USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 437 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 Set 1.1: A 29 GLN : amide:sc= 1.05 K(o=2.3,f=-3.7) USER MOD Set 1.2: A 48 LYS NZ :NH3+ 170:sc= 1.25 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 0.0924 (180deg=0.0706) USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= 1.73 (180deg=1.44) USER MOD Single : A 31 GLN : amide:sc= -0.252 K(o=-0.25,f=-0.84) USER MOD Single : A 33 ASN : amide:sc= 0.963 K(o=0.96,f=-0.012) USER MOD Single : A 40 GLN : amide:sc=-0.00573 K(o=-0.0057,f=-0.94) USER MOD Single : A 41 MET CE :methyl 158:sc= -0.207 (180deg=-0.805) USER MOD Single : A 42 HIS : no HD1:sc= -0.0534 X(o=-0.053,f=0.0035) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.292 F(o=-1.6!,f=-0.29) USER MOD Single : A 47 ASN :FLIP amide:sc= 0 F(o=-3.3!,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0976 USER MOD Single : A 53 LYS NZ :NH3+ 173:sc= 0.571 (180deg=0.441) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -30:sc= -2.18! USER MOD Single : A 59 THR OG1 : rot -160:sc= 0.269 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0474) USER MOD Single : A 74 THR OG1 : rot 70:sc= 0.777 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 20 -0.061 0.008 -2.097 1.00 12.12 N ATOM 26 CA ASP A 20 -1.174 0.860 -2.526 1.00 44.51 C ATOM 27 C ASP A 20 -0.943 2.315 -2.135 1.00 45.31 C ATOM 28 O ASP A 20 -1.397 2.778 -1.088 1.00 50.31 O ATOM 29 CB ASP A 20 -2.513 0.359 -1.962 1.00 1.32 C ATOM 30 CG ASP A 20 -3.698 1.201 -2.409 1.00 21.23 C ATOM 31 OD1 ASP A 20 -4.194 0.991 -3.539 1.00 53.43 O ATOM 32 OD2 ASP A 20 -4.154 2.062 -1.625 1.00 73.45 O ATOM 0 HA ASP A 20 -1.221 0.804 -3.614 1.00 44.51 H new ATOM 0 HB2 ASP A 20 -2.669 -0.673 -2.275 1.00 1.32 H new ATOM 0 HB3 ASP A 20 -2.465 0.358 -0.873 1.00 1.32 H new ATOM 37 N LYS A 21 -0.193 3.019 -2.961 1.00 55.21 N ATOM 38 CA LYS A 21 0.024 4.441 -2.772 1.00 14.10 C ATOM 39 C LYS A 21 -0.355 5.189 -4.044 1.00 63.24 C ATOM 40 O LYS A 21 0.245 4.978 -5.098 1.00 1.40 O ATOM 41 CB LYS A 21 1.483 4.724 -2.391 1.00 3.41 C ATOM 42 CG LYS A 21 1.866 4.227 -1.000 1.00 63.30 C ATOM 43 CD LYS A 21 1.076 4.950 0.083 1.00 50.31 C ATOM 44 CE LYS A 21 1.337 4.374 1.469 1.00 61.33 C ATOM 45 NZ LYS A 21 2.741 4.579 1.920 1.00 72.45 N ATOM 0 H LYS A 21 0.279 2.626 -3.775 1.00 55.21 H new ATOM 0 HA LYS A 21 -0.607 4.789 -1.954 1.00 14.10 H new ATOM 0 HB2 LYS A 21 2.138 4.256 -3.126 1.00 3.41 H new ATOM 0 HB3 LYS A 21 1.660 5.798 -2.444 1.00 3.41 H new ATOM 0 HG2 LYS A 21 1.683 3.155 -0.932 1.00 63.30 H new ATOM 0 HG3 LYS A 21 2.933 4.380 -0.838 1.00 63.30 H new ATOM 0 HD2 LYS A 21 1.338 6.008 0.076 1.00 50.31 H new ATOM 0 HD3 LYS A 21 0.011 4.884 -0.141 1.00 50.31 H new ATOM 0 HE2 LYS A 21 0.658 4.838 2.185 1.00 61.33 H new ATOM 0 HE3 LYS A 21 1.114 3.307 1.463 1.00 61.33 H new ATOM 0 HZ1 LYS A 21 2.892 4.082 2.821 1.00 72.45 H new ATOM 0 HZ2 LYS A 21 3.394 4.203 1.203 1.00 72.45 H new ATOM 0 HZ3 LYS A 21 2.919 5.595 2.052 1.00 72.45 H new ATOM 59 N ASP A 22 -1.372 6.039 -3.936 1.00 34.23 N ATOM 60 CA ASP A 22 -1.873 6.803 -5.077 1.00 42.15 C ATOM 61 C ASP A 22 -0.816 7.794 -5.554 1.00 43.32 C ATOM 62 O ASP A 22 -0.560 8.806 -4.901 1.00 75.12 O ATOM 63 CB ASP A 22 -3.159 7.542 -4.679 1.00 11.01 C ATOM 64 CG ASP A 22 -3.859 8.211 -5.850 1.00 71.22 C ATOM 65 OD1 ASP A 22 -4.683 7.546 -6.512 1.00 45.53 O ATOM 66 OD2 ASP A 22 -3.612 9.410 -6.096 1.00 3.01 O ATOM 0 H ASP A 22 -1.869 6.218 -3.064 1.00 34.23 H new ATOM 0 HA ASP A 22 -2.096 6.118 -5.895 1.00 42.15 H new ATOM 0 HB2 ASP A 22 -3.845 6.836 -4.211 1.00 11.01 H new ATOM 0 HB3 ASP A 22 -2.918 8.297 -3.930 1.00 11.01 H new ATOM 71 N LEU A 23 -0.188 7.483 -6.684 1.00 54.33 N ATOM 72 CA LEU A 23 0.867 8.328 -7.231 1.00 34.15 C ATOM 73 C LEU A 23 0.339 9.157 -8.396 1.00 63.34 C ATOM 74 O LEU A 23 0.303 10.386 -8.340 1.00 51.33 O ATOM 75 CB LEU A 23 2.048 7.471 -7.715 1.00 62.31 C ATOM 76 CG LEU A 23 3.295 8.255 -8.142 1.00 75.41 C ATOM 77 CD1 LEU A 23 3.888 9.011 -6.960 1.00 24.52 C ATOM 78 CD2 LEU A 23 4.329 7.321 -8.756 1.00 43.24 C ATOM 0 H LEU A 23 -0.392 6.652 -7.239 1.00 54.33 H new ATOM 0 HA LEU A 23 1.206 8.995 -6.439 1.00 34.15 H new ATOM 0 HB2 LEU A 23 2.327 6.783 -6.917 1.00 62.31 H new ATOM 0 HB3 LEU A 23 1.714 6.864 -8.557 1.00 62.31 H new ATOM 0 HG LEU A 23 2.999 8.983 -8.897 1.00 75.41 H new ATOM 0 HD11 LEU A 23 4.772 9.560 -7.286 1.00 24.52 H new ATOM 0 HD12 LEU A 23 3.150 9.711 -6.568 1.00 24.52 H new ATOM 0 HD13 LEU A 23 4.168 8.304 -6.179 1.00 24.52 H new ATOM 0 HD21 LEU A 23 5.207 7.895 -9.053 1.00 43.24 H new ATOM 0 HD22 LEU A 23 4.619 6.567 -8.024 1.00 43.24 H new ATOM 0 HD23 LEU A 23 3.903 6.831 -9.631 1.00 43.24 H new ATOM 90 N LEU A 24 -0.106 8.471 -9.437 1.00 45.12 N ATOM 91 CA LEU A 24 -0.539 9.125 -10.661 1.00 5.04 C ATOM 92 C LEU A 24 -2.040 8.946 -10.843 1.00 31.33 C ATOM 93 O LEU A 24 -2.650 8.106 -10.186 1.00 15.34 O ATOM 94 CB LEU A 24 0.222 8.542 -11.853 1.00 41.14 C ATOM 95 CG LEU A 24 1.746 8.645 -11.758 1.00 54.12 C ATOM 96 CD1 LEU A 24 2.399 7.736 -12.778 1.00 21.34 C ATOM 97 CD2 LEU A 24 2.205 10.083 -11.962 1.00 23.22 C ATOM 0 H LEU A 24 -0.177 7.454 -9.458 1.00 45.12 H new ATOM 0 HA LEU A 24 -0.325 10.192 -10.597 1.00 5.04 H new ATOM 0 HB2 LEU A 24 -0.050 7.492 -11.961 1.00 41.14 H new ATOM 0 HB3 LEU A 24 -0.106 9.051 -12.759 1.00 41.14 H new ATOM 0 HG LEU A 24 2.048 8.328 -10.760 1.00 54.12 H new ATOM 0 HD11 LEU A 24 3.483 7.820 -12.699 1.00 21.34 H new ATOM 0 HD12 LEU A 24 2.100 6.705 -12.591 1.00 21.34 H new ATOM 0 HD13 LEU A 24 2.085 8.028 -13.780 1.00 21.34 H new ATOM 0 HD21 LEU A 24 3.292 10.132 -11.890 1.00 23.22 H new ATOM 0 HD22 LEU A 24 1.891 10.429 -12.947 1.00 23.22 H new ATOM 0 HD23 LEU A 24 1.762 10.719 -11.195 1.00 23.22 H new ATOM 109 N LYS A 25 -2.637 9.750 -11.712 1.00 13.52 N ATOM 110 CA LYS A 25 -4.077 9.694 -11.926 1.00 73.51 C ATOM 111 C LYS A 25 -4.399 9.686 -13.420 1.00 62.31 C ATOM 112 O LYS A 25 -3.967 10.576 -14.160 1.00 32.24 O ATOM 113 CB LYS A 25 -4.788 10.882 -11.253 1.00 32.22 C ATOM 114 CG LYS A 25 -4.409 11.117 -9.791 1.00 64.54 C ATOM 115 CD LYS A 25 -3.192 12.026 -9.670 1.00 22.41 C ATOM 116 CE LYS A 25 -2.845 12.336 -8.219 1.00 33.15 C ATOM 117 NZ LYS A 25 -2.296 11.155 -7.498 1.00 11.14 N ATOM 0 H LYS A 25 -2.150 10.445 -12.278 1.00 13.52 H new ATOM 0 HA LYS A 25 -4.439 8.770 -11.475 1.00 73.51 H new ATOM 0 HB2 LYS A 25 -4.568 11.787 -11.820 1.00 32.22 H new ATOM 0 HB3 LYS A 25 -5.865 10.723 -11.313 1.00 32.22 H new ATOM 0 HG2 LYS A 25 -5.252 11.563 -9.263 1.00 64.54 H new ATOM 0 HG3 LYS A 25 -4.200 10.161 -9.310 1.00 64.54 H new ATOM 0 HD2 LYS A 25 -2.337 11.552 -10.152 1.00 22.41 H new ATOM 0 HD3 LYS A 25 -3.382 12.958 -10.203 1.00 22.41 H new ATOM 0 HE2 LYS A 25 -2.117 13.147 -8.188 1.00 33.15 H new ATOM 0 HE3 LYS A 25 -3.738 12.690 -7.703 1.00 33.15 H new ATOM 0 HZ1 LYS A 25 -1.982 11.443 -6.549 1.00 11.14 H new ATOM 0 HZ2 LYS A 25 -3.033 10.427 -7.413 1.00 11.14 H new ATOM 0 HZ3 LYS A 25 -1.488 10.770 -8.028 1.00 11.14 H new ATOM 131 N GLY A 26 -5.147 8.673 -13.851 1.00 24.55 N ATOM 132 CA GLY A 26 -5.589 8.586 -15.233 1.00 23.04 C ATOM 133 C GLY A 26 -4.447 8.537 -16.228 1.00 62.31 C ATOM 134 O GLY A 26 -4.338 9.406 -17.098 1.00 64.12 O ATOM 0 H GLY A 26 -5.458 7.902 -13.260 1.00 24.55 H new ATOM 0 HA2 GLY A 26 -6.205 7.695 -15.354 1.00 23.04 H new ATOM 0 HA3 GLY A 26 -6.222 9.444 -15.459 1.00 23.04 H new ATOM 138 N LEU A 27 -3.599 7.528 -16.116 1.00 25.44 N ATOM 139 CA LEU A 27 -2.447 7.413 -16.996 1.00 41.52 C ATOM 140 C LEU A 27 -2.453 6.066 -17.717 1.00 31.22 C ATOM 141 O LEU A 27 -2.959 5.076 -17.189 1.00 53.13 O ATOM 142 CB LEU A 27 -1.156 7.578 -16.191 1.00 42.41 C ATOM 143 CG LEU A 27 0.090 7.884 -17.020 1.00 71.40 C ATOM 144 CD1 LEU A 27 -0.053 9.231 -17.711 1.00 1.13 C ATOM 145 CD2 LEU A 27 1.331 7.865 -16.145 1.00 35.04 C ATOM 0 H LEU A 27 -3.685 6.780 -15.428 1.00 25.44 H new ATOM 0 HA LEU A 27 -2.501 8.203 -17.745 1.00 41.52 H new ATOM 0 HB2 LEU A 27 -1.298 8.380 -15.467 1.00 42.41 H new ATOM 0 HB3 LEU A 27 -0.981 6.664 -15.624 1.00 42.41 H new ATOM 0 HG LEU A 27 0.196 7.112 -17.782 1.00 71.40 H new ATOM 0 HD11 LEU A 27 0.842 9.436 -18.298 1.00 1.13 H new ATOM 0 HD12 LEU A 27 -0.922 9.212 -18.369 1.00 1.13 H new ATOM 0 HD13 LEU A 27 -0.182 10.012 -16.962 1.00 1.13 H new ATOM 0 HD21 LEU A 27 2.208 8.085 -16.753 1.00 35.04 H new ATOM 0 HD22 LEU A 27 1.235 8.616 -15.361 1.00 35.04 H new ATOM 0 HD23 LEU A 27 1.442 6.880 -15.692 1.00 35.04 H new ATOM 157 N ASP A 28 -1.904 6.039 -18.927 1.00 54.45 N ATOM 158 CA ASP A 28 -1.814 4.806 -19.705 1.00 3.40 C ATOM 159 C ASP A 28 -0.576 4.016 -19.319 1.00 22.25 C ATOM 160 O ASP A 28 0.267 4.498 -18.565 1.00 24.15 O ATOM 161 CB ASP A 28 -1.773 5.105 -21.204 1.00 12.40 C ATOM 162 CG ASP A 28 -3.077 5.655 -21.728 1.00 54.10 C ATOM 163 OD1 ASP A 28 -3.993 4.858 -22.015 1.00 22.14 O ATOM 164 OD2 ASP A 28 -3.194 6.890 -21.861 1.00 72.22 O ATOM 0 H ASP A 28 -1.513 6.859 -19.392 1.00 54.45 H new ATOM 0 HA ASP A 28 -2.703 4.215 -19.485 1.00 3.40 H new ATOM 0 HB2 ASP A 28 -0.976 5.820 -21.405 1.00 12.40 H new ATOM 0 HB3 ASP A 28 -1.526 4.192 -21.745 1.00 12.40 H new ATOM 169 N GLN A 29 -0.447 2.817 -19.870 1.00 53.43 N ATOM 170 CA GLN A 29 0.656 1.934 -19.523 1.00 53.12 C ATOM 171 C GLN A 29 1.955 2.407 -20.165 1.00 32.25 C ATOM 172 O GLN A 29 3.007 2.403 -19.528 1.00 61.13 O ATOM 173 CB GLN A 29 0.345 0.496 -19.940 1.00 52.23 C ATOM 174 CG GLN A 29 1.451 -0.486 -19.596 1.00 60.54 C ATOM 175 CD GLN A 29 1.035 -1.925 -19.800 1.00 52.52 C ATOM 176 OE1 GLN A 29 0.518 -2.564 -18.884 1.00 61.55 O ATOM 177 NE2 GLN A 29 1.241 -2.441 -20.999 1.00 24.41 N ATOM 0 H GLN A 29 -1.094 2.434 -20.560 1.00 53.43 H new ATOM 0 HA GLN A 29 0.783 1.961 -18.441 1.00 53.12 H new ATOM 0 HB2 GLN A 29 -0.578 0.177 -19.455 1.00 52.23 H new ATOM 0 HB3 GLN A 29 0.166 0.468 -21.015 1.00 52.23 H new ATOM 0 HG2 GLN A 29 2.325 -0.274 -20.212 1.00 60.54 H new ATOM 0 HG3 GLN A 29 1.750 -0.342 -18.558 1.00 60.54 H new ATOM 0 HE21 GLN A 29 1.673 -1.876 -21.730 1.00 24.41 H new ATOM 0 HE22 GLN A 29 0.968 -3.404 -21.193 1.00 24.41 H new ATOM 186 N GLU A 30 1.875 2.827 -21.420 1.00 53.34 N ATOM 187 CA GLU A 30 3.044 3.331 -22.129 1.00 11.23 C ATOM 188 C GLU A 30 3.558 4.615 -21.485 1.00 45.12 C ATOM 189 O GLU A 30 4.751 4.909 -21.531 1.00 54.21 O ATOM 190 CB GLU A 30 2.744 3.562 -23.617 1.00 53.14 C ATOM 191 CG GLU A 30 1.344 4.085 -23.910 1.00 65.11 C ATOM 192 CD GLU A 30 0.315 2.974 -23.999 1.00 50.20 C ATOM 193 OE1 GLU A 30 0.120 2.431 -25.106 1.00 60.44 O ATOM 194 OE2 GLU A 30 -0.288 2.627 -22.964 1.00 3.53 O ATOM 0 H GLU A 30 1.015 2.829 -21.968 1.00 53.34 H new ATOM 0 HA GLU A 30 3.822 2.571 -22.058 1.00 11.23 H new ATOM 0 HB2 GLU A 30 3.472 4.269 -24.015 1.00 53.14 H new ATOM 0 HB3 GLU A 30 2.886 2.623 -24.152 1.00 53.14 H new ATOM 0 HG2 GLU A 30 1.051 4.786 -23.128 1.00 65.11 H new ATOM 0 HG3 GLU A 30 1.356 4.640 -24.848 1.00 65.11 H new ATOM 201 N GLN A 31 2.656 5.373 -20.878 1.00 21.45 N ATOM 202 CA GLN A 31 3.042 6.579 -20.160 1.00 0.55 C ATOM 203 C GLN A 31 3.579 6.224 -18.779 1.00 64.42 C ATOM 204 O GLN A 31 4.521 6.848 -18.288 1.00 44.41 O ATOM 205 CB GLN A 31 1.863 7.545 -20.040 1.00 55.43 C ATOM 206 CG GLN A 31 1.667 8.450 -21.250 1.00 53.30 C ATOM 207 CD GLN A 31 1.386 7.696 -22.535 1.00 34.34 C ATOM 208 OE1 GLN A 31 0.237 7.395 -22.850 1.00 70.33 O ATOM 209 NE2 GLN A 31 2.432 7.399 -23.290 1.00 30.04 N ATOM 0 H GLN A 31 1.655 5.175 -20.868 1.00 21.45 H new ATOM 0 HA GLN A 31 3.830 7.074 -20.727 1.00 0.55 H new ATOM 0 HB2 GLN A 31 0.951 6.969 -19.881 1.00 55.43 H new ATOM 0 HB3 GLN A 31 2.006 8.166 -19.156 1.00 55.43 H new ATOM 0 HG2 GLN A 31 0.841 9.133 -21.052 1.00 53.30 H new ATOM 0 HG3 GLN A 31 2.560 9.060 -21.385 1.00 53.30 H new ATOM 0 HE21 GLN A 31 3.369 7.668 -22.991 1.00 30.04 H new ATOM 0 HE22 GLN A 31 2.300 6.902 -24.171 1.00 30.04 H new ATOM 218 N ALA A 32 2.984 5.208 -18.162 1.00 64.42 N ATOM 219 CA ALA A 32 3.456 4.714 -16.875 1.00 75.14 C ATOM 220 C ALA A 32 4.869 4.162 -17.002 1.00 25.04 C ATOM 221 O ALA A 32 5.640 4.183 -16.046 1.00 11.43 O ATOM 222 CB ALA A 32 2.519 3.647 -16.329 1.00 13.23 C ATOM 0 H ALA A 32 2.174 4.711 -18.533 1.00 64.42 H new ATOM 0 HA ALA A 32 3.469 5.549 -16.175 1.00 75.14 H new ATOM 0 HB1 ALA A 32 2.891 3.293 -15.368 1.00 13.23 H new ATOM 0 HB2 ALA A 32 1.523 4.070 -16.199 1.00 13.23 H new ATOM 0 HB3 ALA A 32 2.470 2.813 -17.029 1.00 13.23 H new ATOM 228 N ASN A 33 5.193 3.670 -18.195 1.00 33.52 N ATOM 229 CA ASN A 33 6.534 3.176 -18.499 1.00 3.41 C ATOM 230 C ASN A 33 7.573 4.271 -18.287 1.00 64.43 C ATOM 231 O ASN A 33 8.641 4.028 -17.728 1.00 54.30 O ATOM 232 CB ASN A 33 6.598 2.672 -19.945 1.00 12.55 C ATOM 233 CG ASN A 33 7.993 2.228 -20.355 1.00 40.15 C ATOM 234 OD1 ASN A 33 8.371 1.077 -20.151 1.00 61.35 O ATOM 235 ND2 ASN A 33 8.762 3.131 -20.950 1.00 20.10 N ATOM 0 H ASN A 33 4.538 3.602 -18.974 1.00 33.52 H new ATOM 0 HA ASN A 33 6.755 2.350 -17.822 1.00 3.41 H new ATOM 0 HB2 ASN A 33 5.907 1.838 -20.065 1.00 12.55 H new ATOM 0 HB3 ASN A 33 6.262 3.463 -20.615 1.00 12.55 H new ATOM 0 HD21 ASN A 33 9.702 2.879 -21.255 1.00 20.10 H new ATOM 0 HD22 ASN A 33 8.413 4.077 -21.102 1.00 20.10 H new ATOM 242 N GLU A 34 7.241 5.480 -18.716 1.00 71.43 N ATOM 243 CA GLU A 34 8.150 6.612 -18.594 1.00 30.33 C ATOM 244 C GLU A 34 8.352 6.975 -17.129 1.00 23.32 C ATOM 245 O GLU A 34 9.436 7.390 -16.717 1.00 50.15 O ATOM 246 CB GLU A 34 7.599 7.814 -19.362 1.00 42.22 C ATOM 247 CG GLU A 34 7.320 7.520 -20.827 1.00 2.40 C ATOM 248 CD GLU A 34 8.542 7.008 -21.561 1.00 12.03 C ATOM 249 OE1 GLU A 34 9.389 7.834 -21.959 1.00 52.11 O ATOM 250 OE2 GLU A 34 8.655 5.779 -21.752 1.00 15.43 O ATOM 0 H GLU A 34 6.347 5.703 -19.153 1.00 71.43 H new ATOM 0 HA GLU A 34 9.114 6.332 -19.020 1.00 30.33 H new ATOM 0 HB2 GLU A 34 6.678 8.149 -18.885 1.00 42.22 H new ATOM 0 HB3 GLU A 34 8.311 8.637 -19.294 1.00 42.22 H new ATOM 0 HG2 GLU A 34 6.521 6.782 -20.900 1.00 2.40 H new ATOM 0 HG3 GLU A 34 6.962 8.427 -21.314 1.00 2.40 H new ATOM 257 N VAL A 35 7.303 6.797 -16.348 1.00 71.22 N ATOM 258 CA VAL A 35 7.347 7.086 -14.928 1.00 43.22 C ATOM 259 C VAL A 35 8.096 5.992 -14.169 1.00 64.03 C ATOM 260 O VAL A 35 9.011 6.283 -13.406 1.00 12.40 O ATOM 261 CB VAL A 35 5.927 7.252 -14.355 1.00 53.13 C ATOM 262 CG1 VAL A 35 5.960 7.359 -12.840 1.00 31.41 C ATOM 263 CG2 VAL A 35 5.259 8.478 -14.959 1.00 1.32 C ATOM 0 H VAL A 35 6.402 6.450 -16.678 1.00 71.22 H new ATOM 0 HA VAL A 35 7.884 8.026 -14.799 1.00 43.22 H new ATOM 0 HB VAL A 35 5.346 6.368 -14.618 1.00 53.13 H new ATOM 0 HG11 VAL A 35 4.945 7.475 -12.461 1.00 31.41 H new ATOM 0 HG12 VAL A 35 6.402 6.455 -12.421 1.00 31.41 H new ATOM 0 HG13 VAL A 35 6.557 8.223 -12.549 1.00 31.41 H new ATOM 0 HG21 VAL A 35 4.256 8.586 -14.547 1.00 1.32 H new ATOM 0 HG22 VAL A 35 5.846 9.366 -14.722 1.00 1.32 H new ATOM 0 HG23 VAL A 35 5.196 8.362 -16.041 1.00 1.32 H new ATOM 273 N ILE A 36 7.734 4.732 -14.402 1.00 51.32 N ATOM 274 CA ILE A 36 8.381 3.620 -13.710 1.00 15.15 C ATOM 275 C ILE A 36 9.865 3.567 -14.062 1.00 1.21 C ATOM 276 O ILE A 36 10.674 3.046 -13.299 1.00 45.51 O ATOM 277 CB ILE A 36 7.712 2.258 -14.031 1.00 13.43 C ATOM 278 CG1 ILE A 36 8.233 1.173 -13.082 1.00 71.24 C ATOM 279 CG2 ILE A 36 7.949 1.855 -15.479 1.00 52.20 C ATOM 280 CD1 ILE A 36 7.561 -0.171 -13.265 1.00 11.02 C ATOM 0 H ILE A 36 7.003 4.457 -15.058 1.00 51.32 H new ATOM 0 HA ILE A 36 8.266 3.798 -12.641 1.00 15.15 H new ATOM 0 HB ILE A 36 6.637 2.368 -13.885 1.00 13.43 H new ATOM 0 HG12 ILE A 36 9.306 1.056 -13.233 1.00 71.24 H new ATOM 0 HG13 ILE A 36 8.090 1.504 -12.053 1.00 71.24 H new ATOM 0 HG21 ILE A 36 7.468 0.896 -15.673 1.00 52.20 H new ATOM 0 HG22 ILE A 36 7.529 2.612 -16.141 1.00 52.20 H new ATOM 0 HG23 ILE A 36 9.020 1.767 -15.662 1.00 52.20 H new ATOM 0 HD11 ILE A 36 7.982 -0.887 -12.559 1.00 11.02 H new ATOM 0 HD12 ILE A 36 6.491 -0.070 -13.085 1.00 11.02 H new ATOM 0 HD13 ILE A 36 7.726 -0.525 -14.283 1.00 11.02 H new ATOM 292 N ALA A 37 10.214 4.135 -15.211 1.00 13.03 N ATOM 293 CA ALA A 37 11.599 4.198 -15.648 1.00 65.41 C ATOM 294 C ALA A 37 12.466 4.949 -14.641 1.00 31.23 C ATOM 295 O ALA A 37 13.567 4.509 -14.323 1.00 74.32 O ATOM 296 CB ALA A 37 11.696 4.853 -17.016 1.00 61.23 C ATOM 0 H ALA A 37 9.550 4.560 -15.858 1.00 13.03 H new ATOM 0 HA ALA A 37 11.972 3.176 -15.718 1.00 65.41 H new ATOM 0 HB1 ALA A 37 12.740 4.892 -17.328 1.00 61.23 H new ATOM 0 HB2 ALA A 37 11.123 4.272 -17.739 1.00 61.23 H new ATOM 0 HB3 ALA A 37 11.295 5.865 -16.964 1.00 61.23 H new ATOM 302 N VAL A 38 11.964 6.068 -14.119 1.00 13.13 N ATOM 303 CA VAL A 38 12.741 6.869 -13.176 1.00 4.42 C ATOM 304 C VAL A 38 12.835 6.159 -11.822 1.00 73.30 C ATOM 305 O VAL A 38 13.845 6.265 -11.123 1.00 54.23 O ATOM 306 CB VAL A 38 12.170 8.306 -13.005 1.00 35.11 C ATOM 307 CG1 VAL A 38 10.861 8.315 -12.233 1.00 3.14 C ATOM 308 CG2 VAL A 38 13.194 9.210 -12.333 1.00 24.31 C ATOM 0 H VAL A 38 11.036 6.436 -14.330 1.00 13.13 H new ATOM 0 HA VAL A 38 13.743 6.974 -13.593 1.00 4.42 H new ATOM 0 HB VAL A 38 11.958 8.691 -14.003 1.00 35.11 H new ATOM 0 HG11 VAL A 38 10.501 9.340 -12.139 1.00 3.14 H new ATOM 0 HG12 VAL A 38 10.121 7.718 -12.765 1.00 3.14 H new ATOM 0 HG13 VAL A 38 11.021 7.894 -11.240 1.00 3.14 H new ATOM 0 HG21 VAL A 38 12.778 10.211 -12.221 1.00 24.31 H new ATOM 0 HG22 VAL A 38 13.444 8.809 -11.351 1.00 24.31 H new ATOM 0 HG23 VAL A 38 14.095 9.258 -12.945 1.00 24.31 H new ATOM 318 N LEU A 39 11.796 5.407 -11.475 1.00 53.33 N ATOM 319 CA LEU A 39 11.801 4.628 -10.242 1.00 71.12 C ATOM 320 C LEU A 39 12.759 3.447 -10.364 1.00 51.23 C ATOM 321 O LEU A 39 13.668 3.278 -9.546 1.00 3.51 O ATOM 322 CB LEU A 39 10.395 4.110 -9.896 1.00 12.41 C ATOM 323 CG LEU A 39 9.421 5.128 -9.281 1.00 64.45 C ATOM 324 CD1 LEU A 39 10.067 5.862 -8.117 1.00 1.02 C ATOM 325 CD2 LEU A 39 8.915 6.111 -10.323 1.00 3.40 C ATOM 0 H LEU A 39 10.943 5.320 -12.027 1.00 53.33 H new ATOM 0 HA LEU A 39 12.133 5.288 -9.441 1.00 71.12 H new ATOM 0 HB2 LEU A 39 9.944 3.713 -10.806 1.00 12.41 H new ATOM 0 HB3 LEU A 39 10.500 3.276 -9.202 1.00 12.41 H new ATOM 0 HG LEU A 39 8.562 4.574 -8.902 1.00 64.45 H new ATOM 0 HD11 LEU A 39 9.358 6.577 -7.699 1.00 1.02 H new ATOM 0 HD12 LEU A 39 10.354 5.144 -7.349 1.00 1.02 H new ATOM 0 HD13 LEU A 39 10.952 6.392 -8.468 1.00 1.02 H new ATOM 0 HD21 LEU A 39 8.229 6.817 -9.855 1.00 3.40 H new ATOM 0 HD22 LEU A 39 9.758 6.654 -10.751 1.00 3.40 H new ATOM 0 HD23 LEU A 39 8.395 5.569 -11.113 1.00 3.40 H new ATOM 337 N GLN A 40 12.565 2.654 -11.409 1.00 3.21 N ATOM 338 CA GLN A 40 13.352 1.446 -11.629 1.00 11.31 C ATOM 339 C GLN A 40 14.823 1.793 -11.844 1.00 20.43 C ATOM 340 O GLN A 40 15.709 1.012 -11.500 1.00 60.20 O ATOM 341 CB GLN A 40 12.798 0.682 -12.835 1.00 51.35 C ATOM 342 CG GLN A 40 13.338 -0.733 -12.980 1.00 1.24 C ATOM 343 CD GLN A 40 12.638 -1.507 -14.084 1.00 0.54 C ATOM 344 OE1 GLN A 40 11.465 -1.271 -14.380 1.00 35.23 O ATOM 345 NE2 GLN A 40 13.344 -2.445 -14.693 1.00 54.01 N ATOM 0 H GLN A 40 11.861 2.828 -12.126 1.00 3.21 H new ATOM 0 HA GLN A 40 13.281 0.813 -10.745 1.00 11.31 H new ATOM 0 HB2 GLN A 40 11.712 0.638 -12.755 1.00 51.35 H new ATOM 0 HB3 GLN A 40 13.028 1.241 -13.742 1.00 51.35 H new ATOM 0 HG2 GLN A 40 14.407 -0.692 -13.190 1.00 1.24 H new ATOM 0 HG3 GLN A 40 13.219 -1.264 -12.035 1.00 1.24 H new ATOM 0 HE21 GLN A 40 14.313 -2.612 -14.421 1.00 54.01 H new ATOM 0 HE22 GLN A 40 12.920 -3.002 -15.435 1.00 54.01 H new ATOM 354 N MET A 41 15.072 2.978 -12.396 1.00 54.10 N ATOM 355 CA MET A 41 16.433 3.466 -12.615 1.00 31.51 C ATOM 356 C MET A 41 17.200 3.554 -11.298 1.00 21.21 C ATOM 357 O MET A 41 18.382 3.224 -11.235 1.00 32.11 O ATOM 358 CB MET A 41 16.404 4.843 -13.283 1.00 30.42 C ATOM 359 CG MET A 41 17.782 5.394 -13.612 1.00 11.12 C ATOM 360 SD MET A 41 18.647 4.412 -14.853 1.00 22.42 S ATOM 361 CE MET A 41 17.549 4.609 -16.256 1.00 14.40 C ATOM 0 H MET A 41 14.344 3.623 -12.702 1.00 54.10 H new ATOM 0 HA MET A 41 16.941 2.758 -13.269 1.00 31.51 H new ATOM 0 HB2 MET A 41 15.820 4.779 -14.201 1.00 30.42 H new ATOM 0 HB3 MET A 41 15.890 5.544 -12.626 1.00 30.42 H new ATOM 0 HG2 MET A 41 17.683 6.419 -13.970 1.00 11.12 H new ATOM 0 HG3 MET A 41 18.381 5.431 -12.702 1.00 11.12 H new ATOM 0 HE1 MET A 41 18.097 4.414 -17.177 1.00 14.40 H new ATOM 0 HE2 MET A 41 16.720 3.906 -16.171 1.00 14.40 H new ATOM 0 HE3 MET A 41 17.161 5.627 -16.274 1.00 14.40 H new ATOM 371 N HIS A 42 16.517 3.988 -10.245 1.00 54.13 N ATOM 372 CA HIS A 42 17.149 4.144 -8.940 1.00 34.25 C ATOM 373 C HIS A 42 16.996 2.876 -8.110 1.00 64.11 C ATOM 374 O HIS A 42 17.313 2.856 -6.919 1.00 25.23 O ATOM 375 CB HIS A 42 16.567 5.349 -8.198 1.00 4.24 C ATOM 376 CG HIS A 42 17.046 6.662 -8.739 1.00 70.45 C ATOM 377 ND1 HIS A 42 18.013 7.419 -8.119 1.00 4.12 N ATOM 378 CD2 HIS A 42 16.699 7.345 -9.857 1.00 62.33 C ATOM 379 CE1 HIS A 42 18.243 8.505 -8.829 1.00 53.40 C ATOM 380 NE2 HIS A 42 17.460 8.488 -9.891 1.00 71.10 N ATOM 0 H HIS A 42 15.528 4.238 -10.269 1.00 54.13 H new ATOM 0 HA HIS A 42 18.213 4.321 -9.097 1.00 34.25 H new ATOM 0 HB2 HIS A 42 15.479 5.314 -8.258 1.00 4.24 H new ATOM 0 HB3 HIS A 42 16.831 5.280 -7.143 1.00 4.24 H new ATOM 0 HD2 HIS A 42 15.961 7.046 -10.586 1.00 62.33 H new ATOM 0 HE1 HIS A 42 18.954 9.280 -8.583 1.00 53.40 H new ATOM 0 HE2 HIS A 42 17.426 9.204 -10.616 1.00 71.10 H new ATOM 389 N ASN A 43 16.500 1.827 -8.759 1.00 15.22 N ATOM 390 CA ASN A 43 16.394 0.498 -8.160 1.00 42.44 C ATOM 391 C ASN A 43 15.522 0.513 -6.900 1.00 64.00 C ATOM 392 O ASN A 43 15.741 -0.254 -5.962 1.00 35.32 O ATOM 393 CB ASN A 43 17.793 -0.052 -7.847 1.00 14.33 C ATOM 394 CG ASN A 43 17.786 -1.534 -7.508 1.00 21.10 C ATOM 395 OD1 ASN A 43 16.869 -2.284 -8.102 1.00 12.32 O flip ATOM 396 ND2 ASN A 43 18.616 -2.007 -6.728 1.00 4.22 N flip ATOM 0 H ASN A 43 16.159 1.874 -9.719 1.00 15.22 H new ATOM 0 HA ASN A 43 15.908 -0.159 -8.882 1.00 42.44 H new ATOM 0 HB2 ASN A 43 18.444 0.116 -8.705 1.00 14.33 H new ATOM 0 HB3 ASN A 43 18.218 0.504 -7.011 1.00 14.33 H new ATOM 0 HD21 ASN A 43 19.308 -1.399 -6.289 1.00 4.22 H new ATOM 0 HD22 ASN A 43 18.611 -3.006 -6.522 1.00 4.22 H new ATOM 403 N ILE A 44 14.523 1.382 -6.884 1.00 44.13 N ATOM 404 CA ILE A 44 13.563 1.399 -5.791 1.00 31.23 C ATOM 405 C ILE A 44 12.472 0.369 -6.071 1.00 14.10 C ATOM 406 O ILE A 44 12.178 0.075 -7.232 1.00 30.35 O ATOM 407 CB ILE A 44 12.936 2.801 -5.588 1.00 12.21 C ATOM 408 CG1 ILE A 44 12.064 2.826 -4.327 1.00 0.42 C ATOM 409 CG2 ILE A 44 12.122 3.209 -6.804 1.00 42.01 C ATOM 410 CD1 ILE A 44 11.417 4.167 -4.059 1.00 62.33 C ATOM 0 H ILE A 44 14.356 2.080 -7.609 1.00 44.13 H new ATOM 0 HA ILE A 44 14.090 1.149 -4.870 1.00 31.23 H new ATOM 0 HB ILE A 44 13.746 3.519 -5.462 1.00 12.21 H new ATOM 0 HG12 ILE A 44 11.285 2.069 -4.420 1.00 0.42 H new ATOM 0 HG13 ILE A 44 12.676 2.550 -3.468 1.00 0.42 H new ATOM 0 HG21 ILE A 44 11.691 4.197 -6.639 1.00 42.01 H new ATOM 0 HG22 ILE A 44 12.768 3.237 -7.682 1.00 42.01 H new ATOM 0 HG23 ILE A 44 11.322 2.487 -6.965 1.00 42.01 H new ATOM 0 HD11 ILE A 44 10.816 4.106 -3.151 1.00 62.33 H new ATOM 0 HD12 ILE A 44 12.190 4.925 -3.933 1.00 62.33 H new ATOM 0 HD13 ILE A 44 10.778 4.437 -4.900 1.00 62.33 H new ATOM 422 N GLU A 45 11.901 -0.200 -5.020 1.00 4.44 N ATOM 423 CA GLU A 45 10.870 -1.214 -5.178 1.00 12.30 C ATOM 424 C GLU A 45 9.604 -0.617 -5.778 1.00 74.21 C ATOM 425 O GLU A 45 8.793 -0.006 -5.078 1.00 61.12 O ATOM 426 CB GLU A 45 10.563 -1.884 -3.839 1.00 13.32 C ATOM 427 CG GLU A 45 11.735 -2.672 -3.285 1.00 25.30 C ATOM 428 CD GLU A 45 12.215 -3.740 -4.249 1.00 64.45 C ATOM 429 OE1 GLU A 45 11.597 -4.823 -4.301 1.00 43.04 O ATOM 430 OE2 GLU A 45 13.203 -3.501 -4.969 1.00 43.24 O ATOM 0 H GLU A 45 12.133 0.022 -4.052 1.00 4.44 H new ATOM 0 HA GLU A 45 11.246 -1.971 -5.866 1.00 12.30 H new ATOM 0 HB2 GLU A 45 10.272 -1.122 -3.117 1.00 13.32 H new ATOM 0 HB3 GLU A 45 9.709 -2.551 -3.961 1.00 13.32 H new ATOM 0 HG2 GLU A 45 12.556 -1.990 -3.063 1.00 25.30 H new ATOM 0 HG3 GLU A 45 11.444 -3.139 -2.344 1.00 25.30 H new ATOM 437 N ALA A 46 9.466 -0.777 -7.085 1.00 1.22 N ATOM 438 CA ALA A 46 8.303 -0.294 -7.804 1.00 31.22 C ATOM 439 C ALA A 46 7.326 -1.431 -8.062 1.00 45.33 C ATOM 440 O ALA A 46 7.692 -2.467 -8.619 1.00 1.32 O ATOM 441 CB ALA A 46 8.724 0.354 -9.116 1.00 2.12 C ATOM 0 H ALA A 46 10.156 -1.244 -7.673 1.00 1.22 H new ATOM 0 HA ALA A 46 7.803 0.456 -7.191 1.00 31.22 H new ATOM 0 HB1 ALA A 46 7.841 0.712 -9.645 1.00 2.12 H new ATOM 0 HB2 ALA A 46 9.389 1.193 -8.911 1.00 2.12 H new ATOM 0 HB3 ALA A 46 9.244 -0.378 -9.733 1.00 2.12 H new ATOM 447 N ASN A 47 6.095 -1.244 -7.624 1.00 12.44 N ATOM 448 CA ASN A 47 5.039 -2.225 -7.824 1.00 31.23 C ATOM 449 C ASN A 47 3.976 -1.638 -8.746 1.00 45.41 C ATOM 450 O ASN A 47 3.822 -0.416 -8.822 1.00 53.21 O ATOM 451 CB ASN A 47 4.412 -2.629 -6.480 1.00 53.55 C ATOM 452 CG ASN A 47 5.268 -3.589 -5.660 1.00 72.44 C ATOM 453 OD1 ASN A 47 6.579 -3.542 -5.840 1.00 72.20 O flip ATOM 454 ND2 ASN A 47 4.748 -4.369 -4.865 1.00 32.21 N flip ATOM 0 H ASN A 47 5.797 -0.409 -7.120 1.00 12.44 H new ATOM 0 HA ASN A 47 5.465 -3.118 -8.281 1.00 31.23 H new ATOM 0 HB2 ASN A 47 4.228 -1.730 -5.892 1.00 53.55 H new ATOM 0 HB3 ASN A 47 3.443 -3.092 -6.667 1.00 53.55 H new ATOM 0 HD21 ASN A 47 3.735 -4.380 -4.750 1.00 32.21 H new ATOM 0 HD22 ASN A 47 5.330 -5.005 -4.320 1.00 32.21 H new ATOM 461 N LYS A 48 3.250 -2.500 -9.442 1.00 74.41 N ATOM 462 CA LYS A 48 2.258 -2.056 -10.414 1.00 11.32 C ATOM 463 C LYS A 48 0.859 -2.063 -9.799 1.00 54.13 C ATOM 464 O LYS A 48 0.491 -3.002 -9.093 1.00 13.12 O ATOM 465 CB LYS A 48 2.303 -2.969 -11.643 1.00 42.35 C ATOM 466 CG LYS A 48 1.574 -2.417 -12.858 1.00 2.45 C ATOM 467 CD LYS A 48 1.674 -3.373 -14.035 1.00 20.15 C ATOM 468 CE LYS A 48 1.133 -2.756 -15.315 1.00 3.35 C ATOM 469 NZ LYS A 48 1.260 -3.684 -16.472 1.00 61.31 N ATOM 0 H LYS A 48 3.328 -3.513 -9.353 1.00 74.41 H new ATOM 0 HA LYS A 48 2.490 -1.034 -10.715 1.00 11.32 H new ATOM 0 HB2 LYS A 48 3.344 -3.149 -11.909 1.00 42.35 H new ATOM 0 HB3 LYS A 48 1.869 -3.934 -11.381 1.00 42.35 H new ATOM 0 HG2 LYS A 48 0.526 -2.247 -12.611 1.00 2.45 H new ATOM 0 HG3 LYS A 48 1.998 -1.451 -13.133 1.00 2.45 H new ATOM 0 HD2 LYS A 48 2.715 -3.660 -14.182 1.00 20.15 H new ATOM 0 HD3 LYS A 48 1.121 -4.285 -13.810 1.00 20.15 H new ATOM 0 HE2 LYS A 48 0.085 -2.490 -15.176 1.00 3.35 H new ATOM 0 HE3 LYS A 48 1.671 -1.832 -15.529 1.00 3.35 H new ATOM 0 HZ1 LYS A 48 0.733 -3.302 -17.283 1.00 61.31 H new ATOM 0 HZ2 LYS A 48 2.263 -3.785 -16.728 1.00 61.31 H new ATOM 0 HZ3 LYS A 48 0.873 -4.614 -16.215 1.00 61.31 H new ATOM 483 N ILE A 49 0.089 -1.011 -10.055 1.00 42.42 N ATOM 484 CA ILE A 49 -1.279 -0.922 -9.550 1.00 55.54 C ATOM 485 C ILE A 49 -2.258 -0.576 -10.665 1.00 43.42 C ATOM 486 O ILE A 49 -2.030 0.353 -11.444 1.00 63.33 O ATOM 487 CB ILE A 49 -1.424 0.117 -8.414 1.00 30.52 C ATOM 488 CG1 ILE A 49 -0.711 1.426 -8.774 1.00 63.10 C ATOM 489 CG2 ILE A 49 -0.896 -0.447 -7.105 1.00 1.53 C ATOM 490 CD1 ILE A 49 -0.847 2.508 -7.723 1.00 53.04 C ATOM 0 H ILE A 49 0.387 -0.208 -10.609 1.00 42.42 H new ATOM 0 HA ILE A 49 -1.514 -1.907 -9.147 1.00 55.54 H new ATOM 0 HB ILE A 49 -2.484 0.338 -8.287 1.00 30.52 H new ATOM 0 HG12 ILE A 49 0.347 1.220 -8.934 1.00 63.10 H new ATOM 0 HG13 ILE A 49 -1.110 1.798 -9.718 1.00 63.10 H new ATOM 0 HG21 ILE A 49 -1.006 0.298 -6.317 1.00 1.53 H new ATOM 0 HG22 ILE A 49 -1.460 -1.341 -6.840 1.00 1.53 H new ATOM 0 HG23 ILE A 49 0.158 -0.703 -7.218 1.00 1.53 H new ATOM 0 HD11 ILE A 49 -0.316 3.402 -8.050 1.00 53.04 H new ATOM 0 HD12 ILE A 49 -1.901 2.744 -7.578 1.00 53.04 H new ATOM 0 HD13 ILE A 49 -0.422 2.157 -6.783 1.00 53.04 H new ATOM 502 N ASP A 50 -3.331 -1.350 -10.748 1.00 65.30 N ATOM 503 CA ASP A 50 -4.382 -1.112 -11.731 1.00 72.24 C ATOM 504 C ASP A 50 -5.644 -0.611 -11.032 1.00 55.40 C ATOM 505 O ASP A 50 -6.098 -1.217 -10.058 1.00 73.45 O ATOM 506 CB ASP A 50 -4.689 -2.405 -12.494 1.00 73.23 C ATOM 507 CG ASP A 50 -5.485 -2.176 -13.768 1.00 41.43 C ATOM 508 OD1 ASP A 50 -6.547 -1.524 -13.715 1.00 42.40 O ATOM 509 OD2 ASP A 50 -5.051 -2.660 -14.834 1.00 24.25 O ATOM 0 H ASP A 50 -3.498 -2.154 -10.143 1.00 65.30 H new ATOM 0 HA ASP A 50 -4.041 -0.355 -12.437 1.00 72.24 H new ATOM 0 HB2 ASP A 50 -3.752 -2.903 -12.744 1.00 73.23 H new ATOM 0 HB3 ASP A 50 -5.245 -3.080 -11.843 1.00 73.23 H new ATOM 514 N SER A 51 -6.193 0.500 -11.505 1.00 54.43 N ATOM 515 CA SER A 51 -7.447 1.024 -10.973 1.00 14.42 C ATOM 516 C SER A 51 -8.168 1.839 -12.047 1.00 22.41 C ATOM 517 O SER A 51 -7.571 2.195 -13.062 1.00 45.33 O ATOM 518 CB SER A 51 -7.189 1.883 -9.729 1.00 51.43 C ATOM 519 OG SER A 51 -6.475 1.161 -8.737 1.00 75.51 O ATOM 0 H SER A 51 -5.790 1.058 -12.258 1.00 54.43 H new ATOM 0 HA SER A 51 -8.081 0.187 -10.681 1.00 14.42 H new ATOM 0 HB2 SER A 51 -6.625 2.772 -10.010 1.00 51.43 H new ATOM 0 HB3 SER A 51 -8.139 2.225 -9.318 1.00 51.43 H new ATOM 0 HG SER A 51 -6.325 1.736 -7.958 1.00 75.51 H new ATOM 525 N GLY A 52 -9.441 2.139 -11.825 1.00 30.31 N ATOM 526 CA GLY A 52 -10.227 2.834 -12.830 1.00 14.54 C ATOM 527 C GLY A 52 -9.885 4.309 -12.949 1.00 71.22 C ATOM 528 O GLY A 52 -9.644 4.805 -14.049 1.00 64.03 O ATOM 0 H GLY A 52 -9.945 1.914 -10.967 1.00 30.31 H new ATOM 0 HA2 GLY A 52 -10.074 2.354 -13.797 1.00 14.54 H new ATOM 0 HA3 GLY A 52 -11.285 2.732 -12.588 1.00 14.54 H new ATOM 532 N LYS A 53 -9.837 5.005 -11.819 1.00 73.12 N ATOM 533 CA LYS A 53 -9.574 6.447 -11.810 1.00 63.44 C ATOM 534 C LYS A 53 -8.091 6.719 -12.033 1.00 3.51 C ATOM 535 O LYS A 53 -7.684 7.836 -12.356 1.00 40.23 O ATOM 536 CB LYS A 53 -10.001 7.059 -10.469 1.00 4.54 C ATOM 537 CG LYS A 53 -9.057 6.713 -9.323 1.00 2.21 C ATOM 538 CD LYS A 53 -9.470 7.371 -8.020 1.00 4.04 C ATOM 539 CE LYS A 53 -8.386 7.222 -6.961 1.00 62.42 C ATOM 540 NZ LYS A 53 -7.123 7.905 -7.363 1.00 14.13 N ATOM 0 H LYS A 53 -9.976 4.598 -10.894 1.00 73.12 H new ATOM 0 HA LYS A 53 -10.150 6.901 -12.616 1.00 63.44 H new ATOM 0 HB2 LYS A 53 -10.055 8.143 -10.572 1.00 4.54 H new ATOM 0 HB3 LYS A 53 -11.004 6.712 -10.222 1.00 4.54 H new ATOM 0 HG2 LYS A 53 -9.032 5.631 -9.190 1.00 2.21 H new ATOM 0 HG3 LYS A 53 -8.045 7.026 -9.581 1.00 2.21 H new ATOM 0 HD2 LYS A 53 -9.672 8.428 -8.191 1.00 4.04 H new ATOM 0 HD3 LYS A 53 -10.397 6.923 -7.661 1.00 4.04 H new ATOM 0 HE2 LYS A 53 -8.740 7.638 -6.017 1.00 62.42 H new ATOM 0 HE3 LYS A 53 -8.188 6.164 -6.789 1.00 62.42 H new ATOM 0 HZ1 LYS A 53 -6.450 7.884 -6.571 1.00 14.13 H new ATOM 0 HZ2 LYS A 53 -6.709 7.416 -8.182 1.00 14.13 H new ATOM 0 HZ3 LYS A 53 -7.328 8.892 -7.617 1.00 14.13 H new ATOM 554 N LEU A 54 -7.295 5.684 -11.847 1.00 10.10 N ATOM 555 CA LEU A 54 -5.849 5.803 -11.872 1.00 3.13 C ATOM 556 C LEU A 54 -5.275 5.276 -13.185 1.00 75.21 C ATOM 557 O LEU A 54 -4.284 5.800 -13.695 1.00 72.43 O ATOM 558 CB LEU A 54 -5.284 5.050 -10.661 1.00 55.41 C ATOM 559 CG LEU A 54 -3.770 4.867 -10.603 1.00 2.20 C ATOM 560 CD1 LEU A 54 -3.276 5.043 -9.176 1.00 50.12 C ATOM 561 CD2 LEU A 54 -3.390 3.488 -11.120 1.00 1.43 C ATOM 0 H LEU A 54 -7.632 4.737 -11.674 1.00 10.10 H new ATOM 0 HA LEU A 54 -5.561 6.852 -11.811 1.00 3.13 H new ATOM 0 HB2 LEU A 54 -5.596 5.576 -9.759 1.00 55.41 H new ATOM 0 HB3 LEU A 54 -5.746 4.063 -10.630 1.00 55.41 H new ATOM 0 HG LEU A 54 -3.301 5.622 -11.234 1.00 2.20 H new ATOM 0 HD11 LEU A 54 -2.195 4.910 -9.146 1.00 50.12 H new ATOM 0 HD12 LEU A 54 -3.529 6.043 -8.824 1.00 50.12 H new ATOM 0 HD13 LEU A 54 -3.750 4.302 -8.533 1.00 50.12 H new ATOM 0 HD21 LEU A 54 -2.308 3.368 -11.074 1.00 1.43 H new ATOM 0 HD22 LEU A 54 -3.866 2.725 -10.505 1.00 1.43 H new ATOM 0 HD23 LEU A 54 -3.724 3.382 -12.152 1.00 1.43 H new ATOM 573 N GLY A 55 -5.926 4.268 -13.744 1.00 3.24 N ATOM 574 CA GLY A 55 -5.424 3.640 -14.949 1.00 45.05 C ATOM 575 C GLY A 55 -4.230 2.766 -14.651 1.00 72.13 C ATOM 576 O GLY A 55 -4.339 1.791 -13.904 1.00 33.43 O ATOM 0 H GLY A 55 -6.795 3.872 -13.384 1.00 3.24 H new ATOM 0 HA2 GLY A 55 -6.212 3.041 -15.406 1.00 45.05 H new ATOM 0 HA3 GLY A 55 -5.146 4.406 -15.673 1.00 45.05 H new ATOM 580 N TYR A 56 -3.095 3.116 -15.228 1.00 32.22 N ATOM 581 CA TYR A 56 -1.847 2.434 -14.942 1.00 21.12 C ATOM 582 C TYR A 56 -0.883 3.403 -14.277 1.00 72.31 C ATOM 583 O TYR A 56 -0.527 4.432 -14.852 1.00 31.14 O ATOM 584 CB TYR A 56 -1.232 1.875 -16.229 1.00 2.53 C ATOM 585 CG TYR A 56 -2.074 0.810 -16.895 1.00 51.23 C ATOM 586 CD1 TYR A 56 -3.067 1.148 -17.808 1.00 73.21 C ATOM 587 CD2 TYR A 56 -1.879 -0.533 -16.607 1.00 24.34 C ATOM 588 CE1 TYR A 56 -3.842 0.176 -18.410 1.00 53.21 C ATOM 589 CE2 TYR A 56 -2.647 -1.511 -17.206 1.00 44.41 C ATOM 590 CZ TYR A 56 -3.628 -1.152 -18.106 1.00 25.02 C ATOM 591 OH TYR A 56 -4.400 -2.125 -18.700 1.00 52.53 O ATOM 0 H TYR A 56 -3.012 3.876 -15.904 1.00 32.22 H new ATOM 0 HA TYR A 56 -2.044 1.600 -14.269 1.00 21.12 H new ATOM 0 HB2 TYR A 56 -1.076 2.694 -16.931 1.00 2.53 H new ATOM 0 HB3 TYR A 56 -0.251 1.459 -16.001 1.00 2.53 H new ATOM 0 HD1 TYR A 56 -3.235 2.187 -18.050 1.00 73.21 H new ATOM 0 HD2 TYR A 56 -1.113 -0.818 -15.902 1.00 24.34 H new ATOM 0 HE1 TYR A 56 -4.611 0.454 -19.115 1.00 53.21 H new ATOM 0 HE2 TYR A 56 -2.480 -2.552 -16.971 1.00 44.41 H new ATOM 0 HH TYR A 56 -4.120 -3.007 -18.378 1.00 52.53 H new ATOM 601 N SER A 57 -0.480 3.088 -13.060 1.00 44.42 N ATOM 602 CA SER A 57 0.432 3.939 -12.322 1.00 51.11 C ATOM 603 C SER A 57 1.350 3.111 -11.441 1.00 50.42 C ATOM 604 O SER A 57 1.247 1.881 -11.393 1.00 15.12 O ATOM 605 CB SER A 57 -0.343 4.951 -11.481 1.00 52.04 C ATOM 606 OG SER A 57 -1.149 5.778 -12.303 1.00 32.13 O ATOM 0 H SER A 57 -0.771 2.247 -12.562 1.00 44.42 H new ATOM 0 HA SER A 57 1.046 4.482 -13.040 1.00 51.11 H new ATOM 0 HB2 SER A 57 -0.970 4.427 -10.760 1.00 52.04 H new ATOM 0 HB3 SER A 57 0.353 5.566 -10.911 1.00 52.04 H new ATOM 0 HG SER A 57 -0.724 5.881 -13.180 1.00 32.13 H new ATOM 612 N ILE A 58 2.246 3.791 -10.747 1.00 25.12 N ATOM 613 CA ILE A 58 3.280 3.128 -9.980 1.00 14.54 C ATOM 614 C ILE A 58 3.046 3.306 -8.490 1.00 64.35 C ATOM 615 O ILE A 58 2.671 4.386 -8.038 1.00 4.14 O ATOM 616 CB ILE A 58 4.670 3.702 -10.325 1.00 42.24 C ATOM 617 CG1 ILE A 58 4.789 3.937 -11.832 1.00 12.42 C ATOM 618 CG2 ILE A 58 5.774 2.768 -9.840 1.00 43.22 C ATOM 619 CD1 ILE A 58 4.693 2.675 -12.664 1.00 42.01 C ATOM 0 H ILE A 58 2.276 4.810 -10.701 1.00 25.12 H new ATOM 0 HA ILE A 58 3.243 2.069 -10.235 1.00 14.54 H new ATOM 0 HB ILE A 58 4.784 4.658 -9.815 1.00 42.24 H new ATOM 0 HG12 ILE A 58 4.004 4.626 -12.145 1.00 12.42 H new ATOM 0 HG13 ILE A 58 5.742 4.424 -12.039 1.00 12.42 H new ATOM 0 HG21 ILE A 58 6.746 3.191 -10.093 1.00 43.22 H new ATOM 0 HG22 ILE A 58 5.701 2.649 -8.759 1.00 43.22 H new ATOM 0 HG23 ILE A 58 5.665 1.796 -10.321 1.00 43.22 H new ATOM 0 HD11 ILE A 58 4.787 2.928 -13.720 1.00 42.01 H new ATOM 0 HD12 ILE A 58 5.494 1.991 -12.382 1.00 42.01 H new ATOM 0 HD13 ILE A 58 3.729 2.197 -12.489 1.00 42.01 H new ATOM 631 N THR A 59 3.254 2.244 -7.738 1.00 63.41 N ATOM 632 CA THR A 59 3.289 2.333 -6.293 1.00 45.24 C ATOM 633 C THR A 59 4.640 1.824 -5.814 1.00 72.43 C ATOM 634 O THR A 59 5.201 0.901 -6.396 1.00 63.50 O ATOM 635 CB THR A 59 2.141 1.533 -5.627 1.00 42.14 C ATOM 636 OG1 THR A 59 2.143 1.736 -4.207 1.00 63.44 O ATOM 637 CG2 THR A 59 2.258 0.047 -5.916 1.00 13.42 C ATOM 0 H THR A 59 3.402 1.305 -8.107 1.00 63.41 H new ATOM 0 HA THR A 59 3.148 3.375 -6.004 1.00 45.24 H new ATOM 0 HB THR A 59 1.205 1.900 -6.049 1.00 42.14 H new ATOM 0 HG1 THR A 59 1.648 1.011 -3.772 1.00 63.44 H new ATOM 0 HG21 THR A 59 1.437 -0.483 -5.434 1.00 13.42 H new ATOM 0 HG22 THR A 59 2.214 -0.119 -6.992 1.00 13.42 H new ATOM 0 HG23 THR A 59 3.207 -0.325 -5.530 1.00 13.42 H new ATOM 645 N VAL A 60 5.179 2.436 -4.784 1.00 21.34 N ATOM 646 CA VAL A 60 6.488 2.051 -4.288 1.00 51.34 C ATOM 647 C VAL A 60 6.376 1.452 -2.898 1.00 12.15 C ATOM 648 O VAL A 60 5.280 1.391 -2.333 1.00 1.51 O ATOM 649 CB VAL A 60 7.469 3.238 -4.263 1.00 15.24 C ATOM 650 CG1 VAL A 60 7.700 3.776 -5.669 1.00 63.14 C ATOM 651 CG2 VAL A 60 6.964 4.335 -3.337 1.00 5.24 C ATOM 0 H VAL A 60 4.736 3.200 -4.273 1.00 21.34 H new ATOM 0 HA VAL A 60 6.883 1.304 -4.976 1.00 51.34 H new ATOM 0 HB VAL A 60 8.424 2.883 -3.876 1.00 15.24 H new ATOM 0 HG11 VAL A 60 8.396 4.614 -5.628 1.00 63.14 H new ATOM 0 HG12 VAL A 60 8.117 2.988 -6.296 1.00 63.14 H new ATOM 0 HG13 VAL A 60 6.752 4.112 -6.090 1.00 63.14 H new ATOM 0 HG21 VAL A 60 7.672 5.164 -3.334 1.00 5.24 H new ATOM 0 HG22 VAL A 60 5.994 4.688 -3.686 1.00 5.24 H new ATOM 0 HG23 VAL A 60 6.864 3.940 -2.326 1.00 5.24 H new ATOM 661 N ALA A 61 7.504 0.964 -2.389 1.00 52.25 N ATOM 662 CA ALA A 61 7.579 0.400 -1.047 1.00 30.10 C ATOM 663 C ALA A 61 6.868 1.288 -0.028 1.00 30.23 C ATOM 664 O ALA A 61 6.890 2.517 -0.136 1.00 21.02 O ATOM 665 CB ALA A 61 9.031 0.191 -0.650 1.00 51.40 C ATOM 0 H ALA A 61 8.389 0.949 -2.895 1.00 52.25 H new ATOM 0 HA ALA A 61 7.070 -0.564 -1.056 1.00 30.10 H new ATOM 0 HB1 ALA A 61 9.077 -0.231 0.354 1.00 51.40 H new ATOM 0 HB2 ALA A 61 9.505 -0.494 -1.353 1.00 51.40 H new ATOM 0 HB3 ALA A 61 9.554 1.147 -0.666 1.00 51.40 H new ATOM 671 N GLU A 62 6.273 0.650 0.971 1.00 50.30 N ATOM 672 CA GLU A 62 5.392 1.318 1.926 1.00 25.21 C ATOM 673 C GLU A 62 6.003 2.609 2.503 1.00 45.53 C ATOM 674 O GLU A 62 5.390 3.671 2.396 1.00 71.40 O ATOM 675 CB GLU A 62 5.005 0.344 3.047 1.00 74.13 C ATOM 676 CG GLU A 62 3.978 0.896 4.017 1.00 10.45 C ATOM 677 CD GLU A 62 2.684 1.297 3.341 1.00 30.10 C ATOM 678 OE1 GLU A 62 2.230 0.580 2.427 1.00 23.33 O ATOM 679 OE2 GLU A 62 2.109 2.333 3.729 1.00 2.34 O ATOM 0 H GLU A 62 6.387 -0.349 1.144 1.00 50.30 H new ATOM 0 HA GLU A 62 4.496 1.622 1.385 1.00 25.21 H new ATOM 0 HB2 GLU A 62 4.614 -0.570 2.601 1.00 74.13 H new ATOM 0 HB3 GLU A 62 5.902 0.069 3.601 1.00 74.13 H new ATOM 0 HG2 GLU A 62 3.766 0.146 4.780 1.00 10.45 H new ATOM 0 HG3 GLU A 62 4.398 1.762 4.529 1.00 10.45 H new ATOM 686 N PRO A 63 7.218 2.566 3.095 1.00 65.43 N ATOM 687 CA PRO A 63 7.818 3.736 3.719 1.00 43.22 C ATOM 688 C PRO A 63 8.698 4.536 2.759 1.00 13.44 C ATOM 689 O PRO A 63 9.268 5.562 3.135 1.00 60.53 O ATOM 690 CB PRO A 63 8.668 3.128 4.843 1.00 40.23 C ATOM 691 CG PRO A 63 8.865 1.678 4.491 1.00 44.04 C ATOM 692 CD PRO A 63 8.115 1.408 3.211 1.00 74.55 C ATOM 0 HA PRO A 63 7.065 4.446 4.060 1.00 43.22 H new ATOM 0 HB2 PRO A 63 9.626 3.641 4.926 1.00 40.23 H new ATOM 0 HB3 PRO A 63 8.168 3.229 5.806 1.00 40.23 H new ATOM 0 HG2 PRO A 63 9.925 1.456 4.367 1.00 44.04 H new ATOM 0 HG3 PRO A 63 8.497 1.037 5.292 1.00 44.04 H new ATOM 0 HD2 PRO A 63 8.789 1.334 2.358 1.00 74.55 H new ATOM 0 HD3 PRO A 63 7.559 0.472 3.260 1.00 74.55 H new ATOM 700 N ASP A 64 8.789 4.082 1.515 1.00 74.23 N ATOM 701 CA ASP A 64 9.701 4.691 0.553 1.00 4.32 C ATOM 702 C ASP A 64 8.953 5.598 -0.417 1.00 43.53 C ATOM 703 O ASP A 64 9.490 6.005 -1.448 1.00 34.30 O ATOM 704 CB ASP A 64 10.452 3.614 -0.224 1.00 11.20 C ATOM 705 CG ASP A 64 11.929 3.925 -0.353 1.00 3.41 C ATOM 706 OD1 ASP A 64 12.277 5.061 -0.730 1.00 54.21 O ATOM 707 OD2 ASP A 64 12.754 3.035 -0.056 1.00 1.13 O ATOM 0 H ASP A 64 8.247 3.299 1.150 1.00 74.23 H new ATOM 0 HA ASP A 64 10.416 5.296 1.110 1.00 4.32 H new ATOM 0 HB2 ASP A 64 10.327 2.654 0.277 1.00 11.20 H new ATOM 0 HB3 ASP A 64 10.015 3.515 -1.218 1.00 11.20 H new ATOM 712 N PHE A 65 7.713 5.928 -0.077 1.00 51.40 N ATOM 713 CA PHE A 65 6.894 6.804 -0.912 1.00 51.14 C ATOM 714 C PHE A 65 7.554 8.176 -1.061 1.00 71.52 C ATOM 715 O PHE A 65 7.365 8.868 -2.063 1.00 62.34 O ATOM 716 CB PHE A 65 5.492 6.943 -0.315 1.00 62.35 C ATOM 717 CG PHE A 65 4.540 7.739 -1.166 1.00 44.41 C ATOM 718 CD1 PHE A 65 4.100 7.246 -2.384 1.00 41.31 C ATOM 719 CD2 PHE A 65 4.084 8.977 -0.746 1.00 71.24 C ATOM 720 CE1 PHE A 65 3.225 7.973 -3.167 1.00 72.33 C ATOM 721 CE2 PHE A 65 3.208 9.709 -1.525 1.00 1.32 C ATOM 722 CZ PHE A 65 2.777 9.207 -2.737 1.00 62.43 C ATOM 0 H PHE A 65 7.250 5.603 0.772 1.00 51.40 H new ATOM 0 HA PHE A 65 6.807 6.359 -1.903 1.00 51.14 H new ATOM 0 HB2 PHE A 65 5.076 5.948 -0.156 1.00 62.35 H new ATOM 0 HB3 PHE A 65 5.570 7.416 0.664 1.00 62.35 H new ATOM 0 HD1 PHE A 65 4.446 6.281 -2.725 1.00 41.31 H new ATOM 0 HD2 PHE A 65 4.417 9.375 0.201 1.00 71.24 H new ATOM 0 HE1 PHE A 65 2.891 7.577 -4.115 1.00 72.33 H new ATOM 0 HE2 PHE A 65 2.861 10.674 -1.186 1.00 1.32 H new ATOM 0 HZ PHE A 65 2.092 9.777 -3.347 1.00 62.43 H new ATOM 732 N THR A 66 8.343 8.545 -0.060 1.00 50.32 N ATOM 733 CA THR A 66 9.060 9.811 -0.060 1.00 1.55 C ATOM 734 C THR A 66 10.026 9.906 -1.249 1.00 44.11 C ATOM 735 O THR A 66 10.257 10.991 -1.786 1.00 35.24 O ATOM 736 CB THR A 66 9.829 10.004 1.269 1.00 4.23 C ATOM 737 OG1 THR A 66 10.528 11.255 1.277 1.00 21.34 O ATOM 738 CG2 THR A 66 10.815 8.867 1.502 1.00 12.52 C ATOM 0 H THR A 66 8.503 7.976 0.772 1.00 50.32 H new ATOM 0 HA THR A 66 8.322 10.607 -0.158 1.00 1.55 H new ATOM 0 HB THR A 66 9.095 10.002 2.075 1.00 4.23 H new ATOM 0 HG1 THR A 66 11.006 11.357 2.126 1.00 21.34 H new ATOM 0 HG21 THR A 66 11.341 9.029 2.443 1.00 12.52 H new ATOM 0 HG22 THR A 66 10.276 7.921 1.546 1.00 12.52 H new ATOM 0 HG23 THR A 66 11.535 8.836 0.684 1.00 12.52 H new ATOM 746 N ALA A 67 10.574 8.768 -1.671 1.00 72.44 N ATOM 747 CA ALA A 67 11.485 8.741 -2.807 1.00 34.54 C ATOM 748 C ALA A 67 10.709 8.852 -4.106 1.00 73.05 C ATOM 749 O ALA A 67 11.135 9.539 -5.032 1.00 1.02 O ATOM 750 CB ALA A 67 12.316 7.470 -2.805 1.00 22.54 C ATOM 0 H ALA A 67 10.402 7.858 -1.244 1.00 72.44 H new ATOM 0 HA ALA A 67 12.159 9.593 -2.721 1.00 34.54 H new ATOM 0 HB1 ALA A 67 12.988 7.474 -3.663 1.00 22.54 H new ATOM 0 HB2 ALA A 67 12.900 7.419 -1.886 1.00 22.54 H new ATOM 0 HB3 ALA A 67 11.657 6.604 -2.864 1.00 22.54 H new ATOM 756 N ALA A 68 9.560 8.183 -4.157 1.00 23.01 N ATOM 757 CA ALA A 68 8.702 8.212 -5.334 1.00 52.12 C ATOM 758 C ALA A 68 8.394 9.646 -5.739 1.00 50.44 C ATOM 759 O ALA A 68 8.607 10.035 -6.884 1.00 1.24 O ATOM 760 CB ALA A 68 7.411 7.455 -5.071 1.00 1.44 C ATOM 0 H ALA A 68 9.202 7.612 -3.392 1.00 23.01 H new ATOM 0 HA ALA A 68 9.232 7.726 -6.153 1.00 52.12 H new ATOM 0 HB1 ALA A 68 6.783 7.487 -5.961 1.00 1.44 H new ATOM 0 HB2 ALA A 68 7.641 6.418 -4.826 1.00 1.44 H new ATOM 0 HB3 ALA A 68 6.882 7.916 -4.237 1.00 1.44 H new ATOM 766 N VAL A 69 7.919 10.433 -4.780 1.00 22.05 N ATOM 767 CA VAL A 69 7.584 11.831 -5.027 1.00 45.52 C ATOM 768 C VAL A 69 8.812 12.607 -5.499 1.00 35.14 C ATOM 769 O VAL A 69 8.723 13.452 -6.392 1.00 51.11 O ATOM 770 CB VAL A 69 7.012 12.503 -3.759 1.00 1.21 C ATOM 771 CG1 VAL A 69 6.608 13.944 -4.039 1.00 41.33 C ATOM 772 CG2 VAL A 69 5.832 11.711 -3.223 1.00 73.23 C ATOM 0 H VAL A 69 7.757 10.125 -3.821 1.00 22.05 H new ATOM 0 HA VAL A 69 6.824 11.849 -5.808 1.00 45.52 H new ATOM 0 HB VAL A 69 7.794 12.515 -3.000 1.00 1.21 H new ATOM 0 HG11 VAL A 69 6.209 14.393 -3.130 1.00 41.33 H new ATOM 0 HG12 VAL A 69 7.480 14.508 -4.370 1.00 41.33 H new ATOM 0 HG13 VAL A 69 5.846 13.963 -4.818 1.00 41.33 H new ATOM 0 HG21 VAL A 69 5.442 12.199 -2.330 1.00 73.23 H new ATOM 0 HG22 VAL A 69 5.051 11.664 -3.982 1.00 73.23 H new ATOM 0 HG23 VAL A 69 6.156 10.701 -2.972 1.00 73.23 H new ATOM 782 N TYR A 70 9.961 12.292 -4.915 1.00 54.43 N ATOM 783 CA TYR A 70 11.200 12.991 -5.230 1.00 35.34 C ATOM 784 C TYR A 70 11.648 12.683 -6.659 1.00 3.31 C ATOM 785 O TYR A 70 12.104 13.571 -7.386 1.00 20.12 O ATOM 786 CB TYR A 70 12.288 12.595 -4.231 1.00 72.20 C ATOM 787 CG TYR A 70 13.506 13.494 -4.260 1.00 23.44 C ATOM 788 CD1 TYR A 70 13.375 14.874 -4.164 1.00 54.32 C ATOM 789 CD2 TYR A 70 14.784 12.963 -4.376 1.00 61.32 C ATOM 790 CE1 TYR A 70 14.482 15.697 -4.182 1.00 2.12 C ATOM 791 CE2 TYR A 70 15.897 13.783 -4.390 1.00 41.34 C ATOM 792 CZ TYR A 70 15.739 15.148 -4.294 1.00 65.32 C ATOM 793 OH TYR A 70 16.842 15.971 -4.295 1.00 63.10 O ATOM 0 H TYR A 70 10.061 11.554 -4.218 1.00 54.43 H new ATOM 0 HA TYR A 70 11.024 14.064 -5.156 1.00 35.34 H new ATOM 0 HB2 TYR A 70 11.866 12.605 -3.226 1.00 72.20 H new ATOM 0 HB3 TYR A 70 12.600 11.571 -4.436 1.00 72.20 H new ATOM 0 HD1 TYR A 70 12.391 15.309 -4.074 1.00 54.32 H new ATOM 0 HD2 TYR A 70 14.910 11.893 -4.456 1.00 61.32 H new ATOM 0 HE1 TYR A 70 14.363 16.768 -4.108 1.00 2.12 H new ATOM 0 HE2 TYR A 70 16.885 13.356 -4.476 1.00 41.34 H new ATOM 0 HH TYR A 70 17.654 15.429 -4.380 1.00 63.10 H new ATOM 803 N TRP A 71 11.500 11.429 -7.068 1.00 5.14 N ATOM 804 CA TRP A 71 11.883 11.023 -8.414 1.00 3.24 C ATOM 805 C TRP A 71 10.902 11.577 -9.442 1.00 52.50 C ATOM 806 O TRP A 71 11.301 11.974 -10.536 1.00 43.24 O ATOM 807 CB TRP A 71 11.977 9.496 -8.526 1.00 51.32 C ATOM 808 CG TRP A 71 12.953 8.874 -7.564 1.00 60.12 C ATOM 809 CD1 TRP A 71 12.816 7.672 -6.930 1.00 43.35 C ATOM 810 CD2 TRP A 71 14.204 9.422 -7.114 1.00 23.11 C ATOM 811 NE1 TRP A 71 13.903 7.433 -6.125 1.00 13.24 N ATOM 812 CE2 TRP A 71 14.765 8.492 -6.216 1.00 72.13 C ATOM 813 CE3 TRP A 71 14.907 10.602 -7.381 1.00 1.50 C ATOM 814 CZ2 TRP A 71 15.986 8.709 -5.585 1.00 2.32 C ATOM 815 CZ3 TRP A 71 16.118 10.813 -6.753 1.00 35.02 C ATOM 816 CH2 TRP A 71 16.647 9.871 -5.864 1.00 21.10 C ATOM 0 H TRP A 71 11.120 10.679 -6.490 1.00 5.14 H new ATOM 0 HA TRP A 71 12.870 11.436 -8.620 1.00 3.24 H new ATOM 0 HB2 TRP A 71 10.990 9.067 -8.355 1.00 51.32 H new ATOM 0 HB3 TRP A 71 12.267 9.233 -9.543 1.00 51.32 H new ATOM 0 HD1 TRP A 71 11.974 7.005 -7.045 1.00 43.35 H new ATOM 0 HE1 TRP A 71 14.045 6.601 -5.552 1.00 13.24 H new ATOM 0 HE3 TRP A 71 14.509 11.335 -8.067 1.00 1.50 H new ATOM 0 HZ2 TRP A 71 16.397 7.984 -4.898 1.00 2.32 H new ATOM 0 HZ3 TRP A 71 16.667 11.722 -6.951 1.00 35.02 H new ATOM 0 HH2 TRP A 71 17.597 10.067 -5.389 1.00 21.10 H new ATOM 827 N ILE A 72 9.623 11.630 -9.080 1.00 14.52 N ATOM 828 CA ILE A 72 8.611 12.218 -9.955 1.00 15.40 C ATOM 829 C ILE A 72 8.847 13.719 -10.098 1.00 34.22 C ATOM 830 O ILE A 72 8.641 14.290 -11.168 1.00 61.44 O ATOM 831 CB ILE A 72 7.174 11.965 -9.443 1.00 41.40 C ATOM 832 CG1 ILE A 72 6.912 10.462 -9.315 1.00 65.44 C ATOM 833 CG2 ILE A 72 6.151 12.600 -10.378 1.00 20.12 C ATOM 834 CD1 ILE A 72 7.138 9.690 -10.598 1.00 33.43 C ATOM 0 H ILE A 72 9.264 11.276 -8.193 1.00 14.52 H new ATOM 0 HA ILE A 72 8.706 11.733 -10.926 1.00 15.40 H new ATOM 0 HB ILE A 72 7.074 12.424 -8.459 1.00 41.40 H new ATOM 0 HG12 ILE A 72 7.559 10.055 -8.538 1.00 65.44 H new ATOM 0 HG13 ILE A 72 5.884 10.309 -8.986 1.00 65.44 H new ATOM 0 HG21 ILE A 72 5.146 12.411 -10.000 1.00 20.12 H new ATOM 0 HG22 ILE A 72 6.323 13.675 -10.429 1.00 20.12 H new ATOM 0 HG23 ILE A 72 6.251 12.169 -11.374 1.00 20.12 H new ATOM 0 HD11 ILE A 72 6.932 8.633 -10.428 1.00 33.43 H new ATOM 0 HD12 ILE A 72 6.472 10.069 -11.373 1.00 33.43 H new ATOM 0 HD13 ILE A 72 8.173 9.811 -10.918 1.00 33.43 H new ATOM 846 N LYS A 73 9.305 14.346 -9.018 1.00 11.23 N ATOM 847 CA LYS A 73 9.666 15.761 -9.037 1.00 13.14 C ATOM 848 C LYS A 73 10.834 15.994 -9.997 1.00 23.14 C ATOM 849 O LYS A 73 11.033 17.095 -10.502 1.00 2.44 O ATOM 850 CB LYS A 73 10.039 16.229 -7.624 1.00 45.10 C ATOM 851 CG LYS A 73 10.366 17.715 -7.525 1.00 23.21 C ATOM 852 CD LYS A 73 10.807 18.103 -6.120 1.00 4.42 C ATOM 853 CE LYS A 73 9.706 17.872 -5.096 1.00 63.14 C ATOM 854 NZ LYS A 73 8.556 18.794 -5.293 1.00 42.42 N ATOM 0 H LYS A 73 9.436 13.893 -8.113 1.00 11.23 H new ATOM 0 HA LYS A 73 8.809 16.339 -9.383 1.00 13.14 H new ATOM 0 HB2 LYS A 73 9.213 16.004 -6.949 1.00 45.10 H new ATOM 0 HB3 LYS A 73 10.899 15.655 -7.278 1.00 45.10 H new ATOM 0 HG2 LYS A 73 11.155 17.962 -8.235 1.00 23.21 H new ATOM 0 HG3 LYS A 73 9.490 18.300 -7.806 1.00 23.21 H new ATOM 0 HD2 LYS A 73 11.688 17.524 -5.843 1.00 4.42 H new ATOM 0 HD3 LYS A 73 11.099 19.153 -6.108 1.00 4.42 H new ATOM 0 HE2 LYS A 73 9.359 16.841 -5.164 1.00 63.14 H new ATOM 0 HE3 LYS A 73 10.110 18.007 -4.093 1.00 63.14 H new ATOM 0 HZ1 LYS A 73 7.884 18.684 -4.507 1.00 42.42 H new ATOM 0 HZ2 LYS A 73 8.899 19.775 -5.321 1.00 42.42 H new ATOM 0 HZ3 LYS A 73 8.079 18.568 -6.189 1.00 42.42 H new ATOM 868 N THR A 74 11.595 14.939 -10.248 1.00 25.23 N ATOM 869 CA THR A 74 12.727 15.007 -11.158 1.00 32.10 C ATOM 870 C THR A 74 12.287 14.668 -12.587 1.00 1.21 C ATOM 871 O THR A 74 12.968 14.994 -13.561 1.00 62.13 O ATOM 872 CB THR A 74 13.845 14.045 -10.702 1.00 70.20 C ATOM 873 OG1 THR A 74 14.119 14.254 -9.308 1.00 55.01 O ATOM 874 CG2 THR A 74 15.124 14.263 -11.498 1.00 70.41 C ATOM 0 H THR A 74 11.447 14.020 -9.831 1.00 25.23 H new ATOM 0 HA THR A 74 13.117 16.025 -11.146 1.00 32.10 H new ATOM 0 HB THR A 74 13.502 13.025 -10.873 1.00 70.20 H new ATOM 0 HG1 THR A 74 13.362 13.934 -8.774 1.00 55.01 H new ATOM 0 HG21 THR A 74 15.891 13.570 -11.152 1.00 70.41 H new ATOM 0 HG22 THR A 74 14.928 14.089 -12.556 1.00 70.41 H new ATOM 0 HG23 THR A 74 15.470 15.287 -11.357 1.00 70.41 H new ATOM 882 N TYR A 75 11.133 14.019 -12.705 1.00 53.34 N ATOM 883 CA TYR A 75 10.582 13.662 -14.005 1.00 31.21 C ATOM 884 C TYR A 75 9.926 14.875 -14.660 1.00 62.34 C ATOM 885 O TYR A 75 10.028 15.070 -15.872 1.00 12.33 O ATOM 886 CB TYR A 75 9.566 12.523 -13.847 1.00 71.05 C ATOM 887 CG TYR A 75 8.867 12.134 -15.129 1.00 1.32 C ATOM 888 CD1 TYR A 75 9.526 11.406 -16.112 1.00 24.43 C ATOM 889 CD2 TYR A 75 7.544 12.491 -15.355 1.00 54.53 C ATOM 890 CE1 TYR A 75 8.886 11.048 -17.283 1.00 4.40 C ATOM 891 CE2 TYR A 75 6.899 12.137 -16.522 1.00 61.31 C ATOM 892 CZ TYR A 75 7.574 11.416 -17.482 1.00 33.11 C ATOM 893 OH TYR A 75 6.931 11.061 -18.644 1.00 70.34 O ATOM 0 H TYR A 75 10.560 13.729 -11.912 1.00 53.34 H new ATOM 0 HA TYR A 75 11.393 13.324 -14.649 1.00 31.21 H new ATOM 0 HB2 TYR A 75 10.077 11.648 -13.445 1.00 71.05 H new ATOM 0 HB3 TYR A 75 8.816 12.819 -13.113 1.00 71.05 H new ATOM 0 HD1 TYR A 75 10.555 11.115 -15.958 1.00 24.43 H new ATOM 0 HD2 TYR A 75 7.011 13.055 -14.604 1.00 54.53 H new ATOM 0 HE1 TYR A 75 9.412 10.483 -18.038 1.00 4.40 H new ATOM 0 HE2 TYR A 75 5.870 12.424 -16.682 1.00 61.31 H new ATOM 0 HH TYR A 75 6.011 11.398 -18.625 1.00 70.34 H new