USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 1000 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 112 THR OG1 : rot 64:sc= 0.276 USER MOD Set 1.2: A 115 THR OG1 : rot -80:sc= -2.13! USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 58:sc= 1.03 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0408 X(o=-0.041,f=-0.16) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -1.35 K(o=-1.3,f=-1.9!) USER MOD Single : A 32 ASN : amide:sc= 0.211 K(o=0.21,f=-5.4!) USER MOD Single : A 44 ASN : amide:sc= 0.124 X(o=0.12,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0988 X(o=-0.099,f=-0.12) USER MOD Single : A 51 TYR OH : rot 89:sc= -3.48! USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 60 MET CE :methyl -175:sc= 0 (180deg=-0.0563) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.0663 F(o=-2.9!,f=-0.066) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 110:sc= 0.801 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -59:sc= 0.572 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -160:sc= -0.0851 (180deg=-0.552) USER MOD Single : A 94 ASN : amide:sc= -0.552 X(o=-0.55,f=-0.86) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.908 F(o=-6.8!,f=-0.91) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -3.54 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= -0.0649 X(o=-0.065,f=0) USER MOD Single : A 122 LYS NZ :NH3+ -157:sc= -0.0466 (180deg=-0.423) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl -172:sc= 0 (180deg=-0.133) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.328 0.010 8.328 1.00 0.00 N ATOM 2 CA ALA A 2 -13.077 0.591 8.892 1.00 0.00 C ATOM 3 C ALA A 2 -12.896 2.015 8.363 1.00 0.00 C ATOM 4 O ALA A 2 -12.108 2.261 7.472 1.00 0.00 O ATOM 5 CB ALA A 2 -11.882 -0.265 8.470 1.00 0.00 C ATOM 0 HA ALA A 2 -13.142 0.611 9.980 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.967 0.160 8.882 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.012 -1.281 8.844 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.815 -0.285 7.382 1.00 0.00 H new ATOM 11 N ASP A 3 -13.623 2.956 8.902 1.00 0.00 N ATOM 12 CA ASP A 3 -13.496 4.362 8.427 1.00 0.00 C ATOM 13 C ASP A 3 -13.673 4.403 6.908 1.00 0.00 C ATOM 14 O ASP A 3 -12.764 4.117 6.160 1.00 0.00 O ATOM 15 CB ASP A 3 -12.114 4.905 8.799 1.00 0.00 C ATOM 16 CG ASP A 3 -12.272 6.166 9.651 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.018 7.042 9.245 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.646 6.234 10.696 1.00 0.00 O ATOM 0 H ASP A 3 -14.300 2.811 9.651 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.263 4.977 8.898 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.551 4.150 9.349 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.546 5.132 7.897 1.00 0.00 H new ATOM 23 N LYS A 4 -14.838 4.758 6.448 1.00 0.00 N ATOM 24 CA LYS A 4 -15.082 4.818 4.978 1.00 0.00 C ATOM 25 C LYS A 4 -14.361 6.038 4.399 1.00 0.00 C ATOM 26 O LYS A 4 -14.809 6.655 3.452 1.00 0.00 O ATOM 27 CB LYS A 4 -16.591 4.922 4.727 1.00 0.00 C ATOM 28 CG LYS A 4 -17.170 3.527 4.474 1.00 0.00 C ATOM 29 CD LYS A 4 -18.670 3.638 4.194 1.00 0.00 C ATOM 30 CE LYS A 4 -19.242 2.249 3.899 1.00 0.00 C ATOM 31 NZ LYS A 4 -20.491 2.388 3.098 1.00 0.00 N ATOM 0 H LYS A 4 -15.638 5.011 7.029 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.701 3.919 4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.082 5.379 5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.783 5.567 3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.665 3.060 3.628 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.998 2.888 5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.179 4.077 5.052 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.844 4.301 3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.512 1.651 3.354 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.451 1.724 4.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.881 1.445 2.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -21.188 2.943 3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.277 2.873 2.203 1.00 0.00 H new ATOM 45 N GLU A 5 -13.241 6.388 4.960 1.00 0.00 N ATOM 46 CA GLU A 5 -12.484 7.559 4.448 1.00 0.00 C ATOM 47 C GLU A 5 -11.009 7.397 4.815 1.00 0.00 C ATOM 48 O GLU A 5 -10.318 8.363 5.069 1.00 0.00 O ATOM 49 CB GLU A 5 -13.025 8.843 5.085 1.00 0.00 C ATOM 50 CG GLU A 5 -14.416 9.159 4.527 1.00 0.00 C ATOM 51 CD GLU A 5 -14.812 10.583 4.922 1.00 0.00 C ATOM 52 OE1 GLU A 5 -14.040 11.220 5.619 1.00 0.00 O ATOM 53 OE2 GLU A 5 -15.881 11.013 4.520 1.00 0.00 O ATOM 0 H GLU A 5 -12.815 5.911 5.755 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.595 7.620 3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.076 8.728 6.168 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.347 9.672 4.884 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.416 9.058 3.442 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.145 8.447 4.913 1.00 0.00 H new ATOM 60 N LEU A 6 -10.515 6.186 4.847 1.00 0.00 N ATOM 61 CA LEU A 6 -9.089 5.993 5.201 1.00 0.00 C ATOM 62 C LEU A 6 -8.235 6.524 4.048 1.00 0.00 C ATOM 63 O LEU A 6 -8.508 6.265 2.896 1.00 0.00 O ATOM 64 CB LEU A 6 -8.839 4.503 5.448 1.00 0.00 C ATOM 65 CG LEU A 6 -7.418 4.256 5.972 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.200 4.997 7.289 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.242 2.757 6.210 1.00 0.00 C ATOM 0 H LEU A 6 -11.037 5.333 4.644 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.826 6.535 6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.565 4.124 6.167 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.989 3.948 4.522 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.696 4.618 5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.187 4.812 7.648 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.339 6.067 7.132 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.917 4.642 8.029 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.236 2.563 6.583 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.973 2.417 6.944 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.391 2.220 5.273 1.00 0.00 H new ATOM 79 N LYS A 7 -7.230 7.302 4.343 1.00 0.00 N ATOM 80 CA LYS A 7 -6.393 7.886 3.255 1.00 0.00 C ATOM 81 C LYS A 7 -5.438 6.842 2.669 1.00 0.00 C ATOM 82 O LYS A 7 -4.564 6.333 3.348 1.00 0.00 O ATOM 83 CB LYS A 7 -5.585 9.055 3.819 1.00 0.00 C ATOM 84 CG LYS A 7 -6.412 10.339 3.718 1.00 0.00 C ATOM 85 CD LYS A 7 -5.766 11.436 4.566 1.00 0.00 C ATOM 86 CE LYS A 7 -6.536 12.745 4.378 1.00 0.00 C ATOM 87 NZ LYS A 7 -5.841 13.841 5.111 1.00 0.00 N ATOM 0 H LYS A 7 -6.952 7.559 5.290 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.052 8.230 2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.320 8.861 4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.651 9.166 3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.477 10.660 2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.431 10.155 4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.769 11.147 5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.724 11.569 4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.606 12.989 3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.556 12.636 4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.364 14.731 4.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.797 13.608 6.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.876 13.950 4.738 1.00 0.00 H new ATOM 101 N PHE A 8 -5.591 6.539 1.402 1.00 0.00 N ATOM 102 CA PHE A 8 -4.695 5.553 0.743 1.00 0.00 C ATOM 103 C PHE A 8 -3.726 6.292 -0.170 1.00 0.00 C ATOM 104 O PHE A 8 -4.043 7.338 -0.698 1.00 0.00 O ATOM 105 CB PHE A 8 -5.514 4.607 -0.140 1.00 0.00 C ATOM 106 CG PHE A 8 -6.382 3.704 0.699 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.609 4.167 1.170 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.965 2.401 0.994 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.423 3.332 1.939 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.782 1.562 1.768 1.00 0.00 C ATOM 111 CZ PHE A 8 -8.010 2.030 2.239 1.00 0.00 C ATOM 0 H PHE A 8 -6.307 6.940 0.796 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.167 4.994 1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.137 5.187 -0.821 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.844 4.006 -0.755 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.931 5.172 0.940 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.015 2.041 0.626 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.374 3.693 2.303 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.461 0.557 1.999 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.641 1.387 2.835 1.00 0.00 H new ATOM 121 N LEU A 9 -2.567 5.734 -0.393 1.00 0.00 N ATOM 122 CA LEU A 9 -1.592 6.376 -1.322 1.00 0.00 C ATOM 123 C LEU A 9 -1.175 5.341 -2.365 1.00 0.00 C ATOM 124 O LEU A 9 -0.506 4.373 -2.057 1.00 0.00 O ATOM 125 CB LEU A 9 -0.359 6.870 -0.559 1.00 0.00 C ATOM 126 CG LEU A 9 0.715 7.348 -1.553 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.114 8.365 -2.523 1.00 0.00 C ATOM 128 CD2 LEU A 9 1.859 8.008 -0.792 1.00 0.00 C ATOM 0 H LEU A 9 -2.252 4.860 0.028 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.057 7.237 -1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.637 7.685 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.040 6.069 0.063 1.00 0.00 H new ATOM 0 HG LEU A 9 1.087 6.488 -2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.881 8.698 -3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.704 7.902 -3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.264 9.221 -1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.618 8.346 -1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.478 8.862 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.300 7.289 -0.102 1.00 0.00 H new ATOM 140 N VAL A 10 -1.576 5.529 -3.592 1.00 0.00 N ATOM 141 CA VAL A 10 -1.217 4.548 -4.656 1.00 0.00 C ATOM 142 C VAL A 10 0.005 5.051 -5.435 1.00 0.00 C ATOM 143 O VAL A 10 -0.040 6.079 -6.082 1.00 0.00 O ATOM 144 CB VAL A 10 -2.411 4.380 -5.598 1.00 0.00 C ATOM 145 CG1 VAL A 10 -2.662 2.893 -5.847 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.656 4.996 -4.952 1.00 0.00 C ATOM 0 H VAL A 10 -2.138 6.321 -3.905 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.971 3.586 -4.206 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.198 4.879 -6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.513 2.775 -6.518 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.777 2.446 -6.300 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.875 2.396 -4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.509 4.878 -5.620 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.863 4.492 -4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.483 6.056 -4.768 1.00 0.00 H new ATOM 156 N VAL A 11 1.098 4.328 -5.365 1.00 0.00 N ATOM 157 CA VAL A 11 2.337 4.738 -6.079 1.00 0.00 C ATOM 158 C VAL A 11 2.730 3.667 -7.097 1.00 0.00 C ATOM 159 O VAL A 11 3.141 2.581 -6.737 1.00 0.00 O ATOM 160 CB VAL A 11 3.471 4.899 -5.064 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.743 5.368 -5.777 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.067 5.929 -4.008 1.00 0.00 C ATOM 0 H VAL A 11 1.179 3.460 -4.835 1.00 0.00 H new ATOM 0 HA VAL A 11 2.158 5.681 -6.596 1.00 0.00 H new ATOM 0 HB VAL A 11 3.663 3.940 -4.583 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.547 5.481 -5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.033 4.632 -6.527 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.556 6.326 -6.263 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.874 6.044 -3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.872 6.887 -4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.166 5.591 -3.496 1.00 0.00 H new ATOM 172 N ASP A 12 2.615 3.956 -8.367 1.00 0.00 N ATOM 173 CA ASP A 12 2.992 2.941 -9.397 1.00 0.00 C ATOM 174 C ASP A 12 2.838 3.531 -10.800 1.00 0.00 C ATOM 175 O ASP A 12 1.771 3.979 -11.172 1.00 0.00 O ATOM 176 CB ASP A 12 2.071 1.717 -9.284 1.00 0.00 C ATOM 177 CG ASP A 12 2.880 0.442 -9.528 1.00 0.00 C ATOM 178 OD1 ASP A 12 3.941 0.313 -8.942 1.00 0.00 O ATOM 179 OD2 ASP A 12 2.423 -0.386 -10.299 1.00 0.00 O ATOM 0 H ASP A 12 2.278 4.846 -8.735 1.00 0.00 H new ATOM 0 HA ASP A 12 4.029 2.649 -9.229 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.612 1.685 -8.296 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.261 1.790 -10.010 1.00 0.00 H new ATOM 184 N ASP A 13 3.878 3.507 -11.597 1.00 0.00 N ATOM 185 CA ASP A 13 3.748 4.037 -12.984 1.00 0.00 C ATOM 186 C ASP A 13 2.511 3.382 -13.593 1.00 0.00 C ATOM 187 O ASP A 13 2.205 2.246 -13.291 1.00 0.00 O ATOM 188 CB ASP A 13 4.990 3.670 -13.800 1.00 0.00 C ATOM 189 CG ASP A 13 5.882 4.902 -13.955 1.00 0.00 C ATOM 190 OD1 ASP A 13 6.218 5.497 -12.944 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.215 5.230 -15.082 1.00 0.00 O ATOM 0 H ASP A 13 4.800 3.147 -11.349 1.00 0.00 H new ATOM 0 HA ASP A 13 3.654 5.123 -12.982 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.540 2.870 -13.305 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.696 3.295 -14.780 1.00 0.00 H new ATOM 196 N PHE A 14 1.762 4.074 -14.405 1.00 0.00 N ATOM 197 CA PHE A 14 0.529 3.433 -14.946 1.00 0.00 C ATOM 198 C PHE A 14 -0.142 4.286 -16.026 1.00 0.00 C ATOM 199 O PHE A 14 0.456 5.117 -16.681 1.00 0.00 O ATOM 200 CB PHE A 14 -0.480 3.272 -13.793 1.00 0.00 C ATOM 201 CG PHE A 14 -1.296 4.552 -13.646 1.00 0.00 C ATOM 202 CD1 PHE A 14 -0.676 5.805 -13.729 1.00 0.00 C ATOM 203 CD2 PHE A 14 -2.675 4.480 -13.453 1.00 0.00 C ATOM 204 CE1 PHE A 14 -1.433 6.978 -13.619 1.00 0.00 C ATOM 205 CE2 PHE A 14 -3.436 5.649 -13.339 1.00 0.00 C ATOM 206 CZ PHE A 14 -2.815 6.900 -13.424 1.00 0.00 C ATOM 0 H PHE A 14 1.941 5.030 -14.712 1.00 0.00 H new ATOM 0 HA PHE A 14 0.817 2.478 -15.385 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.141 2.428 -13.990 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.046 3.055 -12.863 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.392 5.867 -13.879 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.159 3.516 -13.391 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.950 7.942 -13.685 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.503 5.585 -13.185 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.402 7.803 -13.339 1.00 0.00 H new ATOM 216 N SER A 15 -1.418 4.065 -16.156 1.00 0.00 N ATOM 217 CA SER A 15 -2.284 4.792 -17.113 1.00 0.00 C ATOM 218 C SER A 15 -3.666 4.167 -16.949 1.00 0.00 C ATOM 219 O SER A 15 -4.529 4.274 -17.797 1.00 0.00 O ATOM 220 CB SER A 15 -1.780 4.593 -18.546 1.00 0.00 C ATOM 221 OG SER A 15 -2.735 3.836 -19.278 1.00 0.00 O ATOM 0 H SER A 15 -1.919 3.369 -15.604 1.00 0.00 H new ATOM 0 HA SER A 15 -2.292 5.865 -16.924 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.620 5.559 -19.025 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.819 4.078 -18.538 1.00 0.00 H new ATOM 0 HG SER A 15 -3.597 4.301 -19.270 1.00 0.00 H new ATOM 227 N THR A 16 -3.842 3.456 -15.856 1.00 0.00 N ATOM 228 CA THR A 16 -5.124 2.738 -15.597 1.00 0.00 C ATOM 229 C THR A 16 -5.124 2.164 -14.172 1.00 0.00 C ATOM 230 O THR A 16 -6.062 2.331 -13.423 1.00 0.00 O ATOM 231 CB THR A 16 -5.212 1.574 -16.580 1.00 0.00 C ATOM 232 OG1 THR A 16 -5.871 0.486 -15.947 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.792 1.146 -16.985 1.00 0.00 C ATOM 0 H THR A 16 -3.138 3.345 -15.126 1.00 0.00 H new ATOM 0 HA THR A 16 -5.963 3.424 -15.712 1.00 0.00 H new ATOM 0 HB THR A 16 -5.768 1.876 -17.468 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.934 -0.267 -16.572 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.849 0.314 -17.687 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.280 1.985 -17.456 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.239 0.835 -16.099 1.00 0.00 H new ATOM 241 N MET A 17 -4.064 1.488 -13.806 1.00 0.00 N ATOM 242 CA MET A 17 -3.950 0.887 -12.444 1.00 0.00 C ATOM 243 C MET A 17 -4.539 1.825 -11.382 1.00 0.00 C ATOM 244 O MET A 17 -5.634 1.613 -10.903 1.00 0.00 O ATOM 245 CB MET A 17 -2.469 0.649 -12.138 1.00 0.00 C ATOM 246 CG MET A 17 -2.328 -0.174 -10.858 1.00 0.00 C ATOM 247 SD MET A 17 -0.584 -0.252 -10.384 1.00 0.00 S ATOM 248 CE MET A 17 -0.827 -0.974 -8.743 1.00 0.00 C ATOM 0 H MET A 17 -3.257 1.325 -14.408 1.00 0.00 H new ATOM 0 HA MET A 17 -4.504 -0.051 -12.422 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.996 0.127 -12.970 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.954 1.603 -12.026 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.914 0.276 -10.057 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.719 -1.179 -11.014 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.140 -1.112 -8.259 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.443 -0.307 -8.140 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.325 -1.939 -8.840 1.00 0.00 H new ATOM 258 N ARG A 18 -3.810 2.842 -10.992 1.00 0.00 N ATOM 259 CA ARG A 18 -4.326 3.772 -9.943 1.00 0.00 C ATOM 260 C ARG A 18 -5.799 4.107 -10.202 1.00 0.00 C ATOM 261 O ARG A 18 -6.552 4.353 -9.281 1.00 0.00 O ATOM 262 CB ARG A 18 -3.504 5.064 -9.933 1.00 0.00 C ATOM 263 CG ARG A 18 -2.012 4.729 -10.008 1.00 0.00 C ATOM 264 CD ARG A 18 -1.190 5.987 -9.718 1.00 0.00 C ATOM 265 NE ARG A 18 -1.387 6.971 -10.819 1.00 0.00 N ATOM 266 CZ ARG A 18 -0.800 8.136 -10.769 1.00 0.00 C ATOM 267 NH1 ARG A 18 0.480 8.213 -10.529 1.00 0.00 N ATOM 268 NH2 ARG A 18 -1.495 9.224 -10.961 1.00 0.00 N ATOM 0 H ARG A 18 -2.883 3.067 -11.354 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.238 3.280 -8.975 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.788 5.693 -10.777 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.714 5.632 -9.027 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.767 3.948 -9.288 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.765 4.340 -10.996 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.495 6.423 -8.767 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.134 5.732 -9.628 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.982 6.734 -11.613 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.023 7.362 -10.380 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.938 9.124 -10.490 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.496 9.163 -11.150 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.038 10.135 -10.922 1.00 0.00 H new ATOM 282 N ARG A 19 -6.231 4.118 -11.439 1.00 0.00 N ATOM 283 CA ARG A 19 -7.662 4.440 -11.705 1.00 0.00 C ATOM 284 C ARG A 19 -8.520 3.199 -11.447 1.00 0.00 C ATOM 285 O ARG A 19 -9.668 3.296 -11.064 1.00 0.00 O ATOM 286 CB ARG A 19 -7.839 4.903 -13.156 1.00 0.00 C ATOM 287 CG ARG A 19 -9.333 5.044 -13.467 1.00 0.00 C ATOM 288 CD ARG A 19 -9.835 3.817 -14.240 1.00 0.00 C ATOM 289 NE ARG A 19 -11.301 3.663 -14.020 1.00 0.00 N ATOM 290 CZ ARG A 19 -12.140 4.425 -14.663 1.00 0.00 C ATOM 291 NH1 ARG A 19 -11.882 4.791 -15.889 1.00 0.00 N ATOM 292 NH2 ARG A 19 -13.238 4.824 -14.080 1.00 0.00 N ATOM 0 H ARG A 19 -5.663 3.921 -12.263 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.977 5.244 -11.040 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.333 5.856 -13.309 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.381 4.186 -13.837 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.896 5.153 -12.540 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.506 5.947 -14.053 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.625 3.932 -15.303 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.309 2.922 -13.906 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.648 2.961 -13.366 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.024 4.481 -16.344 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.539 5.387 -16.392 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.439 4.539 -13.121 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.895 5.420 -14.583 1.00 0.00 H new ATOM 306 N ILE A 20 -7.972 2.032 -11.653 1.00 0.00 N ATOM 307 CA ILE A 20 -8.755 0.785 -11.420 1.00 0.00 C ATOM 308 C ILE A 20 -8.995 0.605 -9.918 1.00 0.00 C ATOM 309 O ILE A 20 -10.104 0.368 -9.481 1.00 0.00 O ATOM 310 CB ILE A 20 -7.970 -0.416 -11.967 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.357 -0.649 -13.431 1.00 0.00 C ATOM 312 CG2 ILE A 20 -8.288 -1.676 -11.153 1.00 0.00 C ATOM 313 CD1 ILE A 20 -7.364 -1.618 -14.075 1.00 0.00 C ATOM 0 H ILE A 20 -7.014 1.888 -11.973 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.715 0.854 -11.931 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.903 -0.205 -11.892 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.367 -1.054 -13.491 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.361 0.297 -13.972 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.724 -2.519 -11.552 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.011 -1.515 -10.111 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.355 -1.890 -11.216 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.640 -1.783 -15.116 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.361 -1.195 -14.028 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.383 -2.567 -13.540 1.00 0.00 H new ATOM 325 N VAL A 21 -7.963 0.703 -9.128 1.00 0.00 N ATOM 326 CA VAL A 21 -8.130 0.526 -7.657 1.00 0.00 C ATOM 327 C VAL A 21 -8.964 1.676 -7.089 1.00 0.00 C ATOM 328 O VAL A 21 -9.752 1.491 -6.183 1.00 0.00 O ATOM 329 CB VAL A 21 -6.758 0.504 -6.982 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.442 -0.919 -6.518 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.693 0.957 -7.979 1.00 0.00 C ATOM 0 H VAL A 21 -7.010 0.898 -9.436 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.641 -0.417 -7.465 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.765 1.176 -6.124 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.464 -0.936 -6.037 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.201 -1.247 -5.808 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.435 -1.589 -7.378 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.715 0.942 -7.498 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.687 0.284 -8.836 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.916 1.970 -8.315 1.00 0.00 H new ATOM 341 N ARG A 22 -8.804 2.859 -7.615 1.00 0.00 N ATOM 342 CA ARG A 22 -9.597 4.015 -7.106 1.00 0.00 C ATOM 343 C ARG A 22 -11.062 3.600 -6.986 1.00 0.00 C ATOM 344 O ARG A 22 -11.670 3.714 -5.942 1.00 0.00 O ATOM 345 CB ARG A 22 -9.488 5.178 -8.092 1.00 0.00 C ATOM 346 CG ARG A 22 -8.580 6.263 -7.512 1.00 0.00 C ATOM 347 CD ARG A 22 -8.478 7.428 -8.500 1.00 0.00 C ATOM 348 NE ARG A 22 -7.504 7.084 -9.574 1.00 0.00 N ATOM 349 CZ ARG A 22 -7.221 7.956 -10.504 1.00 0.00 C ATOM 350 NH1 ARG A 22 -7.934 8.000 -11.596 1.00 0.00 N ATOM 351 NH2 ARG A 22 -6.225 8.784 -10.342 1.00 0.00 N ATOM 0 H ARG A 22 -8.159 3.076 -8.375 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.215 4.322 -6.132 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.088 4.825 -9.042 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.477 5.589 -8.296 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.978 6.614 -6.560 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.589 5.854 -7.312 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.456 7.637 -8.934 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.159 8.332 -7.981 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.058 6.167 -9.583 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.712 7.353 -11.723 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.713 8.681 -12.322 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.667 8.750 -9.489 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.004 9.465 -11.069 1.00 0.00 H new ATOM 365 N ASN A 23 -11.622 3.102 -8.051 1.00 0.00 N ATOM 366 CA ASN A 23 -13.028 2.657 -8.030 1.00 0.00 C ATOM 367 C ASN A 23 -13.172 1.538 -7.012 1.00 0.00 C ATOM 368 O ASN A 23 -13.958 1.608 -6.091 1.00 0.00 O ATOM 369 CB ASN A 23 -13.340 2.104 -9.406 1.00 0.00 C ATOM 370 CG ASN A 23 -14.698 2.617 -9.887 1.00 0.00 C ATOM 371 OD1 ASN A 23 -14.952 3.806 -9.870 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.587 1.766 -10.318 1.00 0.00 N ATOM 0 H ASN A 23 -11.150 2.985 -8.948 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.698 3.477 -7.771 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.562 2.400 -10.110 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.345 1.014 -9.375 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.496 2.098 -10.641 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.374 0.769 -10.332 1.00 0.00 H new ATOM 379 N LEU A 24 -12.397 0.509 -7.201 1.00 0.00 N ATOM 380 CA LEU A 24 -12.419 -0.669 -6.282 1.00 0.00 C ATOM 381 C LEU A 24 -12.633 -0.200 -4.837 1.00 0.00 C ATOM 382 O LEU A 24 -13.663 -0.444 -4.245 1.00 0.00 O ATOM 383 CB LEU A 24 -11.071 -1.379 -6.408 1.00 0.00 C ATOM 384 CG LEU A 24 -11.118 -2.774 -5.752 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.873 -3.862 -6.806 1.00 0.00 C ATOM 386 CD2 LEU A 24 -10.031 -2.893 -4.677 1.00 0.00 C ATOM 0 H LEU A 24 -11.733 0.430 -7.971 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.232 -1.345 -6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.804 -1.477 -7.460 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.294 -0.778 -5.937 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.102 -2.903 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.908 -4.843 -6.332 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.643 -3.803 -7.575 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.893 -3.714 -7.261 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.076 -3.883 -4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.051 -2.747 -5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.192 -2.134 -3.911 1.00 0.00 H new ATOM 398 N LEU A 25 -11.678 0.486 -4.268 1.00 0.00 N ATOM 399 CA LEU A 25 -11.847 0.977 -2.867 1.00 0.00 C ATOM 400 C LEU A 25 -13.129 1.804 -2.781 1.00 0.00 C ATOM 401 O LEU A 25 -13.894 1.682 -1.844 1.00 0.00 O ATOM 402 CB LEU A 25 -10.644 1.845 -2.479 1.00 0.00 C ATOM 403 CG LEU A 25 -9.538 0.959 -1.900 1.00 0.00 C ATOM 404 CD1 LEU A 25 -8.174 1.589 -2.189 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.729 0.833 -0.388 1.00 0.00 C ATOM 0 H LEU A 25 -10.791 0.728 -4.710 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.911 0.130 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.274 2.383 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.944 2.595 -1.747 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.586 -0.029 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.387 0.958 -1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.037 1.682 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.125 2.577 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.943 0.202 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.680 1.822 0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.701 0.385 -0.180 1.00 0.00 H new ATOM 417 N LYS A 26 -13.375 2.642 -3.748 1.00 0.00 N ATOM 418 CA LYS A 26 -14.608 3.464 -3.715 1.00 0.00 C ATOM 419 C LYS A 26 -15.828 2.543 -3.676 1.00 0.00 C ATOM 420 O LYS A 26 -16.867 2.895 -3.153 1.00 0.00 O ATOM 421 CB LYS A 26 -14.671 4.348 -4.965 1.00 0.00 C ATOM 422 CG LYS A 26 -15.567 5.559 -4.692 1.00 0.00 C ATOM 423 CD LYS A 26 -15.596 6.462 -5.928 1.00 0.00 C ATOM 424 CE LYS A 26 -16.814 7.384 -5.857 1.00 0.00 C ATOM 425 NZ LYS A 26 -16.462 8.721 -6.414 1.00 0.00 N ATOM 0 H LYS A 26 -12.774 2.791 -4.558 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.600 4.097 -2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -13.669 4.678 -5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.061 3.777 -5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.576 5.230 -4.445 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.194 6.114 -3.832 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -14.682 7.053 -5.981 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.637 5.856 -6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -17.643 6.952 -6.418 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -17.146 7.485 -4.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -17.291 9.347 -6.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.684 9.134 -5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -16.165 8.617 -7.405 1.00 0.00 H new ATOM 439 N GLU A 27 -15.714 1.361 -4.227 1.00 0.00 N ATOM 440 CA GLU A 27 -16.867 0.424 -4.218 1.00 0.00 C ATOM 441 C GLU A 27 -17.369 0.260 -2.788 1.00 0.00 C ATOM 442 O GLU A 27 -18.552 0.325 -2.521 1.00 0.00 O ATOM 443 CB GLU A 27 -16.436 -0.939 -4.767 1.00 0.00 C ATOM 444 CG GLU A 27 -17.670 -1.819 -4.989 1.00 0.00 C ATOM 445 CD GLU A 27 -17.838 -2.101 -6.482 1.00 0.00 C ATOM 446 OE1 GLU A 27 -17.842 -1.152 -7.248 1.00 0.00 O ATOM 447 OE2 GLU A 27 -17.959 -3.263 -6.836 1.00 0.00 O ATOM 0 H GLU A 27 -14.871 1.009 -4.681 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.663 0.825 -4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.896 -0.810 -5.705 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.753 -1.423 -4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.564 -2.756 -4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -18.559 -1.321 -4.601 1.00 0.00 H new ATOM 454 N LEU A 28 -16.476 0.050 -1.861 1.00 0.00 N ATOM 455 CA LEU A 28 -16.906 -0.115 -0.446 1.00 0.00 C ATOM 456 C LEU A 28 -17.429 1.224 0.077 1.00 0.00 C ATOM 457 O LEU A 28 -18.587 1.356 0.419 1.00 0.00 O ATOM 458 CB LEU A 28 -15.718 -0.572 0.401 1.00 0.00 C ATOM 459 CG LEU A 28 -15.259 -1.959 -0.059 1.00 0.00 C ATOM 460 CD1 LEU A 28 -13.989 -2.350 0.699 1.00 0.00 C ATOM 461 CD2 LEU A 28 -16.354 -2.997 0.216 1.00 0.00 C ATOM 0 H LEU A 28 -15.471 -0.014 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 28 -17.695 -0.864 -0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -14.899 0.141 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -16.000 -0.602 1.454 1.00 0.00 H new ATOM 0 HG LEU A 28 -15.058 -1.930 -1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.660 -3.337 0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.205 -1.621 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.196 -2.371 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -16.016 -3.979 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -16.566 -3.028 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -17.259 -2.723 -0.326 1.00 0.00 H new ATOM 473 N GLY A 29 -16.589 2.218 0.133 1.00 0.00 N ATOM 474 CA GLY A 29 -17.044 3.542 0.625 1.00 0.00 C ATOM 475 C GLY A 29 -15.851 4.442 0.982 1.00 0.00 C ATOM 476 O GLY A 29 -16.000 5.413 1.692 1.00 0.00 O ATOM 0 H GLY A 29 -15.608 2.169 -0.141 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.653 4.027 -0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.678 3.409 1.502 1.00 0.00 H new ATOM 480 N PHE A 30 -14.675 4.150 0.498 1.00 0.00 N ATOM 481 CA PHE A 30 -13.507 5.016 0.831 1.00 0.00 C ATOM 482 C PHE A 30 -13.389 6.126 -0.218 1.00 0.00 C ATOM 483 O PHE A 30 -13.299 5.859 -1.400 1.00 0.00 O ATOM 484 CB PHE A 30 -12.228 4.176 0.816 1.00 0.00 C ATOM 485 CG PHE A 30 -12.289 3.120 1.893 1.00 0.00 C ATOM 486 CD1 PHE A 30 -12.865 1.884 1.607 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.761 3.368 3.164 1.00 0.00 C ATOM 488 CE1 PHE A 30 -12.922 0.888 2.590 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.812 2.372 4.149 1.00 0.00 C ATOM 490 CZ PHE A 30 -12.394 1.133 3.862 1.00 0.00 C ATOM 0 H PHE A 30 -14.472 3.356 -0.109 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.647 5.452 1.820 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.104 3.705 -0.159 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.361 4.817 0.973 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -13.269 1.693 0.624 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.314 4.326 3.386 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -13.373 -0.068 2.366 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.402 2.561 5.130 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.436 0.366 4.622 1.00 0.00 H new ATOM 500 N ASN A 31 -13.397 7.366 0.206 1.00 0.00 N ATOM 501 CA ASN A 31 -13.293 8.500 -0.759 1.00 0.00 C ATOM 502 C ASN A 31 -12.152 9.433 -0.334 1.00 0.00 C ATOM 503 O ASN A 31 -12.370 10.551 0.090 1.00 0.00 O ATOM 504 CB ASN A 31 -14.619 9.263 -0.765 1.00 0.00 C ATOM 505 CG ASN A 31 -15.325 9.069 0.578 1.00 0.00 C ATOM 506 OD1 ASN A 31 -15.878 8.019 0.839 1.00 0.00 O ATOM 507 ND2 ASN A 31 -15.332 10.043 1.446 1.00 0.00 N ATOM 0 H ASN A 31 -13.472 7.641 1.185 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.083 8.122 -1.760 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.440 10.323 -0.944 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -15.253 8.905 -1.576 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.802 9.923 2.343 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.868 10.925 1.227 1.00 0.00 H new ATOM 514 N ASN A 32 -10.930 8.983 -0.446 1.00 0.00 N ATOM 515 CA ASN A 32 -9.776 9.841 -0.053 1.00 0.00 C ATOM 516 C ASN A 32 -8.468 9.122 -0.408 1.00 0.00 C ATOM 517 O ASN A 32 -7.987 8.284 0.327 1.00 0.00 O ATOM 518 CB ASN A 32 -9.828 10.115 1.454 1.00 0.00 C ATOM 519 CG ASN A 32 -9.592 11.605 1.708 1.00 0.00 C ATOM 520 OD1 ASN A 32 -8.556 11.990 2.215 1.00 0.00 O ATOM 521 ND2 ASN A 32 -10.515 12.466 1.376 1.00 0.00 N ATOM 0 H ASN A 32 -10.682 8.057 -0.793 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.825 10.789 -0.588 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.796 9.815 1.856 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.071 9.523 1.969 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.367 13.462 1.542 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.384 12.143 0.951 1.00 0.00 H new ATOM 528 N VAL A 33 -7.896 9.432 -1.539 1.00 0.00 N ATOM 529 CA VAL A 33 -6.628 8.758 -1.939 1.00 0.00 C ATOM 530 C VAL A 33 -5.786 9.701 -2.802 1.00 0.00 C ATOM 531 O VAL A 33 -6.315 10.517 -3.531 1.00 0.00 O ATOM 532 CB VAL A 33 -6.963 7.504 -2.747 1.00 0.00 C ATOM 533 CG1 VAL A 33 -8.049 7.837 -3.767 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.712 7.014 -3.483 1.00 0.00 C ATOM 0 H VAL A 33 -8.251 10.121 -2.202 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.065 8.489 -1.046 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.316 6.723 -2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.291 6.945 -4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.942 8.186 -3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.691 8.618 -4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.955 6.120 -4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.358 7.794 -4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.932 6.779 -2.759 1.00 0.00 H new ATOM 544 N GLU A 34 -4.483 9.573 -2.744 1.00 0.00 N ATOM 545 CA GLU A 34 -3.599 10.431 -3.581 1.00 0.00 C ATOM 546 C GLU A 34 -2.802 9.514 -4.503 1.00 0.00 C ATOM 547 O GLU A 34 -3.060 8.328 -4.573 1.00 0.00 O ATOM 548 CB GLU A 34 -2.645 11.236 -2.687 1.00 0.00 C ATOM 549 CG GLU A 34 -3.386 12.401 -2.009 1.00 0.00 C ATOM 550 CD GLU A 34 -2.498 13.647 -2.030 1.00 0.00 C ATOM 551 OE1 GLU A 34 -2.127 14.066 -3.114 1.00 0.00 O ATOM 552 OE2 GLU A 34 -2.204 14.160 -0.963 1.00 0.00 O ATOM 0 H GLU A 34 -3.994 8.905 -2.148 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.193 11.136 -4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.212 10.584 -1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.819 11.622 -3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.324 12.601 -2.527 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.638 12.138 -0.982 1.00 0.00 H new ATOM 559 N GLU A 35 -1.849 10.038 -5.219 1.00 0.00 N ATOM 560 CA GLU A 35 -1.068 9.170 -6.144 1.00 0.00 C ATOM 561 C GLU A 35 0.374 9.661 -6.244 1.00 0.00 C ATOM 562 O GLU A 35 0.704 10.762 -5.851 1.00 0.00 O ATOM 563 CB GLU A 35 -1.698 9.210 -7.542 1.00 0.00 C ATOM 564 CG GLU A 35 -3.094 8.575 -7.515 1.00 0.00 C ATOM 565 CD GLU A 35 -4.126 9.604 -7.050 1.00 0.00 C ATOM 566 OE1 GLU A 35 -3.723 10.688 -6.657 1.00 0.00 O ATOM 567 OE2 GLU A 35 -5.305 9.292 -7.095 1.00 0.00 O ATOM 0 H GLU A 35 -1.578 11.021 -5.205 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.078 8.152 -5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.767 10.241 -7.888 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.063 8.678 -8.250 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.355 8.208 -8.508 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.099 7.715 -6.846 1.00 0.00 H new ATOM 574 N ALA A 36 1.228 8.839 -6.782 1.00 0.00 N ATOM 575 CA ALA A 36 2.654 9.223 -6.934 1.00 0.00 C ATOM 576 C ALA A 36 3.214 8.510 -8.167 1.00 0.00 C ATOM 577 O ALA A 36 2.472 7.928 -8.934 1.00 0.00 O ATOM 578 CB ALA A 36 3.424 8.808 -5.682 1.00 0.00 C ATOM 0 H ALA A 36 0.995 7.908 -7.126 1.00 0.00 H new ATOM 0 HA ALA A 36 2.752 10.301 -7.060 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.472 9.088 -5.790 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.002 9.310 -4.812 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.349 7.729 -5.550 1.00 0.00 H new ATOM 584 N GLU A 37 4.504 8.561 -8.372 1.00 0.00 N ATOM 585 CA GLU A 37 5.100 7.893 -9.571 1.00 0.00 C ATOM 586 C GLU A 37 6.284 7.015 -9.157 1.00 0.00 C ATOM 587 O GLU A 37 6.910 6.386 -9.984 1.00 0.00 O ATOM 588 CB GLU A 37 5.584 8.959 -10.557 1.00 0.00 C ATOM 589 CG GLU A 37 4.555 10.088 -10.636 1.00 0.00 C ATOM 590 CD GLU A 37 4.985 11.098 -11.701 1.00 0.00 C ATOM 591 OE1 GLU A 37 4.710 10.856 -12.865 1.00 0.00 O ATOM 592 OE2 GLU A 37 5.583 12.097 -11.335 1.00 0.00 O ATOM 0 H GLU A 37 5.171 9.035 -7.763 1.00 0.00 H new ATOM 0 HA GLU A 37 4.341 7.268 -10.041 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.548 9.354 -10.237 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.731 8.517 -11.543 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.573 9.683 -10.880 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.465 10.581 -9.668 1.00 0.00 H new ATOM 599 N ASP A 38 6.598 6.961 -7.890 1.00 0.00 N ATOM 600 CA ASP A 38 7.744 6.115 -7.454 1.00 0.00 C ATOM 601 C ASP A 38 8.001 6.329 -5.964 1.00 0.00 C ATOM 602 O ASP A 38 7.368 7.146 -5.325 1.00 0.00 O ATOM 603 CB ASP A 38 8.998 6.500 -8.243 1.00 0.00 C ATOM 604 CG ASP A 38 8.936 7.985 -8.606 1.00 0.00 C ATOM 605 OD1 ASP A 38 9.249 8.797 -7.751 1.00 0.00 O ATOM 606 OD2 ASP A 38 8.577 8.285 -9.733 1.00 0.00 O ATOM 0 H ASP A 38 6.115 7.462 -7.145 1.00 0.00 H new ATOM 0 HA ASP A 38 7.506 5.067 -7.637 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.890 6.296 -7.651 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.071 5.896 -9.148 1.00 0.00 H new ATOM 611 N GLY A 39 8.928 5.602 -5.405 1.00 0.00 N ATOM 612 CA GLY A 39 9.227 5.767 -3.956 1.00 0.00 C ATOM 613 C GLY A 39 9.678 7.201 -3.692 1.00 0.00 C ATOM 614 O GLY A 39 9.209 7.849 -2.781 1.00 0.00 O ATOM 0 H GLY A 39 9.491 4.902 -5.888 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.342 5.537 -3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.006 5.067 -3.652 1.00 0.00 H new ATOM 618 N VAL A 40 10.577 7.710 -4.487 1.00 0.00 N ATOM 619 CA VAL A 40 11.038 9.108 -4.275 1.00 0.00 C ATOM 620 C VAL A 40 9.813 10.017 -4.222 1.00 0.00 C ATOM 621 O VAL A 40 9.769 10.986 -3.487 1.00 0.00 O ATOM 622 CB VAL A 40 11.945 9.532 -5.431 1.00 0.00 C ATOM 623 CG1 VAL A 40 12.441 10.960 -5.196 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.145 8.585 -5.511 1.00 0.00 C ATOM 0 H VAL A 40 11.010 7.221 -5.270 1.00 0.00 H new ATOM 0 HA VAL A 40 11.599 9.181 -3.343 1.00 0.00 H new ATOM 0 HB VAL A 40 11.384 9.491 -6.365 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.087 11.261 -6.020 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.588 11.636 -5.138 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.001 11.001 -4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.792 8.886 -6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.704 8.627 -4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.794 7.567 -5.679 1.00 0.00 H new ATOM 634 N ASP A 41 8.811 9.702 -4.995 1.00 0.00 N ATOM 635 CA ASP A 41 7.577 10.531 -4.997 1.00 0.00 C ATOM 636 C ASP A 41 6.788 10.263 -3.716 1.00 0.00 C ATOM 637 O ASP A 41 6.438 11.172 -2.991 1.00 0.00 O ATOM 638 CB ASP A 41 6.726 10.157 -6.209 1.00 0.00 C ATOM 639 CG ASP A 41 5.701 11.263 -6.477 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.678 12.219 -5.721 1.00 0.00 O ATOM 641 OD2 ASP A 41 4.957 11.132 -7.434 1.00 0.00 O ATOM 0 H ASP A 41 8.795 8.902 -5.628 1.00 0.00 H new ATOM 0 HA ASP A 41 7.840 11.588 -5.047 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.362 10.017 -7.083 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.216 9.210 -6.030 1.00 0.00 H new ATOM 646 N ALA A 42 6.509 9.021 -3.430 1.00 0.00 N ATOM 647 CA ALA A 42 5.744 8.697 -2.192 1.00 0.00 C ATOM 648 C ALA A 42 6.471 9.282 -0.981 1.00 0.00 C ATOM 649 O ALA A 42 5.920 10.059 -0.230 1.00 0.00 O ATOM 650 CB ALA A 42 5.645 7.179 -2.035 1.00 0.00 C ATOM 0 H ALA A 42 6.777 8.218 -3.999 1.00 0.00 H new ATOM 0 HA ALA A 42 4.743 9.122 -2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.086 6.943 -1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.132 6.757 -2.899 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.646 6.754 -1.964 1.00 0.00 H new ATOM 656 N LEU A 43 7.705 8.908 -0.788 1.00 0.00 N ATOM 657 CA LEU A 43 8.475 9.433 0.373 1.00 0.00 C ATOM 658 C LEU A 43 8.285 10.948 0.478 1.00 0.00 C ATOM 659 O LEU A 43 8.042 11.479 1.544 1.00 0.00 O ATOM 660 CB LEU A 43 9.959 9.122 0.175 1.00 0.00 C ATOM 661 CG LEU A 43 10.509 8.430 1.423 1.00 0.00 C ATOM 662 CD1 LEU A 43 11.990 8.106 1.218 1.00 0.00 C ATOM 663 CD2 LEU A 43 10.356 9.359 2.630 1.00 0.00 C ATOM 0 H LEU A 43 8.215 8.259 -1.387 1.00 0.00 H new ATOM 0 HA LEU A 43 8.117 8.961 1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.094 8.482 -0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.511 10.042 -0.016 1.00 0.00 H new ATOM 0 HG LEU A 43 9.956 7.508 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.381 7.613 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.102 7.446 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.543 9.028 1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.748 8.867 3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.910 10.281 2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.302 9.592 2.779 1.00 0.00 H new ATOM 675 N ASN A 44 8.403 11.651 -0.615 1.00 0.00 N ATOM 676 CA ASN A 44 8.239 13.131 -0.568 1.00 0.00 C ATOM 677 C ASN A 44 6.764 13.492 -0.362 1.00 0.00 C ATOM 678 O ASN A 44 6.443 14.496 0.243 1.00 0.00 O ATOM 679 CB ASN A 44 8.732 13.738 -1.883 1.00 0.00 C ATOM 680 CG ASN A 44 10.220 14.074 -1.762 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.585 15.225 -1.628 1.00 0.00 O ATOM 682 ND2 ASN A 44 11.100 13.112 -1.803 1.00 0.00 N ATOM 0 H ASN A 44 8.606 11.265 -1.537 1.00 0.00 H new ATOM 0 HA ASN A 44 8.822 13.528 0.263 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.572 13.037 -2.702 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.163 14.638 -2.117 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.094 13.326 -1.723 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.794 12.145 -1.915 1.00 0.00 H new ATOM 689 N LYS A 45 5.865 12.690 -0.864 1.00 0.00 N ATOM 690 CA LYS A 45 4.417 13.004 -0.697 1.00 0.00 C ATOM 691 C LYS A 45 3.882 12.368 0.589 1.00 0.00 C ATOM 692 O LYS A 45 2.761 12.606 0.986 1.00 0.00 O ATOM 693 CB LYS A 45 3.634 12.466 -1.898 1.00 0.00 C ATOM 694 CG LYS A 45 3.311 13.618 -2.851 1.00 0.00 C ATOM 695 CD LYS A 45 2.764 13.058 -4.166 1.00 0.00 C ATOM 696 CE LYS A 45 2.246 14.207 -5.033 1.00 0.00 C ATOM 697 NZ LYS A 45 2.644 13.979 -6.450 1.00 0.00 N ATOM 0 H LYS A 45 6.069 11.834 -1.380 1.00 0.00 H new ATOM 0 HA LYS A 45 4.295 14.085 -0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.218 11.704 -2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.714 11.989 -1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.579 14.286 -2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.207 14.209 -3.040 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.546 12.513 -4.695 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.961 12.349 -3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.161 14.275 -4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.651 15.155 -4.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.292 14.760 -7.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.681 13.935 -6.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.237 13.082 -6.785 1.00 0.00 H new ATOM 711 N LEU A 46 4.671 11.565 1.248 1.00 0.00 N ATOM 712 CA LEU A 46 4.195 10.926 2.510 1.00 0.00 C ATOM 713 C LEU A 46 4.092 11.999 3.597 1.00 0.00 C ATOM 714 O LEU A 46 3.610 11.758 4.686 1.00 0.00 O ATOM 715 CB LEU A 46 5.196 9.842 2.943 1.00 0.00 C ATOM 716 CG LEU A 46 4.516 8.464 3.012 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.415 8.472 4.072 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.893 8.109 1.660 1.00 0.00 C ATOM 0 H LEU A 46 5.622 11.323 0.969 1.00 0.00 H new ATOM 0 HA LEU A 46 3.219 10.467 2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.027 9.807 2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.614 10.095 3.917 1.00 0.00 H new ATOM 0 HG LEU A 46 5.274 7.724 3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.941 7.491 4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.848 8.705 5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.670 9.225 3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.416 7.131 1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.148 8.859 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.671 8.083 0.897 1.00 0.00 H new ATOM 730 N GLN A 47 4.536 13.191 3.308 1.00 0.00 N ATOM 731 CA GLN A 47 4.458 14.280 4.320 1.00 0.00 C ATOM 732 C GLN A 47 3.142 15.039 4.143 1.00 0.00 C ATOM 733 O GLN A 47 2.836 15.952 4.885 1.00 0.00 O ATOM 734 CB GLN A 47 5.633 15.240 4.130 1.00 0.00 C ATOM 735 CG GLN A 47 6.924 14.558 4.587 1.00 0.00 C ATOM 736 CD GLN A 47 6.997 14.574 6.115 1.00 0.00 C ATOM 737 OE1 GLN A 47 7.037 15.626 6.722 1.00 0.00 O ATOM 738 NE2 GLN A 47 7.016 13.444 6.767 1.00 0.00 N ATOM 0 H GLN A 47 4.949 13.457 2.414 1.00 0.00 H new ATOM 0 HA GLN A 47 4.501 13.852 5.322 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.713 15.531 3.083 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.468 16.152 4.703 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.954 13.531 4.222 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.788 15.072 4.166 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.982 12.561 6.258 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.064 13.444 7.786 1.00 0.00 H new ATOM 747 N ALA A 48 2.361 14.667 3.164 1.00 0.00 N ATOM 748 CA ALA A 48 1.068 15.365 2.936 1.00 0.00 C ATOM 749 C ALA A 48 0.330 15.518 4.267 1.00 0.00 C ATOM 750 O ALA A 48 0.168 16.611 4.772 1.00 0.00 O ATOM 751 CB ALA A 48 0.209 14.551 1.963 1.00 0.00 C ATOM 0 H ALA A 48 2.565 13.909 2.513 1.00 0.00 H new ATOM 0 HA ALA A 48 1.258 16.351 2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.738 15.064 1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.735 14.445 1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.018 13.564 2.384 1.00 0.00 H new ATOM 757 N GLY A 49 -0.116 14.433 4.842 1.00 0.00 N ATOM 758 CA GLY A 49 -0.837 14.528 6.144 1.00 0.00 C ATOM 759 C GLY A 49 -0.555 13.279 6.978 1.00 0.00 C ATOM 760 O GLY A 49 0.056 13.343 8.026 1.00 0.00 O ATOM 0 H GLY A 49 -0.013 13.489 4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.517 15.419 6.685 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.909 14.628 5.971 1.00 0.00 H new ATOM 764 N GLY A 50 -0.996 12.142 6.518 1.00 0.00 N ATOM 765 CA GLY A 50 -0.758 10.883 7.279 1.00 0.00 C ATOM 766 C GLY A 50 -1.532 9.748 6.615 1.00 0.00 C ATOM 767 O GLY A 50 -2.531 9.280 7.123 1.00 0.00 O ATOM 0 H GLY A 50 -1.512 12.029 5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.307 10.651 7.300 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.078 11.002 8.314 1.00 0.00 H new ATOM 771 N TYR A 51 -1.080 9.309 5.476 1.00 0.00 N ATOM 772 CA TYR A 51 -1.784 8.213 4.766 1.00 0.00 C ATOM 773 C TYR A 51 -1.930 7.009 5.689 1.00 0.00 C ATOM 774 O TYR A 51 -1.038 6.192 5.809 1.00 0.00 O ATOM 775 CB TYR A 51 -0.979 7.818 3.533 1.00 0.00 C ATOM 776 CG TYR A 51 -1.079 8.918 2.511 1.00 0.00 C ATOM 777 CD1 TYR A 51 -2.220 9.028 1.711 1.00 0.00 C ATOM 778 CD2 TYR A 51 -0.035 9.836 2.374 1.00 0.00 C ATOM 779 CE1 TYR A 51 -2.317 10.059 0.771 1.00 0.00 C ATOM 780 CE2 TYR A 51 -0.129 10.867 1.433 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.269 10.980 0.632 1.00 0.00 C ATOM 782 OH TYR A 51 -1.362 12.002 -0.291 1.00 0.00 O ATOM 0 H TYR A 51 -0.248 9.665 5.005 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.775 8.552 4.465 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.063 7.648 3.802 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.358 6.884 3.119 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.026 8.317 1.819 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.845 9.750 2.995 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.198 10.146 0.153 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.679 11.575 1.325 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.797 12.777 0.122 1.00 0.00 H new ATOM 792 N GLY A 52 -3.053 6.885 6.336 1.00 0.00 N ATOM 793 CA GLY A 52 -3.257 5.726 7.241 1.00 0.00 C ATOM 794 C GLY A 52 -3.064 4.441 6.445 1.00 0.00 C ATOM 795 O GLY A 52 -3.085 3.356 6.985 1.00 0.00 O ATOM 0 H GLY A 52 -3.836 7.536 6.277 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.551 5.766 8.070 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.257 5.756 7.673 1.00 0.00 H new ATOM 799 N PHE A 53 -2.892 4.558 5.157 1.00 0.00 N ATOM 800 CA PHE A 53 -2.718 3.343 4.318 1.00 0.00 C ATOM 801 C PHE A 53 -1.908 3.696 3.063 1.00 0.00 C ATOM 802 O PHE A 53 -2.105 4.734 2.461 1.00 0.00 O ATOM 803 CB PHE A 53 -4.105 2.864 3.910 1.00 0.00 C ATOM 804 CG PHE A 53 -4.290 1.404 4.240 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.576 1.010 5.550 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.221 0.450 3.228 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.792 -0.335 5.843 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.433 -0.895 3.516 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.723 -1.292 4.825 1.00 0.00 C ATOM 0 H PHE A 53 -2.865 5.443 4.651 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.188 2.567 4.870 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.864 3.456 4.423 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.248 3.020 2.841 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.630 1.749 6.336 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.002 0.755 2.215 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.013 -0.639 6.856 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.374 -1.632 2.729 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.893 -2.335 5.049 1.00 0.00 H new ATOM 819 N VAL A 54 -1.001 2.843 2.660 1.00 0.00 N ATOM 820 CA VAL A 54 -0.191 3.142 1.437 1.00 0.00 C ATOM 821 C VAL A 54 -0.127 1.907 0.537 1.00 0.00 C ATOM 822 O VAL A 54 0.381 0.871 0.918 1.00 0.00 O ATOM 823 CB VAL A 54 1.228 3.555 1.837 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.120 3.572 0.594 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.198 4.957 2.451 1.00 0.00 C ATOM 0 H VAL A 54 -0.786 1.958 3.120 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.665 3.960 0.894 1.00 0.00 H new ATOM 0 HB VAL A 54 1.621 2.844 2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.131 3.866 0.876 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.142 2.578 0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.723 4.285 -0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.208 5.251 2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.806 5.665 1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.559 4.954 3.334 1.00 0.00 H new ATOM 835 N ILE A 55 -0.632 2.020 -0.665 1.00 0.00 N ATOM 836 CA ILE A 55 -0.597 0.870 -1.612 1.00 0.00 C ATOM 837 C ILE A 55 0.573 1.072 -2.578 1.00 0.00 C ATOM 838 O ILE A 55 0.580 2.002 -3.362 1.00 0.00 O ATOM 839 CB ILE A 55 -1.899 0.818 -2.418 1.00 0.00 C ATOM 840 CG1 ILE A 55 -3.101 0.861 -1.471 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.946 -0.477 -3.233 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.393 0.791 -2.290 1.00 0.00 C ATOM 0 H ILE A 55 -1.069 2.866 -1.031 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.481 -0.059 -1.055 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.936 1.677 -3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.056 0.028 -0.770 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.081 1.777 -0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.873 -0.513 -3.806 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.096 -0.509 -3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.903 -1.333 -2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.251 0.821 -1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.437 1.639 -2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.412 -0.137 -2.861 1.00 0.00 H new ATOM 854 N SER A 56 1.558 0.214 -2.530 1.00 0.00 N ATOM 855 CA SER A 56 2.729 0.355 -3.447 1.00 0.00 C ATOM 856 C SER A 56 3.032 -0.997 -4.092 1.00 0.00 C ATOM 857 O SER A 56 2.539 -2.022 -3.667 1.00 0.00 O ATOM 858 CB SER A 56 3.946 0.825 -2.649 1.00 0.00 C ATOM 859 OG SER A 56 4.394 -0.232 -1.811 1.00 0.00 O ATOM 0 H SER A 56 1.603 -0.581 -1.893 1.00 0.00 H new ATOM 0 HA SER A 56 2.500 1.085 -4.223 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.744 1.131 -3.326 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.687 1.696 -2.048 1.00 0.00 H new ATOM 0 HG SER A 56 5.175 0.065 -1.299 1.00 0.00 H new ATOM 865 N ASP A 57 3.835 -1.011 -5.118 1.00 0.00 N ATOM 866 CA ASP A 57 4.162 -2.301 -5.783 1.00 0.00 C ATOM 867 C ASP A 57 5.401 -2.912 -5.126 1.00 0.00 C ATOM 868 O ASP A 57 5.404 -3.216 -3.950 1.00 0.00 O ATOM 869 CB ASP A 57 4.442 -2.059 -7.267 1.00 0.00 C ATOM 870 CG ASP A 57 5.578 -1.045 -7.413 1.00 0.00 C ATOM 871 OD1 ASP A 57 5.438 0.051 -6.895 1.00 0.00 O ATOM 872 OD2 ASP A 57 6.568 -1.382 -8.041 1.00 0.00 O ATOM 0 H ASP A 57 4.278 -0.187 -5.524 1.00 0.00 H new ATOM 0 HA ASP A 57 3.319 -2.984 -5.681 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.712 -2.996 -7.755 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.544 -1.689 -7.762 1.00 0.00 H new ATOM 877 N TRP A 58 6.451 -3.094 -5.875 1.00 0.00 N ATOM 878 CA TRP A 58 7.687 -3.686 -5.294 1.00 0.00 C ATOM 879 C TRP A 58 8.871 -3.393 -6.217 1.00 0.00 C ATOM 880 O TRP A 58 10.014 -3.481 -5.816 1.00 0.00 O ATOM 881 CB TRP A 58 7.509 -5.200 -5.158 1.00 0.00 C ATOM 882 CG TRP A 58 8.752 -5.800 -4.583 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.835 -6.177 -5.301 1.00 0.00 C ATOM 884 CD2 TRP A 58 9.060 -6.097 -3.190 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.787 -6.689 -4.438 1.00 0.00 N ATOM 886 CE2 TRP A 58 10.357 -6.661 -3.126 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.349 -5.935 -1.988 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.927 -7.050 -1.914 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.919 -6.325 -0.766 1.00 0.00 C ATOM 890 CH2 TRP A 58 10.206 -6.882 -0.728 1.00 0.00 C ATOM 0 H TRP A 58 6.507 -2.858 -6.866 1.00 0.00 H new ATOM 0 HA TRP A 58 7.874 -3.252 -4.312 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.656 -5.420 -4.516 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.297 -5.641 -6.132 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.939 -6.092 -6.373 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.696 -7.044 -4.735 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.357 -5.508 -2.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.918 -7.478 -1.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.363 -6.195 0.151 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.639 -7.180 0.215 1.00 0.00 H new ATOM 901 N ASN A 59 8.597 -3.052 -7.451 1.00 0.00 N ATOM 902 CA ASN A 59 9.695 -2.754 -8.417 1.00 0.00 C ATOM 903 C ASN A 59 9.690 -1.262 -8.763 1.00 0.00 C ATOM 904 O ASN A 59 8.963 -0.817 -9.629 1.00 0.00 O ATOM 905 CB ASN A 59 9.479 -3.574 -9.691 1.00 0.00 C ATOM 906 CG ASN A 59 10.611 -4.592 -9.839 1.00 0.00 C ATOM 907 OD1 ASN A 59 10.885 -5.349 -8.929 1.00 0.00 O ATOM 908 ND2 ASN A 59 11.284 -4.644 -10.956 1.00 0.00 N ATOM 0 H ASN A 59 7.654 -2.967 -7.832 1.00 0.00 H new ATOM 0 HA ASN A 59 10.654 -3.014 -7.969 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.518 -4.086 -9.648 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.451 -2.916 -10.560 1.00 0.00 H new ATOM 0 HD21 ASN A 59 12.040 -5.320 -11.065 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.054 -4.009 -11.720 1.00 0.00 H new ATOM 915 N MET A 60 10.502 -0.490 -8.097 1.00 0.00 N ATOM 916 CA MET A 60 10.556 0.970 -8.388 1.00 0.00 C ATOM 917 C MET A 60 11.419 1.181 -9.645 1.00 0.00 C ATOM 918 O MET A 60 12.202 0.316 -9.986 1.00 0.00 O ATOM 919 CB MET A 60 11.188 1.688 -7.189 1.00 0.00 C ATOM 920 CG MET A 60 10.092 2.328 -6.329 1.00 0.00 C ATOM 921 SD MET A 60 9.004 1.037 -5.681 1.00 0.00 S ATOM 922 CE MET A 60 7.494 2.031 -5.604 1.00 0.00 C ATOM 0 H MET A 60 11.133 -0.808 -7.361 1.00 0.00 H new ATOM 0 HA MET A 60 9.557 1.370 -8.559 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.764 0.981 -6.593 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.883 2.452 -7.536 1.00 0.00 H new ATOM 0 HG2 MET A 60 10.540 2.887 -5.508 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.517 3.039 -6.923 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.698 1.448 -5.141 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.679 2.928 -5.013 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.195 2.317 -6.612 1.00 0.00 H new ATOM 932 N PRO A 61 11.271 2.310 -10.306 1.00 0.00 N ATOM 933 CA PRO A 61 12.061 2.593 -11.519 1.00 0.00 C ATOM 934 C PRO A 61 13.556 2.479 -11.214 1.00 0.00 C ATOM 935 O PRO A 61 14.316 1.932 -11.990 1.00 0.00 O ATOM 936 CB PRO A 61 11.684 4.028 -11.914 1.00 0.00 C ATOM 937 CG PRO A 61 10.644 4.540 -10.886 1.00 0.00 C ATOM 938 CD PRO A 61 10.335 3.386 -9.918 1.00 0.00 C ATOM 0 HA PRO A 61 11.854 1.889 -12.325 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.566 4.668 -11.917 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.269 4.051 -12.922 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.035 5.400 -10.343 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.736 4.868 -11.392 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.486 3.687 -8.881 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.299 3.061 -10.008 1.00 0.00 H new ATOM 946 N ASN A 62 13.982 2.983 -10.087 1.00 0.00 N ATOM 947 CA ASN A 62 15.426 2.894 -9.727 1.00 0.00 C ATOM 948 C ASN A 62 15.643 1.686 -8.812 1.00 0.00 C ATOM 949 O ASN A 62 15.578 0.552 -9.243 1.00 0.00 O ATOM 950 CB ASN A 62 15.848 4.170 -8.995 1.00 0.00 C ATOM 951 CG ASN A 62 15.948 5.322 -9.996 1.00 0.00 C ATOM 952 OD1 ASN A 62 15.436 5.180 -11.188 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 16.495 6.363 -9.691 1.00 0.00 N flip ATOM 0 H ASN A 62 13.392 3.453 -9.400 1.00 0.00 H new ATOM 0 HA ASN A 62 16.023 2.781 -10.632 1.00 0.00 H new ATOM 0 HB2 ASN A 62 15.124 4.412 -8.217 1.00 0.00 H new ATOM 0 HB3 ASN A 62 16.808 4.018 -8.501 1.00 0.00 H new ATOM 0 HD21 ASN A 62 16.895 6.475 -8.760 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.554 7.125 -10.366 1.00 0.00 H new ATOM 960 N MET A 63 15.892 1.919 -7.553 1.00 0.00 N ATOM 961 CA MET A 63 16.103 0.783 -6.611 1.00 0.00 C ATOM 962 C MET A 63 14.772 0.051 -6.408 1.00 0.00 C ATOM 963 O MET A 63 13.857 0.190 -7.194 1.00 0.00 O ATOM 964 CB MET A 63 16.616 1.327 -5.273 1.00 0.00 C ATOM 965 CG MET A 63 18.116 1.611 -5.378 1.00 0.00 C ATOM 966 SD MET A 63 18.431 2.683 -6.802 1.00 0.00 S ATOM 967 CE MET A 63 18.225 4.264 -5.946 1.00 0.00 C ATOM 0 H MET A 63 15.959 2.847 -7.135 1.00 0.00 H new ATOM 0 HA MET A 63 16.838 0.088 -7.017 1.00 0.00 H new ATOM 0 HB2 MET A 63 16.080 2.239 -5.010 1.00 0.00 H new ATOM 0 HB3 MET A 63 16.427 0.605 -4.478 1.00 0.00 H new ATOM 0 HG2 MET A 63 18.471 2.088 -4.465 1.00 0.00 H new ATOM 0 HG3 MET A 63 18.667 0.677 -5.484 1.00 0.00 H new ATOM 0 HE1 MET A 63 18.379 5.082 -6.650 1.00 0.00 H new ATOM 0 HE2 MET A 63 17.218 4.325 -5.533 1.00 0.00 H new ATOM 0 HE3 MET A 63 18.954 4.338 -5.139 1.00 0.00 H new ATOM 977 N ASP A 64 14.652 -0.727 -5.363 1.00 0.00 N ATOM 978 CA ASP A 64 13.373 -1.459 -5.120 1.00 0.00 C ATOM 979 C ASP A 64 12.494 -0.640 -4.172 1.00 0.00 C ATOM 980 O ASP A 64 12.895 0.401 -3.689 1.00 0.00 O ATOM 981 CB ASP A 64 13.676 -2.820 -4.489 1.00 0.00 C ATOM 982 CG ASP A 64 15.160 -2.894 -4.122 1.00 0.00 C ATOM 983 OD1 ASP A 64 15.941 -3.280 -4.974 1.00 0.00 O ATOM 984 OD2 ASP A 64 15.487 -2.563 -2.995 1.00 0.00 O ATOM 0 H ASP A 64 15.382 -0.887 -4.669 1.00 0.00 H new ATOM 0 HA ASP A 64 12.851 -1.607 -6.065 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.063 -2.965 -3.599 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.422 -3.620 -5.185 1.00 0.00 H new ATOM 989 N GLY A 65 11.298 -1.093 -3.901 1.00 0.00 N ATOM 990 CA GLY A 65 10.409 -0.322 -2.984 1.00 0.00 C ATOM 991 C GLY A 65 10.617 -0.791 -1.541 1.00 0.00 C ATOM 992 O GLY A 65 9.822 -0.505 -0.669 1.00 0.00 O ATOM 0 H GLY A 65 10.901 -1.956 -4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.625 0.743 -3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.367 -0.458 -3.273 1.00 0.00 H new ATOM 996 N LEU A 66 11.685 -1.495 -1.269 1.00 0.00 N ATOM 997 CA LEU A 66 11.924 -1.939 0.132 1.00 0.00 C ATOM 998 C LEU A 66 12.656 -0.812 0.854 1.00 0.00 C ATOM 999 O LEU A 66 12.357 -0.485 1.983 1.00 0.00 O ATOM 1000 CB LEU A 66 12.767 -3.220 0.160 1.00 0.00 C ATOM 1001 CG LEU A 66 13.027 -3.644 1.615 1.00 0.00 C ATOM 1002 CD1 LEU A 66 11.700 -3.860 2.349 1.00 0.00 C ATOM 1003 CD2 LEU A 66 13.822 -4.950 1.629 1.00 0.00 C ATOM 0 H LEU A 66 12.392 -1.778 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 66 10.976 -2.159 0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.250 -4.018 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.714 -3.054 -0.354 1.00 0.00 H new ATOM 0 HG LEU A 66 13.591 -2.857 2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.898 -4.160 3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.127 -2.933 2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.129 -4.641 1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.007 -5.252 2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.253 -5.728 1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.773 -4.802 1.118 1.00 0.00 H new ATOM 1015 N GLU A 67 13.593 -0.186 0.193 1.00 0.00 N ATOM 1016 CA GLU A 67 14.310 0.951 0.824 1.00 0.00 C ATOM 1017 C GLU A 67 13.294 2.077 0.999 1.00 0.00 C ATOM 1018 O GLU A 67 13.472 2.995 1.773 1.00 0.00 O ATOM 1019 CB GLU A 67 15.444 1.410 -0.094 1.00 0.00 C ATOM 1020 CG GLU A 67 16.683 0.547 0.149 1.00 0.00 C ATOM 1021 CD GLU A 67 17.656 0.708 -1.020 1.00 0.00 C ATOM 1022 OE1 GLU A 67 18.436 1.646 -0.992 1.00 0.00 O ATOM 1023 OE2 GLU A 67 17.604 -0.109 -1.925 1.00 0.00 O ATOM 0 H GLU A 67 13.890 -0.415 -0.755 1.00 0.00 H new ATOM 0 HA GLU A 67 14.739 0.664 1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.135 1.334 -1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.676 2.458 0.094 1.00 0.00 H new ATOM 0 HG2 GLU A 67 17.166 0.840 1.081 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.395 -0.499 0.255 1.00 0.00 H new ATOM 1030 N LEU A 68 12.213 1.976 0.275 1.00 0.00 N ATOM 1031 CA LEU A 68 11.124 2.987 0.355 1.00 0.00 C ATOM 1032 C LEU A 68 10.307 2.701 1.616 1.00 0.00 C ATOM 1033 O LEU A 68 10.290 3.470 2.557 1.00 0.00 O ATOM 1034 CB LEU A 68 10.249 2.822 -0.903 1.00 0.00 C ATOM 1035 CG LEU A 68 8.910 3.564 -0.779 1.00 0.00 C ATOM 1036 CD1 LEU A 68 9.155 5.070 -0.699 1.00 0.00 C ATOM 1037 CD2 LEU A 68 8.061 3.245 -2.013 1.00 0.00 C ATOM 0 H LEU A 68 12.037 1.217 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 68 11.511 4.005 0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.791 3.196 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.061 1.762 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 68 8.392 3.245 0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.201 5.590 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.771 5.293 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.668 5.404 -1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.105 3.764 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.586 3.573 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.887 2.170 -2.067 1.00 0.00 H new ATOM 1049 N LEU A 69 9.636 1.586 1.626 1.00 0.00 N ATOM 1050 CA LEU A 69 8.810 1.197 2.801 1.00 0.00 C ATOM 1051 C LEU A 69 9.698 1.166 4.050 1.00 0.00 C ATOM 1052 O LEU A 69 9.305 1.596 5.120 1.00 0.00 O ATOM 1053 CB LEU A 69 8.199 -0.184 2.489 1.00 0.00 C ATOM 1054 CG LEU A 69 8.083 -1.085 3.721 1.00 0.00 C ATOM 1055 CD1 LEU A 69 7.141 -0.470 4.749 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.493 -2.416 3.282 1.00 0.00 C ATOM 0 H LEU A 69 9.625 0.916 0.857 1.00 0.00 H new ATOM 0 HA LEU A 69 8.007 1.909 2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.209 -0.046 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.811 -0.684 1.738 1.00 0.00 H new ATOM 0 HG LEU A 69 9.070 -1.209 4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.072 -1.125 5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.524 0.502 5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.152 -0.346 4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.401 -3.075 4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.508 -2.251 2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.146 -2.877 2.541 1.00 0.00 H new ATOM 1068 N LYS A 70 10.900 0.675 3.917 1.00 0.00 N ATOM 1069 CA LYS A 70 11.820 0.627 5.085 1.00 0.00 C ATOM 1070 C LYS A 70 12.069 2.051 5.582 1.00 0.00 C ATOM 1071 O LYS A 70 11.982 2.333 6.761 1.00 0.00 O ATOM 1072 CB LYS A 70 13.150 -0.006 4.665 1.00 0.00 C ATOM 1073 CG LYS A 70 14.085 -0.082 5.876 1.00 0.00 C ATOM 1074 CD LYS A 70 15.257 0.884 5.683 1.00 0.00 C ATOM 1075 CE LYS A 70 16.172 0.364 4.574 1.00 0.00 C ATOM 1076 NZ LYS A 70 17.469 -0.073 5.163 1.00 0.00 N ATOM 0 H LYS A 70 11.284 0.305 3.048 1.00 0.00 H new ATOM 0 HA LYS A 70 11.373 0.031 5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.979 -1.004 4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.611 0.583 3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.539 0.170 6.785 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.456 -1.100 5.998 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.885 1.876 5.427 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.816 0.984 6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.696 -0.469 4.057 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.342 1.145 3.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.091 -0.427 4.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.924 0.733 5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.298 -0.831 5.855 1.00 0.00 H new ATOM 1090 N THR A 71 12.370 2.956 4.689 1.00 0.00 N ATOM 1091 CA THR A 71 12.614 4.362 5.113 1.00 0.00 C ATOM 1092 C THR A 71 11.446 4.830 5.980 1.00 0.00 C ATOM 1093 O THR A 71 11.634 5.392 7.042 1.00 0.00 O ATOM 1094 CB THR A 71 12.728 5.261 3.879 1.00 0.00 C ATOM 1095 OG1 THR A 71 13.875 4.890 3.128 1.00 0.00 O ATOM 1096 CG2 THR A 71 12.853 6.720 4.320 1.00 0.00 C ATOM 0 H THR A 71 12.457 2.782 3.688 1.00 0.00 H new ATOM 0 HA THR A 71 13.542 4.417 5.682 1.00 0.00 H new ATOM 0 HB THR A 71 11.838 5.146 3.261 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.594 4.471 2.288 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.934 7.360 3.441 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.971 7.003 4.895 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.743 6.838 4.938 1.00 0.00 H new ATOM 1104 N ILE A 72 10.238 4.594 5.543 1.00 0.00 N ATOM 1105 CA ILE A 72 9.062 5.019 6.352 1.00 0.00 C ATOM 1106 C ILE A 72 9.240 4.513 7.783 1.00 0.00 C ATOM 1107 O ILE A 72 9.042 5.237 8.739 1.00 0.00 O ATOM 1108 CB ILE A 72 7.783 4.426 5.749 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.670 4.852 4.281 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.566 4.938 6.525 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.442 4.195 3.643 1.00 0.00 C ATOM 0 H ILE A 72 10.016 4.127 4.664 1.00 0.00 H new ATOM 0 HA ILE A 72 8.984 6.106 6.352 1.00 0.00 H new ATOM 0 HB ILE A 72 7.820 3.338 5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.590 5.937 4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.571 4.564 3.739 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.657 4.516 6.096 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.648 4.637 7.570 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.526 6.025 6.463 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.366 4.501 2.600 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.540 3.111 3.697 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.544 4.505 4.178 1.00 0.00 H new ATOM 1123 N ARG A 73 9.618 3.273 7.939 1.00 0.00 N ATOM 1124 CA ARG A 73 9.815 2.721 9.310 1.00 0.00 C ATOM 1125 C ARG A 73 10.928 3.495 10.020 1.00 0.00 C ATOM 1126 O ARG A 73 10.940 3.612 11.229 1.00 0.00 O ATOM 1127 CB ARG A 73 10.212 1.247 9.215 1.00 0.00 C ATOM 1128 CG ARG A 73 10.098 0.602 10.600 1.00 0.00 C ATOM 1129 CD ARG A 73 10.986 -0.644 10.668 1.00 0.00 C ATOM 1130 NE ARG A 73 12.268 -0.304 11.350 1.00 0.00 N ATOM 1131 CZ ARG A 73 13.117 -1.249 11.645 1.00 0.00 C ATOM 1132 NH1 ARG A 73 12.862 -2.075 12.622 1.00 0.00 N ATOM 1133 NH2 ARG A 73 14.223 -1.370 10.961 1.00 0.00 N ATOM 0 H ARG A 73 9.799 2.619 7.177 1.00 0.00 H new ATOM 0 HA ARG A 73 8.886 2.816 9.873 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.566 0.729 8.506 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.232 1.156 8.842 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.397 1.315 11.369 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.061 0.332 10.801 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.474 -1.440 11.209 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.184 -1.018 9.663 1.00 0.00 H new ATOM 0 HE ARG A 73 12.480 0.666 11.585 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.998 -1.982 13.156 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.527 -2.814 12.852 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.423 -0.725 10.196 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.887 -2.109 11.192 1.00 0.00 H new ATOM 1147 N ALA A 74 11.866 4.018 9.277 1.00 0.00 N ATOM 1148 CA ALA A 74 12.986 4.778 9.903 1.00 0.00 C ATOM 1149 C ALA A 74 12.435 5.738 10.960 1.00 0.00 C ATOM 1150 O ALA A 74 13.100 6.059 11.926 1.00 0.00 O ATOM 1151 CB ALA A 74 13.725 5.576 8.829 1.00 0.00 C ATOM 0 H ALA A 74 11.905 3.951 8.260 1.00 0.00 H new ATOM 0 HA ALA A 74 13.674 4.077 10.376 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.543 6.131 9.287 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.125 4.893 8.079 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.035 6.273 8.354 1.00 0.00 H new ATOM 1157 N ASP A 75 11.228 6.199 10.787 1.00 0.00 N ATOM 1158 CA ASP A 75 10.643 7.137 11.786 1.00 0.00 C ATOM 1159 C ASP A 75 10.410 6.397 13.104 1.00 0.00 C ATOM 1160 O ASP A 75 9.436 5.689 13.267 1.00 0.00 O ATOM 1161 CB ASP A 75 9.312 7.677 11.262 1.00 0.00 C ATOM 1162 CG ASP A 75 8.665 8.561 12.329 1.00 0.00 C ATOM 1163 OD1 ASP A 75 7.944 8.026 13.156 1.00 0.00 O ATOM 1164 OD2 ASP A 75 8.900 9.758 12.303 1.00 0.00 O ATOM 0 H ASP A 75 10.622 5.968 9.999 1.00 0.00 H new ATOM 0 HA ASP A 75 11.331 7.966 11.951 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.474 8.250 10.349 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.648 6.851 11.007 1.00 0.00 H new ATOM 1169 N GLY A 76 11.297 6.555 14.048 1.00 0.00 N ATOM 1170 CA GLY A 76 11.128 5.861 15.356 1.00 0.00 C ATOM 1171 C GLY A 76 9.936 6.462 16.104 1.00 0.00 C ATOM 1172 O GLY A 76 10.097 7.230 17.030 1.00 0.00 O ATOM 0 H GLY A 76 12.132 7.135 13.970 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.970 4.794 15.196 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.034 5.963 15.953 1.00 0.00 H new ATOM 1176 N ALA A 77 8.741 6.118 15.708 1.00 0.00 N ATOM 1177 CA ALA A 77 7.540 6.670 16.396 1.00 0.00 C ATOM 1178 C ALA A 77 6.298 5.900 15.946 1.00 0.00 C ATOM 1179 O ALA A 77 5.615 5.285 16.740 1.00 0.00 O ATOM 1180 CB ALA A 77 7.382 8.150 16.039 1.00 0.00 C ATOM 0 H ALA A 77 8.545 5.479 14.938 1.00 0.00 H new ATOM 0 HA ALA A 77 7.659 6.569 17.475 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.503 8.554 16.542 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.268 8.698 16.360 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.262 8.253 14.961 1.00 0.00 H new ATOM 1186 N MET A 78 6.002 5.926 14.674 1.00 0.00 N ATOM 1187 CA MET A 78 4.807 5.193 14.173 1.00 0.00 C ATOM 1188 C MET A 78 5.226 3.796 13.724 1.00 0.00 C ATOM 1189 O MET A 78 4.914 2.808 14.360 1.00 0.00 O ATOM 1190 CB MET A 78 4.202 5.951 12.990 1.00 0.00 C ATOM 1191 CG MET A 78 3.449 7.180 13.503 1.00 0.00 C ATOM 1192 SD MET A 78 1.797 6.690 14.055 1.00 0.00 S ATOM 1193 CE MET A 78 1.375 8.232 14.903 1.00 0.00 C ATOM 0 H MET A 78 6.537 6.423 13.962 1.00 0.00 H new ATOM 0 HA MET A 78 4.066 5.114 14.968 1.00 0.00 H new ATOM 0 HB2 MET A 78 4.988 6.255 12.299 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.525 5.301 12.436 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.998 7.638 14.326 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.373 7.928 12.714 1.00 0.00 H new ATOM 0 HE1 MET A 78 0.375 8.151 15.329 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.095 8.418 15.700 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.401 9.057 14.192 1.00 0.00 H new ATOM 1203 N SER A 79 5.935 3.709 12.635 1.00 0.00 N ATOM 1204 CA SER A 79 6.385 2.379 12.135 1.00 0.00 C ATOM 1205 C SER A 79 5.217 1.394 12.192 1.00 0.00 C ATOM 1206 O SER A 79 5.409 0.199 12.306 1.00 0.00 O ATOM 1207 CB SER A 79 7.527 1.865 13.010 1.00 0.00 C ATOM 1208 OG SER A 79 7.759 0.493 12.720 1.00 0.00 O ATOM 0 H SER A 79 6.224 4.505 12.066 1.00 0.00 H new ATOM 0 HA SER A 79 6.731 2.475 11.106 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.431 2.445 12.826 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.277 1.989 14.064 1.00 0.00 H new ATOM 0 HG SER A 79 6.940 -0.019 12.885 1.00 0.00 H new ATOM 1214 N ALA A 80 4.008 1.892 12.120 1.00 0.00 N ATOM 1215 CA ALA A 80 2.814 0.999 12.175 1.00 0.00 C ATOM 1216 C ALA A 80 1.889 1.311 10.998 1.00 0.00 C ATOM 1217 O ALA A 80 0.974 0.566 10.706 1.00 0.00 O ATOM 1218 CB ALA A 80 2.062 1.237 13.486 1.00 0.00 C ATOM 0 H ALA A 80 3.797 2.885 12.025 1.00 0.00 H new ATOM 0 HA ALA A 80 3.135 -0.041 12.120 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.189 0.585 13.528 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.719 1.018 14.327 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.741 2.277 13.538 1.00 0.00 H new ATOM 1224 N LEU A 81 2.114 2.403 10.317 1.00 0.00 N ATOM 1225 CA LEU A 81 1.236 2.747 9.163 1.00 0.00 C ATOM 1226 C LEU A 81 1.085 1.495 8.262 1.00 0.00 C ATOM 1227 O LEU A 81 2.062 1.065 7.682 1.00 0.00 O ATOM 1228 CB LEU A 81 1.878 3.876 8.349 1.00 0.00 C ATOM 1229 CG LEU A 81 0.786 4.856 7.889 1.00 0.00 C ATOM 1230 CD1 LEU A 81 0.212 5.628 9.088 1.00 0.00 C ATOM 1231 CD2 LEU A 81 1.381 5.850 6.890 1.00 0.00 C ATOM 0 H LEU A 81 2.863 3.068 10.509 1.00 0.00 H new ATOM 0 HA LEU A 81 0.260 3.071 9.525 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.620 4.398 8.953 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.401 3.465 7.485 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.016 4.287 7.418 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.559 6.316 8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.222 4.925 9.799 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.009 6.191 9.574 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.607 6.545 6.564 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.189 6.405 7.366 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.771 5.310 6.027 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.107 0.917 8.167 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.308 -0.292 7.341 1.00 0.00 C ATOM 1245 C PRO A 82 0.042 -0.067 5.866 1.00 0.00 C ATOM 1246 O PRO A 82 -0.544 0.758 5.185 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.797 -0.633 7.481 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.429 0.399 8.442 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.334 1.392 8.850 1.00 0.00 C ATOM 0 HA PRO A 82 0.348 -1.095 7.679 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.289 -0.601 6.509 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.923 -1.644 7.869 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.254 0.919 7.955 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.840 -0.099 9.320 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.588 2.407 8.543 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.201 1.410 9.932 1.00 0.00 H new ATOM 1257 N VAL A 83 0.967 -0.845 5.364 1.00 0.00 N ATOM 1258 CA VAL A 83 1.340 -0.753 3.926 1.00 0.00 C ATOM 1259 C VAL A 83 0.813 -1.987 3.242 1.00 0.00 C ATOM 1260 O VAL A 83 1.258 -3.080 3.531 1.00 0.00 O ATOM 1261 CB VAL A 83 2.855 -0.754 3.743 1.00 0.00 C ATOM 1262 CG1 VAL A 83 3.191 -1.254 2.324 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.372 0.666 3.909 1.00 0.00 C ATOM 0 H VAL A 83 1.483 -1.546 5.897 1.00 0.00 H new ATOM 0 HA VAL A 83 0.930 0.170 3.516 1.00 0.00 H new ATOM 0 HB VAL A 83 3.320 -1.407 4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.272 -1.257 2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.805 -2.265 2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.733 -0.593 1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.454 0.677 3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.911 1.311 3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.122 1.030 4.905 1.00 0.00 H new ATOM 1273 N LEU A 84 -0.104 -1.840 2.337 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.615 -3.041 1.648 1.00 0.00 C ATOM 1275 C LEU A 84 0.032 -3.134 0.276 1.00 0.00 C ATOM 1276 O LEU A 84 -0.579 -2.871 -0.740 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.138 -2.964 1.547 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.727 -4.173 0.787 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -1.999 -5.474 1.145 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -4.204 -4.328 1.158 1.00 0.00 C ATOM 0 H LEU A 84 -0.516 -0.952 2.049 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.363 -3.940 2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.566 -2.921 2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.422 -2.042 1.039 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.607 -3.989 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.441 -6.302 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.944 -5.385 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.093 -5.661 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.626 -5.180 0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.294 -4.491 2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.745 -3.423 0.882 1.00 0.00 H new ATOM 1292 N MET A 85 1.282 -3.504 0.252 1.00 0.00 N ATOM 1293 CA MET A 85 2.002 -3.615 -1.036 1.00 0.00 C ATOM 1294 C MET A 85 1.150 -4.404 -2.025 1.00 0.00 C ATOM 1295 O MET A 85 0.109 -4.931 -1.683 1.00 0.00 O ATOM 1296 CB MET A 85 3.343 -4.321 -0.817 1.00 0.00 C ATOM 1297 CG MET A 85 4.461 -3.279 -0.768 1.00 0.00 C ATOM 1298 SD MET A 85 5.991 -4.054 -0.192 1.00 0.00 S ATOM 1299 CE MET A 85 7.110 -2.708 -0.648 1.00 0.00 C ATOM 0 H MET A 85 1.835 -3.735 1.078 1.00 0.00 H new ATOM 0 HA MET A 85 2.189 -2.619 -1.438 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.320 -4.890 0.112 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.528 -5.032 -1.622 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.611 -2.846 -1.757 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.182 -2.463 -0.101 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.131 -2.976 -0.378 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.053 -2.535 -1.723 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.821 -1.800 -0.119 1.00 0.00 H new ATOM 1309 N VAL A 86 1.572 -4.471 -3.253 1.00 0.00 N ATOM 1310 CA VAL A 86 0.777 -5.201 -4.275 1.00 0.00 C ATOM 1311 C VAL A 86 1.725 -5.837 -5.296 1.00 0.00 C ATOM 1312 O VAL A 86 2.481 -5.149 -5.951 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.134 -4.192 -4.975 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.997 -4.905 -6.007 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -1.032 -3.508 -3.939 1.00 0.00 C ATOM 0 H VAL A 86 2.436 -4.050 -3.595 1.00 0.00 H new ATOM 0 HA VAL A 86 0.182 -5.986 -3.809 1.00 0.00 H new ATOM 0 HB VAL A 86 0.478 -3.443 -5.476 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.644 -4.181 -6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.357 -5.386 -6.747 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.609 -5.659 -5.511 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.681 -2.789 -4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.641 -4.258 -3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.413 -2.990 -3.206 1.00 0.00 H new ATOM 1325 N THR A 87 1.704 -7.140 -5.446 1.00 0.00 N ATOM 1326 CA THR A 87 2.626 -7.769 -6.438 1.00 0.00 C ATOM 1327 C THR A 87 2.000 -9.045 -6.999 1.00 0.00 C ATOM 1328 O THR A 87 0.894 -9.407 -6.655 1.00 0.00 O ATOM 1329 CB THR A 87 3.959 -8.104 -5.764 1.00 0.00 C ATOM 1330 OG1 THR A 87 4.813 -8.744 -6.702 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.716 -9.034 -4.577 1.00 0.00 C ATOM 0 H THR A 87 1.100 -7.783 -4.934 1.00 0.00 H new ATOM 0 HA THR A 87 2.799 -7.068 -7.255 1.00 0.00 H new ATOM 0 HB THR A 87 4.428 -7.185 -5.411 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.668 -8.958 -6.273 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.667 -9.271 -4.099 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.061 -8.542 -3.858 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.246 -9.954 -4.926 1.00 0.00 H new ATOM 1339 N ALA A 88 2.710 -9.726 -7.863 1.00 0.00 N ATOM 1340 CA ALA A 88 2.180 -10.986 -8.461 1.00 0.00 C ATOM 1341 C ALA A 88 3.172 -12.122 -8.201 1.00 0.00 C ATOM 1342 O ALA A 88 2.792 -13.228 -7.873 1.00 0.00 O ATOM 1343 CB ALA A 88 2.004 -10.798 -9.970 1.00 0.00 C ATOM 0 H ALA A 88 3.642 -9.459 -8.181 1.00 0.00 H new ATOM 0 HA ALA A 88 1.217 -11.230 -8.011 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.617 -11.718 -10.409 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.303 -9.984 -10.156 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.967 -10.558 -10.421 1.00 0.00 H new ATOM 1349 N GLU A 89 4.442 -11.853 -8.342 1.00 0.00 N ATOM 1350 CA GLU A 89 5.462 -12.914 -8.099 1.00 0.00 C ATOM 1351 C GLU A 89 5.964 -12.815 -6.656 1.00 0.00 C ATOM 1352 O GLU A 89 7.145 -12.677 -6.407 1.00 0.00 O ATOM 1353 CB GLU A 89 6.636 -12.721 -9.063 1.00 0.00 C ATOM 1354 CG GLU A 89 7.367 -14.052 -9.251 1.00 0.00 C ATOM 1355 CD GLU A 89 8.809 -13.785 -9.687 1.00 0.00 C ATOM 1356 OE1 GLU A 89 8.992 -13.280 -10.782 1.00 0.00 O ATOM 1357 OE2 GLU A 89 9.706 -14.090 -8.918 1.00 0.00 O ATOM 0 H GLU A 89 4.817 -10.945 -8.615 1.00 0.00 H new ATOM 0 HA GLU A 89 5.015 -13.895 -8.262 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.275 -12.354 -10.024 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.322 -11.970 -8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.356 -14.620 -8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.856 -14.657 -9.999 1.00 0.00 H new ATOM 1364 N ALA A 90 5.075 -12.883 -5.703 1.00 0.00 N ATOM 1365 CA ALA A 90 5.499 -12.790 -4.276 1.00 0.00 C ATOM 1366 C ALA A 90 6.236 -14.067 -3.873 1.00 0.00 C ATOM 1367 O ALA A 90 5.652 -15.128 -3.775 1.00 0.00 O ATOM 1368 CB ALA A 90 4.269 -12.628 -3.388 1.00 0.00 C ATOM 0 H ALA A 90 4.072 -12.999 -5.851 1.00 0.00 H new ATOM 0 HA ALA A 90 6.159 -11.931 -4.156 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.579 -12.560 -2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.735 -11.720 -3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.612 -13.488 -3.516 1.00 0.00 H new ATOM 1374 N LYS A 91 7.514 -13.974 -3.629 1.00 0.00 N ATOM 1375 CA LYS A 91 8.281 -15.178 -3.224 1.00 0.00 C ATOM 1376 C LYS A 91 7.996 -15.485 -1.753 1.00 0.00 C ATOM 1377 O LYS A 91 6.862 -15.465 -1.316 1.00 0.00 O ATOM 1378 CB LYS A 91 9.771 -14.898 -3.412 1.00 0.00 C ATOM 1379 CG LYS A 91 10.049 -14.579 -4.881 1.00 0.00 C ATOM 1380 CD LYS A 91 11.197 -15.456 -5.383 1.00 0.00 C ATOM 1381 CE LYS A 91 12.458 -15.162 -4.568 1.00 0.00 C ATOM 1382 NZ LYS A 91 13.572 -14.803 -5.489 1.00 0.00 N ATOM 0 H LYS A 91 8.058 -13.114 -3.694 1.00 0.00 H new ATOM 0 HA LYS A 91 7.988 -16.033 -3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.077 -14.062 -2.783 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.357 -15.763 -3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.154 -14.755 -5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.305 -13.526 -4.994 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.930 -16.509 -5.293 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.381 -15.263 -6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.271 -14.345 -3.871 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.731 -16.033 -3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.429 -14.603 -4.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.755 -15.595 -6.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.310 -13.960 -6.038 1.00 0.00 H new ATOM 1396 N LYS A 92 9.020 -15.762 -0.985 1.00 0.00 N ATOM 1397 CA LYS A 92 8.818 -16.062 0.463 1.00 0.00 C ATOM 1398 C LYS A 92 9.885 -15.324 1.272 1.00 0.00 C ATOM 1399 O LYS A 92 9.597 -14.379 1.979 1.00 0.00 O ATOM 1400 CB LYS A 92 8.935 -17.572 0.745 1.00 0.00 C ATOM 1401 CG LYS A 92 9.127 -18.378 -0.549 1.00 0.00 C ATOM 1402 CD LYS A 92 10.587 -18.287 -1.008 1.00 0.00 C ATOM 1403 CE LYS A 92 10.733 -18.953 -2.377 1.00 0.00 C ATOM 1404 NZ LYS A 92 10.201 -20.343 -2.313 1.00 0.00 N ATOM 0 H LYS A 92 9.989 -15.793 -1.301 1.00 0.00 H new ATOM 0 HA LYS A 92 7.817 -15.736 0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.776 -17.753 1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.038 -17.917 1.259 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.853 -19.420 -0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.467 -17.995 -1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.897 -17.244 -1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.239 -18.775 -0.283 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.193 -18.380 -3.131 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.781 -18.967 -2.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.591 -20.900 -3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.477 -20.779 -1.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.164 -20.321 -2.384 1.00 0.00 H new ATOM 1418 N GLU A 93 11.116 -15.749 1.172 1.00 0.00 N ATOM 1419 CA GLU A 93 12.205 -15.075 1.930 1.00 0.00 C ATOM 1420 C GLU A 93 12.071 -13.557 1.779 1.00 0.00 C ATOM 1421 O GLU A 93 12.649 -12.795 2.527 1.00 0.00 O ATOM 1422 CB GLU A 93 13.560 -15.525 1.380 1.00 0.00 C ATOM 1423 CG GLU A 93 14.669 -14.646 1.961 1.00 0.00 C ATOM 1424 CD GLU A 93 16.025 -15.318 1.736 1.00 0.00 C ATOM 1425 OE1 GLU A 93 16.166 -16.006 0.738 1.00 0.00 O ATOM 1426 OE2 GLU A 93 16.900 -15.132 2.566 1.00 0.00 O ATOM 0 H GLU A 93 11.413 -16.536 0.596 1.00 0.00 H new ATOM 0 HA GLU A 93 12.133 -15.341 2.985 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.739 -16.569 1.636 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.562 -15.458 0.292 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.655 -13.664 1.488 1.00 0.00 H new ATOM 0 HG3 GLU A 93 14.502 -14.488 3.027 1.00 0.00 H new ATOM 1433 N ASN A 94 11.311 -13.115 0.815 1.00 0.00 N ATOM 1434 CA ASN A 94 11.138 -11.648 0.612 1.00 0.00 C ATOM 1435 C ASN A 94 9.942 -11.154 1.429 1.00 0.00 C ATOM 1436 O ASN A 94 10.063 -10.272 2.255 1.00 0.00 O ATOM 1437 CB ASN A 94 10.899 -11.362 -0.871 1.00 0.00 C ATOM 1438 CG ASN A 94 12.149 -10.719 -1.474 1.00 0.00 C ATOM 1439 OD1 ASN A 94 12.052 -9.834 -2.300 1.00 0.00 O ATOM 1440 ND2 ASN A 94 13.328 -11.128 -1.092 1.00 0.00 N ATOM 0 H ASN A 94 10.802 -13.707 0.158 1.00 0.00 H new ATOM 0 HA ASN A 94 12.038 -11.129 0.940 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.663 -12.287 -1.397 1.00 0.00 H new ATOM 0 HB3 ASN A 94 10.042 -10.699 -0.991 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.168 -10.704 -1.487 1.00 0.00 H new ATOM 0 HD22 ASN A 94 13.410 -11.871 -0.398 1.00 0.00 H new ATOM 1447 N ILE A 95 8.790 -11.716 1.201 1.00 0.00 N ATOM 1448 CA ILE A 95 7.585 -11.279 1.962 1.00 0.00 C ATOM 1449 C ILE A 95 7.924 -11.207 3.451 1.00 0.00 C ATOM 1450 O ILE A 95 7.348 -10.435 4.192 1.00 0.00 O ATOM 1451 CB ILE A 95 6.448 -12.280 1.745 1.00 0.00 C ATOM 1452 CG1 ILE A 95 6.178 -12.429 0.247 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.182 -11.774 2.438 1.00 0.00 C ATOM 1454 CD1 ILE A 95 5.169 -13.557 0.023 1.00 0.00 C ATOM 0 H ILE A 95 8.629 -12.459 0.521 1.00 0.00 H new ATOM 0 HA ILE A 95 7.271 -10.296 1.611 1.00 0.00 H new ATOM 0 HB ILE A 95 6.732 -13.246 2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.791 -11.494 -0.159 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.106 -12.646 -0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.373 -12.487 2.283 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.371 -11.665 3.506 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.899 -10.808 2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.975 -13.665 -1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.574 -14.490 0.415 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.238 -13.320 0.539 1.00 0.00 H new ATOM 1466 N ILE A 96 8.857 -12.004 3.897 1.00 0.00 N ATOM 1467 CA ILE A 96 9.233 -11.977 5.339 1.00 0.00 C ATOM 1468 C ILE A 96 10.044 -10.715 5.626 1.00 0.00 C ATOM 1469 O ILE A 96 9.662 -9.889 6.431 1.00 0.00 O ATOM 1470 CB ILE A 96 10.071 -13.209 5.677 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.157 -14.430 5.792 1.00 0.00 C ATOM 1472 CG2 ILE A 96 10.788 -12.982 7.010 1.00 0.00 C ATOM 1473 CD1 ILE A 96 10.004 -15.704 5.821 1.00 0.00 C ATOM 0 H ILE A 96 9.374 -12.672 3.326 1.00 0.00 H new ATOM 0 HA ILE A 96 8.330 -11.979 5.949 1.00 0.00 H new ATOM 0 HB ILE A 96 10.806 -13.379 4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.554 -14.361 6.697 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.466 -14.460 4.950 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.387 -13.859 7.255 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.437 -12.110 6.930 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.051 -12.815 7.796 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.351 -16.573 5.903 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.588 -15.774 4.903 1.00 0.00 H new ATOM 0 HD13 ILE A 96 10.677 -15.674 6.678 1.00 0.00 H new ATOM 1485 N ALA A 97 11.159 -10.561 4.973 1.00 0.00 N ATOM 1486 CA ALA A 97 11.996 -9.349 5.205 1.00 0.00 C ATOM 1487 C ALA A 97 11.104 -8.114 5.156 1.00 0.00 C ATOM 1488 O ALA A 97 11.093 -7.305 6.063 1.00 0.00 O ATOM 1489 CB ALA A 97 13.069 -9.248 4.119 1.00 0.00 C ATOM 0 H ALA A 97 11.529 -11.220 4.288 1.00 0.00 H new ATOM 0 HA ALA A 97 12.479 -9.418 6.180 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.679 -8.361 4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.702 -10.135 4.149 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.592 -9.176 3.142 1.00 0.00 H new ATOM 1495 N ALA A 98 10.350 -7.969 4.108 1.00 0.00 N ATOM 1496 CA ALA A 98 9.449 -6.792 4.003 1.00 0.00 C ATOM 1497 C ALA A 98 8.629 -6.677 5.288 1.00 0.00 C ATOM 1498 O ALA A 98 8.522 -5.620 5.874 1.00 0.00 O ATOM 1499 CB ALA A 98 8.509 -6.974 2.810 1.00 0.00 C ATOM 0 H ALA A 98 10.318 -8.614 3.319 1.00 0.00 H new ATOM 0 HA ALA A 98 10.039 -5.887 3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.848 -6.111 2.733 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.095 -7.065 1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.913 -7.876 2.951 1.00 0.00 H new ATOM 1505 N ALA A 99 8.042 -7.756 5.726 1.00 0.00 N ATOM 1506 CA ALA A 99 7.227 -7.708 6.967 1.00 0.00 C ATOM 1507 C ALA A 99 8.028 -7.028 8.076 1.00 0.00 C ATOM 1508 O ALA A 99 7.530 -6.170 8.779 1.00 0.00 O ATOM 1509 CB ALA A 99 6.866 -9.130 7.397 1.00 0.00 C ATOM 0 H ALA A 99 8.093 -8.670 5.276 1.00 0.00 H new ATOM 0 HA ALA A 99 6.314 -7.143 6.780 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.268 -9.094 8.308 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.294 -9.615 6.606 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.778 -9.696 7.584 1.00 0.00 H new ATOM 1515 N GLN A 100 9.269 -7.398 8.237 1.00 0.00 N ATOM 1516 CA GLN A 100 10.101 -6.767 9.298 1.00 0.00 C ATOM 1517 C GLN A 100 9.986 -5.248 9.178 1.00 0.00 C ATOM 1518 O GLN A 100 10.092 -4.526 10.149 1.00 0.00 O ATOM 1519 CB GLN A 100 11.561 -7.189 9.119 1.00 0.00 C ATOM 1520 CG GLN A 100 12.065 -7.861 10.400 1.00 0.00 C ATOM 1521 CD GLN A 100 11.275 -9.149 10.652 1.00 0.00 C ATOM 1522 OE1 GLN A 100 10.297 -9.469 9.850 1.00 0.00 O flip ATOM 1523 NE2 GLN A 100 11.550 -9.868 11.591 1.00 0.00 N flip ATOM 0 H GLN A 100 9.742 -8.110 7.680 1.00 0.00 H new ATOM 0 HA GLN A 100 9.755 -7.086 10.281 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.651 -7.876 8.277 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.175 -6.319 8.887 1.00 0.00 H new ATOM 0 HG2 GLN A 100 13.128 -8.086 10.310 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.953 -7.183 11.246 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.315 -9.618 12.218 1.00 0.00 H new ATOM 0 HE22 GLN A 100 11.016 -10.722 11.753 1.00 0.00 H new ATOM 1532 N ALA A 101 9.760 -4.761 7.988 1.00 0.00 N ATOM 1533 CA ALA A 101 9.629 -3.285 7.801 1.00 0.00 C ATOM 1534 C ALA A 101 8.199 -2.857 8.154 1.00 0.00 C ATOM 1535 O ALA A 101 7.789 -2.926 9.296 1.00 0.00 O ATOM 1536 CB ALA A 101 9.933 -2.919 6.342 1.00 0.00 C ATOM 0 H ALA A 101 9.660 -5.318 7.139 1.00 0.00 H new ATOM 0 HA ALA A 101 10.336 -2.770 8.452 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.836 -1.841 6.209 1.00 0.00 H new ATOM 0 HB2 ALA A 101 10.949 -3.225 6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.230 -3.430 5.685 1.00 0.00 H new ATOM 1542 N GLY A 102 7.441 -2.424 7.177 1.00 0.00 N ATOM 1543 CA GLY A 102 6.038 -1.996 7.427 1.00 0.00 C ATOM 1544 C GLY A 102 5.125 -2.659 6.393 1.00 0.00 C ATOM 1545 O GLY A 102 3.925 -2.480 6.400 1.00 0.00 O ATOM 0 H GLY A 102 7.743 -2.350 6.206 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.732 -2.277 8.435 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.957 -0.911 7.360 1.00 0.00 H new ATOM 1549 N ALA A 103 5.707 -3.444 5.522 1.00 0.00 N ATOM 1550 CA ALA A 103 4.941 -4.177 4.462 1.00 0.00 C ATOM 1551 C ALA A 103 3.855 -5.052 5.090 1.00 0.00 C ATOM 1552 O ALA A 103 3.302 -5.915 4.441 1.00 0.00 O ATOM 1553 CB ALA A 103 5.892 -5.058 3.657 1.00 0.00 C ATOM 0 H ALA A 103 6.713 -3.613 5.500 1.00 0.00 H new ATOM 0 HA ALA A 103 4.470 -3.444 3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.332 -5.589 2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.654 -4.436 3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.370 -5.779 4.321 1.00 0.00 H new ATOM 1559 N SER A 104 3.609 -4.869 6.360 1.00 0.00 N ATOM 1560 CA SER A 104 2.608 -5.707 7.106 1.00 0.00 C ATOM 1561 C SER A 104 1.487 -6.202 6.188 1.00 0.00 C ATOM 1562 O SER A 104 0.967 -7.284 6.380 1.00 0.00 O ATOM 1563 CB SER A 104 1.979 -4.862 8.216 1.00 0.00 C ATOM 1564 OG SER A 104 2.909 -4.715 9.281 1.00 0.00 O ATOM 0 H SER A 104 4.068 -4.158 6.930 1.00 0.00 H new ATOM 0 HA SER A 104 3.133 -6.571 7.513 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.696 -3.884 7.828 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.067 -5.337 8.578 1.00 0.00 H new ATOM 0 HG SER A 104 2.509 -4.173 9.992 1.00 0.00 H new ATOM 1570 N GLY A 105 1.121 -5.437 5.195 1.00 0.00 N ATOM 1571 CA GLY A 105 0.042 -5.884 4.266 1.00 0.00 C ATOM 1572 C GLY A 105 0.633 -6.189 2.888 1.00 0.00 C ATOM 1573 O GLY A 105 1.427 -5.437 2.357 1.00 0.00 O ATOM 0 H GLY A 105 1.522 -4.523 4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.449 -6.772 4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.720 -5.110 4.181 1.00 0.00 H new ATOM 1577 N TYR A 106 0.237 -7.282 2.300 1.00 0.00 N ATOM 1578 CA TYR A 106 0.752 -7.636 0.949 1.00 0.00 C ATOM 1579 C TYR A 106 -0.297 -8.477 0.227 1.00 0.00 C ATOM 1580 O TYR A 106 -0.546 -9.614 0.579 1.00 0.00 O ATOM 1581 CB TYR A 106 2.055 -8.434 1.066 1.00 0.00 C ATOM 1582 CG TYR A 106 1.996 -9.640 0.151 1.00 0.00 C ATOM 1583 CD1 TYR A 106 1.968 -9.476 -1.243 1.00 0.00 C ATOM 1584 CD2 TYR A 106 1.966 -10.930 0.699 1.00 0.00 C ATOM 1585 CE1 TYR A 106 1.910 -10.599 -2.077 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.907 -12.048 -0.136 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.879 -11.883 -1.522 1.00 0.00 C ATOM 1588 OH TYR A 106 1.812 -12.989 -2.341 1.00 0.00 O ATOM 0 H TYR A 106 -0.424 -7.948 2.699 1.00 0.00 H new ATOM 0 HA TYR A 106 0.953 -6.722 0.389 1.00 0.00 H new ATOM 0 HB2 TYR A 106 2.904 -7.804 0.800 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.206 -8.754 2.097 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.991 -8.485 -1.671 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.989 -11.060 1.771 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.889 -10.474 -3.150 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.883 -13.040 0.290 1.00 0.00 H new ATOM 0 HH TYR A 106 1.800 -13.801 -1.793 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.912 -7.926 -0.782 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.939 -8.690 -1.541 1.00 0.00 C ATOM 1600 C VAL A 107 -1.334 -9.130 -2.867 1.00 0.00 C ATOM 1601 O VAL A 107 -0.613 -8.388 -3.506 1.00 0.00 O ATOM 1602 CB VAL A 107 -3.158 -7.807 -1.807 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.713 -6.509 -2.483 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -4.130 -8.555 -2.724 1.00 0.00 C ATOM 0 H VAL A 107 -0.746 -6.976 -1.114 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.253 -9.558 -0.962 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.651 -7.570 -0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.583 -5.880 -2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.017 -5.980 -1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.221 -6.741 -3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.002 -7.930 -2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.635 -8.788 -3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.446 -9.480 -2.242 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.616 -10.325 -3.291 1.00 0.00 N ATOM 1615 CA VAL A 108 -1.050 -10.789 -4.581 1.00 0.00 C ATOM 1616 C VAL A 108 -2.003 -10.377 -5.707 1.00 0.00 C ATOM 1617 O VAL A 108 -3.055 -10.961 -5.882 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.918 -12.318 -4.571 1.00 0.00 C ATOM 1619 CG1 VAL A 108 0.463 -12.727 -5.086 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -1.111 -12.845 -3.147 1.00 0.00 C ATOM 0 H VAL A 108 -2.210 -10.996 -2.804 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.066 -10.345 -4.732 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.683 -12.744 -5.221 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.548 -13.814 -5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.594 -12.363 -6.105 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.232 -12.297 -4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.016 -13.931 -3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.353 -12.413 -2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.101 -12.566 -2.787 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.658 -9.377 -6.468 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.560 -8.938 -7.570 1.00 0.00 C ATOM 1632 C LYS A 109 -2.542 -9.997 -8.686 1.00 0.00 C ATOM 1633 O LYS A 109 -1.602 -10.761 -8.772 1.00 0.00 O ATOM 1634 CB LYS A 109 -2.060 -7.579 -8.092 1.00 0.00 C ATOM 1635 CG LYS A 109 -1.467 -7.698 -9.505 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.864 -6.351 -9.906 1.00 0.00 C ATOM 1637 CE LYS A 109 -0.357 -6.426 -11.347 1.00 0.00 C ATOM 1638 NZ LYS A 109 -1.447 -6.015 -12.276 1.00 0.00 N ATOM 0 H LYS A 109 -0.793 -8.845 -6.376 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.585 -8.829 -7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.885 -6.867 -8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.305 -7.183 -7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.703 -8.475 -9.529 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -2.241 -7.991 -10.215 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.612 -5.564 -9.813 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.045 -6.093 -9.234 1.00 0.00 H new ATOM 0 HE2 LYS A 109 0.509 -5.776 -11.474 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.031 -7.440 -11.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -1.105 -6.065 -13.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.261 -6.652 -12.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.738 -5.040 -12.060 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.548 -10.002 -9.541 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.717 -9.090 -9.477 1.00 0.00 C ATOM 1654 C PRO A 110 -5.674 -9.517 -8.354 1.00 0.00 C ATOM 1655 O PRO A 110 -5.582 -10.610 -7.833 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.426 -9.281 -10.826 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.641 -10.352 -11.625 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.557 -10.915 -10.695 1.00 0.00 C ATOM 0 HA PRO A 110 -4.416 -8.060 -9.284 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.458 -9.598 -10.674 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.459 -8.341 -11.377 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.308 -11.146 -11.961 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.192 -9.914 -12.516 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.787 -11.936 -10.391 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.585 -10.940 -11.188 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.602 -8.666 -7.992 1.00 0.00 N ATOM 1667 CA PHE A 111 -7.577 -9.030 -6.920 1.00 0.00 C ATOM 1668 C PHE A 111 -8.951 -8.471 -7.269 1.00 0.00 C ATOM 1669 O PHE A 111 -9.181 -7.953 -8.344 1.00 0.00 O ATOM 1670 CB PHE A 111 -7.141 -8.442 -5.566 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.711 -7.007 -5.735 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.658 -5.998 -5.972 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -5.358 -6.689 -5.663 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -7.229 -4.677 -6.139 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.932 -5.373 -5.832 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.866 -4.366 -6.073 1.00 0.00 C ATOM 0 H PHE A 111 -6.726 -7.736 -8.393 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.614 -10.117 -6.847 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.964 -8.501 -4.854 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.320 -9.029 -5.154 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.709 -6.240 -6.025 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.633 -7.467 -5.475 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.952 -3.895 -6.319 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.880 -5.133 -5.776 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.538 -3.346 -6.209 1.00 0.00 H new ATOM 1686 N THR A 112 -9.850 -8.557 -6.338 1.00 0.00 N ATOM 1687 CA THR A 112 -11.220 -8.022 -6.534 1.00 0.00 C ATOM 1688 C THR A 112 -11.578 -7.265 -5.262 1.00 0.00 C ATOM 1689 O THR A 112 -11.094 -7.589 -4.196 1.00 0.00 O ATOM 1690 CB THR A 112 -12.205 -9.175 -6.755 1.00 0.00 C ATOM 1691 OG1 THR A 112 -11.520 -10.277 -7.333 1.00 0.00 O ATOM 1692 CG2 THR A 112 -13.324 -8.720 -7.693 1.00 0.00 C ATOM 0 H THR A 112 -9.690 -8.986 -5.427 1.00 0.00 H new ATOM 0 HA THR A 112 -11.268 -7.370 -7.406 1.00 0.00 H new ATOM 0 HB THR A 112 -12.634 -9.474 -5.799 1.00 0.00 H new ATOM 0 HG1 THR A 112 -10.843 -10.606 -6.706 1.00 0.00 H new ATOM 0 HG21 THR A 112 -14.024 -9.541 -7.849 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.850 -7.875 -7.249 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.897 -8.420 -8.650 1.00 0.00 H new ATOM 1700 N ALA A 113 -12.392 -6.254 -5.346 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.729 -5.494 -4.112 1.00 0.00 C ATOM 1702 C ALA A 113 -13.090 -6.468 -3.001 1.00 0.00 C ATOM 1703 O ALA A 113 -12.801 -6.234 -1.849 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.906 -4.552 -4.378 1.00 0.00 C ATOM 0 H ALA A 113 -12.834 -5.923 -6.203 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.866 -4.901 -3.810 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -14.144 -4.001 -3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.639 -3.850 -5.168 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.774 -5.133 -4.688 1.00 0.00 H new ATOM 1710 N ALA A 114 -13.695 -7.570 -3.332 1.00 0.00 N ATOM 1711 CA ALA A 114 -14.035 -8.553 -2.276 1.00 0.00 C ATOM 1712 C ALA A 114 -12.753 -9.264 -1.860 1.00 0.00 C ATOM 1713 O ALA A 114 -12.587 -9.648 -0.719 1.00 0.00 O ATOM 1714 CB ALA A 114 -15.049 -9.565 -2.810 1.00 0.00 C ATOM 0 H ALA A 114 -13.966 -7.830 -4.280 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.478 -8.047 -1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -15.293 -10.283 -2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.955 -9.044 -3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.623 -10.090 -3.665 1.00 0.00 H new ATOM 1720 N THR A 115 -11.829 -9.418 -2.769 1.00 0.00 N ATOM 1721 CA THR A 115 -10.552 -10.076 -2.403 1.00 0.00 C ATOM 1722 C THR A 115 -9.673 -9.048 -1.683 1.00 0.00 C ATOM 1723 O THR A 115 -9.343 -9.232 -0.526 1.00 0.00 O ATOM 1724 CB THR A 115 -9.851 -10.615 -3.650 1.00 0.00 C ATOM 1725 OG1 THR A 115 -10.597 -10.254 -4.802 1.00 0.00 O ATOM 1726 CG2 THR A 115 -9.761 -12.138 -3.561 1.00 0.00 C ATOM 0 H THR A 115 -11.906 -9.118 -3.741 1.00 0.00 H new ATOM 0 HA THR A 115 -10.742 -10.923 -1.744 1.00 0.00 H new ATOM 0 HB THR A 115 -8.848 -10.193 -3.717 1.00 0.00 H new ATOM 0 HG1 THR A 115 -11.352 -10.870 -4.909 1.00 0.00 H new ATOM 0 HG21 THR A 115 -9.262 -12.525 -4.449 1.00 0.00 H new ATOM 0 HG22 THR A 115 -9.193 -12.418 -2.674 1.00 0.00 H new ATOM 0 HG23 THR A 115 -10.765 -12.559 -3.497 1.00 0.00 H new ATOM 1734 N LEU A 116 -9.299 -7.952 -2.320 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.471 -6.959 -1.585 1.00 0.00 C ATOM 1736 C LEU A 116 -9.150 -6.664 -0.237 1.00 0.00 C ATOM 1737 O LEU A 116 -8.495 -6.397 0.752 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.363 -5.651 -2.393 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.892 -5.247 -2.621 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -6.835 -3.804 -3.114 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -6.094 -5.317 -1.324 1.00 0.00 C ATOM 0 H LEU A 116 -9.528 -7.717 -3.286 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.470 -7.361 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.861 -5.774 -3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.883 -4.852 -1.865 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.467 -5.936 -3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.796 -3.516 -3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.386 -3.717 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -7.282 -3.147 -2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.061 -5.027 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -6.531 -4.639 -0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.119 -6.335 -0.936 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.465 -6.710 -0.189 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.173 -6.432 1.091 1.00 0.00 C ATOM 1755 C GLU A 117 -10.816 -7.499 2.127 1.00 0.00 C ATOM 1756 O GLU A 117 -10.339 -7.197 3.205 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.687 -6.446 0.857 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.420 -6.574 2.196 1.00 0.00 C ATOM 1759 CD GLU A 117 -12.749 -5.681 3.240 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -12.661 -4.487 3.002 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -12.334 -6.205 4.260 1.00 0.00 O ATOM 0 H GLU A 117 -11.069 -6.928 -0.981 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.867 -5.452 1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.994 -5.531 0.350 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.955 -7.277 0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -14.465 -6.289 2.078 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.408 -7.612 2.530 1.00 0.00 H new ATOM 1768 N GLU A 118 -11.056 -8.741 1.808 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.744 -9.841 2.766 1.00 0.00 C ATOM 1770 C GLU A 118 -9.369 -9.601 3.386 1.00 0.00 C ATOM 1771 O GLU A 118 -9.144 -9.874 4.548 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.741 -11.179 2.023 1.00 0.00 C ATOM 1773 CG GLU A 118 -11.831 -12.085 2.598 1.00 0.00 C ATOM 1774 CD GLU A 118 -11.913 -13.371 1.774 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -11.771 -13.288 0.566 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -12.119 -14.418 2.367 1.00 0.00 O ATOM 0 H GLU A 118 -11.457 -9.044 0.920 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.499 -9.863 3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.912 -11.016 0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.767 -11.658 2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -11.611 -12.321 3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -12.792 -11.570 2.584 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.448 -9.086 2.621 1.00 0.00 N ATOM 1784 CA LYS A 119 -7.091 -8.822 3.171 1.00 0.00 C ATOM 1785 C LYS A 119 -7.175 -7.704 4.213 1.00 0.00 C ATOM 1786 O LYS A 119 -6.586 -7.786 5.273 1.00 0.00 O ATOM 1787 CB LYS A 119 -6.157 -8.404 2.034 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.091 -9.484 1.816 1.00 0.00 C ATOM 1789 CD LYS A 119 -5.756 -10.798 1.383 1.00 0.00 C ATOM 1790 CE LYS A 119 -5.338 -11.139 -0.048 1.00 0.00 C ATOM 1791 NZ LYS A 119 -5.900 -12.466 -0.426 1.00 0.00 N ATOM 0 H LYS A 119 -8.576 -8.837 1.640 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.702 -9.724 3.643 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.728 -8.254 1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.681 -7.453 2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.381 -9.158 1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.525 -9.639 2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.467 -11.603 2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.840 -10.705 1.443 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.695 -10.372 -0.735 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.251 -11.157 -0.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.616 -12.699 -1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.539 -13.194 0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.938 -12.433 -0.367 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.910 -6.662 3.926 1.00 0.00 N ATOM 1806 CA LEU A 120 -8.032 -5.549 4.911 1.00 0.00 C ATOM 1807 C LEU A 120 -8.506 -6.107 6.256 1.00 0.00 C ATOM 1808 O LEU A 120 -7.816 -6.020 7.252 1.00 0.00 O ATOM 1809 CB LEU A 120 -9.066 -4.516 4.422 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.628 -3.789 3.133 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -9.461 -2.515 2.988 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -7.151 -3.382 3.178 1.00 0.00 C ATOM 0 H LEU A 120 -8.428 -6.534 3.057 1.00 0.00 H new ATOM 0 HA LEU A 120 -7.058 -5.072 5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -10.017 -5.018 4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.236 -3.780 5.208 1.00 0.00 H new ATOM 0 HG LEU A 120 -8.775 -4.472 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -9.165 -1.988 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -10.518 -2.776 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -9.296 -1.872 3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -6.885 -2.874 2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.984 -2.711 4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -6.532 -4.272 3.294 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.684 -6.663 6.294 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.218 -7.210 7.577 1.00 0.00 C ATOM 1826 C ASN A 121 -9.143 -8.016 8.307 1.00 0.00 C ATOM 1827 O ASN A 121 -8.913 -7.839 9.487 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.413 -8.116 7.279 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.334 -8.167 8.500 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -13.403 -7.591 8.493 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -11.961 -8.840 9.553 1.00 0.00 N ATOM 0 H ASN A 121 -10.304 -6.764 5.490 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.526 -6.380 8.213 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.960 -7.741 6.414 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.068 -9.119 7.028 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -12.567 -8.883 10.372 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -11.063 -9.323 9.558 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.499 -8.912 7.621 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.452 -9.749 8.277 1.00 0.00 C ATOM 1840 C LYS A 122 -6.367 -8.868 8.902 1.00 0.00 C ATOM 1841 O LYS A 122 -5.740 -9.242 9.873 1.00 0.00 O ATOM 1842 CB LYS A 122 -6.816 -10.672 7.235 1.00 0.00 C ATOM 1843 CG LYS A 122 -7.800 -11.787 6.870 1.00 0.00 C ATOM 1844 CD LYS A 122 -7.122 -12.777 5.921 1.00 0.00 C ATOM 1845 CE LYS A 122 -8.004 -14.016 5.763 1.00 0.00 C ATOM 1846 NZ LYS A 122 -7.987 -14.803 7.028 1.00 0.00 N ATOM 0 H LYS A 122 -8.650 -9.105 6.631 1.00 0.00 H new ATOM 0 HA LYS A 122 -7.920 -10.339 9.065 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -6.549 -10.103 6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.894 -11.101 7.628 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -8.134 -12.301 7.771 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -8.687 -11.364 6.398 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.954 -12.310 4.950 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -6.145 -13.060 6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -9.025 -13.720 5.520 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -7.644 -14.629 4.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -8.237 -15.792 6.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -7.036 -14.765 7.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -8.676 -14.402 7.696 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.120 -7.712 8.351 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.057 -6.834 8.921 1.00 0.00 C ATOM 1862 C ILE A 123 -5.637 -5.900 9.985 1.00 0.00 C ATOM 1863 O ILE A 123 -5.050 -5.700 11.029 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.431 -5.996 7.805 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.381 -6.845 7.076 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.769 -4.749 8.412 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -2.832 -6.088 5.864 1.00 0.00 C ATOM 0 H ILE A 123 -6.605 -7.338 7.535 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.299 -7.467 9.383 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.199 -5.681 7.098 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.567 -7.093 7.757 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.825 -7.787 6.754 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.322 -4.151 7.618 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.520 -4.156 8.934 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.994 -5.054 9.115 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.088 -6.703 5.357 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.647 -5.863 5.176 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.369 -5.158 6.195 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.763 -5.299 9.722 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.342 -4.355 10.712 1.00 0.00 C ATOM 1881 C PHE A 124 -7.600 -5.062 12.040 1.00 0.00 C ATOM 1882 O PHE A 124 -7.878 -4.431 13.040 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.633 -3.769 10.156 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.269 -2.645 9.221 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.836 -1.416 9.734 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.342 -2.840 7.841 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.481 -0.380 8.860 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -7.986 -1.806 6.970 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.557 -0.579 7.475 1.00 0.00 C ATOM 0 H PHE A 124 -7.305 -5.421 8.866 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.633 -3.548 10.895 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.203 -4.534 9.629 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.265 -3.402 10.965 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.776 -1.267 10.802 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.673 -3.789 7.446 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -7.150 0.570 9.253 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.043 -1.958 5.902 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.283 0.218 6.799 1.00 0.00 H new ATOM 1899 N GLU A 125 -7.487 -6.358 12.076 1.00 0.00 N ATOM 1900 CA GLU A 125 -7.702 -7.067 13.365 1.00 0.00 C ATOM 1901 C GLU A 125 -6.538 -6.719 14.290 1.00 0.00 C ATOM 1902 O GLU A 125 -6.633 -6.822 15.497 1.00 0.00 O ATOM 1903 CB GLU A 125 -7.750 -8.578 13.129 1.00 0.00 C ATOM 1904 CG GLU A 125 -8.969 -9.165 13.842 1.00 0.00 C ATOM 1905 CD GLU A 125 -8.854 -8.910 15.347 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -9.276 -7.853 15.782 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -8.346 -9.779 16.038 1.00 0.00 O ATOM 0 H GLU A 125 -7.258 -6.952 11.279 1.00 0.00 H new ATOM 0 HA GLU A 125 -8.647 -6.762 13.814 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -7.803 -8.789 12.061 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -6.838 -9.044 13.501 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -9.882 -8.713 13.455 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -9.036 -10.236 13.648 1.00 0.00 H new ATOM 1914 N LYS A 126 -5.446 -6.287 13.722 1.00 0.00 N ATOM 1915 CA LYS A 126 -4.271 -5.902 14.547 1.00 0.00 C ATOM 1916 C LYS A 126 -4.317 -4.391 14.774 1.00 0.00 C ATOM 1917 O LYS A 126 -3.900 -3.892 15.800 1.00 0.00 O ATOM 1918 CB LYS A 126 -2.982 -6.277 13.811 1.00 0.00 C ATOM 1919 CG LYS A 126 -2.945 -7.792 13.592 1.00 0.00 C ATOM 1920 CD LYS A 126 -1.935 -8.127 12.492 1.00 0.00 C ATOM 1921 CE LYS A 126 -1.950 -9.634 12.229 1.00 0.00 C ATOM 1922 NZ LYS A 126 -0.899 -9.974 11.229 1.00 0.00 N ATOM 0 H LYS A 126 -5.318 -6.184 12.715 1.00 0.00 H new ATOM 0 HA LYS A 126 -4.294 -6.424 15.503 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -2.933 -5.759 12.853 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -2.114 -5.961 14.390 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -2.670 -8.297 14.518 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -3.935 -8.154 13.313 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -2.182 -7.585 11.579 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -0.936 -7.809 12.791 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -1.774 -10.178 13.157 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -2.929 -9.940 11.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -0.909 -10.998 11.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -1.087 -9.465 10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 0.033 -9.696 11.597 1.00 0.00 H new ATOM 1936 N LEU A 127 -4.837 -3.662 13.823 1.00 0.00 N ATOM 1937 CA LEU A 127 -4.932 -2.184 13.984 1.00 0.00 C ATOM 1938 C LEU A 127 -6.144 -1.869 14.864 1.00 0.00 C ATOM 1939 O LEU A 127 -6.221 -0.826 15.482 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.099 -1.520 12.604 1.00 0.00 C ATOM 1941 CG LEU A 127 -4.049 -0.417 12.410 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -4.178 0.628 13.521 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -2.646 -1.028 12.441 1.00 0.00 C ATOM 0 H LEU A 127 -5.200 -4.027 12.942 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.025 -1.799 14.449 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.998 -2.269 11.818 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.100 -1.098 12.515 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.213 0.064 11.446 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.430 1.407 13.376 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -5.174 1.071 13.490 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.023 0.151 14.489 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.904 -0.242 12.303 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -2.483 -1.516 13.402 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.551 -1.762 11.640 1.00 0.00 H new ATOM 1955 N GLY A 128 -7.089 -2.771 14.935 1.00 0.00 N ATOM 1956 CA GLY A 128 -8.289 -2.525 15.782 1.00 0.00 C ATOM 1957 C GLY A 128 -8.823 -1.119 15.515 1.00 0.00 C ATOM 1958 O GLY A 128 -8.452 -0.167 16.173 1.00 0.00 O ATOM 0 H GLY A 128 -7.080 -3.665 14.443 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -9.059 -3.265 15.564 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -8.032 -2.634 16.836 1.00 0.00 H new ATOM 1962 N MET A 129 -9.690 -0.979 14.553 1.00 0.00 N ATOM 1963 CA MET A 129 -10.247 0.366 14.240 1.00 0.00 C ATOM 1964 C MET A 129 -11.512 0.599 15.068 1.00 0.00 C ATOM 1965 O MET A 129 -12.087 1.668 14.947 1.00 0.00 O ATOM 1966 CB MET A 129 -10.593 0.441 12.751 1.00 0.00 C ATOM 1967 CG MET A 129 -10.782 -0.973 12.197 1.00 0.00 C ATOM 1968 SD MET A 129 -11.966 -1.871 13.230 1.00 0.00 S ATOM 1969 CE MET A 129 -11.702 -3.509 12.509 1.00 0.00 C ATOM 1970 OXT MET A 129 -11.883 -0.295 15.811 1.00 0.00 O ATOM 0 H MET A 129 -10.038 -1.739 13.969 1.00 0.00 H new ATOM 0 HA MET A 129 -9.508 1.130 14.481 1.00 0.00 H new ATOM 0 HB2 MET A 129 -11.503 1.024 12.608 1.00 0.00 H new ATOM 0 HB3 MET A 129 -9.798 0.952 12.208 1.00 0.00 H new ATOM 0 HG2 MET A 129 -11.141 -0.927 11.169 1.00 0.00 H new ATOM 0 HG3 MET A 129 -9.827 -1.499 12.178 1.00 0.00 H new ATOM 0 HE1 MET A 129 -12.442 -4.204 12.905 1.00 0.00 H new ATOM 0 HE2 MET A 129 -11.803 -3.450 11.425 1.00 0.00 H new ATOM 0 HE3 MET A 129 -10.702 -3.861 12.762 1.00 0.00 H new