USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 920 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 3 MET CE :methyl -155:sc= -0.207 (180deg=-1.43!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 117:sc= -1.09 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0261 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 91:sc= 0.737 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= -4.27! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= 0.0285 (180deg=-1.12!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.591 X(o=-0.59,f=-0.14) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ -157:sc= -0.0393 (180deg=-0.833) USER MOD Single : B 5 SER OG : rot 130:sc= -0.468 USER MOD Single : B 6 THR OG1 : rot 180:sc= -0.0405 USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 THR OG1 : rot 92:sc= 0.707 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 TYR OH : rot 151:sc= -4.18! USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 155:sc= 0.0503 (180deg=-1.15!) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 TYR OH : rot 180:sc= -0.0323 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.075) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 2 4.053 -23.086 33.538 1.00 8.91 N ATOM 2 CA PHE A 2 4.481 -23.873 32.346 1.00 8.45 C ATOM 3 C PHE A 2 4.530 -22.974 31.108 1.00 7.63 C ATOM 4 O PHE A 2 5.421 -23.076 30.289 1.00 7.72 O ATOM 5 CB PHE A 2 3.416 -24.957 32.181 1.00 8.96 C ATOM 6 CG PHE A 2 3.821 -25.897 31.072 1.00 9.49 C ATOM 7 CD1 PHE A 2 4.682 -26.969 31.342 1.00 9.97 C ATOM 8 CD2 PHE A 2 3.335 -25.699 29.773 1.00 9.80 C ATOM 9 CE1 PHE A 2 5.057 -27.841 30.313 1.00 10.72 C ATOM 10 CE2 PHE A 2 3.711 -26.572 28.746 1.00 10.54 C ATOM 11 CZ PHE A 2 4.571 -27.644 29.016 1.00 10.99 C ATOM 0 HA PHE A 2 5.477 -24.298 32.469 1.00 8.45 H new ATOM 0 HB2 PHE A 2 3.296 -25.508 33.114 1.00 8.96 H new ATOM 0 HB3 PHE A 2 2.452 -24.503 31.953 1.00 8.96 H new ATOM 0 HD1 PHE A 2 5.056 -27.122 32.343 1.00 9.97 H new ATOM 0 HD2 PHE A 2 2.671 -24.873 29.564 1.00 9.80 H new ATOM 0 HE1 PHE A 2 5.722 -28.666 30.521 1.00 10.72 H new ATOM 0 HE2 PHE A 2 3.338 -26.419 27.744 1.00 10.54 H new ATOM 0 HZ PHE A 2 4.859 -28.318 28.223 1.00 10.99 H new ATOM 21 N MET A 3 3.572 -22.099 30.960 1.00 7.11 N ATOM 22 CA MET A 3 3.557 -21.205 29.767 1.00 6.57 C ATOM 23 C MET A 3 4.144 -19.835 30.124 1.00 5.78 C ATOM 24 O MET A 3 3.955 -19.334 31.215 1.00 5.66 O ATOM 25 CB MET A 3 2.082 -21.074 29.389 1.00 6.89 C ATOM 26 CG MET A 3 1.525 -22.449 29.018 1.00 7.83 C ATOM 27 SD MET A 3 2.524 -23.168 27.692 1.00 8.58 S ATOM 28 CE MET A 3 2.192 -21.900 26.444 1.00 8.76 C ATOM 0 H MET A 3 2.800 -21.965 31.613 1.00 7.11 H new ATOM 0 HA MET A 3 4.154 -21.602 28.946 1.00 6.57 H new ATOM 0 HB2 MET A 3 1.518 -20.655 30.222 1.00 6.89 H new ATOM 0 HB3 MET A 3 1.970 -20.387 28.550 1.00 6.89 H new ATOM 0 HG2 MET A 3 1.533 -23.104 29.890 1.00 7.83 H new ATOM 0 HG3 MET A 3 0.487 -22.358 28.697 1.00 7.83 H new ATOM 0 HE1 MET A 3 2.320 -22.326 25.449 1.00 8.76 H new ATOM 0 HE2 MET A 3 1.169 -21.539 26.555 1.00 8.76 H new ATOM 0 HE3 MET A 3 2.886 -21.070 26.575 1.00 8.76 H new ATOM 38 N LYS A 4 4.935 -19.276 29.250 1.00 5.58 N ATOM 39 CA LYS A 4 5.629 -17.995 29.582 1.00 5.16 C ATOM 40 C LYS A 4 4.646 -16.953 30.146 1.00 4.32 C ATOM 41 O LYS A 4 4.983 -16.205 31.044 1.00 4.43 O ATOM 42 CB LYS A 4 6.209 -17.510 28.253 1.00 5.73 C ATOM 43 CG LYS A 4 7.256 -18.510 27.757 1.00 6.53 C ATOM 44 CD LYS A 4 7.917 -17.970 26.487 1.00 7.41 C ATOM 45 CE LYS A 4 8.871 -19.024 25.921 1.00 8.29 C ATOM 46 NZ LYS A 4 9.561 -18.347 24.787 1.00 8.85 N ATOM 0 H LYS A 4 5.132 -19.648 28.321 1.00 5.58 H new ATOM 0 HA LYS A 4 6.392 -18.139 30.347 1.00 5.16 H new ATOM 0 HB2 LYS A 4 5.414 -17.403 27.515 1.00 5.73 H new ATOM 0 HB3 LYS A 4 6.661 -16.526 28.379 1.00 5.73 H new ATOM 0 HG2 LYS A 4 8.008 -18.678 28.528 1.00 6.53 H new ATOM 0 HG3 LYS A 4 6.787 -19.473 27.554 1.00 6.53 H new ATOM 0 HD2 LYS A 4 7.157 -17.718 25.748 1.00 7.41 H new ATOM 0 HD3 LYS A 4 8.462 -17.053 26.710 1.00 7.41 H new ATOM 0 HE2 LYS A 4 9.584 -19.357 26.675 1.00 8.29 H new ATOM 0 HE3 LYS A 4 8.329 -19.907 25.583 1.00 8.29 H new ATOM 0 HZ1 LYS A 4 10.233 -19.007 24.346 1.00 8.85 H new ATOM 0 HZ2 LYS A 4 8.858 -18.047 24.082 1.00 8.85 H new ATOM 0 HZ3 LYS A 4 10.074 -17.514 25.140 1.00 8.85 H new ATOM 60 N SER A 5 3.454 -16.863 29.612 1.00 3.84 N ATOM 61 CA SER A 5 2.496 -15.832 30.105 1.00 3.10 C ATOM 62 C SER A 5 1.339 -16.499 30.853 1.00 2.34 C ATOM 63 O SER A 5 1.094 -17.681 30.710 1.00 2.87 O ATOM 64 CB SER A 5 1.990 -15.130 28.847 1.00 3.66 C ATOM 65 OG SER A 5 3.091 -14.555 28.158 1.00 4.20 O ATOM 0 H SER A 5 3.106 -17.457 28.859 1.00 3.84 H new ATOM 0 HA SER A 5 2.961 -15.134 30.801 1.00 3.10 H new ATOM 0 HB2 SER A 5 1.473 -15.841 28.202 1.00 3.66 H new ATOM 0 HB3 SER A 5 1.268 -14.358 29.113 1.00 3.66 H new ATOM 0 HG SER A 5 3.181 -14.975 27.277 1.00 4.20 H new ATOM 71 N THR A 6 0.655 -15.764 31.687 1.00 1.82 N ATOM 72 CA THR A 6 -0.448 -16.372 32.483 1.00 1.98 C ATOM 73 C THR A 6 -1.526 -16.929 31.552 1.00 1.52 C ATOM 74 O THR A 6 -2.107 -17.966 31.809 1.00 2.20 O ATOM 75 CB THR A 6 -1.008 -15.226 33.327 1.00 2.86 C ATOM 76 OG1 THR A 6 -1.570 -14.242 32.471 1.00 3.36 O ATOM 77 CG2 THR A 6 0.116 -14.604 34.157 1.00 3.77 C ATOM 0 H THR A 6 0.812 -14.770 31.851 1.00 1.82 H new ATOM 0 HA THR A 6 -0.102 -17.201 33.101 1.00 1.98 H new ATOM 0 HB THR A 6 -1.779 -15.609 33.996 1.00 2.86 H new ATOM 0 HG1 THR A 6 -1.931 -13.507 33.010 1.00 3.36 H new ATOM 0 HG21 THR A 6 -0.284 -13.788 34.758 1.00 3.77 H new ATOM 0 HG22 THR A 6 0.545 -15.361 34.813 1.00 3.77 H new ATOM 0 HG23 THR A 6 0.889 -14.220 33.492 1.00 3.77 H new ATOM 85 N GLY A 7 -1.766 -16.277 30.447 1.00 0.83 N ATOM 86 CA GLY A 7 -2.768 -16.808 29.479 1.00 0.46 C ATOM 87 C GLY A 7 -4.175 -16.654 30.057 1.00 0.43 C ATOM 88 O GLY A 7 -4.969 -17.573 30.032 1.00 0.49 O ATOM 0 H GLY A 7 -1.314 -15.404 30.173 1.00 0.83 H new ATOM 0 HA2 GLY A 7 -2.693 -16.273 28.533 1.00 0.46 H new ATOM 0 HA3 GLY A 7 -2.564 -17.858 29.269 1.00 0.46 H new ATOM 92 N ILE A 8 -4.493 -15.503 30.588 1.00 0.37 N ATOM 93 CA ILE A 8 -5.855 -15.308 31.172 1.00 0.37 C ATOM 94 C ILE A 8 -6.627 -14.264 30.363 1.00 0.32 C ATOM 95 O ILE A 8 -6.084 -13.265 29.956 1.00 0.30 O ATOM 96 CB ILE A 8 -5.615 -14.805 32.592 1.00 0.40 C ATOM 97 CG1 ILE A 8 -4.694 -15.780 33.330 1.00 0.45 C ATOM 98 CG2 ILE A 8 -6.949 -14.707 33.332 1.00 0.43 C ATOM 99 CD1 ILE A 8 -4.354 -15.217 34.711 1.00 1.36 C ATOM 0 H ILE A 8 -3.874 -14.694 30.643 1.00 0.37 H new ATOM 0 HA ILE A 8 -6.442 -16.226 31.160 1.00 0.37 H new ATOM 0 HB ILE A 8 -5.148 -13.821 32.554 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -5.180 -16.750 33.431 1.00 0.45 H new ATOM 0 HG13 ILE A 8 -3.781 -15.939 32.756 1.00 0.45 H new ATOM 0 HG21 ILE A 8 -6.777 -14.348 34.347 1.00 0.43 H new ATOM 0 HG22 ILE A 8 -7.606 -14.013 32.808 1.00 0.43 H new ATOM 0 HG23 ILE A 8 -7.417 -15.691 33.370 1.00 0.43 H new ATOM 0 HD11 ILE A 8 -3.698 -15.912 35.236 1.00 1.36 H new ATOM 0 HD12 ILE A 8 -3.850 -14.257 34.599 1.00 1.36 H new ATOM 0 HD13 ILE A 8 -5.271 -15.080 35.284 1.00 1.36 H new ATOM 111 N VAL A 9 -7.861 -14.532 30.049 1.00 0.32 N ATOM 112 CA VAL A 9 -8.623 -13.594 29.169 1.00 0.29 C ATOM 113 C VAL A 9 -9.778 -12.943 29.936 1.00 0.32 C ATOM 114 O VAL A 9 -10.439 -13.569 30.741 1.00 0.37 O ATOM 115 CB VAL A 9 -9.152 -14.457 28.024 1.00 0.29 C ATOM 116 CG1 VAL A 9 -10.002 -13.597 27.088 1.00 0.27 C ATOM 117 CG2 VAL A 9 -7.974 -15.045 27.241 1.00 0.30 C ATOM 0 H VAL A 9 -8.377 -15.355 30.360 1.00 0.32 H new ATOM 0 HA VAL A 9 -7.996 -12.779 28.808 1.00 0.29 H new ATOM 0 HB VAL A 9 -9.760 -15.265 28.431 1.00 0.29 H new ATOM 0 HG11 VAL A 9 -10.379 -14.212 26.271 1.00 0.27 H new ATOM 0 HG12 VAL A 9 -10.841 -13.176 27.642 1.00 0.27 H new ATOM 0 HG13 VAL A 9 -9.393 -12.789 26.682 1.00 0.27 H new ATOM 0 HG21 VAL A 9 -8.351 -15.661 26.424 1.00 0.30 H new ATOM 0 HG22 VAL A 9 -7.367 -14.236 26.835 1.00 0.30 H new ATOM 0 HG23 VAL A 9 -7.365 -15.658 27.906 1.00 0.30 H new ATOM 127 N ARG A 10 -10.057 -11.699 29.646 1.00 0.31 N ATOM 128 CA ARG A 10 -11.202 -11.007 30.305 1.00 0.36 C ATOM 129 C ARG A 10 -12.130 -10.415 29.240 1.00 0.31 C ATOM 130 O ARG A 10 -11.734 -10.202 28.113 1.00 0.27 O ATOM 131 CB ARG A 10 -10.567 -9.899 31.146 1.00 0.40 C ATOM 132 CG ARG A 10 -11.648 -9.206 31.978 1.00 0.73 C ATOM 133 CD ARG A 10 -11.022 -8.060 32.775 1.00 0.86 C ATOM 134 NE ARG A 10 -12.125 -7.542 33.633 1.00 1.13 N ATOM 135 CZ ARG A 10 -12.485 -8.196 34.705 1.00 1.36 C ATOM 136 NH1 ARG A 10 -11.879 -9.306 35.033 1.00 1.61 N ATOM 137 NH2 ARG A 10 -13.452 -7.738 35.453 1.00 1.91 N ATOM 0 H ARG A 10 -9.538 -11.130 28.977 1.00 0.31 H new ATOM 0 HA ARG A 10 -11.803 -11.681 30.916 1.00 0.36 H new ATOM 0 HB2 ARG A 10 -9.802 -10.318 31.800 1.00 0.40 H new ATOM 0 HB3 ARG A 10 -10.072 -9.175 30.499 1.00 0.40 H new ATOM 0 HG2 ARG A 10 -12.434 -8.823 31.327 1.00 0.73 H new ATOM 0 HG3 ARG A 10 -12.115 -9.921 32.655 1.00 0.73 H new ATOM 0 HD2 ARG A 10 -10.184 -8.410 33.378 1.00 0.86 H new ATOM 0 HD3 ARG A 10 -10.637 -7.283 32.114 1.00 0.86 H new ATOM 0 HE ARG A 10 -12.600 -6.675 33.383 1.00 1.13 H new ATOM 0 HH11 ARG A 10 -11.122 -9.665 34.451 1.00 1.61 H new ATOM 0 HH12 ARG A 10 -12.163 -9.814 35.871 1.00 1.61 H new ATOM 0 HH21 ARG A 10 -13.925 -6.871 35.200 1.00 1.91 H new ATOM 0 HH22 ARG A 10 -13.734 -8.248 36.290 1.00 1.91 H new ATOM 151 N LYS A 11 -13.366 -10.171 29.578 1.00 0.32 N ATOM 152 CA LYS A 11 -14.318 -9.622 28.569 1.00 0.29 C ATOM 153 C LYS A 11 -14.177 -8.099 28.475 1.00 0.26 C ATOM 154 O LYS A 11 -13.935 -7.425 29.456 1.00 0.27 O ATOM 155 CB LYS A 11 -15.707 -10.003 29.079 1.00 0.33 C ATOM 156 CG LYS A 11 -16.748 -9.714 27.996 1.00 1.02 C ATOM 157 CD LYS A 11 -18.143 -10.046 28.527 1.00 1.03 C ATOM 158 CE LYS A 11 -19.162 -9.935 27.391 1.00 1.81 C ATOM 159 NZ LYS A 11 -20.251 -10.883 27.758 1.00 2.21 N ATOM 0 H LYS A 11 -13.758 -10.327 30.507 1.00 0.32 H new ATOM 0 HA LYS A 11 -14.130 -10.018 27.571 1.00 0.29 H new ATOM 0 HB2 LYS A 11 -15.730 -11.059 29.347 1.00 0.33 H new ATOM 0 HB3 LYS A 11 -15.941 -9.440 29.982 1.00 0.33 H new ATOM 0 HG2 LYS A 11 -16.700 -8.666 27.701 1.00 1.02 H new ATOM 0 HG3 LYS A 11 -16.536 -10.306 27.106 1.00 1.02 H new ATOM 0 HD2 LYS A 11 -18.155 -11.053 28.943 1.00 1.03 H new ATOM 0 HD3 LYS A 11 -18.408 -9.364 29.335 1.00 1.03 H new ATOM 0 HE2 LYS A 11 -19.540 -8.917 27.297 1.00 1.81 H new ATOM 0 HE3 LYS A 11 -18.715 -10.199 26.432 1.00 1.81 H new ATOM 0 HZ1 LYS A 11 -20.989 -10.864 27.026 1.00 2.21 H new ATOM 0 HZ2 LYS A 11 -19.863 -11.845 27.833 1.00 2.21 H new ATOM 0 HZ3 LYS A 11 -20.662 -10.603 28.671 1.00 2.21 H new ATOM 173 N VAL A 12 -14.341 -7.554 27.300 1.00 0.22 N ATOM 174 CA VAL A 12 -14.232 -6.074 27.138 1.00 0.21 C ATOM 175 C VAL A 12 -15.550 -5.407 27.538 1.00 0.20 C ATOM 176 O VAL A 12 -16.608 -5.804 27.097 1.00 0.20 O ATOM 177 CB VAL A 12 -13.964 -5.849 25.649 1.00 0.20 C ATOM 178 CG1 VAL A 12 -13.445 -4.427 25.431 1.00 0.28 C ATOM 179 CG2 VAL A 12 -12.924 -6.855 25.151 1.00 0.28 C ATOM 0 H VAL A 12 -14.546 -8.069 26.444 1.00 0.22 H new ATOM 0 HA VAL A 12 -13.446 -5.651 27.763 1.00 0.21 H new ATOM 0 HB VAL A 12 -14.892 -5.987 25.093 1.00 0.20 H new ATOM 0 HG11 VAL A 12 -13.254 -4.268 24.370 1.00 0.28 H new ATOM 0 HG12 VAL A 12 -14.190 -3.711 25.777 1.00 0.28 H new ATOM 0 HG13 VAL A 12 -12.520 -4.287 25.991 1.00 0.28 H new ATOM 0 HG21 VAL A 12 -12.737 -6.690 24.090 1.00 0.28 H new ATOM 0 HG22 VAL A 12 -11.996 -6.724 25.707 1.00 0.28 H new ATOM 0 HG23 VAL A 12 -13.297 -7.868 25.300 1.00 0.28 H new ATOM 189 N ASP A 13 -15.499 -4.404 28.368 1.00 0.20 N ATOM 190 CA ASP A 13 -16.759 -3.731 28.791 1.00 0.21 C ATOM 191 C ASP A 13 -17.166 -2.673 27.756 1.00 0.22 C ATOM 192 O ASP A 13 -16.634 -2.623 26.665 1.00 0.22 O ATOM 193 CB ASP A 13 -16.451 -3.105 30.158 1.00 0.21 C ATOM 194 CG ASP A 13 -15.921 -1.681 29.989 1.00 0.32 C ATOM 195 OD1 ASP A 13 -14.737 -1.529 29.748 1.00 0.26 O ATOM 196 OD2 ASP A 13 -16.712 -0.761 30.099 1.00 0.55 O ATOM 0 H ASP A 13 -14.643 -4.022 28.771 1.00 0.20 H new ATOM 0 HA ASP A 13 -17.598 -4.424 28.863 1.00 0.21 H new ATOM 0 HB2 ASP A 13 -17.353 -3.093 30.770 1.00 0.21 H new ATOM 0 HB3 ASP A 13 -15.716 -3.713 30.685 1.00 0.21 H new ATOM 201 N GLU A 14 -18.193 -1.921 28.039 1.00 0.23 N ATOM 202 CA GLU A 14 -18.741 -0.986 27.012 1.00 0.26 C ATOM 203 C GLU A 14 -17.670 -0.016 26.496 1.00 0.26 C ATOM 204 O GLU A 14 -17.684 0.367 25.343 1.00 0.29 O ATOM 205 CB GLU A 14 -19.849 -0.219 27.733 1.00 0.28 C ATOM 206 CG GLU A 14 -20.959 -1.187 28.146 1.00 1.22 C ATOM 207 CD GLU A 14 -22.095 -0.409 28.811 1.00 1.57 C ATOM 208 OE1 GLU A 14 -21.908 0.769 29.071 1.00 2.19 O ATOM 209 OE2 GLU A 14 -23.134 -1.003 29.051 1.00 1.99 O ATOM 0 H GLU A 14 -18.678 -1.912 28.936 1.00 0.23 H new ATOM 0 HA GLU A 14 -19.103 -1.526 26.137 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -19.445 0.283 28.612 1.00 0.28 H new ATOM 0 HB3 GLU A 14 -20.252 0.556 27.081 1.00 0.28 H new ATOM 0 HG2 GLU A 14 -21.333 -1.722 27.273 1.00 1.22 H new ATOM 0 HG3 GLU A 14 -20.566 -1.936 28.834 1.00 1.22 H new ATOM 216 N LEU A 15 -16.821 0.479 27.353 1.00 0.23 N ATOM 217 CA LEU A 15 -15.857 1.529 26.908 1.00 0.24 C ATOM 218 C LEU A 15 -14.605 0.913 26.273 1.00 0.22 C ATOM 219 O LEU A 15 -13.727 1.618 25.816 1.00 0.24 O ATOM 220 CB LEU A 15 -15.486 2.302 28.172 1.00 0.28 C ATOM 221 CG LEU A 15 -14.400 3.327 27.837 1.00 0.38 C ATOM 222 CD1 LEU A 15 -14.798 4.106 26.581 1.00 1.28 C ATOM 223 CD2 LEU A 15 -14.241 4.300 29.006 1.00 1.38 C ATOM 0 H LEU A 15 -16.751 0.207 28.333 1.00 0.23 H new ATOM 0 HA LEU A 15 -16.300 2.170 26.146 1.00 0.24 H new ATOM 0 HB2 LEU A 15 -16.365 2.805 28.576 1.00 0.28 H new ATOM 0 HB3 LEU A 15 -15.130 1.616 28.941 1.00 0.28 H new ATOM 0 HG LEU A 15 -13.457 2.809 27.660 1.00 0.38 H new ATOM 0 HD11 LEU A 15 -14.023 4.835 26.344 1.00 1.28 H new ATOM 0 HD12 LEU A 15 -14.913 3.415 25.746 1.00 1.28 H new ATOM 0 HD13 LEU A 15 -15.741 4.623 26.757 1.00 1.28 H new ATOM 0 HD21 LEU A 15 -13.468 5.031 28.769 1.00 1.38 H new ATOM 0 HD22 LEU A 15 -15.185 4.815 29.182 1.00 1.38 H new ATOM 0 HD23 LEU A 15 -13.956 3.749 29.902 1.00 1.38 H new ATOM 235 N GLY A 16 -14.483 -0.386 26.272 1.00 0.21 N ATOM 236 CA GLY A 16 -13.250 -0.999 25.704 1.00 0.19 C ATOM 237 C GLY A 16 -12.117 -0.928 26.732 1.00 0.20 C ATOM 238 O GLY A 16 -11.015 -0.505 26.431 1.00 0.20 O ATOM 0 H GLY A 16 -15.174 -1.042 26.635 1.00 0.21 H new ATOM 0 HA2 GLY A 16 -13.441 -2.037 25.430 1.00 0.19 H new ATOM 0 HA3 GLY A 16 -12.960 -0.477 24.792 1.00 0.19 H new ATOM 242 N ARG A 17 -12.391 -1.280 27.957 1.00 0.24 N ATOM 243 CA ARG A 17 -11.344 -1.181 29.010 1.00 0.26 C ATOM 244 C ARG A 17 -11.008 -2.573 29.548 1.00 0.26 C ATOM 245 O ARG A 17 -11.817 -3.479 29.503 1.00 0.26 O ATOM 246 CB ARG A 17 -11.969 -0.314 30.104 1.00 0.28 C ATOM 247 CG ARG A 17 -12.194 1.100 29.566 1.00 0.28 C ATOM 248 CD ARG A 17 -12.773 1.984 30.671 1.00 0.29 C ATOM 249 NE ARG A 17 -14.145 1.456 30.902 1.00 0.57 N ATOM 250 CZ ARG A 17 -15.016 2.169 31.569 1.00 0.79 C ATOM 251 NH1 ARG A 17 -14.670 3.325 32.070 1.00 0.73 N ATOM 252 NH2 ARG A 17 -16.232 1.728 31.737 1.00 1.15 N ATOM 0 H ARG A 17 -13.294 -1.632 28.274 1.00 0.24 H new ATOM 0 HA ARG A 17 -10.414 -0.754 28.635 1.00 0.26 H new ATOM 0 HB2 ARG A 17 -12.915 -0.746 30.429 1.00 0.28 H new ATOM 0 HB3 ARG A 17 -11.316 -0.283 30.976 1.00 0.28 H new ATOM 0 HG2 ARG A 17 -11.253 1.518 29.208 1.00 0.28 H new ATOM 0 HG3 ARG A 17 -12.874 1.072 28.715 1.00 0.28 H new ATOM 0 HD2 ARG A 17 -12.170 1.929 31.578 1.00 0.29 H new ATOM 0 HD3 ARG A 17 -12.798 3.031 30.368 1.00 0.29 H new ATOM 0 HE ARG A 17 -14.406 0.539 30.541 1.00 0.57 H new ATOM 0 HH11 ARG A 17 -13.720 3.673 31.941 1.00 0.73 H new ATOM 0 HH12 ARG A 17 -15.350 3.880 32.590 1.00 0.73 H new ATOM 0 HH21 ARG A 17 -16.506 0.826 31.348 1.00 1.15 H new ATOM 0 HH22 ARG A 17 -16.909 2.286 32.257 1.00 1.15 H new ATOM 266 N VAL A 18 -9.830 -2.744 30.075 1.00 0.26 N ATOM 267 CA VAL A 18 -9.450 -4.070 30.640 1.00 0.25 C ATOM 268 C VAL A 18 -9.066 -3.914 32.110 1.00 0.24 C ATOM 269 O VAL A 18 -8.625 -2.865 32.535 1.00 0.24 O ATOM 270 CB VAL A 18 -8.246 -4.524 29.814 1.00 0.26 C ATOM 271 CG1 VAL A 18 -8.627 -4.562 28.333 1.00 0.28 C ATOM 272 CG2 VAL A 18 -7.091 -3.541 30.017 1.00 0.26 C ATOM 0 H VAL A 18 -9.112 -2.023 30.140 1.00 0.26 H new ATOM 0 HA VAL A 18 -10.265 -4.792 30.595 1.00 0.25 H new ATOM 0 HB VAL A 18 -7.939 -5.519 30.135 1.00 0.26 H new ATOM 0 HG11 VAL A 18 -7.768 -4.886 27.745 1.00 0.28 H new ATOM 0 HG12 VAL A 18 -9.451 -5.260 28.187 1.00 0.28 H new ATOM 0 HG13 VAL A 18 -8.933 -3.567 28.011 1.00 0.28 H new ATOM 0 HG21 VAL A 18 -6.232 -3.863 29.429 1.00 0.26 H new ATOM 0 HG22 VAL A 18 -7.399 -2.546 29.695 1.00 0.26 H new ATOM 0 HG23 VAL A 18 -6.819 -3.513 31.072 1.00 0.26 H new ATOM 282 N VAL A 19 -9.312 -4.915 32.908 1.00 0.22 N ATOM 283 CA VAL A 19 -9.051 -4.776 34.368 1.00 0.21 C ATOM 284 C VAL A 19 -7.904 -5.689 34.799 1.00 0.22 C ATOM 285 O VAL A 19 -7.895 -6.869 34.511 1.00 0.23 O ATOM 286 CB VAL A 19 -10.356 -5.202 35.041 1.00 0.22 C ATOM 287 CG1 VAL A 19 -10.262 -4.951 36.547 1.00 0.23 C ATOM 288 CG2 VAL A 19 -11.517 -4.394 34.459 1.00 0.24 C ATOM 0 H VAL A 19 -9.681 -5.820 32.615 1.00 0.22 H new ATOM 0 HA VAL A 19 -8.760 -3.761 34.638 1.00 0.21 H new ATOM 0 HB VAL A 19 -10.527 -6.264 34.862 1.00 0.22 H new ATOM 0 HG11 VAL A 19 -11.193 -5.255 37.025 1.00 0.23 H new ATOM 0 HG12 VAL A 19 -9.436 -5.529 36.961 1.00 0.23 H new ATOM 0 HG13 VAL A 19 -10.090 -3.890 36.729 1.00 0.23 H new ATOM 0 HG21 VAL A 19 -12.448 -4.697 34.938 1.00 0.24 H new ATOM 0 HG22 VAL A 19 -11.346 -3.332 34.637 1.00 0.24 H new ATOM 0 HG23 VAL A 19 -11.585 -4.576 33.386 1.00 0.24 H new ATOM 298 N ILE A 20 -6.985 -5.172 35.566 1.00 0.22 N ATOM 299 CA ILE A 20 -5.897 -6.033 36.105 1.00 0.24 C ATOM 300 C ILE A 20 -6.379 -6.723 37.386 1.00 0.24 C ATOM 301 O ILE A 20 -6.867 -6.077 38.285 1.00 0.23 O ATOM 302 CB ILE A 20 -4.747 -5.059 36.394 1.00 0.23 C ATOM 303 CG1 ILE A 20 -3.919 -4.865 35.122 1.00 0.29 C ATOM 304 CG2 ILE A 20 -3.849 -5.609 37.504 1.00 0.24 C ATOM 305 CD1 ILE A 20 -3.437 -6.225 34.614 1.00 1.38 C ATOM 0 H ILE A 20 -6.941 -4.191 35.842 1.00 0.22 H new ATOM 0 HA ILE A 20 -5.591 -6.823 35.420 1.00 0.24 H new ATOM 0 HB ILE A 20 -5.163 -4.105 36.718 1.00 0.23 H new ATOM 0 HG12 ILE A 20 -4.518 -4.371 34.357 1.00 0.29 H new ATOM 0 HG13 ILE A 20 -3.066 -4.218 35.326 1.00 0.29 H new ATOM 0 HG21 ILE A 20 -3.038 -4.907 37.697 1.00 0.24 H new ATOM 0 HG22 ILE A 20 -4.436 -5.745 38.413 1.00 0.24 H new ATOM 0 HG23 ILE A 20 -3.433 -6.567 37.194 1.00 0.24 H new ATOM 0 HD11 ILE A 20 -2.847 -6.087 33.708 1.00 1.38 H new ATOM 0 HD12 ILE A 20 -2.823 -6.702 35.378 1.00 1.38 H new ATOM 0 HD13 ILE A 20 -4.297 -6.857 34.394 1.00 1.38 H new ATOM 317 N PRO A 21 -6.178 -8.012 37.447 1.00 0.28 N ATOM 318 CA PRO A 21 -6.548 -8.779 38.662 1.00 0.30 C ATOM 319 C PRO A 21 -5.828 -8.200 39.881 1.00 0.28 C ATOM 320 O PRO A 21 -4.702 -7.758 39.793 1.00 0.27 O ATOM 321 CB PRO A 21 -6.075 -10.205 38.371 1.00 0.35 C ATOM 322 CG PRO A 21 -5.210 -10.114 37.149 1.00 0.35 C ATOM 323 CD PRO A 21 -5.597 -8.863 36.410 1.00 0.32 C ATOM 0 HA PRO A 21 -7.615 -8.741 38.882 1.00 0.30 H new ATOM 0 HB2 PRO A 21 -5.516 -10.610 39.215 1.00 0.35 H new ATOM 0 HB3 PRO A 21 -6.922 -10.870 38.201 1.00 0.35 H new ATOM 0 HG2 PRO A 21 -4.156 -10.084 37.427 1.00 0.35 H new ATOM 0 HG3 PRO A 21 -5.348 -10.991 36.516 1.00 0.35 H new ATOM 0 HD2 PRO A 21 -4.733 -8.391 35.943 1.00 0.32 H new ATOM 0 HD3 PRO A 21 -6.314 -9.073 35.616 1.00 0.32 H new ATOM 331 N ILE A 22 -6.479 -8.158 41.011 1.00 0.30 N ATOM 332 CA ILE A 22 -5.833 -7.552 42.213 1.00 0.30 C ATOM 333 C ILE A 22 -4.495 -8.234 42.496 1.00 0.32 C ATOM 334 O ILE A 22 -3.555 -7.608 42.942 1.00 0.32 O ATOM 335 CB ILE A 22 -6.820 -7.789 43.357 1.00 0.35 C ATOM 336 CG1 ILE A 22 -6.453 -6.892 44.542 1.00 0.41 C ATOM 337 CG2 ILE A 22 -6.763 -9.255 43.791 1.00 0.42 C ATOM 338 CD1 ILE A 22 -5.080 -7.294 45.082 1.00 1.11 C ATOM 0 H ILE A 22 -7.424 -8.514 41.155 1.00 0.30 H new ATOM 0 HA ILE A 22 -5.620 -6.492 42.078 1.00 0.30 H new ATOM 0 HB ILE A 22 -7.828 -7.551 43.018 1.00 0.35 H new ATOM 0 HG12 ILE A 22 -6.441 -5.847 44.231 1.00 0.41 H new ATOM 0 HG13 ILE A 22 -7.204 -6.982 45.326 1.00 0.41 H new ATOM 0 HG21 ILE A 22 -7.467 -9.421 44.606 1.00 0.42 H new ATOM 0 HG22 ILE A 22 -7.026 -9.894 42.948 1.00 0.42 H new ATOM 0 HG23 ILE A 22 -5.755 -9.496 44.128 1.00 0.42 H new ATOM 0 HD11 ILE A 22 -4.819 -6.655 45.926 1.00 1.11 H new ATOM 0 HD12 ILE A 22 -5.108 -8.333 45.409 1.00 1.11 H new ATOM 0 HD13 ILE A 22 -4.333 -7.181 44.297 1.00 1.11 H new ATOM 350 N GLU A 23 -4.384 -9.496 42.201 1.00 0.36 N ATOM 351 CA GLU A 23 -3.081 -10.185 42.415 1.00 0.40 C ATOM 352 C GLU A 23 -1.981 -9.470 41.623 1.00 0.37 C ATOM 353 O GLU A 23 -0.867 -9.309 42.083 1.00 0.39 O ATOM 354 CB GLU A 23 -3.291 -11.600 41.873 1.00 0.44 C ATOM 355 CG GLU A 23 -2.052 -12.449 42.169 1.00 1.22 C ATOM 356 CD GLU A 23 -2.222 -13.835 41.544 1.00 1.62 C ATOM 357 OE1 GLU A 23 -3.241 -14.057 40.911 1.00 2.01 O ATOM 358 OE2 GLU A 23 -1.330 -14.650 41.709 1.00 2.37 O ATOM 0 H GLU A 23 -5.132 -10.078 41.824 1.00 0.36 H new ATOM 0 HA GLU A 23 -2.777 -10.189 43.462 1.00 0.40 H new ATOM 0 HB2 GLU A 23 -4.171 -12.050 42.332 1.00 0.44 H new ATOM 0 HB3 GLU A 23 -3.474 -11.566 40.799 1.00 0.44 H new ATOM 0 HG2 GLU A 23 -1.162 -11.964 41.768 1.00 1.22 H new ATOM 0 HG3 GLU A 23 -1.908 -12.539 43.246 1.00 1.22 H new ATOM 365 N LEU A 24 -2.310 -8.984 40.459 1.00 0.34 N ATOM 366 CA LEU A 24 -1.317 -8.223 39.652 1.00 0.33 C ATOM 367 C LEU A 24 -1.244 -6.770 40.125 1.00 0.29 C ATOM 368 O LEU A 24 -0.203 -6.151 40.078 1.00 0.29 O ATOM 369 CB LEU A 24 -1.826 -8.298 38.212 1.00 0.33 C ATOM 370 CG LEU A 24 -1.816 -9.753 37.740 1.00 0.94 C ATOM 371 CD1 LEU A 24 -2.174 -9.810 36.253 1.00 1.41 C ATOM 372 CD2 LEU A 24 -0.420 -10.345 37.950 1.00 1.75 C ATOM 0 H LEU A 24 -3.230 -9.082 40.030 1.00 0.34 H new ATOM 0 HA LEU A 24 -0.312 -8.634 39.747 1.00 0.33 H new ATOM 0 HB2 LEU A 24 -2.836 -7.892 38.151 1.00 0.33 H new ATOM 0 HB3 LEU A 24 -1.198 -7.690 37.561 1.00 0.33 H new ATOM 0 HG LEU A 24 -2.546 -10.326 38.312 1.00 0.94 H new ATOM 0 HD11 LEU A 24 -2.167 -10.847 35.917 1.00 1.41 H new ATOM 0 HD12 LEU A 24 -3.167 -9.386 36.101 1.00 1.41 H new ATOM 0 HD13 LEU A 24 -1.444 -9.238 35.681 1.00 1.41 H new ATOM 0 HD21 LEU A 24 -0.410 -11.382 37.614 1.00 1.75 H new ATOM 0 HD22 LEU A 24 0.308 -9.771 37.377 1.00 1.75 H new ATOM 0 HD23 LEU A 24 -0.163 -10.304 39.008 1.00 1.75 H new ATOM 384 N ARG A 25 -2.308 -6.250 40.677 1.00 0.25 N ATOM 385 CA ARG A 25 -2.231 -4.876 41.249 1.00 0.23 C ATOM 386 C ARG A 25 -1.121 -4.836 42.296 1.00 0.25 C ATOM 387 O ARG A 25 -0.352 -3.899 42.370 1.00 0.25 O ATOM 388 CB ARG A 25 -3.584 -4.616 41.922 1.00 0.22 C ATOM 389 CG ARG A 25 -4.723 -4.691 40.903 1.00 0.21 C ATOM 390 CD ARG A 25 -6.023 -4.233 41.578 1.00 0.22 C ATOM 391 NE ARG A 25 -7.120 -4.786 40.741 1.00 0.23 N ATOM 392 CZ ARG A 25 -8.323 -4.914 41.235 1.00 0.26 C ATOM 393 NH1 ARG A 25 -8.570 -4.548 42.465 1.00 0.30 N ATOM 394 NH2 ARG A 25 -9.280 -5.406 40.499 1.00 0.27 N ATOM 0 H ARG A 25 -3.215 -6.710 40.756 1.00 0.25 H new ATOM 0 HA ARG A 25 -2.018 -4.128 40.486 1.00 0.23 H new ATOM 0 HB2 ARG A 25 -3.749 -5.349 42.712 1.00 0.22 H new ATOM 0 HB3 ARG A 25 -3.577 -3.634 42.394 1.00 0.22 H new ATOM 0 HG2 ARG A 25 -4.502 -4.059 40.043 1.00 0.21 H new ATOM 0 HG3 ARG A 25 -4.830 -5.710 40.531 1.00 0.21 H new ATOM 0 HD2 ARG A 25 -6.085 -4.603 42.601 1.00 0.22 H new ATOM 0 HD3 ARG A 25 -6.077 -3.146 41.628 1.00 0.22 H new ATOM 0 HE ARG A 25 -6.933 -5.066 39.778 1.00 0.23 H new ATOM 0 HH11 ARG A 25 -7.823 -4.161 43.042 1.00 0.30 H new ATOM 0 HH12 ARG A 25 -9.510 -4.649 42.848 1.00 0.30 H new ATOM 0 HH21 ARG A 25 -9.089 -5.691 39.538 1.00 0.27 H new ATOM 0 HH22 ARG A 25 -10.219 -5.506 40.884 1.00 0.27 H new ATOM 408 N ARG A 26 -1.060 -5.838 43.129 1.00 0.29 N ATOM 409 CA ARG A 26 -0.026 -5.851 44.204 1.00 0.33 C ATOM 410 C ARG A 26 1.365 -6.100 43.616 1.00 0.35 C ATOM 411 O ARG A 26 2.314 -5.408 43.924 1.00 0.35 O ATOM 412 CB ARG A 26 -0.429 -7.008 45.120 1.00 0.37 C ATOM 413 CG ARG A 26 0.507 -7.052 46.330 1.00 1.07 C ATOM 414 CD ARG A 26 0.171 -8.272 47.191 1.00 1.25 C ATOM 415 NE ARG A 26 -1.241 -8.068 47.614 1.00 1.85 N ATOM 416 CZ ARG A 26 -1.524 -7.224 48.571 1.00 2.32 C ATOM 417 NH1 ARG A 26 -0.570 -6.556 49.162 1.00 2.40 N ATOM 418 NH2 ARG A 26 -2.765 -7.049 48.937 1.00 3.26 N ATOM 0 H ARG A 26 -1.680 -6.648 43.113 1.00 0.29 H new ATOM 0 HA ARG A 26 0.024 -4.899 44.733 1.00 0.33 H new ATOM 0 HB2 ARG A 26 -1.460 -6.883 45.449 1.00 0.37 H new ATOM 0 HB3 ARG A 26 -0.381 -7.951 44.575 1.00 0.37 H new ATOM 0 HG2 ARG A 26 1.544 -7.102 45.999 1.00 1.07 H new ATOM 0 HG3 ARG A 26 0.403 -6.139 46.917 1.00 1.07 H new ATOM 0 HD2 ARG A 26 0.284 -9.197 46.626 1.00 1.25 H new ATOM 0 HD3 ARG A 26 0.835 -8.342 48.053 1.00 1.25 H new ATOM 0 HE ARG A 26 -1.990 -8.588 47.156 1.00 1.85 H new ATOM 0 HH11 ARG A 26 0.400 -6.692 48.877 1.00 2.40 H new ATOM 0 HH12 ARG A 26 -0.795 -5.898 49.908 1.00 2.40 H new ATOM 0 HH21 ARG A 26 -3.511 -7.570 48.476 1.00 3.26 H new ATOM 0 HH22 ARG A 26 -2.989 -6.391 49.684 1.00 3.26 H new ATOM 432 N THR A 27 1.499 -7.102 42.792 1.00 0.37 N ATOM 433 CA THR A 27 2.838 -7.429 42.218 1.00 0.41 C ATOM 434 C THR A 27 3.360 -6.281 41.349 1.00 0.39 C ATOM 435 O THR A 27 4.552 -6.081 41.227 1.00 0.42 O ATOM 436 CB THR A 27 2.610 -8.681 41.369 1.00 0.44 C ATOM 437 OG1 THR A 27 2.010 -9.690 42.169 1.00 0.61 O ATOM 438 CG2 THR A 27 3.948 -9.183 40.827 1.00 0.77 C ATOM 0 H THR A 27 0.738 -7.711 42.490 1.00 0.37 H new ATOM 0 HA THR A 27 3.583 -7.588 42.998 1.00 0.41 H new ATOM 0 HB THR A 27 1.952 -8.440 40.534 1.00 0.44 H new ATOM 0 HG1 THR A 27 1.035 -9.620 42.106 1.00 0.61 H new ATOM 0 HG21 THR A 27 3.784 -10.075 40.222 1.00 0.77 H new ATOM 0 HG22 THR A 27 4.406 -8.407 40.213 1.00 0.77 H new ATOM 0 HG23 THR A 27 4.610 -9.425 41.659 1.00 0.77 H new ATOM 446 N LEU A 28 2.487 -5.558 40.706 1.00 0.35 N ATOM 447 CA LEU A 28 2.954 -4.469 39.800 1.00 0.34 C ATOM 448 C LEU A 28 3.131 -3.158 40.573 1.00 0.32 C ATOM 449 O LEU A 28 3.610 -2.177 40.040 1.00 0.33 O ATOM 450 CB LEU A 28 1.851 -4.333 38.747 1.00 0.32 C ATOM 451 CG LEU A 28 2.325 -3.404 37.629 1.00 0.44 C ATOM 452 CD1 LEU A 28 3.402 -4.108 36.801 1.00 0.70 C ATOM 453 CD2 LEU A 28 1.141 -3.049 36.727 1.00 1.05 C ATOM 0 H LEU A 28 1.475 -5.672 40.767 1.00 0.35 H new ATOM 0 HA LEU A 28 3.922 -4.695 39.353 1.00 0.34 H new ATOM 0 HB2 LEU A 28 1.600 -5.312 38.339 1.00 0.32 H new ATOM 0 HB3 LEU A 28 0.944 -3.937 39.204 1.00 0.32 H new ATOM 0 HG LEU A 28 2.739 -2.494 38.064 1.00 0.44 H new ATOM 0 HD11 LEU A 28 3.739 -3.445 36.004 1.00 0.70 H new ATOM 0 HD12 LEU A 28 4.245 -4.363 37.443 1.00 0.70 H new ATOM 0 HD13 LEU A 28 2.989 -5.018 36.366 1.00 0.70 H new ATOM 0 HD21 LEU A 28 1.477 -2.387 35.929 1.00 1.05 H new ATOM 0 HD22 LEU A 28 0.728 -3.960 36.293 1.00 1.05 H new ATOM 0 HD23 LEU A 28 0.373 -2.547 37.316 1.00 1.05 H new ATOM 465 N GLY A 29 2.772 -3.134 41.827 1.00 0.32 N ATOM 466 CA GLY A 29 2.946 -1.887 42.625 1.00 0.32 C ATOM 467 C GLY A 29 2.054 -0.784 42.056 1.00 0.29 C ATOM 468 O GLY A 29 2.461 0.353 41.930 1.00 0.29 O ATOM 0 H GLY A 29 2.367 -3.922 42.333 1.00 0.32 H new ATOM 0 HA2 GLY A 29 2.691 -2.073 43.668 1.00 0.32 H new ATOM 0 HA3 GLY A 29 3.989 -1.572 42.603 1.00 0.32 H new ATOM 472 N ILE A 30 0.849 -1.113 41.692 1.00 0.27 N ATOM 473 CA ILE A 30 -0.059 -0.083 41.106 1.00 0.24 C ATOM 474 C ILE A 30 -1.279 0.136 42.002 1.00 0.23 C ATOM 475 O ILE A 30 -1.833 -0.789 42.561 1.00 0.26 O ATOM 476 CB ILE A 30 -0.483 -0.640 39.750 1.00 0.26 C ATOM 477 CG1 ILE A 30 0.758 -0.882 38.888 1.00 0.41 C ATOM 478 CG2 ILE A 30 -1.401 0.363 39.049 1.00 0.33 C ATOM 479 CD1 ILE A 30 1.615 0.388 38.861 1.00 0.29 C ATOM 0 H ILE A 30 0.451 -2.048 41.773 1.00 0.27 H new ATOM 0 HA ILE A 30 0.436 0.883 41.011 1.00 0.24 H new ATOM 0 HB ILE A 30 -1.016 -1.580 39.895 1.00 0.26 H new ATOM 0 HG12 ILE A 30 1.336 -1.715 39.288 1.00 0.41 H new ATOM 0 HG13 ILE A 30 0.463 -1.156 37.875 1.00 0.41 H new ATOM 0 HG21 ILE A 30 -1.703 -0.036 38.081 1.00 0.33 H new ATOM 0 HG22 ILE A 30 -2.285 0.537 39.662 1.00 0.33 H new ATOM 0 HG23 ILE A 30 -0.869 1.303 38.904 1.00 0.33 H new ATOM 0 HD11 ILE A 30 2.499 0.217 38.247 1.00 0.29 H new ATOM 0 HD12 ILE A 30 1.035 1.210 38.441 1.00 0.29 H new ATOM 0 HD13 ILE A 30 1.921 0.642 39.876 1.00 0.29 H new ATOM 491 N ALA A 31 -1.677 1.365 42.158 1.00 0.22 N ATOM 492 CA ALA A 31 -2.836 1.681 43.041 1.00 0.23 C ATOM 493 C ALA A 31 -3.683 2.791 42.415 1.00 0.20 C ATOM 494 O ALA A 31 -3.272 3.448 41.480 1.00 0.18 O ATOM 495 CB ALA A 31 -2.214 2.167 44.349 1.00 0.23 C ATOM 0 H ALA A 31 -1.246 2.173 41.708 1.00 0.22 H new ATOM 0 HA ALA A 31 -3.489 0.821 43.191 1.00 0.23 H new ATOM 0 HB1 ALA A 31 -3.004 2.421 45.055 1.00 0.23 H new ATOM 0 HB2 ALA A 31 -1.590 1.379 44.770 1.00 0.23 H new ATOM 0 HB3 ALA A 31 -1.603 3.049 44.156 1.00 0.23 H new ATOM 501 N GLU A 32 -4.868 3.003 42.917 1.00 0.22 N ATOM 502 CA GLU A 32 -5.741 4.065 42.340 1.00 0.21 C ATOM 503 C GLU A 32 -4.999 5.406 42.292 1.00 0.19 C ATOM 504 O GLU A 32 -4.229 5.731 43.172 1.00 0.20 O ATOM 505 CB GLU A 32 -6.934 4.152 43.292 1.00 0.25 C ATOM 506 CG GLU A 32 -7.962 5.136 42.732 1.00 0.27 C ATOM 507 CD GLU A 32 -9.102 5.312 43.738 1.00 0.32 C ATOM 508 OE1 GLU A 32 -9.048 4.681 44.780 1.00 1.13 O ATOM 509 OE2 GLU A 32 -10.008 6.076 43.449 1.00 1.12 O ATOM 0 H GLU A 32 -5.270 2.488 43.701 1.00 0.22 H new ATOM 0 HA GLU A 32 -6.043 3.836 41.318 1.00 0.21 H new ATOM 0 HB2 GLU A 32 -7.386 3.168 43.416 1.00 0.25 H new ATOM 0 HB3 GLU A 32 -6.603 4.477 44.278 1.00 0.25 H new ATOM 0 HG2 GLU A 32 -7.489 6.097 42.531 1.00 0.27 H new ATOM 0 HG3 GLU A 32 -8.354 4.769 41.783 1.00 0.27 H new ATOM 516 N LYS A 33 -5.277 6.204 41.293 1.00 0.19 N ATOM 517 CA LYS A 33 -4.658 7.565 41.190 1.00 0.20 C ATOM 518 C LYS A 33 -3.189 7.474 40.760 1.00 0.18 C ATOM 519 O LYS A 33 -2.567 8.472 40.454 1.00 0.21 O ATOM 520 CB LYS A 33 -4.770 8.179 42.589 1.00 0.23 C ATOM 521 CG LYS A 33 -4.585 9.695 42.496 1.00 0.29 C ATOM 522 CD LYS A 33 -4.628 10.302 43.899 1.00 0.87 C ATOM 523 CE LYS A 33 -4.615 11.830 43.795 1.00 1.35 C ATOM 524 NZ LYS A 33 -5.506 12.297 44.894 1.00 1.88 N ATOM 0 H LYS A 33 -5.915 5.969 40.533 1.00 0.19 H new ATOM 0 HA LYS A 33 -5.163 8.172 40.439 1.00 0.20 H new ATOM 0 HB2 LYS A 33 -5.742 7.946 43.023 1.00 0.23 H new ATOM 0 HB3 LYS A 33 -4.016 7.749 43.248 1.00 0.23 H new ATOM 0 HG2 LYS A 33 -3.634 9.927 42.017 1.00 0.29 H new ATOM 0 HG3 LYS A 33 -5.369 10.130 41.876 1.00 0.29 H new ATOM 0 HD2 LYS A 33 -5.524 9.970 44.423 1.00 0.87 H new ATOM 0 HD3 LYS A 33 -3.773 9.959 44.481 1.00 0.87 H new ATOM 0 HE2 LYS A 33 -3.606 12.225 43.910 1.00 1.35 H new ATOM 0 HE3 LYS A 33 -4.979 12.163 42.823 1.00 1.35 H new ATOM 0 HZ1 LYS A 33 -5.549 13.336 44.888 1.00 1.88 H new ATOM 0 HZ2 LYS A 33 -6.461 11.910 44.754 1.00 1.88 H new ATOM 0 HZ3 LYS A 33 -5.131 11.971 45.807 1.00 1.88 H new ATOM 538 N ASP A 34 -2.654 6.288 40.636 1.00 0.16 N ATOM 539 CA ASP A 34 -1.264 6.159 40.111 1.00 0.16 C ATOM 540 C ASP A 34 -1.259 6.338 38.592 1.00 0.19 C ATOM 541 O ASP A 34 -2.296 6.351 37.960 1.00 0.20 O ATOM 542 CB ASP A 34 -0.819 4.750 40.491 1.00 0.17 C ATOM 543 CG ASP A 34 -0.544 4.697 41.993 1.00 0.18 C ATOM 544 OD1 ASP A 34 -0.568 5.743 42.620 1.00 1.10 O ATOM 545 OD2 ASP A 34 -0.311 3.610 42.489 1.00 1.08 O ATOM 0 H ASP A 34 -3.115 5.410 40.874 1.00 0.16 H new ATOM 0 HA ASP A 34 -0.595 6.915 40.523 1.00 0.16 H new ATOM 0 HB2 ASP A 34 -1.591 4.028 40.225 1.00 0.17 H new ATOM 0 HB3 ASP A 34 0.078 4.477 39.935 1.00 0.17 H new ATOM 550 N ALA A 35 -0.108 6.534 38.009 1.00 0.22 N ATOM 551 CA ALA A 35 -0.056 6.785 36.539 1.00 0.28 C ATOM 552 C ALA A 35 0.453 5.546 35.798 1.00 0.20 C ATOM 553 O ALA A 35 1.515 5.029 36.084 1.00 0.16 O ATOM 554 CB ALA A 35 0.921 7.950 36.373 1.00 0.36 C ATOM 0 H ALA A 35 0.795 6.531 38.483 1.00 0.22 H new ATOM 0 HA ALA A 35 -1.039 7.012 36.127 1.00 0.28 H new ATOM 0 HB1 ALA A 35 1.016 8.198 35.316 1.00 0.36 H new ATOM 0 HB2 ALA A 35 0.548 8.818 36.917 1.00 0.36 H new ATOM 0 HB3 ALA A 35 1.896 7.666 36.768 1.00 0.36 H new ATOM 560 N LEU A 36 -0.249 5.132 34.778 1.00 0.24 N ATOM 561 CA LEU A 36 0.240 4.004 33.932 1.00 0.21 C ATOM 562 C LEU A 36 0.736 4.551 32.595 1.00 0.20 C ATOM 563 O LEU A 36 0.087 5.376 31.987 1.00 0.23 O ATOM 564 CB LEU A 36 -0.984 3.119 33.701 1.00 0.34 C ATOM 565 CG LEU A 36 -1.699 2.849 35.023 1.00 0.45 C ATOM 566 CD1 LEU A 36 -3.131 2.401 34.731 1.00 0.55 C ATOM 567 CD2 LEU A 36 -0.965 1.744 35.784 1.00 0.56 C ATOM 0 H LEU A 36 -1.145 5.528 34.493 1.00 0.24 H new ATOM 0 HA LEU A 36 1.059 3.459 34.401 1.00 0.21 H new ATOM 0 HB2 LEU A 36 -1.666 3.605 33.003 1.00 0.34 H new ATOM 0 HB3 LEU A 36 -0.679 2.177 33.245 1.00 0.34 H new ATOM 0 HG LEU A 36 -1.711 3.756 35.628 1.00 0.45 H new ATOM 0 HD11 LEU A 36 -3.650 2.206 35.670 1.00 0.55 H new ATOM 0 HD12 LEU A 36 -3.653 3.186 34.184 1.00 0.55 H new ATOM 0 HD13 LEU A 36 -3.112 1.491 34.131 1.00 0.55 H new ATOM 0 HD21 LEU A 36 -1.475 1.551 36.728 1.00 0.56 H new ATOM 0 HD22 LEU A 36 -0.955 0.834 35.184 1.00 0.56 H new ATOM 0 HD23 LEU A 36 0.060 2.058 35.983 1.00 0.56 H new ATOM 579 N GLU A 37 1.799 4.016 32.064 1.00 0.19 N ATOM 580 CA GLU A 37 2.218 4.434 30.698 1.00 0.21 C ATOM 581 C GLU A 37 1.864 3.341 29.688 1.00 0.19 C ATOM 582 O GLU A 37 1.930 2.163 29.984 1.00 0.20 O ATOM 583 CB GLU A 37 3.731 4.637 30.777 1.00 0.25 C ATOM 584 CG GLU A 37 4.243 5.185 29.444 1.00 0.26 C ATOM 585 CD GLU A 37 5.767 5.307 29.494 1.00 0.37 C ATOM 586 OE1 GLU A 37 6.335 4.974 30.520 1.00 1.17 O ATOM 587 OE2 GLU A 37 6.340 5.733 28.504 1.00 1.08 O ATOM 0 H GLU A 37 2.390 3.315 32.511 1.00 0.19 H new ATOM 0 HA GLU A 37 1.715 5.344 30.372 1.00 0.21 H new ATOM 0 HB2 GLU A 37 3.974 5.328 31.584 1.00 0.25 H new ATOM 0 HB3 GLU A 37 4.224 3.692 31.007 1.00 0.25 H new ATOM 0 HG2 GLU A 37 3.947 4.524 28.629 1.00 0.26 H new ATOM 0 HG3 GLU A 37 3.796 6.159 29.243 1.00 0.26 H new ATOM 594 N ILE A 38 1.382 3.729 28.542 1.00 0.21 N ATOM 595 CA ILE A 38 0.891 2.729 27.554 1.00 0.20 C ATOM 596 C ILE A 38 1.833 2.661 26.353 1.00 0.20 C ATOM 597 O ILE A 38 2.235 3.670 25.801 1.00 0.24 O ATOM 598 CB ILE A 38 -0.485 3.241 27.125 1.00 0.26 C ATOM 599 CG1 ILE A 38 -1.383 3.383 28.356 1.00 0.80 C ATOM 600 CG2 ILE A 38 -1.117 2.251 26.144 1.00 0.73 C ATOM 601 CD1 ILE A 38 -2.717 4.008 27.947 1.00 0.84 C ATOM 0 H ILE A 38 1.306 4.702 28.245 1.00 0.21 H new ATOM 0 HA ILE A 38 0.842 1.725 27.975 1.00 0.20 H new ATOM 0 HB ILE A 38 -0.376 4.211 26.641 1.00 0.26 H new ATOM 0 HG12 ILE A 38 -1.551 2.407 28.811 1.00 0.80 H new ATOM 0 HG13 ILE A 38 -0.894 4.004 29.106 1.00 0.80 H new ATOM 0 HG21 ILE A 38 -2.097 2.617 25.839 1.00 0.73 H new ATOM 0 HG22 ILE A 38 -0.478 2.150 25.267 1.00 0.73 H new ATOM 0 HG23 ILE A 38 -1.226 1.280 26.627 1.00 0.73 H new ATOM 0 HD11 ILE A 38 -3.356 4.109 28.824 1.00 0.84 H new ATOM 0 HD12 ILE A 38 -2.540 4.992 27.512 1.00 0.84 H new ATOM 0 HD13 ILE A 38 -3.208 3.370 27.212 1.00 0.84 H new ATOM 613 N TYR A 39 2.187 1.470 25.961 1.00 0.19 N ATOM 614 CA TYR A 39 3.112 1.277 24.810 1.00 0.21 C ATOM 615 C TYR A 39 2.378 0.579 23.662 1.00 0.20 C ATOM 616 O TYR A 39 1.448 -0.170 23.880 1.00 0.20 O ATOM 617 CB TYR A 39 4.205 0.359 25.353 1.00 0.24 C ATOM 618 CG TYR A 39 5.211 1.148 26.147 1.00 0.28 C ATOM 619 CD1 TYR A 39 4.833 1.786 27.335 1.00 0.32 C ATOM 620 CD2 TYR A 39 6.527 1.224 25.698 1.00 0.31 C ATOM 621 CE1 TYR A 39 5.781 2.509 28.072 1.00 0.37 C ATOM 622 CE2 TYR A 39 7.477 1.943 26.430 1.00 0.36 C ATOM 623 CZ TYR A 39 7.105 2.587 27.618 1.00 0.39 C ATOM 624 OH TYR A 39 8.042 3.301 28.335 1.00 0.45 O ATOM 0 H TYR A 39 1.868 0.605 26.398 1.00 0.19 H new ATOM 0 HA TYR A 39 3.503 2.219 24.425 1.00 0.21 H new ATOM 0 HB2 TYR A 39 3.761 -0.412 25.982 1.00 0.24 H new ATOM 0 HB3 TYR A 39 4.703 -0.150 24.528 1.00 0.24 H new ATOM 0 HD1 TYR A 39 3.813 1.721 27.683 1.00 0.32 H new ATOM 0 HD2 TYR A 39 6.814 0.727 24.783 1.00 0.31 H new ATOM 0 HE1 TYR A 39 5.492 3.005 28.987 1.00 0.37 H new ATOM 0 HE2 TYR A 39 8.497 2.002 26.080 1.00 0.36 H new ATOM 0 HH TYR A 39 8.909 3.251 27.881 1.00 0.45 H new ATOM 634 N VAL A 40 2.855 0.722 22.458 1.00 0.21 N ATOM 635 CA VAL A 40 2.245 -0.043 21.332 1.00 0.22 C ATOM 636 C VAL A 40 3.323 -0.771 20.524 1.00 0.22 C ATOM 637 O VAL A 40 4.265 -0.173 20.042 1.00 0.23 O ATOM 638 CB VAL A 40 1.544 1.005 20.471 1.00 0.25 C ATOM 639 CG1 VAL A 40 0.996 0.341 19.206 1.00 0.27 C ATOM 640 CG2 VAL A 40 0.387 1.614 21.265 1.00 0.27 C ATOM 0 H VAL A 40 3.634 1.330 22.204 1.00 0.21 H new ATOM 0 HA VAL A 40 1.554 -0.808 21.688 1.00 0.22 H new ATOM 0 HB VAL A 40 2.252 1.786 20.194 1.00 0.25 H new ATOM 0 HG11 VAL A 40 0.495 1.088 18.591 1.00 0.27 H new ATOM 0 HG12 VAL A 40 1.817 -0.102 18.643 1.00 0.27 H new ATOM 0 HG13 VAL A 40 0.285 -0.437 19.483 1.00 0.27 H new ATOM 0 HG21 VAL A 40 -0.118 2.363 20.655 1.00 0.27 H new ATOM 0 HG22 VAL A 40 -0.320 0.830 21.536 1.00 0.27 H new ATOM 0 HG23 VAL A 40 0.774 2.083 22.170 1.00 0.27 H new ATOM 650 N ASP A 41 3.172 -2.056 20.347 1.00 0.21 N ATOM 651 CA ASP A 41 4.160 -2.825 19.539 1.00 0.22 C ATOM 652 C ASP A 41 3.460 -3.965 18.794 1.00 0.25 C ATOM 653 O ASP A 41 2.751 -4.755 19.381 1.00 0.27 O ATOM 654 CB ASP A 41 5.156 -3.385 20.556 1.00 0.20 C ATOM 655 CG ASP A 41 4.502 -4.523 21.340 1.00 1.01 C ATOM 656 OD1 ASP A 41 3.319 -4.421 21.621 1.00 1.77 O ATOM 657 OD2 ASP A 41 5.194 -5.482 21.641 1.00 1.69 O ATOM 0 H ASP A 41 2.404 -2.608 20.729 1.00 0.21 H new ATOM 0 HA ASP A 41 4.649 -2.205 18.788 1.00 0.22 H new ATOM 0 HB2 ASP A 41 6.048 -3.747 20.045 1.00 0.20 H new ATOM 0 HB3 ASP A 41 5.477 -2.597 21.238 1.00 0.20 H new ATOM 662 N ASP A 42 3.716 -4.109 17.524 1.00 0.27 N ATOM 663 CA ASP A 42 3.135 -5.255 16.767 1.00 0.33 C ATOM 664 C ASP A 42 1.641 -5.423 17.083 1.00 0.33 C ATOM 665 O ASP A 42 1.166 -6.519 17.298 1.00 0.37 O ATOM 666 CB ASP A 42 3.924 -6.470 17.244 1.00 0.38 C ATOM 667 CG ASP A 42 3.357 -7.737 16.603 1.00 0.45 C ATOM 668 OD1 ASP A 42 2.513 -7.609 15.732 1.00 1.14 O ATOM 669 OD2 ASP A 42 3.777 -8.814 16.992 1.00 1.22 O ATOM 0 H ASP A 42 4.304 -3.481 16.975 1.00 0.27 H new ATOM 0 HA ASP A 42 3.204 -5.111 15.689 1.00 0.33 H new ATOM 0 HB2 ASP A 42 4.976 -6.358 16.982 1.00 0.38 H new ATOM 0 HB3 ASP A 42 3.872 -6.546 18.330 1.00 0.38 H new ATOM 674 N GLU A 43 0.888 -4.356 17.037 1.00 0.30 N ATOM 675 CA GLU A 43 -0.589 -4.462 17.244 1.00 0.31 C ATOM 676 C GLU A 43 -0.900 -4.997 18.645 1.00 0.30 C ATOM 677 O GLU A 43 -2.035 -5.286 18.972 1.00 0.31 O ATOM 678 CB GLU A 43 -1.075 -5.441 16.173 1.00 0.35 C ATOM 679 CG GLU A 43 -2.605 -5.462 16.156 1.00 1.17 C ATOM 680 CD GLU A 43 -3.091 -6.510 15.152 1.00 1.34 C ATOM 681 OE1 GLU A 43 -2.251 -7.166 14.559 1.00 1.68 O ATOM 682 OE2 GLU A 43 -4.293 -6.639 14.996 1.00 1.93 O ATOM 0 H GLU A 43 1.232 -3.411 16.864 1.00 0.30 H new ATOM 0 HA GLU A 43 -1.082 -3.493 17.163 1.00 0.31 H new ATOM 0 HB2 GLU A 43 -0.694 -5.145 15.195 1.00 0.35 H new ATOM 0 HB3 GLU A 43 -0.689 -6.440 16.377 1.00 0.35 H new ATOM 0 HG2 GLU A 43 -2.987 -5.692 17.151 1.00 1.17 H new ATOM 0 HG3 GLU A 43 -2.990 -4.479 15.886 1.00 1.17 H new ATOM 689 N LYS A 44 0.082 -5.065 19.496 1.00 0.29 N ATOM 690 CA LYS A 44 -0.171 -5.501 20.898 1.00 0.30 C ATOM 691 C LYS A 44 0.071 -4.333 21.858 1.00 0.27 C ATOM 692 O LYS A 44 0.827 -3.430 21.568 1.00 0.26 O ATOM 693 CB LYS A 44 0.833 -6.624 21.157 1.00 0.34 C ATOM 694 CG LYS A 44 0.588 -7.769 20.171 1.00 1.29 C ATOM 695 CD LYS A 44 1.400 -8.993 20.597 1.00 1.23 C ATOM 696 CE LYS A 44 2.893 -8.665 20.532 1.00 1.90 C ATOM 697 NZ LYS A 44 3.538 -9.624 21.471 1.00 2.01 N ATOM 0 H LYS A 44 1.053 -4.837 19.282 1.00 0.29 H new ATOM 0 HA LYS A 44 -1.197 -5.835 21.049 1.00 0.30 H new ATOM 0 HB2 LYS A 44 1.850 -6.248 21.048 1.00 0.34 H new ATOM 0 HB3 LYS A 44 0.734 -6.985 22.181 1.00 0.34 H new ATOM 0 HG2 LYS A 44 -0.473 -8.016 20.141 1.00 1.29 H new ATOM 0 HG3 LYS A 44 0.873 -7.463 19.164 1.00 1.29 H new ATOM 0 HD2 LYS A 44 1.126 -9.290 21.609 1.00 1.23 H new ATOM 0 HD3 LYS A 44 1.174 -9.837 19.945 1.00 1.23 H new ATOM 0 HE2 LYS A 44 3.280 -8.783 19.520 1.00 1.90 H new ATOM 0 HE3 LYS A 44 3.084 -7.633 20.828 1.00 1.90 H new ATOM 0 HZ1 LYS A 44 4.565 -9.462 21.482 1.00 2.01 H new ATOM 0 HZ2 LYS A 44 3.155 -9.484 22.428 1.00 2.01 H new ATOM 0 HZ3 LYS A 44 3.345 -10.597 21.160 1.00 2.01 H new ATOM 711 N ILE A 45 -0.610 -4.312 22.969 1.00 0.28 N ATOM 712 CA ILE A 45 -0.464 -3.162 23.907 1.00 0.27 C ATOM 713 C ILE A 45 0.442 -3.546 25.081 1.00 0.27 C ATOM 714 O ILE A 45 0.216 -4.533 25.750 1.00 0.29 O ATOM 715 CB ILE A 45 -1.882 -2.887 24.404 1.00 0.30 C ATOM 716 CG1 ILE A 45 -2.807 -2.669 23.205 1.00 0.34 C ATOM 717 CG2 ILE A 45 -1.882 -1.634 25.281 1.00 0.29 C ATOM 718 CD1 ILE A 45 -4.263 -2.728 23.670 1.00 1.25 C ATOM 0 H ILE A 45 -1.260 -5.039 23.269 1.00 0.28 H new ATOM 0 HA ILE A 45 -0.015 -2.292 23.429 1.00 0.27 H new ATOM 0 HB ILE A 45 -2.234 -3.738 24.987 1.00 0.30 H new ATOM 0 HG12 ILE A 45 -2.600 -1.704 22.743 1.00 0.34 H new ATOM 0 HG13 ILE A 45 -2.624 -3.431 22.447 1.00 0.34 H new ATOM 0 HG21 ILE A 45 -2.894 -1.438 25.635 1.00 0.29 H new ATOM 0 HG22 ILE A 45 -1.222 -1.787 26.135 1.00 0.29 H new ATOM 0 HG23 ILE A 45 -1.530 -0.782 24.699 1.00 0.29 H new ATOM 0 HD11 ILE A 45 -4.924 -2.573 22.817 1.00 1.25 H new ATOM 0 HD12 ILE A 45 -4.464 -3.704 24.112 1.00 1.25 H new ATOM 0 HD13 ILE A 45 -4.440 -1.950 24.412 1.00 1.25 H new ATOM 730 N ILE A 46 1.426 -2.741 25.372 1.00 0.26 N ATOM 731 CA ILE A 46 2.301 -3.020 26.548 1.00 0.29 C ATOM 732 C ILE A 46 2.092 -1.954 27.627 1.00 0.29 C ATOM 733 O ILE A 46 2.285 -0.781 27.400 1.00 0.31 O ATOM 734 CB ILE A 46 3.727 -2.961 25.993 1.00 0.32 C ATOM 735 CG1 ILE A 46 3.975 -4.182 25.107 1.00 0.44 C ATOM 736 CG2 ILE A 46 4.736 -2.946 27.144 1.00 0.37 C ATOM 737 CD1 ILE A 46 5.009 -3.828 24.040 1.00 0.50 C ATOM 0 H ILE A 46 1.663 -1.900 24.846 1.00 0.26 H new ATOM 0 HA ILE A 46 2.084 -3.982 27.013 1.00 0.29 H new ATOM 0 HB ILE A 46 3.848 -2.051 25.405 1.00 0.32 H new ATOM 0 HG12 ILE A 46 4.329 -5.018 25.710 1.00 0.44 H new ATOM 0 HG13 ILE A 46 3.044 -4.500 24.637 1.00 0.44 H new ATOM 0 HG21 ILE A 46 5.748 -2.904 26.740 1.00 0.37 H new ATOM 0 HG22 ILE A 46 4.559 -2.073 27.772 1.00 0.37 H new ATOM 0 HG23 ILE A 46 4.621 -3.851 27.741 1.00 0.37 H new ATOM 0 HD11 ILE A 46 5.189 -4.696 23.406 1.00 0.50 H new ATOM 0 HD12 ILE A 46 4.636 -3.005 23.431 1.00 0.50 H new ATOM 0 HD13 ILE A 46 5.941 -3.530 24.521 1.00 0.50 H new ATOM 749 N LEU A 47 1.690 -2.353 28.801 1.00 0.28 N ATOM 750 CA LEU A 47 1.466 -1.356 29.888 1.00 0.29 C ATOM 751 C LEU A 47 2.502 -1.544 30.996 1.00 0.31 C ATOM 752 O LEU A 47 2.749 -2.645 31.445 1.00 0.39 O ATOM 753 CB LEU A 47 0.067 -1.650 30.425 1.00 0.34 C ATOM 754 CG LEU A 47 -0.957 -1.556 29.292 1.00 0.90 C ATOM 755 CD1 LEU A 47 -0.903 -2.827 28.442 1.00 1.66 C ATOM 756 CD2 LEU A 47 -2.358 -1.403 29.887 1.00 1.24 C ATOM 0 H LEU A 47 1.507 -3.323 29.056 1.00 0.28 H new ATOM 0 HA LEU A 47 1.558 -0.332 29.526 1.00 0.29 H new ATOM 0 HB2 LEU A 47 0.040 -2.645 30.869 1.00 0.34 H new ATOM 0 HB3 LEU A 47 -0.185 -0.942 31.214 1.00 0.34 H new ATOM 0 HG LEU A 47 -0.727 -0.693 28.667 1.00 0.90 H new ATOM 0 HD11 LEU A 47 -1.633 -2.757 27.636 1.00 1.66 H new ATOM 0 HD12 LEU A 47 0.095 -2.939 28.018 1.00 1.66 H new ATOM 0 HD13 LEU A 47 -1.132 -3.691 29.065 1.00 1.66 H new ATOM 0 HD21 LEU A 47 -3.090 -1.336 29.082 1.00 1.24 H new ATOM 0 HD22 LEU A 47 -2.584 -2.267 30.512 1.00 1.24 H new ATOM 0 HD23 LEU A 47 -2.400 -0.497 30.492 1.00 1.24 H new ATOM 768 N LYS A 48 3.086 -0.477 31.455 1.00 0.29 N ATOM 769 CA LYS A 48 4.084 -0.589 32.558 1.00 0.35 C ATOM 770 C LYS A 48 3.937 0.581 33.530 1.00 0.28 C ATOM 771 O LYS A 48 3.346 1.592 33.210 1.00 0.25 O ATOM 772 CB LYS A 48 5.451 -0.544 31.872 1.00 0.47 C ATOM 773 CG LYS A 48 5.684 0.840 31.260 1.00 0.65 C ATOM 774 CD LYS A 48 7.062 0.872 30.599 1.00 0.85 C ATOM 775 CE LYS A 48 7.616 2.297 30.645 1.00 1.54 C ATOM 776 NZ LYS A 48 7.749 2.611 32.095 1.00 1.74 N ATOM 0 H LYS A 48 2.918 0.470 31.116 1.00 0.29 H new ATOM 0 HA LYS A 48 3.949 -1.503 33.137 1.00 0.35 H new ATOM 0 HB2 LYS A 48 6.237 -0.769 32.593 1.00 0.47 H new ATOM 0 HB3 LYS A 48 5.503 -1.307 31.096 1.00 0.47 H new ATOM 0 HG2 LYS A 48 4.910 1.061 30.525 1.00 0.65 H new ATOM 0 HG3 LYS A 48 5.620 1.607 32.031 1.00 0.65 H new ATOM 0 HD2 LYS A 48 7.740 0.190 31.113 1.00 0.85 H new ATOM 0 HD3 LYS A 48 6.990 0.532 29.566 1.00 0.85 H new ATOM 0 HE2 LYS A 48 8.578 2.363 30.137 1.00 1.54 H new ATOM 0 HE3 LYS A 48 6.945 2.998 30.149 1.00 1.54 H new ATOM 0 HZ1 LYS A 48 8.454 3.365 32.224 1.00 1.74 H new ATOM 0 HZ2 LYS A 48 6.831 2.928 32.467 1.00 1.74 H new ATOM 0 HZ3 LYS A 48 8.055 1.760 32.608 1.00 1.74 H new ATOM 790 N LYS A 49 4.516 0.478 34.695 1.00 0.28 N ATOM 791 CA LYS A 49 4.458 1.620 35.652 1.00 0.25 C ATOM 792 C LYS A 49 5.038 2.874 35.002 1.00 0.22 C ATOM 793 O LYS A 49 5.912 2.801 34.161 1.00 0.24 O ATOM 794 CB LYS A 49 5.312 1.191 36.843 1.00 0.29 C ATOM 795 CG LYS A 49 5.278 2.281 37.915 1.00 0.30 C ATOM 796 CD LYS A 49 3.929 2.245 38.636 1.00 0.54 C ATOM 797 CE LYS A 49 3.916 3.297 39.749 1.00 1.08 C ATOM 798 NZ LYS A 49 3.353 4.521 39.114 1.00 1.65 N ATOM 0 H LYS A 49 5.024 -0.343 35.025 1.00 0.28 H new ATOM 0 HA LYS A 49 3.437 1.855 35.952 1.00 0.25 H new ATOM 0 HB2 LYS A 49 4.939 0.252 37.252 1.00 0.29 H new ATOM 0 HB3 LYS A 49 6.339 1.013 36.523 1.00 0.29 H new ATOM 0 HG2 LYS A 49 6.088 2.130 38.629 1.00 0.30 H new ATOM 0 HG3 LYS A 49 5.433 3.259 37.459 1.00 0.30 H new ATOM 0 HD2 LYS A 49 3.122 2.438 37.929 1.00 0.54 H new ATOM 0 HD3 LYS A 49 3.755 1.254 39.056 1.00 0.54 H new ATOM 0 HE2 LYS A 49 3.305 2.973 40.592 1.00 1.08 H new ATOM 0 HE3 LYS A 49 4.920 3.478 40.133 1.00 1.08 H new ATOM 0 HZ1 LYS A 49 3.312 5.288 39.815 1.00 1.65 H new ATOM 0 HZ2 LYS A 49 3.959 4.810 38.319 1.00 1.65 H new ATOM 0 HZ3 LYS A 49 2.395 4.321 38.764 1.00 1.65 H new ATOM 812 N TYR A 50 4.508 4.014 35.328 1.00 0.20 N ATOM 813 CA TYR A 50 4.974 5.264 34.665 1.00 0.21 C ATOM 814 C TYR A 50 5.922 6.040 35.582 1.00 0.22 C ATOM 815 O TYR A 50 5.513 6.615 36.571 1.00 0.22 O ATOM 816 CB TYR A 50 3.701 6.069 34.408 1.00 0.20 C ATOM 817 CG TYR A 50 4.055 7.379 33.746 1.00 0.23 C ATOM 818 CD1 TYR A 50 5.093 7.433 32.809 1.00 0.26 C ATOM 819 CD2 TYR A 50 3.350 8.540 34.077 1.00 0.24 C ATOM 820 CE1 TYR A 50 5.423 8.649 32.201 1.00 0.30 C ATOM 821 CE2 TYR A 50 3.678 9.756 33.470 1.00 0.28 C ATOM 822 CZ TYR A 50 4.715 9.812 32.531 1.00 0.30 C ATOM 823 OH TYR A 50 5.041 11.012 31.932 1.00 0.35 O ATOM 0 H TYR A 50 3.773 4.138 36.024 1.00 0.20 H new ATOM 0 HA TYR A 50 5.526 5.060 33.747 1.00 0.21 H new ATOM 0 HB2 TYR A 50 3.021 5.501 33.773 1.00 0.20 H new ATOM 0 HB3 TYR A 50 3.180 6.254 35.347 1.00 0.20 H new ATOM 0 HD1 TYR A 50 5.639 6.536 32.555 1.00 0.26 H new ATOM 0 HD2 TYR A 50 2.551 8.498 34.802 1.00 0.24 H new ATOM 0 HE1 TYR A 50 6.224 8.691 31.477 1.00 0.30 H new ATOM 0 HE2 TYR A 50 3.132 10.652 33.725 1.00 0.28 H new ATOM 0 HH TYR A 50 4.452 11.718 32.272 1.00 0.35 H new ATOM 833 N LYS A 51 7.165 6.151 35.198 1.00 0.25 N ATOM 834 CA LYS A 51 8.112 6.997 35.975 1.00 0.29 C ATOM 835 C LYS A 51 8.266 8.358 35.290 1.00 0.32 C ATOM 836 O LYS A 51 8.635 8.429 34.134 1.00 0.35 O ATOM 837 CB LYS A 51 9.436 6.233 35.956 1.00 0.33 C ATOM 838 CG LYS A 51 10.158 6.430 37.290 1.00 1.43 C ATOM 839 CD LYS A 51 11.071 5.231 37.558 1.00 1.91 C ATOM 840 CE LYS A 51 12.424 5.458 36.880 1.00 2.76 C ATOM 841 NZ LYS A 51 13.345 5.851 37.982 1.00 3.21 N ATOM 0 H LYS A 51 7.564 5.692 34.379 1.00 0.25 H new ATOM 0 HA LYS A 51 7.769 7.183 36.993 1.00 0.29 H new ATOM 0 HB2 LYS A 51 9.254 5.173 35.782 1.00 0.33 H new ATOM 0 HB3 LYS A 51 10.061 6.588 35.136 1.00 0.33 H new ATOM 0 HG2 LYS A 51 10.744 7.349 37.266 1.00 1.43 H new ATOM 0 HG3 LYS A 51 9.432 6.535 38.096 1.00 1.43 H new ATOM 0 HD2 LYS A 51 11.208 5.097 38.631 1.00 1.91 H new ATOM 0 HD3 LYS A 51 10.611 4.318 37.179 1.00 1.91 H new ATOM 0 HE2 LYS A 51 12.771 4.554 36.379 1.00 2.76 H new ATOM 0 HE3 LYS A 51 12.360 6.238 36.122 1.00 2.76 H new ATOM 0 HZ1 LYS A 51 14.295 6.024 37.595 1.00 3.21 H new ATOM 0 HZ2 LYS A 51 12.993 6.718 38.436 1.00 3.21 H new ATOM 0 HZ3 LYS A 51 13.391 5.086 38.685 1.00 3.21 H new ATOM 855 N PRO A 52 7.981 9.397 36.025 1.00 0.33 N ATOM 856 CA PRO A 52 8.095 10.768 35.471 1.00 0.39 C ATOM 857 C PRO A 52 9.534 11.041 35.027 1.00 0.46 C ATOM 858 O PRO A 52 10.478 10.541 35.607 1.00 0.48 O ATOM 859 CB PRO A 52 7.704 11.679 36.636 1.00 0.41 C ATOM 860 CG PRO A 52 7.020 10.794 37.633 1.00 0.40 C ATOM 861 CD PRO A 52 7.532 9.396 37.418 1.00 0.33 C ATOM 0 HA PRO A 52 7.465 10.924 34.595 1.00 0.39 H new ATOM 0 HB2 PRO A 52 8.582 12.154 37.073 1.00 0.41 H new ATOM 0 HB3 PRO A 52 7.042 12.478 36.303 1.00 0.41 H new ATOM 0 HG2 PRO A 52 7.229 11.127 38.649 1.00 0.40 H new ATOM 0 HG3 PRO A 52 5.939 10.831 37.501 1.00 0.40 H new ATOM 0 HD2 PRO A 52 8.348 9.160 38.101 1.00 0.33 H new ATOM 0 HD3 PRO A 52 6.751 8.654 37.586 1.00 0.33 H new ATOM 869 N ASN A 53 9.711 11.820 33.996 1.00 0.61 N ATOM 870 CA ASN A 53 11.091 12.111 33.509 1.00 0.71 C ATOM 871 C ASN A 53 11.767 13.140 34.419 1.00 1.19 C ATOM 872 O ASN A 53 11.349 13.260 35.559 1.00 1.61 O ATOM 873 CB ASN A 53 10.903 12.679 32.102 1.00 1.36 C ATOM 874 CG ASN A 53 9.927 11.796 31.323 1.00 1.76 C ATOM 875 OD1 ASN A 53 9.147 12.285 30.530 1.00 2.14 O ATOM 876 ND2 ASN A 53 9.936 10.505 31.516 1.00 2.41 N ATOM 877 OXT ASN A 53 12.691 13.791 33.960 1.00 1.98 O ATOM 0 H ASN A 53 8.961 12.268 33.469 1.00 0.61 H new ATOM 0 HA ASN A 53 11.725 11.224 33.508 1.00 0.71 H new ATOM 0 HB2 ASN A 53 10.523 13.699 32.158 1.00 1.36 H new ATOM 0 HB3 ASN A 53 11.862 12.724 31.585 1.00 1.36 H new ATOM 0 HD21 ASN A 53 9.289 9.908 31.001 1.00 2.41 H new ATOM 0 HD22 ASN A 53 10.590 10.093 32.181 1.00 2.41 H new TER 884 ASN A 53 ATOM 885 N PHE B 2 13.130 2.797 13.908 1.00 9.08 N ATOM 886 CA PHE B 2 12.410 4.007 13.415 1.00 8.67 C ATOM 887 C PHE B 2 11.066 4.154 14.133 1.00 7.72 C ATOM 888 O PHE B 2 10.647 5.243 14.470 1.00 7.64 O ATOM 889 CB PHE B 2 12.196 3.760 11.922 1.00 9.22 C ATOM 890 CG PHE B 2 11.586 4.989 11.291 1.00 10.46 C ATOM 891 CD1 PHE B 2 12.409 6.041 10.870 1.00 10.87 C ATOM 892 CD2 PHE B 2 10.199 5.076 11.127 1.00 10.89 C ATOM 893 CE1 PHE B 2 11.844 7.181 10.286 1.00 11.64 C ATOM 894 CE2 PHE B 2 9.634 6.216 10.542 1.00 11.66 C ATOM 895 CZ PHE B 2 10.456 7.268 10.122 1.00 11.60 C ATOM 0 HA PHE B 2 12.970 4.924 13.600 1.00 8.67 H new ATOM 0 HB2 PHE B 2 13.146 3.525 11.442 1.00 9.22 H new ATOM 0 HB3 PHE B 2 11.543 2.900 11.775 1.00 9.22 H new ATOM 0 HD1 PHE B 2 13.479 5.973 10.996 1.00 10.87 H new ATOM 0 HD2 PHE B 2 9.565 4.264 11.451 1.00 10.89 H new ATOM 0 HE1 PHE B 2 12.478 7.993 9.962 1.00 11.64 H new ATOM 0 HE2 PHE B 2 8.564 6.283 10.415 1.00 11.66 H new ATOM 0 HZ PHE B 2 10.020 8.147 9.671 1.00 11.60 H new ATOM 905 N MET B 3 10.378 3.066 14.354 1.00 7.25 N ATOM 906 CA MET B 3 9.052 3.149 15.031 1.00 6.59 C ATOM 907 C MET B 3 9.226 3.053 16.550 1.00 5.73 C ATOM 908 O MET B 3 10.042 2.301 17.045 1.00 5.45 O ATOM 909 CB MET B 3 8.264 1.948 14.506 1.00 6.98 C ATOM 910 CG MET B 3 8.022 2.113 13.004 1.00 7.76 C ATOM 911 SD MET B 3 6.982 0.758 12.408 1.00 8.62 S ATOM 912 CE MET B 3 7.031 1.190 10.652 1.00 8.70 C ATOM 0 H MET B 3 10.676 2.125 14.096 1.00 7.25 H new ATOM 0 HA MET B 3 8.543 4.092 14.828 1.00 6.59 H new ATOM 0 HB2 MET B 3 8.814 1.027 14.697 1.00 6.98 H new ATOM 0 HB3 MET B 3 7.313 1.866 15.032 1.00 6.98 H new ATOM 0 HG2 MET B 3 7.540 3.070 12.806 1.00 7.76 H new ATOM 0 HG3 MET B 3 8.972 2.118 12.470 1.00 7.76 H new ATOM 0 HE1 MET B 3 6.442 0.470 10.084 1.00 8.70 H new ATOM 0 HE2 MET B 3 6.618 2.189 10.511 1.00 8.70 H new ATOM 0 HE3 MET B 3 8.063 1.172 10.301 1.00 8.70 H new ATOM 922 N LYS B 4 8.473 3.820 17.291 1.00 5.69 N ATOM 923 CA LYS B 4 8.606 3.784 18.776 1.00 5.34 C ATOM 924 C LYS B 4 7.224 3.695 19.429 1.00 4.61 C ATOM 925 O LYS B 4 6.212 3.932 18.798 1.00 4.72 O ATOM 926 CB LYS B 4 9.288 5.102 19.144 1.00 6.20 C ATOM 927 CG LYS B 4 8.322 6.263 18.896 1.00 6.74 C ATOM 928 CD LYS B 4 9.043 7.590 19.141 1.00 7.81 C ATOM 929 CE LYS B 4 8.016 8.723 19.214 1.00 8.51 C ATOM 930 NZ LYS B 4 7.309 8.683 17.903 1.00 9.17 N ATOM 0 H LYS B 4 7.772 4.469 16.933 1.00 5.69 H new ATOM 0 HA LYS B 4 9.175 2.920 19.119 1.00 5.34 H new ATOM 0 HB2 LYS B 4 9.593 5.086 20.190 1.00 6.20 H new ATOM 0 HB3 LYS B 4 10.192 5.234 18.550 1.00 6.20 H new ATOM 0 HG2 LYS B 4 7.946 6.225 17.874 1.00 6.74 H new ATOM 0 HG3 LYS B 4 7.459 6.179 19.556 1.00 6.74 H new ATOM 0 HD2 LYS B 4 9.613 7.541 20.069 1.00 7.81 H new ATOM 0 HD3 LYS B 4 9.756 7.782 18.339 1.00 7.81 H new ATOM 0 HE2 LYS B 4 7.322 8.575 20.042 1.00 8.51 H new ATOM 0 HE3 LYS B 4 8.501 9.686 19.372 1.00 8.51 H new ATOM 0 HZ1 LYS B 4 6.889 9.614 17.706 1.00 9.17 H new ATOM 0 HZ2 LYS B 4 7.986 8.443 17.151 1.00 9.17 H new ATOM 0 HZ3 LYS B 4 6.558 7.964 17.935 1.00 9.17 H new ATOM 944 N SER B 5 7.173 3.364 20.690 1.00 4.27 N ATOM 945 CA SER B 5 5.857 3.270 21.384 1.00 3.86 C ATOM 946 C SER B 5 5.169 4.638 21.401 1.00 2.80 C ATOM 947 O SER B 5 5.808 5.667 21.299 1.00 3.02 O ATOM 948 CB SER B 5 6.191 2.821 22.806 1.00 4.70 C ATOM 949 OG SER B 5 6.913 1.598 22.755 1.00 5.20 O ATOM 0 H SER B 5 7.985 3.155 21.270 1.00 4.27 H new ATOM 0 HA SER B 5 5.176 2.579 20.887 1.00 3.86 H new ATOM 0 HB2 SER B 5 6.782 3.585 23.311 1.00 4.70 H new ATOM 0 HB3 SER B 5 5.276 2.692 23.384 1.00 4.70 H new ATOM 0 HG SER B 5 7.720 1.671 23.306 1.00 5.20 H new ATOM 955 N THR B 6 3.869 4.658 21.524 1.00 2.20 N ATOM 956 CA THR B 6 3.142 5.959 21.541 1.00 1.59 C ATOM 957 C THR B 6 3.557 6.781 22.764 1.00 1.19 C ATOM 958 O THR B 6 3.682 7.987 22.699 1.00 1.95 O ATOM 959 CB THR B 6 1.661 5.583 21.623 1.00 2.29 C ATOM 960 OG1 THR B 6 1.411 4.918 22.853 1.00 2.98 O ATOM 961 CG2 THR B 6 1.302 4.661 20.458 1.00 2.91 C ATOM 0 H THR B 6 3.280 3.830 21.613 1.00 2.20 H new ATOM 0 HA THR B 6 3.360 6.566 20.663 1.00 1.59 H new ATOM 0 HB THR B 6 1.052 6.485 21.568 1.00 2.29 H new ATOM 0 HG1 THR B 6 0.462 4.678 22.908 1.00 2.98 H new ATOM 0 HG21 THR B 6 0.247 4.394 20.517 1.00 2.91 H new ATOM 0 HG22 THR B 6 1.494 5.174 19.516 1.00 2.91 H new ATOM 0 HG23 THR B 6 1.909 3.757 20.509 1.00 2.91 H new ATOM 969 N GLY B 7 3.816 6.133 23.867 1.00 0.83 N ATOM 970 CA GLY B 7 4.275 6.877 25.075 1.00 0.45 C ATOM 971 C GLY B 7 3.116 7.699 25.642 1.00 0.43 C ATOM 972 O GLY B 7 3.264 8.866 25.948 1.00 0.49 O ATOM 0 H GLY B 7 3.730 5.123 23.984 1.00 0.83 H new ATOM 0 HA2 GLY B 7 4.641 6.179 25.827 1.00 0.45 H new ATOM 0 HA3 GLY B 7 5.107 7.532 24.817 1.00 0.45 H new ATOM 976 N ILE B 8 1.964 7.105 25.786 1.00 0.37 N ATOM 977 CA ILE B 8 0.800 7.867 26.334 1.00 0.37 C ATOM 978 C ILE B 8 0.384 7.287 27.687 1.00 0.32 C ATOM 979 O ILE B 8 0.361 6.093 27.870 1.00 0.30 O ATOM 980 CB ILE B 8 -0.318 7.683 25.310 1.00 0.40 C ATOM 981 CG1 ILE B 8 0.180 8.112 23.928 1.00 0.45 C ATOM 982 CG2 ILE B 8 -1.518 8.546 25.707 1.00 0.43 C ATOM 983 CD1 ILE B 8 -0.896 7.815 22.883 1.00 1.36 C ATOM 0 H ILE B 8 1.776 6.131 25.550 1.00 0.37 H new ATOM 0 HA ILE B 8 1.035 8.919 26.493 1.00 0.37 H new ATOM 0 HB ILE B 8 -0.615 6.635 25.281 1.00 0.40 H new ATOM 0 HG12 ILE B 8 0.417 9.176 23.929 1.00 0.45 H new ATOM 0 HG13 ILE B 8 1.099 7.581 23.680 1.00 0.45 H new ATOM 0 HG21 ILE B 8 -2.317 8.416 24.977 1.00 0.43 H new ATOM 0 HG22 ILE B 8 -1.874 8.244 26.692 1.00 0.43 H new ATOM 0 HG23 ILE B 8 -1.219 9.594 25.735 1.00 0.43 H new ATOM 0 HD11 ILE B 8 -0.541 8.121 21.899 1.00 1.36 H new ATOM 0 HD12 ILE B 8 -1.111 6.746 22.876 1.00 1.36 H new ATOM 0 HD13 ILE B 8 -1.804 8.366 23.129 1.00 1.36 H new ATOM 995 N VAL B 9 0.146 8.121 28.659 1.00 0.32 N ATOM 996 CA VAL B 9 -0.160 7.598 30.024 1.00 0.29 C ATOM 997 C VAL B 9 -1.600 7.931 30.427 1.00 0.32 C ATOM 998 O VAL B 9 -2.110 8.996 30.139 1.00 0.37 O ATOM 999 CB VAL B 9 0.834 8.297 30.951 1.00 0.30 C ATOM 1000 CG1 VAL B 9 0.570 7.871 32.397 1.00 0.27 C ATOM 1001 CG2 VAL B 9 2.261 7.899 30.562 1.00 0.30 C ATOM 0 H VAL B 9 0.149 9.137 28.571 1.00 0.32 H new ATOM 0 HA VAL B 9 -0.070 6.513 30.071 1.00 0.29 H new ATOM 0 HB VAL B 9 0.716 9.377 30.859 1.00 0.30 H new ATOM 0 HG11 VAL B 9 1.279 8.369 33.058 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -0.446 8.149 32.678 1.00 0.27 H new ATOM 0 HG13 VAL B 9 0.689 6.791 32.486 1.00 0.27 H new ATOM 0 HG21 VAL B 9 2.971 8.397 31.223 1.00 0.30 H new ATOM 0 HG22 VAL B 9 2.376 6.819 30.655 1.00 0.30 H new ATOM 0 HG23 VAL B 9 2.454 8.197 29.531 1.00 0.30 H new ATOM 1011 N ARG B 10 -2.237 7.041 31.137 1.00 0.31 N ATOM 1012 CA ARG B 10 -3.623 7.307 31.620 1.00 0.36 C ATOM 1013 C ARG B 10 -3.693 7.103 33.137 1.00 0.31 C ATOM 1014 O ARG B 10 -2.863 6.436 33.718 1.00 0.28 O ATOM 1015 CB ARG B 10 -4.501 6.282 30.899 1.00 0.40 C ATOM 1016 CG ARG B 10 -5.972 6.556 31.218 1.00 0.74 C ATOM 1017 CD ARG B 10 -6.846 5.496 30.543 1.00 0.87 C ATOM 1018 NE ARG B 10 -8.247 5.926 30.813 1.00 1.14 N ATOM 1019 CZ ARG B 10 -8.774 6.907 30.130 1.00 1.37 C ATOM 1020 NH1 ARG B 10 -8.078 7.517 29.209 1.00 1.62 N ATOM 1021 NH2 ARG B 10 -10.002 7.279 30.371 1.00 1.92 N ATOM 0 H ARG B 10 -1.855 6.134 31.406 1.00 0.31 H new ATOM 0 HA ARG B 10 -3.945 8.328 31.417 1.00 0.36 H new ATOM 0 HB2 ARG B 10 -4.335 6.338 29.823 1.00 0.40 H new ATOM 0 HB3 ARG B 10 -4.232 5.273 31.211 1.00 0.40 H new ATOM 0 HG2 ARG B 10 -6.130 6.541 32.296 1.00 0.74 H new ATOM 0 HG3 ARG B 10 -6.252 7.550 30.869 1.00 0.74 H new ATOM 0 HD2 ARG B 10 -6.648 5.444 29.472 1.00 0.87 H new ATOM 0 HD3 ARG B 10 -6.651 4.504 30.952 1.00 0.87 H new ATOM 0 HE ARG B 10 -8.795 5.454 31.532 1.00 1.14 H new ATOM 0 HH11 ARG B 10 -7.118 7.228 29.020 1.00 1.62 H new ATOM 0 HH12 ARG B 10 -8.494 8.282 28.678 1.00 1.62 H new ATOM 0 HH21 ARG B 10 -10.547 6.804 31.091 1.00 1.92 H new ATOM 0 HH22 ARG B 10 -10.417 8.045 29.840 1.00 1.92 H new ATOM 1035 N LYS B 11 -4.655 7.699 33.787 1.00 0.33 N ATOM 1036 CA LYS B 11 -4.746 7.559 35.270 1.00 0.30 C ATOM 1037 C LYS B 11 -5.470 6.260 35.642 1.00 0.26 C ATOM 1038 O LYS B 11 -6.389 5.834 34.970 1.00 0.28 O ATOM 1039 CB LYS B 11 -5.551 8.773 35.737 1.00 0.34 C ATOM 1040 CG LYS B 11 -5.492 8.869 37.262 1.00 1.03 C ATOM 1041 CD LYS B 11 -6.339 10.053 37.733 1.00 1.03 C ATOM 1042 CE LYS B 11 -6.133 10.264 39.234 1.00 1.81 C ATOM 1043 NZ LYS B 11 -6.377 11.717 39.455 1.00 2.21 N ATOM 0 H LYS B 11 -5.380 8.275 33.358 1.00 0.33 H new ATOM 0 HA LYS B 11 -3.762 7.517 35.738 1.00 0.30 H new ATOM 0 HB2 LYS B 11 -5.150 9.682 35.289 1.00 0.34 H new ATOM 0 HB3 LYS B 11 -6.586 8.685 35.407 1.00 0.34 H new ATOM 0 HG2 LYS B 11 -5.859 7.945 37.709 1.00 1.03 H new ATOM 0 HG3 LYS B 11 -4.460 8.994 37.589 1.00 1.03 H new ATOM 0 HD2 LYS B 11 -6.059 10.954 37.187 1.00 1.03 H new ATOM 0 HD3 LYS B 11 -7.392 9.867 37.522 1.00 1.03 H new ATOM 0 HE2 LYS B 11 -6.824 9.655 39.817 1.00 1.81 H new ATOM 0 HE3 LYS B 11 -5.125 9.982 39.538 1.00 1.81 H new ATOM 0 HZ1 LYS B 11 -6.254 11.940 40.463 1.00 2.21 H new ATOM 0 HZ2 LYS B 11 -5.701 12.272 38.893 1.00 2.21 H new ATOM 0 HZ3 LYS B 11 -7.347 11.954 39.163 1.00 2.21 H new ATOM 1057 N VAL B 12 -5.065 5.634 36.714 1.00 0.23 N ATOM 1058 CA VAL B 12 -5.734 4.368 37.139 1.00 0.22 C ATOM 1059 C VAL B 12 -7.015 4.692 37.910 1.00 0.20 C ATOM 1060 O VAL B 12 -7.011 5.494 38.821 1.00 0.20 O ATOM 1061 CB VAL B 12 -4.730 3.674 38.062 1.00 0.21 C ATOM 1062 CG1 VAL B 12 -5.129 2.209 38.242 1.00 0.29 C ATOM 1063 CG2 VAL B 12 -3.327 3.752 37.460 1.00 0.29 C ATOM 0 H VAL B 12 -4.300 5.943 37.314 1.00 0.23 H new ATOM 0 HA VAL B 12 -6.009 3.743 36.290 1.00 0.22 H new ATOM 0 HB VAL B 12 -4.731 4.174 39.031 1.00 0.21 H new ATOM 0 HG11 VAL B 12 -4.414 1.715 38.900 1.00 0.29 H new ATOM 0 HG12 VAL B 12 -6.124 2.155 38.683 1.00 0.29 H new ATOM 0 HG13 VAL B 12 -5.134 1.711 37.272 1.00 0.29 H new ATOM 0 HG21 VAL B 12 -2.618 3.256 38.123 1.00 0.29 H new ATOM 0 HG22 VAL B 12 -3.320 3.259 36.488 1.00 0.29 H new ATOM 0 HG23 VAL B 12 -3.040 4.797 37.339 1.00 0.29 H new ATOM 1073 N ASP B 13 -8.110 4.078 37.558 1.00 0.21 N ATOM 1074 CA ASP B 13 -9.379 4.368 38.280 1.00 0.21 C ATOM 1075 C ASP B 13 -9.478 3.510 39.548 1.00 0.22 C ATOM 1076 O ASP B 13 -8.513 2.907 39.974 1.00 0.23 O ATOM 1077 CB ASP B 13 -10.500 4.040 37.281 1.00 0.22 C ATOM 1078 CG ASP B 13 -10.929 2.577 37.417 1.00 0.32 C ATOM 1079 OD1 ASP B 13 -10.278 1.727 36.838 1.00 0.27 O ATOM 1080 OD2 ASP B 13 -11.901 2.329 38.108 1.00 0.55 O ATOM 0 H ASP B 13 -8.181 3.392 36.806 1.00 0.21 H new ATOM 0 HA ASP B 13 -9.442 5.405 38.611 1.00 0.21 H new ATOM 0 HB2 ASP B 13 -11.355 4.693 37.457 1.00 0.22 H new ATOM 0 HB3 ASP B 13 -10.156 4.231 36.264 1.00 0.22 H new ATOM 1085 N GLU B 14 -10.589 3.571 40.229 1.00 0.23 N ATOM 1086 CA GLU B 14 -10.688 2.898 41.558 1.00 0.26 C ATOM 1087 C GLU B 14 -10.365 1.401 41.460 1.00 0.26 C ATOM 1088 O GLU B 14 -9.814 0.824 42.376 1.00 0.30 O ATOM 1089 CB GLU B 14 -12.141 3.100 41.990 1.00 0.28 C ATOM 1090 CG GLU B 14 -12.414 4.592 42.187 1.00 1.22 C ATOM 1091 CD GLU B 14 -13.848 4.789 42.681 1.00 1.57 C ATOM 1092 OE1 GLU B 14 -14.591 3.820 42.684 1.00 2.19 O ATOM 1093 OE2 GLU B 14 -14.180 5.904 43.049 1.00 1.99 O ATOM 0 H GLU B 14 -11.433 4.057 39.924 1.00 0.23 H new ATOM 0 HA GLU B 14 -9.975 3.314 42.269 1.00 0.26 H new ATOM 0 HB2 GLU B 14 -12.815 2.693 41.236 1.00 0.28 H new ATOM 0 HB3 GLU B 14 -12.334 2.559 42.916 1.00 0.28 H new ATOM 0 HG2 GLU B 14 -11.710 5.009 42.907 1.00 1.22 H new ATOM 0 HG3 GLU B 14 -12.265 5.127 41.249 1.00 1.22 H new ATOM 1100 N LEU B 15 -10.805 0.741 40.425 1.00 0.23 N ATOM 1101 CA LEU B 15 -10.628 -0.742 40.370 1.00 0.25 C ATOM 1102 C LEU B 15 -9.249 -1.124 39.819 1.00 0.23 C ATOM 1103 O LEU B 15 -8.911 -2.288 39.739 1.00 0.25 O ATOM 1104 CB LEU B 15 -11.730 -1.247 39.441 1.00 0.28 C ATOM 1105 CG LEU B 15 -11.551 -2.752 39.219 1.00 0.38 C ATOM 1106 CD1 LEU B 15 -11.334 -3.447 40.568 1.00 1.28 C ATOM 1107 CD2 LEU B 15 -12.805 -3.320 38.551 1.00 1.39 C ATOM 0 H LEU B 15 -11.275 1.157 39.621 1.00 0.23 H new ATOM 0 HA LEU B 15 -10.691 -1.183 41.365 1.00 0.25 H new ATOM 0 HB2 LEU B 15 -12.709 -1.045 39.875 1.00 0.28 H new ATOM 0 HB3 LEU B 15 -11.689 -0.719 38.488 1.00 0.28 H new ATOM 0 HG LEU B 15 -10.686 -2.924 38.579 1.00 0.38 H new ATOM 0 HD11 LEU B 15 -11.207 -4.518 40.409 1.00 1.28 H new ATOM 0 HD12 LEU B 15 -10.442 -3.043 41.046 1.00 1.28 H new ATOM 0 HD13 LEU B 15 -12.199 -3.275 41.209 1.00 1.28 H new ATOM 0 HD21 LEU B 15 -12.679 -4.391 38.392 1.00 1.39 H new ATOM 0 HD22 LEU B 15 -13.669 -3.147 39.193 1.00 1.39 H new ATOM 0 HD23 LEU B 15 -12.961 -2.827 37.592 1.00 1.39 H new ATOM 1119 N GLY B 16 -8.464 -0.173 39.398 1.00 0.21 N ATOM 1120 CA GLY B 16 -7.137 -0.523 38.815 1.00 0.20 C ATOM 1121 C GLY B 16 -7.320 -0.977 37.364 1.00 0.21 C ATOM 1122 O GLY B 16 -6.818 -2.007 36.951 1.00 0.21 O ATOM 0 H GLY B 16 -8.680 0.823 39.431 1.00 0.21 H new ATOM 0 HA2 GLY B 16 -6.471 0.339 38.856 1.00 0.20 H new ATOM 0 HA3 GLY B 16 -6.669 -1.316 39.399 1.00 0.20 H new ATOM 1126 N ARG B 17 -8.074 -0.242 36.595 1.00 0.24 N ATOM 1127 CA ARG B 17 -8.329 -0.655 35.189 1.00 0.27 C ATOM 1128 C ARG B 17 -7.747 0.382 34.226 1.00 0.26 C ATOM 1129 O ARG B 17 -7.602 1.542 34.559 1.00 0.26 O ATOM 1130 CB ARG B 17 -9.852 -0.713 35.066 1.00 0.29 C ATOM 1131 CG ARG B 17 -10.393 -1.828 35.963 1.00 0.29 C ATOM 1132 CD ARG B 17 -11.911 -1.922 35.804 1.00 0.29 C ATOM 1133 NE ARG B 17 -12.436 -0.673 36.418 1.00 0.57 N ATOM 1134 CZ ARG B 17 -13.707 -0.575 36.717 1.00 0.79 C ATOM 1135 NH1 ARG B 17 -14.523 -1.557 36.438 1.00 0.73 N ATOM 1136 NH2 ARG B 17 -14.164 0.503 37.292 1.00 1.14 N ATOM 0 H ARG B 17 -8.525 0.627 36.881 1.00 0.24 H new ATOM 0 HA ARG B 17 -7.866 -1.611 34.944 1.00 0.27 H new ATOM 0 HB2 ARG B 17 -10.288 0.244 35.354 1.00 0.29 H new ATOM 0 HB3 ARG B 17 -10.137 -0.894 34.030 1.00 0.29 H new ATOM 0 HG2 ARG B 17 -9.930 -2.779 35.698 1.00 0.29 H new ATOM 0 HG3 ARG B 17 -10.138 -1.628 37.004 1.00 0.29 H new ATOM 0 HD2 ARG B 17 -12.195 -1.996 34.754 1.00 0.29 H new ATOM 0 HD3 ARG B 17 -12.307 -2.806 36.305 1.00 0.29 H new ATOM 0 HE ARG B 17 -11.806 0.107 36.606 1.00 0.57 H new ATOM 0 HH11 ARG B 17 -14.170 -2.401 35.987 1.00 0.73 H new ATOM 0 HH12 ARG B 17 -15.513 -1.479 36.671 1.00 0.73 H new ATOM 0 HH21 ARG B 17 -13.531 1.272 37.510 1.00 1.14 H new ATOM 0 HH22 ARG B 17 -15.155 0.577 37.524 1.00 1.14 H new ATOM 1150 N VAL B 18 -7.433 -0.023 33.028 1.00 0.26 N ATOM 1151 CA VAL B 18 -6.885 0.943 32.034 1.00 0.26 C ATOM 1152 C VAL B 18 -7.772 0.963 30.790 1.00 0.24 C ATOM 1153 O VAL B 18 -8.431 -0.007 30.474 1.00 0.25 O ATOM 1154 CB VAL B 18 -5.492 0.414 31.692 1.00 0.26 C ATOM 1155 CG1 VAL B 18 -4.661 0.296 32.971 1.00 0.28 C ATOM 1156 CG2 VAL B 18 -5.618 -0.964 31.039 1.00 0.26 C ATOM 0 H VAL B 18 -7.532 -0.981 32.693 1.00 0.26 H new ATOM 0 HA VAL B 18 -6.847 1.962 32.419 1.00 0.26 H new ATOM 0 HB VAL B 18 -5.002 1.102 31.003 1.00 0.26 H new ATOM 0 HG11 VAL B 18 -3.668 -0.081 32.726 1.00 0.28 H new ATOM 0 HG12 VAL B 18 -4.572 1.277 33.439 1.00 0.28 H new ATOM 0 HG13 VAL B 18 -5.150 -0.392 33.661 1.00 0.28 H new ATOM 0 HG21 VAL B 18 -4.626 -1.343 30.794 1.00 0.26 H new ATOM 0 HG22 VAL B 18 -6.108 -1.650 31.729 1.00 0.26 H new ATOM 0 HG23 VAL B 18 -6.210 -0.882 30.127 1.00 0.26 H new ATOM 1166 N VAL B 19 -7.867 2.086 30.135 1.00 0.23 N ATOM 1167 CA VAL B 19 -8.798 2.188 28.977 1.00 0.22 C ATOM 1168 C VAL B 19 -8.019 2.361 27.673 1.00 0.22 C ATOM 1169 O VAL B 19 -7.159 3.213 27.561 1.00 0.24 O ATOM 1170 CB VAL B 19 -9.643 3.429 29.262 1.00 0.22 C ATOM 1171 CG1 VAL B 19 -10.749 3.549 28.212 1.00 0.23 C ATOM 1172 CG2 VAL B 19 -10.269 3.309 30.653 1.00 0.24 C ATOM 0 H VAL B 19 -7.343 2.934 30.350 1.00 0.23 H new ATOM 0 HA VAL B 19 -9.407 1.291 28.861 1.00 0.22 H new ATOM 0 HB VAL B 19 -9.010 4.316 29.222 1.00 0.22 H new ATOM 0 HG11 VAL B 19 -11.351 4.435 28.417 1.00 0.23 H new ATOM 0 HG12 VAL B 19 -10.302 3.635 27.221 1.00 0.23 H new ATOM 0 HG13 VAL B 19 -11.383 2.663 28.249 1.00 0.23 H new ATOM 0 HG21 VAL B 19 -10.872 4.193 30.858 1.00 0.24 H new ATOM 0 HG22 VAL B 19 -10.901 2.422 30.692 1.00 0.24 H new ATOM 0 HG23 VAL B 19 -9.480 3.226 31.401 1.00 0.24 H new ATOM 1182 N ILE B 20 -8.377 1.622 26.660 1.00 0.22 N ATOM 1183 CA ILE B 20 -7.727 1.814 25.334 1.00 0.24 C ATOM 1184 C ILE B 20 -8.434 2.945 24.579 1.00 0.24 C ATOM 1185 O ILE B 20 -9.637 2.934 24.444 1.00 0.23 O ATOM 1186 CB ILE B 20 -7.909 0.468 24.623 1.00 0.23 C ATOM 1187 CG1 ILE B 20 -6.763 -0.468 25.012 1.00 0.29 C ATOM 1188 CG2 ILE B 20 -7.907 0.663 23.104 1.00 0.25 C ATOM 1189 CD1 ILE B 20 -5.426 0.203 24.691 1.00 1.38 C ATOM 0 H ILE B 20 -9.091 0.894 26.693 1.00 0.22 H new ATOM 0 HA ILE B 20 -6.675 2.092 25.402 1.00 0.24 H new ATOM 0 HB ILE B 20 -8.863 0.036 24.924 1.00 0.23 H new ATOM 0 HG12 ILE B 20 -6.817 -0.705 26.075 1.00 0.29 H new ATOM 0 HG13 ILE B 20 -6.849 -1.410 24.470 1.00 0.29 H new ATOM 0 HG21 ILE B 20 -8.037 -0.302 22.613 1.00 0.25 H new ATOM 0 HG22 ILE B 20 -8.724 1.327 22.821 1.00 0.25 H new ATOM 0 HG23 ILE B 20 -6.959 1.102 22.795 1.00 0.25 H new ATOM 0 HD11 ILE B 20 -4.609 -0.463 24.968 1.00 1.38 H new ATOM 0 HD12 ILE B 20 -5.374 0.418 23.624 1.00 1.38 H new ATOM 0 HD13 ILE B 20 -5.342 1.133 25.253 1.00 1.38 H new ATOM 1201 N PRO B 21 -7.655 3.858 24.067 1.00 0.28 N ATOM 1202 CA PRO B 21 -8.221 4.970 23.263 1.00 0.30 C ATOM 1203 C PRO B 21 -9.012 4.407 22.080 1.00 0.28 C ATOM 1204 O PRO B 21 -8.656 3.396 21.511 1.00 0.27 O ATOM 1205 CB PRO B 21 -6.996 5.752 22.779 1.00 0.35 C ATOM 1206 CG PRO B 21 -5.808 4.890 23.081 1.00 0.36 C ATOM 1207 CD PRO B 21 -6.201 3.943 24.183 1.00 0.32 C ATOM 0 HA PRO B 21 -8.909 5.598 23.830 1.00 0.30 H new ATOM 0 HB2 PRO B 21 -7.064 5.962 21.712 1.00 0.35 H new ATOM 0 HB3 PRO B 21 -6.920 6.713 23.289 1.00 0.35 H new ATOM 0 HG2 PRO B 21 -5.500 4.338 22.193 1.00 0.36 H new ATOM 0 HG3 PRO B 21 -4.959 5.502 23.386 1.00 0.36 H new ATOM 0 HD2 PRO B 21 -5.732 2.967 24.058 1.00 0.32 H new ATOM 0 HD3 PRO B 21 -5.899 4.319 25.160 1.00 0.32 H new ATOM 1215 N ILE B 22 -10.111 5.021 21.735 1.00 0.30 N ATOM 1216 CA ILE B 22 -10.945 4.474 20.626 1.00 0.30 C ATOM 1217 C ILE B 22 -10.105 4.321 19.356 1.00 0.33 C ATOM 1218 O ILE B 22 -10.299 3.405 18.583 1.00 0.32 O ATOM 1219 CB ILE B 22 -12.059 5.502 20.419 1.00 0.36 C ATOM 1220 CG1 ILE B 22 -13.178 4.879 19.581 1.00 0.41 C ATOM 1221 CG2 ILE B 22 -11.501 6.728 19.693 1.00 0.43 C ATOM 1222 CD1 ILE B 22 -12.648 4.549 18.184 1.00 1.11 C ATOM 0 H ILE B 22 -10.466 5.873 22.170 1.00 0.30 H new ATOM 0 HA ILE B 22 -11.344 3.487 20.859 1.00 0.30 H new ATOM 0 HB ILE B 22 -12.454 5.806 21.388 1.00 0.36 H new ATOM 0 HG12 ILE B 22 -13.548 3.975 20.064 1.00 0.41 H new ATOM 0 HG13 ILE B 22 -14.019 5.568 19.509 1.00 0.41 H new ATOM 0 HG21 ILE B 22 -12.297 7.458 19.547 1.00 0.43 H new ATOM 0 HG22 ILE B 22 -10.705 7.173 20.290 1.00 0.43 H new ATOM 0 HG23 ILE B 22 -11.103 6.427 18.724 1.00 0.43 H new ATOM 0 HD11 ILE B 22 -13.445 4.105 17.588 1.00 1.11 H new ATOM 0 HD12 ILE B 22 -12.300 5.462 17.702 1.00 1.11 H new ATOM 0 HD13 ILE B 22 -11.821 3.844 18.266 1.00 1.11 H new ATOM 1234 N GLU B 23 -9.143 5.176 19.158 1.00 0.36 N ATOM 1235 CA GLU B 23 -8.266 5.031 17.964 1.00 0.40 C ATOM 1236 C GLU B 23 -7.606 3.650 17.975 1.00 0.37 C ATOM 1237 O GLU B 23 -7.464 3.007 16.953 1.00 0.39 O ATOM 1238 CB GLU B 23 -7.213 6.130 18.111 1.00 0.44 C ATOM 1239 CG GLU B 23 -6.335 6.167 16.859 1.00 1.22 C ATOM 1240 CD GLU B 23 -5.222 7.199 17.047 1.00 1.62 C ATOM 1241 OE1 GLU B 23 -5.167 7.796 18.110 1.00 2.00 O ATOM 1242 OE2 GLU B 23 -4.441 7.374 16.125 1.00 2.37 O ATOM 0 H GLU B 23 -8.926 5.965 19.767 1.00 0.36 H new ATOM 0 HA GLU B 23 -8.815 5.120 17.027 1.00 0.40 H new ATOM 0 HB2 GLU B 23 -7.698 7.095 18.257 1.00 0.44 H new ATOM 0 HB3 GLU B 23 -6.600 5.945 18.993 1.00 0.44 H new ATOM 0 HG2 GLU B 23 -5.905 5.183 16.674 1.00 1.22 H new ATOM 0 HG3 GLU B 23 -6.937 6.421 15.987 1.00 1.22 H new ATOM 1249 N LEU B 24 -7.249 3.172 19.136 1.00 0.34 N ATOM 1250 CA LEU B 24 -6.655 1.810 19.236 1.00 0.33 C ATOM 1251 C LEU B 24 -7.754 0.744 19.231 1.00 0.29 C ATOM 1252 O LEU B 24 -7.562 -0.347 18.735 1.00 0.30 O ATOM 1253 CB LEU B 24 -5.896 1.803 20.563 1.00 0.33 C ATOM 1254 CG LEU B 24 -4.759 2.825 20.506 1.00 0.93 C ATOM 1255 CD1 LEU B 24 -3.902 2.707 21.769 1.00 1.41 C ATOM 1256 CD2 LEU B 24 -3.891 2.550 19.275 1.00 1.75 C ATOM 0 H LEU B 24 -7.344 3.668 20.022 1.00 0.34 H new ATOM 0 HA LEU B 24 -6.000 1.584 18.394 1.00 0.33 H new ATOM 0 HB2 LEU B 24 -6.573 2.042 21.383 1.00 0.33 H new ATOM 0 HB3 LEU B 24 -5.496 0.808 20.760 1.00 0.33 H new ATOM 0 HG LEU B 24 -5.176 3.830 20.443 1.00 0.93 H new ATOM 0 HD11 LEU B 24 -3.092 3.435 21.728 1.00 1.41 H new ATOM 0 HD12 LEU B 24 -4.519 2.899 22.647 1.00 1.41 H new ATOM 0 HD13 LEU B 24 -3.484 1.702 21.832 1.00 1.41 H new ATOM 0 HD21 LEU B 24 -3.080 3.277 19.232 1.00 1.75 H new ATOM 0 HD22 LEU B 24 -3.474 1.545 19.341 1.00 1.75 H new ATOM 0 HD23 LEU B 24 -4.500 2.632 18.375 1.00 1.75 H new ATOM 1268 N ARG B 25 -8.932 1.074 19.693 1.00 0.26 N ATOM 1269 CA ARG B 25 -10.048 0.091 19.602 1.00 0.23 C ATOM 1270 C ARG B 25 -10.237 -0.315 18.141 1.00 0.26 C ATOM 1271 O ARG B 25 -10.436 -1.470 17.822 1.00 0.25 O ATOM 1272 CB ARG B 25 -11.301 0.822 20.096 1.00 0.22 C ATOM 1273 CG ARG B 25 -11.130 1.272 21.548 1.00 0.21 C ATOM 1274 CD ARG B 25 -12.471 1.815 22.059 1.00 0.22 C ATOM 1275 NE ARG B 25 -12.133 2.666 23.232 1.00 0.23 N ATOM 1276 CZ ARG B 25 -12.976 3.571 23.653 1.00 0.26 C ATOM 1277 NH1 ARG B 25 -14.125 3.728 23.051 1.00 0.30 N ATOM 1278 NH2 ARG B 25 -12.671 4.320 24.677 1.00 0.27 N ATOM 0 H ARG B 25 -9.166 1.969 20.123 1.00 0.26 H new ATOM 0 HA ARG B 25 -9.850 -0.805 20.191 1.00 0.23 H new ATOM 0 HB2 ARG B 25 -11.496 1.688 19.463 1.00 0.22 H new ATOM 0 HB3 ARG B 25 -12.167 0.165 20.014 1.00 0.22 H new ATOM 0 HG2 ARG B 25 -10.801 0.436 22.166 1.00 0.21 H new ATOM 0 HG3 ARG B 25 -10.361 2.041 21.617 1.00 0.21 H new ATOM 0 HD2 ARG B 25 -12.980 2.393 21.288 1.00 0.22 H new ATOM 0 HD3 ARG B 25 -13.141 1.003 22.343 1.00 0.22 H new ATOM 0 HE ARG B 25 -11.240 2.542 23.709 1.00 0.23 H new ATOM 0 HH11 ARG B 25 -14.365 3.143 22.251 1.00 0.30 H new ATOM 0 HH12 ARG B 25 -14.782 4.435 23.382 1.00 0.30 H new ATOM 0 HH21 ARG B 25 -11.775 4.199 25.148 1.00 0.27 H new ATOM 0 HH22 ARG B 25 -13.329 5.027 25.006 1.00 0.27 H new ATOM 1292 N ARG B 26 -10.204 0.641 17.253 1.00 0.29 N ATOM 1293 CA ARG B 26 -10.415 0.331 15.810 1.00 0.33 C ATOM 1294 C ARG B 26 -9.204 -0.410 15.236 1.00 0.35 C ATOM 1295 O ARG B 26 -9.339 -1.412 14.564 1.00 0.35 O ATOM 1296 CB ARG B 26 -10.577 1.695 15.136 1.00 0.37 C ATOM 1297 CG ARG B 26 -10.909 1.496 13.656 1.00 1.07 C ATOM 1298 CD ARG B 26 -10.966 2.858 12.959 1.00 1.25 C ATOM 1299 NE ARG B 26 -12.051 3.602 13.657 1.00 1.86 N ATOM 1300 CZ ARG B 26 -13.303 3.335 13.396 1.00 2.33 C ATOM 1301 NH1 ARG B 26 -13.610 2.414 12.523 1.00 2.42 N ATOM 1302 NH2 ARG B 26 -14.249 3.990 14.011 1.00 3.27 N ATOM 0 H ARG B 26 -10.040 1.625 17.465 1.00 0.29 H new ATOM 0 HA ARG B 26 -11.280 -0.313 15.650 1.00 0.33 H new ATOM 0 HB2 ARG B 26 -11.369 2.262 15.624 1.00 0.37 H new ATOM 0 HB3 ARG B 26 -9.660 2.275 15.239 1.00 0.37 H new ATOM 0 HG2 ARG B 26 -10.155 0.865 13.185 1.00 1.07 H new ATOM 0 HG3 ARG B 26 -11.865 0.982 13.552 1.00 1.07 H new ATOM 0 HD2 ARG B 26 -10.014 3.382 13.038 1.00 1.25 H new ATOM 0 HD3 ARG B 26 -11.182 2.749 11.896 1.00 1.25 H new ATOM 0 HE ARG B 26 -11.816 4.322 14.340 1.00 1.86 H new ATOM 0 HH11 ARG B 26 -12.871 1.900 12.042 1.00 2.42 H new ATOM 0 HH12 ARG B 26 -14.588 2.208 12.322 1.00 2.42 H new ATOM 0 HH21 ARG B 26 -14.010 4.709 14.694 1.00 3.27 H new ATOM 0 HH22 ARG B 26 -15.227 3.783 13.809 1.00 3.27 H new ATOM 1316 N THR B 27 -8.025 0.103 15.459 1.00 0.37 N ATOM 1317 CA THR B 27 -6.806 -0.539 14.883 1.00 0.41 C ATOM 1318 C THR B 27 -6.618 -1.954 15.441 1.00 0.39 C ATOM 1319 O THR B 27 -6.069 -2.817 14.787 1.00 0.42 O ATOM 1320 CB THR B 27 -5.647 0.364 15.303 1.00 0.44 C ATOM 1321 OG1 THR B 27 -5.909 1.695 14.878 1.00 0.61 O ATOM 1322 CG2 THR B 27 -4.351 -0.133 14.660 1.00 0.77 C ATOM 0 H THR B 27 -7.852 0.940 16.016 1.00 0.37 H new ATOM 0 HA THR B 27 -6.874 -0.642 13.800 1.00 0.41 H new ATOM 0 HB THR B 27 -5.543 0.342 16.388 1.00 0.44 H new ATOM 0 HG1 THR B 27 -6.366 2.183 15.595 1.00 0.61 H new ATOM 0 HG21 THR B 27 -3.525 0.512 14.960 1.00 0.77 H new ATOM 0 HG22 THR B 27 -4.151 -1.154 14.986 1.00 0.77 H new ATOM 0 HG23 THR B 27 -4.452 -0.112 13.575 1.00 0.77 H new ATOM 1330 N LEU B 28 -7.009 -2.183 16.664 1.00 0.35 N ATOM 1331 CA LEU B 28 -6.784 -3.526 17.274 1.00 0.35 C ATOM 1332 C LEU B 28 -7.951 -4.468 16.954 1.00 0.33 C ATOM 1333 O LEU B 28 -7.911 -5.643 17.264 1.00 0.33 O ATOM 1334 CB LEU B 28 -6.693 -3.268 18.777 1.00 0.33 C ATOM 1335 CG LEU B 28 -6.233 -4.542 19.487 1.00 0.44 C ATOM 1336 CD1 LEU B 28 -4.759 -4.802 19.165 1.00 0.70 C ATOM 1337 CD2 LEU B 28 -6.400 -4.371 20.998 1.00 1.05 C ATOM 0 H LEU B 28 -7.473 -1.503 17.266 1.00 0.35 H new ATOM 0 HA LEU B 28 -5.885 -4.006 16.887 1.00 0.35 H new ATOM 0 HB2 LEU B 28 -5.994 -2.456 18.976 1.00 0.33 H new ATOM 0 HB3 LEU B 28 -7.663 -2.955 19.162 1.00 0.33 H new ATOM 0 HG LEU B 28 -6.834 -5.385 19.146 1.00 0.44 H new ATOM 0 HD11 LEU B 28 -4.431 -5.710 19.671 1.00 0.70 H new ATOM 0 HD12 LEU B 28 -4.637 -4.922 18.088 1.00 0.70 H new ATOM 0 HD13 LEU B 28 -4.158 -3.959 19.506 1.00 0.70 H new ATOM 0 HD21 LEU B 28 -6.072 -5.278 21.505 1.00 1.05 H new ATOM 0 HD22 LEU B 28 -5.798 -3.528 21.338 1.00 1.05 H new ATOM 0 HD23 LEU B 28 -7.449 -4.184 21.229 1.00 1.05 H new ATOM 1349 N GLY B 29 -8.982 -3.973 16.325 1.00 0.32 N ATOM 1350 CA GLY B 29 -10.131 -4.857 15.974 1.00 0.32 C ATOM 1351 C GLY B 29 -10.803 -5.358 17.254 1.00 0.29 C ATOM 1352 O GLY B 29 -11.158 -6.514 17.369 1.00 0.29 O ATOM 0 H GLY B 29 -9.079 -2.999 16.040 1.00 0.32 H new ATOM 0 HA2 GLY B 29 -10.850 -4.311 15.364 1.00 0.32 H new ATOM 0 HA3 GLY B 29 -9.784 -5.702 15.379 1.00 0.32 H new ATOM 1356 N ILE B 30 -10.958 -4.505 18.227 1.00 0.27 N ATOM 1357 CA ILE B 30 -11.582 -4.945 19.508 1.00 0.24 C ATOM 1358 C ILE B 30 -12.899 -4.205 19.751 1.00 0.23 C ATOM 1359 O ILE B 30 -13.024 -3.026 19.487 1.00 0.26 O ATOM 1360 CB ILE B 30 -10.565 -4.599 20.594 1.00 0.27 C ATOM 1361 CG1 ILE B 30 -9.249 -5.325 20.307 1.00 0.41 C ATOM 1362 CG2 ILE B 30 -11.104 -5.039 21.956 1.00 0.33 C ATOM 1363 CD1 ILE B 30 -9.527 -6.814 20.087 1.00 0.30 C ATOM 0 H ILE B 30 -10.681 -3.524 18.192 1.00 0.27 H new ATOM 0 HA ILE B 30 -11.819 -6.009 19.497 1.00 0.24 H new ATOM 0 HB ILE B 30 -10.393 -3.523 20.603 1.00 0.27 H new ATOM 0 HG12 ILE B 30 -8.771 -4.899 19.425 1.00 0.41 H new ATOM 0 HG13 ILE B 30 -8.558 -5.192 21.140 1.00 0.41 H new ATOM 0 HG21 ILE B 30 -10.379 -4.792 22.731 1.00 0.33 H new ATOM 0 HG22 ILE B 30 -12.042 -4.523 22.160 1.00 0.33 H new ATOM 0 HG23 ILE B 30 -11.276 -6.115 21.949 1.00 0.33 H new ATOM 0 HD11 ILE B 30 -8.590 -7.333 19.882 1.00 0.30 H new ATOM 0 HD12 ILE B 30 -9.987 -7.234 20.981 1.00 0.30 H new ATOM 0 HD13 ILE B 30 -10.202 -6.937 19.240 1.00 0.30 H new ATOM 1375 N ALA B 31 -13.889 -4.907 20.224 1.00 0.22 N ATOM 1376 CA ALA B 31 -15.219 -4.281 20.462 1.00 0.23 C ATOM 1377 C ALA B 31 -15.832 -4.826 21.755 1.00 0.20 C ATOM 1378 O ALA B 31 -15.370 -5.806 22.307 1.00 0.19 O ATOM 1379 CB ALA B 31 -16.067 -4.690 19.259 1.00 0.23 C ATOM 0 H ALA B 31 -13.833 -5.898 20.458 1.00 0.22 H new ATOM 0 HA ALA B 31 -15.154 -3.198 20.569 1.00 0.23 H new ATOM 0 HB1 ALA B 31 -17.067 -4.267 19.358 1.00 0.23 H new ATOM 0 HB2 ALA B 31 -15.605 -4.318 18.345 1.00 0.23 H new ATOM 0 HB3 ALA B 31 -16.136 -5.777 19.215 1.00 0.23 H new ATOM 1385 N GLU B 32 -16.862 -4.199 22.247 1.00 0.22 N ATOM 1386 CA GLU B 32 -17.494 -4.679 23.509 1.00 0.21 C ATOM 1387 C GLU B 32 -17.852 -6.166 23.399 1.00 0.19 C ATOM 1388 O GLU B 32 -18.252 -6.641 22.356 1.00 0.20 O ATOM 1389 CB GLU B 32 -18.760 -3.835 23.660 1.00 0.25 C ATOM 1390 CG GLU B 32 -19.436 -4.164 24.993 1.00 0.27 C ATOM 1391 CD GLU B 32 -20.762 -3.408 25.093 1.00 0.32 C ATOM 1392 OE1 GLU B 32 -21.082 -2.686 24.163 1.00 1.13 O ATOM 1393 OE2 GLU B 32 -21.436 -3.565 26.098 1.00 1.12 O ATOM 0 H GLU B 32 -17.295 -3.374 21.831 1.00 0.22 H new ATOM 0 HA GLU B 32 -16.828 -4.579 24.366 1.00 0.21 H new ATOM 0 HB2 GLU B 32 -18.510 -2.775 23.619 1.00 0.25 H new ATOM 0 HB3 GLU B 32 -19.443 -4.034 22.834 1.00 0.25 H new ATOM 0 HG2 GLU B 32 -19.610 -5.237 25.069 1.00 0.27 H new ATOM 0 HG3 GLU B 32 -18.784 -3.887 25.822 1.00 0.27 H new ATOM 1400 N LYS B 33 -17.766 -6.881 24.491 1.00 0.19 N ATOM 1401 CA LYS B 33 -18.159 -8.326 24.505 1.00 0.20 C ATOM 1402 C LYS B 33 -17.105 -9.195 23.807 1.00 0.18 C ATOM 1403 O LYS B 33 -17.157 -10.407 23.868 1.00 0.21 O ATOM 1404 CB LYS B 33 -19.495 -8.401 23.762 1.00 0.23 C ATOM 1405 CG LYS B 33 -20.192 -9.721 24.102 1.00 0.29 C ATOM 1406 CD LYS B 33 -21.495 -9.829 23.308 1.00 0.86 C ATOM 1407 CE LYS B 33 -22.274 -11.062 23.771 1.00 1.35 C ATOM 1408 NZ LYS B 33 -23.706 -10.654 23.716 1.00 1.88 N ATOM 0 H LYS B 33 -17.436 -6.522 25.387 1.00 0.19 H new ATOM 0 HA LYS B 33 -18.241 -8.701 25.525 1.00 0.20 H new ATOM 0 HB2 LYS B 33 -20.128 -7.560 24.044 1.00 0.23 H new ATOM 0 HB3 LYS B 33 -19.330 -8.330 22.687 1.00 0.23 H new ATOM 0 HG2 LYS B 33 -19.539 -10.561 23.865 1.00 0.29 H new ATOM 0 HG3 LYS B 33 -20.400 -9.770 25.171 1.00 0.29 H new ATOM 0 HD2 LYS B 33 -22.096 -8.931 23.451 1.00 0.86 H new ATOM 0 HD3 LYS B 33 -21.279 -9.901 22.242 1.00 0.86 H new ATOM 0 HE2 LYS B 33 -22.082 -11.917 23.123 1.00 1.35 H new ATOM 0 HE3 LYS B 33 -21.985 -11.356 24.780 1.00 1.35 H new ATOM 0 HZ1 LYS B 33 -24.305 -11.448 24.020 1.00 1.88 H new ATOM 0 HZ2 LYS B 33 -23.860 -9.842 24.348 1.00 1.88 H new ATOM 0 HZ3 LYS B 33 -23.954 -10.386 22.742 1.00 1.88 H new ATOM 1422 N ASP B 34 -16.100 -8.597 23.230 1.00 0.16 N ATOM 1423 CA ASP B 34 -14.998 -9.412 22.638 1.00 0.16 C ATOM 1424 C ASP B 34 -14.075 -9.927 23.743 1.00 0.19 C ATOM 1425 O ASP B 34 -14.162 -9.505 24.878 1.00 0.20 O ATOM 1426 CB ASP B 34 -14.248 -8.465 21.707 1.00 0.17 C ATOM 1427 CG ASP B 34 -15.092 -8.209 20.459 1.00 0.18 C ATOM 1428 OD1 ASP B 34 -16.111 -8.863 20.311 1.00 1.10 O ATOM 1429 OD2 ASP B 34 -14.703 -7.364 19.673 1.00 1.09 O ATOM 0 H ASP B 34 -15.992 -7.587 23.142 1.00 0.16 H new ATOM 0 HA ASP B 34 -15.374 -10.284 22.103 1.00 0.16 H new ATOM 0 HB2 ASP B 34 -14.039 -7.525 22.217 1.00 0.17 H new ATOM 0 HB3 ASP B 34 -13.287 -8.897 21.428 1.00 0.17 H new ATOM 1434 N ALA B 35 -13.238 -10.881 23.438 1.00 0.22 N ATOM 1435 CA ALA B 35 -12.366 -11.468 24.496 1.00 0.28 C ATOM 1436 C ALA B 35 -10.925 -10.965 24.351 1.00 0.20 C ATOM 1437 O ALA B 35 -10.314 -11.090 23.309 1.00 0.16 O ATOM 1438 CB ALA B 35 -12.432 -12.977 24.266 1.00 0.36 C ATOM 0 H ALA B 35 -13.120 -11.278 22.506 1.00 0.22 H new ATOM 0 HA ALA B 35 -12.693 -11.189 25.498 1.00 0.28 H new ATOM 0 HB1 ALA B 35 -11.814 -13.485 25.006 1.00 0.36 H new ATOM 0 HB2 ALA B 35 -13.464 -13.315 24.361 1.00 0.36 H new ATOM 0 HB3 ALA B 35 -12.065 -13.209 23.266 1.00 0.36 H new ATOM 1444 N LEU B 36 -10.351 -10.492 25.423 1.00 0.24 N ATOM 1445 CA LEU B 36 -8.914 -10.091 25.395 1.00 0.21 C ATOM 1446 C LEU B 36 -8.082 -11.130 26.144 1.00 0.19 C ATOM 1447 O LEU B 36 -8.451 -11.558 27.215 1.00 0.23 O ATOM 1448 CB LEU B 36 -8.857 -8.758 26.139 1.00 0.34 C ATOM 1449 CG LEU B 36 -9.940 -7.815 25.620 1.00 0.45 C ATOM 1450 CD1 LEU B 36 -10.186 -6.727 26.664 1.00 0.55 C ATOM 1451 CD2 LEU B 36 -9.475 -7.173 24.311 1.00 0.56 C ATOM 0 H LEU B 36 -10.817 -10.365 26.322 1.00 0.24 H new ATOM 0 HA LEU B 36 -8.526 -10.013 24.380 1.00 0.21 H new ATOM 0 HB2 LEU B 36 -8.992 -8.924 27.208 1.00 0.34 H new ATOM 0 HB3 LEU B 36 -7.875 -8.302 26.008 1.00 0.34 H new ATOM 0 HG LEU B 36 -10.860 -8.370 25.439 1.00 0.45 H new ATOM 0 HD11 LEU B 36 -10.958 -6.046 26.305 1.00 0.55 H new ATOM 0 HD12 LEU B 36 -10.512 -7.186 27.598 1.00 0.55 H new ATOM 0 HD13 LEU B 36 -9.264 -6.172 26.835 1.00 0.55 H new ATOM 0 HD21 LEU B 36 -10.248 -6.500 23.941 1.00 0.56 H new ATOM 0 HD22 LEU B 36 -8.558 -6.610 24.487 1.00 0.56 H new ATOM 0 HD23 LEU B 36 -9.287 -7.951 23.571 1.00 0.56 H new ATOM 1463 N GLU B 37 -6.912 -11.444 25.667 1.00 0.18 N ATOM 1464 CA GLU B 37 -6.024 -12.345 26.454 1.00 0.20 C ATOM 1465 C GLU B 37 -4.905 -11.535 27.109 1.00 0.18 C ATOM 1466 O GLU B 37 -4.412 -10.573 26.552 1.00 0.19 O ATOM 1467 CB GLU B 37 -5.461 -13.346 25.446 1.00 0.24 C ATOM 1468 CG GLU B 37 -4.619 -14.392 26.179 1.00 0.26 C ATOM 1469 CD GLU B 37 -3.981 -15.341 25.163 1.00 0.36 C ATOM 1470 OE1 GLU B 37 -4.209 -15.149 23.981 1.00 1.17 O ATOM 1471 OE2 GLU B 37 -3.278 -16.244 25.586 1.00 1.07 O ATOM 0 H GLU B 37 -6.534 -11.121 24.777 1.00 0.18 H new ATOM 0 HA GLU B 37 -6.558 -12.852 27.258 1.00 0.20 H new ATOM 0 HB2 GLU B 37 -6.274 -13.832 24.907 1.00 0.24 H new ATOM 0 HB3 GLU B 37 -4.852 -12.828 24.705 1.00 0.24 H new ATOM 0 HG2 GLU B 37 -3.845 -13.902 26.770 1.00 0.26 H new ATOM 0 HG3 GLU B 37 -5.243 -14.954 26.874 1.00 0.26 H new ATOM 1478 N ILE B 38 -4.587 -11.847 28.333 1.00 0.20 N ATOM 1479 CA ILE B 38 -3.604 -11.025 29.090 1.00 0.20 C ATOM 1480 C ILE B 38 -2.301 -11.801 29.285 1.00 0.19 C ATOM 1481 O ILE B 38 -2.301 -12.958 29.669 1.00 0.23 O ATOM 1482 CB ILE B 38 -4.270 -10.753 30.439 1.00 0.25 C ATOM 1483 CG1 ILE B 38 -5.611 -10.052 30.212 1.00 0.80 C ATOM 1484 CG2 ILE B 38 -3.364 -9.857 31.286 1.00 0.73 C ATOM 1485 CD1 ILE B 38 -6.334 -9.888 31.550 1.00 0.84 C ATOM 0 H ILE B 38 -4.969 -12.642 28.845 1.00 0.20 H new ATOM 0 HA ILE B 38 -3.349 -10.104 28.566 1.00 0.20 H new ATOM 0 HB ILE B 38 -4.435 -11.697 30.959 1.00 0.25 H new ATOM 0 HG12 ILE B 38 -5.450 -9.077 29.751 1.00 0.80 H new ATOM 0 HG13 ILE B 38 -6.225 -10.633 29.524 1.00 0.80 H new ATOM 0 HG21 ILE B 38 -3.840 -9.664 32.247 1.00 0.73 H new ATOM 0 HG22 ILE B 38 -2.408 -10.355 31.448 1.00 0.73 H new ATOM 0 HG23 ILE B 38 -3.198 -8.913 30.767 1.00 0.73 H new ATOM 0 HD11 ILE B 38 -7.289 -9.389 31.389 1.00 0.84 H new ATOM 0 HD12 ILE B 38 -6.508 -10.869 31.992 1.00 0.84 H new ATOM 0 HD13 ILE B 38 -5.721 -9.289 32.224 1.00 0.84 H new ATOM 1497 N TYR B 39 -1.198 -11.160 29.011 1.00 0.18 N ATOM 1498 CA TYR B 39 0.131 -11.818 29.151 1.00 0.20 C ATOM 1499 C TYR B 39 0.936 -11.136 30.261 1.00 0.20 C ATOM 1500 O TYR B 39 0.756 -9.966 30.532 1.00 0.19 O ATOM 1501 CB TYR B 39 0.813 -11.584 27.805 1.00 0.23 C ATOM 1502 CG TYR B 39 0.325 -12.580 26.786 1.00 0.28 C ATOM 1503 CD1 TYR B 39 -1.013 -12.576 26.376 1.00 0.31 C ATOM 1504 CD2 TYR B 39 1.223 -13.500 26.243 1.00 0.31 C ATOM 1505 CE1 TYR B 39 -1.452 -13.501 25.419 1.00 0.37 C ATOM 1506 CE2 TYR B 39 0.788 -14.423 25.288 1.00 0.36 C ATOM 1507 CZ TYR B 39 -0.550 -14.426 24.876 1.00 0.39 C ATOM 1508 OH TYR B 39 -0.977 -15.340 23.936 1.00 0.45 O ATOM 0 H TYR B 39 -1.162 -10.192 28.691 1.00 0.18 H new ATOM 0 HA TYR B 39 0.050 -12.875 29.406 1.00 0.20 H new ATOM 0 HB2 TYR B 39 0.609 -10.571 27.459 1.00 0.23 H new ATOM 0 HB3 TYR B 39 1.894 -11.671 27.918 1.00 0.23 H new ATOM 0 HD1 TYR B 39 -1.706 -11.862 26.796 1.00 0.31 H new ATOM 0 HD2 TYR B 39 2.255 -13.499 26.561 1.00 0.31 H new ATOM 0 HE1 TYR B 39 -2.484 -13.501 25.100 1.00 0.37 H new ATOM 0 HE2 TYR B 39 1.484 -15.134 24.868 1.00 0.36 H new ATOM 0 HH TYR B 39 -0.232 -15.572 23.343 1.00 0.45 H new ATOM 1518 N VAL B 40 1.895 -11.815 30.825 1.00 0.21 N ATOM 1519 CA VAL B 40 2.783 -11.144 31.818 1.00 0.21 C ATOM 1520 C VAL B 40 4.255 -11.382 31.471 1.00 0.21 C ATOM 1521 O VAL B 40 4.701 -12.504 31.339 1.00 0.23 O ATOM 1522 CB VAL B 40 2.433 -11.782 33.160 1.00 0.24 C ATOM 1523 CG1 VAL B 40 3.387 -11.261 34.235 1.00 0.26 C ATOM 1524 CG2 VAL B 40 0.997 -11.413 33.533 1.00 0.26 C ATOM 0 H VAL B 40 2.103 -12.797 30.645 1.00 0.21 H new ATOM 0 HA VAL B 40 2.638 -10.064 31.832 1.00 0.21 H new ATOM 0 HB VAL B 40 2.526 -12.866 33.086 1.00 0.24 H new ATOM 0 HG11 VAL B 40 3.138 -11.716 35.194 1.00 0.26 H new ATOM 0 HG12 VAL B 40 4.412 -11.517 33.967 1.00 0.26 H new ATOM 0 HG13 VAL B 40 3.292 -10.178 34.312 1.00 0.26 H new ATOM 0 HG21 VAL B 40 0.742 -11.866 34.491 1.00 0.26 H new ATOM 0 HG22 VAL B 40 0.908 -10.329 33.609 1.00 0.26 H new ATOM 0 HG23 VAL B 40 0.316 -11.780 32.765 1.00 0.26 H new ATOM 1534 N ASP B 41 5.021 -10.329 31.364 1.00 0.21 N ATOM 1535 CA ASP B 41 6.474 -10.485 31.071 1.00 0.21 C ATOM 1536 C ASP B 41 7.273 -9.374 31.759 1.00 0.24 C ATOM 1537 O ASP B 41 6.977 -8.205 31.612 1.00 0.26 O ATOM 1538 CB ASP B 41 6.590 -10.362 29.550 1.00 0.19 C ATOM 1539 CG ASP B 41 6.384 -8.901 29.139 1.00 1.00 C ATOM 1540 OD1 ASP B 41 5.564 -8.243 29.756 1.00 1.77 O ATOM 1541 OD2 ASP B 41 7.054 -8.467 28.216 1.00 1.68 O ATOM 0 H ASP B 41 4.702 -9.366 31.467 1.00 0.21 H new ATOM 0 HA ASP B 41 6.868 -11.434 31.434 1.00 0.21 H new ATOM 0 HB2 ASP B 41 7.569 -10.709 29.220 1.00 0.19 H new ATOM 0 HB3 ASP B 41 5.847 -10.996 29.065 1.00 0.19 H new ATOM 1546 N ASP B 42 8.329 -9.721 32.441 1.00 0.27 N ATOM 1547 CA ASP B 42 9.198 -8.674 33.056 1.00 0.32 C ATOM 1548 C ASP B 42 8.355 -7.619 33.784 1.00 0.32 C ATOM 1549 O ASP B 42 8.594 -6.435 33.663 1.00 0.37 O ATOM 1550 CB ASP B 42 9.942 -8.048 31.877 1.00 0.37 C ATOM 1551 CG ASP B 42 10.809 -6.891 32.375 1.00 0.45 C ATOM 1552 OD1 ASP B 42 10.911 -6.728 33.578 1.00 1.14 O ATOM 1553 OD2 ASP B 42 11.354 -6.186 31.541 1.00 1.21 O ATOM 0 H ASP B 42 8.629 -10.683 32.600 1.00 0.27 H new ATOM 0 HA ASP B 42 9.876 -9.090 33.801 1.00 0.32 H new ATOM 0 HB2 ASP B 42 10.564 -8.797 31.387 1.00 0.37 H new ATOM 0 HB3 ASP B 42 9.230 -7.689 31.134 1.00 0.37 H new ATOM 1558 N GLU B 43 7.424 -8.043 34.598 1.00 0.29 N ATOM 1559 CA GLU B 43 6.626 -7.068 35.407 1.00 0.30 C ATOM 1560 C GLU B 43 5.836 -6.127 34.492 1.00 0.29 C ATOM 1561 O GLU B 43 5.227 -5.177 34.943 1.00 0.30 O ATOM 1562 CB GLU B 43 7.658 -6.287 36.223 1.00 0.34 C ATOM 1563 CG GLU B 43 6.938 -5.407 37.246 1.00 1.17 C ATOM 1564 CD GLU B 43 7.963 -4.554 37.998 1.00 1.34 C ATOM 1565 OE1 GLU B 43 9.137 -4.662 37.684 1.00 1.68 O ATOM 1566 OE2 GLU B 43 7.556 -3.809 38.874 1.00 1.92 O ATOM 0 H GLU B 43 7.180 -9.023 34.739 1.00 0.29 H new ATOM 0 HA GLU B 43 5.896 -7.567 36.044 1.00 0.30 H new ATOM 0 HB2 GLU B 43 8.333 -6.976 36.731 1.00 0.34 H new ATOM 0 HB3 GLU B 43 8.269 -5.671 35.563 1.00 0.34 H new ATOM 0 HG2 GLU B 43 6.214 -4.766 36.744 1.00 1.17 H new ATOM 0 HG3 GLU B 43 6.381 -6.028 37.948 1.00 1.17 H new ATOM 1573 N LYS B 44 5.780 -6.424 33.225 1.00 0.29 N ATOM 1574 CA LYS B 44 4.960 -5.592 32.300 1.00 0.30 C ATOM 1575 C LYS B 44 3.778 -6.412 31.775 1.00 0.27 C ATOM 1576 O LYS B 44 3.833 -7.622 31.711 1.00 0.26 O ATOM 1577 CB LYS B 44 5.904 -5.214 31.157 1.00 0.34 C ATOM 1578 CG LYS B 44 7.086 -4.418 31.713 1.00 1.29 C ATOM 1579 CD LYS B 44 7.881 -3.811 30.554 1.00 1.23 C ATOM 1580 CE LYS B 44 8.465 -4.932 29.692 1.00 1.90 C ATOM 1581 NZ LYS B 44 8.687 -4.314 28.355 1.00 2.00 N ATOM 0 H LYS B 44 6.267 -7.207 32.789 1.00 0.29 H new ATOM 0 HA LYS B 44 4.548 -4.709 32.789 1.00 0.30 H new ATOM 0 HB2 LYS B 44 6.261 -6.113 30.654 1.00 0.34 H new ATOM 0 HB3 LYS B 44 5.372 -4.622 30.412 1.00 0.34 H new ATOM 0 HG2 LYS B 44 6.728 -3.630 32.375 1.00 1.29 H new ATOM 0 HG3 LYS B 44 7.728 -5.067 32.308 1.00 1.29 H new ATOM 0 HD2 LYS B 44 7.235 -3.173 29.951 1.00 1.23 H new ATOM 0 HD3 LYS B 44 8.682 -3.180 30.940 1.00 1.23 H new ATOM 0 HE2 LYS B 44 9.397 -5.308 30.113 1.00 1.90 H new ATOM 0 HE3 LYS B 44 7.780 -5.778 29.627 1.00 1.90 H new ATOM 0 HZ1 LYS B 44 9.087 -5.022 27.707 1.00 2.00 H new ATOM 0 HZ2 LYS B 44 7.781 -3.971 27.976 1.00 2.00 H new ATOM 0 HZ3 LYS B 44 9.348 -3.516 28.447 1.00 2.00 H new ATOM 1595 N ILE B 45 2.691 -5.768 31.454 1.00 0.28 N ATOM 1596 CA ILE B 45 1.488 -6.522 31.002 1.00 0.26 C ATOM 1597 C ILE B 45 1.355 -6.446 29.478 1.00 0.26 C ATOM 1598 O ILE B 45 1.350 -5.379 28.903 1.00 0.29 O ATOM 1599 CB ILE B 45 0.311 -5.813 31.670 1.00 0.29 C ATOM 1600 CG1 ILE B 45 0.544 -5.754 33.182 1.00 0.33 C ATOM 1601 CG2 ILE B 45 -0.980 -6.583 31.385 1.00 0.28 C ATOM 1602 CD1 ILE B 45 -0.443 -4.768 33.809 1.00 1.24 C ATOM 0 H ILE B 45 2.583 -4.754 31.485 1.00 0.28 H new ATOM 0 HA ILE B 45 1.540 -7.578 31.266 1.00 0.26 H new ATOM 0 HB ILE B 45 0.225 -4.801 31.273 1.00 0.29 H new ATOM 0 HG12 ILE B 45 0.415 -6.744 33.620 1.00 0.33 H new ATOM 0 HG13 ILE B 45 1.568 -5.444 33.392 1.00 0.33 H new ATOM 0 HG21 ILE B 45 -1.819 -6.076 31.862 1.00 0.28 H new ATOM 0 HG22 ILE B 45 -1.147 -6.627 30.309 1.00 0.28 H new ATOM 0 HG23 ILE B 45 -0.895 -7.595 31.781 1.00 0.28 H new ATOM 0 HD11 ILE B 45 -0.279 -4.724 34.886 1.00 1.24 H new ATOM 0 HD12 ILE B 45 -0.292 -3.778 33.378 1.00 1.24 H new ATOM 0 HD13 ILE B 45 -1.463 -5.098 33.610 1.00 1.24 H new ATOM 1614 N ILE B 46 1.183 -7.566 28.831 1.00 0.26 N ATOM 1615 CA ILE B 46 0.978 -7.554 27.354 1.00 0.29 C ATOM 1616 C ILE B 46 -0.446 -8.008 27.017 1.00 0.28 C ATOM 1617 O ILE B 46 -0.857 -9.098 27.355 1.00 0.31 O ATOM 1618 CB ILE B 46 2.009 -8.544 26.809 1.00 0.32 C ATOM 1619 CG1 ILE B 46 3.409 -7.944 26.946 1.00 0.44 C ATOM 1620 CG2 ILE B 46 1.719 -8.843 25.337 1.00 0.37 C ATOM 1621 CD1 ILE B 46 4.430 -9.072 27.092 1.00 0.50 C ATOM 0 H ILE B 46 1.176 -8.491 29.262 1.00 0.26 H new ATOM 0 HA ILE B 46 1.101 -6.561 26.922 1.00 0.29 H new ATOM 0 HB ILE B 46 1.952 -9.473 27.377 1.00 0.32 H new ATOM 0 HG12 ILE B 46 3.644 -7.336 26.072 1.00 0.44 H new ATOM 0 HG13 ILE B 46 3.451 -7.285 27.813 1.00 0.44 H new ATOM 0 HG21 ILE B 46 2.458 -9.549 24.957 1.00 0.37 H new ATOM 0 HG22 ILE B 46 0.723 -9.275 25.243 1.00 0.37 H new ATOM 0 HG23 ILE B 46 1.770 -7.919 24.761 1.00 0.37 H new ATOM 0 HD11 ILE B 46 5.429 -8.648 27.190 1.00 0.50 H new ATOM 0 HD12 ILE B 46 4.197 -9.661 27.979 1.00 0.50 H new ATOM 0 HD13 ILE B 46 4.393 -9.713 26.211 1.00 0.50 H new ATOM 1633 N LEU B 47 -1.205 -7.177 26.358 1.00 0.28 N ATOM 1634 CA LEU B 47 -2.602 -7.565 26.008 1.00 0.29 C ATOM 1635 C LEU B 47 -2.735 -7.736 24.495 1.00 0.31 C ATOM 1636 O LEU B 47 -2.302 -6.899 23.728 1.00 0.38 O ATOM 1637 CB LEU B 47 -3.474 -6.406 26.486 1.00 0.34 C ATOM 1638 CG LEU B 47 -3.265 -6.182 27.985 1.00 0.90 C ATOM 1639 CD1 LEU B 47 -1.957 -5.423 28.211 1.00 1.66 C ATOM 1640 CD2 LEU B 47 -4.431 -5.362 28.541 1.00 1.23 C ATOM 0 H LEU B 47 -0.920 -6.248 26.047 1.00 0.28 H new ATOM 0 HA LEU B 47 -2.892 -8.509 26.468 1.00 0.29 H new ATOM 0 HB2 LEU B 47 -3.223 -5.499 25.935 1.00 0.34 H new ATOM 0 HB3 LEU B 47 -4.523 -6.621 26.284 1.00 0.34 H new ATOM 0 HG LEU B 47 -3.218 -7.145 28.494 1.00 0.90 H new ATOM 0 HD11 LEU B 47 -1.809 -5.264 29.279 1.00 1.66 H new ATOM 0 HD12 LEU B 47 -1.126 -6.004 27.812 1.00 1.66 H new ATOM 0 HD13 LEU B 47 -2.003 -4.459 27.703 1.00 1.66 H new ATOM 0 HD21 LEU B 47 -4.285 -5.200 29.609 1.00 1.23 H new ATOM 0 HD22 LEU B 47 -4.475 -4.400 28.031 1.00 1.23 H new ATOM 0 HD23 LEU B 47 -5.365 -5.901 28.379 1.00 1.23 H new ATOM 1652 N LYS B 48 -3.358 -8.795 24.061 1.00 0.28 N ATOM 1653 CA LYS B 48 -3.550 -8.998 22.598 1.00 0.34 C ATOM 1654 C LYS B 48 -4.932 -9.596 22.323 1.00 0.27 C ATOM 1655 O LYS B 48 -5.571 -10.134 23.205 1.00 0.24 O ATOM 1656 CB LYS B 48 -2.450 -9.976 22.181 1.00 0.47 C ATOM 1657 CG LYS B 48 -2.709 -11.347 22.807 1.00 0.65 C ATOM 1658 CD LYS B 48 -1.610 -12.317 22.371 1.00 0.85 C ATOM 1659 CE LYS B 48 -2.170 -13.740 22.342 1.00 1.54 C ATOM 1660 NZ LYS B 48 -3.254 -13.706 21.322 1.00 1.74 N ATOM 0 H LYS B 48 -3.743 -9.529 24.656 1.00 0.28 H new ATOM 0 HA LYS B 48 -3.492 -8.062 22.043 1.00 0.34 H new ATOM 0 HB2 LYS B 48 -2.420 -10.062 21.095 1.00 0.47 H new ATOM 0 HB3 LYS B 48 -1.477 -9.600 22.498 1.00 0.47 H new ATOM 0 HG2 LYS B 48 -2.728 -11.266 23.894 1.00 0.65 H new ATOM 0 HG3 LYS B 48 -3.685 -11.722 22.498 1.00 0.65 H new ATOM 0 HD2 LYS B 48 -1.237 -12.041 21.385 1.00 0.85 H new ATOM 0 HD3 LYS B 48 -0.766 -12.260 23.059 1.00 0.85 H new ATOM 0 HE2 LYS B 48 -1.399 -14.462 22.075 1.00 1.54 H new ATOM 0 HE3 LYS B 48 -2.556 -14.032 23.319 1.00 1.54 H new ATOM 0 HZ1 LYS B 48 -3.397 -14.661 20.935 1.00 1.74 H new ATOM 0 HZ2 LYS B 48 -4.136 -13.376 21.763 1.00 1.74 H new ATOM 0 HZ3 LYS B 48 -2.987 -13.058 20.554 1.00 1.74 H new ATOM 1674 N LYS B 49 -5.373 -9.558 21.096 1.00 0.28 N ATOM 1675 CA LYS B 49 -6.683 -10.185 20.762 1.00 0.25 C ATOM 1676 C LYS B 49 -6.669 -11.661 21.159 1.00 0.22 C ATOM 1677 O LYS B 49 -5.639 -12.307 21.148 1.00 0.24 O ATOM 1678 CB LYS B 49 -6.827 -10.041 19.248 1.00 0.28 C ATOM 1679 CG LYS B 49 -8.176 -10.614 18.807 1.00 0.30 C ATOM 1680 CD LYS B 49 -9.295 -9.644 19.192 1.00 0.54 C ATOM 1681 CE LYS B 49 -10.636 -10.190 18.696 1.00 1.08 C ATOM 1682 NZ LYS B 49 -11.169 -10.989 19.834 1.00 1.65 N ATOM 0 H LYS B 49 -4.886 -9.122 20.313 1.00 0.28 H new ATOM 0 HA LYS B 49 -7.512 -9.715 21.291 1.00 0.25 H new ATOM 0 HB2 LYS B 49 -6.755 -8.991 18.963 1.00 0.28 H new ATOM 0 HB3 LYS B 49 -6.015 -10.564 18.743 1.00 0.28 H new ATOM 0 HG2 LYS B 49 -8.178 -10.779 17.729 1.00 0.30 H new ATOM 0 HG3 LYS B 49 -8.343 -11.583 19.278 1.00 0.30 H new ATOM 0 HD2 LYS B 49 -9.321 -9.513 20.274 1.00 0.54 H new ATOM 0 HD3 LYS B 49 -9.106 -8.663 18.757 1.00 0.54 H new ATOM 0 HE2 LYS B 49 -11.317 -9.382 18.428 1.00 1.08 H new ATOM 0 HE3 LYS B 49 -10.507 -10.807 17.807 1.00 1.08 H new ATOM 0 HZ1 LYS B 49 -12.089 -11.397 19.571 1.00 1.65 H new ATOM 0 HZ2 LYS B 49 -10.503 -11.755 20.063 1.00 1.65 H new ATOM 0 HZ3 LYS B 49 -11.288 -10.374 20.664 1.00 1.65 H new ATOM 1696 N TYR B 50 -7.786 -12.178 21.583 1.00 0.20 N ATOM 1697 CA TYR B 50 -7.812 -13.588 22.063 1.00 0.22 C ATOM 1698 C TYR B 50 -8.404 -14.510 20.994 1.00 0.25 C ATOM 1699 O TYR B 50 -9.588 -14.483 20.721 1.00 0.20 O ATOM 1700 CB TYR B 50 -8.708 -13.560 23.302 1.00 0.22 C ATOM 1701 CG TYR B 50 -8.827 -14.953 23.868 1.00 0.30 C ATOM 1702 CD1 TYR B 50 -7.725 -15.814 23.849 1.00 0.38 C ATOM 1703 CD2 TYR B 50 -10.044 -15.385 24.410 1.00 0.41 C ATOM 1704 CE1 TYR B 50 -7.838 -17.107 24.373 1.00 0.48 C ATOM 1705 CE2 TYR B 50 -10.157 -16.677 24.933 1.00 0.52 C ATOM 1706 CZ TYR B 50 -9.054 -17.539 24.915 1.00 0.53 C ATOM 1707 OH TYR B 50 -9.166 -18.813 25.431 1.00 0.65 O ATOM 0 H TYR B 50 -8.680 -11.688 21.619 1.00 0.20 H new ATOM 0 HA TYR B 50 -6.814 -13.967 22.283 1.00 0.22 H new ATOM 0 HB2 TYR B 50 -8.291 -12.886 24.050 1.00 0.22 H new ATOM 0 HB3 TYR B 50 -9.694 -13.176 23.042 1.00 0.22 H new ATOM 0 HD1 TYR B 50 -6.787 -15.481 23.430 1.00 0.38 H new ATOM 0 HD2 TYR B 50 -10.895 -14.720 24.424 1.00 0.41 H new ATOM 0 HE1 TYR B 50 -6.987 -17.771 24.359 1.00 0.48 H new ATOM 0 HE2 TYR B 50 -11.096 -17.010 25.351 1.00 0.52 H new ATOM 0 HH TYR B 50 -10.076 -18.951 25.768 1.00 0.65 H new ATOM 1717 N LYS B 51 -7.598 -15.371 20.433 1.00 0.38 N ATOM 1718 CA LYS B 51 -8.123 -16.343 19.433 1.00 0.44 C ATOM 1719 C LYS B 51 -7.658 -17.760 19.783 1.00 1.25 C ATOM 1720 O LYS B 51 -6.742 -18.281 19.177 1.00 2.08 O ATOM 1721 CB LYS B 51 -7.528 -15.898 18.096 1.00 1.27 C ATOM 1722 CG LYS B 51 -6.004 -15.841 18.210 1.00 2.06 C ATOM 1723 CD LYS B 51 -5.516 -14.440 17.832 1.00 2.71 C ATOM 1724 CE LYS B 51 -5.571 -14.273 16.312 1.00 3.57 C ATOM 1725 NZ LYS B 51 -6.156 -12.921 16.095 1.00 4.35 N ATOM 0 H LYS B 51 -6.599 -15.443 20.624 1.00 0.38 H new ATOM 0 HA LYS B 51 -9.213 -16.362 19.406 1.00 0.44 H new ATOM 0 HB2 LYS B 51 -7.819 -16.592 17.307 1.00 1.27 H new ATOM 0 HB3 LYS B 51 -7.920 -14.919 17.819 1.00 1.27 H new ATOM 0 HG2 LYS B 51 -5.695 -16.083 19.227 1.00 2.06 H new ATOM 0 HG3 LYS B 51 -5.551 -16.585 17.554 1.00 2.06 H new ATOM 0 HD2 LYS B 51 -6.137 -13.685 18.314 1.00 2.71 H new ATOM 0 HD3 LYS B 51 -4.497 -14.290 18.188 1.00 2.71 H new ATOM 0 HE2 LYS B 51 -4.577 -14.349 15.870 1.00 3.57 H new ATOM 0 HE3 LYS B 51 -6.185 -15.047 15.852 1.00 3.57 H new ATOM 0 HZ1 LYS B 51 -6.226 -12.733 15.075 1.00 4.35 H new ATOM 0 HZ2 LYS B 51 -7.104 -12.881 16.520 1.00 4.35 H new ATOM 0 HZ3 LYS B 51 -5.547 -12.204 16.538 1.00 4.35 H new ATOM 1739 N PRO B 52 -8.299 -18.329 20.767 1.00 1.79 N ATOM 1740 CA PRO B 52 -7.937 -19.694 21.224 1.00 2.79 C ATOM 1741 C PRO B 52 -8.071 -20.695 20.072 1.00 2.90 C ATOM 1742 O PRO B 52 -8.946 -20.581 19.237 1.00 3.05 O ATOM 1743 CB PRO B 52 -8.946 -20.001 22.333 1.00 3.58 C ATOM 1744 CG PRO B 52 -10.017 -18.960 22.213 1.00 3.28 C ATOM 1745 CD PRO B 52 -9.408 -17.765 21.535 1.00 2.28 C ATOM 0 HA PRO B 52 -6.907 -19.762 21.573 1.00 2.79 H new ATOM 0 HB2 PRO B 52 -9.360 -21.003 22.218 1.00 3.58 H new ATOM 0 HB3 PRO B 52 -8.472 -19.963 23.314 1.00 3.58 H new ATOM 0 HG2 PRO B 52 -10.860 -19.341 21.636 1.00 3.28 H new ATOM 0 HG3 PRO B 52 -10.401 -18.689 23.197 1.00 3.28 H new ATOM 0 HD2 PRO B 52 -10.127 -17.262 20.889 1.00 2.28 H new ATOM 0 HD3 PRO B 52 -9.060 -17.028 22.259 1.00 2.28 H new ATOM 1753 N ASN B 53 -7.209 -21.673 20.022 1.00 3.43 N ATOM 1754 CA ASN B 53 -7.287 -22.678 18.924 1.00 4.01 C ATOM 1755 C ASN B 53 -8.572 -23.500 19.048 1.00 4.61 C ATOM 1756 O ASN B 53 -9.415 -23.127 19.848 1.00 5.09 O ATOM 1757 CB ASN B 53 -6.059 -23.570 19.116 1.00 4.59 C ATOM 1758 CG ASN B 53 -4.798 -22.705 19.140 1.00 5.20 C ATOM 1759 OD1 ASN B 53 -3.933 -22.894 19.971 1.00 5.34 O ATOM 1760 ND2 ASN B 53 -4.656 -21.756 18.254 1.00 5.97 N ATOM 1761 OXT ASN B 53 -8.691 -24.489 18.344 1.00 4.97 O ATOM 0 H ASN B 53 -6.455 -21.820 20.693 1.00 3.43 H new ATOM 0 HA ASN B 53 -7.303 -22.212 17.939 1.00 4.01 H new ATOM 0 HB2 ASN B 53 -6.146 -24.131 20.047 1.00 4.59 H new ATOM 0 HB3 ASN B 53 -5.997 -24.300 18.309 1.00 4.59 H new ATOM 0 HD21 ASN B 53 -3.819 -21.174 18.260 1.00 5.97 H new ATOM 0 HD22 ASN B 53 -5.383 -21.597 17.556 1.00 5.97 H new TER 1768 ASN B 53