USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=24 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+ 149:sc= 1.36 (180deg=0.809) USER MOD Single : A 2 LYS NZ :NH3+ 178:sc= 1.67 (180deg=1.46) USER MOD Single : A 3 SER OG : rot 130:sc= -0.0833 USER MOD Single : A 9 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0903) USER MOD Single : A 18 MET CE :methyl -159:sc= -2.63! (180deg=-3.76!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -27:sc= 0.513 USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= 0.126 (180deg=0.066) USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= 1.27 (180deg=0.788) USER MOD Single : A 47 LYS NZ :NH3+ 162:sc= 1.28 (180deg=1.15) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= -0.074 (180deg=-0.442) USER MOD Single : A 51 HIS : no HD1:sc= -0.0524 X(o=-0.052,f=-0.03) USER MOD Single : A 54 CYS SG : rot 180:sc= -0.0882 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 145:sc= 1.46 (180deg=0.722) USER MOD Single : B 2 LYS NZ :NH3+ -160:sc= 1.11 (180deg=0.791) USER MOD Single : B 3 SER OG : rot 173:sc= 0.807 USER MOD Single : B 9 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0339) USER MOD Single : B 18 MET CE :methyl -155:sc= -2.69! (180deg=-4!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot -17:sc= 0.66 USER MOD Single : B 42 LYS NZ :NH3+ 167:sc= 0.314 (180deg=0.169) USER MOD Single : B 46 LYS NZ :NH3+ -170:sc= 0.792 (180deg=0.535) USER MOD Single : B 47 LYS NZ :NH3+ -126:sc= 2.01 (180deg=1.05) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ -172:sc=-0.00438 (180deg=-0.0933) USER MOD Single : B 51 HIS : no HD1:sc= -0.0353 X(o=-0.035,f=-0.01) USER MOD Single : B 54 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.746 4.718 -15.075 1.00 2.39 N ATOM 2 CA MET A 1 -7.988 5.392 -13.781 1.00 1.49 C ATOM 3 C MET A 1 -6.682 5.560 -13.026 1.00 1.24 C ATOM 4 O MET A 1 -5.740 4.800 -13.239 1.00 1.91 O ATOM 5 CB MET A 1 -8.978 4.592 -12.922 1.00 2.01 C ATOM 6 CG MET A 1 -10.398 4.555 -13.469 1.00 2.70 C ATOM 7 SD MET A 1 -10.541 3.633 -15.014 1.00 3.90 S ATOM 8 CE MET A 1 -12.289 3.832 -15.364 1.00 4.80 C ATOM 0 H1 MET A 1 -8.580 4.153 -15.333 1.00 2.39 H new ATOM 0 H2 MET A 1 -7.570 5.432 -15.811 1.00 2.39 H new ATOM 0 H3 MET A 1 -6.917 4.095 -14.992 1.00 2.39 H new ATOM 0 HA MET A 1 -8.417 6.372 -13.987 1.00 1.49 H new ATOM 0 HB2 MET A 1 -8.612 3.570 -12.825 1.00 2.01 H new ATOM 0 HB3 MET A 1 -8.999 5.020 -11.920 1.00 2.01 H new ATOM 0 HG2 MET A 1 -11.056 4.107 -12.724 1.00 2.70 H new ATOM 0 HG3 MET A 1 -10.746 5.576 -13.629 1.00 2.70 H new ATOM 0 HE1 MET A 1 -12.535 3.316 -16.292 1.00 4.80 H new ATOM 0 HE2 MET A 1 -12.874 3.409 -14.547 1.00 4.80 H new ATOM 0 HE3 MET A 1 -12.521 4.892 -15.465 1.00 4.80 H new ATOM 20 N LYS A 2 -6.631 6.580 -12.172 1.00 0.91 N ATOM 21 CA LYS A 2 -5.502 6.816 -11.270 1.00 0.58 C ATOM 22 C LYS A 2 -4.162 6.908 -11.996 1.00 0.56 C ATOM 23 O LYS A 2 -4.093 7.011 -13.221 1.00 0.81 O ATOM 24 CB LYS A 2 -5.440 5.724 -10.189 1.00 0.74 C ATOM 25 CG LYS A 2 -6.622 5.736 -9.225 1.00 0.82 C ATOM 26 CD LYS A 2 -6.487 6.790 -8.126 1.00 0.85 C ATOM 27 CE LYS A 2 -6.272 8.183 -8.690 1.00 1.75 C ATOM 28 NZ LYS A 2 -6.583 9.252 -7.710 1.00 2.48 N ATOM 0 H LYS A 2 -7.376 7.271 -12.085 1.00 0.91 H new ATOM 0 HA LYS A 2 -5.678 7.786 -10.805 1.00 0.58 H new ATOM 0 HB2 LYS A 2 -5.390 4.749 -10.674 1.00 0.74 H new ATOM 0 HB3 LYS A 2 -4.519 5.844 -9.619 1.00 0.74 H new ATOM 0 HG2 LYS A 2 -7.539 5.919 -9.785 1.00 0.82 H new ATOM 0 HG3 LYS A 2 -6.720 4.752 -8.767 1.00 0.82 H new ATOM 0 HD2 LYS A 2 -7.385 6.785 -7.508 1.00 0.85 H new ATOM 0 HD3 LYS A 2 -5.651 6.530 -7.476 1.00 0.85 H new ATOM 0 HE2 LYS A 2 -5.236 8.283 -9.014 1.00 1.75 H new ATOM 0 HE3 LYS A 2 -6.897 8.313 -9.574 1.00 1.75 H new ATOM 0 HZ1 LYS A 2 -6.387 10.181 -8.135 1.00 2.48 H new ATOM 0 HZ2 LYS A 2 -7.587 9.198 -7.444 1.00 2.48 H new ATOM 0 HZ3 LYS A 2 -5.993 9.128 -6.862 1.00 2.48 H new ATOM 42 N SER A 3 -3.100 6.922 -11.210 1.00 0.41 N ATOM 43 CA SER A 3 -1.753 6.914 -11.742 1.00 0.39 C ATOM 44 C SER A 3 -1.375 5.492 -12.135 1.00 0.37 C ATOM 45 O SER A 3 -0.685 5.263 -13.127 1.00 0.48 O ATOM 46 CB SER A 3 -0.786 7.467 -10.695 1.00 0.37 C ATOM 47 OG SER A 3 0.517 7.624 -11.218 1.00 1.00 O ATOM 0 H SER A 3 -3.148 6.939 -10.191 1.00 0.41 H new ATOM 0 HA SER A 3 -1.698 7.546 -12.628 1.00 0.39 H new ATOM 0 HB2 SER A 3 -1.151 8.428 -10.334 1.00 0.37 H new ATOM 0 HB3 SER A 3 -0.755 6.795 -9.837 1.00 0.37 H new ATOM 0 HG SER A 3 0.844 8.525 -11.016 1.00 1.00 H new ATOM 53 N ILE A 4 -1.853 4.533 -11.352 1.00 0.29 N ATOM 54 CA ILE A 4 -1.612 3.129 -11.637 1.00 0.27 C ATOM 55 C ILE A 4 -2.869 2.511 -12.228 1.00 0.29 C ATOM 56 O ILE A 4 -2.827 1.852 -13.266 1.00 0.34 O ATOM 57 CB ILE A 4 -1.202 2.354 -10.368 1.00 0.25 C ATOM 58 CG1 ILE A 4 -0.277 3.211 -9.499 1.00 0.31 C ATOM 59 CG2 ILE A 4 -0.512 1.052 -10.758 1.00 0.26 C ATOM 60 CD1 ILE A 4 0.178 2.527 -8.227 1.00 0.26 C ATOM 0 H ILE A 4 -2.410 4.705 -10.515 1.00 0.29 H new ATOM 0 HA ILE A 4 -0.790 3.064 -12.350 1.00 0.27 H new ATOM 0 HB ILE A 4 -2.096 2.119 -9.790 1.00 0.25 H new ATOM 0 HG12 ILE A 4 0.600 3.489 -10.084 1.00 0.31 H new ATOM 0 HG13 ILE A 4 -0.793 4.135 -9.238 1.00 0.31 H new ATOM 0 HG21 ILE A 4 -0.225 0.509 -9.858 1.00 0.26 H new ATOM 0 HG22 ILE A 4 -1.195 0.441 -11.348 1.00 0.26 H new ATOM 0 HG23 ILE A 4 0.378 1.274 -11.347 1.00 0.26 H new ATOM 0 HD11 ILE A 4 0.829 3.197 -7.666 1.00 0.26 H new ATOM 0 HD12 ILE A 4 -0.691 2.273 -7.620 1.00 0.26 H new ATOM 0 HD13 ILE A 4 0.723 1.617 -8.478 1.00 0.26 H new ATOM 72 N GLY A 5 -3.991 2.746 -11.559 1.00 0.31 N ATOM 73 CA GLY A 5 -5.269 2.289 -12.064 1.00 0.35 C ATOM 74 C GLY A 5 -5.605 0.896 -11.608 1.00 0.33 C ATOM 75 O GLY A 5 -6.369 0.183 -12.264 1.00 0.51 O ATOM 0 H GLY A 5 -4.037 3.247 -10.672 1.00 0.31 H new ATOM 0 HA2 GLY A 5 -6.051 2.974 -11.736 1.00 0.35 H new ATOM 0 HA3 GLY A 5 -5.257 2.318 -13.154 1.00 0.35 H new ATOM 79 N VAL A 6 -5.039 0.508 -10.485 1.00 0.18 N ATOM 80 CA VAL A 6 -5.275 -0.813 -9.950 1.00 0.15 C ATOM 81 C VAL A 6 -5.768 -0.739 -8.519 1.00 0.14 C ATOM 82 O VAL A 6 -5.232 -0.007 -7.678 1.00 0.17 O ATOM 83 CB VAL A 6 -4.022 -1.713 -10.020 1.00 0.16 C ATOM 84 CG1 VAL A 6 -3.682 -2.048 -11.462 1.00 0.23 C ATOM 85 CG2 VAL A 6 -2.838 -1.052 -9.337 1.00 0.17 C ATOM 0 H VAL A 6 -4.413 1.089 -9.927 1.00 0.18 H new ATOM 0 HA VAL A 6 -6.045 -1.264 -10.577 1.00 0.15 H new ATOM 0 HB VAL A 6 -4.246 -2.640 -9.492 1.00 0.16 H new ATOM 0 HG11 VAL A 6 -2.796 -2.683 -11.489 1.00 0.23 H new ATOM 0 HG12 VAL A 6 -4.519 -2.574 -11.921 1.00 0.23 H new ATOM 0 HG13 VAL A 6 -3.486 -1.128 -12.013 1.00 0.23 H new ATOM 0 HG21 VAL A 6 -1.969 -1.707 -9.401 1.00 0.17 H new ATOM 0 HG22 VAL A 6 -2.616 -0.105 -9.829 1.00 0.17 H new ATOM 0 HG23 VAL A 6 -3.078 -0.869 -8.290 1.00 0.17 H new ATOM 95 N VAL A 7 -6.811 -1.507 -8.279 1.00 0.14 N ATOM 96 CA VAL A 7 -7.383 -1.656 -6.966 1.00 0.13 C ATOM 97 C VAL A 7 -7.154 -3.086 -6.492 1.00 0.14 C ATOM 98 O VAL A 7 -7.209 -4.030 -7.283 1.00 0.17 O ATOM 99 CB VAL A 7 -8.891 -1.307 -6.964 1.00 0.13 C ATOM 100 CG1 VAL A 7 -9.666 -2.210 -7.914 1.00 0.16 C ATOM 101 CG2 VAL A 7 -9.458 -1.387 -5.556 1.00 0.13 C ATOM 0 H VAL A 7 -7.287 -2.049 -9.001 1.00 0.14 H new ATOM 0 HA VAL A 7 -6.896 -0.961 -6.282 1.00 0.13 H new ATOM 0 HB VAL A 7 -9.000 -0.282 -7.318 1.00 0.13 H new ATOM 0 HG11 VAL A 7 -10.722 -1.941 -7.891 1.00 0.16 H new ATOM 0 HG12 VAL A 7 -9.282 -2.087 -8.927 1.00 0.16 H new ATOM 0 HG13 VAL A 7 -9.549 -3.249 -7.605 1.00 0.16 H new ATOM 0 HG21 VAL A 7 -10.519 -1.138 -5.576 1.00 0.13 H new ATOM 0 HG22 VAL A 7 -9.330 -2.398 -5.169 1.00 0.13 H new ATOM 0 HG23 VAL A 7 -8.932 -0.682 -4.912 1.00 0.13 H new ATOM 111 N ARG A 8 -6.853 -3.246 -5.222 1.00 0.14 N ATOM 112 CA ARG A 8 -6.544 -4.553 -4.683 1.00 0.15 C ATOM 113 C ARG A 8 -7.619 -4.997 -3.735 1.00 0.14 C ATOM 114 O ARG A 8 -8.358 -4.180 -3.191 1.00 0.17 O ATOM 115 CB ARG A 8 -5.190 -4.564 -3.974 1.00 0.18 C ATOM 116 CG ARG A 8 -4.086 -5.185 -4.813 1.00 0.28 C ATOM 117 CD ARG A 8 -4.129 -4.643 -6.231 1.00 0.34 C ATOM 118 NE ARG A 8 -3.168 -5.279 -7.122 1.00 0.67 N ATOM 119 CZ ARG A 8 -3.440 -5.582 -8.391 1.00 0.56 C ATOM 120 NH1 ARG A 8 -4.635 -5.285 -8.898 1.00 0.87 N ATOM 121 NH2 ARG A 8 -2.527 -6.174 -9.153 1.00 1.21 N ATOM 0 H ARG A 8 -6.816 -2.487 -4.542 1.00 0.14 H new ATOM 0 HA ARG A 8 -6.493 -5.248 -5.521 1.00 0.15 H new ATOM 0 HB2 ARG A 8 -4.912 -3.542 -3.717 1.00 0.18 H new ATOM 0 HB3 ARG A 8 -5.281 -5.115 -3.038 1.00 0.18 H new ATOM 0 HG2 ARG A 8 -3.116 -4.971 -4.365 1.00 0.28 H new ATOM 0 HG3 ARG A 8 -4.198 -6.269 -4.828 1.00 0.28 H new ATOM 0 HD2 ARG A 8 -5.133 -4.779 -6.634 1.00 0.34 H new ATOM 0 HD3 ARG A 8 -3.938 -3.570 -6.208 1.00 0.34 H new ATOM 0 HE ARG A 8 -2.242 -5.503 -6.757 1.00 0.67 H new ATOM 0 HH11 ARG A 8 -5.337 -4.828 -8.316 1.00 0.87 H new ATOM 0 HH12 ARG A 8 -4.849 -5.515 -9.869 1.00 0.87 H new ATOM 0 HH21 ARG A 8 -1.610 -6.400 -8.768 1.00 1.21 H new ATOM 0 HH22 ARG A 8 -2.743 -6.403 -10.123 1.00 1.21 H new ATOM 135 N LYS A 9 -7.712 -6.292 -3.560 1.00 0.14 N ATOM 136 CA LYS A 9 -8.692 -6.865 -2.677 1.00 0.15 C ATOM 137 C LYS A 9 -7.966 -7.670 -1.617 1.00 0.17 C ATOM 138 O LYS A 9 -7.241 -8.616 -1.937 1.00 0.22 O ATOM 139 CB LYS A 9 -9.667 -7.735 -3.476 1.00 0.22 C ATOM 140 CG LYS A 9 -10.132 -7.085 -4.778 1.00 0.51 C ATOM 141 CD LYS A 9 -10.885 -5.780 -4.534 1.00 0.36 C ATOM 142 CE LYS A 9 -11.200 -5.051 -5.832 1.00 0.98 C ATOM 143 NZ LYS A 9 -11.992 -5.890 -6.767 1.00 1.13 N ATOM 0 H LYS A 9 -7.112 -6.974 -4.024 1.00 0.14 H new ATOM 0 HA LYS A 9 -9.276 -6.084 -2.190 1.00 0.15 H new ATOM 0 HB2 LYS A 9 -9.189 -8.688 -3.704 1.00 0.22 H new ATOM 0 HB3 LYS A 9 -10.537 -7.955 -2.857 1.00 0.22 H new ATOM 0 HG2 LYS A 9 -9.268 -6.891 -5.414 1.00 0.51 H new ATOM 0 HG3 LYS A 9 -10.776 -7.779 -5.319 1.00 0.51 H new ATOM 0 HD2 LYS A 9 -11.813 -5.991 -4.003 1.00 0.36 H new ATOM 0 HD3 LYS A 9 -10.289 -5.133 -3.890 1.00 0.36 H new ATOM 0 HE2 LYS A 9 -11.752 -4.138 -5.609 1.00 0.98 H new ATOM 0 HE3 LYS A 9 -10.269 -4.752 -6.314 1.00 0.98 H new ATOM 0 HZ1 LYS A 9 -12.313 -5.309 -7.568 1.00 1.13 H new ATOM 0 HZ2 LYS A 9 -11.401 -6.669 -7.120 1.00 1.13 H new ATOM 0 HZ3 LYS A 9 -12.818 -6.280 -6.269 1.00 1.13 H new ATOM 157 N VAL A 10 -8.134 -7.255 -0.369 1.00 0.16 N ATOM 158 CA VAL A 10 -7.426 -7.835 0.761 1.00 0.18 C ATOM 159 C VAL A 10 -7.610 -9.350 0.831 1.00 0.20 C ATOM 160 O VAL A 10 -8.655 -9.883 0.468 1.00 0.24 O ATOM 161 CB VAL A 10 -7.882 -7.170 2.085 1.00 0.18 C ATOM 162 CG1 VAL A 10 -7.497 -7.990 3.302 1.00 0.20 C ATOM 163 CG2 VAL A 10 -7.293 -5.777 2.196 1.00 0.18 C ATOM 0 H VAL A 10 -8.770 -6.501 -0.112 1.00 0.16 H new ATOM 0 HA VAL A 10 -6.363 -7.642 0.616 1.00 0.18 H new ATOM 0 HB VAL A 10 -8.970 -7.111 2.060 1.00 0.18 H new ATOM 0 HG11 VAL A 10 -7.838 -7.483 4.205 1.00 0.20 H new ATOM 0 HG12 VAL A 10 -7.963 -8.974 3.240 1.00 0.20 H new ATOM 0 HG13 VAL A 10 -6.413 -8.103 3.337 1.00 0.20 H new ATOM 0 HG21 VAL A 10 -7.619 -5.318 3.129 1.00 0.18 H new ATOM 0 HG22 VAL A 10 -6.205 -5.840 2.183 1.00 0.18 H new ATOM 0 HG23 VAL A 10 -7.631 -5.171 1.356 1.00 0.18 H new ATOM 173 N ASP A 11 -6.552 -10.022 1.258 1.00 0.17 N ATOM 174 CA ASP A 11 -6.563 -11.457 1.491 1.00 0.21 C ATOM 175 C ASP A 11 -7.593 -11.806 2.567 1.00 0.22 C ATOM 176 O ASP A 11 -8.711 -12.212 2.256 1.00 0.24 O ATOM 177 CB ASP A 11 -5.140 -11.892 1.892 1.00 0.24 C ATOM 178 CG ASP A 11 -5.060 -13.234 2.593 1.00 0.58 C ATOM 179 OD1 ASP A 11 -5.070 -14.276 1.909 1.00 1.31 O ATOM 180 OD2 ASP A 11 -4.928 -13.240 3.836 1.00 1.30 O ATOM 0 H ASP A 11 -5.653 -9.582 1.454 1.00 0.17 H new ATOM 0 HA ASP A 11 -6.853 -11.993 0.587 1.00 0.21 H new ATOM 0 HB2 ASP A 11 -4.520 -11.928 0.996 1.00 0.24 H new ATOM 0 HB3 ASP A 11 -4.713 -11.131 2.545 1.00 0.24 H new ATOM 185 N GLU A 12 -7.194 -11.630 3.820 1.00 0.23 N ATOM 186 CA GLU A 12 -8.075 -11.760 4.978 1.00 0.25 C ATOM 187 C GLU A 12 -7.497 -10.904 6.095 1.00 0.26 C ATOM 188 O GLU A 12 -8.204 -10.165 6.778 1.00 0.30 O ATOM 189 CB GLU A 12 -8.173 -13.219 5.461 1.00 0.29 C ATOM 190 CG GLU A 12 -8.699 -14.191 4.419 1.00 0.33 C ATOM 191 CD GLU A 12 -8.925 -15.585 4.966 1.00 0.40 C ATOM 192 OE1 GLU A 12 -10.028 -15.852 5.482 1.00 1.23 O ATOM 193 OE2 GLU A 12 -8.006 -16.428 4.873 1.00 1.10 O ATOM 0 H GLU A 12 -6.234 -11.389 4.066 1.00 0.23 H new ATOM 0 HA GLU A 12 -9.078 -11.437 4.700 1.00 0.25 H new ATOM 0 HB2 GLU A 12 -7.185 -13.550 5.783 1.00 0.29 H new ATOM 0 HB3 GLU A 12 -8.822 -13.257 6.336 1.00 0.29 H new ATOM 0 HG2 GLU A 12 -9.637 -13.809 4.016 1.00 0.33 H new ATOM 0 HG3 GLU A 12 -7.993 -14.243 3.590 1.00 0.33 H new ATOM 200 N LEU A 13 -6.181 -11.013 6.241 1.00 0.26 N ATOM 201 CA LEU A 13 -5.421 -10.264 7.237 1.00 0.27 C ATOM 202 C LEU A 13 -5.290 -8.797 6.844 1.00 0.26 C ATOM 203 O LEU A 13 -5.290 -7.902 7.691 1.00 0.41 O ATOM 204 CB LEU A 13 -4.018 -10.862 7.342 1.00 0.30 C ATOM 205 CG LEU A 13 -3.952 -12.380 7.494 1.00 0.31 C ATOM 206 CD1 LEU A 13 -2.541 -12.866 7.208 1.00 0.85 C ATOM 207 CD2 LEU A 13 -4.390 -12.805 8.886 1.00 0.72 C ATOM 0 H LEU A 13 -5.606 -11.629 5.666 1.00 0.26 H new ATOM 0 HA LEU A 13 -5.949 -10.327 8.189 1.00 0.27 H new ATOM 0 HB2 LEU A 13 -3.456 -10.580 6.452 1.00 0.30 H new ATOM 0 HB3 LEU A 13 -3.513 -10.408 8.195 1.00 0.30 H new ATOM 0 HG LEU A 13 -4.636 -12.832 6.775 1.00 0.31 H new ATOM 0 HD11 LEU A 13 -2.500 -13.950 7.318 1.00 0.85 H new ATOM 0 HD12 LEU A 13 -2.262 -12.594 6.190 1.00 0.85 H new ATOM 0 HD13 LEU A 13 -1.848 -12.404 7.910 1.00 0.85 H new ATOM 0 HD21 LEU A 13 -4.334 -13.890 8.969 1.00 0.72 H new ATOM 0 HD22 LEU A 13 -3.735 -12.350 9.628 1.00 0.72 H new ATOM 0 HD23 LEU A 13 -5.416 -12.480 9.060 1.00 0.72 H new ATOM 219 N GLY A 14 -5.176 -8.564 5.547 1.00 0.17 N ATOM 220 CA GLY A 14 -4.878 -7.238 5.046 1.00 0.16 C ATOM 221 C GLY A 14 -3.853 -7.292 3.934 1.00 0.12 C ATOM 222 O GLY A 14 -3.531 -6.280 3.319 1.00 0.12 O ATOM 0 H GLY A 14 -5.286 -9.276 4.825 1.00 0.17 H new ATOM 0 HA2 GLY A 14 -5.792 -6.771 4.680 1.00 0.16 H new ATOM 0 HA3 GLY A 14 -4.505 -6.615 5.858 1.00 0.16 H new ATOM 226 N ARG A 15 -3.343 -8.492 3.680 1.00 0.12 N ATOM 227 CA ARG A 15 -2.322 -8.703 2.660 1.00 0.11 C ATOM 228 C ARG A 15 -2.901 -8.483 1.267 1.00 0.10 C ATOM 229 O ARG A 15 -3.984 -8.977 0.961 1.00 0.14 O ATOM 230 CB ARG A 15 -1.762 -10.124 2.761 1.00 0.15 C ATOM 231 CG ARG A 15 -1.489 -10.584 4.182 1.00 0.25 C ATOM 232 CD ARG A 15 -0.644 -11.845 4.201 1.00 0.40 C ATOM 233 NE ARG A 15 0.651 -11.637 3.557 1.00 1.45 N ATOM 234 CZ ARG A 15 1.790 -12.197 3.959 1.00 1.87 C ATOM 235 NH1 ARG A 15 1.803 -13.044 4.983 1.00 1.51 N ATOM 236 NH2 ARG A 15 2.916 -11.919 3.317 1.00 3.03 N ATOM 0 H ARG A 15 -3.623 -9.341 4.171 1.00 0.12 H new ATOM 0 HA ARG A 15 -1.520 -7.984 2.827 1.00 0.11 H new ATOM 0 HB2 ARG A 15 -2.466 -10.814 2.296 1.00 0.15 H new ATOM 0 HB3 ARG A 15 -0.836 -10.180 2.188 1.00 0.15 H new ATOM 0 HG2 ARG A 15 -0.978 -9.793 4.731 1.00 0.25 H new ATOM 0 HG3 ARG A 15 -2.433 -10.769 4.694 1.00 0.25 H new ATOM 0 HD2 ARG A 15 -0.491 -12.165 5.232 1.00 0.40 H new ATOM 0 HD3 ARG A 15 -1.178 -12.649 3.694 1.00 0.40 H new ATOM 0 HE ARG A 15 0.685 -11.021 2.745 1.00 1.45 H new ATOM 0 HH11 ARG A 15 0.935 -13.270 5.469 1.00 1.51 H new ATOM 0 HH12 ARG A 15 2.681 -13.468 5.283 1.00 1.51 H new ATOM 0 HH21 ARG A 15 2.905 -11.280 2.522 1.00 3.03 H new ATOM 0 HH22 ARG A 15 3.793 -12.344 3.618 1.00 3.03 H new ATOM 250 N ILE A 16 -2.188 -7.736 0.429 1.00 0.09 N ATOM 251 CA ILE A 16 -2.621 -7.508 -0.946 1.00 0.09 C ATOM 252 C ILE A 16 -1.415 -7.588 -1.883 1.00 0.10 C ATOM 253 O ILE A 16 -0.290 -7.832 -1.444 1.00 0.12 O ATOM 254 CB ILE A 16 -3.357 -6.148 -1.141 1.00 0.10 C ATOM 255 CG1 ILE A 16 -2.367 -5.006 -1.389 1.00 0.11 C ATOM 256 CG2 ILE A 16 -4.253 -5.829 0.050 1.00 0.13 C ATOM 257 CD1 ILE A 16 -2.991 -3.624 -1.329 1.00 0.13 C ATOM 0 H ILE A 16 -1.310 -7.279 0.677 1.00 0.09 H new ATOM 0 HA ILE A 16 -3.342 -8.289 -1.186 1.00 0.09 H new ATOM 0 HB ILE A 16 -3.987 -6.246 -2.025 1.00 0.10 H new ATOM 0 HG12 ILE A 16 -1.568 -5.065 -0.650 1.00 0.11 H new ATOM 0 HG13 ILE A 16 -1.907 -5.144 -2.368 1.00 0.11 H new ATOM 0 HG21 ILE A 16 -4.753 -4.875 -0.116 1.00 0.13 H new ATOM 0 HG22 ILE A 16 -5.000 -6.615 0.164 1.00 0.13 H new ATOM 0 HG23 ILE A 16 -3.648 -5.769 0.955 1.00 0.13 H new ATOM 0 HD11 ILE A 16 -2.225 -2.871 -1.515 1.00 0.13 H new ATOM 0 HD12 ILE A 16 -3.771 -3.544 -2.087 1.00 0.13 H new ATOM 0 HD13 ILE A 16 -3.426 -3.464 -0.342 1.00 0.13 H new ATOM 269 N VAL A 17 -1.652 -7.388 -3.165 1.00 0.10 N ATOM 270 CA VAL A 17 -0.600 -7.493 -4.159 1.00 0.11 C ATOM 271 C VAL A 17 -0.250 -6.118 -4.726 1.00 0.12 C ATOM 272 O VAL A 17 -0.987 -5.559 -5.536 1.00 0.19 O ATOM 273 CB VAL A 17 -0.993 -8.471 -5.299 1.00 0.15 C ATOM 274 CG1 VAL A 17 -2.388 -8.173 -5.833 1.00 0.19 C ATOM 275 CG2 VAL A 17 0.035 -8.436 -6.423 1.00 0.17 C ATOM 0 H VAL A 17 -2.568 -7.151 -3.545 1.00 0.10 H new ATOM 0 HA VAL A 17 0.283 -7.897 -3.663 1.00 0.11 H new ATOM 0 HB VAL A 17 -1.007 -9.477 -4.879 1.00 0.15 H new ATOM 0 HG11 VAL A 17 -2.631 -8.876 -6.630 1.00 0.19 H new ATOM 0 HG12 VAL A 17 -3.115 -8.273 -5.027 1.00 0.19 H new ATOM 0 HG13 VAL A 17 -2.418 -7.156 -6.225 1.00 0.19 H new ATOM 0 HG21 VAL A 17 -0.262 -9.129 -7.210 1.00 0.17 H new ATOM 0 HG22 VAL A 17 0.093 -7.427 -6.831 1.00 0.17 H new ATOM 0 HG23 VAL A 17 1.011 -8.726 -6.033 1.00 0.17 H new ATOM 285 N MET A 18 0.865 -5.564 -4.276 1.00 0.11 N ATOM 286 CA MET A 18 1.322 -4.283 -4.790 1.00 0.12 C ATOM 287 C MET A 18 1.990 -4.501 -6.141 1.00 0.11 C ATOM 288 O MET A 18 2.566 -5.562 -6.387 1.00 0.13 O ATOM 289 CB MET A 18 2.286 -3.602 -3.815 1.00 0.15 C ATOM 290 CG MET A 18 1.715 -3.403 -2.419 1.00 0.28 C ATOM 291 SD MET A 18 0.065 -2.677 -2.426 1.00 0.84 S ATOM 292 CE MET A 18 0.406 -1.029 -3.028 1.00 0.80 C ATOM 0 H MET A 18 1.465 -5.977 -3.562 1.00 0.11 H new ATOM 0 HA MET A 18 0.463 -3.623 -4.908 1.00 0.12 H new ATOM 0 HB2 MET A 18 3.195 -4.198 -3.743 1.00 0.15 H new ATOM 0 HB3 MET A 18 2.572 -2.632 -4.221 1.00 0.15 H new ATOM 0 HG2 MET A 18 1.680 -4.365 -1.907 1.00 0.28 H new ATOM 0 HG3 MET A 18 2.385 -2.761 -1.847 1.00 0.28 H new ATOM 0 HE1 MET A 18 -0.408 -0.362 -2.743 1.00 0.80 H new ATOM 0 HE2 MET A 18 1.339 -0.669 -2.594 1.00 0.80 H new ATOM 0 HE3 MET A 18 0.495 -1.050 -4.114 1.00 0.80 H new ATOM 302 N PRO A 19 1.921 -3.516 -7.044 1.00 0.12 N ATOM 303 CA PRO A 19 2.367 -3.699 -8.414 1.00 0.13 C ATOM 304 C PRO A 19 3.877 -3.555 -8.590 1.00 0.13 C ATOM 305 O PRO A 19 4.567 -2.892 -7.799 1.00 0.13 O ATOM 306 CB PRO A 19 1.626 -2.595 -9.164 1.00 0.15 C ATOM 307 CG PRO A 19 1.447 -1.500 -8.167 1.00 0.16 C ATOM 308 CD PRO A 19 1.427 -2.149 -6.802 1.00 0.15 C ATOM 0 HA PRO A 19 2.157 -4.706 -8.774 1.00 0.13 H new ATOM 0 HB2 PRO A 19 2.197 -2.253 -10.027 1.00 0.15 H new ATOM 0 HB3 PRO A 19 0.665 -2.949 -9.538 1.00 0.15 H new ATOM 0 HG2 PRO A 19 2.259 -0.776 -8.239 1.00 0.16 H new ATOM 0 HG3 PRO A 19 0.519 -0.958 -8.351 1.00 0.16 H new ATOM 0 HD2 PRO A 19 2.064 -1.614 -6.098 1.00 0.15 H new ATOM 0 HD3 PRO A 19 0.422 -2.158 -6.380 1.00 0.15 H new ATOM 316 N ILE A 20 4.383 -4.180 -9.644 1.00 0.15 N ATOM 317 CA ILE A 20 5.772 -4.013 -10.044 1.00 0.16 C ATOM 318 C ILE A 20 6.103 -2.530 -10.161 1.00 0.16 C ATOM 319 O ILE A 20 7.209 -2.102 -9.865 1.00 0.16 O ATOM 320 CB ILE A 20 6.048 -4.717 -11.394 1.00 0.20 C ATOM 321 CG1 ILE A 20 7.443 -4.376 -11.941 1.00 0.24 C ATOM 322 CG2 ILE A 20 4.976 -4.349 -12.412 1.00 0.22 C ATOM 323 CD1 ILE A 20 8.588 -4.860 -11.079 1.00 0.26 C ATOM 0 H ILE A 20 3.848 -4.811 -10.240 1.00 0.15 H new ATOM 0 HA ILE A 20 6.404 -4.469 -9.282 1.00 0.16 H new ATOM 0 HB ILE A 20 6.018 -5.792 -11.216 1.00 0.20 H new ATOM 0 HG12 ILE A 20 7.545 -4.809 -12.936 1.00 0.24 H new ATOM 0 HG13 ILE A 20 7.521 -3.295 -12.054 1.00 0.24 H new ATOM 0 HG21 ILE A 20 5.183 -4.852 -13.357 1.00 0.22 H new ATOM 0 HG22 ILE A 20 4.000 -4.662 -12.041 1.00 0.22 H new ATOM 0 HG23 ILE A 20 4.977 -3.270 -12.567 1.00 0.22 H new ATOM 0 HD11 ILE A 20 9.535 -4.577 -11.539 1.00 0.26 H new ATOM 0 HD12 ILE A 20 8.515 -4.407 -10.090 1.00 0.26 H new ATOM 0 HD13 ILE A 20 8.540 -5.945 -10.986 1.00 0.26 H new ATOM 335 N GLU A 21 5.105 -1.757 -10.552 1.00 0.16 N ATOM 336 CA GLU A 21 5.247 -0.321 -10.702 1.00 0.17 C ATOM 337 C GLU A 21 5.636 0.342 -9.386 1.00 0.16 C ATOM 338 O GLU A 21 6.318 1.357 -9.391 1.00 0.19 O ATOM 339 CB GLU A 21 3.935 0.259 -11.212 1.00 0.18 C ATOM 340 CG GLU A 21 3.456 -0.404 -12.489 1.00 0.21 C ATOM 341 CD GLU A 21 4.389 -0.153 -13.654 1.00 0.28 C ATOM 342 OE1 GLU A 21 4.277 0.914 -14.291 1.00 1.08 O ATOM 343 OE2 GLU A 21 5.240 -1.023 -13.942 1.00 1.03 O ATOM 0 H GLU A 21 4.173 -2.108 -10.774 1.00 0.16 H new ATOM 0 HA GLU A 21 6.045 -0.124 -11.418 1.00 0.17 H new ATOM 0 HB2 GLU A 21 3.171 0.149 -10.442 1.00 0.18 H new ATOM 0 HB3 GLU A 21 4.059 1.328 -11.387 1.00 0.18 H new ATOM 0 HG2 GLU A 21 3.364 -1.478 -12.325 1.00 0.21 H new ATOM 0 HG3 GLU A 21 2.462 -0.033 -12.737 1.00 0.21 H new ATOM 350 N LEU A 22 5.223 -0.236 -8.259 1.00 0.14 N ATOM 351 CA LEU A 22 5.608 0.305 -6.964 1.00 0.15 C ATOM 352 C LEU A 22 7.011 -0.157 -6.627 1.00 0.15 C ATOM 353 O LEU A 22 7.798 0.577 -6.031 1.00 0.17 O ATOM 354 CB LEU A 22 4.603 -0.072 -5.859 1.00 0.18 C ATOM 355 CG LEU A 22 5.173 -0.793 -4.625 1.00 0.15 C ATOM 356 CD1 LEU A 22 4.301 -0.528 -3.410 1.00 0.19 C ATOM 357 CD2 LEU A 22 5.277 -2.294 -4.860 1.00 0.20 C ATOM 0 H LEU A 22 4.631 -1.066 -8.219 1.00 0.14 H new ATOM 0 HA LEU A 22 5.597 1.393 -7.023 1.00 0.15 H new ATOM 0 HB2 LEU A 22 4.109 0.840 -5.523 1.00 0.18 H new ATOM 0 HB3 LEU A 22 3.835 -0.707 -6.300 1.00 0.18 H new ATOM 0 HG LEU A 22 6.174 -0.401 -4.446 1.00 0.15 H new ATOM 0 HD11 LEU A 22 4.716 -1.044 -2.545 1.00 0.19 H new ATOM 0 HD12 LEU A 22 4.268 0.543 -3.212 1.00 0.19 H new ATOM 0 HD13 LEU A 22 3.292 -0.893 -3.600 1.00 0.19 H new ATOM 0 HD21 LEU A 22 5.683 -2.774 -3.970 1.00 0.20 H new ATOM 0 HD22 LEU A 22 4.287 -2.699 -5.071 1.00 0.20 H new ATOM 0 HD23 LEU A 22 5.935 -2.485 -5.708 1.00 0.20 H new ATOM 369 N ARG A 23 7.331 -1.377 -7.045 1.00 0.13 N ATOM 370 CA ARG A 23 8.692 -1.883 -6.885 1.00 0.16 C ATOM 371 C ARG A 23 9.653 -1.040 -7.714 1.00 0.20 C ATOM 372 O ARG A 23 10.809 -0.837 -7.338 1.00 0.25 O ATOM 373 CB ARG A 23 8.803 -3.357 -7.293 1.00 0.18 C ATOM 374 CG ARG A 23 7.983 -4.293 -6.424 1.00 0.17 C ATOM 375 CD ARG A 23 8.467 -5.738 -6.530 1.00 0.24 C ATOM 376 NE ARG A 23 7.999 -6.428 -7.732 1.00 0.69 N ATOM 377 CZ ARG A 23 8.804 -7.090 -8.564 1.00 0.53 C ATOM 378 NH1 ARG A 23 10.119 -7.050 -8.389 1.00 0.46 N ATOM 379 NH2 ARG A 23 8.292 -7.790 -9.569 1.00 1.05 N ATOM 0 H ARG A 23 6.681 -2.025 -7.490 1.00 0.13 H new ATOM 0 HA ARG A 23 8.954 -1.812 -5.829 1.00 0.16 H new ATOM 0 HB2 ARG A 23 8.483 -3.463 -8.329 1.00 0.18 H new ATOM 0 HB3 ARG A 23 9.849 -3.659 -7.250 1.00 0.18 H new ATOM 0 HG2 ARG A 23 8.039 -3.967 -5.386 1.00 0.17 H new ATOM 0 HG3 ARG A 23 6.935 -4.238 -6.719 1.00 0.17 H new ATOM 0 HD2 ARG A 23 9.557 -5.749 -6.517 1.00 0.24 H new ATOM 0 HD3 ARG A 23 8.132 -6.289 -5.651 1.00 0.24 H new ATOM 0 HE ARG A 23 7.002 -6.401 -7.946 1.00 0.69 H new ATOM 0 HH11 ARG A 23 10.515 -6.513 -7.618 1.00 0.46 H new ATOM 0 HH12 ARG A 23 10.734 -7.557 -9.026 1.00 0.46 H new ATOM 0 HH21 ARG A 23 7.282 -7.822 -9.706 1.00 1.05 H new ATOM 0 HH22 ARG A 23 8.909 -8.296 -10.205 1.00 1.05 H new ATOM 393 N ARG A 24 9.137 -0.528 -8.822 1.00 0.18 N ATOM 394 CA ARG A 24 9.903 0.287 -9.751 1.00 0.21 C ATOM 395 C ARG A 24 9.938 1.732 -9.292 1.00 0.23 C ATOM 396 O ARG A 24 10.921 2.444 -9.507 1.00 0.27 O ATOM 397 CB ARG A 24 9.269 0.208 -11.137 1.00 0.22 C ATOM 398 CG ARG A 24 9.349 -1.168 -11.763 1.00 0.23 C ATOM 399 CD ARG A 24 8.613 -1.201 -13.090 1.00 0.25 C ATOM 400 NE ARG A 24 9.255 -0.340 -14.083 1.00 0.35 N ATOM 401 CZ ARG A 24 8.601 0.364 -15.009 1.00 0.47 C ATOM 402 NH1 ARG A 24 7.279 0.291 -15.110 1.00 0.41 N ATOM 403 NH2 ARG A 24 9.273 1.145 -15.843 1.00 0.71 N ATOM 0 H ARG A 24 8.167 -0.668 -9.103 1.00 0.18 H new ATOM 0 HA ARG A 24 10.925 -0.091 -9.788 1.00 0.21 H new ATOM 0 HB2 ARG A 24 8.223 0.505 -11.066 1.00 0.22 H new ATOM 0 HB3 ARG A 24 9.761 0.926 -11.794 1.00 0.22 H new ATOM 0 HG2 ARG A 24 10.393 -1.443 -11.914 1.00 0.23 H new ATOM 0 HG3 ARG A 24 8.920 -1.906 -11.086 1.00 0.23 H new ATOM 0 HD2 ARG A 24 8.579 -2.225 -13.463 1.00 0.25 H new ATOM 0 HD3 ARG A 24 7.581 -0.881 -12.943 1.00 0.25 H new ATOM 0 HE ARG A 24 10.273 -0.273 -14.067 1.00 0.35 H new ATOM 0 HH11 ARG A 24 6.751 -0.308 -14.475 1.00 0.41 H new ATOM 0 HH12 ARG A 24 6.791 0.834 -15.822 1.00 0.41 H new ATOM 0 HH21 ARG A 24 10.289 1.207 -15.777 1.00 0.71 H new ATOM 0 HH22 ARG A 24 8.774 1.684 -16.551 1.00 0.71 H new ATOM 417 N ALA A 25 8.853 2.156 -8.661 1.00 0.21 N ATOM 418 CA ALA A 25 8.719 3.527 -8.193 1.00 0.23 C ATOM 419 C ALA A 25 9.665 3.778 -7.042 1.00 0.25 C ATOM 420 O ALA A 25 10.263 4.846 -6.926 1.00 0.26 O ATOM 421 CB ALA A 25 7.291 3.807 -7.760 1.00 0.23 C ATOM 0 H ALA A 25 8.047 1.564 -8.460 1.00 0.21 H new ATOM 0 HA ALA A 25 8.971 4.197 -9.015 1.00 0.23 H new ATOM 0 HB1 ALA A 25 7.211 4.837 -7.413 1.00 0.23 H new ATOM 0 HB2 ALA A 25 6.618 3.655 -8.604 1.00 0.23 H new ATOM 0 HB3 ALA A 25 7.017 3.130 -6.951 1.00 0.23 H new ATOM 427 N LEU A 26 9.806 2.772 -6.204 1.00 0.30 N ATOM 428 CA LEU A 26 10.638 2.880 -5.028 1.00 0.36 C ATOM 429 C LEU A 26 12.050 2.373 -5.293 1.00 0.39 C ATOM 430 O LEU A 26 12.920 3.143 -5.700 1.00 0.52 O ATOM 431 CB LEU A 26 9.990 2.111 -3.879 1.00 0.33 C ATOM 432 CG LEU A 26 8.686 2.714 -3.355 1.00 0.37 C ATOM 433 CD1 LEU A 26 8.043 1.794 -2.330 1.00 0.37 C ATOM 434 CD2 LEU A 26 8.941 4.082 -2.749 1.00 0.47 C ATOM 0 H LEU A 26 9.351 1.866 -6.318 1.00 0.30 H new ATOM 0 HA LEU A 26 10.723 3.932 -4.756 1.00 0.36 H new ATOM 0 HB2 LEU A 26 9.795 1.091 -4.209 1.00 0.33 H new ATOM 0 HB3 LEU A 26 10.701 2.049 -3.056 1.00 0.33 H new ATOM 0 HG LEU A 26 8.000 2.827 -4.194 1.00 0.37 H new ATOM 0 HD11 LEU A 26 7.117 2.242 -1.970 1.00 0.37 H new ATOM 0 HD12 LEU A 26 7.825 0.831 -2.792 1.00 0.37 H new ATOM 0 HD13 LEU A 26 8.725 1.649 -1.493 1.00 0.37 H new ATOM 0 HD21 LEU A 26 8.003 4.497 -2.381 1.00 0.47 H new ATOM 0 HD22 LEU A 26 9.646 3.988 -1.923 1.00 0.47 H new ATOM 0 HD23 LEU A 26 9.358 4.744 -3.508 1.00 0.47 H new ATOM 446 N ASP A 27 12.260 1.075 -5.088 1.00 0.32 N ATOM 447 CA ASP A 27 13.600 0.486 -5.174 1.00 0.41 C ATOM 448 C ASP A 27 13.540 -1.004 -4.825 1.00 0.35 C ATOM 449 O ASP A 27 14.537 -1.603 -4.440 1.00 0.57 O ATOM 450 CB ASP A 27 14.540 1.225 -4.199 1.00 0.60 C ATOM 451 CG ASP A 27 16.007 0.878 -4.370 1.00 0.85 C ATOM 452 OD1 ASP A 27 16.629 1.361 -5.340 1.00 1.72 O ATOM 453 OD2 ASP A 27 16.560 0.172 -3.506 1.00 1.36 O ATOM 0 H ASP A 27 11.522 0.409 -4.861 1.00 0.32 H new ATOM 0 HA ASP A 27 13.980 0.588 -6.190 1.00 0.41 H new ATOM 0 HB2 ASP A 27 14.414 2.299 -4.334 1.00 0.60 H new ATOM 0 HB3 ASP A 27 14.240 0.994 -3.177 1.00 0.60 H new ATOM 458 N ILE A 28 12.369 -1.612 -4.993 1.00 0.22 N ATOM 459 CA ILE A 28 12.164 -2.991 -4.554 1.00 0.18 C ATOM 460 C ILE A 28 12.662 -3.975 -5.601 1.00 0.22 C ATOM 461 O ILE A 28 12.311 -3.872 -6.775 1.00 0.28 O ATOM 462 CB ILE A 28 10.678 -3.308 -4.231 1.00 0.15 C ATOM 463 CG1 ILE A 28 10.213 -2.597 -2.958 1.00 0.14 C ATOM 464 CG2 ILE A 28 10.479 -4.804 -4.077 1.00 0.16 C ATOM 465 CD1 ILE A 28 10.055 -1.105 -3.102 1.00 0.19 C ATOM 0 H ILE A 28 11.554 -1.177 -5.426 1.00 0.22 H new ATOM 0 HA ILE A 28 12.740 -3.100 -3.635 1.00 0.18 H new ATOM 0 HB ILE A 28 10.078 -2.943 -5.065 1.00 0.15 H new ATOM 0 HG12 ILE A 28 9.259 -3.023 -2.646 1.00 0.14 H new ATOM 0 HG13 ILE A 28 10.929 -2.799 -2.161 1.00 0.14 H new ATOM 0 HG21 ILE A 28 9.433 -5.011 -3.851 1.00 0.16 H new ATOM 0 HG22 ILE A 28 10.756 -5.305 -5.005 1.00 0.16 H new ATOM 0 HG23 ILE A 28 11.105 -5.173 -3.265 1.00 0.16 H new ATOM 0 HD11 ILE A 28 9.723 -0.681 -2.154 1.00 0.19 H new ATOM 0 HD12 ILE A 28 11.011 -0.663 -3.382 1.00 0.19 H new ATOM 0 HD13 ILE A 28 9.316 -0.890 -3.874 1.00 0.19 H new ATOM 477 N ALA A 29 13.469 -4.935 -5.167 1.00 0.21 N ATOM 478 CA ALA A 29 14.018 -5.924 -6.081 1.00 0.25 C ATOM 479 C ALA A 29 13.213 -7.211 -6.047 1.00 0.25 C ATOM 480 O ALA A 29 12.839 -7.754 -7.088 1.00 0.30 O ATOM 481 CB ALA A 29 15.482 -6.196 -5.764 1.00 0.30 C ATOM 0 H ALA A 29 13.755 -5.048 -4.195 1.00 0.21 H new ATOM 0 HA ALA A 29 13.955 -5.517 -7.090 1.00 0.25 H new ATOM 0 HB1 ALA A 29 15.873 -6.939 -6.459 1.00 0.30 H new ATOM 0 HB2 ALA A 29 16.053 -5.272 -5.861 1.00 0.30 H new ATOM 0 HB3 ALA A 29 15.570 -6.572 -4.745 1.00 0.30 H new ATOM 487 N ILE A 30 12.946 -7.695 -4.847 1.00 0.23 N ATOM 488 CA ILE A 30 12.176 -8.918 -4.668 1.00 0.25 C ATOM 489 C ILE A 30 11.428 -8.877 -3.340 1.00 0.22 C ATOM 490 O ILE A 30 10.354 -9.446 -3.208 1.00 0.22 O ATOM 491 CB ILE A 30 13.088 -10.172 -4.756 1.00 0.29 C ATOM 492 CG1 ILE A 30 12.267 -11.475 -4.801 1.00 0.32 C ATOM 493 CG2 ILE A 30 14.088 -10.195 -3.603 1.00 0.30 C ATOM 494 CD1 ILE A 30 12.030 -12.130 -3.454 1.00 0.33 C ATOM 0 H ILE A 30 13.252 -7.259 -3.977 1.00 0.23 H new ATOM 0 HA ILE A 30 11.446 -8.987 -5.475 1.00 0.25 H new ATOM 0 HB ILE A 30 13.644 -10.108 -5.692 1.00 0.29 H new ATOM 0 HG12 ILE A 30 11.301 -11.263 -5.260 1.00 0.32 H new ATOM 0 HG13 ILE A 30 12.778 -12.187 -5.449 1.00 0.32 H new ATOM 0 HG21 ILE A 30 14.717 -11.082 -3.684 1.00 0.30 H new ATOM 0 HG22 ILE A 30 14.712 -9.302 -3.645 1.00 0.30 H new ATOM 0 HG23 ILE A 30 13.550 -10.217 -2.655 1.00 0.30 H new ATOM 0 HD11 ILE A 30 11.444 -13.039 -3.590 1.00 0.33 H new ATOM 0 HD12 ILE A 30 12.988 -12.380 -2.998 1.00 0.33 H new ATOM 0 HD13 ILE A 30 11.488 -11.442 -2.805 1.00 0.33 H new ATOM 506 N LYS A 31 12.008 -8.182 -2.370 1.00 0.21 N ATOM 507 CA LYS A 31 11.383 -7.974 -1.071 1.00 0.19 C ATOM 508 C LYS A 31 11.580 -6.526 -0.644 1.00 0.17 C ATOM 509 O LYS A 31 10.625 -5.818 -0.326 1.00 0.17 O ATOM 510 CB LYS A 31 11.993 -8.902 -0.012 1.00 0.22 C ATOM 511 CG LYS A 31 11.991 -10.369 -0.405 1.00 0.26 C ATOM 512 CD LYS A 31 12.313 -11.272 0.773 1.00 0.35 C ATOM 513 CE LYS A 31 11.165 -11.318 1.769 1.00 0.47 C ATOM 514 NZ LYS A 31 11.388 -12.343 2.822 1.00 1.46 N ATOM 0 H LYS A 31 12.926 -7.746 -2.462 1.00 0.21 H new ATOM 0 HA LYS A 31 10.320 -8.200 -1.158 1.00 0.19 H new ATOM 0 HB2 LYS A 31 13.019 -8.590 0.183 1.00 0.22 H new ATOM 0 HB3 LYS A 31 11.441 -8.785 0.921 1.00 0.22 H new ATOM 0 HG2 LYS A 31 11.015 -10.635 -0.810 1.00 0.26 H new ATOM 0 HG3 LYS A 31 12.720 -10.533 -1.198 1.00 0.26 H new ATOM 0 HD2 LYS A 31 12.525 -12.279 0.414 1.00 0.35 H new ATOM 0 HD3 LYS A 31 13.214 -10.915 1.271 1.00 0.35 H new ATOM 0 HE2 LYS A 31 11.048 -10.339 2.234 1.00 0.47 H new ATOM 0 HE3 LYS A 31 10.235 -11.534 1.242 1.00 0.47 H new ATOM 0 HZ1 LYS A 31 10.584 -12.344 3.482 1.00 1.46 H new ATOM 0 HZ2 LYS A 31 11.475 -13.281 2.381 1.00 1.46 H new ATOM 0 HZ3 LYS A 31 12.262 -12.123 3.341 1.00 1.46 H new ATOM 528 N ASP A 32 12.838 -6.104 -0.691 1.00 0.17 N ATOM 529 CA ASP A 32 13.273 -4.771 -0.276 1.00 0.16 C ATOM 530 C ASP A 32 12.521 -4.221 0.936 1.00 0.17 C ATOM 531 O ASP A 32 12.623 -4.786 2.018 1.00 0.25 O ATOM 532 CB ASP A 32 13.239 -3.821 -1.461 1.00 0.16 C ATOM 533 CG ASP A 32 14.622 -3.663 -2.042 1.00 0.20 C ATOM 534 OD1 ASP A 32 15.395 -2.837 -1.521 1.00 1.18 O ATOM 535 OD2 ASP A 32 14.955 -4.399 -2.989 1.00 1.05 O ATOM 0 H ASP A 32 13.603 -6.690 -1.026 1.00 0.17 H new ATOM 0 HA ASP A 32 14.303 -4.864 0.068 1.00 0.16 H new ATOM 0 HB2 ASP A 32 12.558 -4.202 -2.222 1.00 0.16 H new ATOM 0 HB3 ASP A 32 12.855 -2.850 -1.147 1.00 0.16 H new ATOM 540 N SER A 33 11.789 -3.114 0.778 1.00 0.13 N ATOM 541 CA SER A 33 11.104 -2.483 1.913 1.00 0.13 C ATOM 542 C SER A 33 10.012 -1.521 1.442 1.00 0.14 C ATOM 543 O SER A 33 10.236 -0.731 0.523 1.00 0.18 O ATOM 544 CB SER A 33 12.096 -1.686 2.772 1.00 0.17 C ATOM 545 OG SER A 33 13.244 -2.448 3.108 1.00 0.21 O ATOM 0 H SER A 33 11.655 -2.639 -0.115 1.00 0.13 H new ATOM 0 HA SER A 33 10.657 -3.288 2.497 1.00 0.13 H new ATOM 0 HB2 SER A 33 12.402 -0.789 2.233 1.00 0.17 H new ATOM 0 HB3 SER A 33 11.601 -1.356 3.685 1.00 0.17 H new ATOM 0 HG SER A 33 13.013 -3.400 3.117 1.00 0.21 H new ATOM 551 N ILE A 34 8.841 -1.585 2.078 1.00 0.13 N ATOM 552 CA ILE A 34 7.779 -0.606 1.840 1.00 0.15 C ATOM 553 C ILE A 34 7.145 -0.200 3.166 1.00 0.13 C ATOM 554 O ILE A 34 6.433 -0.986 3.782 1.00 0.14 O ATOM 555 CB ILE A 34 6.653 -1.125 0.911 1.00 0.20 C ATOM 556 CG1 ILE A 34 7.210 -1.842 -0.318 1.00 0.19 C ATOM 557 CG2 ILE A 34 5.773 0.030 0.477 1.00 0.28 C ATOM 558 CD1 ILE A 34 7.432 -3.321 -0.098 1.00 0.19 C ATOM 0 H ILE A 34 8.604 -2.304 2.761 1.00 0.13 H new ATOM 0 HA ILE A 34 8.257 0.239 1.344 1.00 0.15 H new ATOM 0 HB ILE A 34 6.065 -1.848 1.476 1.00 0.20 H new ATOM 0 HG12 ILE A 34 6.522 -1.705 -1.153 1.00 0.19 H new ATOM 0 HG13 ILE A 34 8.154 -1.378 -0.604 1.00 0.19 H new ATOM 0 HG21 ILE A 34 4.983 -0.340 -0.176 1.00 0.28 H new ATOM 0 HG22 ILE A 34 5.328 0.499 1.355 1.00 0.28 H new ATOM 0 HG23 ILE A 34 6.374 0.763 -0.060 1.00 0.28 H new ATOM 0 HD11 ILE A 34 7.828 -3.769 -1.009 1.00 0.19 H new ATOM 0 HD12 ILE A 34 8.143 -3.465 0.716 1.00 0.19 H new ATOM 0 HD13 ILE A 34 6.485 -3.797 0.158 1.00 0.19 H new ATOM 570 N GLU A 35 7.424 1.012 3.609 1.00 0.14 N ATOM 571 CA GLU A 35 6.873 1.520 4.860 1.00 0.13 C ATOM 572 C GLU A 35 5.737 2.483 4.554 1.00 0.15 C ATOM 573 O GLU A 35 5.837 3.289 3.628 1.00 0.20 O ATOM 574 CB GLU A 35 7.972 2.212 5.671 1.00 0.16 C ATOM 575 CG GLU A 35 7.493 2.819 6.981 1.00 0.28 C ATOM 576 CD GLU A 35 8.628 3.391 7.807 1.00 0.45 C ATOM 577 OE1 GLU A 35 9.488 4.098 7.233 1.00 1.31 O ATOM 578 OE2 GLU A 35 8.651 3.152 9.031 1.00 1.08 O ATOM 0 H GLU A 35 8.032 1.669 3.121 1.00 0.14 H new ATOM 0 HA GLU A 35 6.482 0.694 5.454 1.00 0.13 H new ATOM 0 HB2 GLU A 35 8.759 1.489 5.885 1.00 0.16 H new ATOM 0 HB3 GLU A 35 8.418 2.998 5.061 1.00 0.16 H new ATOM 0 HG2 GLU A 35 6.770 3.606 6.769 1.00 0.28 H new ATOM 0 HG3 GLU A 35 6.974 2.057 7.562 1.00 0.28 H new ATOM 585 N PHE A 36 4.652 2.395 5.309 1.00 0.16 N ATOM 586 CA PHE A 36 3.478 3.201 5.012 1.00 0.17 C ATOM 587 C PHE A 36 3.111 4.155 6.146 1.00 0.18 C ATOM 588 O PHE A 36 3.400 3.915 7.322 1.00 0.19 O ATOM 589 CB PHE A 36 2.268 2.331 4.638 1.00 0.20 C ATOM 590 CG PHE A 36 2.488 0.855 4.777 1.00 0.17 C ATOM 591 CD1 PHE A 36 3.106 0.142 3.765 1.00 1.25 C ATOM 592 CD2 PHE A 36 2.063 0.181 5.907 1.00 1.16 C ATOM 593 CE1 PHE A 36 3.299 -1.217 3.878 1.00 1.33 C ATOM 594 CE2 PHE A 36 2.252 -1.179 6.023 1.00 1.13 C ATOM 595 CZ PHE A 36 2.871 -1.878 5.009 1.00 0.41 C ATOM 0 H PHE A 36 4.560 1.783 6.120 1.00 0.16 H new ATOM 0 HA PHE A 36 3.749 3.809 4.149 1.00 0.17 H new ATOM 0 HB2 PHE A 36 1.424 2.619 5.265 1.00 0.20 H new ATOM 0 HB3 PHE A 36 1.988 2.547 3.607 1.00 0.20 H new ATOM 0 HD1 PHE A 36 3.441 0.657 2.877 1.00 1.25 H new ATOM 0 HD2 PHE A 36 1.579 0.725 6.705 1.00 1.16 H new ATOM 0 HE1 PHE A 36 3.784 -1.763 3.083 1.00 1.33 H new ATOM 0 HE2 PHE A 36 1.915 -1.697 6.909 1.00 1.13 H new ATOM 0 HZ PHE A 36 3.021 -2.944 5.101 1.00 0.41 H new ATOM 605 N PHE A 37 2.464 5.240 5.752 1.00 0.21 N ATOM 606 CA PHE A 37 2.009 6.283 6.657 1.00 0.25 C ATOM 607 C PHE A 37 0.535 6.526 6.396 1.00 0.32 C ATOM 608 O PHE A 37 0.151 6.810 5.270 1.00 0.65 O ATOM 609 CB PHE A 37 2.818 7.567 6.395 1.00 0.36 C ATOM 610 CG PHE A 37 2.448 8.759 7.246 1.00 0.76 C ATOM 611 CD1 PHE A 37 1.301 9.496 6.984 1.00 1.71 C ATOM 612 CD2 PHE A 37 3.263 9.154 8.293 1.00 1.41 C ATOM 613 CE1 PHE A 37 0.978 10.598 7.751 1.00 2.22 C ATOM 614 CE2 PHE A 37 2.943 10.256 9.065 1.00 1.87 C ATOM 615 CZ PHE A 37 1.799 10.978 8.794 1.00 2.02 C ATOM 0 H PHE A 37 2.236 5.424 4.775 1.00 0.21 H new ATOM 0 HA PHE A 37 2.153 5.985 7.696 1.00 0.25 H new ATOM 0 HB2 PHE A 37 3.874 7.347 6.550 1.00 0.36 H new ATOM 0 HB3 PHE A 37 2.700 7.841 5.347 1.00 0.36 H new ATOM 0 HD1 PHE A 37 0.653 9.204 6.170 1.00 1.71 H new ATOM 0 HD2 PHE A 37 4.161 8.594 8.510 1.00 1.41 H new ATOM 0 HE1 PHE A 37 0.083 11.163 7.535 1.00 2.22 H new ATOM 0 HE2 PHE A 37 3.588 10.551 9.879 1.00 1.87 H new ATOM 0 HZ PHE A 37 1.546 11.838 9.396 1.00 2.02 H new ATOM 625 N VAL A 38 -0.295 6.401 7.408 1.00 0.20 N ATOM 626 CA VAL A 38 -1.710 6.641 7.213 1.00 0.18 C ATOM 627 C VAL A 38 -2.051 8.089 7.520 1.00 0.18 C ATOM 628 O VAL A 38 -1.632 8.649 8.536 1.00 0.23 O ATOM 629 CB VAL A 38 -2.596 5.678 8.028 1.00 0.21 C ATOM 630 CG1 VAL A 38 -2.220 5.675 9.501 1.00 0.27 C ATOM 631 CG2 VAL A 38 -4.067 6.027 7.846 1.00 0.23 C ATOM 0 H VAL A 38 -0.024 6.140 8.356 1.00 0.20 H new ATOM 0 HA VAL A 38 -1.926 6.443 6.163 1.00 0.18 H new ATOM 0 HB VAL A 38 -2.426 4.670 7.649 1.00 0.21 H new ATOM 0 HG11 VAL A 38 -2.868 4.984 10.040 1.00 0.27 H new ATOM 0 HG12 VAL A 38 -1.182 5.361 9.611 1.00 0.27 H new ATOM 0 HG13 VAL A 38 -2.340 6.678 9.909 1.00 0.27 H new ATOM 0 HG21 VAL A 38 -4.679 5.338 8.428 1.00 0.23 H new ATOM 0 HG22 VAL A 38 -4.244 7.047 8.188 1.00 0.23 H new ATOM 0 HG23 VAL A 38 -4.332 5.947 6.792 1.00 0.23 H new ATOM 641 N ASP A 39 -2.798 8.678 6.612 1.00 0.17 N ATOM 642 CA ASP A 39 -3.104 10.096 6.643 1.00 0.21 C ATOM 643 C ASP A 39 -4.589 10.293 6.397 1.00 0.23 C ATOM 644 O ASP A 39 -5.056 10.173 5.264 1.00 0.25 O ATOM 645 CB ASP A 39 -2.279 10.822 5.577 1.00 0.25 C ATOM 646 CG ASP A 39 -2.620 12.292 5.448 1.00 0.30 C ATOM 647 OD1 ASP A 39 -2.229 13.079 6.329 1.00 1.16 O ATOM 648 OD2 ASP A 39 -3.243 12.673 4.435 1.00 1.13 O ATOM 0 H ASP A 39 -3.215 8.184 5.823 1.00 0.17 H new ATOM 0 HA ASP A 39 -2.851 10.510 7.619 1.00 0.21 H new ATOM 0 HB2 ASP A 39 -1.221 10.722 5.817 1.00 0.25 H new ATOM 0 HB3 ASP A 39 -2.434 10.335 4.614 1.00 0.25 H new ATOM 653 N GLY A 40 -5.327 10.559 7.466 1.00 0.26 N ATOM 654 CA GLY A 40 -6.770 10.636 7.368 1.00 0.31 C ATOM 655 C GLY A 40 -7.378 9.270 7.131 1.00 0.27 C ATOM 656 O GLY A 40 -7.571 8.496 8.069 1.00 0.32 O ATOM 0 H GLY A 40 -4.951 10.723 8.400 1.00 0.26 H new ATOM 0 HA2 GLY A 40 -7.177 11.064 8.284 1.00 0.31 H new ATOM 0 HA3 GLY A 40 -7.046 11.306 6.554 1.00 0.31 H new ATOM 660 N ASP A 41 -7.659 8.969 5.875 1.00 0.25 N ATOM 661 CA ASP A 41 -8.180 7.662 5.493 1.00 0.25 C ATOM 662 C ASP A 41 -7.198 6.972 4.555 1.00 0.22 C ATOM 663 O ASP A 41 -7.322 5.789 4.261 1.00 0.30 O ATOM 664 CB ASP A 41 -9.535 7.796 4.785 1.00 0.36 C ATOM 665 CG ASP A 41 -10.598 8.473 5.631 1.00 1.20 C ATOM 666 OD1 ASP A 41 -11.309 7.772 6.377 1.00 2.00 O ATOM 667 OD2 ASP A 41 -10.746 9.712 5.529 1.00 1.84 O ATOM 0 H ASP A 41 -7.535 9.615 5.095 1.00 0.25 H new ATOM 0 HA ASP A 41 -8.312 7.072 6.400 1.00 0.25 H new ATOM 0 HB2 ASP A 41 -9.400 8.363 3.864 1.00 0.36 H new ATOM 0 HB3 ASP A 41 -9.886 6.804 4.500 1.00 0.36 H new ATOM 672 N LYS A 42 -6.205 7.726 4.118 1.00 0.21 N ATOM 673 CA LYS A 42 -5.305 7.305 3.061 1.00 0.24 C ATOM 674 C LYS A 42 -4.071 6.611 3.621 1.00 0.17 C ATOM 675 O LYS A 42 -3.698 6.821 4.775 1.00 0.17 O ATOM 676 CB LYS A 42 -4.894 8.545 2.259 1.00 0.36 C ATOM 677 CG LYS A 42 -3.574 8.408 1.518 1.00 0.31 C ATOM 678 CD LYS A 42 -3.119 9.744 0.949 1.00 0.31 C ATOM 679 CE LYS A 42 -2.871 10.750 2.064 1.00 0.73 C ATOM 680 NZ LYS A 42 -2.518 12.102 1.556 1.00 1.05 N ATOM 0 H LYS A 42 -6.000 8.654 4.489 1.00 0.21 H new ATOM 0 HA LYS A 42 -5.817 6.586 2.421 1.00 0.24 H new ATOM 0 HB2 LYS A 42 -5.679 8.772 1.538 1.00 0.36 H new ATOM 0 HB3 LYS A 42 -4.829 9.396 2.937 1.00 0.36 H new ATOM 0 HG2 LYS A 42 -2.813 8.020 2.195 1.00 0.31 H new ATOM 0 HG3 LYS A 42 -3.681 7.684 0.710 1.00 0.31 H new ATOM 0 HD2 LYS A 42 -2.207 9.605 0.369 1.00 0.31 H new ATOM 0 HD3 LYS A 42 -3.876 10.130 0.266 1.00 0.31 H new ATOM 0 HE2 LYS A 42 -3.763 10.823 2.686 1.00 0.73 H new ATOM 0 HE3 LYS A 42 -2.066 10.386 2.703 1.00 0.73 H new ATOM 0 HZ1 LYS A 42 -2.658 12.804 2.311 1.00 1.05 H new ATOM 0 HZ2 LYS A 42 -1.523 12.111 1.255 1.00 1.05 H new ATOM 0 HZ3 LYS A 42 -3.127 12.339 0.747 1.00 1.05 H new ATOM 694 N ILE A 43 -3.430 5.804 2.791 1.00 0.16 N ATOM 695 CA ILE A 43 -2.189 5.156 3.168 1.00 0.14 C ATOM 696 C ILE A 43 -1.076 5.614 2.224 1.00 0.15 C ATOM 697 O ILE A 43 -1.295 5.753 1.021 1.00 0.17 O ATOM 698 CB ILE A 43 -2.302 3.615 3.118 1.00 0.15 C ATOM 699 CG1 ILE A 43 -3.468 3.119 3.985 1.00 0.14 C ATOM 700 CG2 ILE A 43 -0.998 2.974 3.573 1.00 0.18 C ATOM 701 CD1 ILE A 43 -3.227 3.242 5.478 1.00 0.15 C ATOM 0 H ILE A 43 -3.752 5.583 1.849 1.00 0.16 H new ATOM 0 HA ILE A 43 -1.961 5.439 4.196 1.00 0.14 H new ATOM 0 HB ILE A 43 -2.498 3.324 2.086 1.00 0.15 H new ATOM 0 HG12 ILE A 43 -4.365 3.682 3.725 1.00 0.14 H new ATOM 0 HG13 ILE A 43 -3.666 2.074 3.745 1.00 0.14 H new ATOM 0 HG21 ILE A 43 -1.092 1.889 3.533 1.00 0.18 H new ATOM 0 HG22 ILE A 43 -0.188 3.292 2.917 1.00 0.18 H new ATOM 0 HG23 ILE A 43 -0.779 3.281 4.596 1.00 0.18 H new ATOM 0 HD11 ILE A 43 -4.097 2.870 6.019 1.00 0.15 H new ATOM 0 HD12 ILE A 43 -2.351 2.656 5.755 1.00 0.15 H new ATOM 0 HD13 ILE A 43 -3.060 4.288 5.735 1.00 0.15 H new ATOM 713 N ILE A 44 0.103 5.855 2.771 1.00 0.14 N ATOM 714 CA ILE A 44 1.208 6.419 2.004 1.00 0.16 C ATOM 715 C ILE A 44 2.417 5.493 2.042 1.00 0.16 C ATOM 716 O ILE A 44 3.056 5.347 3.079 1.00 0.22 O ATOM 717 CB ILE A 44 1.605 7.798 2.573 1.00 0.20 C ATOM 718 CG1 ILE A 44 0.373 8.702 2.673 1.00 0.28 C ATOM 719 CG2 ILE A 44 2.677 8.446 1.707 1.00 0.22 C ATOM 720 CD1 ILE A 44 0.592 9.932 3.525 1.00 0.27 C ATOM 0 H ILE A 44 0.324 5.669 3.749 1.00 0.14 H new ATOM 0 HA ILE A 44 0.879 6.533 0.971 1.00 0.16 H new ATOM 0 HB ILE A 44 2.015 7.657 3.573 1.00 0.20 H new ATOM 0 HG12 ILE A 44 0.078 9.012 1.671 1.00 0.28 H new ATOM 0 HG13 ILE A 44 -0.456 8.127 3.086 1.00 0.28 H new ATOM 0 HG21 ILE A 44 2.944 9.417 2.124 1.00 0.22 H new ATOM 0 HG22 ILE A 44 3.560 7.807 1.682 1.00 0.22 H new ATOM 0 HG23 ILE A 44 2.296 8.578 0.694 1.00 0.22 H new ATOM 0 HD11 ILE A 44 -0.322 10.525 3.550 1.00 0.27 H new ATOM 0 HD12 ILE A 44 0.857 9.630 4.538 1.00 0.27 H new ATOM 0 HD13 ILE A 44 1.400 10.529 3.101 1.00 0.27 H new ATOM 732 N LEU A 45 2.724 4.871 0.915 1.00 0.15 N ATOM 733 CA LEU A 45 3.809 3.899 0.849 1.00 0.17 C ATOM 734 C LEU A 45 5.099 4.532 0.347 1.00 0.20 C ATOM 735 O LEU A 45 5.094 5.313 -0.609 1.00 0.26 O ATOM 736 CB LEU A 45 3.425 2.713 -0.041 1.00 0.21 C ATOM 737 CG LEU A 45 2.595 1.619 0.643 1.00 0.21 C ATOM 738 CD1 LEU A 45 1.253 2.153 1.105 1.00 0.18 C ATOM 739 CD2 LEU A 45 2.393 0.439 -0.294 1.00 0.32 C ATOM 0 H LEU A 45 2.238 5.021 0.031 1.00 0.15 H new ATOM 0 HA LEU A 45 3.981 3.538 1.863 1.00 0.17 H new ATOM 0 HB2 LEU A 45 2.864 3.089 -0.897 1.00 0.21 H new ATOM 0 HB3 LEU A 45 4.338 2.263 -0.431 1.00 0.21 H new ATOM 0 HG LEU A 45 3.148 1.284 1.521 1.00 0.21 H new ATOM 0 HD11 LEU A 45 0.689 1.353 1.585 1.00 0.18 H new ATOM 0 HD12 LEU A 45 1.409 2.964 1.816 1.00 0.18 H new ATOM 0 HD13 LEU A 45 0.694 2.526 0.246 1.00 0.18 H new ATOM 0 HD21 LEU A 45 1.802 -0.327 0.208 1.00 0.32 H new ATOM 0 HD22 LEU A 45 1.870 0.772 -1.190 1.00 0.32 H new ATOM 0 HD23 LEU A 45 3.362 0.025 -0.572 1.00 0.32 H new ATOM 751 N LYS A 46 6.195 4.188 1.015 1.00 0.19 N ATOM 752 CA LYS A 46 7.521 4.671 0.660 1.00 0.30 C ATOM 753 C LYS A 46 8.560 3.592 0.923 1.00 0.22 C ATOM 754 O LYS A 46 8.278 2.564 1.536 1.00 0.30 O ATOM 755 CB LYS A 46 7.875 5.912 1.482 1.00 0.52 C ATOM 756 CG LYS A 46 8.114 5.594 2.947 1.00 0.86 C ATOM 757 CD LYS A 46 8.720 6.763 3.698 1.00 1.04 C ATOM 758 CE LYS A 46 9.156 6.337 5.087 1.00 1.30 C ATOM 759 NZ LYS A 46 10.213 5.295 5.045 1.00 2.16 N ATOM 0 H LYS A 46 6.186 3.563 1.821 1.00 0.19 H new ATOM 0 HA LYS A 46 7.517 4.927 -0.400 1.00 0.30 H new ATOM 0 HB2 LYS A 46 8.768 6.377 1.065 1.00 0.52 H new ATOM 0 HB3 LYS A 46 7.068 6.640 1.399 1.00 0.52 H new ATOM 0 HG2 LYS A 46 7.170 5.315 3.415 1.00 0.86 H new ATOM 0 HG3 LYS A 46 8.776 4.732 3.026 1.00 0.86 H new ATOM 0 HD2 LYS A 46 9.575 7.153 3.146 1.00 1.04 H new ATOM 0 HD3 LYS A 46 7.993 7.572 3.771 1.00 1.04 H new ATOM 0 HE2 LYS A 46 9.525 7.205 5.633 1.00 1.30 H new ATOM 0 HE3 LYS A 46 8.295 5.957 5.636 1.00 1.30 H new ATOM 0 HZ1 LYS A 46 10.302 4.853 5.982 1.00 2.16 H new ATOM 0 HZ2 LYS A 46 9.959 4.571 4.343 1.00 2.16 H new ATOM 0 HZ3 LYS A 46 11.119 5.730 4.780 1.00 2.16 H new ATOM 773 N LYS A 47 9.763 3.848 0.465 1.00 0.27 N ATOM 774 CA LYS A 47 10.889 2.964 0.716 1.00 0.28 C ATOM 775 C LYS A 47 11.536 3.344 2.048 1.00 0.25 C ATOM 776 O LYS A 47 11.496 4.506 2.452 1.00 0.32 O ATOM 777 CB LYS A 47 11.887 3.083 -0.440 1.00 0.37 C ATOM 778 CG LYS A 47 12.361 1.753 -1.008 1.00 0.41 C ATOM 779 CD LYS A 47 13.504 1.165 -0.202 1.00 0.36 C ATOM 780 CE LYS A 47 14.030 -0.105 -0.846 1.00 0.52 C ATOM 781 NZ LYS A 47 15.316 -0.550 -0.250 1.00 0.39 N ATOM 0 H LYS A 47 9.994 4.671 -0.091 1.00 0.27 H new ATOM 0 HA LYS A 47 10.556 1.928 0.778 1.00 0.28 H new ATOM 0 HB2 LYS A 47 11.427 3.662 -1.241 1.00 0.37 H new ATOM 0 HB3 LYS A 47 12.755 3.646 -0.097 1.00 0.37 H new ATOM 0 HG2 LYS A 47 11.529 1.049 -1.024 1.00 0.41 H new ATOM 0 HG3 LYS A 47 12.680 1.893 -2.041 1.00 0.41 H new ATOM 0 HD2 LYS A 47 14.309 1.895 -0.120 1.00 0.36 H new ATOM 0 HD3 LYS A 47 13.165 0.949 0.811 1.00 0.36 H new ATOM 0 HE2 LYS A 47 13.289 -0.897 -0.739 1.00 0.52 H new ATOM 0 HE3 LYS A 47 14.166 0.062 -1.915 1.00 0.52 H new ATOM 0 HZ1 LYS A 47 15.482 -1.548 -0.489 1.00 0.39 H new ATOM 0 HZ2 LYS A 47 16.092 0.030 -0.627 1.00 0.39 H new ATOM 0 HZ3 LYS A 47 15.275 -0.444 0.784 1.00 0.39 H new ATOM 795 N TYR A 48 12.107 2.371 2.739 1.00 0.22 N ATOM 796 CA TYR A 48 12.668 2.605 4.064 1.00 0.22 C ATOM 797 C TYR A 48 14.029 3.292 3.967 1.00 0.27 C ATOM 798 O TYR A 48 14.235 4.366 4.525 1.00 0.32 O ATOM 799 CB TYR A 48 12.799 1.270 4.805 1.00 0.23 C ATOM 800 CG TYR A 48 13.220 1.403 6.252 1.00 0.30 C ATOM 801 CD1 TYR A 48 12.303 1.761 7.232 1.00 1.15 C ATOM 802 CD2 TYR A 48 14.534 1.167 6.638 1.00 1.16 C ATOM 803 CE1 TYR A 48 12.685 1.881 8.555 1.00 1.17 C ATOM 804 CE2 TYR A 48 14.923 1.285 7.958 1.00 1.25 C ATOM 805 CZ TYR A 48 13.996 1.642 8.913 1.00 0.58 C ATOM 806 OH TYR A 48 14.382 1.762 10.230 1.00 0.74 O ATOM 0 H TYR A 48 12.195 1.411 2.406 1.00 0.22 H new ATOM 0 HA TYR A 48 11.999 3.264 4.617 1.00 0.22 H new ATOM 0 HB2 TYR A 48 11.843 0.748 4.763 1.00 0.23 H new ATOM 0 HB3 TYR A 48 13.525 0.647 4.283 1.00 0.23 H new ATOM 0 HD1 TYR A 48 11.276 1.948 6.956 1.00 1.15 H new ATOM 0 HD2 TYR A 48 15.264 0.886 5.893 1.00 1.16 H new ATOM 0 HE1 TYR A 48 11.960 2.161 9.305 1.00 1.17 H new ATOM 0 HE2 TYR A 48 15.949 1.098 8.240 1.00 1.25 H new ATOM 0 HH TYR A 48 15.337 1.558 10.311 1.00 0.74 H new ATOM 816 N LYS A 49 14.933 2.658 3.234 1.00 0.33 N ATOM 817 CA LYS A 49 16.324 3.096 3.127 1.00 0.49 C ATOM 818 C LYS A 49 16.486 4.553 2.643 1.00 0.57 C ATOM 819 O LYS A 49 17.038 5.378 3.370 1.00 0.64 O ATOM 820 CB LYS A 49 17.074 2.142 2.196 1.00 0.63 C ATOM 821 CG LYS A 49 18.574 2.365 2.149 1.00 0.91 C ATOM 822 CD LYS A 49 19.234 2.053 3.479 1.00 2.03 C ATOM 823 CE LYS A 49 20.746 2.161 3.377 1.00 2.39 C ATOM 824 NZ LYS A 49 21.308 1.195 2.396 1.00 2.86 N ATOM 0 H LYS A 49 14.724 1.820 2.692 1.00 0.33 H new ATOM 0 HA LYS A 49 16.745 3.072 4.132 1.00 0.49 H new ATOM 0 HB2 LYS A 49 16.881 1.117 2.513 1.00 0.63 H new ATOM 0 HB3 LYS A 49 16.671 2.245 1.188 1.00 0.63 H new ATOM 0 HG2 LYS A 49 19.010 1.738 1.371 1.00 0.91 H new ATOM 0 HG3 LYS A 49 18.779 3.400 1.876 1.00 0.91 H new ATOM 0 HD2 LYS A 49 18.868 2.741 4.241 1.00 2.03 H new ATOM 0 HD3 LYS A 49 18.959 1.048 3.798 1.00 2.03 H new ATOM 0 HE2 LYS A 49 21.018 3.175 3.084 1.00 2.39 H new ATOM 0 HE3 LYS A 49 21.189 1.982 4.357 1.00 2.39 H new ATOM 0 HZ1 LYS A 49 22.324 1.066 2.578 1.00 2.86 H new ATOM 0 HZ2 LYS A 49 20.821 0.281 2.490 1.00 2.86 H new ATOM 0 HZ3 LYS A 49 21.173 1.561 1.432 1.00 2.86 H new ATOM 838 N PRO A 50 16.010 4.905 1.423 1.00 0.64 N ATOM 839 CA PRO A 50 16.300 6.215 0.821 1.00 0.86 C ATOM 840 C PRO A 50 15.540 7.372 1.463 1.00 0.91 C ATOM 841 O PRO A 50 15.726 8.530 1.080 1.00 1.81 O ATOM 842 CB PRO A 50 15.875 6.039 -0.637 1.00 1.03 C ATOM 843 CG PRO A 50 14.816 4.997 -0.600 1.00 0.79 C ATOM 844 CD PRO A 50 15.166 4.078 0.538 1.00 0.59 C ATOM 0 HA PRO A 50 17.348 6.482 0.954 1.00 0.86 H new ATOM 0 HB2 PRO A 50 15.497 6.972 -1.054 1.00 1.03 H new ATOM 0 HB3 PRO A 50 16.714 5.728 -1.259 1.00 1.03 H new ATOM 0 HG2 PRO A 50 13.834 5.446 -0.449 1.00 0.79 H new ATOM 0 HG3 PRO A 50 14.775 4.451 -1.542 1.00 0.79 H new ATOM 0 HD2 PRO A 50 14.273 3.725 1.054 1.00 0.59 H new ATOM 0 HD3 PRO A 50 15.701 3.196 0.187 1.00 0.59 H new ATOM 852 N HIS A 51 14.687 7.066 2.432 1.00 0.98 N ATOM 853 CA HIS A 51 13.935 8.099 3.128 1.00 1.17 C ATOM 854 C HIS A 51 13.295 7.532 4.390 1.00 1.76 C ATOM 855 O HIS A 51 12.111 7.196 4.404 1.00 2.56 O ATOM 856 CB HIS A 51 12.862 8.703 2.213 1.00 2.12 C ATOM 857 CG HIS A 51 12.375 10.045 2.670 1.00 2.93 C ATOM 858 ND1 HIS A 51 11.062 10.447 2.583 1.00 3.83 N ATOM 859 CD2 HIS A 51 13.050 11.092 3.199 1.00 3.56 C ATOM 860 CE1 HIS A 51 10.951 11.684 3.035 1.00 4.69 C ATOM 861 NE2 HIS A 51 12.144 12.097 3.417 1.00 4.56 N ATOM 0 H HIS A 51 14.500 6.116 2.752 1.00 0.98 H new ATOM 0 HA HIS A 51 14.628 8.891 3.412 1.00 1.17 H new ATOM 0 HB2 HIS A 51 13.265 8.795 1.205 1.00 2.12 H new ATOM 0 HB3 HIS A 51 12.016 8.018 2.156 1.00 2.12 H new ATOM 0 HD2 HIS A 51 14.108 11.129 3.411 1.00 3.56 H new ATOM 0 HE1 HIS A 51 10.038 12.259 3.083 1.00 4.69 H new ATOM 0 HE2 HIS A 51 12.357 13.014 3.810 1.00 4.56 H new ATOM 870 N GLY A 52 14.093 7.392 5.436 1.00 2.14 N ATOM 871 CA GLY A 52 13.590 6.879 6.694 1.00 3.14 C ATOM 872 C GLY A 52 13.352 7.979 7.703 1.00 2.89 C ATOM 873 O GLY A 52 14.221 8.289 8.519 1.00 3.06 O ATOM 0 H GLY A 52 15.086 7.626 5.437 1.00 2.14 H new ATOM 0 HA2 GLY A 52 12.658 6.341 6.519 1.00 3.14 H new ATOM 0 HA3 GLY A 52 14.301 6.161 7.102 1.00 3.14 H new ATOM 877 N VAL A 53 12.176 8.578 7.638 1.00 2.85 N ATOM 878 CA VAL A 53 11.819 9.673 8.526 1.00 2.75 C ATOM 879 C VAL A 53 10.305 9.737 8.695 1.00 2.07 C ATOM 880 O VAL A 53 9.554 9.370 7.788 1.00 1.96 O ATOM 881 CB VAL A 53 12.354 11.025 7.986 1.00 3.40 C ATOM 882 CG1 VAL A 53 11.699 11.384 6.662 1.00 3.54 C ATOM 883 CG2 VAL A 53 12.158 12.139 9.003 1.00 3.58 C ATOM 0 H VAL A 53 11.445 8.322 6.974 1.00 2.85 H new ATOM 0 HA VAL A 53 12.280 9.489 9.497 1.00 2.75 H new ATOM 0 HB VAL A 53 13.424 10.910 7.814 1.00 3.40 H new ATOM 0 HG11 VAL A 53 12.093 12.336 6.307 1.00 3.54 H new ATOM 0 HG12 VAL A 53 11.912 10.607 5.928 1.00 3.54 H new ATOM 0 HG13 VAL A 53 10.621 11.466 6.800 1.00 3.54 H new ATOM 0 HG21 VAL A 53 12.542 13.074 8.597 1.00 3.58 H new ATOM 0 HG22 VAL A 53 11.096 12.248 9.223 1.00 3.58 H new ATOM 0 HG23 VAL A 53 12.695 11.894 9.919 1.00 3.58 H new ATOM 893 N CYS A 54 9.864 10.170 9.866 1.00 1.91 N ATOM 894 CA CYS A 54 8.446 10.325 10.131 1.00 1.51 C ATOM 895 C CYS A 54 7.963 11.669 9.599 1.00 2.04 C ATOM 896 O CYS A 54 7.238 11.679 8.578 1.00 2.71 O ATOM 897 CB CYS A 54 8.149 10.196 11.630 1.00 1.90 C ATOM 898 SG CYS A 54 6.406 10.400 12.061 1.00 2.87 S ATOM 899 OXT CYS A 54 8.343 12.709 10.178 1.00 2.46 O ATOM 0 H CYS A 54 10.470 10.420 10.647 1.00 1.91 H new ATOM 0 HA CYS A 54 7.908 9.528 9.617 1.00 1.51 H new ATOM 0 HB2 CYS A 54 8.484 9.217 11.972 1.00 1.90 H new ATOM 0 HB3 CYS A 54 8.735 10.940 12.170 1.00 1.90 H new ATOM 0 HG CYS A 54 6.259 10.272 13.346 1.00 2.87 H new TER 905 CYS A 54 ATOM 906 N MET B 1 7.986 5.373 14.660 1.00 2.43 N ATOM 907 CA MET B 1 8.249 5.769 13.259 1.00 1.54 C ATOM 908 C MET B 1 6.940 5.955 12.507 1.00 1.28 C ATOM 909 O MET B 1 5.993 5.205 12.723 1.00 1.95 O ATOM 910 CB MET B 1 9.091 4.711 12.534 1.00 1.98 C ATOM 911 CG MET B 1 10.523 4.588 13.033 1.00 2.66 C ATOM 912 SD MET B 1 10.636 3.946 14.716 1.00 3.87 S ATOM 913 CE MET B 1 12.413 3.835 14.908 1.00 4.74 C ATOM 0 H1 MET B 1 8.724 4.714 14.979 1.00 2.43 H new ATOM 0 H2 MET B 1 7.991 6.218 15.266 1.00 2.43 H new ATOM 0 H3 MET B 1 7.057 4.909 14.721 1.00 2.43 H new ATOM 0 HA MET B 1 8.800 6.709 13.281 1.00 1.54 H new ATOM 0 HB2 MET B 1 8.600 3.743 12.636 1.00 1.98 H new ATOM 0 HB3 MET B 1 9.110 4.948 11.470 1.00 1.98 H new ATOM 0 HG2 MET B 1 11.080 3.933 12.363 1.00 2.66 H new ATOM 0 HG3 MET B 1 11.001 5.567 12.991 1.00 2.66 H new ATOM 0 HE1 MET B 1 12.648 3.453 15.901 1.00 4.74 H new ATOM 0 HE2 MET B 1 12.819 3.161 14.154 1.00 4.74 H new ATOM 0 HE3 MET B 1 12.855 4.824 14.786 1.00 4.74 H new ATOM 925 N LYS B 2 6.893 6.975 11.646 1.00 0.96 N ATOM 926 CA LYS B 2 5.755 7.210 10.751 1.00 0.62 C ATOM 927 C LYS B 2 4.420 7.265 11.496 1.00 0.56 C ATOM 928 O LYS B 2 4.371 7.483 12.709 1.00 0.73 O ATOM 929 CB LYS B 2 5.699 6.130 9.659 1.00 0.60 C ATOM 930 CG LYS B 2 6.873 6.163 8.686 1.00 0.66 C ATOM 931 CD LYS B 2 6.662 7.141 7.529 1.00 0.87 C ATOM 932 CE LYS B 2 6.518 8.578 8.005 1.00 1.74 C ATOM 933 NZ LYS B 2 6.581 9.561 6.888 1.00 2.31 N ATOM 0 H LYS B 2 7.642 7.661 11.549 1.00 0.96 H new ATOM 0 HA LYS B 2 5.912 8.187 10.294 1.00 0.62 H new ATOM 0 HB2 LYS B 2 5.663 5.150 10.135 1.00 0.60 H new ATOM 0 HB3 LYS B 2 4.772 6.245 9.097 1.00 0.60 H new ATOM 0 HG2 LYS B 2 7.778 6.438 9.227 1.00 0.66 H new ATOM 0 HG3 LYS B 2 7.033 5.162 8.284 1.00 0.66 H new ATOM 0 HD2 LYS B 2 7.504 7.072 6.840 1.00 0.87 H new ATOM 0 HD3 LYS B 2 5.770 6.854 6.972 1.00 0.87 H new ATOM 0 HE2 LYS B 2 5.569 8.690 8.529 1.00 1.74 H new ATOM 0 HE3 LYS B 2 7.307 8.799 8.724 1.00 1.74 H new ATOM 0 HZ1 LYS B 2 6.818 10.501 7.266 1.00 2.31 H new ATOM 0 HZ2 LYS B 2 7.311 9.267 6.208 1.00 2.31 H new ATOM 0 HZ3 LYS B 2 5.659 9.602 6.410 1.00 2.31 H new ATOM 947 N SER B 3 3.342 7.097 10.743 1.00 0.42 N ATOM 948 CA SER B 3 2.003 7.072 11.305 1.00 0.40 C ATOM 949 C SER B 3 1.660 5.652 11.735 1.00 0.37 C ATOM 950 O SER B 3 1.014 5.428 12.757 1.00 0.50 O ATOM 951 CB SER B 3 1.000 7.580 10.265 1.00 0.39 C ATOM 952 OG SER B 3 -0.300 7.708 10.805 1.00 1.00 O ATOM 0 H SER B 3 3.372 6.975 9.731 1.00 0.42 H new ATOM 0 HA SER B 3 1.956 7.722 12.178 1.00 0.40 H new ATOM 0 HB2 SER B 3 1.331 8.546 9.883 1.00 0.39 H new ATOM 0 HB3 SER B 3 0.976 6.894 9.419 1.00 0.39 H new ATOM 0 HG SER B 3 -0.885 8.144 10.151 1.00 1.00 H new ATOM 958 N ILE B 4 2.122 4.691 10.948 1.00 0.27 N ATOM 959 CA ILE B 4 1.914 3.288 11.258 1.00 0.24 C ATOM 960 C ILE B 4 3.197 2.702 11.830 1.00 0.26 C ATOM 961 O ILE B 4 3.189 2.009 12.847 1.00 0.32 O ATOM 962 CB ILE B 4 1.506 2.493 10.003 1.00 0.22 C ATOM 963 CG1 ILE B 4 0.528 3.312 9.152 1.00 0.27 C ATOM 964 CG2 ILE B 4 0.879 1.166 10.408 1.00 0.23 C ATOM 965 CD1 ILE B 4 0.095 2.620 7.877 1.00 0.23 C ATOM 0 H ILE B 4 2.644 4.860 10.088 1.00 0.27 H new ATOM 0 HA ILE B 4 1.107 3.215 11.987 1.00 0.24 H new ATOM 0 HB ILE B 4 2.396 2.291 9.407 1.00 0.22 H new ATOM 0 HG12 ILE B 4 -0.356 3.539 9.749 1.00 0.27 H new ATOM 0 HG13 ILE B 4 0.993 4.264 8.897 1.00 0.27 H new ATOM 0 HG21 ILE B 4 0.594 0.611 9.515 1.00 0.23 H new ATOM 0 HG22 ILE B 4 1.599 0.584 10.983 1.00 0.23 H new ATOM 0 HG23 ILE B 4 -0.005 1.352 11.017 1.00 0.23 H new ATOM 0 HD11 ILE B 4 -0.596 3.263 7.331 1.00 0.23 H new ATOM 0 HD12 ILE B 4 0.969 2.418 7.258 1.00 0.23 H new ATOM 0 HD13 ILE B 4 -0.401 1.681 8.123 1.00 0.23 H new ATOM 977 N GLY B 5 4.302 2.997 11.157 1.00 0.27 N ATOM 978 CA GLY B 5 5.603 2.584 11.635 1.00 0.32 C ATOM 979 C GLY B 5 5.906 1.146 11.310 1.00 0.31 C ATOM 980 O GLY B 5 6.632 0.475 12.041 1.00 0.43 O ATOM 0 H GLY B 5 4.317 3.520 10.281 1.00 0.27 H new ATOM 0 HA2 GLY B 5 6.368 3.222 11.193 1.00 0.32 H new ATOM 0 HA3 GLY B 5 5.652 2.728 12.714 1.00 0.32 H new ATOM 984 N VAL B 6 5.340 0.659 10.223 1.00 0.20 N ATOM 985 CA VAL B 6 5.621 -0.692 9.791 1.00 0.16 C ATOM 986 C VAL B 6 6.086 -0.707 8.347 1.00 0.12 C ATOM 987 O VAL B 6 5.479 -0.086 7.470 1.00 0.13 O ATOM 988 CB VAL B 6 4.409 -1.639 9.966 1.00 0.19 C ATOM 989 CG1 VAL B 6 4.109 -1.859 11.441 1.00 0.25 C ATOM 990 CG2 VAL B 6 3.182 -1.097 9.252 1.00 0.22 C ATOM 0 H VAL B 6 4.690 1.174 9.629 1.00 0.20 H new ATOM 0 HA VAL B 6 6.419 -1.064 10.433 1.00 0.16 H new ATOM 0 HB VAL B 6 4.667 -2.598 9.516 1.00 0.19 H new ATOM 0 HG11 VAL B 6 3.254 -2.527 11.543 1.00 0.25 H new ATOM 0 HG12 VAL B 6 4.977 -2.304 11.926 1.00 0.25 H new ATOM 0 HG13 VAL B 6 3.880 -0.903 11.912 1.00 0.25 H new ATOM 0 HG21 VAL B 6 2.347 -1.783 9.392 1.00 0.22 H new ATOM 0 HG22 VAL B 6 2.923 -0.121 9.663 1.00 0.22 H new ATOM 0 HG23 VAL B 6 3.395 -0.997 8.188 1.00 0.22 H new ATOM 1000 N VAL B 7 7.178 -1.407 8.116 1.00 0.12 N ATOM 1001 CA VAL B 7 7.702 -1.581 6.780 1.00 0.12 C ATOM 1002 C VAL B 7 7.459 -3.015 6.330 1.00 0.12 C ATOM 1003 O VAL B 7 7.524 -3.950 7.135 1.00 0.15 O ATOM 1004 CB VAL B 7 9.210 -1.233 6.715 1.00 0.13 C ATOM 1005 CG1 VAL B 7 10.037 -2.173 7.578 1.00 0.16 C ATOM 1006 CG2 VAL B 7 9.699 -1.242 5.280 1.00 0.15 C ATOM 0 H VAL B 7 7.723 -1.868 8.845 1.00 0.12 H new ATOM 0 HA VAL B 7 7.185 -0.897 6.108 1.00 0.12 H new ATOM 0 HB VAL B 7 9.337 -0.227 7.115 1.00 0.13 H new ATOM 0 HG11 VAL B 7 11.090 -1.899 7.508 1.00 0.16 H new ATOM 0 HG12 VAL B 7 9.710 -2.097 8.615 1.00 0.16 H new ATOM 0 HG13 VAL B 7 9.905 -3.197 7.230 1.00 0.16 H new ATOM 0 HG21 VAL B 7 10.760 -0.995 5.256 1.00 0.15 H new ATOM 0 HG22 VAL B 7 9.547 -2.232 4.850 1.00 0.15 H new ATOM 0 HG23 VAL B 7 9.142 -0.505 4.701 1.00 0.15 H new ATOM 1016 N ARG B 8 7.150 -3.184 5.062 1.00 0.12 N ATOM 1017 CA ARG B 8 6.812 -4.487 4.530 1.00 0.13 C ATOM 1018 C ARG B 8 7.884 -4.967 3.587 1.00 0.13 C ATOM 1019 O ARG B 8 8.696 -4.180 3.100 1.00 0.16 O ATOM 1020 CB ARG B 8 5.457 -4.446 3.821 1.00 0.15 C ATOM 1021 CG ARG B 8 4.330 -5.052 4.639 1.00 0.30 C ATOM 1022 CD ARG B 8 4.351 -4.536 6.069 1.00 0.18 C ATOM 1023 NE ARG B 8 3.264 -5.083 6.876 1.00 0.55 N ATOM 1024 CZ ARG B 8 3.411 -5.516 8.127 1.00 0.50 C ATOM 1025 NH1 ARG B 8 4.604 -5.490 8.709 1.00 0.55 N ATOM 1026 NH2 ARG B 8 2.362 -5.977 8.799 1.00 1.09 N ATOM 0 H ARG B 8 7.126 -2.429 4.376 1.00 0.12 H new ATOM 0 HA ARG B 8 6.743 -5.188 5.362 1.00 0.13 H new ATOM 0 HB2 ARG B 8 5.209 -3.411 3.586 1.00 0.15 H new ATOM 0 HB3 ARG B 8 5.535 -4.978 2.873 1.00 0.15 H new ATOM 0 HG2 ARG B 8 3.372 -4.813 4.177 1.00 0.30 H new ATOM 0 HG3 ARG B 8 4.421 -6.138 4.640 1.00 0.30 H new ATOM 0 HD2 ARG B 8 5.305 -4.791 6.530 1.00 0.18 H new ATOM 0 HD3 ARG B 8 4.281 -3.448 6.061 1.00 0.18 H new ATOM 0 HE ARG B 8 2.336 -5.137 6.456 1.00 0.55 H new ATOM 0 HH11 ARG B 8 5.413 -5.137 8.198 1.00 0.55 H new ATOM 0 HH12 ARG B 8 4.711 -5.823 9.667 1.00 0.55 H new ATOM 0 HH21 ARG B 8 1.443 -6.000 8.357 1.00 1.09 H new ATOM 0 HH22 ARG B 8 2.476 -6.308 9.757 1.00 1.09 H new ATOM 1040 N LYS B 9 7.892 -6.259 3.350 1.00 0.13 N ATOM 1041 CA LYS B 9 8.870 -6.867 2.480 1.00 0.14 C ATOM 1042 C LYS B 9 8.143 -7.613 1.377 1.00 0.17 C ATOM 1043 O LYS B 9 7.393 -8.553 1.650 1.00 0.21 O ATOM 1044 CB LYS B 9 9.775 -7.818 3.277 1.00 0.19 C ATOM 1045 CG LYS B 9 10.365 -7.188 4.536 1.00 0.54 C ATOM 1046 CD LYS B 9 11.215 -5.967 4.214 1.00 0.26 C ATOM 1047 CE LYS B 9 11.709 -5.268 5.467 1.00 0.79 C ATOM 1048 NZ LYS B 9 12.624 -6.124 6.267 1.00 1.16 N ATOM 0 H LYS B 9 7.223 -6.915 3.754 1.00 0.13 H new ATOM 0 HA LYS B 9 9.504 -6.097 2.039 1.00 0.14 H new ATOM 0 HB2 LYS B 9 9.202 -8.702 3.557 1.00 0.19 H new ATOM 0 HB3 LYS B 9 10.588 -8.156 2.635 1.00 0.19 H new ATOM 0 HG2 LYS B 9 9.558 -6.901 5.211 1.00 0.54 H new ATOM 0 HG3 LYS B 9 10.973 -7.925 5.061 1.00 0.54 H new ATOM 0 HD2 LYS B 9 12.069 -6.270 3.608 1.00 0.26 H new ATOM 0 HD3 LYS B 9 10.632 -5.267 3.615 1.00 0.26 H new ATOM 0 HE2 LYS B 9 12.225 -4.349 5.188 1.00 0.79 H new ATOM 0 HE3 LYS B 9 10.855 -4.980 6.080 1.00 0.79 H new ATOM 0 HZ1 LYS B 9 13.002 -5.576 7.066 1.00 1.16 H new ATOM 0 HZ2 LYS B 9 12.102 -6.948 6.628 1.00 1.16 H new ATOM 0 HZ3 LYS B 9 13.410 -6.448 5.667 1.00 1.16 H new ATOM 1062 N VAL B 10 8.337 -7.160 0.146 1.00 0.16 N ATOM 1063 CA VAL B 10 7.674 -7.743 -1.007 1.00 0.18 C ATOM 1064 C VAL B 10 7.898 -9.253 -1.068 1.00 0.20 C ATOM 1065 O VAL B 10 8.953 -9.758 -0.694 1.00 0.25 O ATOM 1066 CB VAL B 10 8.133 -7.050 -2.323 1.00 0.18 C ATOM 1067 CG1 VAL B 10 7.868 -7.920 -3.536 1.00 0.20 C ATOM 1068 CG2 VAL B 10 7.424 -5.717 -2.485 1.00 0.16 C ATOM 0 H VAL B 10 8.956 -6.381 -0.079 1.00 0.16 H new ATOM 0 HA VAL B 10 6.603 -7.574 -0.898 1.00 0.18 H new ATOM 0 HB VAL B 10 9.209 -6.888 -2.253 1.00 0.18 H new ATOM 0 HG11 VAL B 10 8.202 -7.402 -4.435 1.00 0.20 H new ATOM 0 HG12 VAL B 10 8.411 -8.860 -3.436 1.00 0.20 H new ATOM 0 HG13 VAL B 10 6.800 -8.125 -3.611 1.00 0.20 H new ATOM 0 HG21 VAL B 10 7.752 -5.240 -3.409 1.00 0.16 H new ATOM 0 HG22 VAL B 10 6.347 -5.880 -2.524 1.00 0.16 H new ATOM 0 HG23 VAL B 10 7.663 -5.072 -1.639 1.00 0.16 H new ATOM 1078 N ASP B 11 6.856 -9.957 -1.473 1.00 0.18 N ATOM 1079 CA ASP B 11 6.905 -11.401 -1.644 1.00 0.20 C ATOM 1080 C ASP B 11 7.926 -11.763 -2.714 1.00 0.23 C ATOM 1081 O ASP B 11 9.063 -12.107 -2.406 1.00 0.26 O ATOM 1082 CB ASP B 11 5.513 -11.922 -2.023 1.00 0.23 C ATOM 1083 CG ASP B 11 5.484 -13.413 -2.272 1.00 0.40 C ATOM 1084 OD1 ASP B 11 5.502 -14.184 -1.291 1.00 1.22 O ATOM 1085 OD2 ASP B 11 5.424 -13.818 -3.447 1.00 1.14 O ATOM 0 H ASP B 11 5.950 -9.544 -1.693 1.00 0.18 H new ATOM 0 HA ASP B 11 7.210 -11.868 -0.707 1.00 0.20 H new ATOM 0 HB2 ASP B 11 4.811 -11.679 -1.225 1.00 0.23 H new ATOM 0 HB3 ASP B 11 5.169 -11.404 -2.918 1.00 0.23 H new ATOM 1090 N GLU B 12 7.496 -11.685 -3.966 1.00 0.24 N ATOM 1091 CA GLU B 12 8.384 -11.785 -5.121 1.00 0.28 C ATOM 1092 C GLU B 12 7.791 -10.956 -6.245 1.00 0.27 C ATOM 1093 O GLU B 12 8.489 -10.237 -6.957 1.00 0.34 O ATOM 1094 CB GLU B 12 8.559 -13.238 -5.593 1.00 0.35 C ATOM 1095 CG GLU B 12 9.103 -14.171 -4.528 1.00 0.40 C ATOM 1096 CD GLU B 12 9.493 -15.529 -5.071 1.00 0.48 C ATOM 1097 OE1 GLU B 12 10.658 -15.694 -5.487 1.00 1.17 O ATOM 1098 OE2 GLU B 12 8.644 -16.446 -5.066 1.00 1.22 O ATOM 0 H GLU B 12 6.516 -11.550 -4.213 1.00 0.24 H new ATOM 0 HA GLU B 12 9.370 -11.417 -4.835 1.00 0.28 H new ATOM 0 HB2 GLU B 12 7.596 -13.616 -5.936 1.00 0.35 H new ATOM 0 HB3 GLU B 12 9.231 -13.252 -6.451 1.00 0.35 H new ATOM 0 HG2 GLU B 12 9.973 -13.710 -4.060 1.00 0.40 H new ATOM 0 HG3 GLU B 12 8.352 -14.300 -3.749 1.00 0.40 H new ATOM 1105 N LEU B 13 6.476 -11.076 -6.376 1.00 0.26 N ATOM 1106 CA LEU B 13 5.705 -10.325 -7.355 1.00 0.26 C ATOM 1107 C LEU B 13 5.587 -8.861 -6.946 1.00 0.25 C ATOM 1108 O LEU B 13 5.608 -7.953 -7.781 1.00 0.39 O ATOM 1109 CB LEU B 13 4.299 -10.914 -7.439 1.00 0.32 C ATOM 1110 CG LEU B 13 4.221 -12.431 -7.592 1.00 0.32 C ATOM 1111 CD1 LEU B 13 2.792 -12.899 -7.361 1.00 0.90 C ATOM 1112 CD2 LEU B 13 4.712 -12.857 -8.967 1.00 0.79 C ATOM 0 H LEU B 13 5.912 -11.702 -5.801 1.00 0.26 H new ATOM 0 HA LEU B 13 6.214 -10.388 -8.317 1.00 0.26 H new ATOM 0 HB2 LEU B 13 3.752 -10.630 -6.540 1.00 0.32 H new ATOM 0 HB3 LEU B 13 3.784 -10.456 -8.283 1.00 0.32 H new ATOM 0 HG LEU B 13 4.867 -12.895 -6.847 1.00 0.32 H new ATOM 0 HD11 LEU B 13 2.742 -13.982 -7.471 1.00 0.90 H new ATOM 0 HD12 LEU B 13 2.476 -12.622 -6.355 1.00 0.90 H new ATOM 0 HD13 LEU B 13 2.133 -12.429 -8.091 1.00 0.90 H new ATOM 0 HD21 LEU B 13 4.648 -13.941 -9.056 1.00 0.79 H new ATOM 0 HD22 LEU B 13 4.093 -12.393 -9.734 1.00 0.79 H new ATOM 0 HD23 LEU B 13 5.747 -12.542 -9.097 1.00 0.79 H new ATOM 1124 N GLY B 14 5.462 -8.650 -5.646 1.00 0.15 N ATOM 1125 CA GLY B 14 5.178 -7.329 -5.119 1.00 0.13 C ATOM 1126 C GLY B 14 4.098 -7.386 -4.062 1.00 0.11 C ATOM 1127 O GLY B 14 3.730 -6.372 -3.476 1.00 0.12 O ATOM 0 H GLY B 14 5.553 -9.378 -4.937 1.00 0.15 H new ATOM 0 HA2 GLY B 14 6.086 -6.901 -4.693 1.00 0.13 H new ATOM 0 HA3 GLY B 14 4.864 -6.670 -5.929 1.00 0.13 H new ATOM 1131 N ARG B 15 3.588 -8.588 -3.825 1.00 0.11 N ATOM 1132 CA ARG B 15 2.588 -8.815 -2.791 1.00 0.11 C ATOM 1133 C ARG B 15 3.168 -8.529 -1.407 1.00 0.09 C ATOM 1134 O ARG B 15 4.256 -9.001 -1.082 1.00 0.12 O ATOM 1135 CB ARG B 15 2.096 -10.267 -2.837 1.00 0.14 C ATOM 1136 CG ARG B 15 1.453 -10.669 -4.157 1.00 0.17 C ATOM 1137 CD ARG B 15 0.692 -11.982 -4.034 1.00 0.29 C ATOM 1138 NE ARG B 15 -0.292 -11.954 -2.950 1.00 1.30 N ATOM 1139 CZ ARG B 15 -1.609 -11.817 -3.133 1.00 1.93 C ATOM 1140 NH1 ARG B 15 -2.106 -11.677 -4.355 1.00 1.94 N ATOM 1141 NH2 ARG B 15 -2.434 -11.816 -2.096 1.00 2.91 N ATOM 0 H ARG B 15 3.854 -9.427 -4.340 1.00 0.11 H new ATOM 0 HA ARG B 15 1.753 -8.139 -2.977 1.00 0.11 H new ATOM 0 HB2 ARG B 15 2.938 -10.930 -2.640 1.00 0.14 H new ATOM 0 HB3 ARG B 15 1.375 -10.420 -2.034 1.00 0.14 H new ATOM 0 HG2 ARG B 15 0.773 -9.883 -4.485 1.00 0.17 H new ATOM 0 HG3 ARG B 15 2.223 -10.764 -4.923 1.00 0.17 H new ATOM 0 HD2 ARG B 15 0.186 -12.196 -4.976 1.00 0.29 H new ATOM 0 HD3 ARG B 15 1.398 -12.794 -3.860 1.00 0.29 H new ATOM 0 HE ARG B 15 0.050 -12.045 -1.993 1.00 1.30 H new ATOM 0 HH11 ARG B 15 -1.482 -11.673 -5.162 1.00 1.94 H new ATOM 0 HH12 ARG B 15 -3.112 -11.573 -4.488 1.00 1.94 H new ATOM 0 HH21 ARG B 15 -2.065 -11.920 -1.151 1.00 2.91 H new ATOM 0 HH22 ARG B 15 -3.438 -11.711 -2.243 1.00 2.91 H new ATOM 1155 N ILE B 16 2.449 -7.752 -0.601 1.00 0.09 N ATOM 1156 CA ILE B 16 2.876 -7.472 0.771 1.00 0.09 C ATOM 1157 C ILE B 16 1.661 -7.523 1.697 1.00 0.09 C ATOM 1158 O ILE B 16 0.540 -7.768 1.248 1.00 0.11 O ATOM 1159 CB ILE B 16 3.604 -6.099 0.918 1.00 0.11 C ATOM 1160 CG1 ILE B 16 2.614 -4.963 1.195 1.00 0.11 C ATOM 1161 CG2 ILE B 16 4.443 -5.786 -0.316 1.00 0.16 C ATOM 1162 CD1 ILE B 16 3.221 -3.577 1.082 1.00 0.14 C ATOM 0 H ILE B 16 1.572 -7.306 -0.870 1.00 0.09 H new ATOM 0 HA ILE B 16 3.601 -8.237 1.048 1.00 0.09 H new ATOM 0 HB ILE B 16 4.272 -6.179 1.776 1.00 0.11 H new ATOM 0 HG12 ILE B 16 1.781 -5.042 0.497 1.00 0.11 H new ATOM 0 HG13 ILE B 16 2.203 -5.088 2.197 1.00 0.11 H new ATOM 0 HG21 ILE B 16 4.938 -4.824 -0.185 1.00 0.16 H new ATOM 0 HG22 ILE B 16 5.193 -6.565 -0.453 1.00 0.16 H new ATOM 0 HG23 ILE B 16 3.798 -5.745 -1.194 1.00 0.16 H new ATOM 0 HD11 ILE B 16 2.458 -2.827 1.292 1.00 0.14 H new ATOM 0 HD12 ILE B 16 4.035 -3.477 1.800 1.00 0.14 H new ATOM 0 HD13 ILE B 16 3.606 -3.430 0.073 1.00 0.14 H new ATOM 1174 N VAL B 17 1.876 -7.302 2.979 1.00 0.09 N ATOM 1175 CA VAL B 17 0.792 -7.358 3.943 1.00 0.10 C ATOM 1176 C VAL B 17 0.451 -5.963 4.453 1.00 0.11 C ATOM 1177 O VAL B 17 1.204 -5.363 5.218 1.00 0.16 O ATOM 1178 CB VAL B 17 1.119 -8.304 5.126 1.00 0.14 C ATOM 1179 CG1 VAL B 17 2.526 -8.070 5.656 1.00 0.18 C ATOM 1180 CG2 VAL B 17 0.093 -8.148 6.242 1.00 0.19 C ATOM 0 H VAL B 17 2.789 -7.082 3.378 1.00 0.09 H new ATOM 0 HA VAL B 17 -0.078 -7.765 3.428 1.00 0.10 H new ATOM 0 HB VAL B 17 1.071 -9.327 4.752 1.00 0.14 H new ATOM 0 HG11 VAL B 17 2.721 -8.751 6.485 1.00 0.18 H new ATOM 0 HG12 VAL B 17 3.249 -8.251 4.861 1.00 0.18 H new ATOM 0 HG13 VAL B 17 2.618 -7.041 6.003 1.00 0.18 H new ATOM 0 HG21 VAL B 17 0.342 -8.821 7.062 1.00 0.19 H new ATOM 0 HG22 VAL B 17 0.101 -7.119 6.602 1.00 0.19 H new ATOM 0 HG23 VAL B 17 -0.899 -8.392 5.861 1.00 0.19 H new ATOM 1190 N MET B 18 -0.671 -5.430 4.003 1.00 0.10 N ATOM 1191 CA MET B 18 -1.126 -4.146 4.494 1.00 0.11 C ATOM 1192 C MET B 18 -1.798 -4.346 5.844 1.00 0.10 C ATOM 1193 O MET B 18 -2.429 -5.375 6.084 1.00 0.15 O ATOM 1194 CB MET B 18 -2.080 -3.466 3.505 1.00 0.18 C ATOM 1195 CG MET B 18 -1.493 -3.285 2.113 1.00 0.29 C ATOM 1196 SD MET B 18 0.172 -2.599 2.132 1.00 0.94 S ATOM 1197 CE MET B 18 -0.120 -0.944 2.748 1.00 0.54 C ATOM 0 H MET B 18 -1.277 -5.863 3.306 1.00 0.10 H new ATOM 0 HA MET B 18 -0.265 -3.486 4.605 1.00 0.11 H new ATOM 0 HB2 MET B 18 -2.993 -4.057 3.430 1.00 0.18 H new ATOM 0 HB3 MET B 18 -2.363 -2.490 3.900 1.00 0.18 H new ATOM 0 HG2 MET B 18 -1.477 -4.249 1.604 1.00 0.29 H new ATOM 0 HG3 MET B 18 -2.143 -2.629 1.534 1.00 0.29 H new ATOM 0 HE1 MET B 18 0.678 -0.284 2.409 1.00 0.54 H new ATOM 0 HE2 MET B 18 -1.076 -0.580 2.373 1.00 0.54 H new ATOM 0 HE3 MET B 18 -0.140 -0.960 3.838 1.00 0.54 H new ATOM 1207 N PRO B 19 -1.668 -3.376 6.746 1.00 0.12 N ATOM 1208 CA PRO B 19 -2.099 -3.540 8.121 1.00 0.13 C ATOM 1209 C PRO B 19 -3.606 -3.410 8.300 1.00 0.13 C ATOM 1210 O PRO B 19 -4.316 -2.816 7.469 1.00 0.13 O ATOM 1211 CB PRO B 19 -1.368 -2.421 8.861 1.00 0.15 C ATOM 1212 CG PRO B 19 -1.082 -1.375 7.838 1.00 0.19 C ATOM 1213 CD PRO B 19 -1.107 -2.043 6.486 1.00 0.19 C ATOM 0 HA PRO B 19 -1.870 -4.539 8.492 1.00 0.13 H new ATOM 0 HB2 PRO B 19 -1.981 -2.021 9.668 1.00 0.15 H new ATOM 0 HB3 PRO B 19 -0.446 -2.788 9.313 1.00 0.15 H new ATOM 0 HG2 PRO B 19 -1.825 -0.579 7.886 1.00 0.19 H new ATOM 0 HG3 PRO B 19 -0.110 -0.916 8.021 1.00 0.19 H new ATOM 0 HD2 PRO B 19 -1.720 -1.485 5.779 1.00 0.19 H new ATOM 0 HD3 PRO B 19 -0.107 -2.110 6.057 1.00 0.19 H new ATOM 1221 N ILE B 20 -4.095 -3.969 9.395 1.00 0.15 N ATOM 1222 CA ILE B 20 -5.484 -3.797 9.773 1.00 0.16 C ATOM 1223 C ILE B 20 -5.790 -2.313 9.898 1.00 0.16 C ATOM 1224 O ILE B 20 -6.890 -1.874 9.610 1.00 0.17 O ATOM 1225 CB ILE B 20 -5.814 -4.519 11.099 1.00 0.18 C ATOM 1226 CG1 ILE B 20 -7.223 -4.152 11.578 1.00 0.20 C ATOM 1227 CG2 ILE B 20 -4.777 -4.190 12.165 1.00 0.18 C ATOM 1228 CD1 ILE B 20 -8.318 -4.593 10.635 1.00 0.22 C ATOM 0 H ILE B 20 -3.549 -4.545 10.036 1.00 0.15 H new ATOM 0 HA ILE B 20 -6.105 -4.243 8.996 1.00 0.16 H new ATOM 0 HB ILE B 20 -5.785 -5.594 10.919 1.00 0.18 H new ATOM 0 HG12 ILE B 20 -7.394 -4.603 12.556 1.00 0.20 H new ATOM 0 HG13 ILE B 20 -7.283 -3.072 11.710 1.00 0.20 H new ATOM 0 HG21 ILE B 20 -5.029 -4.709 13.090 1.00 0.18 H new ATOM 0 HG22 ILE B 20 -3.792 -4.511 11.826 1.00 0.18 H new ATOM 0 HG23 ILE B 20 -4.767 -3.115 12.343 1.00 0.18 H new ATOM 0 HD11 ILE B 20 -9.287 -4.299 11.039 1.00 0.22 H new ATOM 0 HD12 ILE B 20 -8.173 -4.122 9.663 1.00 0.22 H new ATOM 0 HD13 ILE B 20 -8.286 -5.677 10.521 1.00 0.22 H new ATOM 1240 N GLU B 21 -4.783 -1.547 10.286 1.00 0.16 N ATOM 1241 CA GLU B 21 -4.901 -0.100 10.397 1.00 0.16 C ATOM 1242 C GLU B 21 -5.279 0.529 9.058 1.00 0.16 C ATOM 1243 O GLU B 21 -5.899 1.584 9.021 1.00 0.18 O ATOM 1244 CB GLU B 21 -3.584 0.483 10.894 1.00 0.18 C ATOM 1245 CG GLU B 21 -3.088 -0.190 12.157 1.00 0.23 C ATOM 1246 CD GLU B 21 -4.069 -0.063 13.300 1.00 0.29 C ATOM 1247 OE1 GLU B 21 -4.157 1.032 13.894 1.00 1.06 O ATOM 1248 OE2 GLU B 21 -4.754 -1.059 13.610 1.00 1.07 O ATOM 0 H GLU B 21 -3.862 -1.909 10.533 1.00 0.16 H new ATOM 0 HA GLU B 21 -5.694 0.126 11.110 1.00 0.16 H new ATOM 0 HB2 GLU B 21 -2.830 0.383 10.114 1.00 0.18 H new ATOM 0 HB3 GLU B 21 -3.711 1.549 11.081 1.00 0.18 H new ATOM 0 HG2 GLU B 21 -2.904 -1.245 11.955 1.00 0.23 H new ATOM 0 HG3 GLU B 21 -2.134 0.250 12.449 1.00 0.23 H new ATOM 1255 N LEU B 22 -4.917 -0.134 7.963 1.00 0.14 N ATOM 1256 CA LEU B 22 -5.291 0.326 6.635 1.00 0.15 C ATOM 1257 C LEU B 22 -6.726 -0.073 6.363 1.00 0.15 C ATOM 1258 O LEU B 22 -7.509 0.686 5.794 1.00 0.17 O ATOM 1259 CB LEU B 22 -4.346 -0.263 5.572 1.00 0.15 C ATOM 1260 CG LEU B 22 -4.996 -0.620 4.227 1.00 0.19 C ATOM 1261 CD1 LEU B 22 -4.060 -0.286 3.078 1.00 0.24 C ATOM 1262 CD2 LEU B 22 -5.361 -2.100 4.187 1.00 0.18 C ATOM 0 H LEU B 22 -4.365 -0.992 7.972 1.00 0.14 H new ATOM 0 HA LEU B 22 -5.204 1.411 6.587 1.00 0.15 H new ATOM 0 HB2 LEU B 22 -3.544 0.453 5.389 1.00 0.15 H new ATOM 0 HB3 LEU B 22 -3.884 -1.161 5.981 1.00 0.15 H new ATOM 0 HG LEU B 22 -5.906 -0.030 4.121 1.00 0.19 H new ATOM 0 HD11 LEU B 22 -4.537 -0.546 2.133 1.00 0.24 H new ATOM 0 HD12 LEU B 22 -3.835 0.780 3.090 1.00 0.24 H new ATOM 0 HD13 LEU B 22 -3.135 -0.853 3.185 1.00 0.24 H new ATOM 0 HD21 LEU B 22 -5.820 -2.336 3.227 1.00 0.18 H new ATOM 0 HD22 LEU B 22 -4.460 -2.700 4.315 1.00 0.18 H new ATOM 0 HD23 LEU B 22 -6.063 -2.323 4.990 1.00 0.18 H new ATOM 1274 N ARG B 23 -7.064 -1.277 6.796 1.00 0.14 N ATOM 1275 CA ARG B 23 -8.434 -1.763 6.680 1.00 0.15 C ATOM 1276 C ARG B 23 -9.372 -0.946 7.572 1.00 0.19 C ATOM 1277 O ARG B 23 -10.559 -0.812 7.284 1.00 0.23 O ATOM 1278 CB ARG B 23 -8.513 -3.253 7.028 1.00 0.16 C ATOM 1279 CG ARG B 23 -7.615 -4.116 6.156 1.00 0.16 C ATOM 1280 CD ARG B 23 -7.994 -5.592 6.221 1.00 0.35 C ATOM 1281 NE ARG B 23 -7.788 -6.189 7.541 1.00 0.64 N ATOM 1282 CZ ARG B 23 -8.600 -7.109 8.071 1.00 0.58 C ATOM 1283 NH1 ARG B 23 -9.718 -7.453 7.443 1.00 0.73 N ATOM 1284 NH2 ARG B 23 -8.301 -7.680 9.230 1.00 1.30 N ATOM 0 H ARG B 23 -6.415 -1.934 7.229 1.00 0.14 H new ATOM 0 HA ARG B 23 -8.754 -1.640 5.645 1.00 0.15 H new ATOM 0 HB2 ARG B 23 -8.236 -3.391 8.073 1.00 0.16 H new ATOM 0 HB3 ARG B 23 -9.544 -3.590 6.924 1.00 0.16 H new ATOM 0 HG2 ARG B 23 -7.675 -3.772 5.123 1.00 0.16 H new ATOM 0 HG3 ARG B 23 -6.579 -3.994 6.472 1.00 0.16 H new ATOM 0 HD2 ARG B 23 -9.041 -5.703 5.940 1.00 0.35 H new ATOM 0 HD3 ARG B 23 -7.407 -6.143 5.486 1.00 0.35 H new ATOM 0 HE ARG B 23 -6.981 -5.887 8.086 1.00 0.64 H new ATOM 0 HH11 ARG B 23 -9.959 -7.015 6.554 1.00 0.73 H new ATOM 0 HH12 ARG B 23 -10.336 -8.155 7.850 1.00 0.73 H new ATOM 0 HH21 ARG B 23 -7.447 -7.418 9.722 1.00 1.30 H new ATOM 0 HH22 ARG B 23 -8.925 -8.381 9.629 1.00 1.30 H new ATOM 1298 N ARG B 24 -8.809 -0.393 8.639 1.00 0.18 N ATOM 1299 CA ARG B 24 -9.534 0.469 9.564 1.00 0.20 C ATOM 1300 C ARG B 24 -9.565 1.890 9.020 1.00 0.22 C ATOM 1301 O ARG B 24 -10.520 2.636 9.232 1.00 0.26 O ATOM 1302 CB ARG B 24 -8.845 0.460 10.936 1.00 0.22 C ATOM 1303 CG ARG B 24 -8.901 -0.881 11.649 1.00 0.24 C ATOM 1304 CD ARG B 24 -8.010 -0.903 12.885 1.00 0.27 C ATOM 1305 NE ARG B 24 -8.549 -0.099 13.984 1.00 0.41 N ATOM 1306 CZ ARG B 24 -7.899 0.147 15.125 1.00 0.67 C ATOM 1307 NH1 ARG B 24 -6.643 -0.250 15.287 1.00 0.79 N ATOM 1308 NH2 ARG B 24 -8.506 0.810 16.098 1.00 0.87 N ATOM 0 H ARG B 24 -7.830 -0.531 8.889 1.00 0.18 H new ATOM 0 HA ARG B 24 -10.553 0.099 9.672 1.00 0.20 H new ATOM 0 HB2 ARG B 24 -7.802 0.749 10.809 1.00 0.22 H new ATOM 0 HB3 ARG B 24 -9.310 1.216 11.569 1.00 0.22 H new ATOM 0 HG2 ARG B 24 -9.930 -1.096 11.939 1.00 0.24 H new ATOM 0 HG3 ARG B 24 -8.591 -1.670 10.964 1.00 0.24 H new ATOM 0 HD2 ARG B 24 -7.886 -1.933 13.220 1.00 0.27 H new ATOM 0 HD3 ARG B 24 -7.020 -0.532 12.621 1.00 0.27 H new ATOM 0 HE ARG B 24 -9.481 0.299 13.871 1.00 0.41 H new ATOM 0 HH11 ARG B 24 -6.165 -0.748 14.536 1.00 0.79 H new ATOM 0 HH12 ARG B 24 -6.156 -0.057 16.162 1.00 0.79 H new ATOM 0 HH21 ARG B 24 -9.466 1.131 15.975 1.00 0.87 H new ATOM 0 HH22 ARG B 24 -8.013 1.000 16.971 1.00 0.87 H new ATOM 1322 N ALA B 25 -8.497 2.246 8.313 1.00 0.20 N ATOM 1323 CA ALA B 25 -8.348 3.572 7.725 1.00 0.22 C ATOM 1324 C ALA B 25 -9.428 3.820 6.700 1.00 0.26 C ATOM 1325 O ALA B 25 -10.151 4.815 6.751 1.00 0.28 O ATOM 1326 CB ALA B 25 -6.992 3.671 7.044 1.00 0.23 C ATOM 0 H ALA B 25 -7.710 1.623 8.132 1.00 0.20 H new ATOM 0 HA ALA B 25 -8.429 4.316 8.517 1.00 0.22 H new ATOM 0 HB1 ALA B 25 -6.878 4.661 6.603 1.00 0.23 H new ATOM 0 HB2 ALA B 25 -6.203 3.507 7.778 1.00 0.23 H new ATOM 0 HB3 ALA B 25 -6.922 2.915 6.262 1.00 0.23 H new ATOM 1332 N LEU B 26 -9.533 2.886 5.780 1.00 0.28 N ATOM 1333 CA LEU B 26 -10.515 2.965 4.729 1.00 0.37 C ATOM 1334 C LEU B 26 -11.835 2.391 5.227 1.00 0.41 C ATOM 1335 O LEU B 26 -12.625 3.091 5.863 1.00 0.57 O ATOM 1336 CB LEU B 26 -10.018 2.214 3.496 1.00 0.35 C ATOM 1337 CG LEU B 26 -8.673 2.687 2.945 1.00 0.39 C ATOM 1338 CD1 LEU B 26 -8.156 1.728 1.885 1.00 0.40 C ATOM 1339 CD2 LEU B 26 -8.805 4.083 2.368 1.00 0.52 C ATOM 0 H LEU B 26 -8.942 2.056 5.742 1.00 0.28 H new ATOM 0 HA LEU B 26 -10.673 4.006 4.448 1.00 0.37 H new ATOM 0 HB2 LEU B 26 -9.940 1.155 3.742 1.00 0.35 H new ATOM 0 HB3 LEU B 26 -10.767 2.304 2.709 1.00 0.35 H new ATOM 0 HG LEU B 26 -7.956 2.710 3.766 1.00 0.39 H new ATOM 0 HD11 LEU B 26 -7.198 2.085 1.507 1.00 0.40 H new ATOM 0 HD12 LEU B 26 -8.028 0.738 2.322 1.00 0.40 H new ATOM 0 HD13 LEU B 26 -8.871 1.673 1.064 1.00 0.40 H new ATOM 0 HD21 LEU B 26 -7.840 4.409 1.979 1.00 0.52 H new ATOM 0 HD22 LEU B 26 -9.538 4.075 1.561 1.00 0.52 H new ATOM 0 HD23 LEU B 26 -9.132 4.770 3.149 1.00 0.52 H new ATOM 1351 N ASP B 27 -12.045 1.108 4.959 1.00 0.34 N ATOM 1352 CA ASP B 27 -13.235 0.389 5.411 1.00 0.42 C ATOM 1353 C ASP B 27 -13.213 -1.043 4.902 1.00 0.41 C ATOM 1354 O ASP B 27 -14.248 -1.601 4.533 1.00 0.76 O ATOM 1355 CB ASP B 27 -14.532 1.084 4.962 1.00 0.61 C ATOM 1356 CG ASP B 27 -14.522 1.537 3.516 1.00 0.68 C ATOM 1357 OD1 ASP B 27 -13.889 0.874 2.674 1.00 1.54 O ATOM 1358 OD2 ASP B 27 -15.174 2.563 3.215 1.00 1.34 O ATOM 0 H ASP B 27 -11.395 0.534 4.422 1.00 0.34 H new ATOM 0 HA ASP B 27 -13.218 0.387 6.501 1.00 0.42 H new ATOM 0 HB2 ASP B 27 -15.368 0.401 5.112 1.00 0.61 H new ATOM 0 HB3 ASP B 27 -14.708 1.949 5.601 1.00 0.61 H new ATOM 1363 N ILE B 28 -12.035 -1.650 4.929 1.00 0.22 N ATOM 1364 CA ILE B 28 -11.853 -2.976 4.358 1.00 0.18 C ATOM 1365 C ILE B 28 -12.330 -4.026 5.338 1.00 0.23 C ATOM 1366 O ILE B 28 -11.876 -4.077 6.482 1.00 0.31 O ATOM 1367 CB ILE B 28 -10.384 -3.276 3.966 1.00 0.16 C ATOM 1368 CG1 ILE B 28 -9.920 -2.430 2.771 1.00 0.14 C ATOM 1369 CG2 ILE B 28 -10.230 -4.751 3.629 1.00 0.18 C ATOM 1370 CD1 ILE B 28 -10.117 -0.955 2.949 1.00 0.17 C ATOM 0 H ILE B 28 -11.193 -1.246 5.339 1.00 0.22 H new ATOM 0 HA ILE B 28 -12.444 -3.004 3.442 1.00 0.18 H new ATOM 0 HB ILE B 28 -9.760 -3.018 4.822 1.00 0.16 H new ATOM 0 HG12 ILE B 28 -8.863 -2.625 2.591 1.00 0.14 H new ATOM 0 HG13 ILE B 28 -10.460 -2.752 1.881 1.00 0.14 H new ATOM 0 HG21 ILE B 28 -9.195 -4.955 3.354 1.00 0.18 H new ATOM 0 HG22 ILE B 28 -10.501 -5.353 4.497 1.00 0.18 H new ATOM 0 HG23 ILE B 28 -10.884 -5.004 2.794 1.00 0.18 H new ATOM 0 HD11 ILE B 28 -9.764 -0.431 2.061 1.00 0.17 H new ATOM 0 HD12 ILE B 28 -11.176 -0.745 3.097 1.00 0.17 H new ATOM 0 HD13 ILE B 28 -9.554 -0.615 3.819 1.00 0.17 H new ATOM 1382 N ALA B 29 -13.231 -4.869 4.884 1.00 0.24 N ATOM 1383 CA ALA B 29 -13.854 -5.839 5.756 1.00 0.28 C ATOM 1384 C ALA B 29 -13.077 -7.143 5.768 1.00 0.30 C ATOM 1385 O ALA B 29 -12.843 -7.732 6.821 1.00 0.41 O ATOM 1386 CB ALA B 29 -15.292 -6.064 5.335 1.00 0.29 C ATOM 0 H ALA B 29 -13.549 -4.902 3.915 1.00 0.24 H new ATOM 0 HA ALA B 29 -13.847 -5.447 6.773 1.00 0.28 H new ATOM 0 HB1 ALA B 29 -15.755 -6.796 5.997 1.00 0.29 H new ATOM 0 HB2 ALA B 29 -15.840 -5.124 5.395 1.00 0.29 H new ATOM 0 HB3 ALA B 29 -15.317 -6.434 4.310 1.00 0.29 H new ATOM 1392 N ILE B 30 -12.666 -7.576 4.593 1.00 0.26 N ATOM 1393 CA ILE B 30 -11.895 -8.804 4.459 1.00 0.27 C ATOM 1394 C ILE B 30 -11.163 -8.799 3.120 1.00 0.24 C ATOM 1395 O ILE B 30 -10.078 -9.348 2.996 1.00 0.24 O ATOM 1396 CB ILE B 30 -12.810 -10.054 4.616 1.00 0.30 C ATOM 1397 CG1 ILE B 30 -11.995 -11.357 4.742 1.00 0.34 C ATOM 1398 CG2 ILE B 30 -13.809 -10.145 3.471 1.00 0.28 C ATOM 1399 CD1 ILE B 30 -11.609 -11.999 3.425 1.00 0.34 C ATOM 0 H ILE B 30 -12.852 -7.097 3.712 1.00 0.26 H new ATOM 0 HA ILE B 30 -11.153 -8.855 5.256 1.00 0.27 H new ATOM 0 HB ILE B 30 -13.365 -9.931 5.546 1.00 0.30 H new ATOM 0 HG12 ILE B 30 -11.087 -11.147 5.307 1.00 0.34 H new ATOM 0 HG13 ILE B 30 -12.573 -12.075 5.324 1.00 0.34 H new ATOM 0 HG21 ILE B 30 -14.436 -11.027 3.604 1.00 0.28 H new ATOM 0 HG22 ILE B 30 -14.435 -9.253 3.462 1.00 0.28 H new ATOM 0 HG23 ILE B 30 -13.273 -10.221 2.525 1.00 0.28 H new ATOM 0 HD11 ILE B 30 -11.039 -12.908 3.617 1.00 0.34 H new ATOM 0 HD12 ILE B 30 -12.510 -12.247 2.863 1.00 0.34 H new ATOM 0 HD13 ILE B 30 -11.000 -11.304 2.846 1.00 0.34 H new ATOM 1411 N LYS B 31 -11.765 -8.149 2.134 1.00 0.21 N ATOM 1412 CA LYS B 31 -11.128 -7.927 0.846 1.00 0.19 C ATOM 1413 C LYS B 31 -11.325 -6.475 0.428 1.00 0.16 C ATOM 1414 O LYS B 31 -10.364 -5.761 0.141 1.00 0.15 O ATOM 1415 CB LYS B 31 -11.710 -8.863 -0.223 1.00 0.22 C ATOM 1416 CG LYS B 31 -11.708 -10.329 0.181 1.00 0.29 C ATOM 1417 CD LYS B 31 -11.891 -11.249 -1.015 1.00 0.37 C ATOM 1418 CE LYS B 31 -10.693 -11.188 -1.947 1.00 0.47 C ATOM 1419 NZ LYS B 31 -10.779 -12.202 -3.032 1.00 1.38 N ATOM 0 H LYS B 31 -12.706 -7.762 2.205 1.00 0.21 H new ATOM 0 HA LYS B 31 -10.064 -8.141 0.941 1.00 0.19 H new ATOM 0 HB2 LYS B 31 -12.733 -8.557 -0.443 1.00 0.22 H new ATOM 0 HB3 LYS B 31 -11.138 -8.748 -1.144 1.00 0.22 H new ATOM 0 HG2 LYS B 31 -10.769 -10.566 0.681 1.00 0.29 H new ATOM 0 HG3 LYS B 31 -12.506 -10.508 0.901 1.00 0.29 H new ATOM 0 HD2 LYS B 31 -12.034 -12.273 -0.670 1.00 0.37 H new ATOM 0 HD3 LYS B 31 -12.792 -10.967 -1.559 1.00 0.37 H new ATOM 0 HE2 LYS B 31 -10.625 -10.192 -2.386 1.00 0.47 H new ATOM 0 HE3 LYS B 31 -9.779 -11.347 -1.374 1.00 0.47 H new ATOM 0 HZ1 LYS B 31 -9.942 -12.126 -3.645 1.00 1.38 H new ATOM 0 HZ2 LYS B 31 -10.818 -13.154 -2.615 1.00 1.38 H new ATOM 0 HZ3 LYS B 31 -11.637 -12.036 -3.595 1.00 1.38 H new ATOM 1433 N ASP B 32 -12.586 -6.053 0.451 1.00 0.16 N ATOM 1434 CA ASP B 32 -13.000 -4.706 0.060 1.00 0.15 C ATOM 1435 C ASP B 32 -12.253 -4.162 -1.160 1.00 0.15 C ATOM 1436 O ASP B 32 -12.370 -4.723 -2.244 1.00 0.19 O ATOM 1437 CB ASP B 32 -12.924 -3.758 1.252 1.00 0.15 C ATOM 1438 CG ASP B 32 -14.285 -3.593 1.882 1.00 0.20 C ATOM 1439 OD1 ASP B 32 -14.698 -4.494 2.639 1.00 1.17 O ATOM 1440 OD2 ASP B 32 -14.963 -2.589 1.601 1.00 1.05 O ATOM 0 H ASP B 32 -13.362 -6.645 0.746 1.00 0.16 H new ATOM 0 HA ASP B 32 -14.040 -4.777 -0.259 1.00 0.15 H new ATOM 0 HB2 ASP B 32 -12.220 -4.146 1.988 1.00 0.15 H new ATOM 0 HB3 ASP B 32 -12.546 -2.788 0.929 1.00 0.15 H new ATOM 1445 N SER B 33 -11.508 -3.067 -1.002 1.00 0.14 N ATOM 1446 CA SER B 33 -10.830 -2.433 -2.139 1.00 0.14 C ATOM 1447 C SER B 33 -9.715 -1.497 -1.679 1.00 0.13 C ATOM 1448 O SER B 33 -9.909 -0.706 -0.758 1.00 0.15 O ATOM 1449 CB SER B 33 -11.825 -1.611 -2.967 1.00 0.18 C ATOM 1450 OG SER B 33 -12.917 -2.398 -3.412 1.00 0.24 O ATOM 0 H SER B 33 -11.358 -2.602 -0.107 1.00 0.14 H new ATOM 0 HA SER B 33 -10.404 -3.237 -2.740 1.00 0.14 H new ATOM 0 HB2 SER B 33 -12.197 -0.780 -2.368 1.00 0.18 H new ATOM 0 HB3 SER B 33 -11.313 -1.180 -3.827 1.00 0.18 H new ATOM 0 HG SER B 33 -12.685 -3.348 -3.344 1.00 0.24 H new ATOM 1456 N ILE B 34 -8.550 -1.587 -2.321 1.00 0.13 N ATOM 1457 CA ILE B 34 -7.480 -0.615 -2.112 1.00 0.13 C ATOM 1458 C ILE B 34 -6.840 -0.251 -3.447 1.00 0.13 C ATOM 1459 O ILE B 34 -6.076 -1.027 -4.007 1.00 0.14 O ATOM 1460 CB ILE B 34 -6.359 -1.113 -1.166 1.00 0.15 C ATOM 1461 CG1 ILE B 34 -6.922 -1.730 0.114 1.00 0.15 C ATOM 1462 CG2 ILE B 34 -5.430 0.035 -0.815 1.00 0.20 C ATOM 1463 CD1 ILE B 34 -7.177 -3.214 0.000 1.00 0.18 C ATOM 0 H ILE B 34 -8.325 -2.323 -2.990 1.00 0.13 H new ATOM 0 HA ILE B 34 -7.953 0.247 -1.642 1.00 0.13 H new ATOM 0 HB ILE B 34 -5.806 -1.890 -1.694 1.00 0.15 H new ATOM 0 HG12 ILE B 34 -6.225 -1.550 0.933 1.00 0.15 H new ATOM 0 HG13 ILE B 34 -7.854 -1.227 0.372 1.00 0.15 H new ATOM 0 HG21 ILE B 34 -4.644 -0.323 -0.150 1.00 0.20 H new ATOM 0 HG22 ILE B 34 -4.981 0.431 -1.726 1.00 0.20 H new ATOM 0 HG23 ILE B 34 -5.996 0.822 -0.317 1.00 0.20 H new ATOM 0 HD11 ILE B 34 -7.576 -3.588 0.943 1.00 0.18 H new ATOM 0 HD12 ILE B 34 -7.897 -3.399 -0.797 1.00 0.18 H new ATOM 0 HD13 ILE B 34 -6.243 -3.727 -0.228 1.00 0.18 H new ATOM 1475 N GLU B 35 -7.175 0.919 -3.956 1.00 0.13 N ATOM 1476 CA GLU B 35 -6.649 1.389 -5.230 1.00 0.14 C ATOM 1477 C GLU B 35 -5.475 2.324 -4.986 1.00 0.15 C ATOM 1478 O GLU B 35 -5.527 3.161 -4.082 1.00 0.20 O ATOM 1479 CB GLU B 35 -7.757 2.103 -6.007 1.00 0.19 C ATOM 1480 CG GLU B 35 -7.332 2.616 -7.373 1.00 0.28 C ATOM 1481 CD GLU B 35 -8.487 3.218 -8.147 1.00 0.51 C ATOM 1482 OE1 GLU B 35 -9.273 3.986 -7.546 1.00 1.33 O ATOM 1483 OE2 GLU B 35 -8.602 2.941 -9.357 1.00 1.12 O ATOM 0 H GLU B 35 -7.816 1.570 -3.503 1.00 0.13 H new ATOM 0 HA GLU B 35 -6.299 0.541 -5.819 1.00 0.14 H new ATOM 0 HB2 GLU B 35 -8.595 1.418 -6.134 1.00 0.19 H new ATOM 0 HB3 GLU B 35 -8.118 2.942 -5.413 1.00 0.19 H new ATOM 0 HG2 GLU B 35 -6.550 3.366 -7.250 1.00 0.28 H new ATOM 0 HG3 GLU B 35 -6.900 1.797 -7.948 1.00 0.28 H new ATOM 1490 N PHE B 36 -4.414 2.184 -5.775 1.00 0.15 N ATOM 1491 CA PHE B 36 -3.206 2.970 -5.508 1.00 0.17 C ATOM 1492 C PHE B 36 -2.907 3.997 -6.602 1.00 0.22 C ATOM 1493 O PHE B 36 -3.292 3.847 -7.765 1.00 0.28 O ATOM 1494 CB PHE B 36 -1.972 2.084 -5.292 1.00 0.22 C ATOM 1495 CG PHE B 36 -2.264 0.626 -5.108 1.00 0.19 C ATOM 1496 CD1 PHE B 36 -2.824 0.165 -3.931 1.00 1.21 C ATOM 1497 CD2 PHE B 36 -1.959 -0.281 -6.104 1.00 1.21 C ATOM 1498 CE1 PHE B 36 -3.077 -1.176 -3.752 1.00 1.27 C ATOM 1499 CE2 PHE B 36 -2.206 -1.626 -5.929 1.00 1.21 C ATOM 1500 CZ PHE B 36 -2.766 -2.072 -4.751 1.00 0.43 C ATOM 0 H PHE B 36 -4.360 1.558 -6.578 1.00 0.15 H new ATOM 0 HA PHE B 36 -3.420 3.510 -4.585 1.00 0.17 H new ATOM 0 HB2 PHE B 36 -1.305 2.201 -6.147 1.00 0.22 H new ATOM 0 HB3 PHE B 36 -1.433 2.445 -4.416 1.00 0.22 H new ATOM 0 HD1 PHE B 36 -3.065 0.864 -3.144 1.00 1.21 H new ATOM 0 HD2 PHE B 36 -1.523 0.067 -7.029 1.00 1.21 H new ATOM 0 HE1 PHE B 36 -3.518 -1.525 -2.830 1.00 1.27 H new ATOM 0 HE2 PHE B 36 -1.962 -2.328 -6.712 1.00 1.21 H new ATOM 0 HZ PHE B 36 -2.961 -3.125 -4.611 1.00 0.43 H new ATOM 1510 N PHE B 37 -2.196 5.039 -6.186 1.00 0.22 N ATOM 1511 CA PHE B 37 -1.759 6.128 -7.048 1.00 0.30 C ATOM 1512 C PHE B 37 -0.274 6.350 -6.815 1.00 0.25 C ATOM 1513 O PHE B 37 0.140 6.572 -5.689 1.00 0.45 O ATOM 1514 CB PHE B 37 -2.547 7.400 -6.689 1.00 0.48 C ATOM 1515 CG PHE B 37 -2.064 8.665 -7.352 1.00 0.65 C ATOM 1516 CD1 PHE B 37 -1.015 9.394 -6.810 1.00 1.67 C ATOM 1517 CD2 PHE B 37 -2.669 9.136 -8.502 1.00 1.24 C ATOM 1518 CE1 PHE B 37 -0.580 10.561 -7.404 1.00 2.10 C ATOM 1519 CE2 PHE B 37 -2.235 10.303 -9.102 1.00 1.64 C ATOM 1520 CZ PHE B 37 -1.191 11.016 -8.553 1.00 1.80 C ATOM 0 H PHE B 37 -1.901 5.151 -5.216 1.00 0.22 H new ATOM 0 HA PHE B 37 -1.936 5.887 -8.096 1.00 0.30 H new ATOM 0 HB2 PHE B 37 -3.593 7.247 -6.954 1.00 0.48 H new ATOM 0 HB3 PHE B 37 -2.509 7.538 -5.608 1.00 0.48 H new ATOM 0 HD1 PHE B 37 -0.532 9.043 -5.910 1.00 1.67 H new ATOM 0 HD2 PHE B 37 -3.490 8.586 -8.937 1.00 1.24 H new ATOM 0 HE1 PHE B 37 0.238 11.117 -6.970 1.00 2.10 H new ATOM 0 HE2 PHE B 37 -2.715 10.657 -10.003 1.00 1.64 H new ATOM 0 HZ PHE B 37 -0.853 11.928 -9.022 1.00 1.80 H new ATOM 1530 N VAL B 38 0.535 6.270 -7.852 1.00 0.24 N ATOM 1531 CA VAL B 38 1.955 6.494 -7.670 1.00 0.19 C ATOM 1532 C VAL B 38 2.309 7.952 -7.930 1.00 0.20 C ATOM 1533 O VAL B 38 1.863 8.556 -8.910 1.00 0.24 O ATOM 1534 CB VAL B 38 2.822 5.553 -8.534 1.00 0.23 C ATOM 1535 CG1 VAL B 38 2.493 5.676 -10.011 1.00 0.30 C ATOM 1536 CG2 VAL B 38 4.300 5.825 -8.289 1.00 0.25 C ATOM 0 H VAL B 38 0.244 6.057 -8.806 1.00 0.24 H new ATOM 0 HA VAL B 38 2.181 6.259 -6.630 1.00 0.19 H new ATOM 0 HB VAL B 38 2.595 4.529 -8.237 1.00 0.23 H new ATOM 0 HG11 VAL B 38 3.126 4.997 -10.582 1.00 0.30 H new ATOM 0 HG12 VAL B 38 1.446 5.419 -10.173 1.00 0.30 H new ATOM 0 HG13 VAL B 38 2.671 6.700 -10.339 1.00 0.30 H new ATOM 0 HG21 VAL B 38 4.900 5.155 -8.904 1.00 0.25 H new ATOM 0 HG22 VAL B 38 4.528 6.859 -8.550 1.00 0.25 H new ATOM 0 HG23 VAL B 38 4.531 5.657 -7.237 1.00 0.25 H new ATOM 1546 N ASP B 39 3.098 8.511 -7.029 1.00 0.20 N ATOM 1547 CA ASP B 39 3.455 9.922 -7.080 1.00 0.26 C ATOM 1548 C ASP B 39 4.952 10.085 -6.893 1.00 0.29 C ATOM 1549 O ASP B 39 5.463 9.955 -5.778 1.00 0.29 O ATOM 1550 CB ASP B 39 2.709 10.712 -6.004 1.00 0.31 C ATOM 1551 CG ASP B 39 3.133 12.167 -5.958 1.00 0.42 C ATOM 1552 OD1 ASP B 39 2.579 12.978 -6.727 1.00 1.18 O ATOM 1553 OD2 ASP B 39 4.020 12.508 -5.150 1.00 1.17 O ATOM 0 H ASP B 39 3.508 8.005 -6.244 1.00 0.20 H new ATOM 0 HA ASP B 39 3.168 10.313 -8.056 1.00 0.26 H new ATOM 0 HB2 ASP B 39 1.637 10.654 -6.192 1.00 0.31 H new ATOM 0 HB3 ASP B 39 2.887 10.253 -5.031 1.00 0.31 H new ATOM 1558 N GLY B 40 5.647 10.349 -7.990 1.00 0.35 N ATOM 1559 CA GLY B 40 7.090 10.471 -7.950 1.00 0.39 C ATOM 1560 C GLY B 40 7.757 9.142 -7.664 1.00 0.34 C ATOM 1561 O GLY B 40 8.162 8.427 -8.584 1.00 0.42 O ATOM 0 H GLY B 40 5.234 10.482 -8.913 1.00 0.35 H new ATOM 0 HA2 GLY B 40 7.449 10.861 -8.903 1.00 0.39 H new ATOM 0 HA3 GLY B 40 7.373 11.193 -7.184 1.00 0.39 H new ATOM 1565 N ASP B 41 7.853 8.807 -6.388 1.00 0.28 N ATOM 1566 CA ASP B 41 8.422 7.537 -5.959 1.00 0.28 C ATOM 1567 C ASP B 41 7.428 6.803 -5.075 1.00 0.23 C ATOM 1568 O ASP B 41 7.476 5.584 -4.948 1.00 0.29 O ATOM 1569 CB ASP B 41 9.708 7.750 -5.154 1.00 0.37 C ATOM 1570 CG ASP B 41 10.638 8.770 -5.770 1.00 1.17 C ATOM 1571 OD1 ASP B 41 10.462 9.975 -5.494 1.00 1.84 O ATOM 1572 OD2 ASP B 41 11.556 8.376 -6.519 1.00 1.91 O ATOM 0 H ASP B 41 7.541 9.404 -5.622 1.00 0.28 H new ATOM 0 HA ASP B 41 8.648 6.956 -6.853 1.00 0.28 H new ATOM 0 HB2 ASP B 41 9.448 8.069 -4.145 1.00 0.37 H new ATOM 0 HB3 ASP B 41 10.233 6.799 -5.062 1.00 0.37 H new ATOM 1577 N LYS B 42 6.509 7.557 -4.484 1.00 0.20 N ATOM 1578 CA LYS B 42 5.661 7.036 -3.427 1.00 0.21 C ATOM 1579 C LYS B 42 4.374 6.460 -3.999 1.00 0.16 C ATOM 1580 O LYS B 42 4.041 6.681 -5.164 1.00 0.14 O ATOM 1581 CB LYS B 42 5.337 8.124 -2.395 1.00 0.27 C ATOM 1582 CG LYS B 42 3.983 8.779 -2.613 1.00 0.33 C ATOM 1583 CD LYS B 42 3.641 9.752 -1.503 1.00 0.36 C ATOM 1584 CE LYS B 42 4.562 10.955 -1.539 1.00 0.63 C ATOM 1585 NZ LYS B 42 4.148 11.952 -2.562 1.00 0.78 N ATOM 0 H LYS B 42 6.334 8.533 -4.722 1.00 0.20 H new ATOM 0 HA LYS B 42 6.209 6.237 -2.927 1.00 0.21 H new ATOM 0 HB2 LYS B 42 5.364 7.687 -1.397 1.00 0.27 H new ATOM 0 HB3 LYS B 42 6.112 8.889 -2.429 1.00 0.27 H new ATOM 0 HG2 LYS B 42 3.983 9.304 -3.568 1.00 0.33 H new ATOM 0 HG3 LYS B 42 3.213 8.010 -2.672 1.00 0.33 H new ATOM 0 HD2 LYS B 42 2.606 10.078 -1.605 1.00 0.36 H new ATOM 0 HD3 LYS B 42 3.725 9.253 -0.537 1.00 0.36 H new ATOM 0 HE2 LYS B 42 4.576 11.429 -0.558 1.00 0.63 H new ATOM 0 HE3 LYS B 42 5.580 10.625 -1.748 1.00 0.63 H new ATOM 0 HZ1 LYS B 42 4.661 12.843 -2.406 1.00 0.78 H new ATOM 0 HZ2 LYS B 42 4.367 11.587 -3.511 1.00 0.78 H new ATOM 0 HZ3 LYS B 42 3.125 12.124 -2.485 1.00 0.78 H new ATOM 1599 N ILE B 43 3.649 5.744 -3.163 1.00 0.17 N ATOM 1600 CA ILE B 43 2.416 5.101 -3.571 1.00 0.16 C ATOM 1601 C ILE B 43 1.290 5.536 -2.638 1.00 0.18 C ATOM 1602 O ILE B 43 1.488 5.646 -1.428 1.00 0.21 O ATOM 1603 CB ILE B 43 2.537 3.557 -3.554 1.00 0.16 C ATOM 1604 CG1 ILE B 43 3.678 3.079 -4.468 1.00 0.18 C ATOM 1605 CG2 ILE B 43 1.215 2.925 -3.965 1.00 0.15 C ATOM 1606 CD1 ILE B 43 3.295 2.939 -5.932 1.00 0.22 C ATOM 0 H ILE B 43 3.897 5.592 -2.185 1.00 0.17 H new ATOM 0 HA ILE B 43 2.200 5.405 -4.595 1.00 0.16 H new ATOM 0 HB ILE B 43 2.775 3.243 -2.538 1.00 0.16 H new ATOM 0 HG12 ILE B 43 4.509 3.780 -4.388 1.00 0.18 H new ATOM 0 HG13 ILE B 43 4.038 2.116 -4.106 1.00 0.18 H new ATOM 0 HG21 ILE B 43 1.310 1.839 -3.950 1.00 0.15 H new ATOM 0 HG22 ILE B 43 0.434 3.230 -3.269 1.00 0.15 H new ATOM 0 HG23 ILE B 43 0.953 3.252 -4.971 1.00 0.15 H new ATOM 0 HD11 ILE B 43 4.159 2.598 -6.503 1.00 0.22 H new ATOM 0 HD12 ILE B 43 2.487 2.214 -6.029 1.00 0.22 H new ATOM 0 HD13 ILE B 43 2.965 3.904 -6.316 1.00 0.22 H new ATOM 1618 N ILE B 44 0.123 5.786 -3.202 1.00 0.16 N ATOM 1619 CA ILE B 44 -1.000 6.322 -2.446 1.00 0.19 C ATOM 1620 C ILE B 44 -2.166 5.349 -2.461 1.00 0.20 C ATOM 1621 O ILE B 44 -2.709 5.046 -3.518 1.00 0.26 O ATOM 1622 CB ILE B 44 -1.461 7.670 -3.035 1.00 0.21 C ATOM 1623 CG1 ILE B 44 -0.269 8.622 -3.165 1.00 0.22 C ATOM 1624 CG2 ILE B 44 -2.560 8.279 -2.179 1.00 0.30 C ATOM 1625 CD1 ILE B 44 -0.643 10.036 -3.563 1.00 0.25 C ATOM 0 H ILE B 44 -0.075 5.626 -4.190 1.00 0.16 H new ATOM 0 HA ILE B 44 -0.667 6.473 -1.419 1.00 0.19 H new ATOM 0 HB ILE B 44 -1.871 7.499 -4.030 1.00 0.21 H new ATOM 0 HG12 ILE B 44 0.262 8.653 -2.214 1.00 0.22 H new ATOM 0 HG13 ILE B 44 0.424 8.220 -3.904 1.00 0.22 H new ATOM 0 HG21 ILE B 44 -2.872 9.230 -2.610 1.00 0.30 H new ATOM 0 HG22 ILE B 44 -3.412 7.600 -2.143 1.00 0.30 H new ATOM 0 HG23 ILE B 44 -2.185 8.445 -1.169 1.00 0.30 H new ATOM 0 HD11 ILE B 44 0.258 10.645 -3.633 1.00 0.25 H new ATOM 0 HD12 ILE B 44 -1.146 10.021 -4.530 1.00 0.25 H new ATOM 0 HD13 ILE B 44 -1.310 10.461 -2.813 1.00 0.25 H new ATOM 1637 N LEU B 45 -2.548 4.867 -1.292 1.00 0.18 N ATOM 1638 CA LEU B 45 -3.602 3.870 -1.188 1.00 0.19 C ATOM 1639 C LEU B 45 -4.909 4.479 -0.696 1.00 0.20 C ATOM 1640 O LEU B 45 -4.924 5.269 0.252 1.00 0.25 O ATOM 1641 CB LEU B 45 -3.175 2.725 -0.265 1.00 0.20 C ATOM 1642 CG LEU B 45 -2.350 1.617 -0.931 1.00 0.19 C ATOM 1643 CD1 LEU B 45 -1.050 2.163 -1.492 1.00 0.19 C ATOM 1644 CD2 LEU B 45 -2.069 0.500 0.058 1.00 0.24 C ATOM 0 H LEU B 45 -2.144 5.149 -0.399 1.00 0.18 H new ATOM 0 HA LEU B 45 -3.773 3.474 -2.189 1.00 0.19 H new ATOM 0 HB2 LEU B 45 -2.595 3.142 0.558 1.00 0.20 H new ATOM 0 HB3 LEU B 45 -4.069 2.278 0.169 1.00 0.20 H new ATOM 0 HG LEU B 45 -2.933 1.216 -1.760 1.00 0.19 H new ATOM 0 HD11 LEU B 45 -0.487 1.354 -1.958 1.00 0.19 H new ATOM 0 HD12 LEU B 45 -1.268 2.929 -2.236 1.00 0.19 H new ATOM 0 HD13 LEU B 45 -0.460 2.598 -0.685 1.00 0.19 H new ATOM 0 HD21 LEU B 45 -1.483 -0.279 -0.430 1.00 0.24 H new ATOM 0 HD22 LEU B 45 -1.511 0.897 0.906 1.00 0.24 H new ATOM 0 HD23 LEU B 45 -3.011 0.079 0.409 1.00 0.24 H new ATOM 1656 N LYS B 46 -5.994 4.107 -1.363 1.00 0.19 N ATOM 1657 CA LYS B 46 -7.335 4.559 -1.004 1.00 0.24 C ATOM 1658 C LYS B 46 -8.341 3.464 -1.315 1.00 0.20 C ATOM 1659 O LYS B 46 -8.019 2.492 -1.991 1.00 0.30 O ATOM 1660 CB LYS B 46 -7.707 5.814 -1.796 1.00 0.38 C ATOM 1661 CG LYS B 46 -7.900 5.532 -3.273 1.00 0.99 C ATOM 1662 CD LYS B 46 -8.477 6.720 -4.017 1.00 1.11 C ATOM 1663 CE LYS B 46 -8.869 6.322 -5.427 1.00 1.14 C ATOM 1664 NZ LYS B 46 -9.938 5.292 -5.434 1.00 1.85 N ATOM 0 H LYS B 46 -5.971 3.483 -2.169 1.00 0.19 H new ATOM 0 HA LYS B 46 -7.349 4.790 0.061 1.00 0.24 H new ATOM 0 HB2 LYS B 46 -8.624 6.239 -1.388 1.00 0.38 H new ATOM 0 HB3 LYS B 46 -6.925 6.563 -1.672 1.00 0.38 H new ATOM 0 HG2 LYS B 46 -6.942 5.259 -3.716 1.00 0.99 H new ATOM 0 HG3 LYS B 46 -8.562 4.675 -3.393 1.00 0.99 H new ATOM 0 HD2 LYS B 46 -9.348 7.102 -3.485 1.00 1.11 H new ATOM 0 HD3 LYS B 46 -7.745 7.527 -4.050 1.00 1.11 H new ATOM 0 HE2 LYS B 46 -9.210 7.203 -5.971 1.00 1.14 H new ATOM 0 HE3 LYS B 46 -7.994 5.941 -5.953 1.00 1.14 H new ATOM 0 HZ1 LYS B 46 -10.060 4.924 -6.399 1.00 1.85 H new ATOM 0 HZ2 LYS B 46 -9.674 4.513 -4.798 1.00 1.85 H new ATOM 0 HZ3 LYS B 46 -10.831 5.716 -5.110 1.00 1.85 H new ATOM 1678 N LYS B 47 -9.552 3.619 -0.827 1.00 0.22 N ATOM 1679 CA LYS B 47 -10.620 2.694 -1.174 1.00 0.22 C ATOM 1680 C LYS B 47 -11.312 3.203 -2.435 1.00 0.25 C ATOM 1681 O LYS B 47 -11.348 4.409 -2.687 1.00 0.41 O ATOM 1682 CB LYS B 47 -11.610 2.531 -0.010 1.00 0.26 C ATOM 1683 CG LYS B 47 -12.341 1.183 0.022 1.00 0.28 C ATOM 1684 CD LYS B 47 -13.565 1.158 -0.874 1.00 0.44 C ATOM 1685 CE LYS B 47 -14.352 -0.130 -0.704 1.00 0.51 C ATOM 1686 NZ LYS B 47 -15.003 -0.208 0.627 1.00 0.43 N ATOM 0 H LYS B 47 -9.825 4.370 -0.193 1.00 0.22 H new ATOM 0 HA LYS B 47 -10.204 1.706 -1.368 1.00 0.22 H new ATOM 0 HB2 LYS B 47 -11.071 2.660 0.929 1.00 0.26 H new ATOM 0 HB3 LYS B 47 -12.350 3.330 -0.065 1.00 0.26 H new ATOM 0 HG2 LYS B 47 -11.654 0.395 -0.286 1.00 0.28 H new ATOM 0 HG3 LYS B 47 -12.641 0.962 1.046 1.00 0.28 H new ATOM 0 HD2 LYS B 47 -14.204 2.010 -0.642 1.00 0.44 H new ATOM 0 HD3 LYS B 47 -13.258 1.264 -1.915 1.00 0.44 H new ATOM 0 HE2 LYS B 47 -15.111 -0.198 -1.484 1.00 0.51 H new ATOM 0 HE3 LYS B 47 -13.685 -0.983 -0.833 1.00 0.51 H new ATOM 0 HZ1 LYS B 47 -14.731 -1.096 1.095 1.00 0.43 H new ATOM 0 HZ2 LYS B 47 -14.699 0.598 1.210 1.00 0.43 H new ATOM 0 HZ3 LYS B 47 -16.036 -0.181 0.510 1.00 0.43 H new ATOM 1700 N TYR B 48 -11.829 2.290 -3.239 1.00 0.22 N ATOM 1701 CA TYR B 48 -12.397 2.645 -4.530 1.00 0.23 C ATOM 1702 C TYR B 48 -13.738 3.361 -4.369 1.00 0.25 C ATOM 1703 O TYR B 48 -13.904 4.489 -4.823 1.00 0.29 O ATOM 1704 CB TYR B 48 -12.582 1.389 -5.386 1.00 0.27 C ATOM 1705 CG TYR B 48 -12.985 1.693 -6.811 1.00 0.34 C ATOM 1706 CD1 TYR B 48 -12.045 2.112 -7.743 1.00 1.12 C ATOM 1707 CD2 TYR B 48 -14.307 1.569 -7.220 1.00 0.96 C ATOM 1708 CE1 TYR B 48 -12.410 2.399 -9.044 1.00 1.17 C ATOM 1709 CE2 TYR B 48 -14.680 1.855 -8.517 1.00 1.03 C ATOM 1710 CZ TYR B 48 -13.729 2.269 -9.425 1.00 0.59 C ATOM 1711 OH TYR B 48 -14.096 2.552 -10.721 1.00 0.74 O ATOM 0 H TYR B 48 -11.868 1.294 -3.021 1.00 0.22 H new ATOM 0 HA TYR B 48 -11.704 3.325 -5.025 1.00 0.23 H new ATOM 0 HB2 TYR B 48 -11.652 0.821 -5.392 1.00 0.27 H new ATOM 0 HB3 TYR B 48 -13.341 0.754 -4.928 1.00 0.27 H new ATOM 0 HD1 TYR B 48 -11.012 2.215 -7.446 1.00 1.12 H new ATOM 0 HD2 TYR B 48 -15.054 1.244 -6.511 1.00 0.96 H new ATOM 0 HE1 TYR B 48 -11.667 2.723 -9.758 1.00 1.17 H new ATOM 0 HE2 TYR B 48 -15.712 1.755 -8.819 1.00 1.03 H new ATOM 0 HH TYR B 48 -15.060 2.409 -10.827 1.00 0.74 H new ATOM 1721 N LYS B 49 -14.672 2.688 -3.706 1.00 0.32 N ATOM 1722 CA LYS B 49 -16.058 3.145 -3.584 1.00 0.46 C ATOM 1723 C LYS B 49 -16.209 4.604 -3.107 1.00 0.54 C ATOM 1724 O LYS B 49 -16.785 5.417 -3.830 1.00 0.61 O ATOM 1725 CB LYS B 49 -16.830 2.207 -2.655 1.00 0.61 C ATOM 1726 CG LYS B 49 -18.308 2.544 -2.536 1.00 0.97 C ATOM 1727 CD LYS B 49 -19.013 2.453 -3.877 1.00 2.15 C ATOM 1728 CE LYS B 49 -20.459 2.907 -3.777 1.00 2.61 C ATOM 1729 NZ LYS B 49 -21.254 2.060 -2.848 1.00 2.92 N ATOM 0 H LYS B 49 -14.491 1.803 -3.233 1.00 0.32 H new ATOM 0 HA LYS B 49 -16.473 3.120 -4.591 1.00 0.46 H new ATOM 0 HB2 LYS B 49 -16.728 1.185 -3.019 1.00 0.61 H new ATOM 0 HB3 LYS B 49 -16.378 2.239 -1.664 1.00 0.61 H new ATOM 0 HG2 LYS B 49 -18.781 1.863 -1.829 1.00 0.97 H new ATOM 0 HG3 LYS B 49 -18.421 3.550 -2.133 1.00 0.97 H new ATOM 0 HD2 LYS B 49 -18.487 3.067 -4.608 1.00 2.15 H new ATOM 0 HD3 LYS B 49 -18.977 1.426 -4.239 1.00 2.15 H new ATOM 0 HE2 LYS B 49 -20.490 3.942 -3.437 1.00 2.61 H new ATOM 0 HE3 LYS B 49 -20.914 2.883 -4.767 1.00 2.61 H new ATOM 0 HZ1 LYS B 49 -22.259 2.320 -2.915 1.00 2.92 H new ATOM 0 HZ2 LYS B 49 -21.138 1.059 -3.105 1.00 2.92 H new ATOM 0 HZ3 LYS B 49 -20.922 2.208 -1.874 1.00 2.92 H new ATOM 1743 N PRO B 50 -15.720 4.967 -1.896 1.00 0.60 N ATOM 1744 CA PRO B 50 -15.980 6.294 -1.317 1.00 0.82 C ATOM 1745 C PRO B 50 -15.444 7.425 -2.185 1.00 0.82 C ATOM 1746 O PRO B 50 -16.114 8.437 -2.388 1.00 1.57 O ATOM 1747 CB PRO B 50 -15.244 6.266 0.029 1.00 1.06 C ATOM 1748 CG PRO B 50 -15.033 4.824 0.324 1.00 0.89 C ATOM 1749 CD PRO B 50 -14.876 4.153 -1.008 1.00 0.53 C ATOM 0 HA PRO B 50 -17.050 6.483 -1.226 1.00 0.82 H new ATOM 0 HB2 PRO B 50 -14.295 6.800 -0.029 1.00 1.06 H new ATOM 0 HB3 PRO B 50 -15.833 6.746 0.810 1.00 1.06 H new ATOM 0 HG2 PRO B 50 -14.148 4.677 0.943 1.00 0.89 H new ATOM 0 HG3 PRO B 50 -15.878 4.410 0.873 1.00 0.89 H new ATOM 0 HD2 PRO B 50 -13.836 4.146 -1.335 1.00 0.53 H new ATOM 0 HD3 PRO B 50 -15.207 3.115 -0.978 1.00 0.53 H new ATOM 1757 N HIS B 51 -14.240 7.242 -2.706 1.00 0.97 N ATOM 1758 CA HIS B 51 -13.597 8.268 -3.506 1.00 1.13 C ATOM 1759 C HIS B 51 -12.967 7.649 -4.748 1.00 1.69 C ATOM 1760 O HIS B 51 -11.771 7.356 -4.779 1.00 2.46 O ATOM 1761 CB HIS B 51 -12.548 9.004 -2.662 1.00 2.12 C ATOM 1762 CG HIS B 51 -12.087 10.308 -3.244 1.00 2.92 C ATOM 1763 ND1 HIS B 51 -10.805 10.791 -3.084 1.00 3.83 N ATOM 1764 CD2 HIS B 51 -12.751 11.247 -3.961 1.00 3.53 C ATOM 1765 CE1 HIS B 51 -10.701 11.966 -3.678 1.00 4.68 C ATOM 1766 NE2 HIS B 51 -11.866 12.264 -4.220 1.00 4.55 N ATOM 0 H HIS B 51 -13.690 6.391 -2.588 1.00 0.97 H new ATOM 0 HA HIS B 51 -14.344 8.991 -3.833 1.00 1.13 H new ATOM 0 HB2 HIS B 51 -12.962 9.189 -1.671 1.00 2.12 H new ATOM 0 HB3 HIS B 51 -11.684 8.353 -2.530 1.00 2.12 H new ATOM 0 HD2 HIS B 51 -13.785 11.203 -4.271 1.00 3.53 H new ATOM 0 HE1 HIS B 51 -9.813 12.579 -3.714 1.00 4.68 H new ATOM 0 HE2 HIS B 51 -12.075 13.112 -4.746 1.00 4.55 H new ATOM 1775 N GLY B 52 -13.790 7.427 -5.760 1.00 2.10 N ATOM 1776 CA GLY B 52 -13.314 6.822 -6.988 1.00 3.10 C ATOM 1777 C GLY B 52 -13.094 7.847 -8.074 1.00 2.89 C ATOM 1778 O GLY B 52 -13.984 8.105 -8.884 1.00 3.12 O ATOM 0 H GLY B 52 -14.784 7.656 -5.754 1.00 2.10 H new ATOM 0 HA2 GLY B 52 -12.381 6.293 -6.794 1.00 3.10 H new ATOM 0 HA3 GLY B 52 -14.035 6.080 -7.330 1.00 3.10 H new ATOM 1782 N VAL B 53 -11.916 8.443 -8.077 1.00 2.81 N ATOM 1783 CA VAL B 53 -11.571 9.458 -9.057 1.00 2.74 C ATOM 1784 C VAL B 53 -10.073 9.435 -9.332 1.00 2.07 C ATOM 1785 O VAL B 53 -9.278 9.052 -8.466 1.00 1.96 O ATOM 1786 CB VAL B 53 -11.996 10.870 -8.581 1.00 3.42 C ATOM 1787 CG1 VAL B 53 -11.173 11.312 -7.381 1.00 3.57 C ATOM 1788 CG2 VAL B 53 -11.896 11.886 -9.713 1.00 3.62 C ATOM 0 H VAL B 53 -11.176 8.240 -7.406 1.00 2.81 H new ATOM 0 HA VAL B 53 -12.112 9.232 -9.976 1.00 2.74 H new ATOM 0 HB VAL B 53 -13.040 10.816 -8.272 1.00 3.42 H new ATOM 0 HG11 VAL B 53 -11.492 12.306 -7.067 1.00 3.57 H new ATOM 0 HG12 VAL B 53 -11.319 10.609 -6.561 1.00 3.57 H new ATOM 0 HG13 VAL B 53 -10.118 11.338 -7.653 1.00 3.57 H new ATOM 0 HG21 VAL B 53 -12.200 12.867 -9.349 1.00 3.62 H new ATOM 0 HG22 VAL B 53 -10.867 11.934 -10.069 1.00 3.62 H new ATOM 0 HG23 VAL B 53 -12.549 11.584 -10.532 1.00 3.62 H new ATOM 1798 N CYS B 54 -9.704 9.818 -10.542 1.00 1.96 N ATOM 1799 CA CYS B 54 -8.309 9.899 -10.937 1.00 1.58 C ATOM 1800 C CYS B 54 -7.715 11.218 -10.454 1.00 2.13 C ATOM 1801 O CYS B 54 -6.965 11.209 -9.453 1.00 2.76 O ATOM 1802 CB CYS B 54 -8.198 9.773 -12.463 1.00 1.96 C ATOM 1803 SG CYS B 54 -6.511 9.830 -13.111 1.00 2.82 S ATOM 1804 OXT CYS B 54 -8.029 12.265 -11.050 1.00 2.59 O ATOM 0 H CYS B 54 -10.361 10.081 -11.276 1.00 1.96 H new ATOM 0 HA CYS B 54 -7.749 9.082 -10.482 1.00 1.58 H new ATOM 0 HB2 CYS B 54 -8.658 8.834 -12.770 1.00 1.96 H new ATOM 0 HB3 CYS B 54 -8.775 10.575 -12.922 1.00 1.96 H new ATOM 0 HG CYS B 54 -6.539 9.713 -14.405 1.00 2.82 H new TER 1810 CYS B 54