USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 946 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= 1.14 (180deg=0.879) USER MOD Single : A 2 LYS NZ :NH3+ -153:sc= 1.07 (180deg=0.0764) USER MOD Single : A 3 SER OG : rot 140:sc= -0.347 USER MOD Single : A 9 LYS NZ :NH3+ 171:sc= -0.0036 (180deg=-0.093) USER MOD Single : A 18 MET CE :methyl -148:sc= -2.45 (180deg=-4.72!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 8:sc= 0.502 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 151:sc= 1.06 (180deg=-0.0413) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= 1.43 (180deg=0.648) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 130:sc= -0.0951 (180deg=-0.594) USER MOD Single : A 51 HIS : no HE2:sc= 1.13 K(o=1.1,f=-5.3!) USER MOD Single : A 54 CYS SG : rot 38:sc= -1.27 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 179:sc= 0.695 (180deg=0.694) USER MOD Single : B 2 LYS NZ :NH3+ -161:sc= 1.09 (180deg=0.353) USER MOD Single : B 3 SER OG : rot 140:sc= 0.203 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 MET CE :methyl 149:sc= -0.94 (180deg=-2.92!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot 26:sc= 0.214 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ 147:sc= 0.793 (180deg=-1.67!) USER MOD Single : B 47 LYS NZ :NH3+ -179:sc= 0.603 (180deg=0.581) USER MOD Single : B 48 TYR OH : rot 180:sc=-0.000451 USER MOD Single : B 49 LYS NZ :NH3+ 171:sc= -0.0275 (180deg=-0.15) USER MOD Single : B 51 HIS : no HE2:sc= 1.08 K(o=1.1,f=-4.9!) USER MOD Single : B 54 CYS SG : rot 39:sc= -0.632 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.089 -13.419 -8.766 1.00 2.66 N ATOM 2 CA MET A 1 -7.864 -13.862 -8.065 1.00 2.32 C ATOM 3 C MET A 1 -6.852 -12.727 -8.021 1.00 1.80 C ATOM 4 O MET A 1 -6.645 -12.022 -9.011 1.00 2.36 O ATOM 5 CB MET A 1 -7.269 -15.106 -8.739 1.00 2.85 C ATOM 6 CG MET A 1 -6.926 -14.925 -10.208 1.00 3.24 C ATOM 7 SD MET A 1 -6.345 -16.457 -10.963 1.00 3.98 S ATOM 8 CE MET A 1 -5.987 -15.893 -12.625 1.00 4.57 C ATOM 0 H1 MET A 1 -9.719 -14.233 -8.912 1.00 2.66 H new ATOM 0 H2 MET A 1 -9.577 -12.702 -8.192 1.00 2.66 H new ATOM 0 H3 MET A 1 -8.833 -13.010 -9.687 1.00 2.66 H new ATOM 0 HA MET A 1 -8.124 -14.134 -7.042 1.00 2.32 H new ATOM 0 HB2 MET A 1 -6.367 -15.398 -8.202 1.00 2.85 H new ATOM 0 HB3 MET A 1 -7.977 -15.929 -8.643 1.00 2.85 H new ATOM 0 HG2 MET A 1 -7.806 -14.568 -10.744 1.00 3.24 H new ATOM 0 HG3 MET A 1 -6.158 -14.158 -10.309 1.00 3.24 H new ATOM 0 HE1 MET A 1 -5.616 -16.727 -13.220 1.00 4.57 H new ATOM 0 HE2 MET A 1 -6.896 -15.499 -13.079 1.00 4.57 H new ATOM 0 HE3 MET A 1 -5.230 -15.109 -12.588 1.00 4.57 H new ATOM 20 N LYS A 2 -6.236 -12.540 -6.866 1.00 1.18 N ATOM 21 CA LYS A 2 -5.279 -11.463 -6.686 1.00 0.75 C ATOM 22 C LYS A 2 -3.866 -12.010 -6.609 1.00 0.67 C ATOM 23 O LYS A 2 -3.647 -13.216 -6.686 1.00 1.02 O ATOM 24 CB LYS A 2 -5.586 -10.671 -5.416 1.00 0.88 C ATOM 25 CG LYS A 2 -6.196 -9.308 -5.674 1.00 0.85 C ATOM 26 CD LYS A 2 -5.286 -8.448 -6.531 1.00 1.06 C ATOM 27 CE LYS A 2 -5.882 -7.077 -6.779 1.00 1.13 C ATOM 28 NZ LYS A 2 -7.246 -7.171 -7.358 1.00 1.88 N ATOM 0 H LYS A 2 -6.382 -13.120 -6.040 1.00 1.18 H new ATOM 0 HA LYS A 2 -5.360 -10.800 -7.547 1.00 0.75 H new ATOM 0 HB2 LYS A 2 -6.267 -11.251 -4.794 1.00 0.88 H new ATOM 0 HB3 LYS A 2 -4.665 -10.544 -4.847 1.00 0.88 H new ATOM 0 HG2 LYS A 2 -7.160 -9.427 -6.169 1.00 0.85 H new ATOM 0 HG3 LYS A 2 -6.385 -8.807 -4.725 1.00 0.85 H new ATOM 0 HD2 LYS A 2 -4.318 -8.341 -6.041 1.00 1.06 H new ATOM 0 HD3 LYS A 2 -5.107 -8.945 -7.484 1.00 1.06 H new ATOM 0 HE2 LYS A 2 -5.921 -6.522 -5.842 1.00 1.13 H new ATOM 0 HE3 LYS A 2 -5.237 -6.516 -7.455 1.00 1.13 H new ATOM 0 HZ1 LYS A 2 -7.443 -6.320 -7.922 1.00 1.88 H new ATOM 0 HZ2 LYS A 2 -7.307 -8.012 -7.967 1.00 1.88 H new ATOM 0 HZ3 LYS A 2 -7.944 -7.247 -6.591 1.00 1.88 H new ATOM 42 N SER A 3 -2.910 -11.114 -6.452 1.00 0.47 N ATOM 43 CA SER A 3 -1.528 -11.515 -6.300 1.00 0.43 C ATOM 44 C SER A 3 -1.248 -11.859 -4.846 1.00 0.35 C ATOM 45 O SER A 3 -0.568 -12.835 -4.547 1.00 0.42 O ATOM 46 CB SER A 3 -0.597 -10.403 -6.779 1.00 0.48 C ATOM 47 OG SER A 3 0.754 -10.820 -6.780 1.00 0.84 O ATOM 0 H SER A 3 -3.066 -10.106 -6.427 1.00 0.47 H new ATOM 0 HA SER A 3 -1.345 -12.399 -6.911 1.00 0.43 H new ATOM 0 HB2 SER A 3 -0.884 -10.095 -7.784 1.00 0.48 H new ATOM 0 HB3 SER A 3 -0.709 -9.531 -6.134 1.00 0.48 H new ATOM 0 HG SER A 3 1.203 -10.472 -7.579 1.00 0.84 H new ATOM 53 N ILE A 4 -1.776 -11.041 -3.945 1.00 0.31 N ATOM 54 CA ILE A 4 -1.634 -11.293 -2.519 1.00 0.29 C ATOM 55 C ILE A 4 -2.961 -11.787 -1.952 1.00 0.30 C ATOM 56 O ILE A 4 -3.005 -12.521 -0.965 1.00 0.36 O ATOM 57 CB ILE A 4 -1.193 -10.026 -1.756 1.00 0.27 C ATOM 58 CG1 ILE A 4 -0.325 -9.132 -2.651 1.00 0.30 C ATOM 59 CG2 ILE A 4 -0.427 -10.427 -0.505 1.00 0.32 C ATOM 60 CD1 ILE A 4 0.142 -7.859 -1.975 1.00 0.27 C ATOM 0 H ILE A 4 -2.305 -10.200 -4.176 1.00 0.31 H new ATOM 0 HA ILE A 4 -0.862 -12.052 -2.390 1.00 0.29 H new ATOM 0 HB ILE A 4 -2.078 -9.459 -1.468 1.00 0.27 H new ATOM 0 HG12 ILE A 4 0.546 -9.699 -2.979 1.00 0.30 H new ATOM 0 HG13 ILE A 4 -0.891 -8.871 -3.545 1.00 0.30 H new ATOM 0 HG21 ILE A 4 -0.116 -9.532 0.034 1.00 0.32 H new ATOM 0 HG22 ILE A 4 -1.068 -11.032 0.136 1.00 0.32 H new ATOM 0 HG23 ILE A 4 0.453 -11.005 -0.787 1.00 0.32 H new ATOM 0 HD11 ILE A 4 0.750 -7.280 -2.670 1.00 0.27 H new ATOM 0 HD12 ILE A 4 -0.723 -7.270 -1.672 1.00 0.27 H new ATOM 0 HD13 ILE A 4 0.736 -8.110 -1.096 1.00 0.27 H new ATOM 72 N GLY A 5 -4.039 -11.370 -2.608 1.00 0.32 N ATOM 73 CA GLY A 5 -5.379 -11.783 -2.228 1.00 0.35 C ATOM 74 C GLY A 5 -5.777 -11.299 -0.853 1.00 0.31 C ATOM 75 O GLY A 5 -6.597 -11.926 -0.180 1.00 0.42 O ATOM 0 H GLY A 5 -4.006 -10.742 -3.411 1.00 0.32 H new ATOM 0 HA2 GLY A 5 -6.092 -11.405 -2.961 1.00 0.35 H new ATOM 0 HA3 GLY A 5 -5.440 -12.871 -2.256 1.00 0.35 H new ATOM 79 N VAL A 6 -5.220 -10.173 -0.440 1.00 0.22 N ATOM 80 CA VAL A 6 -5.472 -9.661 0.894 1.00 0.21 C ATOM 81 C VAL A 6 -6.088 -8.269 0.867 1.00 0.20 C ATOM 82 O VAL A 6 -5.761 -7.431 0.023 1.00 0.24 O ATOM 83 CB VAL A 6 -4.196 -9.628 1.761 1.00 0.21 C ATOM 84 CG1 VAL A 6 -3.743 -11.033 2.119 1.00 0.27 C ATOM 85 CG2 VAL A 6 -3.086 -8.880 1.050 1.00 0.19 C ATOM 0 H VAL A 6 -4.594 -9.600 -1.006 1.00 0.22 H new ATOM 0 HA VAL A 6 -6.183 -10.356 1.341 1.00 0.21 H new ATOM 0 HB VAL A 6 -4.433 -9.102 2.686 1.00 0.21 H new ATOM 0 HG11 VAL A 6 -2.842 -10.980 2.730 1.00 0.27 H new ATOM 0 HG12 VAL A 6 -4.531 -11.538 2.677 1.00 0.27 H new ATOM 0 HG13 VAL A 6 -3.530 -11.590 1.207 1.00 0.27 H new ATOM 0 HG21 VAL A 6 -2.195 -8.868 1.678 1.00 0.19 H new ATOM 0 HG22 VAL A 6 -2.859 -9.377 0.107 1.00 0.19 H new ATOM 0 HG23 VAL A 6 -3.405 -7.856 0.853 1.00 0.19 H new ATOM 95 N VAL A 7 -6.984 -8.065 1.818 1.00 0.17 N ATOM 96 CA VAL A 7 -7.636 -6.790 2.041 1.00 0.16 C ATOM 97 C VAL A 7 -7.479 -6.410 3.510 1.00 0.19 C ATOM 98 O VAL A 7 -7.486 -7.277 4.381 1.00 0.29 O ATOM 99 CB VAL A 7 -9.134 -6.826 1.641 1.00 0.17 C ATOM 100 CG1 VAL A 7 -9.864 -7.966 2.334 1.00 0.22 C ATOM 101 CG2 VAL A 7 -9.811 -5.498 1.946 1.00 0.16 C ATOM 0 H VAL A 7 -7.282 -8.794 2.466 1.00 0.17 H new ATOM 0 HA VAL A 7 -7.162 -6.040 1.408 1.00 0.16 H new ATOM 0 HB VAL A 7 -9.182 -6.998 0.566 1.00 0.17 H new ATOM 0 HG11 VAL A 7 -10.912 -7.964 2.033 1.00 0.22 H new ATOM 0 HG12 VAL A 7 -9.407 -8.915 2.052 1.00 0.22 H new ATOM 0 HG13 VAL A 7 -9.797 -7.838 3.414 1.00 0.22 H new ATOM 0 HG21 VAL A 7 -10.860 -5.550 1.656 1.00 0.16 H new ATOM 0 HG22 VAL A 7 -9.739 -5.290 3.013 1.00 0.16 H new ATOM 0 HG23 VAL A 7 -9.319 -4.702 1.387 1.00 0.16 H new ATOM 111 N ARG A 8 -7.304 -5.129 3.780 1.00 0.15 N ATOM 112 CA ARG A 8 -7.084 -4.657 5.131 1.00 0.16 C ATOM 113 C ARG A 8 -8.101 -3.601 5.478 1.00 0.15 C ATOM 114 O ARG A 8 -8.634 -2.935 4.596 1.00 0.16 O ATOM 115 CB ARG A 8 -5.670 -4.084 5.288 1.00 0.16 C ATOM 116 CG ARG A 8 -4.763 -4.966 6.125 1.00 0.25 C ATOM 117 CD ARG A 8 -4.741 -6.397 5.605 1.00 0.34 C ATOM 118 NE ARG A 8 -4.460 -7.361 6.668 1.00 0.81 N ATOM 119 CZ ARG A 8 -4.994 -8.583 6.734 1.00 0.85 C ATOM 120 NH1 ARG A 8 -5.856 -8.987 5.808 1.00 0.79 N ATOM 121 NH2 ARG A 8 -4.686 -9.387 7.743 1.00 1.43 N ATOM 0 H ARG A 8 -7.311 -4.393 3.074 1.00 0.15 H new ATOM 0 HA ARG A 8 -7.191 -5.503 5.810 1.00 0.16 H new ATOM 0 HB2 ARG A 8 -5.227 -3.949 4.301 1.00 0.16 H new ATOM 0 HB3 ARG A 8 -5.733 -3.097 5.747 1.00 0.16 H new ATOM 0 HG2 ARG A 8 -3.752 -4.560 6.118 1.00 0.25 H new ATOM 0 HG3 ARG A 8 -5.102 -4.959 7.161 1.00 0.25 H new ATOM 0 HD2 ARG A 8 -5.702 -6.631 5.148 1.00 0.34 H new ATOM 0 HD3 ARG A 8 -3.986 -6.488 4.824 1.00 0.34 H new ATOM 0 HE ARG A 8 -3.814 -7.082 7.407 1.00 0.81 H new ATOM 0 HH11 ARG A 8 -6.112 -8.363 5.043 1.00 0.79 H new ATOM 0 HH12 ARG A 8 -6.262 -9.921 5.862 1.00 0.79 H new ATOM 0 HH21 ARG A 8 -4.042 -9.072 8.468 1.00 1.43 H new ATOM 0 HH22 ARG A 8 -5.094 -10.321 7.794 1.00 1.43 H new ATOM 135 N LYS A 9 -8.398 -3.475 6.748 1.00 0.17 N ATOM 136 CA LYS A 9 -9.247 -2.403 7.206 1.00 0.18 C ATOM 137 C LYS A 9 -8.401 -1.362 7.912 1.00 0.20 C ATOM 138 O LYS A 9 -7.661 -1.681 8.846 1.00 0.24 O ATOM 139 CB LYS A 9 -10.354 -2.936 8.120 1.00 0.20 C ATOM 140 CG LYS A 9 -11.219 -4.013 7.472 1.00 0.21 C ATOM 141 CD LYS A 9 -11.722 -3.576 6.107 1.00 0.23 C ATOM 142 CE LYS A 9 -12.689 -4.583 5.500 1.00 0.67 C ATOM 143 NZ LYS A 9 -13.976 -4.651 6.243 1.00 1.22 N ATOM 0 H LYS A 9 -8.065 -4.100 7.482 1.00 0.17 H new ATOM 0 HA LYS A 9 -9.734 -1.938 6.349 1.00 0.18 H new ATOM 0 HB2 LYS A 9 -9.902 -3.342 9.025 1.00 0.20 H new ATOM 0 HB3 LYS A 9 -10.991 -2.106 8.426 1.00 0.20 H new ATOM 0 HG2 LYS A 9 -10.642 -4.932 7.371 1.00 0.21 H new ATOM 0 HG3 LYS A 9 -12.067 -4.238 8.119 1.00 0.21 H new ATOM 0 HD2 LYS A 9 -12.217 -2.609 6.197 1.00 0.23 H new ATOM 0 HD3 LYS A 9 -10.874 -3.439 5.436 1.00 0.23 H new ATOM 0 HE2 LYS A 9 -12.885 -4.314 4.462 1.00 0.67 H new ATOM 0 HE3 LYS A 9 -12.225 -5.569 5.492 1.00 0.67 H new ATOM 0 HZ1 LYS A 9 -14.654 -5.231 5.710 1.00 1.22 H new ATOM 0 HZ2 LYS A 9 -13.815 -5.078 7.178 1.00 1.22 H new ATOM 0 HZ3 LYS A 9 -14.359 -3.692 6.362 1.00 1.22 H new ATOM 157 N VAL A 10 -8.487 -0.131 7.427 1.00 0.19 N ATOM 158 CA VAL A 10 -7.703 0.974 7.959 1.00 0.19 C ATOM 159 C VAL A 10 -7.890 1.103 9.466 1.00 0.20 C ATOM 160 O VAL A 10 -8.971 0.843 9.991 1.00 0.22 O ATOM 161 CB VAL A 10 -8.085 2.307 7.261 1.00 0.21 C ATOM 162 CG1 VAL A 10 -7.647 3.514 8.073 1.00 0.26 C ATOM 163 CG2 VAL A 10 -7.471 2.382 5.878 1.00 0.24 C ATOM 0 H VAL A 10 -9.101 0.129 6.655 1.00 0.19 H new ATOM 0 HA VAL A 10 -6.653 0.761 7.758 1.00 0.19 H new ATOM 0 HB VAL A 10 -9.172 2.324 7.179 1.00 0.21 H new ATOM 0 HG11 VAL A 10 -7.933 4.427 7.551 1.00 0.26 H new ATOM 0 HG12 VAL A 10 -8.129 3.489 9.050 1.00 0.26 H new ATOM 0 HG13 VAL A 10 -6.565 3.493 8.201 1.00 0.26 H new ATOM 0 HG21 VAL A 10 -7.751 3.324 5.406 1.00 0.24 H new ATOM 0 HG22 VAL A 10 -6.385 2.325 5.958 1.00 0.24 H new ATOM 0 HG23 VAL A 10 -7.834 1.551 5.273 1.00 0.24 H new ATOM 173 N ASP A 11 -6.814 1.452 10.157 1.00 0.21 N ATOM 174 CA ASP A 11 -6.886 1.752 11.577 1.00 0.24 C ATOM 175 C ASP A 11 -7.887 2.881 11.816 1.00 0.25 C ATOM 176 O ASP A 11 -9.046 2.633 12.141 1.00 0.33 O ATOM 177 CB ASP A 11 -5.495 2.138 12.086 1.00 0.30 C ATOM 178 CG ASP A 11 -5.494 2.629 13.515 1.00 1.07 C ATOM 179 OD1 ASP A 11 -5.590 1.794 14.436 1.00 1.75 O ATOM 180 OD2 ASP A 11 -5.363 3.852 13.714 1.00 1.88 O ATOM 0 H ASP A 11 -5.880 1.534 9.755 1.00 0.21 H new ATOM 0 HA ASP A 11 -7.226 0.873 12.124 1.00 0.24 H new ATOM 0 HB2 ASP A 11 -4.834 1.275 12.006 1.00 0.30 H new ATOM 0 HB3 ASP A 11 -5.083 2.915 11.442 1.00 0.30 H new ATOM 185 N GLU A 12 -7.418 4.112 11.648 1.00 0.26 N ATOM 186 CA GLU A 12 -8.265 5.309 11.663 1.00 0.27 C ATOM 187 C GLU A 12 -7.572 6.387 10.846 1.00 0.26 C ATOM 188 O GLU A 12 -8.201 7.164 10.135 1.00 0.30 O ATOM 189 CB GLU A 12 -8.485 5.840 13.091 1.00 0.33 C ATOM 190 CG GLU A 12 -9.103 4.838 14.048 1.00 0.47 C ATOM 191 CD GLU A 12 -9.475 5.453 15.376 1.00 0.91 C ATOM 192 OE1 GLU A 12 -10.609 5.959 15.504 1.00 1.42 O ATOM 193 OE2 GLU A 12 -8.644 5.425 16.309 1.00 1.69 O ATOM 0 H GLU A 12 -6.430 4.314 11.496 1.00 0.26 H new ATOM 0 HA GLU A 12 -9.239 5.049 11.248 1.00 0.27 H new ATOM 0 HB2 GLU A 12 -7.527 6.166 13.495 1.00 0.33 H new ATOM 0 HB3 GLU A 12 -9.126 6.720 13.043 1.00 0.33 H new ATOM 0 HG2 GLU A 12 -9.993 4.406 13.590 1.00 0.47 H new ATOM 0 HG3 GLU A 12 -8.401 4.021 14.215 1.00 0.47 H new ATOM 200 N LEU A 13 -6.250 6.403 10.968 1.00 0.24 N ATOM 201 CA LEU A 13 -5.400 7.378 10.291 1.00 0.26 C ATOM 202 C LEU A 13 -5.125 6.964 8.849 1.00 0.26 C ATOM 203 O LEU A 13 -4.682 7.769 8.030 1.00 0.55 O ATOM 204 CB LEU A 13 -4.064 7.462 11.024 1.00 0.40 C ATOM 205 CG LEU A 13 -4.148 7.604 12.539 1.00 0.38 C ATOM 206 CD1 LEU A 13 -2.817 7.217 13.160 1.00 0.71 C ATOM 207 CD2 LEU A 13 -4.529 9.027 12.921 1.00 0.55 C ATOM 0 H LEU A 13 -5.734 5.737 11.542 1.00 0.24 H new ATOM 0 HA LEU A 13 -5.915 8.339 10.293 1.00 0.26 H new ATOM 0 HB2 LEU A 13 -3.487 6.566 10.793 1.00 0.40 H new ATOM 0 HB3 LEU A 13 -3.506 8.311 10.628 1.00 0.40 H new ATOM 0 HG LEU A 13 -4.922 6.937 12.919 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -2.878 7.319 14.244 1.00 0.71 H new ATOM 0 HD12 LEU A 13 -2.583 6.183 12.905 1.00 0.71 H new ATOM 0 HD13 LEU A 13 -2.033 7.871 12.778 1.00 0.71 H new ATOM 0 HD21 LEU A 13 -4.584 9.110 14.006 1.00 0.55 H new ATOM 0 HD22 LEU A 13 -3.777 9.719 12.542 1.00 0.55 H new ATOM 0 HD23 LEU A 13 -5.499 9.273 12.488 1.00 0.55 H new ATOM 219 N GLY A 14 -5.381 5.701 8.552 1.00 0.21 N ATOM 220 CA GLY A 14 -5.008 5.148 7.266 1.00 0.16 C ATOM 221 C GLY A 14 -3.973 4.050 7.415 1.00 0.12 C ATOM 222 O GLY A 14 -3.544 3.448 6.438 1.00 0.11 O ATOM 0 H GLY A 14 -5.843 5.045 9.181 1.00 0.21 H new ATOM 0 HA2 GLY A 14 -5.893 4.751 6.769 1.00 0.16 H new ATOM 0 HA3 GLY A 14 -4.612 5.939 6.629 1.00 0.16 H new ATOM 226 N ARG A 15 -3.582 3.777 8.652 1.00 0.12 N ATOM 227 CA ARG A 15 -2.530 2.803 8.917 1.00 0.13 C ATOM 228 C ARG A 15 -3.062 1.386 8.741 1.00 0.11 C ATOM 229 O ARG A 15 -4.056 1.012 9.366 1.00 0.13 O ATOM 230 CB ARG A 15 -1.983 2.973 10.341 1.00 0.17 C ATOM 231 CG ARG A 15 -1.788 4.423 10.754 1.00 0.21 C ATOM 232 CD ARG A 15 -0.946 4.545 12.015 1.00 0.28 C ATOM 233 NE ARG A 15 0.359 3.895 11.865 1.00 1.31 N ATOM 234 CZ ARG A 15 1.220 3.697 12.865 1.00 1.71 C ATOM 235 NH1 ARG A 15 0.909 4.053 14.108 1.00 1.58 N ATOM 236 NH2 ARG A 15 2.400 3.142 12.617 1.00 2.72 N ATOM 0 H ARG A 15 -3.975 4.214 9.486 1.00 0.12 H new ATOM 0 HA ARG A 15 -1.723 2.974 8.205 1.00 0.13 H new ATOM 0 HB2 ARG A 15 -2.666 2.494 11.042 1.00 0.17 H new ATOM 0 HB3 ARG A 15 -1.029 2.451 10.419 1.00 0.17 H new ATOM 0 HG2 ARG A 15 -1.308 4.970 9.943 1.00 0.21 H new ATOM 0 HG3 ARG A 15 -2.760 4.887 10.920 1.00 0.21 H new ATOM 0 HD2 ARG A 15 -0.802 5.598 12.255 1.00 0.28 H new ATOM 0 HD3 ARG A 15 -1.480 4.098 12.853 1.00 0.28 H new ATOM 0 HE ARG A 15 0.627 3.573 10.935 1.00 1.31 H new ATOM 0 HH11 ARG A 15 0.005 4.482 14.305 1.00 1.58 H new ATOM 0 HH12 ARG A 15 1.575 3.897 14.865 1.00 1.58 H new ATOM 0 HH21 ARG A 15 2.645 2.869 11.665 1.00 2.72 H new ATOM 0 HH22 ARG A 15 3.062 2.989 13.378 1.00 2.72 H new ATOM 250 N ILE A 16 -2.407 0.607 7.889 1.00 0.10 N ATOM 251 CA ILE A 16 -2.805 -0.773 7.656 1.00 0.10 C ATOM 252 C ILE A 16 -1.556 -1.650 7.613 1.00 0.09 C ATOM 253 O ILE A 16 -0.438 -1.156 7.762 1.00 0.10 O ATOM 254 CB ILE A 16 -3.633 -0.951 6.348 1.00 0.11 C ATOM 255 CG1 ILE A 16 -2.722 -1.122 5.132 1.00 0.12 C ATOM 256 CG2 ILE A 16 -4.573 0.228 6.129 1.00 0.14 C ATOM 257 CD1 ILE A 16 -3.467 -1.127 3.817 1.00 0.16 C ATOM 0 H ILE A 16 -1.597 0.909 7.348 1.00 0.10 H new ATOM 0 HA ILE A 16 -3.455 -1.075 8.477 1.00 0.10 H new ATOM 0 HB ILE A 16 -4.228 -1.857 6.464 1.00 0.11 H new ATOM 0 HG12 ILE A 16 -1.988 -0.316 5.122 1.00 0.12 H new ATOM 0 HG13 ILE A 16 -2.169 -2.056 5.231 1.00 0.12 H new ATOM 0 HG21 ILE A 16 -5.138 0.077 5.209 1.00 0.14 H new ATOM 0 HG22 ILE A 16 -5.262 0.305 6.970 1.00 0.14 H new ATOM 0 HG23 ILE A 16 -3.992 1.147 6.051 1.00 0.14 H new ATOM 0 HD11 ILE A 16 -2.759 -1.252 2.998 1.00 0.16 H new ATOM 0 HD12 ILE A 16 -4.182 -1.950 3.807 1.00 0.16 H new ATOM 0 HD13 ILE A 16 -3.998 -0.183 3.696 1.00 0.16 H new ATOM 269 N VAL A 17 -1.729 -2.940 7.394 1.00 0.09 N ATOM 270 CA VAL A 17 -0.605 -3.856 7.437 1.00 0.10 C ATOM 271 C VAL A 17 -0.289 -4.405 6.053 1.00 0.11 C ATOM 272 O VAL A 17 -1.123 -5.051 5.413 1.00 0.16 O ATOM 273 CB VAL A 17 -0.834 -5.017 8.441 1.00 0.12 C ATOM 274 CG1 VAL A 17 -2.177 -5.683 8.216 1.00 0.16 C ATOM 275 CG2 VAL A 17 0.289 -6.043 8.354 1.00 0.16 C ATOM 0 H VAL A 17 -2.628 -3.374 7.186 1.00 0.09 H new ATOM 0 HA VAL A 17 0.253 -3.283 7.788 1.00 0.10 H new ATOM 0 HB VAL A 17 -0.832 -4.588 9.443 1.00 0.12 H new ATOM 0 HG11 VAL A 17 -2.307 -6.492 8.935 1.00 0.16 H new ATOM 0 HG12 VAL A 17 -2.973 -4.950 8.347 1.00 0.16 H new ATOM 0 HG13 VAL A 17 -2.218 -6.087 7.204 1.00 0.16 H new ATOM 0 HG21 VAL A 17 0.104 -6.846 9.068 1.00 0.16 H new ATOM 0 HG22 VAL A 17 0.328 -6.455 7.346 1.00 0.16 H new ATOM 0 HG23 VAL A 17 1.239 -5.563 8.586 1.00 0.16 H new ATOM 285 N MET A 18 0.910 -4.100 5.587 1.00 0.09 N ATOM 286 CA MET A 18 1.423 -4.681 4.354 1.00 0.09 C ATOM 287 C MET A 18 2.050 -6.025 4.690 1.00 0.09 C ATOM 288 O MET A 18 2.557 -6.206 5.796 1.00 0.15 O ATOM 289 CB MET A 18 2.456 -3.764 3.701 1.00 0.12 C ATOM 290 CG MET A 18 1.872 -2.444 3.243 1.00 0.17 C ATOM 291 SD MET A 18 0.862 -2.639 1.767 1.00 0.84 S ATOM 292 CE MET A 18 -0.314 -1.322 2.006 1.00 0.61 C ATOM 0 H MET A 18 1.550 -3.451 6.045 1.00 0.09 H new ATOM 0 HA MET A 18 0.606 -4.809 3.644 1.00 0.09 H new ATOM 0 HB2 MET A 18 3.262 -3.572 4.409 1.00 0.12 H new ATOM 0 HB3 MET A 18 2.898 -4.275 2.846 1.00 0.12 H new ATOM 0 HG2 MET A 18 1.268 -2.016 4.043 1.00 0.17 H new ATOM 0 HG3 MET A 18 2.679 -1.740 3.041 1.00 0.17 H new ATOM 0 HE1 MET A 18 -1.274 -1.609 1.576 1.00 0.61 H new ATOM 0 HE2 MET A 18 -0.436 -1.132 3.072 1.00 0.61 H new ATOM 0 HE3 MET A 18 0.048 -0.418 1.516 1.00 0.61 H new ATOM 302 N PRO A 19 2.024 -6.992 3.776 1.00 0.09 N ATOM 303 CA PRO A 19 2.493 -8.322 4.074 1.00 0.11 C ATOM 304 C PRO A 19 3.983 -8.524 3.796 1.00 0.12 C ATOM 305 O PRO A 19 4.653 -7.712 3.128 1.00 0.12 O ATOM 306 CB PRO A 19 1.641 -9.195 3.153 1.00 0.13 C ATOM 307 CG PRO A 19 1.272 -8.326 1.990 1.00 0.14 C ATOM 308 CD PRO A 19 1.546 -6.881 2.393 1.00 0.12 C ATOM 0 HA PRO A 19 2.395 -8.557 5.134 1.00 0.11 H new ATOM 0 HB2 PRO A 19 2.196 -10.073 2.824 1.00 0.13 H new ATOM 0 HB3 PRO A 19 0.751 -9.555 3.669 1.00 0.13 H new ATOM 0 HG2 PRO A 19 1.855 -8.596 1.110 1.00 0.14 H new ATOM 0 HG3 PRO A 19 0.222 -8.459 1.730 1.00 0.14 H new ATOM 0 HD2 PRO A 19 2.293 -6.419 1.747 1.00 0.12 H new ATOM 0 HD3 PRO A 19 0.646 -6.269 2.328 1.00 0.12 H new ATOM 316 N ILE A 20 4.501 -9.617 4.331 1.00 0.16 N ATOM 317 CA ILE A 20 5.853 -10.060 4.042 1.00 0.18 C ATOM 318 C ILE A 20 6.090 -10.108 2.536 1.00 0.17 C ATOM 319 O ILE A 20 7.188 -9.832 2.069 1.00 0.18 O ATOM 320 CB ILE A 20 6.108 -11.454 4.655 1.00 0.24 C ATOM 321 CG1 ILE A 20 7.516 -11.959 4.328 1.00 0.29 C ATOM 322 CG2 ILE A 20 5.055 -12.445 4.178 1.00 0.26 C ATOM 323 CD1 ILE A 20 8.624 -11.137 4.952 1.00 0.32 C ATOM 0 H ILE A 20 3.995 -10.222 4.978 1.00 0.16 H new ATOM 0 HA ILE A 20 6.546 -9.346 4.486 1.00 0.18 H new ATOM 0 HB ILE A 20 6.034 -11.363 5.739 1.00 0.24 H new ATOM 0 HG12 ILE A 20 7.609 -12.991 4.666 1.00 0.29 H new ATOM 0 HG13 ILE A 20 7.647 -11.965 3.246 1.00 0.29 H new ATOM 0 HG21 ILE A 20 5.249 -13.423 4.619 1.00 0.26 H new ATOM 0 HG22 ILE A 20 4.067 -12.100 4.481 1.00 0.26 H new ATOM 0 HG23 ILE A 20 5.094 -12.523 3.092 1.00 0.26 H new ATOM 0 HD11 ILE A 20 9.590 -11.558 4.674 1.00 0.32 H new ATOM 0 HD12 ILE A 20 8.560 -10.109 4.595 1.00 0.32 H new ATOM 0 HD13 ILE A 20 8.521 -11.151 6.037 1.00 0.32 H new ATOM 335 N GLU A 21 5.036 -10.430 1.787 1.00 0.17 N ATOM 336 CA GLU A 21 5.083 -10.476 0.329 1.00 0.18 C ATOM 337 C GLU A 21 5.574 -9.157 -0.229 1.00 0.16 C ATOM 338 O GLU A 21 6.329 -9.121 -1.192 1.00 0.18 O ATOM 339 CB GLU A 21 3.691 -10.721 -0.219 1.00 0.21 C ATOM 340 CG GLU A 21 2.799 -11.483 0.736 1.00 0.20 C ATOM 341 CD GLU A 21 2.745 -12.964 0.426 1.00 0.35 C ATOM 342 OE1 GLU A 21 2.129 -13.345 -0.589 1.00 0.96 O ATOM 343 OE2 GLU A 21 3.335 -13.751 1.194 1.00 1.27 O ATOM 0 H GLU A 21 4.124 -10.667 2.177 1.00 0.17 H new ATOM 0 HA GLU A 21 5.761 -11.278 0.038 1.00 0.18 H new ATOM 0 HB2 GLU A 21 3.226 -9.763 -0.454 1.00 0.21 H new ATOM 0 HB3 GLU A 21 3.768 -11.276 -1.154 1.00 0.21 H new ATOM 0 HG2 GLU A 21 3.159 -11.342 1.755 1.00 0.20 H new ATOM 0 HG3 GLU A 21 1.791 -11.070 0.694 1.00 0.20 H new ATOM 350 N LEU A 22 5.134 -8.076 0.399 1.00 0.14 N ATOM 351 CA LEU A 22 5.508 -6.743 -0.024 1.00 0.15 C ATOM 352 C LEU A 22 6.978 -6.520 0.242 1.00 0.15 C ATOM 353 O LEU A 22 7.708 -6.028 -0.610 1.00 0.16 O ATOM 354 CB LEU A 22 4.659 -5.689 0.705 1.00 0.18 C ATOM 355 CG LEU A 22 5.351 -4.343 0.964 1.00 0.23 C ATOM 356 CD1 LEU A 22 4.408 -3.192 0.668 1.00 0.29 C ATOM 357 CD2 LEU A 22 5.836 -4.265 2.408 1.00 0.32 C ATOM 0 H LEU A 22 4.514 -8.102 1.208 1.00 0.14 H new ATOM 0 HA LEU A 22 5.323 -6.644 -1.094 1.00 0.15 H new ATOM 0 HB2 LEU A 22 3.757 -5.507 0.120 1.00 0.18 H new ATOM 0 HB3 LEU A 22 4.340 -6.103 1.661 1.00 0.18 H new ATOM 0 HG LEU A 22 6.211 -4.267 0.299 1.00 0.23 H new ATOM 0 HD11 LEU A 22 4.917 -2.247 0.858 1.00 0.29 H new ATOM 0 HD12 LEU A 22 4.099 -3.234 -0.376 1.00 0.29 H new ATOM 0 HD13 LEU A 22 3.530 -3.267 1.310 1.00 0.29 H new ATOM 0 HD21 LEU A 22 6.324 -3.305 2.576 1.00 0.32 H new ATOM 0 HD22 LEU A 22 4.986 -4.363 3.083 1.00 0.32 H new ATOM 0 HD23 LEU A 22 6.545 -5.071 2.598 1.00 0.32 H new ATOM 369 N ARG A 23 7.405 -6.899 1.434 1.00 0.17 N ATOM 370 CA ARG A 23 8.807 -6.752 1.803 1.00 0.20 C ATOM 371 C ARG A 23 9.700 -7.554 0.864 1.00 0.21 C ATOM 372 O ARG A 23 10.716 -7.052 0.382 1.00 0.23 O ATOM 373 CB ARG A 23 9.026 -7.187 3.256 1.00 0.26 C ATOM 374 CG ARG A 23 8.184 -6.408 4.255 1.00 0.35 C ATOM 375 CD ARG A 23 8.652 -6.638 5.686 1.00 0.43 C ATOM 376 NE ARG A 23 7.942 -7.724 6.362 1.00 0.58 N ATOM 377 CZ ARG A 23 8.496 -8.513 7.285 1.00 0.42 C ATOM 378 NH1 ARG A 23 9.792 -8.421 7.560 1.00 0.82 N ATOM 379 NH2 ARG A 23 7.752 -9.399 7.936 1.00 0.82 N ATOM 0 H ARG A 23 6.812 -7.306 2.157 1.00 0.17 H new ATOM 0 HA ARG A 23 9.076 -5.700 1.712 1.00 0.20 H new ATOM 0 HB2 ARG A 23 8.796 -8.248 3.348 1.00 0.26 H new ATOM 0 HB3 ARG A 23 10.079 -7.066 3.508 1.00 0.26 H new ATOM 0 HG2 ARG A 23 8.234 -5.344 4.022 1.00 0.35 H new ATOM 0 HG3 ARG A 23 7.140 -6.706 4.161 1.00 0.35 H new ATOM 0 HD2 ARG A 23 9.719 -6.860 5.680 1.00 0.43 H new ATOM 0 HD3 ARG A 23 8.521 -5.718 6.256 1.00 0.43 H new ATOM 0 HE ARG A 23 6.966 -7.888 6.113 1.00 0.58 H new ATOM 0 HH11 ARG A 23 10.372 -7.744 7.064 1.00 0.82 H new ATOM 0 HH12 ARG A 23 10.208 -9.028 8.267 1.00 0.82 H new ATOM 0 HH21 ARG A 23 6.756 -9.477 7.731 1.00 0.82 H new ATOM 0 HH22 ARG A 23 8.176 -10.001 8.641 1.00 0.82 H new ATOM 393 N ARG A 24 9.305 -8.796 0.622 1.00 0.21 N ATOM 394 CA ARG A 24 10.006 -9.685 -0.298 1.00 0.24 C ATOM 395 C ARG A 24 10.038 -9.126 -1.716 1.00 0.23 C ATOM 396 O ARG A 24 11.102 -9.028 -2.322 1.00 0.25 O ATOM 397 CB ARG A 24 9.316 -11.041 -0.303 1.00 0.25 C ATOM 398 CG ARG A 24 9.301 -11.711 1.054 1.00 0.29 C ATOM 399 CD ARG A 24 8.371 -12.910 1.065 1.00 0.33 C ATOM 400 NE ARG A 24 8.741 -13.909 0.061 1.00 0.45 N ATOM 401 CZ ARG A 24 7.941 -14.905 -0.320 1.00 0.70 C ATOM 402 NH1 ARG A 24 6.729 -15.030 0.210 1.00 0.87 N ATOM 403 NH2 ARG A 24 8.349 -15.778 -1.228 1.00 0.86 N ATOM 0 H ARG A 24 8.486 -9.219 1.059 1.00 0.21 H new ATOM 0 HA ARG A 24 11.037 -9.781 0.044 1.00 0.24 H new ATOM 0 HB2 ARG A 24 8.290 -10.918 -0.651 1.00 0.25 H new ATOM 0 HB3 ARG A 24 9.818 -11.694 -1.017 1.00 0.25 H new ATOM 0 HG2 ARG A 24 10.310 -12.028 1.317 1.00 0.29 H new ATOM 0 HG3 ARG A 24 8.984 -10.995 1.812 1.00 0.29 H new ATOM 0 HD2 ARG A 24 8.385 -13.369 2.054 1.00 0.33 H new ATOM 0 HD3 ARG A 24 7.349 -12.576 0.883 1.00 0.33 H new ATOM 0 HE ARG A 24 9.662 -13.839 -0.371 1.00 0.45 H new ATOM 0 HH11 ARG A 24 6.408 -14.362 0.911 1.00 0.87 H new ATOM 0 HH12 ARG A 24 6.120 -15.793 -0.084 1.00 0.87 H new ATOM 0 HH21 ARG A 24 9.278 -15.690 -1.639 1.00 0.86 H new ATOM 0 HH22 ARG A 24 7.734 -16.539 -1.517 1.00 0.86 H new ATOM 417 N ALA A 25 8.865 -8.783 -2.242 1.00 0.21 N ATOM 418 CA ALA A 25 8.748 -8.209 -3.576 1.00 0.23 C ATOM 419 C ALA A 25 9.649 -7.002 -3.751 1.00 0.24 C ATOM 420 O ALA A 25 10.386 -6.892 -4.732 1.00 0.27 O ATOM 421 CB ALA A 25 7.312 -7.800 -3.838 1.00 0.23 C ATOM 0 H ALA A 25 7.975 -8.895 -1.757 1.00 0.21 H new ATOM 0 HA ALA A 25 9.058 -8.973 -4.289 1.00 0.23 H new ATOM 0 HB1 ALA A 25 7.232 -7.372 -4.837 1.00 0.23 H new ATOM 0 HB2 ALA A 25 6.666 -8.675 -3.765 1.00 0.23 H new ATOM 0 HB3 ALA A 25 7.004 -7.059 -3.100 1.00 0.23 H new ATOM 427 N LEU A 26 9.582 -6.109 -2.782 1.00 0.24 N ATOM 428 CA LEU A 26 10.299 -4.855 -2.840 1.00 0.27 C ATOM 429 C LEU A 26 11.764 -5.026 -2.443 1.00 0.29 C ATOM 430 O LEU A 26 12.615 -5.290 -3.296 1.00 0.37 O ATOM 431 CB LEU A 26 9.606 -3.840 -1.929 1.00 0.24 C ATOM 432 CG LEU A 26 8.180 -3.453 -2.339 1.00 0.25 C ATOM 433 CD1 LEU A 26 7.579 -2.481 -1.339 1.00 0.24 C ATOM 434 CD2 LEU A 26 8.165 -2.850 -3.731 1.00 0.32 C ATOM 0 H LEU A 26 9.029 -6.235 -1.934 1.00 0.24 H new ATOM 0 HA LEU A 26 10.287 -4.492 -3.868 1.00 0.27 H new ATOM 0 HB2 LEU A 26 9.578 -4.245 -0.918 1.00 0.24 H new ATOM 0 HB3 LEU A 26 10.213 -2.936 -1.893 1.00 0.24 H new ATOM 0 HG LEU A 26 7.575 -4.359 -2.349 1.00 0.25 H new ATOM 0 HD11 LEU A 26 6.567 -2.219 -1.649 1.00 0.24 H new ATOM 0 HD12 LEU A 26 7.548 -2.946 -0.353 1.00 0.24 H new ATOM 0 HD13 LEU A 26 8.190 -1.579 -1.296 1.00 0.24 H new ATOM 0 HD21 LEU A 26 7.143 -2.583 -4.001 1.00 0.32 H new ATOM 0 HD22 LEU A 26 8.790 -1.957 -3.747 1.00 0.32 H new ATOM 0 HD23 LEU A 26 8.551 -3.576 -4.446 1.00 0.32 H new ATOM 446 N ASP A 27 12.044 -4.892 -1.147 1.00 0.27 N ATOM 447 CA ASP A 27 13.409 -4.987 -0.620 1.00 0.33 C ATOM 448 C ASP A 27 13.407 -4.691 0.881 1.00 0.37 C ATOM 449 O ASP A 27 14.442 -4.417 1.483 1.00 0.59 O ATOM 450 CB ASP A 27 14.343 -4.011 -1.359 1.00 0.40 C ATOM 451 CG ASP A 27 15.805 -4.150 -0.964 1.00 0.51 C ATOM 452 OD1 ASP A 27 16.402 -5.218 -1.216 1.00 1.37 O ATOM 453 OD2 ASP A 27 16.375 -3.184 -0.417 1.00 1.10 O ATOM 0 H ASP A 27 11.336 -4.715 -0.434 1.00 0.27 H new ATOM 0 HA ASP A 27 13.779 -6.000 -0.781 1.00 0.33 H new ATOM 0 HB2 ASP A 27 14.248 -4.173 -2.433 1.00 0.40 H new ATOM 0 HB3 ASP A 27 14.017 -2.990 -1.161 1.00 0.40 H new ATOM 458 N ILE A 28 12.234 -4.797 1.494 1.00 0.28 N ATOM 459 CA ILE A 28 12.067 -4.397 2.888 1.00 0.29 C ATOM 460 C ILE A 28 12.584 -5.488 3.818 1.00 0.28 C ATOM 461 O ILE A 28 12.307 -6.671 3.614 1.00 0.29 O ATOM 462 CB ILE A 28 10.590 -4.080 3.251 1.00 0.31 C ATOM 463 CG1 ILE A 28 10.098 -2.781 2.601 1.00 0.33 C ATOM 464 CG2 ILE A 28 10.422 -3.972 4.759 1.00 0.36 C ATOM 465 CD1 ILE A 28 9.994 -2.832 1.101 1.00 0.37 C ATOM 0 H ILE A 28 11.388 -5.155 1.051 1.00 0.28 H new ATOM 0 HA ILE A 28 12.646 -3.482 3.017 1.00 0.29 H new ATOM 0 HB ILE A 28 9.990 -4.904 2.865 1.00 0.31 H new ATOM 0 HG12 ILE A 28 9.119 -2.533 3.012 1.00 0.33 H new ATOM 0 HG13 ILE A 28 10.775 -1.973 2.878 1.00 0.33 H new ATOM 0 HG21 ILE A 28 9.381 -3.750 4.994 1.00 0.36 H new ATOM 0 HG22 ILE A 28 10.706 -4.916 5.225 1.00 0.36 H new ATOM 0 HG23 ILE A 28 11.059 -3.173 5.140 1.00 0.36 H new ATOM 0 HD11 ILE A 28 9.639 -1.871 0.728 1.00 0.37 H new ATOM 0 HD12 ILE A 28 10.974 -3.047 0.675 1.00 0.37 H new ATOM 0 HD13 ILE A 28 9.293 -3.615 0.811 1.00 0.37 H new ATOM 477 N ALA A 29 13.335 -5.088 4.837 1.00 0.31 N ATOM 478 CA ALA A 29 13.833 -6.031 5.817 1.00 0.33 C ATOM 479 C ALA A 29 12.953 -6.011 7.056 1.00 0.34 C ATOM 480 O ALA A 29 12.432 -7.043 7.480 1.00 0.43 O ATOM 481 CB ALA A 29 15.277 -5.723 6.170 1.00 0.34 C ATOM 0 H ALA A 29 13.609 -4.119 5.002 1.00 0.31 H new ATOM 0 HA ALA A 29 13.800 -7.033 5.388 1.00 0.33 H new ATOM 0 HB1 ALA A 29 15.633 -6.442 6.908 1.00 0.34 H new ATOM 0 HB2 ALA A 29 15.893 -5.788 5.273 1.00 0.34 H new ATOM 0 HB3 ALA A 29 15.344 -4.717 6.583 1.00 0.34 H new ATOM 487 N ILE A 30 12.761 -4.828 7.613 1.00 0.29 N ATOM 488 CA ILE A 30 11.952 -4.680 8.816 1.00 0.32 C ATOM 489 C ILE A 30 11.270 -3.316 8.837 1.00 0.34 C ATOM 490 O ILE A 30 10.170 -3.176 9.352 1.00 0.44 O ATOM 491 CB ILE A 30 12.808 -4.900 10.094 1.00 0.34 C ATOM 492 CG1 ILE A 30 11.939 -4.952 11.367 1.00 0.42 C ATOM 493 CG2 ILE A 30 13.890 -3.832 10.212 1.00 0.31 C ATOM 494 CD1 ILE A 30 11.710 -3.616 12.044 1.00 0.39 C ATOM 0 H ILE A 30 13.152 -3.957 7.255 1.00 0.29 H new ATOM 0 HA ILE A 30 11.177 -5.446 8.803 1.00 0.32 H new ATOM 0 HB ILE A 30 13.294 -5.871 9.997 1.00 0.34 H new ATOM 0 HG12 ILE A 30 10.971 -5.382 11.110 1.00 0.42 H new ATOM 0 HG13 ILE A 30 12.409 -5.628 12.081 1.00 0.42 H new ATOM 0 HG21 ILE A 30 14.477 -4.006 11.114 1.00 0.31 H new ATOM 0 HG22 ILE A 30 14.543 -3.878 9.340 1.00 0.31 H new ATOM 0 HG23 ILE A 30 13.425 -2.848 10.266 1.00 0.31 H new ATOM 0 HD11 ILE A 30 11.088 -3.758 12.928 1.00 0.39 H new ATOM 0 HD12 ILE A 30 12.668 -3.189 12.339 1.00 0.39 H new ATOM 0 HD13 ILE A 30 11.208 -2.939 11.353 1.00 0.39 H new ATOM 506 N LYS A 31 11.925 -2.315 8.265 1.00 0.32 N ATOM 507 CA LYS A 31 11.352 -0.976 8.164 1.00 0.37 C ATOM 508 C LYS A 31 11.550 -0.440 6.751 1.00 0.37 C ATOM 509 O LYS A 31 10.627 0.085 6.128 1.00 0.57 O ATOM 510 CB LYS A 31 12.015 -0.039 9.182 1.00 0.39 C ATOM 511 CG LYS A 31 11.935 -0.539 10.620 1.00 0.39 C ATOM 512 CD LYS A 31 12.468 0.478 11.618 1.00 0.45 C ATOM 513 CE LYS A 31 11.545 1.678 11.734 1.00 0.46 C ATOM 514 NZ LYS A 31 12.023 2.650 12.749 1.00 0.65 N ATOM 0 H LYS A 31 12.858 -2.404 7.862 1.00 0.32 H new ATOM 0 HA LYS A 31 10.285 -1.027 8.381 1.00 0.37 H new ATOM 0 HB2 LYS A 31 13.062 0.094 8.911 1.00 0.39 H new ATOM 0 HB3 LYS A 31 11.543 0.941 9.121 1.00 0.39 H new ATOM 0 HG2 LYS A 31 10.899 -0.774 10.863 1.00 0.39 H new ATOM 0 HG3 LYS A 31 12.502 -1.466 10.712 1.00 0.39 H new ATOM 0 HD2 LYS A 31 12.579 0.007 12.595 1.00 0.45 H new ATOM 0 HD3 LYS A 31 13.459 0.808 11.308 1.00 0.45 H new ATOM 0 HE2 LYS A 31 11.470 2.172 10.766 1.00 0.46 H new ATOM 0 HE3 LYS A 31 10.543 1.341 11.999 1.00 0.46 H new ATOM 0 HZ1 LYS A 31 11.365 3.454 12.797 1.00 0.65 H new ATOM 0 HZ2 LYS A 31 12.071 2.186 13.679 1.00 0.65 H new ATOM 0 HZ3 LYS A 31 12.969 2.992 12.484 1.00 0.65 H new ATOM 528 N ASP A 32 12.771 -0.617 6.272 1.00 0.24 N ATOM 529 CA ASP A 32 13.198 -0.230 4.927 1.00 0.25 C ATOM 530 C ASP A 32 12.749 1.172 4.502 1.00 0.35 C ATOM 531 O ASP A 32 13.285 2.156 5.004 1.00 0.84 O ATOM 532 CB ASP A 32 12.756 -1.265 3.912 1.00 0.31 C ATOM 533 CG ASP A 32 13.728 -1.351 2.762 1.00 1.17 C ATOM 534 OD1 ASP A 32 14.952 -1.269 3.008 1.00 1.80 O ATOM 535 OD2 ASP A 32 13.286 -1.487 1.612 1.00 1.91 O ATOM 0 H ASP A 32 13.517 -1.046 6.820 1.00 0.24 H new ATOM 0 HA ASP A 32 14.287 -0.190 4.962 1.00 0.25 H new ATOM 0 HB2 ASP A 32 12.672 -2.239 4.395 1.00 0.31 H new ATOM 0 HB3 ASP A 32 11.765 -1.009 3.536 1.00 0.31 H new ATOM 540 N SER A 33 11.737 1.254 3.617 1.00 0.25 N ATOM 541 CA SER A 33 11.326 2.502 2.938 1.00 0.19 C ATOM 542 C SER A 33 10.227 2.186 1.921 1.00 0.19 C ATOM 543 O SER A 33 10.504 1.580 0.889 1.00 0.28 O ATOM 544 CB SER A 33 12.480 3.178 2.165 1.00 0.24 C ATOM 545 OG SER A 33 13.520 3.632 3.014 1.00 0.27 O ATOM 0 H SER A 33 11.174 0.447 3.349 1.00 0.25 H new ATOM 0 HA SER A 33 10.986 3.181 3.720 1.00 0.19 H new ATOM 0 HB2 SER A 33 12.890 2.472 1.443 1.00 0.24 H new ATOM 0 HB3 SER A 33 12.086 4.022 1.598 1.00 0.24 H new ATOM 0 HG SER A 33 13.358 3.315 3.927 1.00 0.27 H new ATOM 551 N ILE A 34 8.989 2.581 2.194 1.00 0.16 N ATOM 552 CA ILE A 34 7.904 2.311 1.256 1.00 0.18 C ATOM 553 C ILE A 34 7.224 3.605 0.845 1.00 0.15 C ATOM 554 O ILE A 34 6.610 4.274 1.665 1.00 0.16 O ATOM 555 CB ILE A 34 6.831 1.353 1.827 1.00 0.26 C ATOM 556 CG1 ILE A 34 7.453 0.073 2.388 1.00 0.46 C ATOM 557 CG2 ILE A 34 5.821 1.008 0.749 1.00 0.76 C ATOM 558 CD1 ILE A 34 8.002 0.230 3.786 1.00 0.58 C ATOM 0 H ILE A 34 8.714 3.080 3.040 1.00 0.16 H new ATOM 0 HA ILE A 34 8.366 1.826 0.396 1.00 0.18 H new ATOM 0 HB ILE A 34 6.331 1.866 2.648 1.00 0.26 H new ATOM 0 HG12 ILE A 34 6.701 -0.716 2.388 1.00 0.46 H new ATOM 0 HG13 ILE A 34 8.256 -0.251 1.726 1.00 0.46 H new ATOM 0 HG21 ILE A 34 5.069 0.333 1.158 1.00 0.76 H new ATOM 0 HG22 ILE A 34 5.338 1.920 0.398 1.00 0.76 H new ATOM 0 HG23 ILE A 34 6.329 0.522 -0.084 1.00 0.76 H new ATOM 0 HD11 ILE A 34 8.427 -0.717 4.118 1.00 0.58 H new ATOM 0 HD12 ILE A 34 8.777 0.996 3.789 1.00 0.58 H new ATOM 0 HD13 ILE A 34 7.199 0.524 4.461 1.00 0.58 H new ATOM 570 N GLU A 35 7.316 3.940 -0.425 1.00 0.13 N ATOM 571 CA GLU A 35 6.748 5.179 -0.926 1.00 0.13 C ATOM 572 C GLU A 35 5.609 4.862 -1.886 1.00 0.13 C ATOM 573 O GLU A 35 5.709 3.931 -2.690 1.00 0.17 O ATOM 574 CB GLU A 35 7.827 6.028 -1.604 1.00 0.16 C ATOM 575 CG GLU A 35 7.294 7.289 -2.262 1.00 0.23 C ATOM 576 CD GLU A 35 8.383 8.078 -2.951 1.00 0.38 C ATOM 577 OE1 GLU A 35 8.857 7.625 -4.020 1.00 1.13 O ATOM 578 OE2 GLU A 35 8.763 9.144 -2.432 1.00 1.21 O ATOM 0 H GLU A 35 7.780 3.371 -1.133 1.00 0.13 H new ATOM 0 HA GLU A 35 6.350 5.759 -0.093 1.00 0.13 H new ATOM 0 HB2 GLU A 35 8.576 6.306 -0.863 1.00 0.16 H new ATOM 0 HB3 GLU A 35 8.332 5.423 -2.357 1.00 0.16 H new ATOM 0 HG2 GLU A 35 6.527 7.021 -2.989 1.00 0.23 H new ATOM 0 HG3 GLU A 35 6.815 7.915 -1.509 1.00 0.23 H new ATOM 585 N PHE A 36 4.520 5.621 -1.792 1.00 0.13 N ATOM 586 CA PHE A 36 3.326 5.302 -2.564 1.00 0.12 C ATOM 587 C PHE A 36 2.928 6.395 -3.562 1.00 0.14 C ATOM 588 O PHE A 36 3.215 7.584 -3.388 1.00 0.16 O ATOM 589 CB PHE A 36 2.120 4.944 -1.664 1.00 0.15 C ATOM 590 CG PHE A 36 2.313 5.156 -0.187 1.00 0.14 C ATOM 591 CD1 PHE A 36 3.189 4.360 0.537 1.00 1.11 C ATOM 592 CD2 PHE A 36 1.591 6.128 0.481 1.00 1.24 C ATOM 593 CE1 PHE A 36 3.342 4.536 1.896 1.00 1.06 C ATOM 594 CE2 PHE A 36 1.743 6.308 1.840 1.00 1.33 C ATOM 595 CZ PHE A 36 2.619 5.512 2.547 1.00 0.36 C ATOM 0 H PHE A 36 4.441 6.447 -1.199 1.00 0.13 H new ATOM 0 HA PHE A 36 3.603 4.421 -3.143 1.00 0.12 H new ATOM 0 HB2 PHE A 36 1.263 5.535 -1.987 1.00 0.15 H new ATOM 0 HB3 PHE A 36 1.866 3.897 -1.830 1.00 0.15 H new ATOM 0 HD1 PHE A 36 3.757 3.594 0.030 1.00 1.11 H new ATOM 0 HD2 PHE A 36 0.901 6.753 -0.067 1.00 1.24 H new ATOM 0 HE1 PHE A 36 4.027 3.910 2.449 1.00 1.06 H new ATOM 0 HE2 PHE A 36 1.176 7.072 2.350 1.00 1.33 H new ATOM 0 HZ PHE A 36 2.739 5.653 3.611 1.00 0.36 H new ATOM 605 N PHE A 37 2.275 5.931 -4.621 1.00 0.15 N ATOM 606 CA PHE A 37 1.714 6.760 -5.678 1.00 0.17 C ATOM 607 C PHE A 37 0.215 6.550 -5.670 1.00 0.13 C ATOM 608 O PHE A 37 -0.255 5.528 -5.185 1.00 0.11 O ATOM 609 CB PHE A 37 2.299 6.317 -7.032 1.00 0.20 C ATOM 610 CG PHE A 37 2.038 7.243 -8.195 1.00 0.22 C ATOM 611 CD1 PHE A 37 0.815 7.245 -8.846 1.00 1.13 C ATOM 612 CD2 PHE A 37 3.034 8.085 -8.655 1.00 1.25 C ATOM 613 CE1 PHE A 37 0.589 8.072 -9.928 1.00 1.15 C ATOM 614 CE2 PHE A 37 2.812 8.919 -9.734 1.00 1.26 C ATOM 615 CZ PHE A 37 1.589 8.911 -10.372 1.00 0.33 C ATOM 0 H PHE A 37 2.117 4.935 -4.771 1.00 0.15 H new ATOM 0 HA PHE A 37 1.952 7.812 -5.522 1.00 0.17 H new ATOM 0 HB2 PHE A 37 3.377 6.200 -6.920 1.00 0.20 H new ATOM 0 HB3 PHE A 37 1.896 5.334 -7.277 1.00 0.20 H new ATOM 0 HD1 PHE A 37 0.028 6.591 -8.502 1.00 1.13 H new ATOM 0 HD2 PHE A 37 3.997 8.091 -8.165 1.00 1.25 H new ATOM 0 HE1 PHE A 37 -0.369 8.062 -10.426 1.00 1.15 H new ATOM 0 HE2 PHE A 37 3.596 9.577 -10.078 1.00 1.26 H new ATOM 0 HZ PHE A 37 1.415 9.560 -11.217 1.00 0.33 H new ATOM 625 N VAL A 38 -0.540 7.499 -6.166 1.00 0.17 N ATOM 626 CA VAL A 38 -1.969 7.291 -6.288 1.00 0.18 C ATOM 627 C VAL A 38 -2.476 7.632 -7.682 1.00 0.21 C ATOM 628 O VAL A 38 -2.335 8.755 -8.171 1.00 0.25 O ATOM 629 CB VAL A 38 -2.762 8.053 -5.211 1.00 0.22 C ATOM 630 CG1 VAL A 38 -2.475 9.548 -5.232 1.00 0.26 C ATOM 631 CG2 VAL A 38 -4.250 7.791 -5.354 1.00 0.25 C ATOM 0 H VAL A 38 -0.202 8.406 -6.487 1.00 0.17 H new ATOM 0 HA VAL A 38 -2.139 6.227 -6.125 1.00 0.18 H new ATOM 0 HB VAL A 38 -2.430 7.676 -4.243 1.00 0.22 H new ATOM 0 HG11 VAL A 38 -3.058 10.041 -4.454 1.00 0.26 H new ATOM 0 HG12 VAL A 38 -1.413 9.717 -5.052 1.00 0.26 H new ATOM 0 HG13 VAL A 38 -2.748 9.957 -6.205 1.00 0.26 H new ATOM 0 HG21 VAL A 38 -4.792 8.339 -4.583 1.00 0.25 H new ATOM 0 HG22 VAL A 38 -4.585 8.122 -6.337 1.00 0.25 H new ATOM 0 HG23 VAL A 38 -4.444 6.724 -5.245 1.00 0.25 H new ATOM 641 N ASP A 39 -3.058 6.635 -8.313 1.00 0.24 N ATOM 642 CA ASP A 39 -3.584 6.766 -9.658 1.00 0.30 C ATOM 643 C ASP A 39 -5.100 6.672 -9.626 1.00 0.32 C ATOM 644 O ASP A 39 -5.655 5.577 -9.649 1.00 0.29 O ATOM 645 CB ASP A 39 -3.018 5.661 -10.557 1.00 0.30 C ATOM 646 CG ASP A 39 -3.470 5.796 -11.996 1.00 0.44 C ATOM 647 OD1 ASP A 39 -3.144 6.821 -12.630 1.00 1.12 O ATOM 648 OD2 ASP A 39 -4.146 4.875 -12.500 1.00 1.27 O ATOM 0 H ASP A 39 -3.181 5.707 -7.908 1.00 0.24 H new ATOM 0 HA ASP A 39 -3.289 7.735 -10.060 1.00 0.30 H new ATOM 0 HB2 ASP A 39 -1.929 5.687 -10.518 1.00 0.30 H new ATOM 0 HB3 ASP A 39 -3.328 4.689 -10.172 1.00 0.30 H new ATOM 653 N GLY A 40 -5.757 7.822 -9.546 1.00 0.40 N ATOM 654 CA GLY A 40 -7.211 7.862 -9.504 1.00 0.45 C ATOM 655 C GLY A 40 -7.799 7.145 -8.294 1.00 0.39 C ATOM 656 O GLY A 40 -8.023 7.757 -7.246 1.00 0.43 O ATOM 0 H GLY A 40 -5.307 8.736 -9.509 1.00 0.40 H new ATOM 0 HA2 GLY A 40 -7.539 8.901 -9.496 1.00 0.45 H new ATOM 0 HA3 GLY A 40 -7.606 7.410 -10.413 1.00 0.45 H new ATOM 660 N ASP A 41 -8.025 5.851 -8.452 1.00 0.33 N ATOM 661 CA ASP A 41 -8.602 5.001 -7.415 1.00 0.29 C ATOM 662 C ASP A 41 -7.697 3.779 -7.257 1.00 0.21 C ATOM 663 O ASP A 41 -8.123 2.657 -6.990 1.00 0.25 O ATOM 664 CB ASP A 41 -10.049 4.628 -7.795 1.00 0.35 C ATOM 665 CG ASP A 41 -10.674 3.517 -6.960 1.00 0.98 C ATOM 666 OD1 ASP A 41 -10.895 3.718 -5.752 1.00 1.74 O ATOM 667 OD2 ASP A 41 -10.992 2.448 -7.536 1.00 1.72 O ATOM 0 H ASP A 41 -7.811 5.351 -9.315 1.00 0.33 H new ATOM 0 HA ASP A 41 -8.657 5.517 -6.456 1.00 0.29 H new ATOM 0 HB2 ASP A 41 -10.671 5.519 -7.709 1.00 0.35 H new ATOM 0 HB3 ASP A 41 -10.066 4.327 -8.842 1.00 0.35 H new ATOM 672 N LYS A 42 -6.417 4.016 -7.453 1.00 0.18 N ATOM 673 CA LYS A 42 -5.407 2.999 -7.246 1.00 0.14 C ATOM 674 C LYS A 42 -4.223 3.572 -6.485 1.00 0.12 C ATOM 675 O LYS A 42 -3.916 4.753 -6.606 1.00 0.14 O ATOM 676 CB LYS A 42 -4.949 2.452 -8.591 1.00 0.12 C ATOM 677 CG LYS A 42 -3.563 1.840 -8.566 1.00 0.18 C ATOM 678 CD LYS A 42 -3.301 0.996 -9.800 1.00 0.40 C ATOM 679 CE LYS A 42 -3.578 1.760 -11.085 1.00 0.53 C ATOM 680 NZ LYS A 42 -3.506 0.874 -12.279 1.00 0.41 N ATOM 0 H LYS A 42 -6.048 4.916 -7.759 1.00 0.18 H new ATOM 0 HA LYS A 42 -5.837 2.190 -6.655 1.00 0.14 H new ATOM 0 HB2 LYS A 42 -5.662 1.699 -8.928 1.00 0.12 H new ATOM 0 HB3 LYS A 42 -4.966 3.258 -9.325 1.00 0.12 H new ATOM 0 HG2 LYS A 42 -2.817 2.632 -8.501 1.00 0.18 H new ATOM 0 HG3 LYS A 42 -3.453 1.224 -7.673 1.00 0.18 H new ATOM 0 HD2 LYS A 42 -2.264 0.660 -9.795 1.00 0.40 H new ATOM 0 HD3 LYS A 42 -3.926 0.103 -9.768 1.00 0.40 H new ATOM 0 HE2 LYS A 42 -4.566 2.218 -11.031 1.00 0.53 H new ATOM 0 HE3 LYS A 42 -2.857 2.570 -11.189 1.00 0.53 H new ATOM 0 HZ1 LYS A 42 -3.700 1.430 -13.136 1.00 0.41 H new ATOM 0 HZ2 LYS A 42 -2.556 0.457 -12.345 1.00 0.41 H new ATOM 0 HZ3 LYS A 42 -4.212 0.115 -12.191 1.00 0.41 H new ATOM 694 N ILE A 43 -3.564 2.735 -5.708 1.00 0.10 N ATOM 695 CA ILE A 43 -2.368 3.141 -4.995 1.00 0.09 C ATOM 696 C ILE A 43 -1.192 2.274 -5.426 1.00 0.08 C ATOM 697 O ILE A 43 -1.357 1.092 -5.712 1.00 0.10 O ATOM 698 CB ILE A 43 -2.589 3.065 -3.470 1.00 0.10 C ATOM 699 CG1 ILE A 43 -3.574 4.162 -3.036 1.00 0.10 C ATOM 700 CG2 ILE A 43 -1.274 3.154 -2.706 1.00 0.12 C ATOM 701 CD1 ILE A 43 -2.949 5.299 -2.239 1.00 0.15 C ATOM 0 H ILE A 43 -3.838 1.765 -5.554 1.00 0.10 H new ATOM 0 HA ILE A 43 -2.142 4.178 -5.242 1.00 0.09 H new ATOM 0 HB ILE A 43 -3.021 2.094 -3.228 1.00 0.10 H new ATOM 0 HG12 ILE A 43 -4.049 4.578 -3.925 1.00 0.10 H new ATOM 0 HG13 ILE A 43 -4.363 3.707 -2.437 1.00 0.10 H new ATOM 0 HG21 ILE A 43 -1.471 3.097 -1.635 1.00 0.12 H new ATOM 0 HG22 ILE A 43 -0.626 2.329 -3.000 1.00 0.12 H new ATOM 0 HG23 ILE A 43 -0.784 4.100 -2.935 1.00 0.12 H new ATOM 0 HD11 ILE A 43 -3.718 6.025 -1.976 1.00 0.15 H new ATOM 0 HD12 ILE A 43 -2.500 4.901 -1.329 1.00 0.15 H new ATOM 0 HD13 ILE A 43 -2.181 5.786 -2.840 1.00 0.15 H new ATOM 713 N ILE A 44 -0.023 2.881 -5.505 1.00 0.08 N ATOM 714 CA ILE A 44 1.182 2.211 -5.963 1.00 0.09 C ATOM 715 C ILE A 44 2.223 2.247 -4.859 1.00 0.11 C ATOM 716 O ILE A 44 2.406 3.279 -4.243 1.00 0.19 O ATOM 717 CB ILE A 44 1.762 2.931 -7.196 1.00 0.14 C ATOM 718 CG1 ILE A 44 0.635 3.330 -8.151 1.00 0.19 C ATOM 719 CG2 ILE A 44 2.779 2.047 -7.897 1.00 0.19 C ATOM 720 CD1 ILE A 44 1.100 4.009 -9.416 1.00 0.22 C ATOM 0 H ILE A 44 0.119 3.859 -5.252 1.00 0.08 H new ATOM 0 HA ILE A 44 0.931 1.183 -6.225 1.00 0.09 H new ATOM 0 HB ILE A 44 2.271 3.837 -6.868 1.00 0.14 H new ATOM 0 HG12 ILE A 44 0.070 2.438 -8.419 1.00 0.19 H new ATOM 0 HG13 ILE A 44 -0.050 3.996 -7.627 1.00 0.19 H new ATOM 0 HG21 ILE A 44 3.179 2.570 -8.765 1.00 0.19 H new ATOM 0 HG22 ILE A 44 3.591 1.811 -7.210 1.00 0.19 H new ATOM 0 HG23 ILE A 44 2.298 1.124 -8.220 1.00 0.19 H new ATOM 0 HD11 ILE A 44 0.237 4.257 -10.034 1.00 0.22 H new ATOM 0 HD12 ILE A 44 1.639 4.922 -9.162 1.00 0.22 H new ATOM 0 HD13 ILE A 44 1.760 3.339 -9.967 1.00 0.22 H new ATOM 732 N LEU A 45 2.911 1.150 -4.605 1.00 0.09 N ATOM 733 CA LEU A 45 3.943 1.144 -3.578 1.00 0.10 C ATOM 734 C LEU A 45 5.251 0.633 -4.152 1.00 0.12 C ATOM 735 O LEU A 45 5.261 -0.325 -4.924 1.00 0.16 O ATOM 736 CB LEU A 45 3.554 0.274 -2.371 1.00 0.11 C ATOM 737 CG LEU A 45 2.707 0.944 -1.281 1.00 0.14 C ATOM 738 CD1 LEU A 45 1.299 1.220 -1.764 1.00 0.17 C ATOM 739 CD2 LEU A 45 2.661 0.073 -0.036 1.00 0.23 C ATOM 0 H LEU A 45 2.779 0.261 -5.087 1.00 0.09 H new ATOM 0 HA LEU A 45 4.057 2.173 -3.236 1.00 0.10 H new ATOM 0 HB2 LEU A 45 3.008 -0.594 -2.740 1.00 0.11 H new ATOM 0 HB3 LEU A 45 4.470 -0.097 -1.910 1.00 0.11 H new ATOM 0 HG LEU A 45 3.177 1.897 -1.039 1.00 0.14 H new ATOM 0 HD11 LEU A 45 0.727 1.695 -0.967 1.00 0.17 H new ATOM 0 HD12 LEU A 45 1.334 1.882 -2.629 1.00 0.17 H new ATOM 0 HD13 LEU A 45 0.820 0.282 -2.045 1.00 0.17 H new ATOM 0 HD21 LEU A 45 2.057 0.562 0.728 1.00 0.23 H new ATOM 0 HD22 LEU A 45 2.221 -0.893 -0.284 1.00 0.23 H new ATOM 0 HD23 LEU A 45 3.673 -0.075 0.342 1.00 0.23 H new ATOM 751 N LYS A 46 6.340 1.292 -3.798 1.00 0.15 N ATOM 752 CA LYS A 46 7.670 0.803 -4.129 1.00 0.24 C ATOM 753 C LYS A 46 8.658 1.363 -3.135 1.00 0.25 C ATOM 754 O LYS A 46 8.361 2.328 -2.425 1.00 0.41 O ATOM 755 CB LYS A 46 8.081 1.161 -5.569 1.00 0.45 C ATOM 756 CG LYS A 46 8.634 2.567 -5.742 1.00 0.81 C ATOM 757 CD LYS A 46 7.542 3.619 -5.724 1.00 1.10 C ATOM 758 CE LYS A 46 7.892 4.760 -4.789 1.00 1.19 C ATOM 759 NZ LYS A 46 9.288 5.239 -4.975 1.00 1.52 N ATOM 0 H LYS A 46 6.331 2.170 -3.280 1.00 0.15 H new ATOM 0 HA LYS A 46 7.661 -0.285 -4.072 1.00 0.24 H new ATOM 0 HB2 LYS A 46 8.832 0.446 -5.906 1.00 0.45 H new ATOM 0 HB3 LYS A 46 7.214 1.044 -6.219 1.00 0.45 H new ATOM 0 HG2 LYS A 46 9.349 2.775 -4.946 1.00 0.81 H new ATOM 0 HG3 LYS A 46 9.179 2.628 -6.684 1.00 0.81 H new ATOM 0 HD2 LYS A 46 7.390 4.005 -6.732 1.00 1.10 H new ATOM 0 HD3 LYS A 46 6.602 3.165 -5.411 1.00 1.10 H new ATOM 0 HE2 LYS A 46 7.202 5.587 -4.956 1.00 1.19 H new ATOM 0 HE3 LYS A 46 7.757 4.435 -3.757 1.00 1.19 H new ATOM 0 HZ1 LYS A 46 9.345 6.247 -4.727 1.00 1.52 H new ATOM 0 HZ2 LYS A 46 9.927 4.695 -4.361 1.00 1.52 H new ATOM 0 HZ3 LYS A 46 9.570 5.110 -5.968 1.00 1.52 H new ATOM 773 N LYS A 47 9.816 0.750 -3.074 1.00 0.23 N ATOM 774 CA LYS A 47 10.846 1.173 -2.147 1.00 0.25 C ATOM 775 C LYS A 47 11.377 2.550 -2.543 1.00 0.27 C ATOM 776 O LYS A 47 11.195 2.998 -3.679 1.00 0.39 O ATOM 777 CB LYS A 47 11.967 0.134 -2.089 1.00 0.33 C ATOM 778 CG LYS A 47 12.668 0.096 -0.746 1.00 0.40 C ATOM 779 CD LYS A 47 13.923 0.944 -0.739 1.00 0.44 C ATOM 780 CE LYS A 47 15.167 0.094 -0.942 1.00 0.77 C ATOM 781 NZ LYS A 47 15.408 -0.819 0.201 1.00 0.53 N ATOM 0 H LYS A 47 10.072 -0.047 -3.657 1.00 0.23 H new ATOM 0 HA LYS A 47 10.417 1.254 -1.148 1.00 0.25 H new ATOM 0 HB2 LYS A 47 11.554 -0.851 -2.305 1.00 0.33 H new ATOM 0 HB3 LYS A 47 12.697 0.351 -2.868 1.00 0.33 H new ATOM 0 HG2 LYS A 47 11.987 0.449 0.029 1.00 0.40 H new ATOM 0 HG3 LYS A 47 12.925 -0.934 -0.500 1.00 0.40 H new ATOM 0 HD2 LYS A 47 13.861 1.695 -1.527 1.00 0.44 H new ATOM 0 HD3 LYS A 47 13.997 1.480 0.207 1.00 0.44 H new ATOM 0 HE2 LYS A 47 15.062 -0.490 -1.856 1.00 0.77 H new ATOM 0 HE3 LYS A 47 16.032 0.743 -1.076 1.00 0.77 H new ATOM 0 HZ1 LYS A 47 16.110 -1.537 -0.070 1.00 0.53 H new ATOM 0 HZ2 LYS A 47 15.765 -0.274 1.011 1.00 0.53 H new ATOM 0 HZ3 LYS A 47 14.518 -1.288 0.465 1.00 0.53 H new ATOM 795 N TYR A 48 12.033 3.224 -1.610 1.00 0.23 N ATOM 796 CA TYR A 48 12.416 4.614 -1.814 1.00 0.29 C ATOM 797 C TYR A 48 13.731 4.708 -2.572 1.00 0.38 C ATOM 798 O TYR A 48 13.830 5.378 -3.600 1.00 0.41 O ATOM 799 CB TYR A 48 12.543 5.303 -0.458 1.00 0.36 C ATOM 800 CG TYR A 48 12.754 6.799 -0.523 1.00 0.53 C ATOM 801 CD1 TYR A 48 11.808 7.632 -1.110 1.00 1.15 C ATOM 802 CD2 TYR A 48 13.891 7.378 0.021 1.00 1.37 C ATOM 803 CE1 TYR A 48 11.996 9.000 -1.155 1.00 1.26 C ATOM 804 CE2 TYR A 48 14.083 8.745 -0.014 1.00 1.49 C ATOM 805 CZ TYR A 48 13.133 9.551 -0.604 1.00 0.93 C ATOM 806 OH TYR A 48 13.320 10.915 -0.636 1.00 1.14 O ATOM 0 H TYR A 48 12.310 2.834 -0.709 1.00 0.23 H new ATOM 0 HA TYR A 48 11.648 5.109 -2.408 1.00 0.29 H new ATOM 0 HB2 TYR A 48 11.642 5.102 0.121 1.00 0.36 H new ATOM 0 HB3 TYR A 48 13.376 4.856 0.084 1.00 0.36 H new ATOM 0 HD1 TYR A 48 10.913 7.203 -1.537 1.00 1.15 H new ATOM 0 HD2 TYR A 48 14.639 6.749 0.480 1.00 1.37 H new ATOM 0 HE1 TYR A 48 11.256 9.635 -1.620 1.00 1.26 H new ATOM 0 HE2 TYR A 48 14.972 9.180 0.418 1.00 1.49 H new ATOM 0 HH TYR A 48 14.171 11.139 -0.204 1.00 1.14 H new ATOM 816 N LYS A 49 14.720 3.998 -2.054 1.00 0.45 N ATOM 817 CA LYS A 49 16.083 4.022 -2.576 1.00 0.63 C ATOM 818 C LYS A 49 16.176 3.745 -4.090 1.00 0.71 C ATOM 819 O LYS A 49 16.878 4.476 -4.788 1.00 0.82 O ATOM 820 CB LYS A 49 16.942 3.022 -1.805 1.00 0.70 C ATOM 821 CG LYS A 49 18.430 3.261 -1.964 1.00 0.99 C ATOM 822 CD LYS A 49 19.244 2.275 -1.148 1.00 1.63 C ATOM 823 CE LYS A 49 20.702 2.696 -1.074 1.00 2.21 C ATOM 824 NZ LYS A 49 20.862 4.000 -0.374 1.00 3.15 N ATOM 0 H LYS A 49 14.601 3.381 -1.250 1.00 0.45 H new ATOM 0 HA LYS A 49 16.454 5.037 -2.434 1.00 0.63 H new ATOM 0 HB2 LYS A 49 16.684 3.072 -0.747 1.00 0.70 H new ATOM 0 HB3 LYS A 49 16.705 2.013 -2.143 1.00 0.70 H new ATOM 0 HG2 LYS A 49 18.702 3.176 -3.016 1.00 0.99 H new ATOM 0 HG3 LYS A 49 18.671 4.278 -1.654 1.00 0.99 H new ATOM 0 HD2 LYS A 49 18.832 2.204 -0.142 1.00 1.63 H new ATOM 0 HD3 LYS A 49 19.171 1.283 -1.593 1.00 1.63 H new ATOM 0 HE2 LYS A 49 21.276 1.930 -0.553 1.00 2.21 H new ATOM 0 HE3 LYS A 49 21.111 2.771 -2.082 1.00 2.21 H new ATOM 0 HZ1 LYS A 49 21.594 3.913 0.360 1.00 3.15 H new ATOM 0 HZ2 LYS A 49 21.144 4.730 -1.059 1.00 3.15 H new ATOM 0 HZ3 LYS A 49 19.960 4.270 0.067 1.00 3.15 H new ATOM 838 N PRO A 50 15.497 2.698 -4.630 1.00 0.73 N ATOM 839 CA PRO A 50 15.575 2.362 -6.063 1.00 0.90 C ATOM 840 C PRO A 50 15.220 3.528 -6.988 1.00 1.00 C ATOM 841 O PRO A 50 15.676 3.580 -8.131 1.00 1.56 O ATOM 842 CB PRO A 50 14.559 1.232 -6.229 1.00 0.99 C ATOM 843 CG PRO A 50 14.465 0.614 -4.883 1.00 0.85 C ATOM 844 CD PRO A 50 14.641 1.740 -3.907 1.00 0.65 C ATOM 0 HA PRO A 50 16.594 2.093 -6.341 1.00 0.90 H new ATOM 0 HB2 PRO A 50 13.592 1.613 -6.559 1.00 0.99 H new ATOM 0 HB3 PRO A 50 14.888 0.509 -6.975 1.00 0.99 H new ATOM 0 HG2 PRO A 50 13.502 0.122 -4.744 1.00 0.85 H new ATOM 0 HG3 PRO A 50 15.234 -0.146 -4.747 1.00 0.85 H new ATOM 0 HD2 PRO A 50 13.685 2.185 -3.633 1.00 0.65 H new ATOM 0 HD3 PRO A 50 15.111 1.400 -2.984 1.00 0.65 H new ATOM 852 N HIS A 51 14.413 4.463 -6.503 1.00 1.42 N ATOM 853 CA HIS A 51 14.026 5.608 -7.320 1.00 1.56 C ATOM 854 C HIS A 51 14.748 6.867 -6.848 1.00 1.82 C ATOM 855 O HIS A 51 14.643 7.924 -7.468 1.00 2.35 O ATOM 856 CB HIS A 51 12.507 5.815 -7.279 1.00 2.08 C ATOM 857 CG HIS A 51 11.984 6.678 -8.394 1.00 3.08 C ATOM 858 ND1 HIS A 51 11.488 7.946 -8.201 1.00 3.93 N ATOM 859 CD2 HIS A 51 11.883 6.442 -9.725 1.00 3.73 C ATOM 860 CE1 HIS A 51 11.105 8.451 -9.357 1.00 4.77 C ATOM 861 NE2 HIS A 51 11.333 7.560 -10.301 1.00 4.67 N ATOM 0 H HIS A 51 14.018 4.454 -5.563 1.00 1.42 H new ATOM 0 HA HIS A 51 14.316 5.407 -8.351 1.00 1.56 H new ATOM 0 HB2 HIS A 51 12.016 4.843 -7.323 1.00 2.08 H new ATOM 0 HB3 HIS A 51 12.236 6.266 -6.325 1.00 2.08 H new ATOM 0 HD1 HIS A 51 11.426 8.423 -7.301 1.00 3.93 H new ATOM 0 HD2 HIS A 51 12.181 5.540 -10.238 1.00 3.73 H new ATOM 0 HE1 HIS A 51 10.676 9.431 -9.506 1.00 4.77 H new ATOM 870 N GLY A 52 15.490 6.741 -5.754 1.00 2.13 N ATOM 871 CA GLY A 52 16.206 7.873 -5.200 1.00 2.84 C ATOM 872 C GLY A 52 15.309 8.775 -4.387 1.00 2.91 C ATOM 873 O GLY A 52 15.420 8.853 -3.162 1.00 3.15 O ATOM 0 H GLY A 52 15.608 5.869 -5.238 1.00 2.13 H new ATOM 0 HA2 GLY A 52 17.021 7.513 -4.572 1.00 2.84 H new ATOM 0 HA3 GLY A 52 16.657 8.447 -6.010 1.00 2.84 H new ATOM 877 N VAL A 53 14.427 9.452 -5.093 1.00 3.09 N ATOM 878 CA VAL A 53 13.471 10.371 -4.499 1.00 3.28 C ATOM 879 C VAL A 53 12.102 10.137 -5.125 1.00 2.62 C ATOM 880 O VAL A 53 11.989 9.390 -6.096 1.00 2.42 O ATOM 881 CB VAL A 53 13.928 11.841 -4.705 1.00 4.14 C ATOM 882 CG1 VAL A 53 13.814 12.246 -6.166 1.00 4.29 C ATOM 883 CG2 VAL A 53 13.153 12.797 -3.809 1.00 4.59 C ATOM 0 H VAL A 53 14.351 9.381 -6.108 1.00 3.09 H new ATOM 0 HA VAL A 53 13.411 10.190 -3.426 1.00 3.28 H new ATOM 0 HB VAL A 53 14.978 11.903 -4.418 1.00 4.14 H new ATOM 0 HG11 VAL A 53 14.140 13.279 -6.284 1.00 4.29 H new ATOM 0 HG12 VAL A 53 14.443 11.596 -6.774 1.00 4.29 H new ATOM 0 HG13 VAL A 53 12.777 12.154 -6.489 1.00 4.29 H new ATOM 0 HG21 VAL A 53 13.499 13.817 -3.980 1.00 4.59 H new ATOM 0 HG22 VAL A 53 12.090 12.731 -4.040 1.00 4.59 H new ATOM 0 HG23 VAL A 53 13.315 12.529 -2.765 1.00 4.59 H new ATOM 893 N CYS A 54 11.082 10.737 -4.530 1.00 2.51 N ATOM 894 CA CYS A 54 9.703 10.651 -5.013 1.00 1.97 C ATOM 895 C CYS A 54 9.629 10.753 -6.538 1.00 1.82 C ATOM 896 O CYS A 54 9.933 11.839 -7.086 1.00 2.05 O ATOM 897 CB CYS A 54 8.859 11.755 -4.366 1.00 2.32 C ATOM 898 SG CYS A 54 9.536 13.419 -4.581 1.00 3.01 S ATOM 899 OXT CYS A 54 9.268 9.744 -7.184 1.00 2.32 O ATOM 0 H CYS A 54 11.185 11.305 -3.689 1.00 2.51 H new ATOM 0 HA CYS A 54 9.307 9.675 -4.731 1.00 1.97 H new ATOM 0 HB2 CYS A 54 7.855 11.725 -4.788 1.00 2.32 H new ATOM 0 HB3 CYS A 54 8.763 11.548 -3.300 1.00 2.32 H new ATOM 0 HG CYS A 54 10.056 13.526 -5.768 1.00 3.01 H new TER 905 CYS A 54 ATOM 906 N MET B 1 9.139 14.043 -8.726 1.00 2.50 N ATOM 907 CA MET B 1 7.937 14.160 -7.871 1.00 2.21 C ATOM 908 C MET B 1 7.111 12.889 -7.970 1.00 1.71 C ATOM 909 O MET B 1 7.314 12.083 -8.877 1.00 2.31 O ATOM 910 CB MET B 1 7.095 15.378 -8.266 1.00 2.56 C ATOM 911 CG MET B 1 6.477 15.295 -9.652 1.00 3.07 C ATOM 912 SD MET B 1 5.458 16.734 -10.034 1.00 3.74 S ATOM 913 CE MET B 1 4.900 16.327 -11.689 1.00 4.38 C ATOM 0 H1 MET B 1 9.693 14.921 -8.669 1.00 2.50 H new ATOM 0 H2 MET B 1 9.721 13.245 -8.400 1.00 2.50 H new ATOM 0 H3 MET B 1 8.849 13.880 -9.712 1.00 2.50 H new ATOM 0 HA MET B 1 8.259 14.299 -6.839 1.00 2.21 H new ATOM 0 HB2 MET B 1 6.298 15.505 -7.534 1.00 2.56 H new ATOM 0 HB3 MET B 1 7.721 16.269 -8.214 1.00 2.56 H new ATOM 0 HG2 MET B 1 7.269 15.205 -10.396 1.00 3.07 H new ATOM 0 HG3 MET B 1 5.869 14.393 -9.723 1.00 3.07 H new ATOM 0 HE1 MET B 1 4.258 17.124 -12.063 1.00 4.38 H new ATOM 0 HE2 MET B 1 5.762 16.217 -12.347 1.00 4.38 H new ATOM 0 HE3 MET B 1 4.341 15.392 -11.665 1.00 4.38 H new ATOM 925 N LYS B 2 6.167 12.712 -7.057 1.00 1.10 N ATOM 926 CA LYS B 2 5.439 11.459 -6.975 1.00 0.64 C ATOM 927 C LYS B 2 3.960 11.626 -7.287 1.00 0.56 C ATOM 928 O LYS B 2 3.547 11.600 -8.443 1.00 1.00 O ATOM 929 CB LYS B 2 5.600 10.829 -5.587 1.00 0.80 C ATOM 930 CG LYS B 2 6.388 9.536 -5.609 1.00 0.68 C ATOM 931 CD LYS B 2 5.625 8.444 -6.331 1.00 0.88 C ATOM 932 CE LYS B 2 6.561 7.401 -6.905 1.00 1.04 C ATOM 933 NZ LYS B 2 7.479 7.987 -7.920 1.00 1.73 N ATOM 0 H LYS B 2 5.891 13.414 -6.370 1.00 1.10 H new ATOM 0 HA LYS B 2 5.868 10.800 -7.730 1.00 0.64 H new ATOM 0 HB2 LYS B 2 6.098 11.540 -4.928 1.00 0.80 H new ATOM 0 HB3 LYS B 2 4.613 10.639 -5.164 1.00 0.80 H new ATOM 0 HG2 LYS B 2 7.347 9.699 -6.100 1.00 0.68 H new ATOM 0 HG3 LYS B 2 6.603 9.220 -4.588 1.00 0.68 H new ATOM 0 HD2 LYS B 2 4.928 7.969 -5.641 1.00 0.88 H new ATOM 0 HD3 LYS B 2 5.031 8.883 -7.133 1.00 0.88 H new ATOM 0 HE2 LYS B 2 7.145 6.954 -6.101 1.00 1.04 H new ATOM 0 HE3 LYS B 2 5.979 6.600 -7.360 1.00 1.04 H new ATOM 0 HZ1 LYS B 2 7.870 7.228 -8.514 1.00 1.73 H new ATOM 0 HZ2 LYS B 2 6.954 8.657 -8.517 1.00 1.73 H new ATOM 0 HZ3 LYS B 2 8.255 8.486 -7.440 1.00 1.73 H new ATOM 947 N SER B 3 3.187 11.827 -6.237 1.00 0.56 N ATOM 948 CA SER B 3 1.738 11.785 -6.298 1.00 0.42 C ATOM 949 C SER B 3 1.219 12.022 -4.893 1.00 0.34 C ATOM 950 O SER B 3 0.315 12.824 -4.658 1.00 0.45 O ATOM 951 CB SER B 3 1.271 10.425 -6.827 1.00 0.50 C ATOM 952 OG SER B 3 -0.129 10.382 -7.004 1.00 0.75 O ATOM 0 H SER B 3 3.552 12.027 -5.306 1.00 0.56 H new ATOM 0 HA SER B 3 1.356 12.549 -6.976 1.00 0.42 H new ATOM 0 HB2 SER B 3 1.764 10.216 -7.777 1.00 0.50 H new ATOM 0 HB3 SER B 3 1.573 9.642 -6.132 1.00 0.50 H new ATOM 0 HG SER B 3 -0.340 9.900 -7.831 1.00 0.75 H new ATOM 958 N ILE B 4 1.829 11.307 -3.960 1.00 0.30 N ATOM 959 CA ILE B 4 1.619 11.546 -2.547 1.00 0.28 C ATOM 960 C ILE B 4 2.908 12.103 -1.954 1.00 0.31 C ATOM 961 O ILE B 4 2.892 12.956 -1.069 1.00 0.37 O ATOM 962 CB ILE B 4 1.243 10.251 -1.806 1.00 0.25 C ATOM 963 CG1 ILE B 4 0.393 9.351 -2.710 1.00 0.26 C ATOM 964 CG2 ILE B 4 0.497 10.585 -0.524 1.00 0.28 C ATOM 965 CD1 ILE B 4 -0.080 8.077 -2.044 1.00 0.28 C ATOM 0 H ILE B 4 2.480 10.549 -4.163 1.00 0.30 H new ATOM 0 HA ILE B 4 0.797 12.252 -2.431 1.00 0.28 H new ATOM 0 HB ILE B 4 2.154 9.712 -1.547 1.00 0.25 H new ATOM 0 HG12 ILE B 4 -0.476 9.914 -3.052 1.00 0.26 H new ATOM 0 HG13 ILE B 4 0.973 9.092 -3.596 1.00 0.26 H new ATOM 0 HG21 ILE B 4 0.234 9.663 -0.005 1.00 0.28 H new ATOM 0 HG22 ILE B 4 1.132 11.195 0.118 1.00 0.28 H new ATOM 0 HG23 ILE B 4 -0.411 11.137 -0.765 1.00 0.28 H new ATOM 0 HD11 ILE B 4 -0.674 7.497 -2.750 1.00 0.28 H new ATOM 0 HD12 ILE B 4 0.782 7.490 -1.727 1.00 0.28 H new ATOM 0 HD13 ILE B 4 -0.689 8.325 -1.175 1.00 0.28 H new ATOM 977 N GLY B 5 4.025 11.611 -2.491 1.00 0.33 N ATOM 978 CA GLY B 5 5.341 12.048 -2.056 1.00 0.38 C ATOM 979 C GLY B 5 5.604 11.708 -0.609 1.00 0.34 C ATOM 980 O GLY B 5 6.089 12.539 0.159 1.00 0.46 O ATOM 0 H GLY B 5 4.039 10.908 -3.230 1.00 0.33 H new ATOM 0 HA2 GLY B 5 6.102 11.582 -2.681 1.00 0.38 H new ATOM 0 HA3 GLY B 5 5.429 13.125 -2.196 1.00 0.38 H new ATOM 984 N VAL B 6 5.271 10.485 -0.234 1.00 0.24 N ATOM 985 CA VAL B 6 5.460 10.030 1.129 1.00 0.22 C ATOM 986 C VAL B 6 6.067 8.633 1.156 1.00 0.21 C ATOM 987 O VAL B 6 5.703 7.768 0.361 1.00 0.25 O ATOM 988 CB VAL B 6 4.137 10.020 1.930 1.00 0.22 C ATOM 989 CG1 VAL B 6 3.633 11.435 2.176 1.00 0.26 C ATOM 990 CG2 VAL B 6 3.081 9.206 1.209 1.00 0.20 C ATOM 0 H VAL B 6 4.867 9.788 -0.859 1.00 0.24 H new ATOM 0 HA VAL B 6 6.142 10.738 1.599 1.00 0.22 H new ATOM 0 HB VAL B 6 4.337 9.557 2.896 1.00 0.22 H new ATOM 0 HG11 VAL B 6 2.702 11.396 2.741 1.00 0.26 H new ATOM 0 HG12 VAL B 6 4.378 11.993 2.742 1.00 0.26 H new ATOM 0 HG13 VAL B 6 3.458 11.930 1.221 1.00 0.26 H new ATOM 0 HG21 VAL B 6 2.158 9.212 1.789 1.00 0.20 H new ATOM 0 HG22 VAL B 6 2.895 9.640 0.227 1.00 0.20 H new ATOM 0 HG23 VAL B 6 3.430 8.180 1.092 1.00 0.20 H new ATOM 1000 N VAL B 7 6.977 8.428 2.089 1.00 0.18 N ATOM 1001 CA VAL B 7 7.608 7.135 2.284 1.00 0.16 C ATOM 1002 C VAL B 7 7.407 6.706 3.729 1.00 0.18 C ATOM 1003 O VAL B 7 7.428 7.538 4.637 1.00 0.23 O ATOM 1004 CB VAL B 7 9.116 7.153 1.929 1.00 0.17 C ATOM 1005 CG1 VAL B 7 9.896 8.092 2.835 1.00 0.20 C ATOM 1006 CG2 VAL B 7 9.700 5.751 1.979 1.00 0.19 C ATOM 0 H VAL B 7 7.300 9.151 2.732 1.00 0.18 H new ATOM 0 HA VAL B 7 7.139 6.420 1.608 1.00 0.16 H new ATOM 0 HB VAL B 7 9.206 7.529 0.910 1.00 0.17 H new ATOM 0 HG11 VAL B 7 10.949 8.077 2.555 1.00 0.20 H new ATOM 0 HG12 VAL B 7 9.507 9.105 2.730 1.00 0.20 H new ATOM 0 HG13 VAL B 7 9.792 7.768 3.871 1.00 0.20 H new ATOM 0 HG21 VAL B 7 10.760 5.789 1.726 1.00 0.19 H new ATOM 0 HG22 VAL B 7 9.581 5.343 2.983 1.00 0.19 H new ATOM 0 HG23 VAL B 7 9.179 5.114 1.264 1.00 0.19 H new ATOM 1016 N ARG B 8 7.167 5.425 3.936 1.00 0.15 N ATOM 1017 CA ARG B 8 6.865 4.906 5.255 1.00 0.16 C ATOM 1018 C ARG B 8 7.880 3.862 5.644 1.00 0.16 C ATOM 1019 O ARG B 8 8.440 3.181 4.788 1.00 0.16 O ATOM 1020 CB ARG B 8 5.456 4.297 5.295 1.00 0.16 C ATOM 1021 CG ARG B 8 4.374 5.272 5.731 1.00 0.18 C ATOM 1022 CD ARG B 8 4.449 6.574 4.957 1.00 0.23 C ATOM 1023 NE ARG B 8 3.546 7.605 5.468 1.00 0.50 N ATOM 1024 CZ ARG B 8 3.892 8.890 5.579 1.00 0.51 C ATOM 1025 NH1 ARG B 8 5.137 9.267 5.302 1.00 0.80 N ATOM 1026 NH2 ARG B 8 3.009 9.792 5.991 1.00 0.82 N ATOM 0 H ARG B 8 7.176 4.719 3.199 1.00 0.15 H new ATOM 0 HA ARG B 8 6.905 5.733 5.963 1.00 0.16 H new ATOM 0 HB2 ARG B 8 5.208 3.914 4.305 1.00 0.16 H new ATOM 0 HB3 ARG B 8 5.459 3.445 5.975 1.00 0.16 H new ATOM 0 HG2 ARG B 8 3.394 4.818 5.585 1.00 0.18 H new ATOM 0 HG3 ARG B 8 4.475 5.476 6.797 1.00 0.18 H new ATOM 0 HD2 ARG B 8 5.472 6.949 4.989 1.00 0.23 H new ATOM 0 HD3 ARG B 8 4.213 6.380 3.911 1.00 0.23 H new ATOM 0 HE ARG B 8 2.606 7.329 5.753 1.00 0.50 H new ATOM 0 HH11 ARG B 8 5.825 8.575 5.005 1.00 0.80 H new ATOM 0 HH12 ARG B 8 5.403 10.248 5.386 1.00 0.80 H new ATOM 0 HH21 ARG B 8 2.059 9.505 6.225 1.00 0.82 H new ATOM 0 HH22 ARG B 8 3.281 10.772 6.073 1.00 0.82 H new ATOM 1040 N LYS B 9 8.147 3.770 6.925 1.00 0.18 N ATOM 1041 CA LYS B 9 9.001 2.724 7.438 1.00 0.19 C ATOM 1042 C LYS B 9 8.150 1.652 8.097 1.00 0.19 C ATOM 1043 O LYS B 9 7.360 1.944 9.000 1.00 0.23 O ATOM 1044 CB LYS B 9 10.022 3.305 8.421 1.00 0.22 C ATOM 1045 CG LYS B 9 10.868 4.430 7.825 1.00 0.25 C ATOM 1046 CD LYS B 9 11.432 4.046 6.460 1.00 0.25 C ATOM 1047 CE LYS B 9 12.289 5.148 5.852 1.00 0.68 C ATOM 1048 NZ LYS B 9 13.600 5.292 6.536 1.00 0.91 N ATOM 0 H LYS B 9 7.784 4.408 7.633 1.00 0.18 H new ATOM 0 HA LYS B 9 9.554 2.270 6.616 1.00 0.19 H new ATOM 0 HB2 LYS B 9 9.496 3.682 9.298 1.00 0.22 H new ATOM 0 HB3 LYS B 9 10.681 2.507 8.762 1.00 0.22 H new ATOM 0 HG2 LYS B 9 10.261 5.330 7.728 1.00 0.25 H new ATOM 0 HG3 LYS B 9 11.687 4.669 8.504 1.00 0.25 H new ATOM 0 HD2 LYS B 9 12.029 3.139 6.559 1.00 0.25 H new ATOM 0 HD3 LYS B 9 10.610 3.814 5.783 1.00 0.25 H new ATOM 0 HE2 LYS B 9 12.455 4.934 4.796 1.00 0.68 H new ATOM 0 HE3 LYS B 9 11.750 6.094 5.904 1.00 0.68 H new ATOM 0 HZ1 LYS B 9 14.145 6.054 6.085 1.00 0.91 H new ATOM 0 HZ2 LYS B 9 13.445 5.523 7.538 1.00 0.91 H new ATOM 0 HZ3 LYS B 9 14.129 4.399 6.464 1.00 0.91 H new ATOM 1062 N VAL B 10 8.296 0.424 7.619 1.00 0.18 N ATOM 1063 CA VAL B 10 7.528 -0.703 8.127 1.00 0.19 C ATOM 1064 C VAL B 10 7.702 -0.854 9.636 1.00 0.20 C ATOM 1065 O VAL B 10 8.796 -0.667 10.165 1.00 0.23 O ATOM 1066 CB VAL B 10 7.934 -2.021 7.415 1.00 0.21 C ATOM 1067 CG1 VAL B 10 7.474 -3.236 8.196 1.00 0.27 C ATOM 1068 CG2 VAL B 10 7.358 -2.072 6.011 1.00 0.25 C ATOM 0 H VAL B 10 8.947 0.182 6.872 1.00 0.18 H new ATOM 0 HA VAL B 10 6.478 -0.501 7.917 1.00 0.19 H new ATOM 0 HB VAL B 10 9.022 -2.037 7.358 1.00 0.21 H new ATOM 0 HG11 VAL B 10 7.774 -4.142 7.670 1.00 0.27 H new ATOM 0 HG12 VAL B 10 7.928 -3.225 9.187 1.00 0.27 H new ATOM 0 HG13 VAL B 10 6.389 -3.216 8.294 1.00 0.27 H new ATOM 0 HG21 VAL B 10 7.655 -3.004 5.530 1.00 0.25 H new ATOM 0 HG22 VAL B 10 6.270 -2.020 6.062 1.00 0.25 H new ATOM 0 HG23 VAL B 10 7.735 -1.229 5.432 1.00 0.25 H new ATOM 1078 N ASP B 11 6.595 -1.128 10.317 1.00 0.20 N ATOM 1079 CA ASP B 11 6.613 -1.462 11.738 1.00 0.21 C ATOM 1080 C ASP B 11 7.616 -2.585 12.006 1.00 0.22 C ATOM 1081 O ASP B 11 8.732 -2.333 12.455 1.00 0.25 O ATOM 1082 CB ASP B 11 5.192 -1.864 12.172 1.00 0.26 C ATOM 1083 CG ASP B 11 5.134 -2.615 13.489 1.00 1.13 C ATOM 1084 OD1 ASP B 11 5.212 -1.973 14.554 1.00 1.95 O ATOM 1085 OD2 ASP B 11 4.979 -3.856 13.453 1.00 1.86 O ATOM 0 H ASP B 11 5.663 -1.125 9.903 1.00 0.20 H new ATOM 0 HA ASP B 11 6.929 -0.597 12.321 1.00 0.21 H new ATOM 0 HB2 ASP B 11 4.580 -0.965 12.252 1.00 0.26 H new ATOM 0 HB3 ASP B 11 4.748 -2.484 11.393 1.00 0.26 H new ATOM 1090 N GLU B 12 7.197 -3.811 11.719 1.00 0.25 N ATOM 1091 CA GLU B 12 8.051 -5.000 11.770 1.00 0.28 C ATOM 1092 C GLU B 12 7.425 -6.041 10.866 1.00 0.28 C ATOM 1093 O GLU B 12 8.076 -6.650 10.018 1.00 0.32 O ATOM 1094 CB GLU B 12 8.132 -5.583 13.190 1.00 0.31 C ATOM 1095 CG GLU B 12 8.687 -4.639 14.237 1.00 0.35 C ATOM 1096 CD GLU B 12 8.620 -5.218 15.633 1.00 0.38 C ATOM 1097 OE1 GLU B 12 9.537 -5.972 16.019 1.00 1.20 O ATOM 1098 OE2 GLU B 12 7.649 -4.920 16.358 1.00 1.11 O ATOM 0 H GLU B 12 6.238 -4.015 11.439 1.00 0.25 H new ATOM 0 HA GLU B 12 9.059 -4.728 11.458 1.00 0.28 H new ATOM 0 HB2 GLU B 12 7.134 -5.895 13.496 1.00 0.31 H new ATOM 0 HB3 GLU B 12 8.752 -6.479 13.164 1.00 0.31 H new ATOM 0 HG2 GLU B 12 9.723 -4.402 13.995 1.00 0.35 H new ATOM 0 HG3 GLU B 12 8.130 -3.702 14.209 1.00 0.35 H new ATOM 1105 N LEU B 13 6.127 -6.211 11.071 1.00 0.26 N ATOM 1106 CA LEU B 13 5.312 -7.144 10.309 1.00 0.25 C ATOM 1107 C LEU B 13 5.201 -6.692 8.858 1.00 0.21 C ATOM 1108 O LEU B 13 5.218 -7.497 7.927 1.00 0.24 O ATOM 1109 CB LEU B 13 3.910 -7.181 10.914 1.00 0.27 C ATOM 1110 CG LEU B 13 3.851 -7.208 12.439 1.00 0.32 C ATOM 1111 CD1 LEU B 13 2.428 -6.963 12.903 1.00 0.64 C ATOM 1112 CD2 LEU B 13 4.372 -8.531 12.979 1.00 0.62 C ATOM 0 H LEU B 13 5.604 -5.698 11.781 1.00 0.26 H new ATOM 0 HA LEU B 13 5.776 -8.130 10.344 1.00 0.25 H new ATOM 0 HB2 LEU B 13 3.359 -6.309 10.562 1.00 0.27 H new ATOM 0 HB3 LEU B 13 3.392 -8.061 10.532 1.00 0.27 H new ATOM 0 HG LEU B 13 4.490 -6.415 12.827 1.00 0.32 H new ATOM 0 HD11 LEU B 13 2.392 -6.983 13.992 1.00 0.64 H new ATOM 0 HD12 LEU B 13 2.092 -5.989 12.547 1.00 0.64 H new ATOM 0 HD13 LEU B 13 1.776 -7.740 12.504 1.00 0.64 H new ATOM 0 HD21 LEU B 13 4.320 -8.526 14.068 1.00 0.62 H new ATOM 0 HD22 LEU B 13 3.763 -9.348 12.591 1.00 0.62 H new ATOM 0 HD23 LEU B 13 5.407 -8.669 12.666 1.00 0.62 H new ATOM 1124 N GLY B 14 5.099 -5.383 8.689 1.00 0.17 N ATOM 1125 CA GLY B 14 4.816 -4.804 7.391 1.00 0.14 C ATOM 1126 C GLY B 14 3.786 -3.700 7.506 1.00 0.10 C ATOM 1127 O GLY B 14 3.389 -3.093 6.517 1.00 0.09 O ATOM 0 H GLY B 14 5.209 -4.701 9.440 1.00 0.17 H new ATOM 0 HA2 GLY B 14 5.734 -4.407 6.957 1.00 0.14 H new ATOM 0 HA3 GLY B 14 4.452 -5.577 6.715 1.00 0.14 H new ATOM 1131 N ARG B 15 3.370 -3.429 8.734 1.00 0.10 N ATOM 1132 CA ARG B 15 2.349 -2.428 9.000 1.00 0.10 C ATOM 1133 C ARG B 15 2.909 -1.026 8.761 1.00 0.09 C ATOM 1134 O ARG B 15 3.934 -0.660 9.334 1.00 0.12 O ATOM 1135 CB ARG B 15 1.865 -2.543 10.454 1.00 0.17 C ATOM 1136 CG ARG B 15 1.319 -3.915 10.823 1.00 0.23 C ATOM 1137 CD ARG B 15 0.890 -3.989 12.280 1.00 0.42 C ATOM 1138 NE ARG B 15 -0.193 -3.060 12.601 1.00 1.48 N ATOM 1139 CZ ARG B 15 -0.722 -2.934 13.819 1.00 1.80 C ATOM 1140 NH1 ARG B 15 -0.220 -3.619 14.840 1.00 1.45 N ATOM 1141 NH2 ARG B 15 -1.740 -2.107 14.020 1.00 2.89 N ATOM 0 H ARG B 15 3.728 -3.893 9.569 1.00 0.10 H new ATOM 0 HA ARG B 15 1.511 -2.599 8.325 1.00 0.10 H new ATOM 0 HB2 ARG B 15 2.693 -2.302 11.121 1.00 0.17 H new ATOM 0 HB3 ARG B 15 1.089 -1.797 10.627 1.00 0.17 H new ATOM 0 HG2 ARG B 15 0.468 -4.150 10.183 1.00 0.23 H new ATOM 0 HG3 ARG B 15 2.081 -4.671 10.631 1.00 0.23 H new ATOM 0 HD2 ARG B 15 0.570 -5.006 12.508 1.00 0.42 H new ATOM 0 HD3 ARG B 15 1.748 -3.774 12.918 1.00 0.42 H new ATOM 0 HE ARG B 15 -0.564 -2.476 11.852 1.00 1.48 H new ATOM 0 HH11 ARG B 15 0.573 -4.244 14.694 1.00 1.45 H new ATOM 0 HH12 ARG B 15 -0.627 -3.520 15.770 1.00 1.45 H new ATOM 0 HH21 ARG B 15 -2.119 -1.567 13.243 1.00 2.89 H new ATOM 0 HH22 ARG B 15 -2.143 -2.012 14.952 1.00 2.89 H new ATOM 1155 N ILE B 16 2.252 -0.257 7.897 1.00 0.09 N ATOM 1156 CA ILE B 16 2.650 1.121 7.630 1.00 0.09 C ATOM 1157 C ILE B 16 1.403 2.007 7.600 1.00 0.09 C ATOM 1158 O ILE B 16 0.289 1.525 7.800 1.00 0.10 O ATOM 1159 CB ILE B 16 3.452 1.267 6.301 1.00 0.09 C ATOM 1160 CG1 ILE B 16 2.512 1.398 5.098 1.00 0.11 C ATOM 1161 CG2 ILE B 16 4.408 0.097 6.108 1.00 0.10 C ATOM 1162 CD1 ILE B 16 3.214 1.325 3.757 1.00 0.12 C ATOM 0 H ILE B 16 1.437 -0.568 7.368 1.00 0.09 H new ATOM 0 HA ILE B 16 3.317 1.437 8.432 1.00 0.09 H new ATOM 0 HB ILE B 16 4.041 2.181 6.371 1.00 0.09 H new ATOM 0 HG12 ILE B 16 1.763 0.608 5.148 1.00 0.11 H new ATOM 0 HG13 ILE B 16 1.980 2.347 5.167 1.00 0.11 H new ATOM 0 HG21 ILE B 16 4.955 0.224 5.174 1.00 0.10 H new ATOM 0 HG22 ILE B 16 5.113 0.062 6.939 1.00 0.10 H new ATOM 0 HG23 ILE B 16 3.842 -0.834 6.073 1.00 0.10 H new ATOM 0 HD11 ILE B 16 2.481 1.426 2.957 1.00 0.12 H new ATOM 0 HD12 ILE B 16 3.944 2.131 3.684 1.00 0.12 H new ATOM 0 HD13 ILE B 16 3.723 0.366 3.664 1.00 0.12 H new ATOM 1174 N VAL B 17 1.577 3.292 7.349 1.00 0.09 N ATOM 1175 CA VAL B 17 0.458 4.221 7.394 1.00 0.09 C ATOM 1176 C VAL B 17 0.128 4.749 6.002 1.00 0.09 C ATOM 1177 O VAL B 17 0.925 5.459 5.383 1.00 0.13 O ATOM 1178 CB VAL B 17 0.715 5.401 8.372 1.00 0.10 C ATOM 1179 CG1 VAL B 17 2.084 6.024 8.146 1.00 0.12 C ATOM 1180 CG2 VAL B 17 -0.378 6.460 8.251 1.00 0.11 C ATOM 0 H VAL B 17 2.474 3.716 7.113 1.00 0.09 H new ATOM 0 HA VAL B 17 -0.400 3.663 7.770 1.00 0.09 H new ATOM 0 HB VAL B 17 0.693 4.995 9.383 1.00 0.10 H new ATOM 0 HG11 VAL B 17 2.230 6.846 8.847 1.00 0.12 H new ATOM 0 HG12 VAL B 17 2.857 5.271 8.303 1.00 0.12 H new ATOM 0 HG13 VAL B 17 2.148 6.402 7.126 1.00 0.12 H new ATOM 0 HG21 VAL B 17 -0.174 7.274 8.946 1.00 0.11 H new ATOM 0 HG22 VAL B 17 -0.397 6.848 7.233 1.00 0.11 H new ATOM 0 HG23 VAL B 17 -1.344 6.014 8.488 1.00 0.11 H new ATOM 1190 N MET B 18 -1.037 4.363 5.503 1.00 0.09 N ATOM 1191 CA MET B 18 -1.553 4.930 4.267 1.00 0.09 C ATOM 1192 C MET B 18 -2.157 6.284 4.599 1.00 0.08 C ATOM 1193 O MET B 18 -2.607 6.499 5.725 1.00 0.15 O ATOM 1194 CB MET B 18 -2.624 4.031 3.638 1.00 0.17 C ATOM 1195 CG MET B 18 -2.187 2.599 3.350 1.00 0.20 C ATOM 1196 SD MET B 18 -1.406 2.403 1.734 1.00 0.90 S ATOM 1197 CE MET B 18 0.283 2.880 2.055 1.00 0.50 C ATOM 0 H MET B 18 -1.640 3.662 5.933 1.00 0.09 H new ATOM 0 HA MET B 18 -0.741 5.023 3.546 1.00 0.09 H new ATOM 0 HB2 MET B 18 -3.487 4.003 4.303 1.00 0.17 H new ATOM 0 HB3 MET B 18 -2.955 4.487 2.705 1.00 0.17 H new ATOM 0 HG2 MET B 18 -1.491 2.276 4.124 1.00 0.20 H new ATOM 0 HG3 MET B 18 -3.055 1.943 3.408 1.00 0.20 H new ATOM 0 HE1 MET B 18 0.950 2.325 1.395 1.00 0.50 H new ATOM 0 HE2 MET B 18 0.400 3.948 1.873 1.00 0.50 H new ATOM 0 HE3 MET B 18 0.533 2.659 3.093 1.00 0.50 H new ATOM 1207 N PRO B 19 -2.178 7.226 3.659 1.00 0.09 N ATOM 1208 CA PRO B 19 -2.617 8.563 3.943 1.00 0.11 C ATOM 1209 C PRO B 19 -4.098 8.783 3.658 1.00 0.12 C ATOM 1210 O PRO B 19 -4.759 7.992 2.961 1.00 0.12 O ATOM 1211 CB PRO B 19 -1.743 9.403 3.009 1.00 0.14 C ATOM 1212 CG PRO B 19 -1.330 8.490 1.891 1.00 0.19 C ATOM 1213 CD PRO B 19 -1.779 7.086 2.258 1.00 0.14 C ATOM 0 HA PRO B 19 -2.516 8.816 4.999 1.00 0.11 H new ATOM 0 HB2 PRO B 19 -2.295 10.262 2.627 1.00 0.14 H new ATOM 0 HB3 PRO B 19 -0.872 9.792 3.536 1.00 0.14 H new ATOM 0 HG2 PRO B 19 -1.785 8.804 0.952 1.00 0.19 H new ATOM 0 HG3 PRO B 19 -0.250 8.522 1.749 1.00 0.19 H new ATOM 0 HD2 PRO B 19 -2.607 6.751 1.634 1.00 0.14 H new ATOM 0 HD3 PRO B 19 -0.975 6.360 2.138 1.00 0.14 H new ATOM 1221 N ILE B 20 -4.621 9.858 4.222 1.00 0.15 N ATOM 1222 CA ILE B 20 -5.960 10.319 3.916 1.00 0.17 C ATOM 1223 C ILE B 20 -6.163 10.413 2.406 1.00 0.16 C ATOM 1224 O ILE B 20 -7.258 10.189 1.910 1.00 0.17 O ATOM 1225 CB ILE B 20 -6.221 11.690 4.565 1.00 0.21 C ATOM 1226 CG1 ILE B 20 -7.586 12.241 4.148 1.00 0.25 C ATOM 1227 CG2 ILE B 20 -5.097 12.664 4.225 1.00 0.21 C ATOM 1228 CD1 ILE B 20 -8.753 11.511 4.780 1.00 0.27 C ATOM 0 H ILE B 20 -4.128 10.434 4.904 1.00 0.15 H new ATOM 0 HA ILE B 20 -6.668 9.597 4.322 1.00 0.17 H new ATOM 0 HB ILE B 20 -6.238 11.563 5.647 1.00 0.21 H new ATOM 0 HG12 ILE B 20 -7.640 13.296 4.416 1.00 0.25 H new ATOM 0 HG13 ILE B 20 -7.676 12.183 3.063 1.00 0.25 H new ATOM 0 HG21 ILE B 20 -5.298 13.628 4.692 1.00 0.21 H new ATOM 0 HG22 ILE B 20 -4.150 12.271 4.596 1.00 0.21 H new ATOM 0 HG23 ILE B 20 -5.039 12.789 3.144 1.00 0.21 H new ATOM 0 HD11 ILE B 20 -9.688 11.956 4.439 1.00 0.27 H new ATOM 0 HD12 ILE B 20 -8.724 10.460 4.491 1.00 0.27 H new ATOM 0 HD13 ILE B 20 -8.688 11.591 5.865 1.00 0.27 H new ATOM 1240 N GLU B 21 -5.086 10.714 1.680 1.00 0.16 N ATOM 1241 CA GLU B 21 -5.121 10.791 0.223 1.00 0.18 C ATOM 1242 C GLU B 21 -5.593 9.472 -0.367 1.00 0.14 C ATOM 1243 O GLU B 21 -6.319 9.453 -1.351 1.00 0.15 O ATOM 1244 CB GLU B 21 -3.728 11.098 -0.317 1.00 0.24 C ATOM 1245 CG GLU B 21 -2.833 11.781 0.699 1.00 0.22 C ATOM 1246 CD GLU B 21 -2.472 13.195 0.299 1.00 0.42 C ATOM 1247 OE1 GLU B 21 -1.493 13.376 -0.452 1.00 0.98 O ATOM 1248 OE2 GLU B 21 -3.174 14.130 0.732 1.00 1.23 O ATOM 0 H GLU B 21 -4.170 10.910 2.085 1.00 0.16 H new ATOM 0 HA GLU B 21 -5.813 11.585 -0.060 1.00 0.18 H new ATOM 0 HB2 GLU B 21 -3.258 10.170 -0.641 1.00 0.24 H new ATOM 0 HB3 GLU B 21 -3.818 11.733 -1.198 1.00 0.24 H new ATOM 0 HG2 GLU B 21 -3.335 11.798 1.666 1.00 0.22 H new ATOM 0 HG3 GLU B 21 -1.920 11.198 0.824 1.00 0.22 H new ATOM 1255 N LEU B 22 -5.187 8.374 0.264 1.00 0.13 N ATOM 1256 CA LEU B 22 -5.594 7.046 -0.166 1.00 0.13 C ATOM 1257 C LEU B 22 -7.073 6.866 0.094 1.00 0.14 C ATOM 1258 O LEU B 22 -7.814 6.372 -0.753 1.00 0.16 O ATOM 1259 CB LEU B 22 -4.787 5.968 0.574 1.00 0.13 C ATOM 1260 CG LEU B 22 -5.517 4.638 0.808 1.00 0.15 C ATOM 1261 CD1 LEU B 22 -4.606 3.463 0.495 1.00 0.15 C ATOM 1262 CD2 LEU B 22 -6.008 4.555 2.248 1.00 0.21 C ATOM 0 H LEU B 22 -4.573 8.382 1.079 1.00 0.13 H new ATOM 0 HA LEU B 22 -5.400 6.942 -1.233 1.00 0.13 H new ATOM 0 HB2 LEU B 22 -3.877 5.768 0.008 1.00 0.13 H new ATOM 0 HB3 LEU B 22 -4.480 6.368 1.540 1.00 0.13 H new ATOM 0 HG LEU B 22 -6.376 4.594 0.139 1.00 0.15 H new ATOM 0 HD11 LEU B 22 -5.143 2.530 0.667 1.00 0.15 H new ATOM 0 HD12 LEU B 22 -4.292 3.514 -0.548 1.00 0.15 H new ATOM 0 HD13 LEU B 22 -3.728 3.501 1.140 1.00 0.15 H new ATOM 0 HD21 LEU B 22 -6.524 3.607 2.402 1.00 0.21 H new ATOM 0 HD22 LEU B 22 -5.158 4.620 2.927 1.00 0.21 H new ATOM 0 HD23 LEU B 22 -6.694 5.378 2.447 1.00 0.21 H new ATOM 1274 N ARG B 23 -7.488 7.275 1.283 1.00 0.16 N ATOM 1275 CA ARG B 23 -8.895 7.230 1.658 1.00 0.19 C ATOM 1276 C ARG B 23 -9.750 7.994 0.651 1.00 0.20 C ATOM 1277 O ARG B 23 -10.730 7.463 0.122 1.00 0.23 O ATOM 1278 CB ARG B 23 -9.077 7.827 3.055 1.00 0.24 C ATOM 1279 CG ARG B 23 -8.192 7.183 4.105 1.00 0.28 C ATOM 1280 CD ARG B 23 -8.232 7.941 5.422 1.00 0.52 C ATOM 1281 NE ARG B 23 -9.563 7.948 6.040 1.00 0.83 N ATOM 1282 CZ ARG B 23 -9.806 8.437 7.262 1.00 0.85 C ATOM 1283 NH1 ARG B 23 -8.838 9.041 7.936 1.00 0.78 N ATOM 1284 NH2 ARG B 23 -11.021 8.360 7.790 1.00 1.75 N ATOM 0 H ARG B 23 -6.870 7.643 2.007 1.00 0.16 H new ATOM 0 HA ARG B 23 -9.219 6.189 1.663 1.00 0.19 H new ATOM 0 HB2 ARG B 23 -8.864 8.895 3.016 1.00 0.24 H new ATOM 0 HB3 ARG B 23 -10.120 7.721 3.354 1.00 0.24 H new ATOM 0 HG2 ARG B 23 -8.512 6.154 4.268 1.00 0.28 H new ATOM 0 HG3 ARG B 23 -7.166 7.143 3.740 1.00 0.28 H new ATOM 0 HD2 ARG B 23 -7.519 7.494 6.114 1.00 0.52 H new ATOM 0 HD3 ARG B 23 -7.911 8.969 5.253 1.00 0.52 H new ATOM 0 HE ARG B 23 -10.344 7.560 5.511 1.00 0.83 H new ATOM 0 HH11 ARG B 23 -7.910 9.133 7.523 1.00 0.78 H new ATOM 0 HH12 ARG B 23 -9.021 9.414 8.867 1.00 0.78 H new ATOM 0 HH21 ARG B 23 -11.779 7.925 7.264 1.00 1.75 H new ATOM 0 HH22 ARG B 23 -11.197 8.735 8.722 1.00 1.75 H new ATOM 1298 N ARG B 24 -9.359 9.238 0.408 1.00 0.21 N ATOM 1299 CA ARG B 24 -10.016 10.102 -0.566 1.00 0.23 C ATOM 1300 C ARG B 24 -10.033 9.462 -1.945 1.00 0.22 C ATOM 1301 O ARG B 24 -11.085 9.358 -2.577 1.00 0.23 O ATOM 1302 CB ARG B 24 -9.274 11.439 -0.645 1.00 0.24 C ATOM 1303 CG ARG B 24 -9.158 12.150 0.690 1.00 0.28 C ATOM 1304 CD ARG B 24 -8.045 13.187 0.676 1.00 0.32 C ATOM 1305 NE ARG B 24 -8.556 14.553 0.736 1.00 0.48 N ATOM 1306 CZ ARG B 24 -7.796 15.617 1.002 1.00 0.71 C ATOM 1307 NH1 ARG B 24 -6.485 15.477 1.168 1.00 0.82 N ATOM 1308 NH2 ARG B 24 -8.346 16.818 1.097 1.00 1.00 N ATOM 0 H ARG B 24 -8.572 9.680 0.884 1.00 0.21 H new ATOM 0 HA ARG B 24 -11.045 10.258 -0.242 1.00 0.23 H new ATOM 0 HB2 ARG B 24 -8.274 11.267 -1.043 1.00 0.24 H new ATOM 0 HB3 ARG B 24 -9.790 12.090 -1.350 1.00 0.24 H new ATOM 0 HG2 ARG B 24 -10.105 12.635 0.929 1.00 0.28 H new ATOM 0 HG3 ARG B 24 -8.966 11.420 1.476 1.00 0.28 H new ATOM 0 HD2 ARG B 24 -7.380 13.013 1.522 1.00 0.32 H new ATOM 0 HD3 ARG B 24 -7.449 13.064 -0.228 1.00 0.32 H new ATOM 0 HE ARG B 24 -9.550 14.703 0.565 1.00 0.48 H new ATOM 0 HH11 ARG B 24 -6.057 14.554 1.092 1.00 0.82 H new ATOM 0 HH12 ARG B 24 -5.907 16.292 1.371 1.00 0.82 H new ATOM 0 HH21 ARG B 24 -9.351 16.930 0.967 1.00 1.00 H new ATOM 0 HH22 ARG B 24 -7.764 17.631 1.300 1.00 1.00 H new ATOM 1322 N ALA B 25 -8.854 9.055 -2.406 1.00 0.21 N ATOM 1323 CA ALA B 25 -8.690 8.412 -3.701 1.00 0.22 C ATOM 1324 C ALA B 25 -9.645 7.252 -3.907 1.00 0.23 C ATOM 1325 O ALA B 25 -10.381 7.211 -4.894 1.00 0.25 O ATOM 1326 CB ALA B 25 -7.271 7.893 -3.816 1.00 0.22 C ATOM 0 H ALA B 25 -7.982 9.164 -1.887 1.00 0.21 H new ATOM 0 HA ALA B 25 -8.908 9.160 -4.463 1.00 0.22 H new ATOM 0 HB1 ALA B 25 -7.138 7.409 -4.784 1.00 0.22 H new ATOM 0 HB2 ALA B 25 -6.571 8.724 -3.727 1.00 0.22 H new ATOM 0 HB3 ALA B 25 -7.082 7.172 -3.021 1.00 0.22 H new ATOM 1332 N LEU B 26 -9.643 6.326 -2.963 1.00 0.24 N ATOM 1333 CA LEU B 26 -10.414 5.108 -3.106 1.00 0.28 C ATOM 1334 C LEU B 26 -11.856 5.327 -2.664 1.00 0.30 C ATOM 1335 O LEU B 26 -12.722 5.676 -3.472 1.00 0.37 O ATOM 1336 CB LEU B 26 -9.780 3.978 -2.295 1.00 0.27 C ATOM 1337 CG LEU B 26 -8.288 3.730 -2.544 1.00 0.27 C ATOM 1338 CD1 LEU B 26 -7.774 2.609 -1.654 1.00 0.27 C ATOM 1339 CD2 LEU B 26 -8.034 3.396 -3.998 1.00 0.35 C ATOM 0 H LEU B 26 -9.117 6.396 -2.092 1.00 0.24 H new ATOM 0 HA LEU B 26 -10.415 4.827 -4.159 1.00 0.28 H new ATOM 0 HB2 LEU B 26 -9.921 4.194 -1.236 1.00 0.27 H new ATOM 0 HB3 LEU B 26 -10.322 3.056 -2.507 1.00 0.27 H new ATOM 0 HG LEU B 26 -7.750 4.646 -2.299 1.00 0.27 H new ATOM 0 HD11 LEU B 26 -6.713 2.449 -1.846 1.00 0.27 H new ATOM 0 HD12 LEU B 26 -7.916 2.881 -0.608 1.00 0.27 H new ATOM 0 HD13 LEU B 26 -8.324 1.693 -1.869 1.00 0.27 H new ATOM 0 HD21 LEU B 26 -6.969 3.224 -4.151 1.00 0.35 H new ATOM 0 HD22 LEU B 26 -8.589 2.497 -4.267 1.00 0.35 H new ATOM 0 HD23 LEU B 26 -8.361 4.226 -4.624 1.00 0.35 H new ATOM 1351 N ASP B 27 -12.108 5.148 -1.371 1.00 0.32 N ATOM 1352 CA ASP B 27 -13.460 5.251 -0.831 1.00 0.36 C ATOM 1353 C ASP B 27 -13.441 5.098 0.689 1.00 0.42 C ATOM 1354 O ASP B 27 -14.480 4.902 1.317 1.00 0.75 O ATOM 1355 CB ASP B 27 -14.347 4.159 -1.447 1.00 0.45 C ATOM 1356 CG ASP B 27 -15.823 4.490 -1.376 1.00 0.91 C ATOM 1357 OD1 ASP B 27 -16.242 5.486 -2.008 1.00 1.77 O ATOM 1358 OD2 ASP B 27 -16.576 3.738 -0.721 1.00 1.57 O ATOM 0 H ASP B 27 -11.393 4.931 -0.677 1.00 0.32 H new ATOM 0 HA ASP B 27 -13.862 6.233 -1.080 1.00 0.36 H new ATOM 0 HB2 ASP B 27 -14.062 4.011 -2.489 1.00 0.45 H new ATOM 0 HB3 ASP B 27 -14.166 3.216 -0.931 1.00 0.45 H new ATOM 1363 N ILE B 28 -12.255 5.239 1.280 1.00 0.28 N ATOM 1364 CA ILE B 28 -12.038 4.843 2.674 1.00 0.29 C ATOM 1365 C ILE B 28 -12.765 5.772 3.632 1.00 0.32 C ATOM 1366 O ILE B 28 -12.570 6.989 3.608 1.00 0.33 O ATOM 1367 CB ILE B 28 -10.531 4.784 3.067 1.00 0.30 C ATOM 1368 CG1 ILE B 28 -9.803 3.601 2.408 1.00 0.29 C ATOM 1369 CG2 ILE B 28 -10.384 4.669 4.579 1.00 0.38 C ATOM 1370 CD1 ILE B 28 -10.039 3.463 0.933 1.00 0.28 C ATOM 0 H ILE B 28 -11.431 5.623 0.818 1.00 0.28 H new ATOM 0 HA ILE B 28 -12.445 3.835 2.756 1.00 0.29 H new ATOM 0 HB ILE B 28 -10.076 5.708 2.710 1.00 0.30 H new ATOM 0 HG12 ILE B 28 -8.732 3.708 2.582 1.00 0.29 H new ATOM 0 HG13 ILE B 28 -10.116 2.680 2.900 1.00 0.29 H new ATOM 0 HG21 ILE B 28 -9.326 4.629 4.840 1.00 0.38 H new ATOM 0 HG22 ILE B 28 -10.843 5.535 5.056 1.00 0.38 H new ATOM 0 HG23 ILE B 28 -10.878 3.761 4.925 1.00 0.38 H new ATOM 0 HD11 ILE B 28 -9.486 2.603 0.555 1.00 0.28 H new ATOM 0 HD12 ILE B 28 -11.103 3.321 0.747 1.00 0.28 H new ATOM 0 HD13 ILE B 28 -9.699 4.365 0.424 1.00 0.28 H new ATOM 1382 N ALA B 29 -13.586 5.182 4.480 1.00 0.38 N ATOM 1383 CA ALA B 29 -14.351 5.928 5.451 1.00 0.40 C ATOM 1384 C ALA B 29 -13.573 6.074 6.748 1.00 0.39 C ATOM 1385 O ALA B 29 -13.447 7.168 7.295 1.00 0.47 O ATOM 1386 CB ALA B 29 -15.674 5.226 5.691 1.00 0.39 C ATOM 0 H ALA B 29 -13.739 4.174 4.512 1.00 0.38 H new ATOM 0 HA ALA B 29 -14.543 6.930 5.066 1.00 0.40 H new ATOM 0 HB1 ALA B 29 -16.255 5.786 6.424 1.00 0.39 H new ATOM 0 HB2 ALA B 29 -16.230 5.167 4.755 1.00 0.39 H new ATOM 0 HB3 ALA B 29 -15.489 4.220 6.067 1.00 0.39 H new ATOM 1392 N ILE B 30 -13.040 4.957 7.216 1.00 0.35 N ATOM 1393 CA ILE B 30 -12.241 4.925 8.437 1.00 0.36 C ATOM 1394 C ILE B 30 -11.513 3.591 8.526 1.00 0.37 C ATOM 1395 O ILE B 30 -10.384 3.526 8.985 1.00 0.47 O ATOM 1396 CB ILE B 30 -13.103 5.188 9.704 1.00 0.35 C ATOM 1397 CG1 ILE B 30 -12.233 5.291 10.974 1.00 0.39 C ATOM 1398 CG2 ILE B 30 -14.181 4.122 9.862 1.00 0.32 C ATOM 1399 CD1 ILE B 30 -11.979 3.976 11.685 1.00 0.39 C ATOM 0 H ILE B 30 -13.147 4.049 6.765 1.00 0.35 H new ATOM 0 HA ILE B 30 -11.508 5.730 8.394 1.00 0.36 H new ATOM 0 HB ILE B 30 -13.597 6.151 9.570 1.00 0.35 H new ATOM 0 HG12 ILE B 30 -11.273 5.732 10.704 1.00 0.39 H new ATOM 0 HG13 ILE B 30 -12.714 5.977 11.671 1.00 0.39 H new ATOM 0 HG21 ILE B 30 -14.770 4.329 10.756 1.00 0.32 H new ATOM 0 HG22 ILE B 30 -14.833 4.131 8.988 1.00 0.32 H new ATOM 0 HG23 ILE B 30 -13.713 3.142 9.955 1.00 0.32 H new ATOM 0 HD11 ILE B 30 -11.359 4.152 12.564 1.00 0.39 H new ATOM 0 HD12 ILE B 30 -12.929 3.539 11.992 1.00 0.39 H new ATOM 0 HD13 ILE B 30 -11.466 3.291 11.010 1.00 0.39 H new ATOM 1411 N LYS B 31 -12.171 2.528 8.076 1.00 0.30 N ATOM 1412 CA LYS B 31 -11.527 1.230 7.918 1.00 0.37 C ATOM 1413 C LYS B 31 -11.699 0.758 6.481 1.00 0.36 C ATOM 1414 O LYS B 31 -10.744 0.337 5.829 1.00 0.52 O ATOM 1415 CB LYS B 31 -12.117 0.204 8.894 1.00 0.40 C ATOM 1416 CG LYS B 31 -12.082 0.659 10.347 1.00 0.41 C ATOM 1417 CD LYS B 31 -12.380 -0.478 11.308 1.00 0.32 C ATOM 1418 CE LYS B 31 -11.279 -1.522 11.280 1.00 0.33 C ATOM 1419 NZ LYS B 31 -11.491 -2.583 12.297 1.00 0.39 N ATOM 0 H LYS B 31 -13.156 2.541 7.813 1.00 0.30 H new ATOM 0 HA LYS B 31 -10.465 1.330 8.143 1.00 0.37 H new ATOM 0 HB2 LYS B 31 -13.149 -0.003 8.611 1.00 0.40 H new ATOM 0 HB3 LYS B 31 -11.567 -0.732 8.801 1.00 0.40 H new ATOM 0 HG2 LYS B 31 -11.100 1.076 10.572 1.00 0.41 H new ATOM 0 HG3 LYS B 31 -12.809 1.458 10.494 1.00 0.41 H new ATOM 0 HD2 LYS B 31 -12.487 -0.085 12.319 1.00 0.32 H new ATOM 0 HD3 LYS B 31 -13.331 -0.941 11.044 1.00 0.32 H new ATOM 0 HE2 LYS B 31 -11.233 -1.974 10.289 1.00 0.33 H new ATOM 0 HE3 LYS B 31 -10.317 -1.039 11.455 1.00 0.33 H new ATOM 0 HZ1 LYS B 31 -10.717 -3.275 12.243 1.00 0.39 H new ATOM 0 HZ2 LYS B 31 -11.509 -2.156 13.245 1.00 0.39 H new ATOM 0 HZ3 LYS B 31 -12.396 -3.062 12.116 1.00 0.39 H new ATOM 1433 N ASP B 32 -12.933 0.857 6.008 1.00 0.24 N ATOM 1434 CA ASP B 32 -13.294 0.605 4.613 1.00 0.23 C ATOM 1435 C ASP B 32 -12.898 -0.791 4.127 1.00 0.34 C ATOM 1436 O ASP B 32 -13.530 -1.767 4.515 1.00 0.82 O ATOM 1437 CB ASP B 32 -12.699 1.672 3.702 1.00 0.26 C ATOM 1438 CG ASP B 32 -13.678 2.090 2.637 1.00 1.12 C ATOM 1439 OD1 ASP B 32 -14.799 2.509 2.992 1.00 1.83 O ATOM 1440 OD2 ASP B 32 -13.340 1.993 1.448 1.00 1.79 O ATOM 0 H ASP B 32 -13.728 1.119 6.590 1.00 0.24 H new ATOM 0 HA ASP B 32 -14.382 0.653 4.567 1.00 0.23 H new ATOM 0 HB2 ASP B 32 -12.411 2.540 4.295 1.00 0.26 H new ATOM 0 HB3 ASP B 32 -11.791 1.290 3.235 1.00 0.26 H new ATOM 1445 N SER B 33 -11.824 -0.873 3.325 1.00 0.23 N ATOM 1446 CA SER B 33 -11.419 -2.094 2.607 1.00 0.17 C ATOM 1447 C SER B 33 -10.241 -1.775 1.686 1.00 0.17 C ATOM 1448 O SER B 33 -10.419 -1.088 0.685 1.00 0.24 O ATOM 1449 CB SER B 33 -12.544 -2.652 1.723 1.00 0.18 C ATOM 1450 OG SER B 33 -13.599 -3.217 2.476 1.00 0.22 O ATOM 0 H SER B 33 -11.203 -0.082 3.154 1.00 0.23 H new ATOM 0 HA SER B 33 -11.159 -2.833 3.365 1.00 0.17 H new ATOM 0 HB2 SER B 33 -12.938 -1.853 1.096 1.00 0.18 H new ATOM 0 HB3 SER B 33 -12.134 -3.409 1.055 1.00 0.18 H new ATOM 0 HG SER B 33 -13.627 -2.801 3.363 1.00 0.22 H new ATOM 1456 N ILE B 34 -9.048 -2.254 2.012 1.00 0.15 N ATOM 1457 CA ILE B 34 -7.890 -2.000 1.164 1.00 0.16 C ATOM 1458 C ILE B 34 -7.252 -3.308 0.723 1.00 0.14 C ATOM 1459 O ILE B 34 -6.653 -4.017 1.517 1.00 0.14 O ATOM 1460 CB ILE B 34 -6.812 -1.128 1.853 1.00 0.22 C ATOM 1461 CG1 ILE B 34 -7.401 0.175 2.395 1.00 0.25 C ATOM 1462 CG2 ILE B 34 -5.697 -0.814 0.876 1.00 0.32 C ATOM 1463 CD1 ILE B 34 -8.093 0.015 3.727 1.00 0.40 C ATOM 0 H ILE B 34 -8.857 -2.812 2.844 1.00 0.15 H new ATOM 0 HA ILE B 34 -8.266 -1.449 0.302 1.00 0.16 H new ATOM 0 HB ILE B 34 -6.416 -1.696 2.695 1.00 0.22 H new ATOM 0 HG12 ILE B 34 -6.603 0.911 2.495 1.00 0.25 H new ATOM 0 HG13 ILE B 34 -8.112 0.572 1.671 1.00 0.25 H new ATOM 0 HG21 ILE B 34 -4.943 -0.200 1.369 1.00 0.32 H new ATOM 0 HG22 ILE B 34 -5.241 -1.743 0.533 1.00 0.32 H new ATOM 0 HG23 ILE B 34 -6.104 -0.273 0.022 1.00 0.32 H new ATOM 0 HD11 ILE B 34 -8.486 0.979 4.051 1.00 0.40 H new ATOM 0 HD12 ILE B 34 -8.913 -0.697 3.628 1.00 0.40 H new ATOM 0 HD13 ILE B 34 -7.380 -0.353 4.465 1.00 0.40 H new ATOM 1475 N GLU B 35 -7.374 -3.596 -0.550 1.00 0.14 N ATOM 1476 CA GLU B 35 -6.920 -4.855 -1.118 1.00 0.13 C ATOM 1477 C GLU B 35 -5.702 -4.604 -1.998 1.00 0.12 C ATOM 1478 O GLU B 35 -5.719 -3.686 -2.820 1.00 0.15 O ATOM 1479 CB GLU B 35 -8.074 -5.448 -1.930 1.00 0.18 C ATOM 1480 CG GLU B 35 -7.726 -6.655 -2.777 1.00 0.27 C ATOM 1481 CD GLU B 35 -8.745 -6.857 -3.879 1.00 0.49 C ATOM 1482 OE1 GLU B 35 -9.943 -6.594 -3.641 1.00 1.24 O ATOM 1483 OE2 GLU B 35 -8.356 -7.222 -5.002 1.00 1.21 O ATOM 0 H GLU B 35 -7.793 -2.963 -1.231 1.00 0.14 H new ATOM 0 HA GLU B 35 -6.629 -5.556 -0.336 1.00 0.13 H new ATOM 0 HB2 GLU B 35 -8.873 -5.727 -1.243 1.00 0.18 H new ATOM 0 HB3 GLU B 35 -8.472 -4.671 -2.583 1.00 0.18 H new ATOM 0 HG2 GLU B 35 -6.735 -6.525 -3.212 1.00 0.27 H new ATOM 0 HG3 GLU B 35 -7.684 -7.545 -2.149 1.00 0.27 H new ATOM 1490 N PHE B 36 -4.641 -5.394 -1.827 1.00 0.11 N ATOM 1491 CA PHE B 36 -3.401 -5.104 -2.559 1.00 0.11 C ATOM 1492 C PHE B 36 -2.988 -6.206 -3.539 1.00 0.13 C ATOM 1493 O PHE B 36 -3.309 -7.388 -3.379 1.00 0.15 O ATOM 1494 CB PHE B 36 -2.218 -4.781 -1.629 1.00 0.13 C ATOM 1495 CG PHE B 36 -2.538 -4.748 -0.161 1.00 0.17 C ATOM 1496 CD1 PHE B 36 -3.304 -3.727 0.376 1.00 1.14 C ATOM 1497 CD2 PHE B 36 -2.055 -5.733 0.683 1.00 1.22 C ATOM 1498 CE1 PHE B 36 -3.584 -3.694 1.726 1.00 1.13 C ATOM 1499 CE2 PHE B 36 -2.334 -5.703 2.036 1.00 1.29 C ATOM 1500 CZ PHE B 36 -3.101 -4.683 2.556 1.00 0.37 C ATOM 0 H PHE B 36 -4.609 -6.209 -1.214 1.00 0.11 H new ATOM 0 HA PHE B 36 -3.645 -4.215 -3.141 1.00 0.11 H new ATOM 0 HB2 PHE B 36 -1.435 -5.521 -1.796 1.00 0.13 H new ATOM 0 HB3 PHE B 36 -1.808 -3.813 -1.915 1.00 0.13 H new ATOM 0 HD1 PHE B 36 -3.686 -2.949 -0.269 1.00 1.14 H new ATOM 0 HD2 PHE B 36 -1.453 -6.534 0.280 1.00 1.22 H new ATOM 0 HE1 PHE B 36 -4.182 -2.892 2.133 1.00 1.13 H new ATOM 0 HE2 PHE B 36 -1.952 -6.477 2.685 1.00 1.29 H new ATOM 0 HZ PHE B 36 -3.323 -4.658 3.613 1.00 0.37 H new ATOM 1510 N PHE B 37 -2.268 -5.759 -4.562 1.00 0.15 N ATOM 1511 CA PHE B 37 -1.685 -6.600 -5.598 1.00 0.17 C ATOM 1512 C PHE B 37 -0.203 -6.290 -5.660 1.00 0.15 C ATOM 1513 O PHE B 37 0.205 -5.187 -5.329 1.00 0.16 O ATOM 1514 CB PHE B 37 -2.361 -6.287 -6.946 1.00 0.21 C ATOM 1515 CG PHE B 37 -1.866 -7.099 -8.117 1.00 0.24 C ATOM 1516 CD1 PHE B 37 -0.755 -6.695 -8.844 1.00 1.17 C ATOM 1517 CD2 PHE B 37 -2.521 -8.257 -8.499 1.00 1.22 C ATOM 1518 CE1 PHE B 37 -0.309 -7.432 -9.921 1.00 1.21 C ATOM 1519 CE2 PHE B 37 -2.077 -9.000 -9.577 1.00 1.22 C ATOM 1520 CZ PHE B 37 -0.970 -8.586 -10.288 1.00 0.36 C ATOM 0 H PHE B 37 -2.068 -4.768 -4.696 1.00 0.15 H new ATOM 0 HA PHE B 37 -1.834 -7.657 -5.378 1.00 0.17 H new ATOM 0 HB2 PHE B 37 -3.434 -6.446 -6.842 1.00 0.21 H new ATOM 0 HB3 PHE B 37 -2.216 -5.230 -7.170 1.00 0.21 H new ATOM 0 HD1 PHE B 37 -0.233 -5.792 -8.563 1.00 1.17 H new ATOM 0 HD2 PHE B 37 -3.390 -8.584 -7.948 1.00 1.22 H new ATOM 0 HE1 PHE B 37 0.558 -7.106 -10.477 1.00 1.21 H new ATOM 0 HE2 PHE B 37 -2.596 -9.903 -9.862 1.00 1.22 H new ATOM 0 HZ PHE B 37 -0.621 -9.164 -11.131 1.00 0.36 H new ATOM 1530 N VAL B 38 0.606 -7.248 -6.046 1.00 0.18 N ATOM 1531 CA VAL B 38 2.025 -6.988 -6.185 1.00 0.18 C ATOM 1532 C VAL B 38 2.524 -7.347 -7.575 1.00 0.24 C ATOM 1533 O VAL B 38 2.353 -8.469 -8.054 1.00 0.30 O ATOM 1534 CB VAL B 38 2.862 -7.694 -5.096 1.00 0.24 C ATOM 1535 CG1 VAL B 38 2.482 -9.156 -4.945 1.00 0.34 C ATOM 1536 CG2 VAL B 38 4.347 -7.558 -5.386 1.00 0.25 C ATOM 0 H VAL B 38 0.316 -8.201 -6.267 1.00 0.18 H new ATOM 0 HA VAL B 38 2.159 -5.915 -6.046 1.00 0.18 H new ATOM 0 HB VAL B 38 2.642 -7.199 -4.150 1.00 0.24 H new ATOM 0 HG11 VAL B 38 3.096 -9.613 -4.169 1.00 0.34 H new ATOM 0 HG12 VAL B 38 1.430 -9.232 -4.668 1.00 0.34 H new ATOM 0 HG13 VAL B 38 2.647 -9.674 -5.890 1.00 0.34 H new ATOM 0 HG21 VAL B 38 4.918 -8.063 -4.606 1.00 0.25 H new ATOM 0 HG22 VAL B 38 4.572 -8.011 -6.351 1.00 0.25 H new ATOM 0 HG23 VAL B 38 4.618 -6.503 -5.409 1.00 0.25 H new ATOM 1546 N ASP B 39 3.132 -6.367 -8.215 1.00 0.27 N ATOM 1547 CA ASP B 39 3.641 -6.521 -9.562 1.00 0.34 C ATOM 1548 C ASP B 39 5.158 -6.439 -9.539 1.00 0.35 C ATOM 1549 O ASP B 39 5.723 -5.348 -9.575 1.00 0.30 O ATOM 1550 CB ASP B 39 3.064 -5.422 -10.461 1.00 0.35 C ATOM 1551 CG ASP B 39 3.462 -5.577 -11.912 1.00 0.52 C ATOM 1552 OD1 ASP B 39 2.885 -6.440 -12.601 1.00 1.35 O ATOM 1553 OD2 ASP B 39 4.339 -4.827 -12.374 1.00 1.08 O ATOM 0 H ASP B 39 3.287 -5.442 -7.815 1.00 0.27 H new ATOM 0 HA ASP B 39 3.342 -7.491 -9.959 1.00 0.34 H new ATOM 0 HB2 ASP B 39 1.977 -5.431 -10.385 1.00 0.35 H new ATOM 0 HB3 ASP B 39 3.400 -4.450 -10.099 1.00 0.35 H new ATOM 1558 N GLY B 40 5.801 -7.598 -9.444 1.00 0.43 N ATOM 1559 CA GLY B 40 7.255 -7.659 -9.383 1.00 0.48 C ATOM 1560 C GLY B 40 7.838 -6.918 -8.190 1.00 0.42 C ATOM 1561 O GLY B 40 8.032 -7.497 -7.122 1.00 0.47 O ATOM 0 H GLY B 40 5.338 -8.506 -9.408 1.00 0.43 H new ATOM 0 HA2 GLY B 40 7.567 -8.703 -9.341 1.00 0.48 H new ATOM 0 HA3 GLY B 40 7.668 -7.239 -10.300 1.00 0.48 H new ATOM 1565 N ASP B 41 8.104 -5.636 -8.386 1.00 0.34 N ATOM 1566 CA ASP B 41 8.720 -4.784 -7.374 1.00 0.31 C ATOM 1567 C ASP B 41 7.820 -3.575 -7.150 1.00 0.22 C ATOM 1568 O ASP B 41 8.266 -2.475 -6.825 1.00 0.26 O ATOM 1569 CB ASP B 41 10.115 -4.358 -7.855 1.00 0.38 C ATOM 1570 CG ASP B 41 10.903 -3.551 -6.843 1.00 1.04 C ATOM 1571 OD1 ASP B 41 10.813 -3.836 -5.638 1.00 1.74 O ATOM 1572 OD2 ASP B 41 11.652 -2.641 -7.259 1.00 1.81 O ATOM 0 H ASP B 41 7.897 -5.151 -9.259 1.00 0.34 H new ATOM 0 HA ASP B 41 8.835 -5.318 -6.431 1.00 0.31 H new ATOM 0 HB2 ASP B 41 10.685 -5.250 -8.115 1.00 0.38 H new ATOM 0 HB3 ASP B 41 10.009 -3.771 -8.767 1.00 0.38 H new ATOM 1577 N LYS B 42 6.535 -3.792 -7.372 1.00 0.18 N ATOM 1578 CA LYS B 42 5.531 -2.766 -7.169 1.00 0.13 C ATOM 1579 C LYS B 42 4.332 -3.323 -6.407 1.00 0.11 C ATOM 1580 O LYS B 42 4.032 -4.510 -6.496 1.00 0.15 O ATOM 1581 CB LYS B 42 5.083 -2.219 -8.527 1.00 0.12 C ATOM 1582 CG LYS B 42 3.777 -1.449 -8.477 1.00 0.14 C ATOM 1583 CD LYS B 42 3.498 -0.727 -9.782 1.00 0.33 C ATOM 1584 CE LYS B 42 3.391 -1.688 -10.956 1.00 0.75 C ATOM 1585 NZ LYS B 42 3.260 -0.965 -12.251 1.00 0.55 N ATOM 0 H LYS B 42 6.160 -4.683 -7.697 1.00 0.18 H new ATOM 0 HA LYS B 42 5.965 -1.961 -6.576 1.00 0.13 H new ATOM 0 HB2 LYS B 42 5.863 -1.568 -8.921 1.00 0.12 H new ATOM 0 HB3 LYS B 42 4.978 -3.049 -9.226 1.00 0.12 H new ATOM 0 HG2 LYS B 42 2.959 -2.135 -8.259 1.00 0.14 H new ATOM 0 HG3 LYS B 42 3.812 -0.726 -7.662 1.00 0.14 H new ATOM 0 HD2 LYS B 42 2.571 -0.161 -9.692 1.00 0.33 H new ATOM 0 HD3 LYS B 42 4.293 -0.007 -9.975 1.00 0.33 H new ATOM 0 HE2 LYS B 42 4.273 -2.327 -10.984 1.00 0.75 H new ATOM 0 HE3 LYS B 42 2.529 -2.340 -10.815 1.00 0.75 H new ATOM 0 HZ1 LYS B 42 3.190 -1.653 -13.027 1.00 0.55 H new ATOM 0 HZ2 LYS B 42 2.404 -0.374 -12.234 1.00 0.55 H new ATOM 0 HZ3 LYS B 42 4.094 -0.362 -12.398 1.00 0.55 H new ATOM 1599 N ILE B 43 3.653 -2.461 -5.667 1.00 0.09 N ATOM 1600 CA ILE B 43 2.443 -2.830 -4.953 1.00 0.08 C ATOM 1601 C ILE B 43 1.284 -1.982 -5.469 1.00 0.06 C ATOM 1602 O ILE B 43 1.478 -0.836 -5.868 1.00 0.07 O ATOM 1603 CB ILE B 43 2.619 -2.624 -3.431 1.00 0.09 C ATOM 1604 CG1 ILE B 43 3.708 -3.550 -2.880 1.00 0.15 C ATOM 1605 CG2 ILE B 43 1.312 -2.824 -2.681 1.00 0.10 C ATOM 1606 CD1 ILE B 43 3.318 -5.012 -2.856 1.00 0.22 C ATOM 0 H ILE B 43 3.926 -1.486 -5.545 1.00 0.09 H new ATOM 0 HA ILE B 43 2.233 -3.886 -5.126 1.00 0.08 H new ATOM 0 HB ILE B 43 2.931 -1.591 -3.275 1.00 0.09 H new ATOM 0 HG12 ILE B 43 4.608 -3.435 -3.483 1.00 0.15 H new ATOM 0 HG13 ILE B 43 3.960 -3.235 -1.867 1.00 0.15 H new ATOM 0 HG21 ILE B 43 1.477 -2.671 -1.615 1.00 0.10 H new ATOM 0 HG22 ILE B 43 0.573 -2.108 -3.040 1.00 0.10 H new ATOM 0 HG23 ILE B 43 0.947 -3.837 -2.850 1.00 0.10 H new ATOM 0 HD11 ILE B 43 4.141 -5.602 -2.453 1.00 0.22 H new ATOM 0 HD12 ILE B 43 2.437 -5.143 -2.228 1.00 0.22 H new ATOM 0 HD13 ILE B 43 3.095 -5.346 -3.869 1.00 0.22 H new ATOM 1618 N ILE B 44 0.100 -2.563 -5.489 1.00 0.07 N ATOM 1619 CA ILE B 44 -1.092 -1.904 -5.996 1.00 0.08 C ATOM 1620 C ILE B 44 -2.204 -2.004 -4.963 1.00 0.10 C ATOM 1621 O ILE B 44 -2.419 -3.070 -4.404 1.00 0.20 O ATOM 1622 CB ILE B 44 -1.561 -2.558 -7.314 1.00 0.11 C ATOM 1623 CG1 ILE B 44 -0.436 -2.515 -8.353 1.00 0.10 C ATOM 1624 CG2 ILE B 44 -2.814 -1.870 -7.835 1.00 0.16 C ATOM 1625 CD1 ILE B 44 -0.803 -3.138 -9.684 1.00 0.14 C ATOM 0 H ILE B 44 -0.065 -3.512 -5.152 1.00 0.07 H new ATOM 0 HA ILE B 44 -0.854 -0.858 -6.190 1.00 0.08 H new ATOM 0 HB ILE B 44 -1.809 -3.602 -7.121 1.00 0.11 H new ATOM 0 HG12 ILE B 44 -0.146 -1.477 -8.517 1.00 0.10 H new ATOM 0 HG13 ILE B 44 0.436 -3.030 -7.951 1.00 0.10 H new ATOM 0 HG21 ILE B 44 -3.130 -2.344 -8.764 1.00 0.16 H new ATOM 0 HG22 ILE B 44 -3.610 -1.955 -7.095 1.00 0.16 H new ATOM 0 HG23 ILE B 44 -2.601 -0.817 -8.019 1.00 0.16 H new ATOM 0 HD11 ILE B 44 0.045 -3.068 -10.365 1.00 0.14 H new ATOM 0 HD12 ILE B 44 -1.064 -4.186 -9.536 1.00 0.14 H new ATOM 0 HD13 ILE B 44 -1.655 -2.609 -10.111 1.00 0.14 H new ATOM 1637 N LEU B 45 -2.909 -0.912 -4.705 1.00 0.08 N ATOM 1638 CA LEU B 45 -3.968 -0.918 -3.701 1.00 0.09 C ATOM 1639 C LEU B 45 -5.289 -0.482 -4.311 1.00 0.12 C ATOM 1640 O LEU B 45 -5.321 0.379 -5.195 1.00 0.19 O ATOM 1641 CB LEU B 45 -3.628 -0.007 -2.521 1.00 0.13 C ATOM 1642 CG LEU B 45 -2.767 -0.634 -1.424 1.00 0.16 C ATOM 1643 CD1 LEU B 45 -1.367 -0.925 -1.919 1.00 0.13 C ATOM 1644 CD2 LEU B 45 -2.718 0.275 -0.217 1.00 0.26 C ATOM 0 H LEU B 45 -2.770 -0.016 -5.172 1.00 0.08 H new ATOM 0 HA LEU B 45 -4.058 -1.941 -3.335 1.00 0.09 H new ATOM 0 HB2 LEU B 45 -3.112 0.874 -2.903 1.00 0.13 H new ATOM 0 HB3 LEU B 45 -4.560 0.339 -2.073 1.00 0.13 H new ATOM 0 HG LEU B 45 -3.224 -1.582 -1.139 1.00 0.16 H new ATOM 0 HD11 LEU B 45 -0.782 -1.370 -1.114 1.00 0.13 H new ATOM 0 HD12 LEU B 45 -1.415 -1.618 -2.759 1.00 0.13 H new ATOM 0 HD13 LEU B 45 -0.895 0.003 -2.241 1.00 0.13 H new ATOM 0 HD21 LEU B 45 -2.102 -0.182 0.558 1.00 0.26 H new ATOM 0 HD22 LEU B 45 -2.289 1.236 -0.502 1.00 0.26 H new ATOM 0 HD23 LEU B 45 -3.727 0.427 0.165 1.00 0.26 H new ATOM 1656 N LYS B 46 -6.367 -1.084 -3.826 1.00 0.11 N ATOM 1657 CA LYS B 46 -7.708 -0.816 -4.322 1.00 0.19 C ATOM 1658 C LYS B 46 -8.742 -1.205 -3.264 1.00 0.19 C ATOM 1659 O LYS B 46 -8.547 -2.173 -2.535 1.00 0.34 O ATOM 1660 CB LYS B 46 -7.940 -1.635 -5.596 1.00 0.40 C ATOM 1661 CG LYS B 46 -9.385 -1.670 -6.065 1.00 0.92 C ATOM 1662 CD LYS B 46 -9.638 -2.859 -6.976 1.00 0.98 C ATOM 1663 CE LYS B 46 -9.342 -4.178 -6.270 1.00 0.88 C ATOM 1664 NZ LYS B 46 -10.166 -4.361 -5.042 1.00 1.20 N ATOM 0 H LYS B 46 -6.335 -1.774 -3.075 1.00 0.11 H new ATOM 0 HA LYS B 46 -7.811 0.247 -4.542 1.00 0.19 H new ATOM 0 HB2 LYS B 46 -7.321 -1.225 -6.394 1.00 0.40 H new ATOM 0 HB3 LYS B 46 -7.602 -2.657 -5.423 1.00 0.40 H new ATOM 0 HG2 LYS B 46 -10.049 -1.722 -5.202 1.00 0.92 H new ATOM 0 HG3 LYS B 46 -9.621 -0.747 -6.594 1.00 0.92 H new ATOM 0 HD2 LYS B 46 -10.676 -2.849 -7.309 1.00 0.98 H new ATOM 0 HD3 LYS B 46 -9.016 -2.775 -7.867 1.00 0.98 H new ATOM 0 HE2 LYS B 46 -9.528 -5.004 -6.956 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -8.285 -4.216 -6.005 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -10.377 -5.371 -4.913 1.00 1.20 H new ATOM 0 HZ2 LYS B 46 -9.641 -4.009 -4.216 1.00 1.20 H new ATOM 0 HZ3 LYS B 46 -11.056 -3.831 -5.139 1.00 1.20 H new ATOM 1678 N LYS B 47 -9.833 -0.455 -3.181 1.00 0.16 N ATOM 1679 CA LYS B 47 -10.925 -0.795 -2.263 1.00 0.18 C ATOM 1680 C LYS B 47 -11.567 -2.115 -2.705 1.00 0.21 C ATOM 1681 O LYS B 47 -11.680 -2.387 -3.899 1.00 0.28 O ATOM 1682 CB LYS B 47 -11.962 0.341 -2.226 1.00 0.25 C ATOM 1683 CG LYS B 47 -12.833 0.386 -0.964 1.00 0.27 C ATOM 1684 CD LYS B 47 -14.048 -0.525 -1.068 1.00 0.32 C ATOM 1685 CE LYS B 47 -14.978 -0.383 0.130 1.00 0.42 C ATOM 1686 NZ LYS B 47 -15.472 1.010 0.303 1.00 0.76 N ATOM 0 H LYS B 47 -9.990 0.389 -3.732 1.00 0.16 H new ATOM 0 HA LYS B 47 -10.531 -0.919 -1.254 1.00 0.18 H new ATOM 0 HB2 LYS B 47 -11.439 1.293 -2.322 1.00 0.25 H new ATOM 0 HB3 LYS B 47 -12.613 0.246 -3.095 1.00 0.25 H new ATOM 0 HG2 LYS B 47 -12.235 0.093 -0.102 1.00 0.27 H new ATOM 0 HG3 LYS B 47 -13.163 1.410 -0.789 1.00 0.27 H new ATOM 0 HD2 LYS B 47 -14.597 -0.293 -1.981 1.00 0.32 H new ATOM 0 HD3 LYS B 47 -13.718 -1.561 -1.149 1.00 0.32 H new ATOM 0 HE2 LYS B 47 -15.828 -1.054 0.008 1.00 0.42 H new ATOM 0 HE3 LYS B 47 -14.453 -0.694 1.033 1.00 0.42 H new ATOM 0 HZ1 LYS B 47 -16.087 1.059 1.140 1.00 0.76 H new ATOM 0 HZ2 LYS B 47 -14.664 1.652 0.429 1.00 0.76 H new ATOM 0 HZ3 LYS B 47 -16.011 1.294 -0.540 1.00 0.76 H new ATOM 1700 N TYR B 48 -11.977 -2.930 -1.740 1.00 0.20 N ATOM 1701 CA TYR B 48 -12.449 -4.292 -2.011 1.00 0.25 C ATOM 1702 C TYR B 48 -13.731 -4.303 -2.849 1.00 0.35 C ATOM 1703 O TYR B 48 -13.763 -4.868 -3.943 1.00 0.38 O ATOM 1704 CB TYR B 48 -12.682 -5.020 -0.684 1.00 0.33 C ATOM 1705 CG TYR B 48 -12.991 -6.497 -0.813 1.00 0.41 C ATOM 1706 CD1 TYR B 48 -12.030 -7.394 -1.265 1.00 1.05 C ATOM 1707 CD2 TYR B 48 -14.244 -6.996 -0.474 1.00 1.30 C ATOM 1708 CE1 TYR B 48 -12.309 -8.744 -1.371 1.00 1.08 C ATOM 1709 CE2 TYR B 48 -14.528 -8.344 -0.574 1.00 1.37 C ATOM 1710 CZ TYR B 48 -13.558 -9.213 -1.026 1.00 0.63 C ATOM 1711 OH TYR B 48 -13.837 -10.559 -1.128 1.00 0.76 O ATOM 0 H TYR B 48 -11.994 -2.673 -0.753 1.00 0.20 H new ATOM 0 HA TYR B 48 -11.682 -4.805 -2.591 1.00 0.25 H new ATOM 0 HB2 TYR B 48 -11.795 -4.902 -0.061 1.00 0.33 H new ATOM 0 HB3 TYR B 48 -13.506 -4.536 -0.160 1.00 0.33 H new ATOM 0 HD1 TYR B 48 -11.050 -7.031 -1.538 1.00 1.05 H new ATOM 0 HD2 TYR B 48 -15.009 -6.317 -0.126 1.00 1.30 H new ATOM 0 HE1 TYR B 48 -11.551 -9.428 -1.723 1.00 1.08 H new ATOM 0 HE2 TYR B 48 -15.504 -8.715 -0.300 1.00 1.37 H new ATOM 0 HH TYR B 48 -14.761 -10.724 -0.845 1.00 0.76 H new ATOM 1721 N LYS B 49 -14.769 -3.655 -2.326 1.00 0.47 N ATOM 1722 CA LYS B 49 -16.109 -3.669 -2.927 1.00 0.65 C ATOM 1723 C LYS B 49 -16.119 -3.377 -4.442 1.00 0.73 C ATOM 1724 O LYS B 49 -16.720 -4.144 -5.195 1.00 0.85 O ATOM 1725 CB LYS B 49 -17.029 -2.687 -2.194 1.00 0.75 C ATOM 1726 CG LYS B 49 -18.440 -2.643 -2.760 1.00 1.04 C ATOM 1727 CD LYS B 49 -19.368 -1.782 -1.918 1.00 1.62 C ATOM 1728 CE LYS B 49 -20.741 -1.651 -2.565 1.00 2.34 C ATOM 1729 NZ LYS B 49 -21.401 -2.970 -2.764 1.00 3.00 N ATOM 0 H LYS B 49 -14.709 -3.102 -1.471 1.00 0.47 H new ATOM 0 HA LYS B 49 -16.480 -4.688 -2.813 1.00 0.65 H new ATOM 0 HB2 LYS B 49 -17.077 -2.963 -1.141 1.00 0.75 H new ATOM 0 HB3 LYS B 49 -16.595 -1.688 -2.243 1.00 0.75 H new ATOM 0 HG2 LYS B 49 -18.410 -2.254 -3.778 1.00 1.04 H new ATOM 0 HG3 LYS B 49 -18.839 -3.656 -2.817 1.00 1.04 H new ATOM 0 HD2 LYS B 49 -19.472 -2.219 -0.925 1.00 1.62 H new ATOM 0 HD3 LYS B 49 -18.930 -0.793 -1.786 1.00 1.62 H new ATOM 0 HE2 LYS B 49 -21.375 -1.021 -1.942 1.00 2.34 H new ATOM 0 HE3 LYS B 49 -20.640 -1.149 -3.527 1.00 2.34 H new ATOM 0 HZ1 LYS B 49 -22.386 -2.824 -3.063 1.00 3.00 H new ATOM 0 HZ2 LYS B 49 -20.893 -3.505 -3.496 1.00 3.00 H new ATOM 0 HZ3 LYS B 49 -21.386 -3.504 -1.872 1.00 3.00 H new ATOM 1743 N PRO B 50 -15.477 -2.281 -4.926 1.00 0.72 N ATOM 1744 CA PRO B 50 -15.459 -1.939 -6.367 1.00 0.88 C ATOM 1745 C PRO B 50 -14.773 -2.983 -7.263 1.00 0.96 C ATOM 1746 O PRO B 50 -14.514 -2.718 -8.437 1.00 1.49 O ATOM 1747 CB PRO B 50 -14.683 -0.616 -6.412 1.00 0.94 C ATOM 1748 CG PRO B 50 -14.805 -0.060 -5.038 1.00 0.92 C ATOM 1749 CD PRO B 50 -14.773 -1.254 -4.135 1.00 0.62 C ATOM 0 HA PRO B 50 -16.475 -1.887 -6.757 1.00 0.88 H new ATOM 0 HB2 PRO B 50 -13.640 -0.778 -6.682 1.00 0.94 H new ATOM 0 HB3 PRO B 50 -15.103 0.064 -7.153 1.00 0.94 H new ATOM 0 HG2 PRO B 50 -13.988 0.626 -4.815 1.00 0.92 H new ATOM 0 HG3 PRO B 50 -15.732 0.500 -4.919 1.00 0.92 H new ATOM 0 HD2 PRO B 50 -13.752 -1.555 -3.898 1.00 0.62 H new ATOM 0 HD3 PRO B 50 -15.275 -1.058 -3.188 1.00 0.62 H new ATOM 1757 N HIS B 51 -14.462 -4.152 -6.718 1.00 1.41 N ATOM 1758 CA HIS B 51 -13.958 -5.256 -7.529 1.00 1.55 C ATOM 1759 C HIS B 51 -14.633 -6.562 -7.123 1.00 1.83 C ATOM 1760 O HIS B 51 -14.400 -7.608 -7.723 1.00 2.39 O ATOM 1761 CB HIS B 51 -12.437 -5.382 -7.401 1.00 2.03 C ATOM 1762 CG HIS B 51 -11.816 -6.271 -8.441 1.00 2.93 C ATOM 1763 ND1 HIS B 51 -11.321 -7.526 -8.167 1.00 3.73 N ATOM 1764 CD2 HIS B 51 -11.595 -6.066 -9.761 1.00 3.63 C ATOM 1765 CE1 HIS B 51 -10.825 -8.053 -9.267 1.00 4.57 C ATOM 1766 NE2 HIS B 51 -10.979 -7.190 -10.251 1.00 4.53 N ATOM 0 H HIS B 51 -14.549 -4.361 -5.723 1.00 1.41 H new ATOM 0 HA HIS B 51 -14.194 -5.046 -8.572 1.00 1.55 H new ATOM 0 HB2 HIS B 51 -11.992 -4.390 -7.471 1.00 2.03 H new ATOM 0 HB3 HIS B 51 -12.195 -5.771 -6.412 1.00 2.03 H new ATOM 0 HD1 HIS B 51 -11.336 -7.978 -7.253 1.00 3.73 H new ATOM 0 HD2 HIS B 51 -11.855 -5.182 -10.324 1.00 3.63 H new ATOM 0 HE1 HIS B 51 -10.369 -9.028 -9.349 1.00 4.57 H new ATOM 1775 N GLY B 52 -15.477 -6.489 -6.102 1.00 2.12 N ATOM 1776 CA GLY B 52 -16.164 -7.668 -5.622 1.00 2.80 C ATOM 1777 C GLY B 52 -15.285 -8.531 -4.750 1.00 2.86 C ATOM 1778 O GLY B 52 -15.436 -8.562 -3.529 1.00 3.07 O ATOM 0 H GLY B 52 -15.697 -5.630 -5.597 1.00 2.12 H new ATOM 0 HA2 GLY B 52 -17.047 -7.366 -5.058 1.00 2.80 H new ATOM 0 HA3 GLY B 52 -16.514 -8.253 -6.473 1.00 2.80 H new ATOM 1782 N VAL B 53 -14.374 -9.231 -5.389 1.00 3.08 N ATOM 1783 CA VAL B 53 -13.445 -10.120 -4.710 1.00 3.27 C ATOM 1784 C VAL B 53 -12.047 -9.902 -5.260 1.00 2.62 C ATOM 1785 O VAL B 53 -11.883 -9.248 -6.287 1.00 2.40 O ATOM 1786 CB VAL B 53 -13.869 -11.602 -4.875 1.00 4.11 C ATOM 1787 CG1 VAL B 53 -13.780 -12.038 -6.331 1.00 4.23 C ATOM 1788 CG2 VAL B 53 -13.042 -12.518 -3.980 1.00 4.58 C ATOM 0 H VAL B 53 -14.253 -9.202 -6.401 1.00 3.08 H new ATOM 0 HA VAL B 53 -13.455 -9.891 -3.644 1.00 3.27 H new ATOM 0 HB VAL B 53 -14.910 -11.684 -4.562 1.00 4.11 H new ATOM 0 HG11 VAL B 53 -14.083 -13.081 -6.418 1.00 4.23 H new ATOM 0 HG12 VAL B 53 -14.439 -11.417 -6.938 1.00 4.23 H new ATOM 0 HG13 VAL B 53 -12.754 -11.928 -6.682 1.00 4.23 H new ATOM 0 HG21 VAL B 53 -13.364 -13.550 -4.119 1.00 4.58 H new ATOM 0 HG22 VAL B 53 -11.988 -12.428 -4.242 1.00 4.58 H new ATOM 0 HG23 VAL B 53 -13.182 -12.232 -2.938 1.00 4.58 H new ATOM 1798 N CYS B 54 -11.058 -10.412 -4.552 1.00 2.56 N ATOM 1799 CA CYS B 54 -9.671 -10.322 -4.981 1.00 1.99 C ATOM 1800 C CYS B 54 -9.506 -10.828 -6.413 1.00 2.09 C ATOM 1801 O CYS B 54 -9.783 -12.023 -6.656 1.00 2.54 O ATOM 1802 CB CYS B 54 -8.772 -11.108 -4.023 1.00 2.24 C ATOM 1803 SG CYS B 54 -9.356 -12.779 -3.649 1.00 3.21 S ATOM 1804 OXT CYS B 54 -9.098 -10.034 -7.287 1.00 2.48 O ATOM 0 H CYS B 54 -11.190 -10.899 -3.666 1.00 2.56 H new ATOM 0 HA CYS B 54 -9.372 -9.274 -4.962 1.00 1.99 H new ATOM 0 HB2 CYS B 54 -7.773 -11.174 -4.454 1.00 2.24 H new ATOM 0 HB3 CYS B 54 -8.681 -10.551 -3.090 1.00 2.24 H new ATOM 0 HG CYS B 54 -9.859 -13.313 -4.722 1.00 3.21 H new TER 1810 CYS B 54