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 -145:sc= -0.215 (180deg=-1.45!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -150:sc= 0.00283 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0129 USER MOD Single : A 11 LYS NZ :NH3+ -107:sc= 0 (180deg=-0.0417) USER MOD Single : A 27 THR OG1 : rot 92:sc= 1.07 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0508 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -1.34! C(o=-1.3!,f=-5.1!) USER MOD Single : B 3 MET CE :methyl -160:sc= -0.166 (180deg=-1.34) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 SER OG : rot -77:sc= -4.12! USER MOD Single : B 6 THR OG1 : rot 180:sc=-0.00734 USER MOD Single : B 11 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0283) USER MOD Single : B 27 THR OG1 : rot 92:sc= 1.06 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 TYR OH : rot 180:sc= -0.076 USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= -0.0764 K(o=-0.076,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 2 -2.980 -21.445 43.466 1.00 8.91 N ATOM 2 CA PHE A 2 -3.271 -20.751 42.179 1.00 8.45 C ATOM 3 C PHE A 2 -1.964 -20.344 41.492 1.00 7.63 C ATOM 4 O PHE A 2 -1.047 -19.853 42.121 1.00 7.72 O ATOM 5 CB PHE A 2 -4.080 -19.513 42.569 1.00 8.96 C ATOM 6 CG PHE A 2 -4.553 -18.810 41.319 1.00 9.49 C ATOM 7 CD1 PHE A 2 -5.733 -19.221 40.688 1.00 9.80 C ATOM 8 CD2 PHE A 2 -3.812 -17.746 40.791 1.00 9.97 C ATOM 9 CE1 PHE A 2 -6.172 -18.569 39.529 1.00 10.54 C ATOM 10 CE2 PHE A 2 -4.251 -17.094 39.632 1.00 10.72 C ATOM 11 CZ PHE A 2 -5.430 -17.505 39.002 1.00 10.99 C ATOM 0 HA PHE A 2 -3.813 -21.387 41.480 1.00 8.45 H new ATOM 0 HB2 PHE A 2 -4.933 -19.801 43.183 1.00 8.96 H new ATOM 0 HB3 PHE A 2 -3.468 -18.839 43.169 1.00 8.96 H new ATOM 0 HD1 PHE A 2 -6.305 -20.041 41.095 1.00 9.80 H new ATOM 0 HD2 PHE A 2 -2.902 -17.428 41.278 1.00 9.97 H new ATOM 0 HE1 PHE A 2 -7.082 -18.887 39.042 1.00 10.54 H new ATOM 0 HE2 PHE A 2 -3.679 -16.274 39.225 1.00 10.72 H new ATOM 0 HZ PHE A 2 -5.768 -17.001 38.109 1.00 10.99 H new ATOM 21 N MET A 3 -1.866 -20.558 40.209 1.00 7.11 N ATOM 22 CA MET A 3 -0.613 -20.201 39.486 1.00 6.57 C ATOM 23 C MET A 3 -0.681 -18.753 38.992 1.00 5.78 C ATOM 24 O MET A 3 -1.728 -18.139 38.982 1.00 5.66 O ATOM 25 CB MET A 3 -0.546 -21.169 38.304 1.00 6.89 C ATOM 26 CG MET A 3 -0.426 -22.602 38.823 1.00 7.83 C ATOM 27 SD MET A 3 1.020 -22.733 39.903 1.00 8.58 S ATOM 28 CE MET A 3 2.269 -22.311 38.663 1.00 8.76 C ATOM 0 H MET A 3 -2.600 -20.965 39.630 1.00 7.11 H new ATOM 0 HA MET A 3 0.267 -20.277 40.124 1.00 6.57 H new ATOM 0 HB2 MET A 3 -1.439 -21.068 37.687 1.00 6.89 H new ATOM 0 HB3 MET A 3 0.308 -20.928 37.671 1.00 6.89 H new ATOM 0 HG2 MET A 3 -1.328 -22.879 39.369 1.00 7.83 H new ATOM 0 HG3 MET A 3 -0.334 -23.296 37.988 1.00 7.83 H new ATOM 0 HE1 MET A 3 3.178 -22.882 38.853 1.00 8.76 H new ATOM 0 HE2 MET A 3 1.891 -22.550 37.669 1.00 8.76 H new ATOM 0 HE3 MET A 3 2.492 -21.246 38.719 1.00 8.76 H new ATOM 38 N LYS A 4 0.433 -18.202 38.592 1.00 5.58 N ATOM 39 CA LYS A 4 0.436 -16.790 38.110 1.00 5.16 C ATOM 40 C LYS A 4 -0.313 -16.685 36.779 1.00 4.32 C ATOM 41 O LYS A 4 -0.695 -17.677 36.191 1.00 4.43 O ATOM 42 CB LYS A 4 1.913 -16.439 37.923 1.00 5.73 C ATOM 43 CG LYS A 4 2.663 -16.670 39.236 1.00 6.53 C ATOM 44 CD LYS A 4 2.114 -15.729 40.311 1.00 7.41 C ATOM 45 CE LYS A 4 2.975 -15.836 41.571 1.00 8.29 C ATOM 46 NZ LYS A 4 2.463 -14.771 42.478 1.00 8.85 N ATOM 0 H LYS A 4 1.340 -18.668 38.578 1.00 5.58 H new ATOM 0 HA LYS A 4 -0.059 -16.114 38.807 1.00 5.16 H new ATOM 0 HB2 LYS A 4 2.346 -17.051 37.132 1.00 5.73 H new ATOM 0 HB3 LYS A 4 2.014 -15.399 37.612 1.00 5.73 H new ATOM 0 HG2 LYS A 4 2.551 -17.707 39.554 1.00 6.53 H new ATOM 0 HG3 LYS A 4 3.729 -16.494 39.094 1.00 6.53 H new ATOM 0 HD2 LYS A 4 2.113 -14.702 39.945 1.00 7.41 H new ATOM 0 HD3 LYS A 4 1.080 -15.986 40.541 1.00 7.41 H new ATOM 0 HE2 LYS A 4 2.885 -16.821 42.028 1.00 8.29 H new ATOM 0 HE3 LYS A 4 4.030 -15.686 41.342 1.00 8.29 H new ATOM 0 HZ1 LYS A 4 3.005 -14.781 43.366 1.00 8.85 H new ATOM 0 HZ2 LYS A 4 2.568 -13.844 42.019 1.00 8.85 H new ATOM 0 HZ3 LYS A 4 1.458 -14.944 42.684 1.00 8.85 H new ATOM 60 N SER A 5 -0.557 -15.489 36.316 1.00 3.84 N ATOM 61 CA SER A 5 -1.315 -15.324 35.044 1.00 3.10 C ATOM 62 C SER A 5 -0.660 -16.143 33.930 1.00 2.34 C ATOM 63 O SER A 5 0.527 -16.404 33.953 1.00 2.87 O ATOM 64 CB SER A 5 -1.237 -13.831 34.728 1.00 3.66 C ATOM 65 OG SER A 5 -1.753 -13.091 35.827 1.00 4.20 O ATOM 0 H SER A 5 -0.264 -14.620 36.763 1.00 3.84 H new ATOM 0 HA SER A 5 -2.345 -15.669 35.129 1.00 3.10 H new ATOM 0 HB2 SER A 5 -0.204 -13.542 34.533 1.00 3.66 H new ATOM 0 HB3 SER A 5 -1.806 -13.608 33.825 1.00 3.66 H new ATOM 0 HG SER A 5 -2.148 -12.255 35.502 1.00 4.20 H new ATOM 71 N THR A 6 -1.426 -16.551 32.955 1.00 1.82 N ATOM 72 CA THR A 6 -0.858 -17.357 31.836 1.00 1.98 C ATOM 73 C THR A 6 -1.892 -17.499 30.717 1.00 1.52 C ATOM 74 O THR A 6 -2.345 -18.586 30.417 1.00 2.20 O ATOM 75 CB THR A 6 -0.545 -18.726 32.445 1.00 2.86 C ATOM 76 OG1 THR A 6 -1.455 -18.992 33.502 1.00 3.36 O ATOM 77 CG2 THR A 6 0.888 -18.741 32.980 1.00 3.77 C ATOM 0 H THR A 6 -2.425 -16.360 32.885 1.00 1.82 H new ATOM 0 HA THR A 6 0.028 -16.893 31.403 1.00 1.98 H new ATOM 0 HB THR A 6 -0.646 -19.494 31.678 1.00 2.86 H new ATOM 0 HG1 THR A 6 -1.256 -19.869 33.892 1.00 3.36 H new ATOM 0 HG21 THR A 6 1.105 -19.718 33.412 1.00 3.77 H new ATOM 0 HG22 THR A 6 1.583 -18.543 32.164 1.00 3.77 H new ATOM 0 HG23 THR A 6 0.999 -17.973 33.746 1.00 3.77 H new ATOM 85 N GLY A 7 -2.270 -16.416 30.091 1.00 0.83 N ATOM 86 CA GLY A 7 -3.273 -16.519 28.992 1.00 0.46 C ATOM 87 C GLY A 7 -4.692 -16.523 29.574 1.00 0.43 C ATOM 88 O GLY A 7 -5.504 -17.361 29.234 1.00 0.49 O ATOM 0 H GLY A 7 -1.932 -15.475 30.290 1.00 0.83 H new ATOM 0 HA2 GLY A 7 -3.156 -15.683 28.303 1.00 0.46 H new ATOM 0 HA3 GLY A 7 -3.104 -17.430 28.419 1.00 0.46 H new ATOM 92 N ILE A 8 -5.006 -15.592 30.438 1.00 0.37 N ATOM 93 CA ILE A 8 -6.384 -15.550 31.016 1.00 0.37 C ATOM 94 C ILE A 8 -7.184 -14.429 30.353 1.00 0.32 C ATOM 95 O ILE A 8 -6.648 -13.397 30.022 1.00 0.30 O ATOM 96 CB ILE A 8 -6.187 -15.259 32.500 1.00 0.40 C ATOM 97 CG1 ILE A 8 -5.242 -16.300 33.105 1.00 0.45 C ATOM 98 CG2 ILE A 8 -7.536 -15.322 33.217 1.00 0.43 C ATOM 99 CD1 ILE A 8 -4.945 -15.939 34.561 1.00 1.36 C ATOM 0 H ILE A 8 -4.373 -14.863 30.767 1.00 0.37 H new ATOM 0 HA ILE A 8 -6.931 -16.479 30.858 1.00 0.37 H new ATOM 0 HB ILE A 8 -5.757 -14.264 32.619 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -5.693 -17.291 33.050 1.00 0.45 H new ATOM 0 HG13 ILE A 8 -4.315 -16.340 32.533 1.00 0.45 H new ATOM 0 HG21 ILE A 8 -7.394 -15.114 34.278 1.00 0.43 H new ATOM 0 HG22 ILE A 8 -8.211 -14.581 32.789 1.00 0.43 H new ATOM 0 HG23 ILE A 8 -7.966 -16.316 33.097 1.00 0.43 H new ATOM 0 HD11 ILE A 8 -4.272 -16.681 34.990 1.00 1.36 H new ATOM 0 HD12 ILE A 8 -4.476 -14.956 34.604 1.00 1.36 H new ATOM 0 HD13 ILE A 8 -5.875 -15.922 35.129 1.00 1.36 H new ATOM 111 N VAL A 9 -8.410 -14.686 30.000 1.00 0.32 N ATOM 112 CA VAL A 9 -9.158 -13.695 29.171 1.00 0.29 C ATOM 113 C VAL A 9 -10.289 -13.038 29.970 1.00 0.32 C ATOM 114 O VAL A 9 -10.985 -13.680 30.731 1.00 0.37 O ATOM 115 CB VAL A 9 -9.720 -14.499 27.999 1.00 0.29 C ATOM 116 CG1 VAL A 9 -10.528 -13.575 27.086 1.00 0.27 C ATOM 117 CG2 VAL A 9 -8.566 -15.116 27.204 1.00 0.30 C ATOM 0 H VAL A 9 -8.926 -15.531 30.245 1.00 0.32 H new ATOM 0 HA VAL A 9 -8.512 -12.882 28.840 1.00 0.29 H new ATOM 0 HB VAL A 9 -10.366 -15.291 28.379 1.00 0.29 H new ATOM 0 HG11 VAL A 9 -10.929 -14.149 26.250 1.00 0.27 H new ATOM 0 HG12 VAL A 9 -11.350 -13.134 27.650 1.00 0.27 H new ATOM 0 HG13 VAL A 9 -9.882 -12.783 26.706 1.00 0.27 H new ATOM 0 HG21 VAL A 9 -8.966 -15.690 26.368 1.00 0.30 H new ATOM 0 HG22 VAL A 9 -7.921 -14.324 26.825 1.00 0.30 H new ATOM 0 HG23 VAL A 9 -7.989 -15.775 27.853 1.00 0.30 H new ATOM 127 N ARG A 10 -10.525 -11.776 29.724 1.00 0.31 N ATOM 128 CA ARG A 10 -11.667 -11.076 30.379 1.00 0.36 C ATOM 129 C ARG A 10 -12.550 -10.426 29.310 1.00 0.31 C ATOM 130 O ARG A 10 -12.155 -10.289 28.171 1.00 0.27 O ATOM 131 CB ARG A 10 -11.025 -10.012 31.271 1.00 0.40 C ATOM 132 CG ARG A 10 -12.114 -9.284 32.062 1.00 0.73 C ATOM 133 CD ARG A 10 -12.673 -10.216 33.140 1.00 0.86 C ATOM 134 NE ARG A 10 -13.765 -9.438 33.791 1.00 1.13 N ATOM 135 CZ ARG A 10 -14.691 -10.053 34.475 1.00 1.36 C ATOM 136 NH1 ARG A 10 -14.667 -11.353 34.594 1.00 1.61 N ATOM 137 NH2 ARG A 10 -15.645 -9.366 35.042 1.00 1.91 N ATOM 0 H ARG A 10 -9.971 -11.197 29.093 1.00 0.31 H new ATOM 0 HA ARG A 10 -12.300 -11.752 30.955 1.00 0.36 H new ATOM 0 HB2 ARG A 10 -10.313 -10.476 31.954 1.00 0.40 H new ATOM 0 HB3 ARG A 10 -10.466 -9.301 30.662 1.00 0.40 H new ATOM 0 HG2 ARG A 10 -11.705 -8.384 32.521 1.00 0.73 H new ATOM 0 HG3 ARG A 10 -12.913 -8.965 31.392 1.00 0.73 H new ATOM 0 HD2 ARG A 10 -13.052 -11.141 32.705 1.00 0.86 H new ATOM 0 HD3 ARG A 10 -11.903 -10.494 33.860 1.00 0.86 H new ATOM 0 HE ARG A 10 -13.789 -8.422 33.702 1.00 1.13 H new ATOM 0 HH11 ARG A 10 -13.923 -11.892 34.152 1.00 1.61 H new ATOM 0 HH12 ARG A 10 -15.393 -11.830 35.129 1.00 1.61 H new ATOM 0 HH21 ARG A 10 -15.666 -8.350 34.950 1.00 1.91 H new ATOM 0 HH22 ARG A 10 -16.370 -9.845 35.577 1.00 1.91 H new ATOM 151 N LYS A 11 -13.756 -10.063 29.651 1.00 0.32 N ATOM 152 CA LYS A 11 -14.669 -9.471 28.629 1.00 0.29 C ATOM 153 C LYS A 11 -14.422 -7.964 28.499 1.00 0.26 C ATOM 154 O LYS A 11 -14.103 -7.292 29.459 1.00 0.27 O ATOM 155 CB LYS A 11 -16.080 -9.742 29.151 1.00 0.33 C ATOM 156 CG LYS A 11 -16.327 -11.251 29.200 1.00 1.02 C ATOM 157 CD LYS A 11 -17.775 -11.518 29.614 1.00 1.03 C ATOM 158 CE LYS A 11 -17.988 -13.024 29.783 1.00 1.81 C ATOM 159 NZ LYS A 11 -18.219 -13.536 28.404 1.00 2.21 N ATOM 0 H LYS A 11 -14.149 -10.150 30.588 1.00 0.32 H new ATOM 0 HA LYS A 11 -14.511 -9.901 27.640 1.00 0.29 H new ATOM 0 HB2 LYS A 11 -16.200 -9.311 30.145 1.00 0.33 H new ATOM 0 HB3 LYS A 11 -16.816 -9.263 28.505 1.00 0.33 H new ATOM 0 HG2 LYS A 11 -16.129 -11.694 28.224 1.00 1.02 H new ATOM 0 HG3 LYS A 11 -15.643 -11.719 29.908 1.00 1.02 H new ATOM 0 HD2 LYS A 11 -17.999 -11.001 30.547 1.00 1.03 H new ATOM 0 HD3 LYS A 11 -18.458 -11.126 28.861 1.00 1.03 H new ATOM 0 HE2 LYS A 11 -17.119 -13.497 30.239 1.00 1.81 H new ATOM 0 HE3 LYS A 11 -18.840 -13.232 30.430 1.00 1.81 H new ATOM 0 HZ1 LYS A 11 -19.223 -13.779 28.288 1.00 2.21 H new ATOM 0 HZ2 LYS A 11 -17.958 -12.803 27.713 1.00 2.21 H new ATOM 0 HZ3 LYS A 11 -17.637 -14.383 28.246 1.00 2.21 H new ATOM 173 N VAL A 12 -14.579 -7.430 27.316 1.00 0.22 N ATOM 174 CA VAL A 12 -14.366 -5.964 27.123 1.00 0.21 C ATOM 175 C VAL A 12 -15.634 -5.200 27.504 1.00 0.20 C ATOM 176 O VAL A 12 -16.716 -5.524 27.060 1.00 0.20 O ATOM 177 CB VAL A 12 -14.087 -5.791 25.628 1.00 0.20 C ATOM 178 CG1 VAL A 12 -13.470 -4.414 25.380 1.00 0.28 C ATOM 179 CG2 VAL A 12 -13.122 -6.878 25.148 1.00 0.28 C ATOM 0 H VAL A 12 -14.845 -7.944 26.476 1.00 0.22 H new ATOM 0 HA VAL A 12 -13.552 -5.584 27.740 1.00 0.21 H new ATOM 0 HB VAL A 12 -15.024 -5.876 25.077 1.00 0.20 H new ATOM 0 HG11 VAL A 12 -13.271 -4.291 24.315 1.00 0.28 H new ATOM 0 HG12 VAL A 12 -14.162 -3.640 25.712 1.00 0.28 H new ATOM 0 HG13 VAL A 12 -12.536 -4.328 25.936 1.00 0.28 H new ATOM 0 HG21 VAL A 12 -12.928 -6.748 24.083 1.00 0.28 H new ATOM 0 HG22 VAL A 12 -12.185 -6.802 25.699 1.00 0.28 H new ATOM 0 HG23 VAL A 12 -13.565 -7.859 25.319 1.00 0.28 H new ATOM 189 N ASP A 13 -15.516 -4.185 28.314 1.00 0.20 N ATOM 190 CA ASP A 13 -16.728 -3.410 28.703 1.00 0.21 C ATOM 191 C ASP A 13 -17.047 -2.359 27.630 1.00 0.22 C ATOM 192 O ASP A 13 -16.488 -2.374 26.551 1.00 0.22 O ATOM 193 CB ASP A 13 -16.383 -2.766 30.053 1.00 0.21 C ATOM 194 CG ASP A 13 -15.750 -1.390 29.846 1.00 0.32 C ATOM 195 OD1 ASP A 13 -14.552 -1.329 29.630 1.00 0.26 O ATOM 196 OD2 ASP A 13 -16.476 -0.414 29.908 1.00 0.55 O ATOM 0 H ASP A 13 -14.639 -3.860 28.721 1.00 0.20 H new ATOM 0 HA ASP A 13 -17.617 -4.035 28.789 1.00 0.21 H new ATOM 0 HB2 ASP A 13 -17.285 -2.670 30.658 1.00 0.21 H new ATOM 0 HB3 ASP A 13 -15.697 -3.409 30.604 1.00 0.21 H new ATOM 201 N GLU A 14 -18.030 -1.537 27.865 1.00 0.23 N ATOM 202 CA GLU A 14 -18.491 -0.599 26.799 1.00 0.26 C ATOM 203 C GLU A 14 -17.348 0.292 26.295 1.00 0.26 C ATOM 204 O GLU A 14 -17.303 0.650 25.134 1.00 0.29 O ATOM 205 CB GLU A 14 -19.574 0.251 27.465 1.00 0.28 C ATOM 206 CG GLU A 14 -20.753 -0.639 27.860 1.00 1.22 C ATOM 207 CD GLU A 14 -21.862 0.222 28.467 1.00 1.57 C ATOM 208 OE1 GLU A 14 -21.612 1.392 28.705 1.00 2.19 O ATOM 209 OE2 GLU A 14 -22.941 -0.303 28.685 1.00 1.99 O ATOM 0 H GLU A 14 -18.536 -1.472 28.748 1.00 0.23 H new ATOM 0 HA GLU A 14 -18.858 -1.139 25.926 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -19.169 0.748 28.346 1.00 0.28 H new ATOM 0 HB3 GLU A 14 -19.908 1.033 26.783 1.00 0.28 H new ATOM 0 HG2 GLU A 14 -21.129 -1.172 26.986 1.00 1.22 H new ATOM 0 HG3 GLU A 14 -20.429 -1.392 28.578 1.00 1.22 H new ATOM 216 N LEU A 15 -16.494 0.750 27.167 1.00 0.23 N ATOM 217 CA LEU A 15 -15.451 1.726 26.734 1.00 0.24 C ATOM 218 C LEU A 15 -14.240 1.018 26.117 1.00 0.22 C ATOM 219 O LEU A 15 -13.326 1.655 25.632 1.00 0.24 O ATOM 220 CB LEU A 15 -15.039 2.470 28.004 1.00 0.28 C ATOM 221 CG LEU A 15 -13.869 3.402 27.686 1.00 0.38 C ATOM 222 CD1 LEU A 15 -14.182 4.208 26.423 1.00 1.28 C ATOM 223 CD2 LEU A 15 -13.650 4.361 28.857 1.00 1.38 C ATOM 0 H LEU A 15 -16.471 0.494 28.154 1.00 0.23 H new ATOM 0 HA LEU A 15 -15.836 2.398 25.967 1.00 0.24 H new ATOM 0 HB2 LEU A 15 -15.881 3.043 28.393 1.00 0.28 H new ATOM 0 HB3 LEU A 15 -14.753 1.759 28.779 1.00 0.28 H new ATOM 0 HG LEU A 15 -12.969 2.809 27.524 1.00 0.38 H new ATOM 0 HD11 LEU A 15 -13.347 4.871 26.198 1.00 1.28 H new ATOM 0 HD12 LEU A 15 -14.340 3.527 25.587 1.00 1.28 H new ATOM 0 HD13 LEU A 15 -15.083 4.800 26.583 1.00 1.28 H new ATOM 0 HD21 LEU A 15 -12.816 5.026 28.632 1.00 1.38 H new ATOM 0 HD22 LEU A 15 -14.552 4.952 29.017 1.00 1.38 H new ATOM 0 HD23 LEU A 15 -13.425 3.790 29.758 1.00 1.38 H new ATOM 235 N GLY A 16 -14.192 -0.285 26.161 1.00 0.21 N ATOM 236 CA GLY A 16 -12.998 -0.987 25.611 1.00 0.19 C ATOM 237 C GLY A 16 -11.861 -0.954 26.637 1.00 0.20 C ATOM 238 O GLY A 16 -10.738 -0.599 26.327 1.00 0.20 O ATOM 0 H GLY A 16 -14.918 -0.888 26.549 1.00 0.21 H new ATOM 0 HA2 GLY A 16 -13.251 -2.019 25.367 1.00 0.19 H new ATOM 0 HA3 GLY A 16 -12.679 -0.510 24.684 1.00 0.19 H new ATOM 242 N ARG A 17 -12.151 -1.260 27.871 1.00 0.24 N ATOM 243 CA ARG A 17 -11.099 -1.188 28.922 1.00 0.26 C ATOM 244 C ARG A 17 -10.794 -2.590 29.456 1.00 0.26 C ATOM 245 O ARG A 17 -11.618 -3.481 29.399 1.00 0.26 O ATOM 246 CB ARG A 17 -11.698 -0.306 30.018 1.00 0.28 C ATOM 247 CG ARG A 17 -11.852 1.123 29.494 1.00 0.28 C ATOM 248 CD ARG A 17 -12.389 2.023 30.606 1.00 0.29 C ATOM 249 NE ARG A 17 -13.803 1.598 30.796 1.00 0.57 N ATOM 250 CZ ARG A 17 -14.640 2.378 31.431 1.00 0.79 C ATOM 251 NH1 ARG A 17 -14.227 3.508 31.939 1.00 0.73 N ATOM 252 NH2 ARG A 17 -15.891 2.028 31.562 1.00 1.15 N ATOM 0 H ARG A 17 -13.071 -1.557 28.197 1.00 0.24 H new ATOM 0 HA ARG A 17 -10.159 -0.783 28.546 1.00 0.26 H new ATOM 0 HB2 ARG A 17 -12.667 -0.698 30.326 1.00 0.28 H new ATOM 0 HB3 ARG A 17 -11.056 -0.315 30.899 1.00 0.28 H new ATOM 0 HG2 ARG A 17 -10.891 1.497 29.142 1.00 0.28 H new ATOM 0 HG3 ARG A 17 -12.531 1.137 28.641 1.00 0.28 H new ATOM 0 HD2 ARG A 17 -11.814 1.902 31.524 1.00 0.29 H new ATOM 0 HD3 ARG A 17 -12.327 3.075 30.327 1.00 0.29 H new ATOM 0 HE ARG A 17 -14.119 0.699 30.431 1.00 0.57 H new ATOM 0 HH11 ARG A 17 -13.250 3.784 31.841 1.00 0.73 H new ATOM 0 HH12 ARG A 17 -14.881 4.114 32.434 1.00 0.73 H new ATOM 0 HH21 ARG A 17 -16.217 1.145 31.169 1.00 1.15 H new ATOM 0 HH22 ARG A 17 -16.542 2.637 32.057 1.00 1.15 H new ATOM 266 N VAL A 18 -9.614 -2.790 29.973 1.00 0.26 N ATOM 267 CA VAL A 18 -9.251 -4.132 30.509 1.00 0.25 C ATOM 268 C VAL A 18 -8.817 -4.005 31.970 1.00 0.24 C ATOM 269 O VAL A 18 -8.403 -2.952 32.411 1.00 0.24 O ATOM 270 CB VAL A 18 -8.083 -4.603 29.642 1.00 0.26 C ATOM 271 CG1 VAL A 18 -8.484 -4.542 28.168 1.00 0.28 C ATOM 272 CG2 VAL A 18 -6.873 -3.696 29.879 1.00 0.26 C ATOM 0 H VAL A 18 -8.884 -2.081 30.048 1.00 0.26 H new ATOM 0 HA VAL A 18 -10.085 -4.833 30.479 1.00 0.25 H new ATOM 0 HB VAL A 18 -7.826 -5.629 29.906 1.00 0.26 H new ATOM 0 HG11 VAL A 18 -7.651 -4.878 27.550 1.00 0.28 H new ATOM 0 HG12 VAL A 18 -9.345 -5.188 27.998 1.00 0.28 H new ATOM 0 HG13 VAL A 18 -8.742 -3.517 27.903 1.00 0.28 H new ATOM 0 HG21 VAL A 18 -6.040 -4.032 29.261 1.00 0.26 H new ATOM 0 HG22 VAL A 18 -7.130 -2.670 29.615 1.00 0.26 H new ATOM 0 HG23 VAL A 18 -6.586 -3.740 30.930 1.00 0.26 H new ATOM 282 N VAL A 19 -8.985 -5.041 32.743 1.00 0.22 N ATOM 283 CA VAL A 19 -8.668 -4.938 34.195 1.00 0.21 C ATOM 284 C VAL A 19 -7.441 -5.783 34.541 1.00 0.22 C ATOM 285 O VAL A 19 -7.357 -6.944 34.192 1.00 0.23 O ATOM 286 CB VAL A 19 -9.907 -5.479 34.907 1.00 0.22 C ATOM 287 CG1 VAL A 19 -9.781 -5.233 36.412 1.00 0.23 C ATOM 288 CG2 VAL A 19 -11.152 -4.768 34.374 1.00 0.24 C ATOM 0 H VAL A 19 -9.327 -5.951 32.434 1.00 0.22 H new ATOM 0 HA VAL A 19 -8.436 -3.915 34.491 1.00 0.21 H new ATOM 0 HB VAL A 19 -9.994 -6.550 34.722 1.00 0.22 H new ATOM 0 HG11 VAL A 19 -10.665 -5.619 36.919 1.00 0.23 H new ATOM 0 HG12 VAL A 19 -8.894 -5.741 36.791 1.00 0.23 H new ATOM 0 HG13 VAL A 19 -9.694 -4.163 36.600 1.00 0.23 H new ATOM 0 HG21 VAL A 19 -12.036 -5.153 34.881 1.00 0.24 H new ATOM 0 HG22 VAL A 19 -11.066 -3.697 34.558 1.00 0.24 H new ATOM 0 HG23 VAL A 19 -11.242 -4.946 33.302 1.00 0.24 H new ATOM 298 N ILE A 20 -6.538 -5.240 35.311 1.00 0.22 N ATOM 299 CA ILE A 20 -5.380 -6.047 35.780 1.00 0.24 C ATOM 300 C ILE A 20 -5.795 -6.890 36.989 1.00 0.24 C ATOM 301 O ILE A 20 -6.402 -6.387 37.907 1.00 0.23 O ATOM 302 CB ILE A 20 -4.325 -5.007 36.171 1.00 0.23 C ATOM 303 CG1 ILE A 20 -3.576 -4.548 34.917 1.00 0.29 C ATOM 304 CG2 ILE A 20 -3.331 -5.612 37.165 1.00 0.24 C ATOM 305 CD1 ILE A 20 -2.760 -3.295 35.239 1.00 1.38 C ATOM 0 H ILE A 20 -6.553 -4.273 35.635 1.00 0.22 H new ATOM 0 HA ILE A 20 -5.007 -6.740 35.026 1.00 0.24 H new ATOM 0 HB ILE A 20 -4.820 -4.156 36.638 1.00 0.23 H new ATOM 0 HG12 ILE A 20 -2.918 -5.342 34.562 1.00 0.29 H new ATOM 0 HG13 ILE A 20 -4.283 -4.338 34.115 1.00 0.29 H new ATOM 0 HG21 ILE A 20 -2.586 -4.864 37.436 1.00 0.24 H new ATOM 0 HG22 ILE A 20 -3.863 -5.935 38.060 1.00 0.24 H new ATOM 0 HG23 ILE A 20 -2.835 -6.469 36.708 1.00 0.24 H new ATOM 0 HD11 ILE A 20 -2.227 -2.969 34.346 1.00 1.38 H new ATOM 0 HD12 ILE A 20 -3.428 -2.501 35.573 1.00 1.38 H new ATOM 0 HD13 ILE A 20 -2.042 -3.521 36.028 1.00 1.38 H new ATOM 317 N PRO A 21 -5.406 -8.136 36.975 1.00 0.28 N ATOM 318 CA PRO A 21 -5.694 -9.032 38.121 1.00 0.30 C ATOM 319 C PRO A 21 -5.085 -8.455 39.401 1.00 0.28 C ATOM 320 O PRO A 21 -4.024 -7.866 39.382 1.00 0.27 O ATOM 321 CB PRO A 21 -5.028 -10.357 37.745 1.00 0.35 C ATOM 322 CG PRO A 21 -4.141 -10.056 36.574 1.00 0.35 C ATOM 323 CD PRO A 21 -4.672 -8.817 35.909 1.00 0.32 C ATOM 0 HA PRO A 21 -6.761 -9.152 38.310 1.00 0.30 H new ATOM 0 HB2 PRO A 21 -4.451 -10.754 38.580 1.00 0.35 H new ATOM 0 HB3 PRO A 21 -5.774 -11.109 37.487 1.00 0.35 H new ATOM 0 HG2 PRO A 21 -3.113 -9.904 36.902 1.00 0.35 H new ATOM 0 HG3 PRO A 21 -4.133 -10.892 35.875 1.00 0.35 H new ATOM 0 HD2 PRO A 21 -3.866 -8.196 35.518 1.00 0.32 H new ATOM 0 HD3 PRO A 21 -5.322 -9.061 35.069 1.00 0.32 H new ATOM 331 N ILE A 22 -5.757 -8.589 40.511 1.00 0.30 N ATOM 332 CA ILE A 22 -5.222 -8.006 41.777 1.00 0.30 C ATOM 333 C ILE A 22 -3.811 -8.523 42.046 1.00 0.32 C ATOM 334 O ILE A 22 -2.982 -7.830 42.600 1.00 0.32 O ATOM 335 CB ILE A 22 -6.186 -8.472 42.869 1.00 0.35 C ATOM 336 CG1 ILE A 22 -5.923 -7.683 44.154 1.00 0.41 C ATOM 337 CG2 ILE A 22 -5.974 -9.963 43.134 1.00 0.42 C ATOM 338 CD1 ILE A 22 -6.240 -6.206 43.922 1.00 1.11 C ATOM 0 H ILE A 22 -6.650 -9.075 40.598 1.00 0.30 H new ATOM 0 HA ILE A 22 -5.154 -6.919 41.733 1.00 0.30 H new ATOM 0 HB ILE A 22 -7.212 -8.303 42.543 1.00 0.35 H new ATOM 0 HG12 ILE A 22 -6.537 -8.074 44.965 1.00 0.41 H new ATOM 0 HG13 ILE A 22 -4.883 -7.799 44.457 1.00 0.41 H new ATOM 0 HG21 ILE A 22 -6.661 -10.295 43.912 1.00 0.42 H new ATOM 0 HG22 ILE A 22 -6.162 -10.525 42.219 1.00 0.42 H new ATOM 0 HG23 ILE A 22 -4.948 -10.132 43.459 1.00 0.42 H new ATOM 0 HD11 ILE A 22 -6.052 -5.645 44.838 1.00 1.11 H new ATOM 0 HD12 ILE A 22 -5.607 -5.819 43.123 1.00 1.11 H new ATOM 0 HD13 ILE A 22 -7.287 -6.099 43.639 1.00 1.11 H new ATOM 350 N GLU A 23 -3.522 -9.728 41.650 1.00 0.36 N ATOM 351 CA GLU A 23 -2.151 -10.266 41.878 1.00 0.40 C ATOM 352 C GLU A 23 -1.120 -9.377 41.179 1.00 0.37 C ATOM 353 O GLU A 23 -0.036 -9.148 41.677 1.00 0.39 O ATOM 354 CB GLU A 23 -2.166 -11.659 41.246 1.00 0.44 C ATOM 355 CG GLU A 23 -3.154 -12.552 42.000 1.00 1.22 C ATOM 356 CD GLU A 23 -3.116 -13.965 41.415 1.00 1.62 C ATOM 357 OE1 GLU A 23 -2.479 -14.143 40.390 1.00 2.01 O ATOM 358 OE2 GLU A 23 -3.725 -14.844 42.002 1.00 2.37 O ATOM 0 H GLU A 23 -4.169 -10.362 41.181 1.00 0.36 H new ATOM 0 HA GLU A 23 -1.886 -10.298 42.935 1.00 0.40 H new ATOM 0 HB2 GLU A 23 -2.450 -11.590 40.196 1.00 0.44 H new ATOM 0 HB3 GLU A 23 -1.168 -12.095 41.278 1.00 0.44 H new ATOM 0 HG2 GLU A 23 -2.900 -12.579 43.060 1.00 1.22 H new ATOM 0 HG3 GLU A 23 -4.161 -12.143 41.924 1.00 1.22 H new ATOM 365 N LEU A 24 -1.473 -8.835 40.046 1.00 0.34 N ATOM 366 CA LEU A 24 -0.544 -7.924 39.324 1.00 0.33 C ATOM 367 C LEU A 24 -0.614 -6.513 39.909 1.00 0.29 C ATOM 368 O LEU A 24 0.374 -5.812 39.964 1.00 0.29 O ATOM 369 CB LEU A 24 -1.020 -7.931 37.872 1.00 0.33 C ATOM 370 CG LEU A 24 -0.834 -9.329 37.279 1.00 0.94 C ATOM 371 CD1 LEU A 24 -1.172 -9.302 35.787 1.00 1.41 C ATOM 372 CD2 LEU A 24 0.620 -9.768 37.462 1.00 1.75 C ATOM 0 H LEU A 24 -2.371 -8.986 39.587 1.00 0.34 H new ATOM 0 HA LEU A 24 0.493 -8.247 39.411 1.00 0.33 H new ATOM 0 HB2 LEU A 24 -2.069 -7.640 37.821 1.00 0.33 H new ATOM 0 HB3 LEU A 24 -0.458 -7.200 37.291 1.00 0.33 H new ATOM 0 HG LEU A 24 -1.495 -10.030 37.788 1.00 0.94 H new ATOM 0 HD11 LEU A 24 -1.039 -10.298 35.366 1.00 1.41 H new ATOM 0 HD12 LEU A 24 -2.207 -8.987 35.654 1.00 1.41 H new ATOM 0 HD13 LEU A 24 -0.511 -8.601 35.277 1.00 1.41 H new ATOM 0 HD21 LEU A 24 0.755 -10.764 37.040 1.00 1.75 H new ATOM 0 HD22 LEU A 24 1.279 -9.065 36.952 1.00 1.75 H new ATOM 0 HD23 LEU A 24 0.863 -9.788 38.524 1.00 1.75 H new ATOM 384 N ARG A 25 -1.748 -6.116 40.419 1.00 0.25 N ATOM 385 CA ARG A 25 -1.819 -4.779 41.074 1.00 0.23 C ATOM 386 C ARG A 25 -0.799 -4.721 42.209 1.00 0.25 C ATOM 387 O ARG A 25 -0.126 -3.729 42.402 1.00 0.25 O ATOM 388 CB ARG A 25 -3.236 -4.657 41.645 1.00 0.22 C ATOM 389 CG ARG A 25 -4.280 -4.731 40.529 1.00 0.21 C ATOM 390 CD ARG A 25 -5.656 -4.383 41.111 1.00 0.22 C ATOM 391 NE ARG A 25 -6.644 -4.941 40.152 1.00 0.23 N ATOM 392 CZ ARG A 25 -7.874 -5.162 40.531 1.00 0.26 C ATOM 393 NH1 ARG A 25 -8.247 -4.884 41.751 1.00 0.30 N ATOM 394 NH2 ARG A 25 -8.735 -5.661 39.686 1.00 0.27 N ATOM 0 H ARG A 25 -2.617 -6.651 40.411 1.00 0.25 H new ATOM 0 HA ARG A 25 -1.603 -3.972 40.374 1.00 0.23 H new ATOM 0 HB2 ARG A 25 -3.412 -5.454 42.367 1.00 0.22 H new ATOM 0 HB3 ARG A 25 -3.337 -3.713 42.181 1.00 0.22 H new ATOM 0 HG2 ARG A 25 -4.024 -4.039 39.727 1.00 0.21 H new ATOM 0 HG3 ARG A 25 -4.297 -5.730 40.094 1.00 0.21 H new ATOM 0 HD2 ARG A 25 -5.784 -4.816 42.103 1.00 0.22 H new ATOM 0 HD3 ARG A 25 -5.777 -3.305 41.216 1.00 0.22 H new ATOM 0 HE ARG A 25 -6.361 -5.152 39.195 1.00 0.23 H new ATOM 0 HH11 ARG A 25 -7.577 -4.492 42.413 1.00 0.30 H new ATOM 0 HH12 ARG A 25 -9.209 -5.058 42.042 1.00 0.30 H new ATOM 0 HH21 ARG A 25 -8.446 -5.877 38.732 1.00 0.27 H new ATOM 0 HH22 ARG A 25 -9.696 -5.834 39.980 1.00 0.27 H new ATOM 408 N ARG A 26 -0.723 -5.758 42.993 1.00 0.29 N ATOM 409 CA ARG A 26 0.210 -5.741 44.159 1.00 0.33 C ATOM 410 C ARG A 26 1.661 -5.890 43.692 1.00 0.35 C ATOM 411 O ARG A 26 2.532 -5.141 44.090 1.00 0.35 O ATOM 412 CB ARG A 26 -0.200 -6.944 45.008 1.00 0.37 C ATOM 413 CG ARG A 26 -1.617 -6.730 45.546 1.00 1.07 C ATOM 414 CD ARG A 26 -1.979 -7.871 46.498 1.00 1.25 C ATOM 415 NE ARG A 26 -1.802 -9.113 45.695 1.00 1.85 N ATOM 416 CZ ARG A 26 -1.749 -10.275 46.287 1.00 2.32 C ATOM 417 NH1 ARG A 26 -1.850 -10.356 47.587 1.00 2.40 N ATOM 418 NH2 ARG A 26 -1.593 -11.360 45.578 1.00 3.26 N ATOM 0 H ARG A 26 -1.263 -6.616 42.880 1.00 0.29 H new ATOM 0 HA ARG A 26 0.153 -4.804 44.713 1.00 0.33 H new ATOM 0 HB2 ARG A 26 -0.160 -7.855 44.410 1.00 0.37 H new ATOM 0 HB3 ARG A 26 0.498 -7.074 45.835 1.00 0.37 H new ATOM 0 HG2 ARG A 26 -1.679 -5.774 46.066 1.00 1.07 H new ATOM 0 HG3 ARG A 26 -2.329 -6.691 44.721 1.00 1.07 H new ATOM 0 HD2 ARG A 26 -1.333 -7.873 47.376 1.00 1.25 H new ATOM 0 HD3 ARG A 26 -3.004 -7.776 46.857 1.00 1.25 H new ATOM 0 HE ARG A 26 -1.722 -9.055 44.680 1.00 1.85 H new ATOM 0 HH11 ARG A 26 -1.971 -9.509 48.143 1.00 2.40 H new ATOM 0 HH12 ARG A 26 -1.808 -11.266 48.046 1.00 2.40 H new ATOM 0 HH21 ARG A 26 -1.513 -11.299 44.563 1.00 3.26 H new ATOM 0 HH22 ARG A 26 -1.551 -12.269 46.039 1.00 3.26 H new ATOM 432 N THR A 27 1.932 -6.864 42.869 1.00 0.37 N ATOM 433 CA THR A 27 3.334 -7.087 42.405 1.00 0.41 C ATOM 434 C THR A 27 3.837 -5.900 41.580 1.00 0.39 C ATOM 435 O THR A 27 5.020 -5.622 41.539 1.00 0.42 O ATOM 436 CB THR A 27 3.268 -8.348 41.541 1.00 0.44 C ATOM 437 OG1 THR A 27 2.680 -9.403 42.290 1.00 0.61 O ATOM 438 CG2 THR A 27 4.678 -8.749 41.110 1.00 0.77 C ATOM 0 H THR A 27 1.243 -7.517 42.496 1.00 0.37 H new ATOM 0 HA THR A 27 4.024 -7.193 43.242 1.00 0.41 H new ATOM 0 HB THR A 27 2.664 -8.150 40.655 1.00 0.44 H new ATOM 0 HG1 THR A 27 1.712 -9.415 42.135 1.00 0.61 H new ATOM 0 HG21 THR A 27 4.629 -9.647 40.495 1.00 0.77 H new ATOM 0 HG22 THR A 27 5.127 -7.939 40.535 1.00 0.77 H new ATOM 0 HG23 THR A 27 5.286 -8.947 41.993 1.00 0.77 H new ATOM 446 N LEU A 28 2.966 -5.233 40.879 1.00 0.35 N ATOM 447 CA LEU A 28 3.418 -4.112 40.006 1.00 0.34 C ATOM 448 C LEU A 28 3.461 -2.796 40.791 1.00 0.32 C ATOM 449 O LEU A 28 3.906 -1.783 40.288 1.00 0.33 O ATOM 450 CB LEU A 28 2.379 -4.042 38.884 1.00 0.32 C ATOM 451 CG LEU A 28 2.887 -3.119 37.775 1.00 0.44 C ATOM 452 CD1 LEU A 28 4.018 -3.814 37.011 1.00 0.70 C ATOM 453 CD2 LEU A 28 1.741 -2.803 36.812 1.00 1.05 C ATOM 0 H LEU A 28 1.962 -5.413 40.871 1.00 0.35 H new ATOM 0 HA LEU A 28 4.425 -4.273 39.621 1.00 0.34 H new ATOM 0 HB2 LEU A 28 2.192 -5.039 38.485 1.00 0.32 H new ATOM 0 HB3 LEU A 28 1.431 -3.672 39.274 1.00 0.32 H new ATOM 0 HG LEU A 28 3.260 -2.194 38.214 1.00 0.44 H new ATOM 0 HD11 LEU A 28 4.381 -3.157 36.221 1.00 0.70 H new ATOM 0 HD12 LEU A 28 4.834 -4.041 37.697 1.00 0.70 H new ATOM 0 HD13 LEU A 28 3.645 -4.739 36.571 1.00 0.70 H new ATOM 0 HD21 LEU A 28 2.101 -2.145 36.021 1.00 1.05 H new ATOM 0 HD22 LEU A 28 1.369 -3.729 36.373 1.00 1.05 H new ATOM 0 HD23 LEU A 28 0.935 -2.310 37.355 1.00 1.05 H new ATOM 465 N GLY A 29 3.029 -2.803 42.022 1.00 0.32 N ATOM 466 CA GLY A 29 3.076 -1.553 42.831 1.00 0.32 C ATOM 467 C GLY A 29 2.120 -0.518 42.236 1.00 0.29 C ATOM 468 O GLY A 29 2.453 0.643 42.103 1.00 0.29 O ATOM 0 H GLY A 29 2.647 -3.618 42.501 1.00 0.32 H new ATOM 0 HA2 GLY A 29 2.800 -1.766 43.864 1.00 0.32 H new ATOM 0 HA3 GLY A 29 4.091 -1.157 42.848 1.00 0.32 H new ATOM 472 N ILE A 30 0.945 -0.930 41.859 1.00 0.27 N ATOM 473 CA ILE A 30 -0.023 0.030 41.252 1.00 0.24 C ATOM 474 C ILE A 30 -1.260 0.182 42.138 1.00 0.23 C ATOM 475 O ILE A 30 -1.756 -0.771 42.707 1.00 0.26 O ATOM 476 CB ILE A 30 -0.401 -0.576 39.903 1.00 0.26 C ATOM 477 CG1 ILE A 30 0.862 -0.781 39.064 1.00 0.41 C ATOM 478 CG2 ILE A 30 -1.352 0.369 39.167 1.00 0.33 C ATOM 479 CD1 ILE A 30 1.671 0.520 39.036 1.00 0.29 C ATOM 0 H ILE A 30 0.610 -1.890 41.944 1.00 0.27 H new ATOM 0 HA ILE A 30 0.408 1.025 41.144 1.00 0.24 H new ATOM 0 HB ILE A 30 -0.893 -1.536 40.062 1.00 0.26 H new ATOM 0 HG12 ILE A 30 1.464 -1.587 39.483 1.00 0.41 H new ATOM 0 HG13 ILE A 30 0.594 -1.078 38.050 1.00 0.41 H new ATOM 0 HG21 ILE A 30 -1.622 -0.064 38.204 1.00 0.33 H new ATOM 0 HG22 ILE A 30 -2.252 0.516 39.764 1.00 0.33 H new ATOM 0 HG23 ILE A 30 -0.861 1.329 39.008 1.00 0.33 H new ATOM 0 HD11 ILE A 30 2.571 0.376 38.439 1.00 0.29 H new ATOM 0 HD12 ILE A 30 1.067 1.314 38.597 1.00 0.29 H new ATOM 0 HD13 ILE A 30 1.951 0.797 40.053 1.00 0.29 H new ATOM 491 N ALA A 31 -1.729 1.386 42.290 1.00 0.22 N ATOM 492 CA ALA A 31 -2.899 1.638 43.178 1.00 0.23 C ATOM 493 C ALA A 31 -3.796 2.719 42.570 1.00 0.20 C ATOM 494 O ALA A 31 -3.419 3.401 41.639 1.00 0.18 O ATOM 495 CB ALA A 31 -2.297 2.130 44.493 1.00 0.23 C ATOM 0 H ALA A 31 -1.350 2.216 41.834 1.00 0.22 H new ATOM 0 HA ALA A 31 -3.513 0.748 43.315 1.00 0.23 H new ATOM 0 HB1 ALA A 31 -3.097 2.339 45.204 1.00 0.23 H new ATOM 0 HB2 ALA A 31 -1.639 1.363 44.902 1.00 0.23 H new ATOM 0 HB3 ALA A 31 -1.725 3.040 44.313 1.00 0.23 H new ATOM 501 N GLU A 32 -4.984 2.875 43.081 1.00 0.22 N ATOM 502 CA GLU A 32 -5.907 3.904 42.521 1.00 0.21 C ATOM 503 C GLU A 32 -5.227 5.278 42.488 1.00 0.19 C ATOM 504 O GLU A 32 -4.477 5.630 43.376 1.00 0.20 O ATOM 505 CB GLU A 32 -7.100 3.925 43.477 1.00 0.25 C ATOM 506 CG GLU A 32 -8.172 4.871 42.934 1.00 0.27 C ATOM 507 CD GLU A 32 -9.314 4.984 43.947 1.00 0.32 C ATOM 508 OE1 GLU A 32 -9.228 4.342 44.980 1.00 1.12 O ATOM 509 OE2 GLU A 32 -10.254 5.711 43.670 1.00 1.13 O ATOM 0 H GLU A 32 -5.357 2.336 43.862 1.00 0.22 H new ATOM 0 HA GLU A 32 -6.202 3.674 41.497 1.00 0.21 H new ATOM 0 HB2 GLU A 32 -7.509 2.921 43.588 1.00 0.25 H new ATOM 0 HB3 GLU A 32 -6.781 4.250 44.467 1.00 0.25 H new ATOM 0 HG2 GLU A 32 -7.742 5.854 42.744 1.00 0.27 H new ATOM 0 HG3 GLU A 32 -8.552 4.500 41.982 1.00 0.27 H new ATOM 516 N LYS A 33 -5.536 6.071 41.494 1.00 0.19 N ATOM 517 CA LYS A 33 -4.979 7.459 41.407 1.00 0.20 C ATOM 518 C LYS A 33 -3.504 7.436 40.987 1.00 0.18 C ATOM 519 O LYS A 33 -2.925 8.464 40.693 1.00 0.21 O ATOM 520 CB LYS A 33 -5.128 8.056 42.810 1.00 0.23 C ATOM 521 CG LYS A 33 -5.016 9.579 42.728 1.00 0.29 C ATOM 522 CD LYS A 33 -5.104 10.175 44.135 1.00 0.87 C ATOM 523 CE LYS A 33 -5.161 11.702 44.041 1.00 1.35 C ATOM 524 NZ LYS A 33 -4.850 12.183 45.416 1.00 1.88 N ATOM 0 H LYS A 33 -6.159 5.814 40.728 1.00 0.19 H new ATOM 0 HA LYS A 33 -5.506 8.050 40.658 1.00 0.20 H new ATOM 0 HB2 LYS A 33 -6.090 7.773 43.237 1.00 0.23 H new ATOM 0 HB3 LYS A 33 -4.357 7.659 43.470 1.00 0.23 H new ATOM 0 HG2 LYS A 33 -4.072 9.860 42.261 1.00 0.29 H new ATOM 0 HG3 LYS A 33 -5.813 9.979 42.102 1.00 0.29 H new ATOM 0 HD2 LYS A 33 -5.990 9.798 44.646 1.00 0.87 H new ATOM 0 HD3 LYS A 33 -4.241 9.869 44.726 1.00 0.87 H new ATOM 0 HE2 LYS A 33 -4.439 12.080 43.317 1.00 1.35 H new ATOM 0 HE3 LYS A 33 -6.145 12.041 43.717 1.00 1.35 H new ATOM 0 HZ1 LYS A 33 -4.870 13.223 45.433 1.00 1.88 H new ATOM 0 HZ2 LYS A 33 -5.558 11.812 46.082 1.00 1.88 H new ATOM 0 HZ3 LYS A 33 -3.905 11.850 45.695 1.00 1.88 H new ATOM 538 N ASP A 34 -2.919 6.277 40.852 1.00 0.16 N ATOM 539 CA ASP A 34 -1.522 6.212 40.331 1.00 0.16 C ATOM 540 C ASP A 34 -1.520 6.416 38.816 1.00 0.19 C ATOM 541 O ASP A 34 -2.558 6.453 38.188 1.00 0.20 O ATOM 542 CB ASP A 34 -1.022 4.816 40.690 1.00 0.17 C ATOM 543 CG ASP A 34 -0.743 4.751 42.191 1.00 0.18 C ATOM 544 OD1 ASP A 34 -0.811 5.786 42.833 1.00 1.10 O ATOM 545 OD2 ASP A 34 -0.466 3.667 42.671 1.00 1.08 O ATOM 0 H ASP A 34 -3.344 5.378 41.078 1.00 0.16 H new ATOM 0 HA ASP A 34 -0.885 6.987 40.758 1.00 0.16 H new ATOM 0 HB2 ASP A 34 -1.766 4.068 40.414 1.00 0.17 H new ATOM 0 HB3 ASP A 34 -0.116 4.586 40.130 1.00 0.17 H new ATOM 550 N ALA A 35 -0.370 6.621 38.234 1.00 0.22 N ATOM 551 CA ALA A 35 -0.321 6.908 36.772 1.00 0.28 C ATOM 552 C ALA A 35 0.194 5.692 35.996 1.00 0.20 C ATOM 553 O ALA A 35 1.250 5.162 36.280 1.00 0.16 O ATOM 554 CB ALA A 35 0.647 8.083 36.635 1.00 0.36 C ATOM 0 H ALA A 35 0.534 6.602 38.705 1.00 0.22 H new ATOM 0 HA ALA A 35 -1.307 7.137 36.367 1.00 0.28 H new ATOM 0 HB1 ALA A 35 0.740 8.358 35.584 1.00 0.36 H new ATOM 0 HB2 ALA A 35 0.268 8.934 37.201 1.00 0.36 H new ATOM 0 HB3 ALA A 35 1.625 7.796 37.022 1.00 0.36 H new ATOM 560 N LEU A 36 -0.495 5.318 34.952 1.00 0.24 N ATOM 561 CA LEU A 36 0.000 4.219 34.071 1.00 0.21 C ATOM 562 C LEU A 36 0.484 4.812 32.749 1.00 0.20 C ATOM 563 O LEU A 36 -0.157 5.681 32.194 1.00 0.23 O ATOM 564 CB LEU A 36 -1.217 3.330 33.817 1.00 0.34 C ATOM 565 CG LEU A 36 -1.932 3.022 35.131 1.00 0.45 C ATOM 566 CD1 LEU A 36 -3.376 2.620 34.827 1.00 0.55 C ATOM 567 CD2 LEU A 36 -1.222 1.867 35.841 1.00 0.56 C ATOM 0 H LEU A 36 -1.385 5.728 34.669 1.00 0.24 H new ATOM 0 HA LEU A 36 0.825 3.667 34.520 1.00 0.21 H new ATOM 0 HB2 LEU A 36 -1.902 3.827 33.130 1.00 0.34 H new ATOM 0 HB3 LEU A 36 -0.904 2.402 33.339 1.00 0.34 H new ATOM 0 HG LEU A 36 -1.919 3.903 35.773 1.00 0.45 H new ATOM 0 HD11 LEU A 36 -3.896 2.398 35.759 1.00 0.55 H new ATOM 0 HD12 LEU A 36 -3.882 3.439 34.316 1.00 0.55 H new ATOM 0 HD13 LEU A 36 -3.381 1.736 34.189 1.00 0.55 H new ATOM 0 HD21 LEU A 36 -1.733 1.647 36.779 1.00 0.56 H new ATOM 0 HD22 LEU A 36 -1.238 0.983 35.203 1.00 0.56 H new ATOM 0 HD23 LEU A 36 -0.189 2.147 36.047 1.00 0.56 H new ATOM 579 N GLU A 37 1.519 4.274 32.167 1.00 0.19 N ATOM 580 CA GLU A 37 1.914 4.745 30.810 1.00 0.21 C ATOM 581 C GLU A 37 1.586 3.666 29.775 1.00 0.19 C ATOM 582 O GLU A 37 1.684 2.485 30.044 1.00 0.20 O ATOM 583 CB GLU A 37 3.420 4.999 30.888 1.00 0.25 C ATOM 584 CG GLU A 37 3.891 5.672 29.597 1.00 0.26 C ATOM 585 CD GLU A 37 5.405 5.890 29.658 1.00 0.37 C ATOM 586 OE1 GLU A 37 6.003 5.488 30.642 1.00 1.17 O ATOM 587 OE2 GLU A 37 5.940 6.455 28.719 1.00 1.08 O ATOM 0 H GLU A 37 2.102 3.538 32.565 1.00 0.19 H new ATOM 0 HA GLU A 37 1.381 5.647 30.509 1.00 0.21 H new ATOM 0 HB2 GLU A 37 3.649 5.632 31.745 1.00 0.25 H new ATOM 0 HB3 GLU A 37 3.951 4.059 31.035 1.00 0.25 H new ATOM 0 HG2 GLU A 37 3.636 5.052 28.737 1.00 0.26 H new ATOM 0 HG3 GLU A 37 3.381 6.626 29.464 1.00 0.26 H new ATOM 594 N ILE A 38 1.061 4.066 28.652 1.00 0.21 N ATOM 595 CA ILE A 38 0.559 3.072 27.663 1.00 0.20 C ATOM 596 C ILE A 38 1.481 3.014 26.444 1.00 0.20 C ATOM 597 O ILE A 38 1.889 4.029 25.907 1.00 0.24 O ATOM 598 CB ILE A 38 -0.826 3.579 27.260 1.00 0.26 C ATOM 599 CG1 ILE A 38 -1.701 3.716 28.508 1.00 0.80 C ATOM 600 CG2 ILE A 38 -1.474 2.586 26.292 1.00 0.73 C ATOM 601 CD1 ILE A 38 -3.043 4.343 28.126 1.00 0.84 C ATOM 0 H ILE A 38 0.957 5.042 28.375 1.00 0.21 H new ATOM 0 HA ILE A 38 0.523 2.065 28.078 1.00 0.20 H new ATOM 0 HB ILE A 38 -0.729 4.549 26.773 1.00 0.26 H new ATOM 0 HG12 ILE A 38 -1.861 2.738 28.962 1.00 0.80 H new ATOM 0 HG13 ILE A 38 -1.198 4.334 29.252 1.00 0.80 H new ATOM 0 HG21 ILE A 38 -2.461 2.949 26.006 1.00 0.73 H new ATOM 0 HG22 ILE A 38 -0.852 2.486 25.403 1.00 0.73 H new ATOM 0 HG23 ILE A 38 -1.571 1.615 26.778 1.00 0.73 H new ATOM 0 HD11 ILE A 38 -3.666 4.440 29.015 1.00 0.84 H new ATOM 0 HD12 ILE A 38 -2.874 5.328 27.692 1.00 0.84 H new ATOM 0 HD13 ILE A 38 -3.547 3.708 27.398 1.00 0.84 H new ATOM 613 N TYR A 39 1.820 1.825 26.032 1.00 0.19 N ATOM 614 CA TYR A 39 2.738 1.638 24.874 1.00 0.21 C ATOM 615 C TYR A 39 2.027 0.861 23.762 1.00 0.20 C ATOM 616 O TYR A 39 1.126 0.089 24.018 1.00 0.20 O ATOM 617 CB TYR A 39 3.883 0.799 25.433 1.00 0.24 C ATOM 618 CG TYR A 39 4.857 1.666 26.179 1.00 0.28 C ATOM 619 CD1 TYR A 39 4.441 2.384 27.305 1.00 0.32 C ATOM 620 CD2 TYR A 39 6.183 1.732 25.755 1.00 0.31 C ATOM 621 CE1 TYR A 39 5.357 3.173 28.008 1.00 0.37 C ATOM 622 CE2 TYR A 39 7.102 2.521 26.454 1.00 0.36 C ATOM 623 CZ TYR A 39 6.691 3.242 27.582 1.00 0.39 C ATOM 624 OH TYR A 39 7.597 4.021 28.273 1.00 0.45 O ATOM 0 H TYR A 39 1.493 0.958 26.458 1.00 0.19 H new ATOM 0 HA TYR A 39 3.073 2.584 24.450 1.00 0.21 H new ATOM 0 HB2 TYR A 39 3.488 0.031 26.098 1.00 0.24 H new ATOM 0 HB3 TYR A 39 4.395 0.284 24.620 1.00 0.24 H new ATOM 0 HD1 TYR A 39 3.413 2.329 27.631 1.00 0.32 H new ATOM 0 HD2 TYR A 39 6.501 1.174 24.887 1.00 0.31 H new ATOM 0 HE1 TYR A 39 5.037 3.728 28.877 1.00 0.37 H new ATOM 0 HE2 TYR A 39 8.129 2.574 26.124 1.00 0.36 H new ATOM 0 HH TYR A 39 8.477 3.956 27.846 1.00 0.45 H new ATOM 634 N VAL A 40 2.513 0.949 22.555 1.00 0.21 N ATOM 635 CA VAL A 40 1.949 0.089 21.471 1.00 0.22 C ATOM 636 C VAL A 40 3.074 -0.569 20.666 1.00 0.22 C ATOM 637 O VAL A 40 3.969 0.093 20.178 1.00 0.23 O ATOM 638 CB VAL A 40 1.138 1.037 20.590 1.00 0.25 C ATOM 639 CG1 VAL A 40 0.661 0.291 19.343 1.00 0.27 C ATOM 640 CG2 VAL A 40 -0.076 1.538 21.376 1.00 0.27 C ATOM 0 H VAL A 40 3.269 1.572 22.271 1.00 0.21 H new ATOM 0 HA VAL A 40 1.336 -0.720 21.869 1.00 0.22 H new ATOM 0 HB VAL A 40 1.759 1.882 20.292 1.00 0.25 H new ATOM 0 HG11 VAL A 40 0.082 0.967 18.714 1.00 0.27 H new ATOM 0 HG12 VAL A 40 1.523 -0.074 18.786 1.00 0.27 H new ATOM 0 HG13 VAL A 40 0.037 -0.552 19.640 1.00 0.27 H new ATOM 0 HG21 VAL A 40 -0.659 2.215 20.752 1.00 0.27 H new ATOM 0 HG22 VAL A 40 -0.695 0.690 21.668 1.00 0.27 H new ATOM 0 HG23 VAL A 40 0.261 2.066 22.268 1.00 0.27 H new ATOM 650 N ASP A 41 3.032 -1.866 20.520 1.00 0.21 N ATOM 651 CA ASP A 41 4.094 -2.564 19.741 1.00 0.22 C ATOM 652 C ASP A 41 3.519 -3.788 19.019 1.00 0.25 C ATOM 653 O ASP A 41 2.816 -4.586 19.600 1.00 0.27 O ATOM 654 CB ASP A 41 5.129 -2.992 20.782 1.00 0.20 C ATOM 655 CG ASP A 41 4.495 -3.984 21.758 1.00 1.01 C ATOM 656 OD1 ASP A 41 3.277 -4.036 21.812 1.00 1.69 O ATOM 657 OD2 ASP A 41 5.238 -4.674 22.436 1.00 1.77 O ATOM 0 H ASP A 41 2.308 -2.472 20.907 1.00 0.21 H new ATOM 0 HA ASP A 41 4.525 -1.923 18.972 1.00 0.22 H new ATOM 0 HB2 ASP A 41 5.987 -3.449 20.290 1.00 0.20 H new ATOM 0 HB3 ASP A 41 5.498 -2.120 21.322 1.00 0.20 H new ATOM 662 N ASP A 42 3.906 -4.001 17.792 1.00 0.27 N ATOM 663 CA ASP A 42 3.487 -5.241 17.073 1.00 0.33 C ATOM 664 C ASP A 42 1.999 -5.545 17.305 1.00 0.33 C ATOM 665 O ASP A 42 1.621 -6.676 17.532 1.00 0.37 O ATOM 666 CB ASP A 42 4.358 -6.342 17.671 1.00 0.38 C ATOM 667 CG ASP A 42 3.980 -7.689 17.051 1.00 0.45 C ATOM 668 OD1 ASP A 42 3.184 -7.690 16.125 1.00 1.22 O ATOM 669 OD2 ASP A 42 4.493 -8.697 17.510 1.00 1.14 O ATOM 0 H ASP A 42 4.497 -3.368 17.253 1.00 0.27 H new ATOM 0 HA ASP A 42 3.610 -5.147 15.994 1.00 0.33 H new ATOM 0 HB2 ASP A 42 5.411 -6.128 17.486 1.00 0.38 H new ATOM 0 HB3 ASP A 42 4.225 -6.378 18.752 1.00 0.38 H new ATOM 674 N GLU A 43 1.149 -4.563 17.164 1.00 0.30 N ATOM 675 CA GLU A 43 -0.320 -4.818 17.275 1.00 0.31 C ATOM 676 C GLU A 43 -0.670 -5.359 18.664 1.00 0.30 C ATOM 677 O GLU A 43 -1.787 -5.760 18.923 1.00 0.31 O ATOM 678 CB GLU A 43 -0.627 -5.861 16.198 1.00 0.35 C ATOM 679 CG GLU A 43 -2.141 -6.050 16.082 1.00 1.17 C ATOM 680 CD GLU A 43 -2.442 -7.161 15.074 1.00 1.34 C ATOM 681 OE1 GLU A 43 -1.498 -7.734 14.555 1.00 1.93 O ATOM 682 OE2 GLU A 43 -3.611 -7.420 14.839 1.00 1.68 O ATOM 0 H GLU A 43 1.407 -3.594 16.977 1.00 0.30 H new ATOM 0 HA GLU A 43 -0.903 -3.907 17.139 1.00 0.31 H new ATOM 0 HB2 GLU A 43 -0.216 -5.541 15.240 1.00 0.35 H new ATOM 0 HB3 GLU A 43 -0.150 -6.809 16.449 1.00 0.35 H new ATOM 0 HG2 GLU A 43 -2.562 -6.304 17.055 1.00 1.17 H new ATOM 0 HG3 GLU A 43 -2.611 -5.119 15.764 1.00 1.17 H new ATOM 689 N LYS A 44 0.251 -5.294 19.581 1.00 0.29 N ATOM 690 CA LYS A 44 -0.052 -5.715 20.978 1.00 0.30 C ATOM 691 C LYS A 44 -0.005 -4.499 21.905 1.00 0.27 C ATOM 692 O LYS A 44 0.690 -3.538 21.645 1.00 0.26 O ATOM 693 CB LYS A 44 1.049 -6.711 21.345 1.00 0.34 C ATOM 694 CG LYS A 44 0.990 -7.912 20.399 1.00 1.29 C ATOM 695 CD LYS A 44 1.928 -9.009 20.906 1.00 1.23 C ATOM 696 CE LYS A 44 3.373 -8.511 20.852 1.00 1.90 C ATOM 697 NZ LYS A 44 4.194 -9.735 20.633 1.00 2.01 N ATOM 0 H LYS A 44 1.204 -4.967 19.425 1.00 0.29 H new ATOM 0 HA LYS A 44 -1.043 -6.158 21.073 1.00 0.30 H new ATOM 0 HB2 LYS A 44 2.025 -6.230 21.279 1.00 0.34 H new ATOM 0 HB3 LYS A 44 0.926 -7.041 22.376 1.00 0.34 H new ATOM 0 HG2 LYS A 44 -0.030 -8.291 20.339 1.00 1.29 H new ATOM 0 HG3 LYS A 44 1.278 -7.610 19.392 1.00 1.29 H new ATOM 0 HD2 LYS A 44 1.665 -9.284 21.928 1.00 1.23 H new ATOM 0 HD3 LYS A 44 1.818 -9.906 20.297 1.00 1.23 H new ATOM 0 HE2 LYS A 44 3.513 -7.792 20.045 1.00 1.90 H new ATOM 0 HE3 LYS A 44 3.652 -8.009 21.778 1.00 1.90 H new ATOM 0 HZ1 LYS A 44 5.200 -9.474 20.585 1.00 2.01 H new ATOM 0 HZ2 LYS A 44 4.046 -10.398 21.420 1.00 2.01 H new ATOM 0 HZ3 LYS A 44 3.911 -10.188 19.741 1.00 2.01 H new ATOM 711 N ILE A 45 -0.746 -4.525 22.976 1.00 0.28 N ATOM 712 CA ILE A 45 -0.748 -3.359 23.904 1.00 0.27 C ATOM 713 C ILE A 45 0.256 -3.589 25.034 1.00 0.27 C ATOM 714 O ILE A 45 0.252 -4.617 25.682 1.00 0.29 O ATOM 715 CB ILE A 45 -2.171 -3.301 24.453 1.00 0.30 C ATOM 716 CG1 ILE A 45 -3.160 -3.212 23.289 1.00 0.34 C ATOM 717 CG2 ILE A 45 -2.325 -2.069 25.348 1.00 0.29 C ATOM 718 CD1 ILE A 45 -4.580 -3.428 23.809 1.00 1.25 C ATOM 0 H ILE A 45 -1.349 -5.301 23.250 1.00 0.28 H new ATOM 0 HA ILE A 45 -0.463 -2.430 23.410 1.00 0.27 H new ATOM 0 HB ILE A 45 -2.373 -4.199 25.036 1.00 0.30 H new ATOM 0 HG12 ILE A 45 -3.083 -2.238 22.806 1.00 0.34 H new ATOM 0 HG13 ILE A 45 -2.919 -3.962 22.535 1.00 0.34 H new ATOM 0 HG21 ILE A 45 -3.341 -2.028 25.740 1.00 0.29 H new ATOM 0 HG22 ILE A 45 -1.619 -2.131 26.176 1.00 0.29 H new ATOM 0 HG23 ILE A 45 -2.124 -1.169 24.766 1.00 0.29 H new ATOM 0 HD11 ILE A 45 -5.285 -3.365 22.980 1.00 1.25 H new ATOM 0 HD12 ILE A 45 -4.652 -4.412 24.272 1.00 1.25 H new ATOM 0 HD13 ILE A 45 -4.818 -2.662 24.547 1.00 1.25 H new ATOM 730 N ILE A 46 1.108 -2.631 25.281 1.00 0.26 N ATOM 731 CA ILE A 46 2.111 -2.776 26.375 1.00 0.29 C ATOM 732 C ILE A 46 1.839 -1.743 27.473 1.00 0.29 C ATOM 733 O ILE A 46 1.841 -0.558 27.233 1.00 0.31 O ATOM 734 CB ILE A 46 3.462 -2.508 25.701 1.00 0.32 C ATOM 735 CG1 ILE A 46 3.677 -3.517 24.570 1.00 0.44 C ATOM 736 CG2 ILE A 46 4.593 -2.632 26.727 1.00 0.37 C ATOM 737 CD1 ILE A 46 3.406 -4.928 25.088 1.00 0.50 C ATOM 0 H ILE A 46 1.153 -1.750 24.769 1.00 0.26 H new ATOM 0 HA ILE A 46 2.079 -3.757 26.848 1.00 0.29 H new ATOM 0 HB ILE A 46 3.465 -1.498 25.292 1.00 0.32 H new ATOM 0 HG12 ILE A 46 3.013 -3.291 23.735 1.00 0.44 H new ATOM 0 HG13 ILE A 46 4.698 -3.446 24.194 1.00 0.44 H new ATOM 0 HG21 ILE A 46 5.549 -2.440 26.240 1.00 0.37 H new ATOM 0 HG22 ILE A 46 4.441 -1.906 27.526 1.00 0.37 H new ATOM 0 HG23 ILE A 46 4.595 -3.638 27.146 1.00 0.37 H new ATOM 0 HD11 ILE A 46 3.559 -5.647 24.283 1.00 0.50 H new ATOM 0 HD12 ILE A 46 4.088 -5.152 25.908 1.00 0.50 H new ATOM 0 HD13 ILE A 46 2.377 -4.994 25.443 1.00 0.50 H new ATOM 749 N LEU A 47 1.599 -2.184 28.678 1.00 0.28 N ATOM 750 CA LEU A 47 1.327 -1.213 29.779 1.00 0.29 C ATOM 751 C LEU A 47 2.391 -1.338 30.870 1.00 0.31 C ATOM 752 O LEU A 47 2.772 -2.424 31.258 1.00 0.39 O ATOM 753 CB LEU A 47 -0.043 -1.600 30.331 1.00 0.34 C ATOM 754 CG LEU A 47 -1.084 -1.543 29.210 1.00 0.90 C ATOM 755 CD1 LEU A 47 -0.974 -2.798 28.342 1.00 1.66 C ATOM 756 CD2 LEU A 47 -2.485 -1.467 29.819 1.00 1.24 C ATOM 0 H LEU A 47 1.579 -3.167 28.948 1.00 0.28 H new ATOM 0 HA LEU A 47 1.347 -0.182 29.426 1.00 0.29 H new ATOM 0 HB2 LEU A 47 -0.005 -2.603 30.755 1.00 0.34 H new ATOM 0 HB3 LEU A 47 -0.325 -0.924 31.138 1.00 0.34 H new ATOM 0 HG LEU A 47 -0.905 -0.661 28.595 1.00 0.90 H new ATOM 0 HD11 LEU A 47 -1.716 -2.755 27.545 1.00 1.66 H new ATOM 0 HD12 LEU A 47 0.024 -2.853 27.907 1.00 1.66 H new ATOM 0 HD13 LEU A 47 -1.151 -3.681 28.955 1.00 1.66 H new ATOM 0 HD21 LEU A 47 -3.227 -1.426 29.021 1.00 1.24 H new ATOM 0 HD22 LEU A 47 -2.662 -2.349 30.435 1.00 1.24 H new ATOM 0 HD23 LEU A 47 -2.566 -0.572 30.435 1.00 1.24 H new ATOM 768 N LYS A 48 2.881 -0.234 31.358 1.00 0.29 N ATOM 769 CA LYS A 48 3.933 -0.288 32.417 1.00 0.35 C ATOM 770 C LYS A 48 3.722 0.836 33.434 1.00 0.28 C ATOM 771 O LYS A 48 3.125 1.849 33.133 1.00 0.25 O ATOM 772 CB LYS A 48 5.254 -0.094 31.671 1.00 0.47 C ATOM 773 CG LYS A 48 5.236 1.245 30.930 1.00 0.65 C ATOM 774 CD LYS A 48 6.560 1.431 30.184 1.00 0.85 C ATOM 775 CE LYS A 48 6.614 0.473 28.992 1.00 1.54 C ATOM 776 NZ LYS A 48 8.038 0.047 28.906 1.00 1.74 N ATOM 0 H LYS A 48 2.601 0.704 31.072 1.00 0.29 H new ATOM 0 HA LYS A 48 3.910 -1.225 32.973 1.00 0.35 H new ATOM 0 HB2 LYS A 48 6.087 -0.121 32.374 1.00 0.47 H new ATOM 0 HB3 LYS A 48 5.407 -0.910 30.964 1.00 0.47 H new ATOM 0 HG2 LYS A 48 4.403 1.273 30.228 1.00 0.65 H new ATOM 0 HG3 LYS A 48 5.086 2.062 31.636 1.00 0.65 H new ATOM 0 HD2 LYS A 48 6.654 2.461 29.841 1.00 0.85 H new ATOM 0 HD3 LYS A 48 7.398 1.241 30.855 1.00 0.85 H new ATOM 0 HE2 LYS A 48 5.954 -0.382 29.142 1.00 1.54 H new ATOM 0 HE3 LYS A 48 6.293 0.966 28.074 1.00 1.54 H new ATOM 0 HZ1 LYS A 48 8.156 -0.613 28.111 1.00 1.74 H new ATOM 0 HZ2 LYS A 48 8.641 0.881 28.756 1.00 1.74 H new ATOM 0 HZ3 LYS A 48 8.313 -0.425 29.791 1.00 1.74 H new ATOM 790 N LYS A 49 4.250 0.690 34.618 1.00 0.28 N ATOM 791 CA LYS A 49 4.124 1.785 35.621 1.00 0.25 C ATOM 792 C LYS A 49 4.726 3.073 35.064 1.00 0.22 C ATOM 793 O LYS A 49 5.633 3.048 34.257 1.00 0.24 O ATOM 794 CB LYS A 49 4.913 1.309 36.840 1.00 0.29 C ATOM 795 CG LYS A 49 4.765 2.326 37.973 1.00 0.30 C ATOM 796 CD LYS A 49 5.605 1.880 39.172 1.00 0.54 C ATOM 797 CE LYS A 49 5.326 2.802 40.361 1.00 1.08 C ATOM 798 NZ LYS A 49 6.670 3.254 40.820 1.00 1.65 N ATOM 0 H LYS A 49 4.760 -0.135 34.933 1.00 0.28 H new ATOM 0 HA LYS A 49 3.085 1.997 35.872 1.00 0.25 H new ATOM 0 HB2 LYS A 49 4.550 0.333 37.163 1.00 0.29 H new ATOM 0 HB3 LYS A 49 5.965 1.188 36.581 1.00 0.29 H new ATOM 0 HG2 LYS A 49 5.087 3.311 37.636 1.00 0.30 H new ATOM 0 HG3 LYS A 49 3.718 2.415 38.262 1.00 0.30 H new ATOM 0 HD2 LYS A 49 5.366 0.849 39.434 1.00 0.54 H new ATOM 0 HD3 LYS A 49 6.665 1.907 38.918 1.00 0.54 H new ATOM 0 HE2 LYS A 49 4.704 3.648 40.068 1.00 1.08 H new ATOM 0 HE3 LYS A 49 4.795 2.275 41.153 1.00 1.08 H new ATOM 0 HZ1 LYS A 49 6.562 3.891 41.635 1.00 1.65 H new ATOM 0 HZ2 LYS A 49 7.237 2.428 41.099 1.00 1.65 H new ATOM 0 HZ3 LYS A 49 7.149 3.758 40.047 1.00 1.65 H new ATOM 812 N TYR A 50 4.170 4.192 35.421 1.00 0.20 N ATOM 813 CA TYR A 50 4.649 5.476 34.833 1.00 0.21 C ATOM 814 C TYR A 50 5.525 6.235 35.831 1.00 0.22 C ATOM 815 O TYR A 50 5.055 6.718 36.843 1.00 0.22 O ATOM 816 CB TYR A 50 3.378 6.267 34.534 1.00 0.20 C ATOM 817 CG TYR A 50 3.745 7.609 33.949 1.00 0.23 C ATOM 818 CD1 TYR A 50 4.760 7.703 32.992 1.00 0.26 C ATOM 819 CD2 TYR A 50 3.075 8.763 34.372 1.00 0.24 C ATOM 820 CE1 TYR A 50 5.104 8.949 32.456 1.00 0.30 C ATOM 821 CE2 TYR A 50 3.417 10.008 33.837 1.00 0.28 C ATOM 822 CZ TYR A 50 4.432 10.103 32.878 1.00 0.30 C ATOM 823 OH TYR A 50 4.770 11.331 32.349 1.00 0.35 O ATOM 0 H TYR A 50 3.407 4.277 36.092 1.00 0.20 H new ATOM 0 HA TYR A 50 5.257 5.316 33.943 1.00 0.21 H new ATOM 0 HB2 TYR A 50 2.749 5.714 33.836 1.00 0.20 H new ATOM 0 HB3 TYR A 50 2.798 6.403 35.447 1.00 0.20 H new ATOM 0 HD1 TYR A 50 5.279 6.814 32.666 1.00 0.26 H new ATOM 0 HD2 TYR A 50 2.293 8.691 35.113 1.00 0.24 H new ATOM 0 HE1 TYR A 50 5.888 9.021 31.717 1.00 0.30 H new ATOM 0 HE2 TYR A 50 2.898 10.897 34.164 1.00 0.28 H new ATOM 0 HH TYR A 50 4.206 12.026 32.749 1.00 0.35 H new ATOM 833 N LYS A 51 6.754 6.484 35.471 1.00 0.25 N ATOM 834 CA LYS A 51 7.604 7.380 36.302 1.00 0.29 C ATOM 835 C LYS A 51 7.630 8.779 35.679 1.00 0.32 C ATOM 836 O LYS A 51 7.988 8.934 34.528 1.00 0.35 O ATOM 837 CB LYS A 51 8.997 6.750 36.271 1.00 0.33 C ATOM 838 CG LYS A 51 9.398 6.327 37.686 1.00 1.43 C ATOM 839 CD LYS A 51 10.895 6.015 37.721 1.00 1.91 C ATOM 840 CE LYS A 51 11.152 4.658 37.061 1.00 2.76 C ATOM 841 NZ LYS A 51 12.273 4.059 37.836 1.00 3.21 N ATOM 0 H LYS A 51 7.205 6.106 34.638 1.00 0.25 H new ATOM 0 HA LYS A 51 7.234 7.484 37.322 1.00 0.29 H new ATOM 0 HB2 LYS A 51 9.002 5.886 35.607 1.00 0.33 H new ATOM 0 HB3 LYS A 51 9.721 7.462 35.874 1.00 0.33 H new ATOM 0 HG2 LYS A 51 9.165 7.122 38.394 1.00 1.43 H new ATOM 0 HG3 LYS A 51 8.826 5.451 37.991 1.00 1.43 H new ATOM 0 HD2 LYS A 51 11.452 6.795 37.201 1.00 1.91 H new ATOM 0 HD3 LYS A 51 11.250 6.003 38.751 1.00 1.91 H new ATOM 0 HE2 LYS A 51 10.264 4.026 37.099 1.00 2.76 H new ATOM 0 HE3 LYS A 51 11.416 4.774 36.010 1.00 2.76 H new ATOM 0 HZ1 LYS A 51 12.507 3.125 37.442 1.00 3.21 H new ATOM 0 HZ2 LYS A 51 13.106 4.679 37.777 1.00 3.21 H new ATOM 0 HZ3 LYS A 51 11.990 3.954 38.831 1.00 3.21 H new ATOM 855 N PRO A 52 7.226 9.750 36.450 1.00 0.33 N ATOM 856 CA PRO A 52 7.180 11.143 35.945 1.00 0.39 C ATOM 857 C PRO A 52 8.595 11.646 35.644 1.00 0.46 C ATOM 858 O PRO A 52 9.547 11.287 36.308 1.00 0.48 O ATOM 859 CB PRO A 52 6.554 11.935 37.093 1.00 0.41 C ATOM 860 CG PRO A 52 6.707 11.074 38.308 1.00 0.40 C ATOM 861 CD PRO A 52 6.781 9.645 37.842 1.00 0.33 C ATOM 0 HA PRO A 52 6.615 11.240 35.018 1.00 0.39 H new ATOM 0 HB2 PRO A 52 7.055 12.894 37.227 1.00 0.41 H new ATOM 0 HB3 PRO A 52 5.504 12.149 36.894 1.00 0.41 H new ATOM 0 HG2 PRO A 52 7.608 11.345 38.859 1.00 0.40 H new ATOM 0 HG3 PRO A 52 5.865 11.213 38.986 1.00 0.40 H new ATOM 0 HD2 PRO A 52 7.482 9.065 38.443 1.00 0.33 H new ATOM 0 HD3 PRO A 52 5.813 9.150 37.915 1.00 0.33 H new ATOM 869 N ASN A 53 8.738 12.483 34.653 1.00 0.61 N ATOM 870 CA ASN A 53 10.090 13.015 34.316 1.00 0.71 C ATOM 871 C ASN A 53 10.007 14.510 34.000 1.00 1.19 C ATOM 872 O ASN A 53 8.919 15.056 34.091 1.00 1.61 O ATOM 873 CB ASN A 53 10.529 12.227 33.080 1.00 1.36 C ATOM 874 CG ASN A 53 9.751 12.716 31.857 1.00 1.76 C ATOM 875 OD1 ASN A 53 8.759 13.405 31.989 1.00 2.14 O ATOM 876 ND2 ASN A 53 10.162 12.387 30.663 1.00 2.41 N ATOM 877 OXT ASN A 53 11.032 15.085 33.674 1.00 1.98 O ATOM 0 H ASN A 53 7.978 12.821 34.062 1.00 0.61 H new ATOM 0 HA ASN A 53 10.795 12.905 35.140 1.00 0.71 H new ATOM 0 HB2 ASN A 53 11.599 12.353 32.917 1.00 1.36 H new ATOM 0 HB3 ASN A 53 10.353 11.162 33.234 1.00 1.36 H new ATOM 0 HD21 ASN A 53 9.651 12.708 29.841 1.00 2.41 H new ATOM 0 HD22 ASN A 53 10.995 11.809 30.552 1.00 2.41 H new TER 884 ASN A 53 ATOM 885 N PHE B 2 2.217 12.449 12.227 1.00 9.08 N ATOM 886 CA PHE B 2 1.264 11.304 12.294 1.00 8.67 C ATOM 887 C PHE B 2 0.629 11.225 13.685 1.00 7.72 C ATOM 888 O PHE B 2 1.152 11.751 14.647 1.00 7.64 O ATOM 889 CB PHE B 2 2.117 10.064 12.023 1.00 9.22 C ATOM 890 CG PHE B 2 3.137 9.906 13.125 1.00 10.46 C ATOM 891 CD1 PHE B 2 4.354 10.594 13.055 1.00 10.89 C ATOM 892 CD2 PHE B 2 2.866 9.073 14.217 1.00 10.87 C ATOM 893 CE1 PHE B 2 5.301 10.449 14.076 1.00 11.66 C ATOM 894 CE2 PHE B 2 3.814 8.926 15.237 1.00 11.64 C ATOM 895 CZ PHE B 2 5.030 9.614 15.167 1.00 11.60 C ATOM 0 HA PHE B 2 0.448 11.403 11.578 1.00 8.67 H new ATOM 0 HB2 PHE B 2 1.484 9.178 11.969 1.00 9.22 H new ATOM 0 HB3 PHE B 2 2.618 10.157 11.059 1.00 9.22 H new ATOM 0 HD1 PHE B 2 4.563 11.237 12.213 1.00 10.89 H new ATOM 0 HD2 PHE B 2 1.926 8.544 14.273 1.00 10.87 H new ATOM 0 HE1 PHE B 2 6.240 10.981 14.022 1.00 11.66 H new ATOM 0 HE2 PHE B 2 3.606 8.281 16.078 1.00 11.64 H new ATOM 0 HZ PHE B 2 5.760 9.501 15.955 1.00 11.60 H new ATOM 905 N MET B 3 -0.486 10.556 13.803 1.00 7.25 N ATOM 906 CA MET B 3 -1.140 10.428 15.137 1.00 6.59 C ATOM 907 C MET B 3 -1.055 8.980 15.630 1.00 5.73 C ATOM 908 O MET B 3 -1.918 8.170 15.359 1.00 5.45 O ATOM 909 CB MET B 3 -2.596 10.832 14.906 1.00 6.98 C ATOM 910 CG MET B 3 -3.314 10.945 16.252 1.00 7.76 C ATOM 911 SD MET B 3 -5.079 11.235 15.970 1.00 8.62 S ATOM 912 CE MET B 3 -4.918 12.836 15.146 1.00 8.70 C ATOM 0 H MET B 3 -0.972 10.093 13.035 1.00 7.25 H new ATOM 0 HA MET B 3 -0.661 11.050 15.893 1.00 6.59 H new ATOM 0 HB2 MET B 3 -2.641 11.784 14.377 1.00 6.98 H new ATOM 0 HB3 MET B 3 -3.094 10.094 14.277 1.00 6.98 H new ATOM 0 HG2 MET B 3 -3.172 10.032 16.830 1.00 7.76 H new ATOM 0 HG3 MET B 3 -2.889 11.761 16.836 1.00 7.76 H new ATOM 0 HE1 MET B 3 -5.868 13.368 15.195 1.00 8.70 H new ATOM 0 HE2 MET B 3 -4.146 13.425 15.642 1.00 8.70 H new ATOM 0 HE3 MET B 3 -4.642 12.682 14.103 1.00 8.70 H new ATOM 922 N LYS B 4 -0.025 8.655 16.363 1.00 5.69 N ATOM 923 CA LYS B 4 0.112 7.265 16.885 1.00 5.34 C ATOM 924 C LYS B 4 0.526 7.296 18.359 1.00 4.61 C ATOM 925 O LYS B 4 1.244 8.176 18.791 1.00 4.72 O ATOM 926 CB LYS B 4 1.208 6.626 16.031 1.00 6.20 C ATOM 927 CG LYS B 4 1.289 5.130 16.342 1.00 6.74 C ATOM 928 CD LYS B 4 2.426 4.501 15.534 1.00 7.81 C ATOM 929 CE LYS B 4 2.396 2.980 15.711 1.00 8.51 C ATOM 930 NZ LYS B 4 3.772 2.618 16.150 1.00 9.17 N ATOM 0 H LYS B 4 0.728 9.292 16.623 1.00 5.69 H new ATOM 0 HA LYS B 4 -0.823 6.707 16.829 1.00 5.34 H new ATOM 0 HB2 LYS B 4 0.994 6.777 14.973 1.00 6.20 H new ATOM 0 HB3 LYS B 4 2.167 7.103 16.234 1.00 6.20 H new ATOM 0 HG2 LYS B 4 1.459 4.978 17.408 1.00 6.74 H new ATOM 0 HG3 LYS B 4 0.344 4.645 16.098 1.00 6.74 H new ATOM 0 HD2 LYS B 4 2.323 4.757 14.480 1.00 7.81 H new ATOM 0 HD3 LYS B 4 3.385 4.898 15.866 1.00 7.81 H new ATOM 0 HE2 LYS B 4 1.654 2.683 16.452 1.00 8.51 H new ATOM 0 HE3 LYS B 4 2.134 2.479 14.779 1.00 8.51 H new ATOM 0 HZ1 LYS B 4 3.832 1.590 16.293 1.00 9.17 H new ATOM 0 HZ2 LYS B 4 4.456 2.907 15.422 1.00 9.17 H new ATOM 0 HZ3 LYS B 4 3.991 3.105 17.043 1.00 9.17 H new ATOM 944 N SER B 5 0.067 6.355 19.137 1.00 4.27 N ATOM 945 CA SER B 5 0.424 6.353 20.586 1.00 3.86 C ATOM 946 C SER B 5 1.943 6.280 20.752 1.00 2.80 C ATOM 947 O SER B 5 2.649 5.823 19.875 1.00 3.02 O ATOM 948 CB SER B 5 -0.237 5.099 21.153 1.00 4.70 C ATOM 949 OG SER B 5 0.486 3.955 20.724 1.00 5.20 O ATOM 0 H SER B 5 -0.537 5.590 18.835 1.00 4.27 H new ATOM 0 HA SER B 5 0.090 7.256 21.097 1.00 3.86 H new ATOM 0 HB2 SER B 5 -0.256 5.144 22.242 1.00 4.70 H new ATOM 0 HB3 SER B 5 -1.272 5.036 20.818 1.00 4.70 H new ATOM 0 HG SER B 5 0.262 3.757 19.791 1.00 5.20 H new ATOM 955 N THR B 6 2.453 6.782 21.843 1.00 2.20 N ATOM 956 CA THR B 6 3.932 6.811 22.040 1.00 1.59 C ATOM 957 C THR B 6 4.263 7.232 23.475 1.00 1.19 C ATOM 958 O THR B 6 4.853 8.269 23.704 1.00 1.95 O ATOM 959 CB THR B 6 4.446 7.861 21.051 1.00 2.29 C ATOM 960 OG1 THR B 6 3.444 8.846 20.846 1.00 2.98 O ATOM 961 CG2 THR B 6 4.792 7.194 19.719 1.00 2.91 C ATOM 0 H THR B 6 1.908 7.175 22.610 1.00 2.20 H new ATOM 0 HA THR B 6 4.388 5.835 21.875 1.00 1.59 H new ATOM 0 HB THR B 6 5.342 8.331 21.457 1.00 2.29 H new ATOM 0 HG1 THR B 6 3.772 9.520 20.214 1.00 2.98 H new ATOM 0 HG21 THR B 6 5.157 7.946 19.020 1.00 2.91 H new ATOM 0 HG22 THR B 6 5.564 6.442 19.879 1.00 2.91 H new ATOM 0 HG23 THR B 6 3.901 6.718 19.308 1.00 2.91 H new ATOM 969 N GLY B 7 3.890 6.441 24.444 1.00 0.83 N ATOM 970 CA GLY B 7 4.190 6.810 25.860 1.00 0.45 C ATOM 971 C GLY B 7 3.120 7.770 26.385 1.00 0.43 C ATOM 972 O GLY B 7 3.423 8.804 26.947 1.00 0.49 O ATOM 0 H GLY B 7 3.393 5.559 24.319 1.00 0.83 H new ATOM 0 HA2 GLY B 7 4.223 5.914 26.480 1.00 0.45 H new ATOM 0 HA3 GLY B 7 5.173 7.277 25.923 1.00 0.45 H new ATOM 976 N ILE B 8 1.868 7.426 26.238 1.00 0.37 N ATOM 977 CA ILE B 8 0.785 8.315 26.761 1.00 0.37 C ATOM 978 C ILE B 8 0.210 7.725 28.048 1.00 0.32 C ATOM 979 O ILE B 8 0.113 6.529 28.191 1.00 0.30 O ATOM 980 CB ILE B 8 -0.278 8.343 25.665 1.00 0.40 C ATOM 981 CG1 ILE B 8 0.362 8.779 24.344 1.00 0.45 C ATOM 982 CG2 ILE B 8 -1.379 9.336 26.047 1.00 0.43 C ATOM 983 CD1 ILE B 8 -0.674 8.686 23.221 1.00 1.36 C ATOM 0 H ILE B 8 1.548 6.572 25.781 1.00 0.37 H new ATOM 0 HA ILE B 8 1.147 9.316 26.995 1.00 0.37 H new ATOM 0 HB ILE B 8 -0.708 7.348 25.551 1.00 0.40 H new ATOM 0 HG12 ILE B 8 0.734 9.800 24.427 1.00 0.45 H new ATOM 0 HG13 ILE B 8 1.219 8.145 24.116 1.00 0.45 H new ATOM 0 HG21 ILE B 8 -2.138 9.356 25.265 1.00 0.43 H new ATOM 0 HG22 ILE B 8 -1.836 9.029 26.988 1.00 0.43 H new ATOM 0 HG23 ILE B 8 -0.948 10.331 26.161 1.00 0.43 H new ATOM 0 HD11 ILE B 8 -0.220 8.996 22.280 1.00 1.36 H new ATOM 0 HD12 ILE B 8 -1.024 7.657 23.133 1.00 1.36 H new ATOM 0 HD13 ILE B 8 -1.517 9.338 23.449 1.00 1.36 H new ATOM 995 N VAL B 9 -0.003 8.535 29.047 1.00 0.32 N ATOM 996 CA VAL B 9 -0.367 7.973 30.381 1.00 0.29 C ATOM 997 C VAL B 9 -1.819 8.297 30.746 1.00 0.32 C ATOM 998 O VAL B 9 -2.308 9.383 30.510 1.00 0.37 O ATOM 999 CB VAL B 9 0.595 8.636 31.366 1.00 0.30 C ATOM 1000 CG1 VAL B 9 0.297 8.140 32.782 1.00 0.27 C ATOM 1001 CG2 VAL B 9 2.035 8.271 30.993 1.00 0.30 C ATOM 0 H VAL B 9 0.058 9.552 29.001 1.00 0.32 H new ATOM 0 HA VAL B 9 -0.288 6.886 30.393 1.00 0.29 H new ATOM 0 HB VAL B 9 0.469 9.718 31.325 1.00 0.30 H new ATOM 0 HG11 VAL B 9 0.983 8.613 33.485 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -0.729 8.395 33.049 1.00 0.27 H new ATOM 0 HG13 VAL B 9 0.424 7.058 32.823 1.00 0.27 H new ATOM 0 HG21 VAL B 9 2.723 8.743 31.694 1.00 0.30 H new ATOM 0 HG22 VAL B 9 2.159 7.189 31.036 1.00 0.30 H new ATOM 0 HG23 VAL B 9 2.249 8.621 29.983 1.00 0.30 H new ATOM 1011 N ARG B 10 -2.479 7.378 31.399 1.00 0.31 N ATOM 1012 CA ARG B 10 -3.866 7.636 31.884 1.00 0.36 C ATOM 1013 C ARG B 10 -3.944 7.359 33.389 1.00 0.31 C ATOM 1014 O ARG B 10 -3.065 6.746 33.957 1.00 0.28 O ATOM 1015 CB ARG B 10 -4.749 6.657 31.108 1.00 0.40 C ATOM 1016 CG ARG B 10 -6.216 6.896 31.468 1.00 0.74 C ATOM 1017 CD ARG B 10 -6.687 8.213 30.846 1.00 0.87 C ATOM 1018 NE ARG B 10 -8.090 8.380 31.319 1.00 1.14 N ATOM 1019 CZ ARG B 10 -8.653 9.558 31.296 1.00 1.37 C ATOM 1020 NH1 ARG B 10 -7.992 10.596 30.860 1.00 1.62 N ATOM 1021 NH2 ARG B 10 -9.882 9.699 31.713 1.00 1.92 N ATOM 0 H ARG B 10 -2.113 6.452 31.619 1.00 0.31 H new ATOM 0 HA ARG B 10 -4.179 8.668 31.728 1.00 0.36 H new ATOM 0 HB2 ARG B 10 -4.601 6.788 30.036 1.00 0.40 H new ATOM 0 HB3 ARG B 10 -4.468 5.631 31.345 1.00 0.40 H new ATOM 0 HG2 ARG B 10 -6.829 6.071 31.106 1.00 0.74 H new ATOM 0 HG3 ARG B 10 -6.335 6.930 32.551 1.00 0.74 H new ATOM 0 HD2 ARG B 10 -6.061 9.046 31.164 1.00 0.87 H new ATOM 0 HD3 ARG B 10 -6.639 8.176 29.758 1.00 0.87 H new ATOM 0 HE ARG B 10 -8.611 7.573 31.661 1.00 1.14 H new ATOM 0 HH11 ARG B 10 -7.031 10.489 30.535 1.00 1.62 H new ATOM 0 HH12 ARG B 10 -8.437 11.514 30.844 1.00 1.62 H new ATOM 0 HH21 ARG B 10 -10.400 8.890 32.056 1.00 1.92 H new ATOM 0 HH22 ARG B 10 -10.324 10.618 31.696 1.00 1.92 H new ATOM 1035 N LYS B 11 -4.960 7.843 34.047 1.00 0.33 N ATOM 1036 CA LYS B 11 -5.050 7.641 35.524 1.00 0.30 C ATOM 1037 C LYS B 11 -5.691 6.285 35.842 1.00 0.26 C ATOM 1038 O LYS B 11 -6.555 5.813 35.131 1.00 0.28 O ATOM 1039 CB LYS B 11 -5.936 8.782 36.025 1.00 0.34 C ATOM 1040 CG LYS B 11 -5.241 10.120 35.765 1.00 1.03 C ATOM 1041 CD LYS B 11 -6.072 11.253 36.371 1.00 1.03 C ATOM 1042 CE LYS B 11 -5.444 12.599 36.005 1.00 1.81 C ATOM 1043 NZ LYS B 11 -4.344 12.791 36.991 1.00 2.21 N ATOM 0 H LYS B 11 -5.729 8.367 33.631 1.00 0.33 H new ATOM 0 HA LYS B 11 -4.069 7.644 35.999 1.00 0.30 H new ATOM 0 HB2 LYS B 11 -6.901 8.757 35.518 1.00 0.34 H new ATOM 0 HB3 LYS B 11 -6.132 8.663 37.091 1.00 0.34 H new ATOM 0 HG2 LYS B 11 -4.242 10.114 36.201 1.00 1.03 H new ATOM 0 HG3 LYS B 11 -5.120 10.277 34.693 1.00 1.03 H new ATOM 0 HD2 LYS B 11 -7.096 11.205 36.001 1.00 1.03 H new ATOM 0 HD3 LYS B 11 -6.119 11.144 37.455 1.00 1.03 H new ATOM 0 HE2 LYS B 11 -5.062 12.592 34.984 1.00 1.81 H new ATOM 0 HE3 LYS B 11 -6.175 13.405 36.067 1.00 1.81 H new ATOM 0 HZ1 LYS B 11 -3.953 13.750 36.893 1.00 2.21 H new ATOM 0 HZ2 LYS B 11 -4.715 12.665 37.954 1.00 2.21 H new ATOM 0 HZ3 LYS B 11 -3.594 12.092 36.815 1.00 2.21 H new ATOM 1057 N VAL B 12 -5.274 5.660 36.912 1.00 0.23 N ATOM 1058 CA VAL B 12 -5.862 4.339 37.284 1.00 0.22 C ATOM 1059 C VAL B 12 -7.163 4.552 38.060 1.00 0.20 C ATOM 1060 O VAL B 12 -7.208 5.309 39.008 1.00 0.20 O ATOM 1061 CB VAL B 12 -4.822 3.675 38.190 1.00 0.21 C ATOM 1062 CG1 VAL B 12 -5.129 2.182 38.310 1.00 0.29 C ATOM 1063 CG2 VAL B 12 -3.421 3.863 37.606 1.00 0.29 C ATOM 0 H VAL B 12 -4.552 6.007 37.544 1.00 0.23 H new ATOM 0 HA VAL B 12 -6.091 3.731 36.409 1.00 0.22 H new ATOM 0 HB VAL B 12 -4.861 4.137 39.176 1.00 0.21 H new ATOM 0 HG11 VAL B 12 -4.389 1.709 38.955 1.00 0.29 H new ATOM 0 HG12 VAL B 12 -6.122 2.048 38.739 1.00 0.29 H new ATOM 0 HG13 VAL B 12 -5.095 1.723 37.322 1.00 0.29 H new ATOM 0 HG21 VAL B 12 -2.688 3.387 38.258 1.00 0.29 H new ATOM 0 HG22 VAL B 12 -3.375 3.409 36.616 1.00 0.29 H new ATOM 0 HG23 VAL B 12 -3.199 4.927 37.527 1.00 0.29 H new ATOM 1073 N ASP B 13 -8.218 3.887 37.679 1.00 0.21 N ATOM 1074 CA ASP B 13 -9.499 4.062 38.416 1.00 0.21 C ATOM 1075 C ASP B 13 -9.526 3.148 39.649 1.00 0.22 C ATOM 1076 O ASP B 13 -8.522 2.580 40.031 1.00 0.23 O ATOM 1077 CB ASP B 13 -10.600 3.697 37.408 1.00 0.22 C ATOM 1078 CG ASP B 13 -10.928 2.203 37.486 1.00 0.32 C ATOM 1079 OD1 ASP B 13 -10.235 1.424 36.857 1.00 0.27 O ATOM 1080 OD2 ASP B 13 -11.869 1.862 38.181 1.00 0.55 O ATOM 0 H ASP B 13 -8.249 3.235 36.895 1.00 0.21 H new ATOM 0 HA ASP B 13 -9.634 5.078 38.788 1.00 0.21 H new ATOM 0 HB2 ASP B 13 -11.496 4.283 37.612 1.00 0.22 H new ATOM 0 HB3 ASP B 13 -10.276 3.952 36.399 1.00 0.22 H new ATOM 1085 N GLU B 14 -10.625 3.116 40.351 1.00 0.23 N ATOM 1086 CA GLU B 14 -10.659 2.379 41.650 1.00 0.26 C ATOM 1087 C GLU B 14 -10.266 0.906 41.473 1.00 0.26 C ATOM 1088 O GLU B 14 -9.667 0.312 42.347 1.00 0.30 O ATOM 1089 CB GLU B 14 -12.109 2.488 42.123 1.00 0.28 C ATOM 1090 CG GLU B 14 -12.446 3.954 42.402 1.00 1.22 C ATOM 1091 CD GLU B 14 -13.876 4.055 42.938 1.00 1.57 C ATOM 1092 OE1 GLU B 14 -14.570 3.053 42.909 1.00 2.19 O ATOM 1093 OE2 GLU B 14 -14.251 5.133 43.369 1.00 1.99 O ATOM 0 H GLU B 14 -11.500 3.567 40.084 1.00 0.23 H new ATOM 0 HA GLU B 14 -9.950 2.797 42.365 1.00 0.26 H new ATOM 0 HB2 GLU B 14 -12.781 2.087 41.364 1.00 0.28 H new ATOM 0 HB3 GLU B 14 -12.254 1.892 43.024 1.00 0.28 H new ATOM 0 HG2 GLU B 14 -11.745 4.368 43.126 1.00 1.22 H new ATOM 0 HG3 GLU B 14 -12.346 4.541 41.489 1.00 1.22 H new ATOM 1100 N LEU B 15 -10.693 0.278 40.412 1.00 0.23 N ATOM 1101 CA LEU B 15 -10.444 -1.187 40.273 1.00 0.25 C ATOM 1102 C LEU B 15 -9.044 -1.471 39.715 1.00 0.23 C ATOM 1103 O LEU B 15 -8.632 -2.608 39.611 1.00 0.25 O ATOM 1104 CB LEU B 15 -11.512 -1.690 39.304 1.00 0.28 C ATOM 1105 CG LEU B 15 -11.253 -3.165 38.988 1.00 0.38 C ATOM 1106 CD1 LEU B 15 -11.008 -3.933 40.290 1.00 1.28 C ATOM 1107 CD2 LEU B 15 -12.471 -3.753 38.272 1.00 1.39 C ATOM 0 H LEU B 15 -11.200 0.711 39.640 1.00 0.23 H new ATOM 0 HA LEU B 15 -10.494 -1.686 41.241 1.00 0.25 H new ATOM 0 HB2 LEU B 15 -12.503 -1.568 39.742 1.00 0.28 H new ATOM 0 HB3 LEU B 15 -11.494 -1.101 38.387 1.00 0.28 H new ATOM 0 HG LEU B 15 -10.376 -3.250 38.347 1.00 0.38 H new ATOM 0 HD11 LEU B 15 -10.824 -4.983 40.064 1.00 1.28 H new ATOM 0 HD12 LEU B 15 -10.141 -3.515 40.802 1.00 1.28 H new ATOM 0 HD13 LEU B 15 -11.884 -3.849 40.933 1.00 1.28 H new ATOM 0 HD21 LEU B 15 -12.288 -4.804 38.046 1.00 1.39 H new ATOM 0 HD22 LEU B 15 -13.347 -3.667 38.914 1.00 1.39 H new ATOM 0 HD23 LEU B 15 -12.646 -3.208 37.345 1.00 1.39 H new ATOM 1119 N GLY B 16 -8.322 -0.462 39.313 1.00 0.21 N ATOM 1120 CA GLY B 16 -6.976 -0.715 38.720 1.00 0.20 C ATOM 1121 C GLY B 16 -7.134 -1.140 37.257 1.00 0.21 C ATOM 1122 O GLY B 16 -6.578 -2.131 36.819 1.00 0.21 O ATOM 0 H GLY B 16 -8.601 0.518 39.368 1.00 0.21 H new ATOM 0 HA2 GLY B 16 -6.364 0.184 38.784 1.00 0.20 H new ATOM 0 HA3 GLY B 16 -6.460 -1.493 39.282 1.00 0.20 H new ATOM 1126 N ARG B 17 -7.927 -0.428 36.507 1.00 0.24 N ATOM 1127 CA ARG B 17 -8.161 -0.820 35.090 1.00 0.27 C ATOM 1128 C ARG B 17 -7.585 0.241 34.150 1.00 0.26 C ATOM 1129 O ARG B 17 -7.447 1.395 34.507 1.00 0.26 O ATOM 1130 CB ARG B 17 -9.682 -0.901 34.950 1.00 0.29 C ATOM 1131 CG ARG B 17 -10.207 -2.067 35.791 1.00 0.29 C ATOM 1132 CD ARG B 17 -11.719 -2.195 35.603 1.00 0.29 C ATOM 1133 NE ARG B 17 -12.294 -1.014 36.302 1.00 0.57 N ATOM 1134 CZ ARG B 17 -13.564 -0.995 36.616 1.00 0.79 C ATOM 1135 NH1 ARG B 17 -14.338 -1.992 36.278 1.00 0.73 N ATOM 1136 NH2 ARG B 17 -14.062 0.021 37.267 1.00 1.14 N ATOM 0 H ARG B 17 -8.423 0.409 36.814 1.00 0.24 H new ATOM 0 HA ARG B 17 -7.680 -1.764 34.833 1.00 0.27 H new ATOM 0 HB2 ARG B 17 -10.139 0.033 35.277 1.00 0.29 H new ATOM 0 HB3 ARG B 17 -9.955 -1.040 33.904 1.00 0.29 H new ATOM 0 HG2 ARG B 17 -9.714 -2.993 35.495 1.00 0.29 H new ATOM 0 HG3 ARG B 17 -9.974 -1.904 36.843 1.00 0.29 H new ATOM 0 HD2 ARG B 17 -11.987 -2.198 34.546 1.00 0.29 H new ATOM 0 HD3 ARG B 17 -12.092 -3.126 36.029 1.00 0.29 H new ATOM 0 HE ARG B 17 -11.698 -0.220 36.536 1.00 0.57 H new ATOM 0 HH11 ARG B 17 -13.952 -2.787 35.768 1.00 0.73 H new ATOM 0 HH12 ARG B 17 -15.328 -1.975 36.524 1.00 0.73 H new ATOM 0 HH21 ARG B 17 -13.461 0.801 37.532 1.00 1.14 H new ATOM 0 HH22 ARG B 17 -15.052 0.034 37.511 1.00 1.14 H new ATOM 1150 N VAL B 18 -7.245 -0.142 32.951 1.00 0.26 N ATOM 1151 CA VAL B 18 -6.675 0.840 31.985 1.00 0.26 C ATOM 1152 C VAL B 18 -7.515 0.857 30.707 1.00 0.24 C ATOM 1153 O VAL B 18 -8.201 -0.095 30.396 1.00 0.25 O ATOM 1154 CB VAL B 18 -5.262 0.336 31.692 1.00 0.26 C ATOM 1155 CG1 VAL B 18 -4.503 0.149 33.007 1.00 0.28 C ATOM 1156 CG2 VAL B 18 -5.343 -1.005 30.957 1.00 0.26 C ATOM 0 H VAL B 18 -7.337 -1.094 32.597 1.00 0.26 H new ATOM 0 HA VAL B 18 -6.668 1.856 32.379 1.00 0.26 H new ATOM 0 HB VAL B 18 -4.739 1.063 31.071 1.00 0.26 H new ATOM 0 HG11 VAL B 18 -3.495 -0.210 32.798 1.00 0.28 H new ATOM 0 HG12 VAL B 18 -4.446 1.102 33.533 1.00 0.28 H new ATOM 0 HG13 VAL B 18 -5.026 -0.578 33.629 1.00 0.28 H new ATOM 0 HG21 VAL B 18 -4.336 -1.366 30.747 1.00 0.26 H new ATOM 0 HG22 VAL B 18 -5.866 -1.730 31.580 1.00 0.26 H new ATOM 0 HG23 VAL B 18 -5.884 -0.874 30.020 1.00 0.26 H new ATOM 1166 N VAL B 19 -7.533 1.957 30.009 1.00 0.23 N ATOM 1167 CA VAL B 19 -8.410 2.056 28.809 1.00 0.22 C ATOM 1168 C VAL B 19 -7.572 2.113 27.532 1.00 0.22 C ATOM 1169 O VAL B 19 -6.647 2.891 27.419 1.00 0.24 O ATOM 1170 CB VAL B 19 -9.185 3.361 28.996 1.00 0.22 C ATOM 1171 CG1 VAL B 19 -10.271 3.469 27.923 1.00 0.23 C ATOM 1172 CG2 VAL B 19 -9.832 3.375 30.382 1.00 0.24 C ATOM 0 H VAL B 19 -6.981 2.789 30.216 1.00 0.23 H new ATOM 0 HA VAL B 19 -9.069 1.194 28.712 1.00 0.22 H new ATOM 0 HB VAL B 19 -8.502 4.206 28.906 1.00 0.22 H new ATOM 0 HG11 VAL B 19 -10.823 4.399 28.057 1.00 0.23 H new ATOM 0 HG12 VAL B 19 -9.809 3.460 26.936 1.00 0.23 H new ATOM 0 HG13 VAL B 19 -10.955 2.625 28.011 1.00 0.23 H new ATOM 0 HG21 VAL B 19 -10.385 4.305 30.516 1.00 0.24 H new ATOM 0 HG22 VAL B 19 -10.515 2.531 30.473 1.00 0.24 H new ATOM 0 HG23 VAL B 19 -9.058 3.300 31.146 1.00 0.24 H new ATOM 1182 N ILE B 20 -7.955 1.365 26.534 1.00 0.22 N ATOM 1183 CA ILE B 20 -7.252 1.458 25.224 1.00 0.24 C ATOM 1184 C ILE B 20 -7.791 2.657 24.435 1.00 0.24 C ATOM 1185 O ILE B 20 -8.984 2.832 24.327 1.00 0.23 O ATOM 1186 CB ILE B 20 -7.586 0.140 24.517 1.00 0.23 C ATOM 1187 CG1 ILE B 20 -6.640 -0.955 25.015 1.00 0.29 C ATOM 1188 CG2 ILE B 20 -7.425 0.299 23.003 1.00 0.25 C ATOM 1189 CD1 ILE B 20 -7.161 -2.322 24.572 1.00 1.38 C ATOM 0 H ILE B 20 -8.723 0.695 26.569 1.00 0.22 H new ATOM 0 HA ILE B 20 -6.176 1.603 25.324 1.00 0.24 H new ATOM 0 HB ILE B 20 -8.618 -0.132 24.739 1.00 0.23 H new ATOM 0 HG12 ILE B 20 -5.637 -0.791 24.620 1.00 0.29 H new ATOM 0 HG13 ILE B 20 -6.564 -0.918 26.102 1.00 0.29 H new ATOM 0 HG21 ILE B 20 -7.665 -0.643 22.511 1.00 0.25 H new ATOM 0 HG22 ILE B 20 -8.099 1.077 22.645 1.00 0.25 H new ATOM 0 HG23 ILE B 20 -6.396 0.577 22.774 1.00 0.25 H new ATOM 0 HD11 ILE B 20 -6.486 -3.101 24.927 1.00 1.38 H new ATOM 0 HD12 ILE B 20 -8.155 -2.485 24.989 1.00 1.38 H new ATOM 0 HD13 ILE B 20 -7.214 -2.356 23.484 1.00 1.38 H new ATOM 1201 N PRO B 21 -6.893 3.411 23.864 1.00 0.28 N ATOM 1202 CA PRO B 21 -7.300 4.562 23.021 1.00 0.30 C ATOM 1203 C PRO B 21 -8.185 4.081 21.868 1.00 0.28 C ATOM 1204 O PRO B 21 -7.988 3.009 21.331 1.00 0.27 O ATOM 1205 CB PRO B 21 -5.980 5.134 22.498 1.00 0.35 C ATOM 1206 CG PRO B 21 -4.934 4.105 22.804 1.00 0.36 C ATOM 1207 CD PRO B 21 -5.441 3.266 23.944 1.00 0.32 C ATOM 0 HA PRO B 21 -7.880 5.306 23.568 1.00 0.30 H new ATOM 0 HB2 PRO B 21 -6.036 5.327 21.427 1.00 0.35 H new ATOM 0 HB3 PRO B 21 -5.747 6.083 22.981 1.00 0.35 H new ATOM 0 HG2 PRO B 21 -4.740 3.485 21.929 1.00 0.36 H new ATOM 0 HG3 PRO B 21 -3.992 4.584 23.071 1.00 0.36 H new ATOM 0 HD2 PRO B 21 -5.137 2.224 23.841 1.00 0.32 H new ATOM 0 HD3 PRO B 21 -5.056 3.617 24.901 1.00 0.32 H new ATOM 1215 N ILE B 22 -9.180 4.843 21.505 1.00 0.30 N ATOM 1216 CA ILE B 22 -10.098 4.394 20.417 1.00 0.30 C ATOM 1217 C ILE B 22 -9.304 4.070 19.151 1.00 0.33 C ATOM 1218 O ILE B 22 -9.661 3.191 18.393 1.00 0.32 O ATOM 1219 CB ILE B 22 -11.034 5.578 20.173 1.00 0.36 C ATOM 1220 CG1 ILE B 22 -12.210 5.125 19.302 1.00 0.41 C ATOM 1221 CG2 ILE B 22 -10.272 6.694 19.458 1.00 0.43 C ATOM 1222 CD1 ILE B 22 -13.039 4.088 20.059 1.00 1.11 C ATOM 0 H ILE B 22 -9.397 5.753 21.912 1.00 0.30 H new ATOM 0 HA ILE B 22 -10.644 3.490 20.688 1.00 0.30 H new ATOM 0 HB ILE B 22 -11.407 5.948 21.128 1.00 0.36 H new ATOM 0 HG12 ILE B 22 -12.832 5.981 19.039 1.00 0.41 H new ATOM 0 HG13 ILE B 22 -11.842 4.700 18.368 1.00 0.41 H new ATOM 0 HG21 ILE B 22 -10.940 7.538 19.285 1.00 0.43 H new ATOM 0 HG22 ILE B 22 -9.434 7.016 20.076 1.00 0.43 H new ATOM 0 HG23 ILE B 22 -9.898 6.325 18.503 1.00 0.43 H new ATOM 0 HD11 ILE B 22 -13.875 3.767 19.438 1.00 1.11 H new ATOM 0 HD12 ILE B 22 -12.414 3.228 20.299 1.00 1.11 H new ATOM 0 HD13 ILE B 22 -13.420 4.529 20.980 1.00 1.11 H new ATOM 1234 N GLU B 23 -8.219 4.753 18.923 1.00 0.36 N ATOM 1235 CA GLU B 23 -7.401 4.456 17.714 1.00 0.40 C ATOM 1236 C GLU B 23 -6.935 2.999 17.749 1.00 0.37 C ATOM 1237 O GLU B 23 -6.871 2.329 16.737 1.00 0.39 O ATOM 1238 CB GLU B 23 -6.205 5.404 17.803 1.00 0.44 C ATOM 1239 CG GLU B 23 -6.691 6.851 17.703 1.00 1.22 C ATOM 1240 CD GLU B 23 -5.487 7.795 17.721 1.00 1.62 C ATOM 1241 OE1 GLU B 23 -4.390 7.321 17.967 1.00 2.00 O ATOM 1242 OE2 GLU B 23 -5.682 8.977 17.487 1.00 2.37 O ATOM 0 H GLU B 23 -7.863 5.501 19.518 1.00 0.36 H new ATOM 0 HA GLU B 23 -7.959 4.594 16.788 1.00 0.40 H new ATOM 0 HB2 GLU B 23 -5.676 5.251 18.744 1.00 0.44 H new ATOM 0 HB3 GLU B 23 -5.498 5.191 17.001 1.00 0.44 H new ATOM 0 HG2 GLU B 23 -7.263 6.991 16.786 1.00 1.22 H new ATOM 0 HG3 GLU B 23 -7.359 7.080 18.533 1.00 1.22 H new ATOM 1249 N LEU B 24 -6.643 2.496 18.918 1.00 0.34 N ATOM 1250 CA LEU B 24 -6.223 1.072 19.039 1.00 0.33 C ATOM 1251 C LEU B 24 -7.443 0.150 19.037 1.00 0.29 C ATOM 1252 O LEU B 24 -7.394 -0.949 18.524 1.00 0.30 O ATOM 1253 CB LEU B 24 -5.480 0.988 20.371 1.00 0.33 C ATOM 1254 CG LEU B 24 -4.209 1.835 20.298 1.00 0.93 C ATOM 1255 CD1 LEU B 24 -3.387 1.636 21.574 1.00 1.41 C ATOM 1256 CD2 LEU B 24 -3.378 1.403 19.087 1.00 1.75 C ATOM 0 H LEU B 24 -6.678 3.013 19.797 1.00 0.34 H new ATOM 0 HA LEU B 24 -5.596 0.757 18.205 1.00 0.33 H new ATOM 0 HB2 LEU B 24 -6.120 1.341 21.180 1.00 0.33 H new ATOM 0 HB3 LEU B 24 -5.227 -0.049 20.594 1.00 0.33 H new ATOM 0 HG LEU B 24 -4.480 2.886 20.200 1.00 0.93 H new ATOM 0 HD11 LEU B 24 -2.481 2.240 21.521 1.00 1.41 H new ATOM 0 HD12 LEU B 24 -3.977 1.941 22.438 1.00 1.41 H new ATOM 0 HD13 LEU B 24 -3.117 0.585 21.672 1.00 1.41 H new ATOM 0 HD21 LEU B 24 -2.472 2.006 19.034 1.00 1.75 H new ATOM 0 HD22 LEU B 24 -3.109 0.351 19.187 1.00 1.75 H new ATOM 0 HD23 LEU B 24 -3.961 1.543 18.177 1.00 1.75 H new ATOM 1268 N ARG B 25 -8.560 0.605 19.542 1.00 0.26 N ATOM 1269 CA ARG B 25 -9.782 -0.244 19.479 1.00 0.23 C ATOM 1270 C ARG B 25 -10.084 -0.588 18.021 1.00 0.26 C ATOM 1271 O ARG B 25 -10.441 -1.702 17.694 1.00 0.25 O ATOM 1272 CB ARG B 25 -10.920 0.608 20.051 1.00 0.22 C ATOM 1273 CG ARG B 25 -10.641 0.976 21.510 1.00 0.21 C ATOM 1274 CD ARG B 25 -11.895 1.626 22.107 1.00 0.22 C ATOM 1275 NE ARG B 25 -11.420 2.386 23.294 1.00 0.23 N ATOM 1276 CZ ARG B 25 -12.145 3.353 23.790 1.00 0.26 C ATOM 1277 NH1 ARG B 25 -13.300 3.648 23.256 1.00 0.30 N ATOM 1278 NH2 ARG B 25 -11.716 4.023 24.824 1.00 0.27 N ATOM 0 H ARG B 25 -8.677 1.514 19.989 1.00 0.26 H new ATOM 0 HA ARG B 25 -9.658 -1.174 20.035 1.00 0.23 H new ATOM 0 HB2 ARG B 25 -11.035 1.515 19.458 1.00 0.22 H new ATOM 0 HB3 ARG B 25 -11.860 0.061 19.982 1.00 0.22 H new ATOM 0 HG2 ARG B 25 -10.371 0.086 22.078 1.00 0.21 H new ATOM 0 HG3 ARG B 25 -9.796 1.662 21.571 1.00 0.21 H new ATOM 0 HD2 ARG B 25 -12.377 2.286 21.385 1.00 0.22 H new ATOM 0 HD3 ARG B 25 -12.630 0.873 22.391 1.00 0.22 H new ATOM 0 HE ARG B 25 -10.525 2.151 23.722 1.00 0.23 H new ATOM 0 HH11 ARG B 25 -13.638 3.123 22.450 1.00 0.30 H new ATOM 0 HH12 ARG B 25 -13.864 4.404 23.645 1.00 0.30 H new ATOM 0 HH21 ARG B 25 -10.816 3.792 25.244 1.00 0.27 H new ATOM 0 HH22 ARG B 25 -12.281 4.778 25.212 1.00 0.27 H new ATOM 1292 N ARG B 26 -9.989 0.378 17.148 1.00 0.29 N ATOM 1293 CA ARG B 26 -10.325 0.125 15.719 1.00 0.33 C ATOM 1294 C ARG B 26 -9.223 -0.698 15.043 1.00 0.35 C ATOM 1295 O ARG B 26 -9.488 -1.675 14.374 1.00 0.35 O ATOM 1296 CB ARG B 26 -10.419 1.514 15.086 1.00 0.37 C ATOM 1297 CG ARG B 26 -11.587 2.281 15.708 1.00 1.07 C ATOM 1298 CD ARG B 26 -11.760 3.620 14.987 1.00 1.25 C ATOM 1299 NE ARG B 26 -10.440 4.298 15.111 1.00 1.86 N ATOM 1300 CZ ARG B 26 -10.158 5.328 14.358 1.00 2.33 C ATOM 1301 NH1 ARG B 26 -11.032 5.770 13.496 1.00 2.42 N ATOM 1302 NH2 ARG B 26 -8.999 5.916 14.469 1.00 3.27 N ATOM 0 H ARG B 26 -9.693 1.330 17.363 1.00 0.29 H new ATOM 0 HA ARG B 26 -11.250 -0.442 15.610 1.00 0.33 H new ATOM 0 HB2 ARG B 26 -9.488 2.060 15.241 1.00 0.37 H new ATOM 0 HB3 ARG B 26 -10.561 1.425 14.009 1.00 0.37 H new ATOM 0 HG2 ARG B 26 -12.503 1.694 15.633 1.00 1.07 H new ATOM 0 HG3 ARG B 26 -11.402 2.448 16.769 1.00 1.07 H new ATOM 0 HD2 ARG B 26 -12.032 3.473 13.942 1.00 1.25 H new ATOM 0 HD3 ARG B 26 -12.553 4.214 15.442 1.00 1.25 H new ATOM 0 HE ARG B 26 -9.754 3.958 15.785 1.00 1.86 H new ATOM 0 HH11 ARG B 26 -11.939 5.311 13.408 1.00 2.42 H new ATOM 0 HH12 ARG B 26 -10.808 6.574 12.910 1.00 2.42 H new ATOM 0 HH21 ARG B 26 -8.315 5.572 15.143 1.00 3.27 H new ATOM 0 HH22 ARG B 26 -8.777 6.720 13.882 1.00 3.27 H new ATOM 1316 N THR B 27 -7.993 -0.287 15.185 1.00 0.37 N ATOM 1317 CA THR B 27 -6.875 -1.017 14.517 1.00 0.41 C ATOM 1318 C THR B 27 -6.750 -2.443 15.065 1.00 0.39 C ATOM 1319 O THR B 27 -6.303 -3.340 14.380 1.00 0.42 O ATOM 1320 CB THR B 27 -5.622 -0.204 14.841 1.00 0.44 C ATOM 1321 OG1 THR B 27 -5.818 1.143 14.434 1.00 0.61 O ATOM 1322 CG2 THR B 27 -4.423 -0.795 14.098 1.00 0.77 C ATOM 0 H THR B 27 -7.712 0.524 15.736 1.00 0.37 H new ATOM 0 HA THR B 27 -7.036 -1.113 13.443 1.00 0.41 H new ATOM 0 HB THR B 27 -5.433 -0.236 15.914 1.00 0.44 H new ATOM 0 HG1 THR B 27 -6.178 1.662 15.183 1.00 0.61 H new ATOM 0 HG21 THR B 27 -3.530 -0.215 14.329 1.00 0.77 H new ATOM 0 HG22 THR B 27 -4.275 -1.829 14.410 1.00 0.77 H new ATOM 0 HG23 THR B 27 -4.608 -0.763 13.024 1.00 0.77 H new ATOM 1330 N LEU B 28 -7.072 -2.644 16.313 1.00 0.35 N ATOM 1331 CA LEU B 28 -6.895 -3.998 16.914 1.00 0.35 C ATOM 1332 C LEU B 28 -8.138 -4.865 16.675 1.00 0.33 C ATOM 1333 O LEU B 28 -8.156 -6.037 16.992 1.00 0.33 O ATOM 1334 CB LEU B 28 -6.691 -3.744 18.407 1.00 0.33 C ATOM 1335 CG LEU B 28 -6.218 -5.031 19.083 1.00 0.44 C ATOM 1336 CD1 LEU B 28 -4.767 -5.315 18.686 1.00 0.70 C ATOM 1337 CD2 LEU B 28 -6.306 -4.869 20.602 1.00 1.05 C ATOM 0 H LEU B 28 -7.448 -1.934 16.941 1.00 0.35 H new ATOM 0 HA LEU B 28 -6.055 -4.535 16.472 1.00 0.35 H new ATOM 0 HB2 LEU B 28 -5.957 -2.952 18.555 1.00 0.33 H new ATOM 0 HB3 LEU B 28 -7.623 -3.404 18.860 1.00 0.33 H new ATOM 0 HG LEU B 28 -6.850 -5.860 18.766 1.00 0.44 H new ATOM 0 HD11 LEU B 28 -4.431 -6.233 19.168 1.00 0.70 H new ATOM 0 HD12 LEU B 28 -4.701 -5.429 17.604 1.00 0.70 H new ATOM 0 HD13 LEU B 28 -4.134 -4.486 19.003 1.00 0.70 H new ATOM 0 HD21 LEU B 28 -5.969 -5.786 21.086 1.00 1.05 H new ATOM 0 HD22 LEU B 28 -5.673 -4.039 20.917 1.00 1.05 H new ATOM 0 HD23 LEU B 28 -7.338 -4.667 20.887 1.00 1.05 H new ATOM 1349 N GLY B 29 -9.171 -4.307 16.102 1.00 0.32 N ATOM 1350 CA GLY B 29 -10.392 -5.118 15.826 1.00 0.32 C ATOM 1351 C GLY B 29 -11.040 -5.537 17.147 1.00 0.29 C ATOM 1352 O GLY B 29 -11.441 -6.670 17.319 1.00 0.29 O ATOM 0 H GLY B 29 -9.222 -3.330 15.814 1.00 0.32 H new ATOM 0 HA2 GLY B 29 -11.098 -4.539 15.231 1.00 0.32 H new ATOM 0 HA3 GLY B 29 -10.130 -6.000 15.242 1.00 0.32 H new ATOM 1356 N ILE B 30 -11.126 -4.638 18.089 1.00 0.27 N ATOM 1357 CA ILE B 30 -11.727 -4.997 19.404 1.00 0.24 C ATOM 1358 C ILE B 30 -13.007 -4.197 19.648 1.00 0.23 C ATOM 1359 O ILE B 30 -13.095 -3.026 19.334 1.00 0.26 O ATOM 1360 CB ILE B 30 -10.666 -4.640 20.443 1.00 0.27 C ATOM 1361 CG1 ILE B 30 -9.376 -5.403 20.136 1.00 0.41 C ATOM 1362 CG2 ILE B 30 -11.166 -5.027 21.836 1.00 0.33 C ATOM 1363 CD1 ILE B 30 -9.695 -6.889 19.954 1.00 0.30 C ATOM 0 H ILE B 30 -10.807 -3.673 18.005 1.00 0.27 H new ATOM 0 HA ILE B 30 -12.003 -6.051 19.449 1.00 0.24 H new ATOM 0 HB ILE B 30 -10.472 -3.568 20.411 1.00 0.27 H new ATOM 0 HG12 ILE B 30 -8.912 -5.006 19.233 1.00 0.41 H new ATOM 0 HG13 ILE B 30 -8.660 -5.270 20.947 1.00 0.41 H new ATOM 0 HG21 ILE B 30 -10.409 -4.772 22.578 1.00 0.33 H new ATOM 0 HG22 ILE B 30 -12.086 -4.486 22.056 1.00 0.33 H new ATOM 0 HG23 ILE B 30 -11.359 -6.099 21.868 1.00 0.33 H new ATOM 0 HD11 ILE B 30 -8.777 -7.434 19.735 1.00 0.30 H new ATOM 0 HD12 ILE B 30 -10.140 -7.280 20.869 1.00 0.30 H new ATOM 0 HD13 ILE B 30 -10.396 -7.012 19.128 1.00 0.30 H new ATOM 1375 N ALA B 31 -14.016 -4.841 20.164 1.00 0.22 N ATOM 1376 CA ALA B 31 -15.319 -4.156 20.387 1.00 0.23 C ATOM 1377 C ALA B 31 -15.953 -4.648 21.692 1.00 0.20 C ATOM 1378 O ALA B 31 -15.527 -5.628 22.270 1.00 0.19 O ATOM 1379 CB ALA B 31 -16.184 -4.555 19.193 1.00 0.23 C ATOM 0 H ALA B 31 -13.993 -5.822 20.443 1.00 0.22 H new ATOM 0 HA ALA B 31 -15.210 -3.075 20.470 1.00 0.23 H new ATOM 0 HB1 ALA B 31 -17.165 -4.089 19.283 1.00 0.23 H new ATOM 0 HB2 ALA B 31 -15.707 -4.222 18.271 1.00 0.23 H new ATOM 0 HB3 ALA B 31 -16.298 -5.639 19.172 1.00 0.23 H new ATOM 1385 N GLU B 32 -16.961 -3.971 22.165 1.00 0.22 N ATOM 1386 CA GLU B 32 -17.611 -4.396 23.439 1.00 0.21 C ATOM 1387 C GLU B 32 -18.029 -5.869 23.365 1.00 0.19 C ATOM 1388 O GLU B 32 -18.457 -6.350 22.337 1.00 0.20 O ATOM 1389 CB GLU B 32 -18.843 -3.500 23.570 1.00 0.25 C ATOM 1390 CG GLU B 32 -19.531 -3.770 24.909 1.00 0.27 C ATOM 1391 CD GLU B 32 -20.827 -2.962 24.990 1.00 0.32 C ATOM 1392 OE1 GLU B 32 -21.118 -2.250 24.044 1.00 1.12 O ATOM 1393 OE2 GLU B 32 -21.506 -3.068 25.998 1.00 1.13 O ATOM 0 H GLU B 32 -17.364 -3.143 21.727 1.00 0.22 H new ATOM 0 HA GLU B 32 -16.939 -4.302 24.292 1.00 0.21 H new ATOM 0 HB2 GLU B 32 -18.552 -2.452 23.504 1.00 0.25 H new ATOM 0 HB3 GLU B 32 -19.534 -3.692 22.749 1.00 0.25 H new ATOM 0 HG2 GLU B 32 -19.746 -4.834 25.011 1.00 0.27 H new ATOM 0 HG3 GLU B 32 -18.869 -3.498 25.731 1.00 0.27 H new ATOM 1400 N LYS B 33 -17.960 -6.564 24.472 1.00 0.19 N ATOM 1401 CA LYS B 33 -18.410 -7.991 24.521 1.00 0.20 C ATOM 1402 C LYS B 33 -17.398 -8.914 23.830 1.00 0.18 C ATOM 1403 O LYS B 33 -17.497 -10.122 23.915 1.00 0.21 O ATOM 1404 CB LYS B 33 -19.756 -8.029 23.794 1.00 0.23 C ATOM 1405 CG LYS B 33 -20.502 -9.310 24.173 1.00 0.29 C ATOM 1406 CD LYS B 33 -21.821 -9.381 23.401 1.00 0.86 C ATOM 1407 CE LYS B 33 -22.642 -10.571 23.900 1.00 1.35 C ATOM 1408 NZ LYS B 33 -23.683 -10.785 22.857 1.00 1.88 N ATOM 0 H LYS B 33 -17.606 -6.199 25.356 1.00 0.19 H new ATOM 0 HA LYS B 33 -18.497 -8.342 25.549 1.00 0.20 H new ATOM 0 HB2 LYS B 33 -20.351 -7.156 24.061 1.00 0.23 H new ATOM 0 HB3 LYS B 33 -19.601 -7.991 22.716 1.00 0.23 H new ATOM 0 HG2 LYS B 33 -19.888 -10.182 23.946 1.00 0.29 H new ATOM 0 HG3 LYS B 33 -20.695 -9.327 25.246 1.00 0.29 H new ATOM 0 HD2 LYS B 33 -22.383 -8.457 23.535 1.00 0.86 H new ATOM 0 HD3 LYS B 33 -21.625 -9.483 22.334 1.00 0.86 H new ATOM 0 HE2 LYS B 33 -22.019 -11.457 24.023 1.00 1.35 H new ATOM 0 HE3 LYS B 33 -23.092 -10.361 24.870 1.00 1.35 H new ATOM 0 HZ1 LYS B 33 -24.287 -11.587 23.129 1.00 1.88 H new ATOM 0 HZ2 LYS B 33 -24.265 -9.928 22.767 1.00 1.88 H new ATOM 0 HZ3 LYS B 33 -23.225 -10.990 21.946 1.00 1.88 H new ATOM 1422 N ASP B 34 -16.374 -8.367 23.233 1.00 0.16 N ATOM 1423 CA ASP B 34 -15.309 -9.236 22.651 1.00 0.16 C ATOM 1424 C ASP B 34 -14.405 -9.771 23.762 1.00 0.19 C ATOM 1425 O ASP B 34 -14.508 -9.367 24.903 1.00 0.20 O ATOM 1426 CB ASP B 34 -14.523 -8.334 21.704 1.00 0.17 C ATOM 1427 CG ASP B 34 -15.357 -8.069 20.451 1.00 0.18 C ATOM 1428 OD1 ASP B 34 -16.401 -8.685 20.316 1.00 1.10 O ATOM 1429 OD2 ASP B 34 -14.935 -7.255 19.650 1.00 1.09 O ATOM 0 H ASP B 34 -16.228 -7.363 23.123 1.00 0.16 H new ATOM 0 HA ASP B 34 -15.721 -10.100 22.130 1.00 0.16 H new ATOM 0 HB2 ASP B 34 -14.279 -7.394 22.198 1.00 0.17 H new ATOM 0 HB3 ASP B 34 -13.579 -8.806 21.433 1.00 0.17 H new ATOM 1434 N ALA B 35 -13.574 -10.730 23.457 1.00 0.22 N ATOM 1435 CA ALA B 35 -12.731 -11.345 24.522 1.00 0.28 C ATOM 1436 C ALA B 35 -11.277 -10.873 24.406 1.00 0.20 C ATOM 1437 O ALA B 35 -10.657 -10.984 23.367 1.00 0.16 O ATOM 1438 CB ALA B 35 -12.828 -12.850 24.276 1.00 0.36 C ATOM 0 H ALA B 35 -13.442 -11.113 22.521 1.00 0.22 H new ATOM 0 HA ALA B 35 -13.067 -11.067 25.521 1.00 0.28 H new ATOM 0 HB1 ALA B 35 -12.233 -13.379 25.020 1.00 0.36 H new ATOM 0 HB2 ALA B 35 -13.869 -13.165 24.353 1.00 0.36 H new ATOM 0 HB3 ALA B 35 -12.452 -13.081 23.279 1.00 0.36 H new ATOM 1444 N LEU B 36 -10.703 -10.447 25.498 1.00 0.24 N ATOM 1445 CA LEU B 36 -9.256 -10.082 25.499 1.00 0.21 C ATOM 1446 C LEU B 36 -8.467 -11.148 26.258 1.00 0.19 C ATOM 1447 O LEU B 36 -8.893 -11.603 27.296 1.00 0.23 O ATOM 1448 CB LEU B 36 -9.177 -8.757 26.256 1.00 0.34 C ATOM 1449 CG LEU B 36 -10.232 -7.784 25.734 1.00 0.45 C ATOM 1450 CD1 LEU B 36 -10.501 -6.731 26.808 1.00 0.55 C ATOM 1451 CD2 LEU B 36 -9.715 -7.102 24.465 1.00 0.56 C ATOM 0 H LEU B 36 -11.176 -10.335 26.395 1.00 0.24 H new ATOM 0 HA LEU B 36 -8.848 -10.006 24.491 1.00 0.21 H new ATOM 0 HB2 LEU B 36 -9.328 -8.930 27.322 1.00 0.34 H new ATOM 0 HB3 LEU B 36 -8.184 -8.323 26.141 1.00 0.34 H new ATOM 0 HG LEU B 36 -11.152 -8.321 25.501 1.00 0.45 H new ATOM 0 HD11 LEU B 36 -11.253 -6.029 26.449 1.00 0.55 H new ATOM 0 HD12 LEU B 36 -10.863 -7.219 27.713 1.00 0.55 H new ATOM 0 HD13 LEU B 36 -9.579 -6.193 27.029 1.00 0.55 H new ATOM 0 HD21 LEU B 36 -10.468 -6.408 24.093 1.00 0.56 H new ATOM 0 HD22 LEU B 36 -8.799 -6.556 24.692 1.00 0.56 H new ATOM 0 HD23 LEU B 36 -9.509 -7.856 23.705 1.00 0.56 H new ATOM 1463 N GLU B 37 -7.274 -11.458 25.834 1.00 0.18 N ATOM 1464 CA GLU B 37 -6.435 -12.385 26.644 1.00 0.20 C ATOM 1465 C GLU B 37 -5.294 -11.610 27.306 1.00 0.18 C ATOM 1466 O GLU B 37 -4.765 -10.669 26.748 1.00 0.19 O ATOM 1467 CB GLU B 37 -5.902 -13.422 25.653 1.00 0.24 C ATOM 1468 CG GLU B 37 -5.180 -14.534 26.416 1.00 0.26 C ATOM 1469 CD GLU B 37 -4.610 -15.548 25.423 1.00 0.36 C ATOM 1470 OE1 GLU B 37 -4.754 -15.328 24.232 1.00 1.17 O ATOM 1471 OE2 GLU B 37 -4.037 -16.529 25.871 1.00 1.07 O ATOM 0 H GLU B 37 -6.847 -11.115 24.973 1.00 0.18 H new ATOM 0 HA GLU B 37 -6.997 -12.862 27.447 1.00 0.20 H new ATOM 0 HB2 GLU B 37 -6.723 -13.840 25.071 1.00 0.24 H new ATOM 0 HB3 GLU B 37 -5.220 -12.949 24.947 1.00 0.24 H new ATOM 0 HG2 GLU B 37 -4.378 -14.112 27.022 1.00 0.26 H new ATOM 0 HG3 GLU B 37 -5.870 -15.028 27.100 1.00 0.26 H new ATOM 1478 N ILE B 38 -5.021 -11.903 28.547 1.00 0.20 N ATOM 1479 CA ILE B 38 -4.045 -11.082 29.314 1.00 0.20 C ATOM 1480 C ILE B 38 -2.748 -11.861 29.537 1.00 0.19 C ATOM 1481 O ILE B 38 -2.759 -13.023 29.904 1.00 0.23 O ATOM 1482 CB ILE B 38 -4.732 -10.796 30.649 1.00 0.25 C ATOM 1483 CG1 ILE B 38 -6.071 -10.099 30.394 1.00 0.80 C ATOM 1484 CG2 ILE B 38 -3.841 -9.890 31.500 1.00 0.73 C ATOM 1485 CD1 ILE B 38 -6.818 -9.927 31.718 1.00 0.84 C ATOM 0 H ILE B 38 -5.434 -12.679 29.064 1.00 0.20 H new ATOM 0 HA ILE B 38 -3.776 -10.167 28.786 1.00 0.20 H new ATOM 0 HB ILE B 38 -4.904 -11.734 31.176 1.00 0.25 H new ATOM 0 HG12 ILE B 38 -5.904 -9.127 29.930 1.00 0.80 H new ATOM 0 HG13 ILE B 38 -6.672 -10.686 29.699 1.00 0.80 H new ATOM 0 HG21 ILE B 38 -4.332 -9.687 32.452 1.00 0.73 H new ATOM 0 HG22 ILE B 38 -2.887 -10.385 31.682 1.00 0.73 H new ATOM 0 HG23 ILE B 38 -3.668 -8.951 30.973 1.00 0.73 H new ATOM 0 HD11 ILE B 38 -7.771 -9.431 31.536 1.00 0.84 H new ATOM 0 HD12 ILE B 38 -6.997 -10.905 32.164 1.00 0.84 H new ATOM 0 HD13 ILE B 38 -6.218 -9.322 32.398 1.00 0.84 H new ATOM 1497 N TYR B 39 -1.639 -11.219 29.291 1.00 0.18 N ATOM 1498 CA TYR B 39 -0.313 -11.880 29.443 1.00 0.20 C ATOM 1499 C TYR B 39 0.524 -11.142 30.493 1.00 0.20 C ATOM 1500 O TYR B 39 0.347 -9.961 30.713 1.00 0.19 O ATOM 1501 CB TYR B 39 0.342 -11.732 28.072 1.00 0.23 C ATOM 1502 CG TYR B 39 -0.173 -12.781 27.125 1.00 0.28 C ATOM 1503 CD1 TYR B 39 -1.533 -12.830 26.801 1.00 0.31 C ATOM 1504 CD2 TYR B 39 0.718 -13.692 26.554 1.00 0.31 C ATOM 1505 CE1 TYR B 39 -2.001 -13.795 25.904 1.00 0.37 C ATOM 1506 CE2 TYR B 39 0.251 -14.659 25.660 1.00 0.36 C ATOM 1507 CZ TYR B 39 -1.109 -14.711 25.334 1.00 0.39 C ATOM 1508 OH TYR B 39 -1.569 -15.664 24.449 1.00 0.45 O ATOM 0 H TYR B 39 -1.596 -10.247 28.986 1.00 0.18 H new ATOM 0 HA TYR B 39 -0.399 -12.918 29.763 1.00 0.20 H new ATOM 0 HB2 TYR B 39 0.138 -10.740 27.670 1.00 0.23 H new ATOM 0 HB3 TYR B 39 1.424 -11.820 28.168 1.00 0.23 H new ATOM 0 HD1 TYR B 39 -2.220 -12.124 27.243 1.00 0.31 H new ATOM 0 HD2 TYR B 39 1.768 -13.649 26.803 1.00 0.31 H new ATOM 0 HE1 TYR B 39 -3.050 -13.834 25.651 1.00 0.37 H new ATOM 0 HE2 TYR B 39 0.939 -15.366 25.221 1.00 0.36 H new ATOM 0 HH TYR B 39 -0.820 -16.218 24.147 1.00 0.45 H new ATOM 1518 N VAL B 40 1.519 -11.784 31.039 1.00 0.21 N ATOM 1519 CA VAL B 40 2.453 -11.057 31.948 1.00 0.21 C ATOM 1520 C VAL B 40 3.908 -11.378 31.589 1.00 0.21 C ATOM 1521 O VAL B 40 4.299 -12.526 31.506 1.00 0.23 O ATOM 1522 CB VAL B 40 2.118 -11.562 33.349 1.00 0.24 C ATOM 1523 CG1 VAL B 40 3.140 -11.014 34.347 1.00 0.26 C ATOM 1524 CG2 VAL B 40 0.720 -11.077 33.739 1.00 0.26 C ATOM 0 H VAL B 40 1.726 -12.773 30.898 1.00 0.21 H new ATOM 0 HA VAL B 40 2.343 -9.975 31.870 1.00 0.21 H new ATOM 0 HB VAL B 40 2.146 -12.652 33.361 1.00 0.24 H new ATOM 0 HG11 VAL B 40 2.901 -11.374 35.348 1.00 0.26 H new ATOM 0 HG12 VAL B 40 4.138 -11.352 34.068 1.00 0.26 H new ATOM 0 HG13 VAL B 40 3.110 -9.924 34.337 1.00 0.26 H new ATOM 0 HG21 VAL B 40 0.476 -11.435 34.739 1.00 0.26 H new ATOM 0 HG22 VAL B 40 0.697 -9.987 33.728 1.00 0.26 H new ATOM 0 HG23 VAL B 40 -0.010 -11.462 33.028 1.00 0.26 H new ATOM 1534 N ASP B 41 4.714 -10.369 31.387 1.00 0.21 N ATOM 1535 CA ASP B 41 6.144 -10.617 31.044 1.00 0.21 C ATOM 1536 C ASP B 41 7.035 -9.506 31.612 1.00 0.24 C ATOM 1537 O ASP B 41 6.752 -8.336 31.466 1.00 0.26 O ATOM 1538 CB ASP B 41 6.190 -10.609 29.514 1.00 0.19 C ATOM 1539 CG ASP B 41 5.784 -9.228 28.996 1.00 1.00 C ATOM 1540 OD1 ASP B 41 5.185 -8.484 29.754 1.00 1.68 O ATOM 1541 OD2 ASP B 41 6.077 -8.939 27.847 1.00 1.77 O ATOM 0 H ASP B 41 4.444 -9.387 31.445 1.00 0.21 H new ATOM 0 HA ASP B 41 6.508 -11.556 31.462 1.00 0.21 H new ATOM 0 HB2 ASP B 41 7.194 -10.857 29.169 1.00 0.19 H new ATOM 0 HB3 ASP B 41 5.519 -11.370 29.116 1.00 0.19 H new ATOM 1546 N ASP B 42 8.165 -9.864 32.159 1.00 0.27 N ATOM 1547 CA ASP B 42 9.139 -8.828 32.618 1.00 0.32 C ATOM 1548 C ASP B 42 8.431 -7.691 33.367 1.00 0.32 C ATOM 1549 O ASP B 42 8.729 -6.530 33.167 1.00 0.37 O ATOM 1550 CB ASP B 42 9.779 -8.305 31.333 1.00 0.37 C ATOM 1551 CG ASP B 42 10.769 -7.190 31.671 1.00 0.45 C ATOM 1552 OD1 ASP B 42 11.002 -6.968 32.848 1.00 1.21 O ATOM 1553 OD2 ASP B 42 11.276 -6.575 30.746 1.00 1.14 O ATOM 0 H ASP B 42 8.458 -10.830 32.309 1.00 0.27 H new ATOM 0 HA ASP B 42 9.871 -9.239 33.314 1.00 0.32 H new ATOM 0 HB2 ASP B 42 10.291 -9.115 30.814 1.00 0.37 H new ATOM 0 HB3 ASP B 42 9.010 -7.930 30.658 1.00 0.37 H new ATOM 1558 N GLU B 43 7.563 -8.017 34.289 1.00 0.29 N ATOM 1559 CA GLU B 43 6.917 -6.954 35.122 1.00 0.30 C ATOM 1560 C GLU B 43 6.120 -5.988 34.241 1.00 0.29 C ATOM 1561 O GLU B 43 5.629 -4.976 34.699 1.00 0.30 O ATOM 1562 CB GLU B 43 8.075 -6.228 35.809 1.00 0.34 C ATOM 1563 CG GLU B 43 7.524 -5.251 36.849 1.00 1.17 C ATOM 1564 CD GLU B 43 8.677 -4.457 37.466 1.00 1.34 C ATOM 1565 OE1 GLU B 43 9.805 -4.670 37.052 1.00 1.92 O ATOM 1566 OE2 GLU B 43 8.412 -3.650 38.341 1.00 1.68 O ATOM 0 H GLU B 43 7.273 -8.971 34.503 1.00 0.29 H new ATOM 0 HA GLU B 43 6.213 -7.371 35.842 1.00 0.30 H new ATOM 0 HB2 GLU B 43 8.737 -6.950 36.288 1.00 0.34 H new ATOM 0 HB3 GLU B 43 8.670 -5.691 35.070 1.00 0.34 H new ATOM 0 HG2 GLU B 43 6.810 -4.572 36.383 1.00 1.17 H new ATOM 0 HG3 GLU B 43 6.987 -5.795 37.626 1.00 1.17 H new ATOM 1573 N LYS B 44 5.917 -6.335 33.002 1.00 0.29 N ATOM 1574 CA LYS B 44 5.069 -5.486 32.118 1.00 0.30 C ATOM 1575 C LYS B 44 3.788 -6.239 31.755 1.00 0.27 C ATOM 1576 O LYS B 44 3.760 -7.452 31.725 1.00 0.26 O ATOM 1577 CB LYS B 44 5.916 -5.233 30.869 1.00 0.34 C ATOM 1578 CG LYS B 44 7.196 -4.492 31.260 1.00 1.29 C ATOM 1579 CD LYS B 44 7.926 -4.035 29.996 1.00 1.23 C ATOM 1580 CE LYS B 44 8.386 -5.259 29.201 1.00 1.90 C ATOM 1581 NZ LYS B 44 9.619 -4.816 28.492 1.00 2.00 N ATOM 0 H LYS B 44 6.302 -7.171 32.562 1.00 0.29 H new ATOM 0 HA LYS B 44 4.772 -4.553 32.597 1.00 0.30 H new ATOM 0 HB2 LYS B 44 6.164 -6.179 30.387 1.00 0.34 H new ATOM 0 HB3 LYS B 44 5.350 -4.646 30.146 1.00 0.34 H new ATOM 0 HG2 LYS B 44 6.955 -3.632 31.885 1.00 1.29 H new ATOM 0 HG3 LYS B 44 7.841 -5.144 31.850 1.00 1.29 H new ATOM 0 HD2 LYS B 44 7.267 -3.418 29.385 1.00 1.23 H new ATOM 0 HD3 LYS B 44 8.784 -3.417 30.262 1.00 1.23 H new ATOM 0 HE2 LYS B 44 8.591 -6.103 29.859 1.00 1.90 H new ATOM 0 HE3 LYS B 44 7.620 -5.583 28.496 1.00 1.90 H new ATOM 0 HZ1 LYS B 44 9.995 -5.602 27.924 1.00 2.00 H new ATOM 0 HZ2 LYS B 44 9.392 -4.016 27.868 1.00 2.00 H new ATOM 0 HZ3 LYS B 44 10.333 -4.520 29.188 1.00 2.00 H new ATOM 1595 N ILE B 45 2.727 -5.533 31.491 1.00 0.28 N ATOM 1596 CA ILE B 45 1.450 -6.217 31.146 1.00 0.26 C ATOM 1597 C ILE B 45 1.306 -6.327 29.627 1.00 0.26 C ATOM 1598 O ILE B 45 1.447 -5.356 28.911 1.00 0.29 O ATOM 1599 CB ILE B 45 0.356 -5.322 31.725 1.00 0.29 C ATOM 1600 CG1 ILE B 45 0.606 -5.120 33.221 1.00 0.33 C ATOM 1601 CG2 ILE B 45 -1.008 -5.982 31.520 1.00 0.28 C ATOM 1602 CD1 ILE B 45 -0.312 -4.017 33.747 1.00 1.24 C ATOM 0 H ILE B 45 2.687 -4.514 31.499 1.00 0.28 H new ATOM 0 HA ILE B 45 1.401 -7.231 31.544 1.00 0.26 H new ATOM 0 HB ILE B 45 0.370 -4.357 31.219 1.00 0.29 H new ATOM 0 HG12 ILE B 45 0.421 -6.049 33.760 1.00 0.33 H new ATOM 0 HG13 ILE B 45 1.649 -4.853 33.394 1.00 0.33 H new ATOM 0 HG21 ILE B 45 -1.788 -5.342 31.934 1.00 0.28 H new ATOM 0 HG22 ILE B 45 -1.185 -6.127 30.454 1.00 0.28 H new ATOM 0 HG23 ILE B 45 -1.025 -6.947 32.026 1.00 0.28 H new ATOM 0 HD11 ILE B 45 -0.134 -3.873 34.813 1.00 1.24 H new ATOM 0 HD12 ILE B 45 -0.106 -3.088 33.216 1.00 1.24 H new ATOM 0 HD13 ILE B 45 -1.352 -4.303 33.588 1.00 1.24 H new ATOM 1614 N ILE B 46 1.019 -7.501 29.137 1.00 0.26 N ATOM 1615 CA ILE B 46 0.854 -7.684 27.666 1.00 0.29 C ATOM 1616 C ILE B 46 -0.594 -8.070 27.346 1.00 0.28 C ATOM 1617 O ILE B 46 -1.098 -9.066 27.821 1.00 0.31 O ATOM 1618 CB ILE B 46 1.811 -8.825 27.308 1.00 0.32 C ATOM 1619 CG1 ILE B 46 3.239 -8.435 27.692 1.00 0.44 C ATOM 1620 CG2 ILE B 46 1.744 -9.111 25.806 1.00 0.37 C ATOM 1621 CD1 ILE B 46 3.552 -7.044 27.147 1.00 0.50 C ATOM 0 H ILE B 46 0.891 -8.346 29.694 1.00 0.26 H new ATOM 0 HA ILE B 46 1.071 -6.777 27.102 1.00 0.29 H new ATOM 0 HB ILE B 46 1.519 -9.721 27.855 1.00 0.32 H new ATOM 0 HG12 ILE B 46 3.351 -8.446 28.776 1.00 0.44 H new ATOM 0 HG13 ILE B 46 3.946 -9.162 27.291 1.00 0.44 H new ATOM 0 HG21 ILE B 46 2.427 -9.924 25.560 1.00 0.37 H new ATOM 0 HG22 ILE B 46 0.728 -9.397 25.535 1.00 0.37 H new ATOM 0 HG23 ILE B 46 2.029 -8.217 25.252 1.00 0.37 H new ATOM 0 HD11 ILE B 46 4.570 -6.766 27.421 1.00 0.50 H new ATOM 0 HD12 ILE B 46 3.457 -7.049 26.061 1.00 0.50 H new ATOM 0 HD13 ILE B 46 2.853 -6.322 27.569 1.00 0.50 H new ATOM 1633 N LEU B 47 -1.270 -7.290 26.549 1.00 0.28 N ATOM 1634 CA LEU B 47 -2.686 -7.624 26.210 1.00 0.29 C ATOM 1635 C LEU B 47 -2.828 -7.861 24.706 1.00 0.31 C ATOM 1636 O LEU B 47 -2.297 -7.125 23.900 1.00 0.38 O ATOM 1637 CB LEU B 47 -3.502 -6.405 26.638 1.00 0.34 C ATOM 1638 CG LEU B 47 -3.289 -6.142 28.129 1.00 0.90 C ATOM 1639 CD1 LEU B 47 -1.951 -5.432 28.338 1.00 1.66 C ATOM 1640 CD2 LEU B 47 -4.422 -5.257 28.656 1.00 1.23 C ATOM 0 H LEU B 47 -0.907 -6.439 26.118 1.00 0.28 H new ATOM 0 HA LEU B 47 -3.023 -8.532 26.710 1.00 0.29 H new ATOM 0 HB2 LEU B 47 -3.202 -5.532 26.058 1.00 0.34 H new ATOM 0 HB3 LEU B 47 -4.560 -6.574 26.436 1.00 0.34 H new ATOM 0 HG LEU B 47 -3.284 -7.090 28.667 1.00 0.90 H new ATOM 0 HD11 LEU B 47 -1.800 -5.245 29.401 1.00 1.66 H new ATOM 0 HD12 LEU B 47 -1.143 -6.060 27.962 1.00 1.66 H new ATOM 0 HD13 LEU B 47 -1.954 -4.484 27.800 1.00 1.66 H new ATOM 0 HD21 LEU B 47 -4.272 -5.068 29.719 1.00 1.23 H new ATOM 0 HD22 LEU B 47 -4.425 -4.310 28.116 1.00 1.23 H new ATOM 0 HD23 LEU B 47 -5.377 -5.762 28.508 1.00 1.23 H new ATOM 1652 N LYS B 48 -3.536 -8.887 24.324 1.00 0.28 N ATOM 1653 CA LYS B 48 -3.706 -9.176 22.871 1.00 0.34 C ATOM 1654 C LYS B 48 -5.122 -9.687 22.592 1.00 0.27 C ATOM 1655 O LYS B 48 -5.780 -10.220 23.462 1.00 0.24 O ATOM 1656 CB LYS B 48 -2.673 -10.260 22.562 1.00 0.47 C ATOM 1657 CG LYS B 48 -2.937 -11.487 23.439 1.00 0.65 C ATOM 1658 CD LYS B 48 -1.900 -12.568 23.130 1.00 0.85 C ATOM 1659 CE LYS B 48 -0.537 -12.140 23.679 1.00 1.54 C ATOM 1660 NZ LYS B 48 0.452 -12.634 22.681 1.00 1.74 N ATOM 0 H LYS B 48 -4.004 -9.538 24.954 1.00 0.28 H new ATOM 0 HA LYS B 48 -3.565 -8.289 22.254 1.00 0.34 H new ATOM 0 HB2 LYS B 48 -2.724 -10.536 21.509 1.00 0.47 H new ATOM 0 HB3 LYS B 48 -1.667 -9.880 22.743 1.00 0.47 H new ATOM 0 HG2 LYS B 48 -2.888 -11.212 24.492 1.00 0.65 H new ATOM 0 HG3 LYS B 48 -3.941 -11.869 23.256 1.00 0.65 H new ATOM 0 HD2 LYS B 48 -2.203 -13.515 23.576 1.00 0.85 H new ATOM 0 HD3 LYS B 48 -1.836 -12.729 22.054 1.00 0.85 H new ATOM 0 HE2 LYS B 48 -0.478 -11.057 23.790 1.00 1.54 H new ATOM 0 HE3 LYS B 48 -0.354 -12.572 24.663 1.00 1.54 H new ATOM 0 HZ1 LYS B 48 1.412 -12.378 22.988 1.00 1.74 H new ATOM 0 HZ2 LYS B 48 0.378 -13.668 22.601 1.00 1.74 H new ATOM 0 HZ3 LYS B 48 0.258 -12.201 21.756 1.00 1.74 H new ATOM 1674 N LYS B 49 -5.576 -9.579 21.373 1.00 0.28 N ATOM 1675 CA LYS B 49 -6.924 -10.120 21.037 1.00 0.25 C ATOM 1676 C LYS B 49 -6.983 -11.612 21.362 1.00 0.22 C ATOM 1677 O LYS B 49 -5.985 -12.305 21.316 1.00 0.24 O ATOM 1678 CB LYS B 49 -7.089 -9.892 19.536 1.00 0.28 C ATOM 1679 CG LYS B 49 -8.493 -10.323 19.106 1.00 0.30 C ATOM 1680 CD LYS B 49 -8.639 -10.154 17.592 1.00 0.54 C ATOM 1681 CE LYS B 49 -10.088 -10.428 17.185 1.00 1.08 C ATOM 1682 NZ LYS B 49 -9.997 -11.429 16.087 1.00 1.65 N ATOM 0 H LYS B 49 -5.075 -9.142 20.599 1.00 0.28 H new ATOM 0 HA LYS B 49 -7.716 -9.635 21.607 1.00 0.25 H new ATOM 0 HB2 LYS B 49 -6.931 -8.840 19.298 1.00 0.28 H new ATOM 0 HB3 LYS B 49 -6.338 -10.460 18.986 1.00 0.28 H new ATOM 0 HG2 LYS B 49 -8.667 -11.362 19.385 1.00 0.30 H new ATOM 0 HG3 LYS B 49 -9.243 -9.724 19.623 1.00 0.30 H new ATOM 0 HD2 LYS B 49 -8.353 -9.144 17.299 1.00 0.54 H new ATOM 0 HD3 LYS B 49 -7.969 -10.839 17.073 1.00 0.54 H new ATOM 0 HE2 LYS B 49 -10.667 -10.814 18.024 1.00 1.08 H new ATOM 0 HE3 LYS B 49 -10.582 -9.517 16.848 1.00 1.08 H new ATOM 0 HZ1 LYS B 49 -10.953 -11.668 15.755 1.00 1.65 H new ATOM 0 HZ2 LYS B 49 -9.446 -11.032 15.300 1.00 1.65 H new ATOM 0 HZ3 LYS B 49 -9.528 -12.288 16.439 1.00 1.65 H new ATOM 1696 N TYR B 50 -8.121 -12.091 21.774 1.00 0.20 N ATOM 1697 CA TYR B 50 -8.213 -13.516 22.199 1.00 0.22 C ATOM 1698 C TYR B 50 -8.885 -14.362 21.114 1.00 0.25 C ATOM 1699 O TYR B 50 -10.059 -14.218 20.840 1.00 0.20 O ATOM 1700 CB TYR B 50 -9.071 -13.491 23.462 1.00 0.22 C ATOM 1701 CG TYR B 50 -9.257 -14.899 23.971 1.00 0.30 C ATOM 1702 CD1 TYR B 50 -8.173 -15.784 23.991 1.00 0.38 C ATOM 1703 CD2 TYR B 50 -10.513 -15.320 24.421 1.00 0.41 C ATOM 1704 CE1 TYR B 50 -8.346 -17.091 24.460 1.00 0.48 C ATOM 1705 CE2 TYR B 50 -10.687 -16.626 24.890 1.00 0.52 C ATOM 1706 CZ TYR B 50 -9.604 -17.512 24.911 1.00 0.53 C ATOM 1707 OH TYR B 50 -9.775 -18.800 25.374 1.00 0.65 O ATOM 0 H TYR B 50 -8.990 -11.561 21.835 1.00 0.20 H new ATOM 0 HA TYR B 50 -7.231 -13.956 22.373 1.00 0.22 H new ATOM 0 HB2 TYR B 50 -8.595 -12.877 24.226 1.00 0.22 H new ATOM 0 HB3 TYR B 50 -10.040 -13.039 23.248 1.00 0.22 H new ATOM 0 HD1 TYR B 50 -7.203 -15.458 23.645 1.00 0.38 H new ATOM 0 HD2 TYR B 50 -11.349 -14.636 24.406 1.00 0.41 H new ATOM 0 HE1 TYR B 50 -7.510 -17.775 24.474 1.00 0.48 H new ATOM 0 HE2 TYR B 50 -11.657 -16.951 25.236 1.00 0.52 H new ATOM 0 HH TYR B 50 -10.707 -18.928 25.649 1.00 0.65 H new ATOM 1717 N LYS B 51 -8.168 -15.296 20.552 1.00 0.38 N ATOM 1718 CA LYS B 51 -8.787 -16.207 19.546 1.00 0.44 C ATOM 1719 C LYS B 51 -8.896 -17.625 20.116 1.00 1.25 C ATOM 1720 O LYS B 51 -7.903 -18.308 20.275 1.00 2.08 O ATOM 1721 CB LYS B 51 -7.835 -16.181 18.350 1.00 1.27 C ATOM 1722 CG LYS B 51 -6.444 -16.638 18.794 1.00 2.06 C ATOM 1723 CD LYS B 51 -6.063 -17.915 18.042 1.00 2.71 C ATOM 1724 CE LYS B 51 -4.570 -18.194 18.232 1.00 3.57 C ATOM 1725 NZ LYS B 51 -4.342 -19.520 17.595 1.00 4.35 N ATOM 0 H LYS B 51 -7.181 -15.468 20.745 1.00 0.38 H new ATOM 0 HA LYS B 51 -9.795 -15.896 19.271 1.00 0.44 H new ATOM 0 HB2 LYS B 51 -8.209 -16.833 17.560 1.00 1.27 H new ATOM 0 HB3 LYS B 51 -7.783 -15.175 17.935 1.00 1.27 H new ATOM 0 HG2 LYS B 51 -5.712 -15.855 18.597 1.00 2.06 H new ATOM 0 HG3 LYS B 51 -6.435 -16.820 19.869 1.00 2.06 H new ATOM 0 HD2 LYS B 51 -6.651 -18.756 18.411 1.00 2.71 H new ATOM 0 HD3 LYS B 51 -6.291 -17.807 16.982 1.00 2.71 H new ATOM 0 HE2 LYS B 51 -3.961 -17.421 17.763 1.00 3.57 H new ATOM 0 HE3 LYS B 51 -4.303 -18.213 19.289 1.00 3.57 H new ATOM 0 HZ1 LYS B 51 -3.339 -19.780 17.685 1.00 4.35 H new ATOM 0 HZ2 LYS B 51 -4.929 -20.237 18.066 1.00 4.35 H new ATOM 0 HZ3 LYS B 51 -4.598 -19.470 16.588 1.00 4.35 H new ATOM 1739 N PRO B 52 -10.106 -18.017 20.408 1.00 1.79 N ATOM 1740 CA PRO B 52 -10.352 -19.367 20.972 1.00 2.79 C ATOM 1741 C PRO B 52 -9.773 -20.443 20.049 1.00 2.90 C ATOM 1742 O PRO B 52 -9.782 -20.309 18.841 1.00 3.05 O ATOM 1743 CB PRO B 52 -11.876 -19.470 21.038 1.00 3.58 C ATOM 1744 CG PRO B 52 -12.377 -18.062 20.975 1.00 3.28 C ATOM 1745 CD PRO B 52 -11.342 -17.249 20.242 1.00 2.28 C ATOM 0 HA PRO B 52 -9.883 -19.512 21.945 1.00 2.79 H new ATOM 0 HB2 PRO B 52 -12.265 -20.062 20.210 1.00 3.58 H new ATOM 0 HB3 PRO B 52 -12.196 -19.959 21.958 1.00 3.58 H new ATOM 0 HG2 PRO B 52 -13.336 -18.018 20.459 1.00 3.28 H new ATOM 0 HG3 PRO B 52 -12.537 -17.666 21.978 1.00 3.28 H new ATOM 0 HD2 PRO B 52 -11.600 -17.130 19.190 1.00 2.28 H new ATOM 0 HD3 PRO B 52 -11.249 -16.248 20.663 1.00 2.28 H new ATOM 1753 N ASN B 53 -9.268 -21.509 20.608 1.00 3.43 N ATOM 1754 CA ASN B 53 -8.687 -22.590 19.762 1.00 4.01 C ATOM 1755 C ASN B 53 -9.404 -23.916 20.032 1.00 4.61 C ATOM 1756 O ASN B 53 -8.731 -24.868 20.393 1.00 5.09 O ATOM 1757 CB ASN B 53 -7.220 -22.677 20.183 1.00 4.59 C ATOM 1758 CG ASN B 53 -6.431 -23.455 19.128 1.00 5.20 C ATOM 1759 OD1 ASN B 53 -6.988 -23.915 18.152 1.00 5.34 O ATOM 1760 ND2 ASN B 53 -5.146 -23.623 19.284 1.00 5.97 N ATOM 1761 OXT ASN B 53 -10.613 -23.956 19.875 1.00 4.97 O ATOM 0 H ASN B 53 -9.233 -21.678 21.613 1.00 3.43 H new ATOM 0 HA ASN B 53 -8.793 -22.384 18.697 1.00 4.01 H new ATOM 0 HB2 ASN B 53 -6.804 -21.676 20.299 1.00 4.59 H new ATOM 0 HB3 ASN B 53 -7.137 -23.170 21.151 1.00 4.59 H new ATOM 0 HD21 ASN B 53 -4.611 -24.140 18.586 1.00 5.97 H new ATOM 0 HD22 ASN B 53 -4.677 -23.237 20.103 1.00 5.97 H new TER 1768 ASN B 53