H new ATOM 0 HE2 LYS B 49 -21.103 -2.949 -2.534 1.00 2.34 H new ATOM 0 HE3 LYS B 49 -20.397 -2.813 -4.132 1.00 2.34 H new ATOM 0 HZ1 LYS B 49 -22.019 -4.587 -4.039 1.00 3.00 H new ATOM 0 HZ2 LYS B 49 -20.476 -5.227 -4.343 1.00 3.00 H new ATOM 0 HZ3 LYS B 49 -21.160 -5.359 -2.794 1.00 3.00 H new ATOM 1743 N PRO B 50 -15.470 -2.252 -4.818 1.00 0.72 N ATOM 1744 CA PRO B 50 -15.362 -2.034 -6.260 1.00 0.88 C ATOM 1745 C PRO B 50 -14.441 -3.060 -6.920 1.00 0.96 C ATOM 1746 O PRO B 50 -13.241 -2.825 -7.091 1.00 1.49 O ATOM 1747 CB PRO B 50 -14.786 -0.623 -6.381 1.00 0.94 C ATOM 1748 CG PRO B 50 -14.066 -0.392 -5.097 1.00 0.92 C ATOM 1749 CD PRO B 50 -14.804 -1.183 -4.052 1.00 0.62 C ATOM 0 HA PRO B 50 -16.322 -2.143 -6.764 1.00 0.88 H new ATOM 0 HB2 PRO B 50 -14.110 -0.544 -7.233 1.00 0.94 H new ATOM 0 HB3 PRO B 50 -15.575 0.114 -6.530 1.00 0.94 H new ATOM 0 HG2 PRO B 50 -13.028 -0.716 -5.169 1.00 0.92 H new ATOM 0 HG3 PRO B 50 -14.052 0.668 -4.844 1.00 0.92 H new ATOM 0 HD2 PRO B 50 -14.123 -1.592 -3.306 1.00 0.62 H new ATOM 0 HD3 PRO B 50 -15.526 -0.564 -3.519 1.00 0.62 H new ATOM 1757 N HIS B 51 -14.998 -4.215 -7.260 1.00 1.41 N ATOM 1758 CA HIS B 51 -14.212 -5.266 -7.880 1.00 1.55 C ATOM 1759 C HIS B 51 -14.880 -5.792 -9.142 1.00 1.83 C ATOM 1760 O HIS B 51 -15.892 -5.261 -9.600 1.00 2.39 O ATOM 1761 CB HIS B 51 -13.899 -6.412 -6.896 1.00 2.03 C ATOM 1762 CG HIS B 51 -15.084 -7.191 -6.397 1.00 2.93 C ATOM 1763 ND1 HIS B 51 -15.498 -8.385 -6.959 1.00 3.73 N ATOM 1764 CD2 HIS B 51 -15.919 -6.961 -5.359 1.00 3.63 C ATOM 1765 CE1 HIS B 51 -16.529 -8.853 -6.279 1.00 4.57 C ATOM 1766 NE2 HIS B 51 -16.804 -8.005 -5.305 1.00 4.53 N ATOM 0 H HIS B 51 -15.982 -4.444 -7.118 1.00 1.41 H new ATOM 0 HA HIS B 51 -13.260 -4.820 -8.168 1.00 1.55 H new ATOM 0 HB2 HIS B 51 -13.212 -7.105 -7.382 1.00 2.03 H new ATOM 0 HB3 HIS B 51 -13.375 -5.994 -6.036 1.00 2.03 H new ATOM 0 HD2 HIS B 51 -15.893 -6.110 -4.694 1.00 3.63 H new ATOM 0 HE1 HIS B 51 -17.057 -9.772 -6.485 1.00 4.57 H new ATOM 0 HE2 HIS B 51 -17.555 -8.110 -4.622 1.00 4.53 H new ATOM 1775 N GLY B 52 -14.295 -6.841 -9.678 1.00 2.12 N ATOM 1776 CA GLY B 52 -14.628 -7.320 -10.999 1.00 2.80 C ATOM 1777 C GLY B 52 -13.352 -7.678 -11.694 1.00 2.86 C ATOM 1778 O GLY B 52 -13.077 -8.842 -11.987 1.00 3.07 O ATOM 0 H GLY B 52 -13.573 -7.386 -9.207 1.00 2.12 H new ATOM 0 HA2 GLY B 52 -15.284 -8.188 -10.936 1.00 2.80 H new ATOM 0 HA3 GLY B 52 -15.165 -6.554 -11.558 1.00 2.80 H new ATOM 1782 N VAL B 53 -12.569 -6.650 -11.934 1.00 3.08 N ATOM 1783 CA VAL B 53 -11.162 -6.806 -12.204 1.00 3.27 C ATOM 1784 C VAL B 53 -10.435 -6.830 -10.859 1.00 2.62 C ATOM 1785 O VAL B 53 -10.837 -6.132 -9.921 1.00 2.40 O ATOM 1786 CB VAL B 53 -10.621 -5.661 -13.093 1.00 4.11 C ATOM 1787 CG1 VAL B 53 -10.821 -4.306 -12.432 1.00 4.23 C ATOM 1788 CG2 VAL B 53 -9.157 -5.887 -13.428 1.00 4.58 C ATOM 0 H VAL B 53 -12.892 -5.683 -11.947 1.00 3.08 H new ATOM 0 HA VAL B 53 -10.994 -7.733 -12.752 1.00 3.27 H new ATOM 0 HB VAL B 53 -11.190 -5.664 -14.023 1.00 4.11 H new ATOM 0 HG11 VAL B 53 -10.430 -3.523 -13.082 1.00 4.23 H new ATOM 0 HG12 VAL B 53 -11.884 -4.138 -12.260 1.00 4.23 H new ATOM 0 HG13 VAL B 53 -10.292 -4.284 -11.479 1.00 4.23 H new ATOM 0 HG21 VAL B 53 -8.797 -5.070 -14.054 1.00 4.58 H new ATOM 0 HG22 VAL B 53 -8.574 -5.923 -12.507 1.00 4.58 H new ATOM 0 HG23 VAL B 53 -9.048 -6.830 -13.964 1.00 4.58 H new ATOM 1798 N CYS B 54 -9.409 -7.654 -10.754 1.00 2.56 N ATOM 1799 CA CYS B 54 -8.698 -7.842 -9.495 1.00 1.99 C ATOM 1800 C CYS B 54 -8.015 -6.556 -9.038 1.00 2.09 C ATOM 1801 O CYS B 54 -8.595 -5.843 -8.189 1.00 2.54 O ATOM 1802 CB CYS B 54 -7.677 -8.967 -9.639 1.00 2.24 C ATOM 1803 SG CYS B 54 -8.420 -10.580 -9.976 1.00 3.21 S ATOM 1804 OXT CYS B 54 -6.906 -6.262 -9.526 1.00 2.48 O ATOM 0 H CYS B 54 -9.045 -8.209 -11.529 1.00 2.56 H new ATOM 0 HA CYS B 54 -9.427 -8.114 -8.732 1.00 1.99 H new ATOM 0 HB2 CYS B 54 -6.987 -8.719 -10.445 1.00 2.24 H new ATOM 0 HB3 CYS B 54 -7.088 -9.032 -8.724 1.00 2.24 H new ATOM 0 HG CYS B 54 -7.483 -11.475 -10.086 1.00 3.21 H new TER 1810 CYS B 54