USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 653 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 38 SER OG : rot 8:sc= -1.72! USER MOD Set 1.2: A 46 THR OG1 : rot 127:sc= 1.28 USER MOD Set 1.3: A 69 GLN : amide:sc= -0.128 K(o=-0.57,f=-8.6!) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 139:sc= -2.51 (180deg=-5.59!) USER MOD Set 2.2: A 96 GLN :FLIP amide:sc= -6.62! F(o=-10,f=-9.1!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -1.36 K(o=-1.4,f=-3.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.613 F(o=-1.9,f=-0.61) USER MOD Single : A 52 MET CE :methyl -163:sc= -3.12! (180deg=-5.35!) USER MOD Single : A 53 MET CE :methyl -165:sc= -2.55! (180deg=-2.83) USER MOD Single : A 54 HIS : no HE2:sc= 0.113 K(o=0.11,f=-0.58) USER MOD Single : A 60 LYS NZ :NH3+ -129:sc= -0.155 (180deg=-0.873) USER MOD Single : A 61 SER OG : rot -74:sc= -5.59! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.0815 X(o=0.081,f=-0.091) USER MOD Single : A 71 MET CE :methyl -130:sc= -2.74 (180deg=-3.67!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.228 K(o=-0.23,f=-3.2!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0401 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 72:sc= -0.847 USER MOD Single : A 87 GLN : amide:sc= -6.06! C(o=-6.1!,f=-11!) USER MOD Single : A 88 SER OG : rot 99:sc= 1.13 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.342 X(o=-0.34,f=-0.51) USER MOD Single : A 97 SER OG : rot -135:sc= -2.69 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN :FLIP amide:sc= -1.06 F(o=-2.2,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 16 N PHE A 18 -0.592 -5.485 -10.624 1.00 0.00 N ATOM 17 CA PHE A 18 0.403 -4.505 -10.203 1.00 0.00 C ATOM 18 C PHE A 18 -0.101 -3.084 -10.441 1.00 0.00 C ATOM 19 O PHE A 18 -0.871 -2.839 -11.370 1.00 0.00 O ATOM 20 CB PHE A 18 1.709 -4.726 -10.959 1.00 0.00 C ATOM 21 CG PHE A 18 2.720 -5.541 -10.201 1.00 0.00 C ATOM 22 CD1 PHE A 18 3.618 -4.927 -9.341 1.00 0.00 C ATOM 23 CD2 PHE A 18 2.775 -6.916 -10.354 1.00 0.00 C ATOM 24 CE1 PHE A 18 4.552 -5.673 -8.649 1.00 0.00 C ATOM 25 CE2 PHE A 18 3.706 -7.666 -9.663 1.00 0.00 C ATOM 26 CZ PHE A 18 4.596 -7.045 -8.809 1.00 0.00 C ATOM 0 HA PHE A 18 0.580 -4.635 -9.135 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.491 -5.223 -11.904 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.146 -3.757 -11.202 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.587 -3.855 -9.211 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.082 -7.407 -11.021 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.248 -5.184 -7.983 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.738 -8.738 -9.790 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.325 -7.630 -8.268 1.00 0.00 H new ATOM 36 N LYS A 19 0.332 -2.150 -9.597 1.00 0.00 N ATOM 37 CA LYS A 19 -0.089 -0.761 -9.724 1.00 0.00 C ATOM 38 C LYS A 19 1.050 0.213 -9.419 1.00 0.00 C ATOM 39 O LYS A 19 1.558 0.257 -8.298 1.00 0.00 O ATOM 40 CB LYS A 19 -1.264 -0.490 -8.788 1.00 0.00 C ATOM 41 CG LYS A 19 -2.470 0.085 -9.502 1.00 0.00 C ATOM 42 CD LYS A 19 -3.763 -0.317 -8.818 1.00 0.00 C ATOM 43 CE LYS A 19 -4.238 -1.684 -9.280 1.00 0.00 C ATOM 44 NZ LYS A 19 -5.375 -2.184 -8.457 1.00 0.00 N ATOM 0 H LYS A 19 0.971 -2.330 -8.822 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.393 -0.601 -10.759 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.550 -1.419 -8.294 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.947 0.201 -8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.394 1.172 -9.530 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.481 -0.260 -10.536 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.616 -0.328 -7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.532 0.426 -9.027 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.543 -1.628 -10.325 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.412 -2.393 -9.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.670 -3.119 -8.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.077 -2.261 -7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.173 -1.521 -8.528 1.00 0.00 H new ATOM 58 N ASP A 20 1.424 1.011 -10.417 1.00 0.00 N ATOM 59 CA ASP A 20 2.478 2.010 -10.248 1.00 0.00 C ATOM 60 C ASP A 20 1.936 3.194 -9.463 1.00 0.00 C ATOM 61 O ASP A 20 1.570 4.220 -10.040 1.00 0.00 O ATOM 62 CB ASP A 20 3.000 2.477 -11.609 1.00 0.00 C ATOM 63 CG ASP A 20 3.263 1.323 -12.556 1.00 0.00 C ATOM 64 OD1 ASP A 20 2.322 0.546 -12.823 1.00 0.00 O ATOM 65 OD2 ASP A 20 4.411 1.197 -13.032 1.00 0.00 O ATOM 0 H ASP A 20 1.014 0.986 -11.350 1.00 0.00 H new ATOM 0 HA ASP A 20 3.305 1.560 -9.699 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.275 3.155 -12.060 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.920 3.043 -11.467 1.00 0.00 H new ATOM 70 N VAL A 21 1.873 3.042 -8.147 1.00 0.00 N ATOM 71 CA VAL A 21 1.356 4.093 -7.286 1.00 0.00 C ATOM 72 C VAL A 21 2.321 5.260 -7.188 1.00 0.00 C ATOM 73 O VAL A 21 3.495 5.088 -6.858 1.00 0.00 O ATOM 74 CB VAL A 21 1.057 3.573 -5.867 1.00 0.00 C ATOM 75 CG1 VAL A 21 0.435 4.670 -5.013 1.00 0.00 C ATOM 76 CG2 VAL A 21 0.148 2.357 -5.927 1.00 0.00 C ATOM 0 H VAL A 21 2.174 2.201 -7.654 1.00 0.00 H new ATOM 0 HA VAL A 21 0.427 4.433 -7.744 1.00 0.00 H new ATOM 0 HB VAL A 21 1.998 3.275 -5.404 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.231 4.283 -4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.125 5.511 -4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.497 5.003 -5.470 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.053 2.003 -4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.791 2.628 -6.410 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.635 1.567 -6.498 1.00 0.00 H new ATOM 86 N PHE A 22 1.807 6.451 -7.457 1.00 0.00 N ATOM 87 CA PHE A 22 2.610 7.656 -7.379 1.00 0.00 C ATOM 88 C PHE A 22 2.038 8.585 -6.318 1.00 0.00 C ATOM 89 O PHE A 22 1.034 9.258 -6.550 1.00 0.00 O ATOM 90 CB PHE A 22 2.625 8.372 -8.735 1.00 0.00 C ATOM 91 CG PHE A 22 3.940 9.017 -9.089 1.00 0.00 C ATOM 92 CD1 PHE A 22 5.001 9.038 -8.192 1.00 0.00 C ATOM 93 CD2 PHE A 22 4.114 9.599 -10.335 1.00 0.00 C ATOM 94 CE1 PHE A 22 6.199 9.624 -8.533 1.00 0.00 C ATOM 95 CE2 PHE A 22 5.316 10.183 -10.680 1.00 0.00 C ATOM 96 CZ PHE A 22 6.359 10.194 -9.776 1.00 0.00 C ATOM 0 H PHE A 22 0.837 6.606 -7.731 1.00 0.00 H new ATOM 0 HA PHE A 22 3.631 7.383 -7.112 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.366 7.654 -9.513 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.848 9.137 -8.736 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.884 8.590 -7.216 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.299 9.595 -11.044 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.014 9.637 -7.825 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.440 10.630 -11.655 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.301 10.650 -10.044 1.00 0.00 H new ATOM 106 N ILE A 23 2.678 8.623 -5.158 1.00 0.00 N ATOM 107 CA ILE A 23 2.216 9.479 -4.075 1.00 0.00 C ATOM 108 C ILE A 23 3.038 10.753 -4.024 1.00 0.00 C ATOM 109 O ILE A 23 4.179 10.752 -3.562 1.00 0.00 O ATOM 110 CB ILE A 23 2.291 8.768 -2.711 1.00 0.00 C ATOM 111 CG1 ILE A 23 1.782 7.328 -2.836 1.00 0.00 C ATOM 112 CG2 ILE A 23 1.498 9.540 -1.664 1.00 0.00 C ATOM 113 CD1 ILE A 23 0.277 7.213 -2.969 1.00 0.00 C ATOM 0 H ILE A 23 3.512 8.076 -4.943 1.00 0.00 H new ATOM 0 HA ILE A 23 1.172 9.720 -4.277 1.00 0.00 H new ATOM 0 HB ILE A 23 3.331 8.735 -2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.249 6.863 -3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.103 6.763 -1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.561 9.024 -0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.910 10.544 -1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.455 9.605 -1.973 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.002 6.163 -3.052 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.200 7.646 -2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.051 7.747 -3.860 1.00 0.00 H new ATOM 125 N GLU A 24 2.449 11.835 -4.506 1.00 0.00 N ATOM 126 CA GLU A 24 3.121 13.124 -4.527 1.00 0.00 C ATOM 127 C GLU A 24 2.617 14.010 -3.393 1.00 0.00 C ATOM 128 O GLU A 24 1.457 14.423 -3.382 1.00 0.00 O ATOM 129 CB GLU A 24 2.898 13.811 -5.875 1.00 0.00 C ATOM 130 CG GLU A 24 3.131 12.894 -7.067 1.00 0.00 C ATOM 131 CD GLU A 24 1.985 12.922 -8.059 1.00 0.00 C ATOM 132 OE1 GLU A 24 1.760 13.983 -8.676 1.00 0.00 O ATOM 133 OE2 GLU A 24 1.311 11.882 -8.217 1.00 0.00 O ATOM 0 H GLU A 24 1.504 11.846 -4.889 1.00 0.00 H new ATOM 0 HA GLU A 24 4.189 12.960 -4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.878 14.194 -5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.565 14.670 -5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.051 13.188 -7.572 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.275 11.873 -6.712 1.00 0.00 H new ATOM 140 N LYS A 25 3.494 14.290 -2.438 1.00 0.00 N ATOM 141 CA LYS A 25 3.137 15.119 -1.293 1.00 0.00 C ATOM 142 C LYS A 25 4.172 16.218 -1.077 1.00 0.00 C ATOM 143 O LYS A 25 5.050 16.431 -1.911 1.00 0.00 O ATOM 144 CB LYS A 25 3.012 14.257 -0.033 1.00 0.00 C ATOM 145 CG LYS A 25 4.316 13.596 0.392 1.00 0.00 C ATOM 146 CD LYS A 25 4.065 12.368 1.249 1.00 0.00 C ATOM 147 CE LYS A 25 4.058 11.094 0.418 1.00 0.00 C ATOM 148 NZ LYS A 25 5.025 10.087 0.934 1.00 0.00 N ATOM 0 H LYS A 25 4.458 13.956 -2.433 1.00 0.00 H new ATOM 0 HA LYS A 25 2.175 15.588 -1.497 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.647 14.877 0.785 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.263 13.484 -0.206 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.887 13.313 -0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.923 14.311 0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.835 12.297 2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.110 12.472 1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.055 10.667 0.418 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.302 11.335 -0.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.595 9.141 0.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.885 10.101 0.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.271 10.315 1.919 1.00 0.00 H new ATOM 162 N GLN A 26 4.060 16.913 0.048 1.00 0.00 N ATOM 163 CA GLN A 26 4.988 17.987 0.375 1.00 0.00 C ATOM 164 C GLN A 26 6.104 17.474 1.273 1.00 0.00 C ATOM 165 O GLN A 26 5.912 16.525 2.034 1.00 0.00 O ATOM 166 CB GLN A 26 4.254 19.135 1.069 1.00 0.00 C ATOM 167 CG GLN A 26 3.524 20.062 0.111 1.00 0.00 C ATOM 168 CD GLN A 26 2.512 19.330 -0.749 1.00 0.00 C ATOM 169 OE1 GLN A 26 1.908 18.348 -0.319 1.00 0.00 O ATOM 170 NE2 GLN A 26 2.321 19.808 -1.973 1.00 0.00 N ATOM 0 H GLN A 26 3.336 16.752 0.748 1.00 0.00 H new ATOM 0 HA GLN A 26 5.423 18.354 -0.554 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.536 18.720 1.777 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.972 19.717 1.647 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.016 20.841 0.680 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.250 20.559 -0.532 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.844 20.625 -2.289 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.652 19.358 -2.597 1.00 0.00 H new ATOM 179 N LYS A 27 7.268 18.105 1.186 1.00 0.00 N ATOM 180 CA LYS A 27 8.405 17.705 2.002 1.00 0.00 C ATOM 181 C LYS A 27 8.076 17.849 3.482 1.00 0.00 C ATOM 182 O LYS A 27 7.459 18.827 3.900 1.00 0.00 O ATOM 183 CB LYS A 27 9.634 18.533 1.644 1.00 0.00 C ATOM 184 CG LYS A 27 10.102 18.312 0.217 1.00 0.00 C ATOM 185 CD LYS A 27 11.536 17.812 0.168 1.00 0.00 C ATOM 186 CE LYS A 27 11.865 17.196 -1.182 1.00 0.00 C ATOM 187 NZ LYS A 27 13.300 17.371 -1.540 1.00 0.00 N ATOM 0 H LYS A 27 7.448 18.891 0.562 1.00 0.00 H new ATOM 0 HA LYS A 27 8.624 16.657 1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.408 19.590 1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.445 18.285 2.329 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.448 17.591 -0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.022 19.245 -0.341 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.218 18.639 0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.692 17.073 0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.623 16.133 -1.164 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.241 17.653 -1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.482 16.937 -2.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.526 18.385 -1.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.896 16.913 -0.821 1.00 0.00 H new ATOM 201 N GLY A 28 8.470 16.854 4.261 1.00 0.00 N ATOM 202 CA GLY A 28 8.188 16.866 5.679 1.00 0.00 C ATOM 203 C GLY A 28 6.863 16.198 5.989 1.00 0.00 C ATOM 204 O GLY A 28 6.353 16.299 7.107 1.00 0.00 O ATOM 0 H GLY A 28 8.982 16.035 3.934 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.988 16.355 6.214 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.171 17.895 6.039 1.00 0.00 H new ATOM 208 N GLU A 29 6.302 15.516 4.991 1.00 0.00 N ATOM 209 CA GLU A 29 5.024 14.830 5.155 1.00 0.00 C ATOM 210 C GLU A 29 5.155 13.339 4.858 1.00 0.00 C ATOM 211 O GLU A 29 5.790 12.945 3.880 1.00 0.00 O ATOM 212 CB GLU A 29 3.970 15.451 4.237 1.00 0.00 C ATOM 213 CG GLU A 29 3.911 16.968 4.320 1.00 0.00 C ATOM 214 CD GLU A 29 3.362 17.458 5.647 1.00 0.00 C ATOM 215 OE1 GLU A 29 2.471 16.784 6.205 1.00 0.00 O ATOM 216 OE2 GLU A 29 3.826 18.513 6.128 1.00 0.00 O ATOM 0 H GLU A 29 6.713 15.425 4.062 1.00 0.00 H new ATOM 0 HA GLU A 29 4.712 14.946 6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.179 15.159 3.208 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.992 15.043 4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.911 17.376 4.172 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.288 17.349 3.510 1.00 0.00 H new ATOM 223 N ILE A 30 4.552 12.513 5.708 1.00 0.00 N ATOM 224 CA ILE A 30 4.599 11.073 5.537 1.00 0.00 C ATOM 225 C ILE A 30 3.486 10.592 4.610 1.00 0.00 C ATOM 226 O ILE A 30 2.406 11.178 4.569 1.00 0.00 O ATOM 227 CB ILE A 30 4.483 10.349 6.890 1.00 0.00 C ATOM 228 CG1 ILE A 30 3.114 10.607 7.510 1.00 0.00 C ATOM 229 CG2 ILE A 30 5.594 10.795 7.828 1.00 0.00 C ATOM 230 CD1 ILE A 30 2.367 9.341 7.882 1.00 0.00 C ATOM 0 H ILE A 30 4.024 12.823 6.524 1.00 0.00 H new ATOM 0 HA ILE A 30 5.563 10.835 5.088 1.00 0.00 H new ATOM 0 HB ILE A 30 4.589 9.277 6.724 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.238 11.221 8.402 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.510 11.183 6.809 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.497 10.274 8.780 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.561 10.562 7.383 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.521 11.870 7.994 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.402 9.602 8.317 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.210 8.735 6.989 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.951 8.774 8.607 1.00 0.00 H new ATOM 242 N LEU A 31 3.758 9.522 3.870 1.00 0.00 N ATOM 243 CA LEU A 31 2.783 8.957 2.941 1.00 0.00 C ATOM 244 C LEU A 31 1.416 8.800 3.604 1.00 0.00 C ATOM 245 O LEU A 31 0.389 9.128 3.013 1.00 0.00 O ATOM 246 CB LEU A 31 3.276 7.599 2.434 1.00 0.00 C ATOM 247 CG LEU A 31 2.935 7.283 0.978 1.00 0.00 C ATOM 248 CD1 LEU A 31 4.055 6.480 0.333 1.00 0.00 C ATOM 249 CD2 LEU A 31 1.616 6.529 0.891 1.00 0.00 C ATOM 0 H LEU A 31 4.649 9.026 3.895 1.00 0.00 H new ATOM 0 HA LEU A 31 2.675 9.643 2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.359 7.556 2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.854 6.818 3.067 1.00 0.00 H new ATOM 0 HG LEU A 31 2.829 8.222 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.797 6.263 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.980 7.056 0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.192 5.545 0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.389 6.312 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.694 5.595 1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.819 7.139 1.316 1.00 0.00 H new ATOM 261 N GLY A 32 1.415 8.305 4.838 1.00 0.00 N ATOM 262 CA GLY A 32 0.170 8.125 5.560 1.00 0.00 C ATOM 263 C GLY A 32 -0.363 6.706 5.491 1.00 0.00 C ATOM 264 O GLY A 32 -1.456 6.427 5.986 1.00 0.00 O ATOM 0 H GLY A 32 2.252 8.026 5.349 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.321 8.399 6.604 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.578 8.807 5.156 1.00 0.00 H new ATOM 268 N VAL A 33 0.399 5.802 4.882 1.00 0.00 N ATOM 269 CA VAL A 33 -0.025 4.411 4.766 1.00 0.00 C ATOM 270 C VAL A 33 0.579 3.555 5.870 1.00 0.00 C ATOM 271 O VAL A 33 1.742 3.724 6.237 1.00 0.00 O ATOM 272 CB VAL A 33 0.356 3.799 3.405 1.00 0.00 C ATOM 273 CG1 VAL A 33 -0.562 4.317 2.310 1.00 0.00 C ATOM 274 CG2 VAL A 33 1.814 4.082 3.079 1.00 0.00 C ATOM 0 H VAL A 33 1.307 6.006 4.464 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.111 4.418 4.858 1.00 0.00 H new ATOM 0 HB VAL A 33 0.230 2.718 3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.277 3.873 1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.593 4.048 2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.476 5.402 2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.063 3.641 2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.975 5.159 3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.450 3.649 3.851 1.00 0.00 H new ATOM 284 N VAL A 34 -0.219 2.630 6.388 1.00 0.00 N ATOM 285 CA VAL A 34 0.233 1.735 7.444 1.00 0.00 C ATOM 286 C VAL A 34 0.175 0.289 6.970 1.00 0.00 C ATOM 287 O VAL A 34 -0.889 -0.334 6.972 1.00 0.00 O ATOM 288 CB VAL A 34 -0.622 1.886 8.721 1.00 0.00 C ATOM 289 CG1 VAL A 34 0.144 1.385 9.934 1.00 0.00 C ATOM 290 CG2 VAL A 34 -1.045 3.337 8.916 1.00 0.00 C ATOM 0 H VAL A 34 -1.184 2.480 6.093 1.00 0.00 H new ATOM 0 HA VAL A 34 1.262 2.005 7.683 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.522 1.281 8.607 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.472 1.498 10.826 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.394 0.333 9.797 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.060 1.964 10.050 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.646 3.422 9.821 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.159 3.965 9.009 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.633 3.663 8.058 1.00 0.00 H new ATOM 300 N ILE A 35 1.320 -0.242 6.549 1.00 0.00 N ATOM 301 CA ILE A 35 1.373 -1.613 6.061 1.00 0.00 C ATOM 302 C ILE A 35 1.850 -2.581 7.135 1.00 0.00 C ATOM 303 O ILE A 35 2.620 -2.216 8.023 1.00 0.00 O ATOM 304 CB ILE A 35 2.272 -1.761 4.817 1.00 0.00 C ATOM 305 CG1 ILE A 35 3.606 -1.029 4.993 1.00 0.00 C ATOM 306 CG2 ILE A 35 1.551 -1.249 3.579 1.00 0.00 C ATOM 307 CD1 ILE A 35 4.473 -1.579 6.104 1.00 0.00 C ATOM 0 H ILE A 35 2.213 0.251 6.536 1.00 0.00 H new ATOM 0 HA ILE A 35 0.349 -1.863 5.783 1.00 0.00 H new ATOM 0 HB ILE A 35 2.489 -2.822 4.691 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.161 -1.078 4.056 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.406 0.024 5.191 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.198 -1.360 2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.637 -1.823 3.427 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.301 -0.197 3.713 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.398 -1.005 6.162 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.940 -1.505 7.052 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.706 -2.624 5.900 1.00 0.00 H new ATOM 319 N VAL A 36 1.391 -3.824 7.037 1.00 0.00 N ATOM 320 CA VAL A 36 1.766 -4.863 7.986 1.00 0.00 C ATOM 321 C VAL A 36 2.243 -6.112 7.250 1.00 0.00 C ATOM 322 O VAL A 36 2.020 -6.258 6.050 1.00 0.00 O ATOM 323 CB VAL A 36 0.593 -5.239 8.911 1.00 0.00 C ATOM 324 CG1 VAL A 36 0.406 -4.183 9.991 1.00 0.00 C ATOM 325 CG2 VAL A 36 -0.685 -5.424 8.108 1.00 0.00 C ATOM 0 H VAL A 36 0.754 -4.137 6.304 1.00 0.00 H new ATOM 0 HA VAL A 36 2.575 -4.463 8.597 1.00 0.00 H new ATOM 0 HB VAL A 36 0.827 -6.186 9.397 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.427 -4.465 10.635 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.316 -4.107 10.587 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.195 -3.220 9.526 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.502 -5.689 8.780 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.927 -4.496 7.591 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.543 -6.220 7.377 1.00 0.00 H new ATOM 335 N GLU A 37 2.906 -7.006 7.974 1.00 0.00 N ATOM 336 CA GLU A 37 3.418 -8.237 7.381 1.00 0.00 C ATOM 337 C GLU A 37 2.283 -9.125 6.873 1.00 0.00 C ATOM 338 O GLU A 37 1.608 -9.794 7.656 1.00 0.00 O ATOM 339 CB GLU A 37 4.270 -9.000 8.397 1.00 0.00 C ATOM 340 CG GLU A 37 5.743 -9.058 8.034 1.00 0.00 C ATOM 341 CD GLU A 37 6.468 -10.204 8.712 1.00 0.00 C ATOM 342 OE1 GLU A 37 6.105 -10.540 9.858 1.00 0.00 O ATOM 343 OE2 GLU A 37 7.400 -10.764 8.095 1.00 0.00 O ATOM 0 H GLU A 37 3.102 -6.903 8.970 1.00 0.00 H new ATOM 0 HA GLU A 37 4.039 -7.964 6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.164 -8.529 9.374 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.887 -10.016 8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.843 -9.159 6.953 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.219 -8.117 8.312 1.00 0.00 H new ATOM 350 N SER A 38 2.088 -9.132 5.557 1.00 0.00 N ATOM 351 CA SER A 38 1.044 -9.945 4.935 1.00 0.00 C ATOM 352 C SER A 38 1.202 -11.414 5.321 1.00 0.00 C ATOM 353 O SER A 38 2.318 -11.917 5.439 1.00 0.00 O ATOM 354 CB SER A 38 1.097 -9.798 3.413 1.00 0.00 C ATOM 355 OG SER A 38 2.392 -10.085 2.914 1.00 0.00 O ATOM 0 H SER A 38 2.640 -8.583 4.898 1.00 0.00 H new ATOM 0 HA SER A 38 0.077 -9.593 5.294 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.371 -10.470 2.955 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.813 -8.783 3.133 1.00 0.00 H new ATOM 0 HG SER A 38 2.950 -10.440 3.637 1.00 0.00 H new ATOM 448 N PRO A 45 3.932 -12.602 -0.094 1.00 0.00 N ATOM 449 CA PRO A 45 3.898 -11.854 1.167 1.00 0.00 C ATOM 450 C PRO A 45 4.951 -10.751 1.230 1.00 0.00 C ATOM 451 O PRO A 45 6.137 -10.999 1.013 1.00 0.00 O ATOM 452 CB PRO A 45 4.180 -12.921 2.225 1.00 0.00 C ATOM 453 CG PRO A 45 3.741 -14.201 1.601 1.00 0.00 C ATOM 454 CD PRO A 45 4.017 -14.058 0.131 1.00 0.00 C ATOM 0 HA PRO A 45 2.946 -11.340 1.301 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.238 -12.950 2.485 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.631 -12.721 3.145 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.286 -15.047 2.020 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.682 -14.382 1.784 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.000 -14.448 -0.133 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.287 -14.600 -0.469 1.00 0.00 H new ATOM 462 N THR A 46 4.506 -9.535 1.534 1.00 0.00 N ATOM 463 CA THR A 46 5.408 -8.391 1.637 1.00 0.00 C ATOM 464 C THR A 46 4.897 -7.386 2.666 1.00 0.00 C ATOM 465 O THR A 46 5.469 -7.245 3.747 1.00 0.00 O ATOM 466 CB THR A 46 5.566 -7.707 0.278 1.00 0.00 C ATOM 467 OG1 THR A 46 4.311 -7.266 -0.212 1.00 0.00 O ATOM 468 CG2 THR A 46 6.183 -8.596 -0.777 1.00 0.00 C ATOM 0 H THR A 46 3.526 -9.316 1.713 1.00 0.00 H new ATOM 0 HA THR A 46 6.380 -8.760 1.963 1.00 0.00 H new ATOM 0 HB THR A 46 6.238 -6.868 0.458 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.366 -6.316 -0.445 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.265 -8.046 -1.714 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.175 -8.910 -0.453 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.555 -9.474 -0.926 1.00 0.00 H new ATOM 476 N VAL A 47 3.821 -6.684 2.319 1.00 0.00 N ATOM 477 CA VAL A 47 3.238 -5.688 3.213 1.00 0.00 C ATOM 478 C VAL A 47 1.783 -5.396 2.846 1.00 0.00 C ATOM 479 O VAL A 47 1.422 -5.368 1.670 1.00 0.00 O ATOM 480 CB VAL A 47 4.040 -4.368 3.200 1.00 0.00 C ATOM 481 CG1 VAL A 47 4.918 -4.275 4.438 1.00 0.00 C ATOM 482 CG2 VAL A 47 4.878 -4.245 1.936 1.00 0.00 C ATOM 0 H VAL A 47 3.336 -6.786 1.427 1.00 0.00 H new ATOM 0 HA VAL A 47 3.277 -6.112 4.217 1.00 0.00 H new ATOM 0 HB VAL A 47 3.332 -3.539 3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.478 -3.340 4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.293 -4.304 5.330 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.613 -5.114 4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.431 -3.306 1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.579 -5.078 1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.225 -4.263 1.063 1.00 0.00 H new ATOM 492 N ILE A 48 0.954 -5.182 3.866 1.00 0.00 N ATOM 493 CA ILE A 48 -0.463 -4.894 3.658 1.00 0.00 C ATOM 494 C ILE A 48 -0.842 -3.539 4.231 1.00 0.00 C ATOM 495 O ILE A 48 -0.748 -3.336 5.437 1.00 0.00 O ATOM 496 CB ILE A 48 -1.392 -5.934 4.333 1.00 0.00 C ATOM 497 CG1 ILE A 48 -0.654 -7.222 4.706 1.00 0.00 C ATOM 498 CG2 ILE A 48 -2.578 -6.241 3.439 1.00 0.00 C ATOM 499 CD1 ILE A 48 -1.040 -7.737 6.076 1.00 0.00 C ATOM 0 H ILE A 48 1.240 -5.203 4.845 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.600 -4.921 2.577 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.749 -5.491 5.263 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.868 -7.988 3.960 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.421 -7.042 4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.221 -6.973 3.927 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.142 -5.327 3.256 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.224 -6.644 2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.487 -8.652 6.290 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.801 -6.985 6.828 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.110 -7.946 6.098 1.00 0.00 H new ATOM 511 N ILE A 49 -1.309 -2.634 3.375 1.00 0.00 N ATOM 512 CA ILE A 49 -1.742 -1.319 3.833 1.00 0.00 C ATOM 513 C ILE A 49 -2.935 -1.481 4.766 1.00 0.00 C ATOM 514 O ILE A 49 -4.068 -1.165 4.409 1.00 0.00 O ATOM 515 CB ILE A 49 -2.135 -0.405 2.655 1.00 0.00 C ATOM 516 CG1 ILE A 49 -0.952 -0.227 1.703 1.00 0.00 C ATOM 517 CG2 ILE A 49 -2.620 0.948 3.160 1.00 0.00 C ATOM 518 CD1 ILE A 49 -1.363 0.194 0.310 1.00 0.00 C ATOM 0 H ILE A 49 -1.397 -2.785 2.370 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.908 -0.852 4.357 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.952 -0.879 2.111 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.272 0.519 2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.398 -1.164 1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.892 1.577 2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.490 0.807 3.801 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.825 1.430 3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.476 0.302 -0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.019 -0.563 -0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.891 1.146 0.359 1.00 0.00 H new ATOM 530 N ALA A 50 -2.670 -1.998 5.959 1.00 0.00 N ATOM 531 CA ALA A 50 -3.717 -2.226 6.939 1.00 0.00 C ATOM 532 C ALA A 50 -4.504 -0.946 7.199 1.00 0.00 C ATOM 533 O ALA A 50 -5.688 -0.986 7.530 1.00 0.00 O ATOM 534 CB ALA A 50 -3.121 -2.761 8.231 1.00 0.00 C ATOM 0 H ALA A 50 -1.736 -2.267 6.269 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.406 -2.970 6.540 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.917 -2.928 8.957 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.608 -3.702 8.033 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.410 -2.038 8.631 1.00 0.00 H new ATOM 540 N ASN A 51 -3.832 0.190 7.038 1.00 0.00 N ATOM 541 CA ASN A 51 -4.462 1.487 7.248 1.00 0.00 C ATOM 542 C ASN A 51 -3.919 2.522 6.277 1.00 0.00 C ATOM 543 O ASN A 51 -2.978 2.261 5.529 1.00 0.00 O ATOM 544 CB ASN A 51 -4.252 1.966 8.685 1.00 0.00 C ATOM 545 CG ASN A 51 -4.926 1.065 9.698 1.00 0.00 C ATOM 546 OD1 ASN A 51 -6.177 0.724 9.433 1.00 0.00 O flip ATOM 547 ND2 ASN A 51 -4.328 0.680 10.703 1.00 0.00 N flip ATOM 0 H ASN A 51 -2.851 0.237 6.763 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.530 1.367 7.068 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.184 2.012 8.897 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.641 2.979 8.788 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.363 0.969 10.865 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.797 0.072 11.374 1.00 0.00 H new ATOM 554 N MET A 52 -4.530 3.698 6.292 1.00 0.00 N ATOM 555 CA MET A 52 -4.125 4.781 5.410 1.00 0.00 C ATOM 556 C MET A 52 -4.852 6.073 5.769 1.00 0.00 C ATOM 557 O MET A 52 -6.076 6.091 5.903 1.00 0.00 O ATOM 558 CB MET A 52 -4.406 4.401 3.965 1.00 0.00 C ATOM 559 CG MET A 52 -3.986 5.467 2.966 1.00 0.00 C ATOM 560 SD MET A 52 -5.308 5.926 1.833 1.00 0.00 S ATOM 561 CE MET A 52 -6.129 4.351 1.626 1.00 0.00 C ATOM 0 H MET A 52 -5.311 3.926 6.908 1.00 0.00 H new ATOM 0 HA MET A 52 -3.055 4.949 5.534 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.885 3.472 3.734 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.472 4.206 3.850 1.00 0.00 H new ATOM 0 HG2 MET A 52 -3.654 6.353 3.506 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.133 5.104 2.393 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.767 4.386 0.743 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.383 3.565 1.504 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.738 4.140 2.505 1.00 0.00 H new ATOM 571 N MET A 53 -4.092 7.152 5.929 1.00 0.00 N ATOM 572 CA MET A 53 -4.663 8.449 6.279 1.00 0.00 C ATOM 573 C MET A 53 -5.777 8.842 5.312 1.00 0.00 C ATOM 574 O MET A 53 -5.595 8.814 4.095 1.00 0.00 O ATOM 575 CB MET A 53 -3.573 9.524 6.286 1.00 0.00 C ATOM 576 CG MET A 53 -3.649 10.459 7.483 1.00 0.00 C ATOM 577 SD MET A 53 -2.025 10.892 8.131 1.00 0.00 S ATOM 578 CE MET A 53 -1.418 9.283 8.628 1.00 0.00 C ATOM 0 H MET A 53 -3.078 7.154 5.822 1.00 0.00 H new ATOM 0 HA MET A 53 -5.092 8.367 7.278 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.597 9.040 6.275 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.648 10.112 5.371 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.175 11.369 7.195 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.236 9.987 8.271 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.554 9.406 9.281 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.203 8.747 9.162 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.127 8.715 7.744 1.00 0.00 H new ATOM 588 N HIS A 54 -6.930 9.208 5.863 1.00 0.00 N ATOM 589 CA HIS A 54 -8.074 9.607 5.052 1.00 0.00 C ATOM 590 C HIS A 54 -7.920 11.046 4.569 1.00 0.00 C ATOM 591 O HIS A 54 -8.199 11.992 5.307 1.00 0.00 O ATOM 592 CB HIS A 54 -9.369 9.463 5.852 1.00 0.00 C ATOM 593 CG HIS A 54 -9.906 8.065 5.874 1.00 0.00 C ATOM 594 ND1 HIS A 54 -9.106 6.956 6.045 1.00 0.00 N ATOM 595 CD2 HIS A 54 -11.171 7.599 5.745 1.00 0.00 C ATOM 596 CE1 HIS A 54 -9.855 5.867 6.020 1.00 0.00 C ATOM 597 NE2 HIS A 54 -11.111 6.231 5.840 1.00 0.00 N ATOM 0 H HIS A 54 -7.097 9.236 6.869 1.00 0.00 H new ATOM 0 HA HIS A 54 -8.118 8.951 4.182 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.192 9.792 6.876 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.123 10.127 5.430 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -8.094 6.973 6.171 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -12.061 8.193 5.595 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -9.500 4.853 6.128 1.00 0.00 H new ATOM 606 N GLY A 55 -7.473 11.203 3.328 1.00 0.00 N ATOM 607 CA GLY A 55 -7.288 12.528 2.771 1.00 0.00 C ATOM 608 C GLY A 55 -5.833 12.957 2.763 1.00 0.00 C ATOM 609 O GLY A 55 -5.530 14.148 2.702 1.00 0.00 O ATOM 0 H GLY A 55 -7.236 10.436 2.699 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.675 12.547 1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.872 13.246 3.347 1.00 0.00 H new ATOM 613 N GLY A 56 -4.929 11.982 2.827 1.00 0.00 N ATOM 614 CA GLY A 56 -3.511 12.284 2.826 1.00 0.00 C ATOM 615 C GLY A 56 -2.846 11.941 1.506 1.00 0.00 C ATOM 616 O GLY A 56 -3.523 11.811 0.488 1.00 0.00 O ATOM 0 H GLY A 56 -5.155 10.989 2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.368 13.344 3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.024 11.731 3.629 1.00 0.00 H new ATOM 620 N PRO A 57 -1.511 11.792 1.492 1.00 0.00 N ATOM 621 CA PRO A 57 -0.761 11.464 0.272 1.00 0.00 C ATOM 622 C PRO A 57 -1.241 10.173 -0.380 1.00 0.00 C ATOM 623 O PRO A 57 -1.584 10.155 -1.562 1.00 0.00 O ATOM 624 CB PRO A 57 0.680 11.310 0.765 1.00 0.00 C ATOM 625 CG PRO A 57 0.732 12.081 2.038 1.00 0.00 C ATOM 626 CD PRO A 57 -0.626 11.937 2.660 1.00 0.00 C ATOM 0 HA PRO A 57 -0.883 12.230 -0.494 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.933 10.262 0.927 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.391 11.701 0.037 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.508 11.693 2.698 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.967 13.129 1.851 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.679 11.069 3.317 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.889 12.808 3.260 1.00 0.00 H new ATOM 634 N ALA A 58 -1.264 9.090 0.392 1.00 0.00 N ATOM 635 CA ALA A 58 -1.701 7.803 -0.120 1.00 0.00 C ATOM 636 C ALA A 58 -3.121 7.890 -0.658 1.00 0.00 C ATOM 637 O ALA A 58 -3.400 7.462 -1.778 1.00 0.00 O ATOM 638 CB ALA A 58 -1.614 6.744 0.965 1.00 0.00 C ATOM 0 H ALA A 58 -0.985 9.082 1.373 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.040 7.520 -0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.945 5.785 0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.583 6.658 1.307 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.252 7.028 1.802 1.00 0.00 H new ATOM 644 N GLU A 59 -4.015 8.462 0.141 1.00 0.00 N ATOM 645 CA GLU A 59 -5.400 8.620 -0.262 1.00 0.00 C ATOM 646 C GLU A 59 -5.503 9.614 -1.414 1.00 0.00 C ATOM 647 O GLU A 59 -6.409 9.537 -2.243 1.00 0.00 O ATOM 648 CB GLU A 59 -6.243 9.100 0.918 1.00 0.00 C ATOM 649 CG GLU A 59 -7.726 9.160 0.612 1.00 0.00 C ATOM 650 CD GLU A 59 -8.578 8.582 1.724 1.00 0.00 C ATOM 651 OE1 GLU A 59 -8.126 7.619 2.379 1.00 0.00 O ATOM 652 OE2 GLU A 59 -9.698 9.092 1.942 1.00 0.00 O ATOM 0 H GLU A 59 -3.801 8.823 1.071 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.778 7.653 -0.595 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.081 8.434 1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.901 10.090 1.220 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.015 10.197 0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.924 8.616 -0.312 1.00 0.00 H new ATOM 659 N LYS A 60 -4.560 10.545 -1.445 1.00 0.00 N ATOM 660 CA LYS A 60 -4.515 11.570 -2.476 1.00 0.00 C ATOM 661 C LYS A 60 -4.323 10.949 -3.855 1.00 0.00 C ATOM 662 O LYS A 60 -5.043 11.273 -4.799 1.00 0.00 O ATOM 663 CB LYS A 60 -3.387 12.564 -2.188 1.00 0.00 C ATOM 664 CG LYS A 60 -3.860 13.838 -1.506 1.00 0.00 C ATOM 665 CD LYS A 60 -3.660 15.057 -2.394 1.00 0.00 C ATOM 666 CE LYS A 60 -2.185 15.361 -2.600 1.00 0.00 C ATOM 667 NZ LYS A 60 -1.723 14.987 -3.965 1.00 0.00 N ATOM 0 H LYS A 60 -3.808 10.611 -0.759 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.468 12.100 -2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.640 12.081 -1.559 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.895 12.824 -3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.915 13.744 -1.249 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.316 13.975 -0.572 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.136 14.887 -3.360 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.151 15.920 -1.945 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.008 16.424 -2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.597 14.821 -1.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.868 14.399 -3.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.471 14.452 -4.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.506 15.848 -4.506 1.00 0.00 H new ATOM 681 N SER A 61 -3.346 10.052 -3.962 1.00 0.00 N ATOM 682 CA SER A 61 -3.056 9.379 -5.222 1.00 0.00 C ATOM 683 C SER A 61 -4.331 8.829 -5.855 1.00 0.00 C ATOM 684 O SER A 61 -4.519 8.910 -7.069 1.00 0.00 O ATOM 685 CB SER A 61 -2.054 8.248 -4.999 1.00 0.00 C ATOM 686 OG SER A 61 -0.730 8.747 -4.948 1.00 0.00 O ATOM 0 H SER A 61 -2.741 9.775 -3.189 1.00 0.00 H new ATOM 0 HA SER A 61 -2.623 10.111 -5.904 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.287 7.729 -4.069 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.140 7.517 -5.803 1.00 0.00 H new ATOM 0 HG SER A 61 -0.439 8.994 -5.850 1.00 0.00 H new ATOM 692 N GLY A 62 -5.204 8.275 -5.022 1.00 0.00 N ATOM 693 CA GLY A 62 -6.452 7.724 -5.515 1.00 0.00 C ATOM 694 C GLY A 62 -6.295 6.321 -6.068 1.00 0.00 C ATOM 695 O GLY A 62 -7.052 5.903 -6.943 1.00 0.00 O ATOM 0 H GLY A 62 -5.070 8.198 -4.014 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.183 7.712 -4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.849 8.375 -6.294 1.00 0.00 H new ATOM 699 N LYS A 63 -5.309 5.592 -5.554 1.00 0.00 N ATOM 700 CA LYS A 63 -5.059 4.225 -6.003 1.00 0.00 C ATOM 701 C LYS A 63 -4.788 3.302 -4.822 1.00 0.00 C ATOM 702 O LYS A 63 -5.359 2.213 -4.732 1.00 0.00 O ATOM 703 CB LYS A 63 -3.882 4.177 -6.983 1.00 0.00 C ATOM 704 CG LYS A 63 -2.898 5.323 -6.823 1.00 0.00 C ATOM 705 CD LYS A 63 -3.101 6.389 -7.889 1.00 0.00 C ATOM 706 CE LYS A 63 -2.911 5.825 -9.289 1.00 0.00 C ATOM 707 NZ LYS A 63 -1.706 6.388 -9.959 1.00 0.00 N ATOM 0 H LYS A 63 -4.672 5.923 -4.829 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.956 3.879 -6.516 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.351 3.234 -6.851 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.270 4.184 -8.002 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.015 5.769 -5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.879 4.939 -6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.103 6.809 -7.798 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.397 7.205 -7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.821 4.740 -9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.794 6.041 -9.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.614 5.977 -10.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.802 7.421 -10.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.859 6.160 -9.400 1.00 0.00 H new ATOM 721 N LEU A 64 -3.915 3.735 -3.919 1.00 0.00 N ATOM 722 CA LEU A 64 -3.575 2.935 -2.750 1.00 0.00 C ATOM 723 C LEU A 64 -4.701 2.958 -1.726 1.00 0.00 C ATOM 724 O LEU A 64 -4.924 3.964 -1.052 1.00 0.00 O ATOM 725 CB LEU A 64 -2.277 3.433 -2.108 1.00 0.00 C ATOM 726 CG LEU A 64 -0.999 2.753 -2.610 1.00 0.00 C ATOM 727 CD1 LEU A 64 0.183 3.125 -1.730 1.00 0.00 C ATOM 728 CD2 LEU A 64 -1.172 1.241 -2.656 1.00 0.00 C ATOM 0 H LEU A 64 -3.432 4.632 -3.974 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.430 1.908 -3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.192 4.505 -2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.346 3.291 -1.030 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.803 3.105 -3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.082 2.633 -2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.326 4.205 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.010 2.804 -0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.252 0.780 -3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.397 0.870 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.991 0.989 -3.329 1.00 0.00 H new ATOM 740 N ASN A 65 -5.402 1.839 -1.614 1.00 0.00 N ATOM 741 CA ASN A 65 -6.505 1.716 -0.669 1.00 0.00 C ATOM 742 C ASN A 65 -6.220 0.623 0.355 1.00 0.00 C ATOM 743 O ASN A 65 -5.708 -0.441 0.008 1.00 0.00 O ATOM 744 CB ASN A 65 -7.814 1.416 -1.404 1.00 0.00 C ATOM 745 CG ASN A 65 -7.629 0.452 -2.562 1.00 0.00 C ATOM 746 OD1 ASN A 65 -7.839 0.808 -3.721 1.00 0.00 O ATOM 747 ND2 ASN A 65 -7.234 -0.778 -2.252 1.00 0.00 N ATOM 0 H ASN A 65 -5.227 1.000 -2.167 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.607 2.666 -0.145 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.533 0.998 -0.700 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.238 2.348 -1.777 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.093 -1.469 -2.989 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.071 -1.031 -1.277 1.00 0.00 H new ATOM 754 N ILE A 66 -6.558 0.894 1.618 1.00 0.00 N ATOM 755 CA ILE A 66 -6.346 -0.058 2.704 1.00 0.00 C ATOM 756 C ILE A 66 -6.592 -1.499 2.245 1.00 0.00 C ATOM 757 O ILE A 66 -7.710 -1.867 1.887 1.00 0.00 O ATOM 758 CB ILE A 66 -7.257 0.275 3.901 1.00 0.00 C ATOM 759 CG1 ILE A 66 -6.697 1.485 4.643 1.00 0.00 C ATOM 760 CG2 ILE A 66 -7.383 -0.915 4.841 1.00 0.00 C ATOM 761 CD1 ILE A 66 -7.463 1.830 5.891 1.00 0.00 C ATOM 0 H ILE A 66 -6.983 1.773 1.912 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.304 0.026 3.014 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.254 0.509 3.528 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.657 1.291 4.906 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.701 2.346 3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.031 -0.652 5.677 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.811 -1.761 4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.397 -1.186 5.218 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.010 2.699 6.367 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -8.497 2.056 5.632 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.437 0.985 6.579 1.00 0.00 H new ATOM 773 N GLY A 67 -5.531 -2.300 2.252 1.00 0.00 N ATOM 774 CA GLY A 67 -5.636 -3.684 1.827 1.00 0.00 C ATOM 775 C GLY A 67 -4.729 -3.995 0.647 1.00 0.00 C ATOM 776 O GLY A 67 -4.606 -5.148 0.235 1.00 0.00 O ATOM 0 H GLY A 67 -4.597 -2.014 2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.381 -4.338 2.661 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.669 -3.901 1.556 1.00 0.00 H new ATOM 780 N ASP A 68 -4.090 -2.960 0.109 1.00 0.00 N ATOM 781 CA ASP A 68 -3.185 -3.111 -1.023 1.00 0.00 C ATOM 782 C ASP A 68 -1.890 -3.786 -0.589 1.00 0.00 C ATOM 783 O ASP A 68 -1.272 -3.384 0.396 1.00 0.00 O ATOM 784 CB ASP A 68 -2.901 -1.748 -1.641 1.00 0.00 C ATOM 785 CG ASP A 68 -3.828 -1.441 -2.801 1.00 0.00 C ATOM 786 OD1 ASP A 68 -4.318 -2.396 -3.439 1.00 0.00 O ATOM 787 OD2 ASP A 68 -4.065 -0.244 -3.070 1.00 0.00 O ATOM 0 H ASP A 68 -4.185 -2.001 0.443 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.659 -3.745 -1.772 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.007 -0.976 -0.879 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.867 -1.715 -1.986 1.00 0.00 H new ATOM 792 N GLN A 69 -1.482 -4.820 -1.325 1.00 0.00 N ATOM 793 CA GLN A 69 -0.262 -5.542 -0.993 1.00 0.00 C ATOM 794 C GLN A 69 0.943 -4.895 -1.666 1.00 0.00 C ATOM 795 O GLN A 69 1.419 -5.360 -2.699 1.00 0.00 O ATOM 796 CB GLN A 69 -0.377 -7.012 -1.409 1.00 0.00 C ATOM 797 CG GLN A 69 -0.234 -7.983 -0.248 1.00 0.00 C ATOM 798 CD GLN A 69 1.187 -8.485 -0.082 1.00 0.00 C ATOM 799 OE1 GLN A 69 1.810 -8.284 0.961 1.00 0.00 O ATOM 800 NE2 GLN A 69 1.708 -9.142 -1.111 1.00 0.00 N ATOM 0 H GLN A 69 -1.975 -5.171 -2.146 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.121 -5.497 0.087 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.343 -7.171 -1.889 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.389 -7.232 -2.153 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.553 -7.493 0.672 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.900 -8.832 -0.404 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.156 -9.286 -1.956 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.660 -9.503 -1.056 1.00 0.00 H new ATOM 809 N ILE A 70 1.432 -3.816 -1.071 1.00 0.00 N ATOM 810 CA ILE A 70 2.581 -3.097 -1.611 1.00 0.00 C ATOM 811 C ILE A 70 3.774 -4.031 -1.785 1.00 0.00 C ATOM 812 O ILE A 70 4.001 -4.920 -0.964 1.00 0.00 O ATOM 813 CB ILE A 70 2.979 -1.913 -0.706 1.00 0.00 C ATOM 814 CG1 ILE A 70 1.723 -1.161 -0.233 1.00 0.00 C ATOM 815 CG2 ILE A 70 3.934 -0.983 -1.442 1.00 0.00 C ATOM 816 CD1 ILE A 70 2.001 0.230 0.301 1.00 0.00 C ATOM 0 H ILE A 70 1.051 -3.417 -0.213 1.00 0.00 H new ATOM 0 HA ILE A 70 2.289 -2.706 -2.586 1.00 0.00 H new ATOM 0 HB ILE A 70 3.495 -2.296 0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.022 -1.086 -1.065 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.233 -1.746 0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.206 -0.152 -0.791 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.832 -1.533 -1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.448 -0.598 -2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.065 0.693 0.614 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.676 0.164 1.154 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.462 0.834 -0.480 1.00 0.00 H new ATOM 828 N MET A 71 4.527 -3.842 -2.867 1.00 0.00 N ATOM 829 CA MET A 71 5.683 -4.688 -3.143 1.00 0.00 C ATOM 830 C MET A 71 6.987 -3.898 -3.114 1.00 0.00 C ATOM 831 O MET A 71 8.026 -4.426 -2.719 1.00 0.00 O ATOM 832 CB MET A 71 5.528 -5.372 -4.502 1.00 0.00 C ATOM 833 CG MET A 71 6.490 -6.531 -4.707 1.00 0.00 C ATOM 834 SD MET A 71 5.775 -7.871 -5.679 1.00 0.00 S ATOM 835 CE MET A 71 4.266 -8.187 -4.768 1.00 0.00 C ATOM 0 H MET A 71 4.358 -3.115 -3.562 1.00 0.00 H new ATOM 0 HA MET A 71 5.728 -5.441 -2.356 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.505 -5.736 -4.603 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.684 -4.636 -5.291 1.00 0.00 H new ATOM 0 HG2 MET A 71 7.389 -6.167 -5.205 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.798 -6.918 -3.735 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.180 -9.254 -4.565 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.288 -7.639 -3.826 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.410 -7.860 -5.358 1.00 0.00 H new ATOM 845 N SER A 72 6.939 -2.639 -3.540 1.00 0.00 N ATOM 846 CA SER A 72 8.138 -1.807 -3.559 1.00 0.00 C ATOM 847 C SER A 72 7.789 -0.328 -3.450 1.00 0.00 C ATOM 848 O SER A 72 6.712 0.095 -3.860 1.00 0.00 O ATOM 849 CB SER A 72 8.934 -2.058 -4.841 1.00 0.00 C ATOM 850 OG SER A 72 8.217 -1.621 -5.982 1.00 0.00 O ATOM 0 H SER A 72 6.093 -2.177 -3.873 1.00 0.00 H new ATOM 0 HA SER A 72 8.746 -2.078 -2.696 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.890 -1.537 -4.787 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.156 -3.121 -4.933 1.00 0.00 H new ATOM 0 HG SER A 72 8.749 -1.791 -6.787 1.00 0.00 H new ATOM 856 N ILE A 73 8.713 0.452 -2.892 1.00 0.00 N ATOM 857 CA ILE A 73 8.506 1.887 -2.728 1.00 0.00 C ATOM 858 C ILE A 73 9.642 2.689 -3.356 1.00 0.00 C ATOM 859 O ILE A 73 10.810 2.500 -3.017 1.00 0.00 O ATOM 860 CB ILE A 73 8.374 2.266 -1.246 1.00 0.00 C ATOM 861 CG1 ILE A 73 7.238 1.470 -0.608 1.00 0.00 C ATOM 862 CG2 ILE A 73 8.129 3.761 -1.096 1.00 0.00 C ATOM 863 CD1 ILE A 73 7.539 1.024 0.800 1.00 0.00 C ATOM 0 H ILE A 73 9.611 0.113 -2.547 1.00 0.00 H new ATOM 0 HA ILE A 73 7.576 2.132 -3.241 1.00 0.00 H new ATOM 0 HB ILE A 73 9.306 2.023 -0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.335 2.080 -0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.028 0.594 -1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.038 4.011 -0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.964 4.312 -1.528 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.209 4.033 -1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.691 0.464 1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.424 0.388 0.799 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.720 1.897 1.427 1.00 0.00 H new ATOM 875 N ASN A 74 9.288 3.590 -4.270 1.00 0.00 N ATOM 876 CA ASN A 74 10.269 4.432 -4.952 1.00 0.00 C ATOM 877 C ASN A 74 11.464 3.611 -5.432 1.00 0.00 C ATOM 878 O ASN A 74 12.581 4.121 -5.531 1.00 0.00 O ATOM 879 CB ASN A 74 10.741 5.551 -4.019 1.00 0.00 C ATOM 880 CG ASN A 74 10.120 6.890 -4.365 1.00 0.00 C ATOM 881 OD1 ASN A 74 9.951 7.225 -5.538 1.00 0.00 O ATOM 882 ND2 ASN A 74 9.777 7.665 -3.342 1.00 0.00 N ATOM 0 H ASN A 74 8.323 3.756 -4.557 1.00 0.00 H new ATOM 0 HA ASN A 74 9.788 4.871 -5.826 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.491 5.292 -2.990 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.827 5.632 -4.073 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.355 8.578 -3.513 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.935 7.347 -2.386 1.00 0.00 H new ATOM 889 N GLY A 75 11.223 2.339 -5.728 1.00 0.00 N ATOM 890 CA GLY A 75 12.286 1.470 -6.192 1.00 0.00 C ATOM 891 C GLY A 75 12.871 0.616 -5.082 1.00 0.00 C ATOM 892 O GLY A 75 13.992 0.121 -5.198 1.00 0.00 O ATOM 0 H GLY A 75 10.308 1.894 -5.654 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.902 0.822 -6.980 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.077 2.075 -6.635 1.00 0.00 H new ATOM 896 N THR A 76 12.111 0.439 -4.004 1.00 0.00 N ATOM 897 CA THR A 76 12.564 -0.365 -2.875 1.00 0.00 C ATOM 898 C THR A 76 11.581 -1.495 -2.589 1.00 0.00 C ATOM 899 O THR A 76 10.589 -1.304 -1.889 1.00 0.00 O ATOM 900 CB THR A 76 12.727 0.509 -1.634 1.00 0.00 C ATOM 901 OG1 THR A 76 13.634 1.568 -1.882 1.00 0.00 O ATOM 902 CG2 THR A 76 13.228 -0.252 -0.424 1.00 0.00 C ATOM 0 H THR A 76 11.181 0.841 -3.890 1.00 0.00 H new ATOM 0 HA THR A 76 13.529 -0.801 -3.132 1.00 0.00 H new ATOM 0 HB THR A 76 11.728 0.887 -1.415 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.724 2.118 -1.076 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.321 0.429 0.422 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.523 -1.045 -0.175 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.202 -0.689 -0.646 1.00 0.00 H new ATOM 910 N SER A 77 11.866 -2.672 -3.136 1.00 0.00 N ATOM 911 CA SER A 77 11.008 -3.836 -2.943 1.00 0.00 C ATOM 912 C SER A 77 11.058 -4.323 -1.500 1.00 0.00 C ATOM 913 O SER A 77 12.135 -4.502 -0.932 1.00 0.00 O ATOM 914 CB SER A 77 11.424 -4.963 -3.889 1.00 0.00 C ATOM 915 OG SER A 77 12.835 -5.052 -3.989 1.00 0.00 O ATOM 0 H SER A 77 12.686 -2.845 -3.717 1.00 0.00 H new ATOM 0 HA SER A 77 9.984 -3.539 -3.168 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.022 -5.910 -3.530 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.997 -4.789 -4.877 1.00 0.00 H new ATOM 0 HG SER A 77 13.074 -5.781 -4.598 1.00 0.00 H new ATOM 921 N LEU A 78 9.885 -4.540 -0.910 1.00 0.00 N ATOM 922 CA LEU A 78 9.800 -5.012 0.467 1.00 0.00 C ATOM 923 C LEU A 78 9.604 -6.521 0.523 1.00 0.00 C ATOM 924 O LEU A 78 9.223 -7.068 1.557 1.00 0.00 O ATOM 925 CB LEU A 78 8.651 -4.324 1.198 1.00 0.00 C ATOM 926 CG LEU A 78 8.588 -2.809 1.023 1.00 0.00 C ATOM 927 CD1 LEU A 78 7.353 -2.416 0.229 1.00 0.00 C ATOM 928 CD2 LEU A 78 8.603 -2.119 2.377 1.00 0.00 C ATOM 0 H LEU A 78 8.983 -4.397 -1.364 1.00 0.00 H new ATOM 0 HA LEU A 78 10.742 -4.765 0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.711 -4.754 0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.731 -4.548 2.262 1.00 0.00 H new ATOM 0 HG LEU A 78 9.467 -2.486 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.324 -1.332 0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.388 -2.885 -0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.460 -2.749 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.558 -1.039 2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.742 -2.445 2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.520 -2.377 2.907 1.00 0.00 H new ATOM 940 N VAL A 79 9.863 -7.190 -0.592 1.00 0.00 N ATOM 941 CA VAL A 79 9.710 -8.635 -0.663 1.00 0.00 C ATOM 942 C VAL A 79 10.818 -9.344 0.104 1.00 0.00 C ATOM 943 O VAL A 79 11.969 -9.364 -0.329 1.00 0.00 O ATOM 944 CB VAL A 79 9.734 -9.126 -2.120 1.00 0.00 C ATOM 945 CG1 VAL A 79 9.217 -10.554 -2.209 1.00 0.00 C ATOM 946 CG2 VAL A 79 8.930 -8.198 -3.021 1.00 0.00 C ATOM 0 H VAL A 79 10.180 -6.755 -1.459 1.00 0.00 H new ATOM 0 HA VAL A 79 8.745 -8.872 -0.214 1.00 0.00 H new ATOM 0 HB VAL A 79 10.767 -9.114 -2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 79 9.241 -10.886 -3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.847 -11.207 -1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.193 -10.594 -1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 79 8.963 -8.567 -4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 79 7.895 -8.166 -2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 79 9.356 -7.195 -2.983 1.00 0.00 H new ATOM 956 N GLY A 80 10.464 -9.937 1.238 1.00 0.00 N ATOM 957 CA GLY A 80 11.445 -10.649 2.032 1.00 0.00 C ATOM 958 C GLY A 80 11.824 -9.921 3.307 1.00 0.00 C ATOM 959 O GLY A 80 12.225 -10.553 4.284 1.00 0.00 O ATOM 0 H GLY A 80 9.518 -9.937 1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.052 -11.633 2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.341 -10.809 1.433 1.00 0.00 H new ATOM 963 N LEU A 81 11.704 -8.596 3.309 1.00 0.00 N ATOM 964 CA LEU A 81 12.052 -7.821 4.499 1.00 0.00 C ATOM 965 C LEU A 81 10.882 -7.767 5.479 1.00 0.00 C ATOM 966 O LEU A 81 9.721 -7.714 5.071 1.00 0.00 O ATOM 967 CB LEU A 81 12.506 -6.399 4.142 1.00 0.00 C ATOM 968 CG LEU A 81 11.849 -5.767 2.911 1.00 0.00 C ATOM 969 CD1 LEU A 81 11.833 -4.250 3.048 1.00 0.00 C ATOM 970 CD2 LEU A 81 12.585 -6.185 1.644 1.00 0.00 C ATOM 0 H LEU A 81 11.375 -8.044 2.517 1.00 0.00 H new ATOM 0 HA LEU A 81 12.888 -8.331 4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.317 -5.754 5.000 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.585 -6.413 3.985 1.00 0.00 H new ATOM 0 HG LEU A 81 10.820 -6.120 2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.364 -3.810 2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.269 -3.971 3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.855 -3.882 3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 81 12.107 -5.728 0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.623 -5.856 1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.553 -7.270 1.546 1.00 0.00 H new ATOM 982 N PRO A 82 11.175 -7.790 6.792 1.00 0.00 N ATOM 983 CA PRO A 82 10.145 -7.751 7.837 1.00 0.00 C ATOM 984 C PRO A 82 9.396 -6.425 7.873 1.00 0.00 C ATOM 985 O PRO A 82 9.697 -5.507 7.111 1.00 0.00 O ATOM 986 CB PRO A 82 10.937 -7.954 9.132 1.00 0.00 C ATOM 987 CG PRO A 82 12.320 -7.509 8.808 1.00 0.00 C ATOM 988 CD PRO A 82 12.534 -7.861 7.362 1.00 0.00 C ATOM 0 HA PRO A 82 9.375 -8.504 7.670 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.515 -7.369 9.949 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.921 -8.998 9.446 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.434 -6.437 8.971 1.00 0.00 H new ATOM 0 HG3 PRO A 82 13.051 -8.008 9.444 1.00 0.00 H new ATOM 0 HD2 PRO A 82 13.212 -7.161 6.874 1.00 0.00 H new ATOM 0 HD3 PRO A 82 12.966 -8.855 7.249 1.00 0.00 H new ATOM 996 N LEU A 83 8.417 -6.335 8.767 1.00 0.00 N ATOM 997 CA LEU A 83 7.617 -5.125 8.912 1.00 0.00 C ATOM 998 C LEU A 83 8.477 -3.956 9.381 1.00 0.00 C ATOM 999 O LEU A 83 8.241 -2.809 9.003 1.00 0.00 O ATOM 1000 CB LEU A 83 6.474 -5.366 9.901 1.00 0.00 C ATOM 1001 CG LEU A 83 5.693 -4.115 10.311 1.00 0.00 C ATOM 1002 CD1 LEU A 83 4.870 -3.592 9.145 1.00 0.00 C ATOM 1003 CD2 LEU A 83 4.803 -4.412 11.508 1.00 0.00 C ATOM 0 H LEU A 83 8.158 -7.089 9.404 1.00 0.00 H new ATOM 0 HA LEU A 83 7.199 -4.873 7.937 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.779 -6.081 9.461 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.883 -5.830 10.798 1.00 0.00 H new ATOM 0 HG LEU A 83 6.406 -3.342 10.598 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.322 -2.703 9.456 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.532 -3.339 8.317 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.165 -4.359 8.824 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.255 -3.512 11.786 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.097 -5.201 11.250 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.418 -4.736 12.347 1.00 0.00 H new ATOM 1015 N SER A 84 9.473 -4.253 10.212 1.00 0.00 N ATOM 1016 CA SER A 84 10.364 -3.223 10.735 1.00 0.00 C ATOM 1017 C SER A 84 10.978 -2.405 9.603 1.00 0.00 C ATOM 1018 O SER A 84 10.969 -1.174 9.637 1.00 0.00 O ATOM 1019 CB SER A 84 11.471 -3.858 11.577 1.00 0.00 C ATOM 1020 OG SER A 84 11.896 -2.982 12.608 1.00 0.00 O ATOM 0 H SER A 84 9.682 -5.197 10.537 1.00 0.00 H new ATOM 0 HA SER A 84 9.775 -2.555 11.363 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.111 -4.790 12.013 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.318 -4.111 10.939 1.00 0.00 H new ATOM 0 HG SER A 84 12.603 -3.413 13.133 1.00 0.00 H new ATOM 1026 N THR A 85 11.507 -3.097 8.599 1.00 0.00 N ATOM 1027 CA THR A 85 12.123 -2.434 7.457 1.00 0.00 C ATOM 1028 C THR A 85 11.087 -1.656 6.653 1.00 0.00 C ATOM 1029 O THR A 85 11.321 -0.511 6.270 1.00 0.00 O ATOM 1030 CB THR A 85 12.819 -3.454 6.562 1.00 0.00 C ATOM 1031 OG1 THR A 85 13.644 -4.315 7.327 1.00 0.00 O ATOM 1032 CG2 THR A 85 13.682 -2.821 5.491 1.00 0.00 C ATOM 0 H THR A 85 11.521 -4.116 8.554 1.00 0.00 H new ATOM 0 HA THR A 85 12.864 -1.730 7.836 1.00 0.00 H new ATOM 0 HB THR A 85 12.015 -4.008 6.077 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.080 -4.962 6.734 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.148 -3.602 4.890 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.064 -2.191 4.851 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.456 -2.214 5.960 1.00 0.00 H new ATOM 1040 N CYS A 86 9.940 -2.282 6.404 1.00 0.00 N ATOM 1041 CA CYS A 86 8.869 -1.642 5.644 1.00 0.00 C ATOM 1042 C CYS A 86 8.455 -0.329 6.296 1.00 0.00 C ATOM 1043 O CYS A 86 8.468 0.721 5.655 1.00 0.00 O ATOM 1044 CB CYS A 86 7.669 -2.581 5.524 1.00 0.00 C ATOM 1045 SG CYS A 86 8.098 -4.263 5.006 1.00 0.00 S ATOM 0 H CYS A 86 9.728 -3.230 6.716 1.00 0.00 H new ATOM 0 HA CYS A 86 9.242 -1.423 4.643 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.159 -2.627 6.486 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.962 -2.161 4.809 1.00 0.00 H new ATOM 0 HG CYS A 86 8.703 -4.876 5.980 1.00 0.00 H new ATOM 1051 N GLN A 87 8.105 -0.383 7.577 1.00 0.00 N ATOM 1052 CA GLN A 87 7.715 0.806 8.307 1.00 0.00 C ATOM 1053 C GLN A 87 8.741 1.915 8.114 1.00 0.00 C ATOM 1054 O GLN A 87 8.407 3.033 7.722 1.00 0.00 O ATOM 1055 CB GLN A 87 7.588 0.467 9.787 1.00 0.00 C ATOM 1056 CG GLN A 87 6.202 0.700 10.332 1.00 0.00 C ATOM 1057 CD GLN A 87 5.307 -0.518 10.216 1.00 0.00 C ATOM 1058 OE1 GLN A 87 5.376 -1.434 11.035 1.00 0.00 O ATOM 1059 NE2 GLN A 87 4.460 -0.531 9.194 1.00 0.00 N ATOM 0 H GLN A 87 8.085 -1.242 8.127 1.00 0.00 H new ATOM 0 HA GLN A 87 6.756 1.158 7.927 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.860 -0.577 9.939 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.300 1.068 10.353 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.274 0.993 11.380 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.743 1.533 9.799 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.438 0.251 8.540 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.831 -1.323 9.063 1.00 0.00 H new ATOM 1068 N SER A 88 9.992 1.583 8.395 1.00 0.00 N ATOM 1069 CA SER A 88 11.092 2.528 8.264 1.00 0.00 C ATOM 1070 C SER A 88 11.144 3.139 6.863 1.00 0.00 C ATOM 1071 O SER A 88 11.495 4.310 6.706 1.00 0.00 O ATOM 1072 CB SER A 88 12.421 1.840 8.578 1.00 0.00 C ATOM 1073 OG SER A 88 12.283 0.928 9.652 1.00 0.00 O ATOM 0 H SER A 88 10.273 0.657 8.718 1.00 0.00 H new ATOM 0 HA SER A 88 10.922 3.333 8.979 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.779 1.313 7.693 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.172 2.590 8.828 1.00 0.00 H new ATOM 0 HG SER A 88 12.183 0.019 9.299 1.00 0.00 H new ATOM 1079 N ILE A 89 10.788 2.354 5.848 1.00 0.00 N ATOM 1080 CA ILE A 89 10.792 2.838 4.480 1.00 0.00 C ATOM 1081 C ILE A 89 9.772 3.951 4.333 1.00 0.00 C ATOM 1082 O ILE A 89 10.062 5.005 3.774 1.00 0.00 O ATOM 1083 CB ILE A 89 10.481 1.699 3.480 1.00 0.00 C ATOM 1084 CG1 ILE A 89 11.658 0.718 3.428 1.00 0.00 C ATOM 1085 CG2 ILE A 89 10.178 2.257 2.095 1.00 0.00 C ATOM 1086 CD1 ILE A 89 11.623 -0.232 2.248 1.00 0.00 C ATOM 0 H ILE A 89 10.495 1.383 5.953 1.00 0.00 H new ATOM 0 HA ILE A 89 11.788 3.220 4.253 1.00 0.00 H new ATOM 0 HB ILE A 89 9.594 1.166 3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.588 1.285 3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.672 0.135 4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.963 1.436 1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.314 2.919 2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 89 11.040 2.816 1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.490 -0.891 2.286 1.00 0.00 H new ATOM 0 HD12 ILE A 89 10.711 -0.828 2.288 1.00 0.00 H new ATOM 0 HD13 ILE A 89 11.642 0.340 1.320 1.00 0.00 H new ATOM 1098 N ILE A 90 8.580 3.711 4.864 1.00 0.00 N ATOM 1099 CA ILE A 90 7.512 4.697 4.818 1.00 0.00 C ATOM 1100 C ILE A 90 7.926 5.958 5.559 1.00 0.00 C ATOM 1101 O ILE A 90 7.567 7.070 5.173 1.00 0.00 O ATOM 1102 CB ILE A 90 6.223 4.151 5.448 1.00 0.00 C ATOM 1103 CG1 ILE A 90 5.934 2.750 4.897 1.00 0.00 C ATOM 1104 CG2 ILE A 90 5.072 5.111 5.190 1.00 0.00 C ATOM 1105 CD1 ILE A 90 4.519 2.258 5.140 1.00 0.00 C ATOM 0 H ILE A 90 8.330 2.840 5.332 1.00 0.00 H new ATOM 0 HA ILE A 90 7.324 4.927 3.769 1.00 0.00 H new ATOM 0 HB ILE A 90 6.344 4.067 6.528 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.127 2.748 3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.633 2.045 5.347 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.161 4.716 5.640 1.00 0.00 H new ATOM 0 HG22 ILE A 90 5.303 6.082 5.629 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.926 5.224 4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.403 1.260 4.717 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.325 2.223 6.212 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.811 2.937 4.665 1.00 0.00 H new ATOM 1117 N LYS A 91 8.691 5.767 6.627 1.00 0.00 N ATOM 1118 CA LYS A 91 9.170 6.876 7.438 1.00 0.00 C ATOM 1119 C LYS A 91 10.180 7.712 6.659 1.00 0.00 C ATOM 1120 O LYS A 91 10.135 8.942 6.684 1.00 0.00 O ATOM 1121 CB LYS A 91 9.810 6.349 8.723 1.00 0.00 C ATOM 1122 CG LYS A 91 8.990 5.266 9.410 1.00 0.00 C ATOM 1123 CD LYS A 91 8.436 5.735 10.744 1.00 0.00 C ATOM 1124 CE LYS A 91 9.538 6.227 11.670 1.00 0.00 C ATOM 1125 NZ LYS A 91 9.119 6.201 13.098 1.00 0.00 N ATOM 0 H LYS A 91 8.993 4.849 6.952 1.00 0.00 H new ATOM 0 HA LYS A 91 8.320 7.508 7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.799 5.953 8.491 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.953 7.179 9.415 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.167 4.967 8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.611 4.384 9.565 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.716 6.536 10.577 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.897 4.917 11.222 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.424 5.606 11.541 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.818 7.243 11.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.899 6.544 13.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.289 6.814 13.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.876 5.227 13.371 1.00 0.00 H new ATOM 1139 N GLY A 92 11.088 7.031 5.965 1.00 0.00 N ATOM 1140 CA GLY A 92 12.095 7.722 5.183 1.00 0.00 C ATOM 1141 C GLY A 92 11.493 8.573 4.080 1.00 0.00 C ATOM 1142 O GLY A 92 12.161 9.447 3.527 1.00 0.00 O ATOM 0 H GLY A 92 11.143 6.013 5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 92 12.690 8.355 5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.774 6.991 4.744 1.00 0.00 H new ATOM 1146 N LEU A 93 10.226 8.322 3.760 1.00 0.00 N ATOM 1147 CA LEU A 93 9.535 9.072 2.720 1.00 0.00 C ATOM 1148 C LEU A 93 8.818 10.283 3.304 1.00 0.00 C ATOM 1149 O LEU A 93 7.710 10.623 2.887 1.00 0.00 O ATOM 1150 CB LEU A 93 8.527 8.175 2.002 1.00 0.00 C ATOM 1151 CG LEU A 93 9.077 6.826 1.538 1.00 0.00 C ATOM 1152 CD1 LEU A 93 8.030 6.080 0.725 1.00 0.00 C ATOM 1153 CD2 LEU A 93 10.348 7.021 0.724 1.00 0.00 C ATOM 0 H LEU A 93 9.658 7.603 4.208 1.00 0.00 H new ATOM 0 HA LEU A 93 10.281 9.421 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.683 7.996 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.140 8.710 1.135 1.00 0.00 H new ATOM 0 HG LEU A 93 9.321 6.229 2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.436 5.121 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.145 5.911 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.758 6.672 -0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.726 6.051 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.130 7.634 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.100 7.518 1.337 1.00 0.00 H new ATOM 1165 N LYS A 94 9.452 10.933 4.273 1.00 0.00 N ATOM 1166 CA LYS A 94 8.878 12.095 4.909 1.00 0.00 C ATOM 1167 C LYS A 94 9.096 13.340 4.059 1.00 0.00 C ATOM 1168 O LYS A 94 8.210 14.184 3.938 1.00 0.00 O ATOM 1169 CB LYS A 94 9.491 12.295 6.296 1.00 0.00 C ATOM 1170 CG LYS A 94 8.596 13.072 7.241 1.00 0.00 C ATOM 1171 CD LYS A 94 8.871 12.715 8.693 1.00 0.00 C ATOM 1172 CE LYS A 94 7.581 12.590 9.489 1.00 0.00 C ATOM 1173 NZ LYS A 94 7.746 13.062 10.892 1.00 0.00 N ATOM 0 H LYS A 94 10.369 10.667 4.632 1.00 0.00 H new ATOM 0 HA LYS A 94 7.805 11.932 5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.710 11.321 6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.441 12.819 6.193 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.751 14.141 7.093 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.552 12.865 7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.422 11.775 8.740 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.505 13.479 9.143 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.796 13.168 9.001 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.256 11.550 9.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.845 12.960 11.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.477 12.494 11.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.032 14.062 10.891 1.00 0.00 H new ATOM 1187 N ASN A 95 10.285 13.452 3.476 1.00 0.00 N ATOM 1188 CA ASN A 95 10.615 14.599 2.647 1.00 0.00 C ATOM 1189 C ASN A 95 11.103 14.175 1.262 1.00 0.00 C ATOM 1190 O ASN A 95 12.215 14.510 0.855 1.00 0.00 O ATOM 1191 CB ASN A 95 11.679 15.449 3.341 1.00 0.00 C ATOM 1192 CG ASN A 95 12.915 14.647 3.699 1.00 0.00 C ATOM 1193 OD1 ASN A 95 13.902 14.646 2.964 1.00 0.00 O ATOM 1194 ND2 ASN A 95 12.866 13.962 4.835 1.00 0.00 N ATOM 0 H ASN A 95 11.032 12.763 3.564 1.00 0.00 H new ATOM 0 HA ASN A 95 9.707 15.187 2.511 1.00 0.00 H new ATOM 0 HB2 ASN A 95 11.962 16.276 2.690 1.00 0.00 H new ATOM 0 HB3 ASN A 95 11.258 15.886 4.246 1.00 0.00 H new ATOM 0 HD21 ASN A 95 13.668 13.405 5.130 1.00 0.00 H new ATOM 0 HD22 ASN A 95 12.026 13.992 5.413 1.00 0.00 H new ATOM 1201 N GLN A 96 10.257 13.449 0.537 1.00 0.00 N ATOM 1202 CA GLN A 96 10.595 12.995 -0.807 1.00 0.00 C ATOM 1203 C GLN A 96 9.762 13.743 -1.843 1.00 0.00 C ATOM 1204 O GLN A 96 10.239 14.052 -2.936 1.00 0.00 O ATOM 1205 CB GLN A 96 10.375 11.484 -0.946 1.00 0.00 C ATOM 1206 CG GLN A 96 9.389 10.904 0.055 1.00 0.00 C ATOM 1207 CD GLN A 96 7.964 11.343 -0.212 1.00 0.00 C ATOM 1208 OE1 GLN A 96 7.362 12.019 0.758 1.00 0.00 O flip ATOM 1209 NE2 GLN A 96 7.410 11.078 -1.278 1.00 0.00 N flip ATOM 0 H GLN A 96 9.332 13.163 0.858 1.00 0.00 H new ATOM 0 HA GLN A 96 11.650 13.206 -0.981 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.020 11.271 -1.954 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.333 10.977 -0.832 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.442 9.816 0.023 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.677 11.208 1.061 1.00 0.00 H new ATOM 0 HE21 GLN A 96 7.911 10.556 -1.997 1.00 0.00 H new ATOM 0 HE22 GLN A 96 6.450 11.381 -1.443 1.00 0.00 H new ATOM 1218 N SER A 97 8.514 14.038 -1.481 1.00 0.00 N ATOM 1219 CA SER A 97 7.587 14.764 -2.353 1.00 0.00 C ATOM 1220 C SER A 97 6.927 13.848 -3.383 1.00 0.00 C ATOM 1221 O SER A 97 5.977 14.249 -4.056 1.00 0.00 O ATOM 1222 CB SER A 97 8.301 15.918 -3.064 1.00 0.00 C ATOM 1223 OG SER A 97 9.340 16.450 -2.261 1.00 0.00 O ATOM 0 H SER A 97 8.116 13.782 -0.577 1.00 0.00 H new ATOM 0 HA SER A 97 6.801 15.166 -1.713 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.713 15.567 -4.010 1.00 0.00 H new ATOM 0 HB3 SER A 97 7.583 16.703 -3.301 1.00 0.00 H new ATOM 0 HG SER A 97 9.301 17.429 -2.281 1.00 0.00 H new ATOM 1229 N ARG A 98 7.422 12.623 -3.502 1.00 0.00 N ATOM 1230 CA ARG A 98 6.865 11.667 -4.454 1.00 0.00 C ATOM 1231 C ARG A 98 7.147 10.233 -4.013 1.00 0.00 C ATOM 1232 O ARG A 98 8.152 9.964 -3.355 1.00 0.00 O ATOM 1233 CB ARG A 98 7.438 11.916 -5.852 1.00 0.00 C ATOM 1234 CG ARG A 98 6.428 12.496 -6.832 1.00 0.00 C ATOM 1235 CD ARG A 98 6.939 13.770 -7.479 1.00 0.00 C ATOM 1236 NE ARG A 98 6.751 14.939 -6.621 1.00 0.00 N ATOM 1237 CZ ARG A 98 6.762 16.194 -7.063 1.00 0.00 C ATOM 1238 NH1 ARG A 98 6.956 16.451 -8.352 1.00 0.00 N ATOM 1239 NH2 ARG A 98 6.579 17.197 -6.216 1.00 0.00 N ATOM 0 H ARG A 98 8.205 12.267 -2.954 1.00 0.00 H new ATOM 0 HA ARG A 98 5.785 11.807 -4.486 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.286 12.597 -5.772 1.00 0.00 H new ATOM 0 HB3 ARG A 98 7.820 10.977 -6.251 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.207 11.759 -7.604 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.493 12.702 -6.311 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.998 13.658 -7.711 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.421 13.928 -8.425 1.00 0.00 H new ATOM 0 HE ARG A 98 6.603 14.783 -5.624 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.098 15.684 -9.009 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.963 17.415 -8.684 1.00 0.00 H new ATOM 0 HH21 ARG A 98 6.430 17.007 -5.225 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.588 18.159 -6.555 1.00 0.00 H new ATOM 1253 N VAL A 99 6.252 9.315 -4.372 1.00 0.00 N ATOM 1254 CA VAL A 99 6.411 7.912 -4.000 1.00 0.00 C ATOM 1255 C VAL A 99 6.012 6.973 -5.131 1.00 0.00 C ATOM 1256 O VAL A 99 4.827 6.736 -5.369 1.00 0.00 O ATOM 1257 CB VAL A 99 5.578 7.565 -2.750 1.00 0.00 C ATOM 1258 CG1 VAL A 99 6.023 6.232 -2.166 1.00 0.00 C ATOM 1259 CG2 VAL A 99 5.681 8.672 -1.708 1.00 0.00 C ATOM 0 H VAL A 99 5.414 9.516 -4.917 1.00 0.00 H new ATOM 0 HA VAL A 99 7.470 7.773 -3.783 1.00 0.00 H new ATOM 0 HB VAL A 99 4.533 7.477 -3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.424 6.003 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 99 5.889 5.446 -2.910 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.075 6.291 -1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.086 8.406 -0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.723 8.798 -1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.309 9.605 -2.131 1.00 0.00 H new ATOM 1269 N LYS A 100 7.013 6.418 -5.807 1.00 0.00 N ATOM 1270 CA LYS A 100 6.776 5.476 -6.894 1.00 0.00 C ATOM 1271 C LYS A 100 6.820 4.058 -6.346 1.00 0.00 C ATOM 1272 O LYS A 100 7.820 3.355 -6.492 1.00 0.00 O ATOM 1273 CB LYS A 100 7.835 5.630 -7.988 1.00 0.00 C ATOM 1274 CG LYS A 100 8.110 7.074 -8.372 1.00 0.00 C ATOM 1275 CD LYS A 100 7.860 7.314 -9.854 1.00 0.00 C ATOM 1276 CE LYS A 100 6.443 6.932 -10.252 1.00 0.00 C ATOM 1277 NZ LYS A 100 6.409 6.204 -11.551 1.00 0.00 N ATOM 0 H LYS A 100 7.998 6.605 -5.620 1.00 0.00 H new ATOM 0 HA LYS A 100 5.797 5.682 -7.327 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.764 5.170 -7.650 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.512 5.083 -8.874 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.475 7.736 -7.783 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.143 7.325 -8.131 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.033 8.365 -10.087 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.572 6.735 -10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.003 6.308 -9.474 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.831 7.831 -10.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.426 5.961 -11.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.805 6.809 -12.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.972 5.333 -11.476 1.00 0.00 H new ATOM 1291 N LEU A 101 5.744 3.654 -5.693 1.00 0.00 N ATOM 1292 CA LEU A 101 5.676 2.329 -5.098 1.00 0.00 C ATOM 1293 C LEU A 101 4.796 1.391 -5.913 1.00 0.00 C ATOM 1294 O LEU A 101 3.614 1.654 -6.136 1.00 0.00 O ATOM 1295 CB LEU A 101 5.189 2.423 -3.650 1.00 0.00 C ATOM 1296 CG LEU A 101 3.772 2.937 -3.472 1.00 0.00 C ATOM 1297 CD1 LEU A 101 3.261 2.611 -2.079 1.00 0.00 C ATOM 1298 CD2 LEU A 101 3.700 4.439 -3.730 1.00 0.00 C ATOM 0 H LEU A 101 4.907 4.222 -5.561 1.00 0.00 H new ATOM 0 HA LEU A 101 6.681 1.907 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.259 1.434 -3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.866 3.075 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 101 3.135 2.438 -4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.244 2.986 -1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.267 1.531 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.905 3.082 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.674 4.782 -3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.352 4.960 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.023 4.649 -4.750 1.00 0.00 H new ATOM 1310 N ASN A 102 5.394 0.289 -6.359 1.00 0.00 N ATOM 1311 CA ASN A 102 4.684 -0.705 -7.151 1.00 0.00 C ATOM 1312 C ASN A 102 3.988 -1.707 -6.240 1.00 0.00 C ATOM 1313 O ASN A 102 4.635 -2.554 -5.622 1.00 0.00 O ATOM 1314 CB ASN A 102 5.654 -1.429 -8.087 1.00 0.00 C ATOM 1315 CG ASN A 102 5.171 -1.439 -9.525 1.00 0.00 C ATOM 1316 OD1 ASN A 102 4.853 -0.263 -10.051 1.00 0.00 O flip ATOM 1317 ND2 ASN A 102 5.088 -2.493 -10.156 1.00 0.00 N flip ATOM 0 H ASN A 102 6.373 0.064 -6.183 1.00 0.00 H new ATOM 0 HA ASN A 102 3.931 -0.197 -7.753 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.630 -0.947 -8.038 1.00 0.00 H new ATOM 0 HB3 ASN A 102 5.788 -2.455 -7.744 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.343 -3.375 -9.712 1.00 0.00 H new ATOM 0 HD22 ASN A 102 4.764 -2.484 -11.123 1.00 0.00 H new ATOM 1324 N ILE A 103 2.670 -1.603 -6.154 1.00 0.00 N ATOM 1325 CA ILE A 103 1.894 -2.499 -5.312 1.00 0.00 C ATOM 1326 C ILE A 103 1.126 -3.513 -6.148 1.00 0.00 C ATOM 1327 O ILE A 103 1.113 -3.438 -7.377 1.00 0.00 O ATOM 1328 CB ILE A 103 0.907 -1.719 -4.421 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -0.209 -1.087 -5.251 1.00 0.00 C ATOM 1330 CG2 ILE A 103 1.636 -0.647 -3.634 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -1.574 -1.304 -4.653 1.00 0.00 C ATOM 0 H ILE A 103 2.117 -0.908 -6.656 1.00 0.00 H new ATOM 0 HA ILE A 103 2.602 -3.028 -4.674 1.00 0.00 H new ATOM 0 HB ILE A 103 0.457 -2.428 -3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.024 -0.017 -5.345 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.188 -1.504 -6.258 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.924 -0.106 -3.010 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.393 -1.111 -3.002 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.116 0.048 -4.323 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.327 -0.833 -5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.775 -2.373 -4.584 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.609 -0.863 -3.657 1.00 0.00 H new ATOM 1343 N VAL A 104 0.481 -4.457 -5.476 1.00 0.00 N ATOM 1344 CA VAL A 104 -0.296 -5.481 -6.157 1.00 0.00 C ATOM 1345 C VAL A 104 -1.700 -5.580 -5.575 1.00 0.00 C ATOM 1346 O VAL A 104 -1.892 -5.499 -4.357 1.00 0.00 O ATOM 1347 CB VAL A 104 0.376 -6.867 -6.080 1.00 0.00 C ATOM 1348 CG1 VAL A 104 1.325 -7.067 -7.251 1.00 0.00 C ATOM 1349 CG2 VAL A 104 1.103 -7.047 -4.759 1.00 0.00 C ATOM 0 H VAL A 104 0.481 -4.534 -4.459 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.352 -5.179 -7.203 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.404 -7.626 -6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.789 -8.050 -7.179 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.769 -6.996 -8.186 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.098 -6.298 -7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.568 -8.033 -4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.871 -6.280 -4.659 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.392 -6.957 -3.937 1.00 0.00 H new