USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 457 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 26 GLN :FLIP amide:sc= -2.34 F(o=-5.1!,f=-3.6) USER MOD Set 1.2: A 55 GLN :FLIP amide:sc= -1.31 F(o=-5.9,f=-3.6) USER MOD Set 2.1: A 21 ASN : amide:sc= -3.08! C(o=-3.5!,f=-5.5!) USER MOD Set 2.2: A 52 ASN : amide:sc= -0.404 K(o=-3.5,f=-8.9!) USER MOD Set 3.1: A 32 GLN : amide:sc= 1.17 K(o=-2.1,f=-9.9!) USER MOD Set 3.2: A 35 LYS NZ :NH3+ -141:sc= -3.28! (180deg=-5.54!) USER MOD Set 4.1: A 9 GLN : amide:sc= -0.359 K(o=-0.71,f=-5.1!) USER MOD Set 4.2: A 10 GLN : amide:sc= -0.347 X(o=-0.71,f=-1.2) USER MOD Set 5.1: A 7 LYS NZ :NH3+ -109:sc= 0.706! (180deg=-0.261) USER MOD Set 5.2: A 39 SER OG : rot 180:sc= 0.927 USER MOD Set 6.1: A 1 VAL N :NH3+ -133:sc= -0.188! (180deg=0.00527) USER MOD Set 6.2: A 6 ASN : amide:sc= -0.775! C(o=-0.96!,f=-14!) USER MOD Single : A 3 ASN :FLIP amide:sc= 0.101 F(o=-1.5,f=0.1) USER MOD Single : A 4 LYS NZ :NH3+ 177:sc= -0.112! (180deg=-0.175) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.227 F(o=-1.6!,f=-0.23) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.784 K(o=0.78,f=-2.6!) USER MOD Single : A 23 ASN : amide:sc= 0.435 K(o=0.44,f=-6.1!) USER MOD Single : A 28 ASN : amide:sc= 0.493 K(o=0.49,f=-1.2) USER MOD Single : A 33 SER OG : rot 170:sc= -0.0575 USER MOD Single : A 40 GLN : amide:sc= 0.657 K(o=0.66,f=0) USER MOD Single : A 41 SER OG : rot 54:sc= 0.852 USER MOD Single : A 43 ASN :FLIP amide:sc= -0.233 F(o=-1.6!,f=-0.23) USER MOD Single : A 49 LYS NZ :NH3+ -138:sc= -3.7! (180deg=-5.46!) USER MOD Single : A 50 LYS NZ :NH3+ 146:sc= 1.1 (180deg=0.379) USER MOD Single : A 58 LYS NZ :NH3+ -171:sc= 1.85 (180deg=1.79) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.529 -13.806 -9.684 1.00 0.00 N ATOM 2 CA VAL A 1 8.776 -13.689 -8.943 1.00 0.00 C ATOM 3 C VAL A 1 8.785 -14.646 -7.747 1.00 0.00 C ATOM 4 O VAL A 1 8.725 -15.849 -7.992 1.00 0.00 O ATOM 5 CB VAL A 1 8.981 -12.209 -8.518 1.00 0.00 C ATOM 6 CG1 VAL A 1 10.421 -11.955 -8.030 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.732 -11.232 -9.680 1.00 0.00 C ATOM 0 H1 VAL A 1 7.735 -13.878 -10.701 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.019 -14.657 -9.373 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.941 -12.967 -9.508 1.00 0.00 H new ATOM 0 HA VAL A 1 9.614 -13.977 -9.578 1.00 0.00 H new ATOM 0 HB VAL A 1 8.261 -12.037 -7.718 1.00 0.00 H new ATOM 0 HG11 VAL A 1 10.528 -10.910 -7.741 1.00 0.00 H new ATOM 0 HG12 VAL A 1 10.632 -12.592 -7.171 1.00 0.00 H new ATOM 0 HG13 VAL A 1 11.123 -12.183 -8.832 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.887 -10.210 -9.335 1.00 0.00 H new ATOM 0 HG22 VAL A 1 9.424 -11.450 -10.493 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.708 -11.343 -10.036 1.00 0.00 H new ATOM 19 N ASP A 2 8.849 -14.239 -6.471 1.00 0.00 N ATOM 20 CA ASP A 2 8.899 -15.180 -5.359 1.00 0.00 C ATOM 21 C ASP A 2 7.540 -15.826 -5.036 1.00 0.00 C ATOM 22 O ASP A 2 6.622 -15.833 -5.857 1.00 0.00 O ATOM 23 CB ASP A 2 9.541 -14.425 -4.156 1.00 0.00 C ATOM 24 CG ASP A 2 8.545 -13.671 -3.292 1.00 0.00 C ATOM 25 OD1 ASP A 2 8.113 -12.570 -3.609 1.00 0.00 O ATOM 26 OD2 ASP A 2 8.189 -14.181 -2.240 1.00 0.00 O ATOM 0 H ASP A 2 8.867 -13.259 -6.190 1.00 0.00 H new ATOM 0 HA ASP A 2 9.512 -16.041 -5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.075 -15.143 -3.533 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.281 -13.721 -4.536 1.00 0.00 H new ATOM 31 N ASN A 3 7.347 -16.389 -3.843 1.00 0.00 N ATOM 32 CA ASN A 3 6.054 -16.975 -3.478 1.00 0.00 C ATOM 33 C ASN A 3 4.956 -15.924 -3.281 1.00 0.00 C ATOM 34 O ASN A 3 3.759 -16.168 -3.444 1.00 0.00 O ATOM 35 CB ASN A 3 6.222 -17.882 -2.230 1.00 0.00 C ATOM 36 CG ASN A 3 6.725 -17.114 -1.020 1.00 0.00 C ATOM 37 OD1 ASN A 3 7.995 -16.762 -0.957 1.00 0.00 O flip ATOM 38 ND2 ASN A 3 5.974 -16.801 -0.105 1.00 0.00 N flip ATOM 0 H ASN A 3 8.061 -16.452 -3.118 1.00 0.00 H new ATOM 0 HA ASN A 3 5.719 -17.588 -4.315 1.00 0.00 H new ATOM 0 HB2 ASN A 3 5.265 -18.346 -1.990 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.919 -18.688 -2.461 1.00 0.00 H new ATOM 0 HD21 ASN A 3 4.990 -17.066 -0.140 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.333 -16.275 0.692 1.00 0.00 H new ATOM 45 N LYS A 4 5.411 -14.733 -2.923 1.00 0.00 N ATOM 46 CA LYS A 4 4.576 -13.561 -2.711 1.00 0.00 C ATOM 47 C LYS A 4 4.306 -12.793 -4.002 1.00 0.00 C ATOM 48 O LYS A 4 3.149 -12.637 -4.407 1.00 0.00 O ATOM 49 CB LYS A 4 5.283 -12.632 -1.706 1.00 0.00 C ATOM 50 CG LYS A 4 5.617 -13.345 -0.393 1.00 0.00 C ATOM 51 CD LYS A 4 6.350 -12.406 0.575 1.00 0.00 C ATOM 52 CE LYS A 4 7.882 -12.540 0.527 1.00 0.00 C ATOM 53 NZ LYS A 4 8.434 -11.883 -0.647 1.00 0.00 N ATOM 0 H LYS A 4 6.402 -14.550 -2.767 1.00 0.00 H new ATOM 0 HA LYS A 4 3.613 -13.899 -2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.200 -12.248 -2.152 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.646 -11.772 -1.498 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.700 -13.707 0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.237 -14.218 -0.597 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.077 -11.376 0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.008 -12.607 1.590 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.316 -12.105 1.427 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.157 -13.595 0.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.472 -11.947 -0.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.077 -12.349 -1.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.149 -10.883 -0.651 1.00 0.00 H new ATOM 67 N PHE A 5 5.384 -12.310 -4.636 1.00 0.00 N ATOM 68 CA PHE A 5 5.333 -11.506 -5.863 1.00 0.00 C ATOM 69 C PHE A 5 4.918 -12.231 -7.158 1.00 0.00 C ATOM 70 O PHE A 5 5.658 -12.342 -8.135 1.00 0.00 O ATOM 71 CB PHE A 5 6.701 -10.780 -6.029 1.00 0.00 C ATOM 72 CG PHE A 5 6.956 -9.580 -5.137 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.220 -9.307 -3.971 1.00 0.00 C ATOM 74 CD2 PHE A 5 7.983 -8.692 -5.524 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.516 -8.165 -3.222 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.279 -7.544 -4.767 1.00 0.00 C ATOM 77 CZ PHE A 5 7.538 -7.279 -3.608 1.00 0.00 C ATOM 0 H PHE A 5 6.334 -12.471 -4.303 1.00 0.00 H new ATOM 0 HA PHE A 5 4.513 -10.802 -5.722 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.494 -11.507 -5.854 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.789 -10.456 -7.066 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.432 -9.975 -3.656 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.552 -8.898 -6.418 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.948 -7.958 -2.327 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.068 -6.875 -5.076 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.750 -6.401 -3.015 1.00 0.00 H new ATOM 87 N ASN A 6 3.687 -12.733 -7.130 1.00 0.00 N ATOM 88 CA ASN A 6 3.017 -13.422 -8.235 1.00 0.00 C ATOM 89 C ASN A 6 1.499 -13.229 -8.188 1.00 0.00 C ATOM 90 O ASN A 6 0.838 -13.024 -9.206 1.00 0.00 O ATOM 91 CB ASN A 6 3.281 -14.955 -8.184 1.00 0.00 C ATOM 92 CG ASN A 6 4.642 -15.362 -8.715 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.228 -14.746 -9.596 1.00 0.00 O ATOM 94 ND2 ASN A 6 5.199 -16.450 -8.230 1.00 0.00 N ATOM 0 H ASN A 6 3.100 -12.669 -6.299 1.00 0.00 H new ATOM 0 HA ASN A 6 3.424 -12.988 -9.148 1.00 0.00 H new ATOM 0 HB2 ASN A 6 3.187 -15.296 -7.153 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.509 -15.466 -8.760 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.101 -16.764 -8.588 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.729 -16.979 -7.496 1.00 0.00 H new ATOM 101 N LYS A 7 0.931 -13.295 -6.980 1.00 0.00 N ATOM 102 CA LYS A 7 -0.509 -13.188 -6.757 1.00 0.00 C ATOM 103 C LYS A 7 -1.083 -11.774 -6.560 1.00 0.00 C ATOM 104 O LYS A 7 -0.537 -10.791 -7.076 1.00 0.00 O ATOM 105 CB LYS A 7 -0.829 -14.179 -5.609 1.00 0.00 C ATOM 106 CG LYS A 7 -0.100 -13.908 -4.273 1.00 0.00 C ATOM 107 CD LYS A 7 -0.476 -15.007 -3.258 1.00 0.00 C ATOM 108 CE LYS A 7 0.034 -14.731 -1.833 1.00 0.00 C ATOM 109 NZ LYS A 7 -0.770 -13.689 -1.214 1.00 0.00 N ATOM 0 H LYS A 7 1.466 -13.426 -6.122 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.031 -13.453 -7.677 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.903 -14.162 -5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.578 -15.186 -5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.979 -13.895 -4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.378 -12.928 -3.886 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.561 -15.111 -3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.073 -15.960 -3.601 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.014 -15.642 -1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.080 -14.426 -1.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.207 -12.818 -1.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.610 -13.505 -1.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.069 -13.998 -0.267 1.00 0.00 H new ATOM 123 N GLU A 8 -2.181 -11.622 -5.793 1.00 0.00 N ATOM 124 CA GLU A 8 -2.861 -10.336 -5.575 1.00 0.00 C ATOM 125 C GLU A 8 -1.931 -9.233 -5.094 1.00 0.00 C ATOM 126 O GLU A 8 -2.126 -8.044 -5.349 1.00 0.00 O ATOM 127 CB GLU A 8 -4.030 -10.522 -4.569 1.00 0.00 C ATOM 128 CG GLU A 8 -3.633 -10.635 -3.064 1.00 0.00 C ATOM 129 CD GLU A 8 -2.573 -11.690 -2.819 1.00 0.00 C ATOM 130 OE1 GLU A 8 -2.750 -12.838 -3.210 1.00 0.00 O ATOM 131 OE2 GLU A 8 -1.531 -11.389 -2.245 1.00 0.00 O ATOM 0 H GLU A 8 -2.623 -12.400 -5.303 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.243 -10.017 -6.545 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.715 -9.681 -4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.581 -11.421 -4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.267 -9.669 -2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.519 -10.872 -2.475 1.00 0.00 H new ATOM 138 N GLN A 9 -0.911 -9.698 -4.384 1.00 0.00 N ATOM 139 CA GLN A 9 0.177 -8.975 -3.814 1.00 0.00 C ATOM 140 C GLN A 9 0.653 -7.846 -4.732 1.00 0.00 C ATOM 141 O GLN A 9 0.743 -6.674 -4.357 1.00 0.00 O ATOM 142 CB GLN A 9 1.127 -10.118 -3.625 1.00 0.00 C ATOM 143 CG GLN A 9 1.978 -10.005 -2.434 1.00 0.00 C ATOM 144 CD GLN A 9 2.854 -8.786 -2.410 1.00 0.00 C ATOM 145 OE1 GLN A 9 3.120 -8.097 -3.392 1.00 0.00 O ATOM 146 NE2 GLN A 9 3.330 -8.531 -1.227 1.00 0.00 N ATOM 0 H GLN A 9 -0.835 -10.695 -4.183 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.014 -8.416 -2.898 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.555 -11.044 -3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.764 -10.196 -4.506 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.343 -9.998 -1.548 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.608 -10.892 -2.368 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.084 -9.129 -0.438 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.950 -7.733 -1.088 1.00 0.00 H new ATOM 155 N GLN A 10 0.930 -8.214 -5.982 1.00 0.00 N ATOM 156 CA GLN A 10 1.432 -7.253 -6.947 1.00 0.00 C ATOM 157 C GLN A 10 0.348 -6.280 -7.405 1.00 0.00 C ATOM 158 O GLN A 10 0.627 -5.117 -7.700 1.00 0.00 O ATOM 159 CB GLN A 10 2.127 -8.006 -8.095 1.00 0.00 C ATOM 160 CG GLN A 10 3.395 -8.740 -7.570 1.00 0.00 C ATOM 161 CD GLN A 10 4.465 -7.777 -7.122 1.00 0.00 C ATOM 162 OE1 GLN A 10 5.232 -7.222 -7.901 1.00 0.00 O ATOM 163 NE2 GLN A 10 4.550 -7.548 -5.831 1.00 0.00 N ATOM 0 H GLN A 10 0.815 -9.161 -6.342 1.00 0.00 H new ATOM 0 HA GLN A 10 2.180 -6.616 -6.475 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.438 -8.726 -8.536 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.404 -7.306 -8.883 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.120 -9.388 -6.738 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.792 -9.383 -8.356 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.909 -8.012 -5.187 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.257 -6.906 -5.472 1.00 0.00 H new ATOM 172 N ASN A 11 -0.914 -6.717 -7.452 1.00 0.00 N ATOM 173 CA ASN A 11 -2.015 -5.836 -7.825 1.00 0.00 C ATOM 174 C ASN A 11 -2.109 -4.765 -6.739 1.00 0.00 C ATOM 175 O ASN A 11 -2.249 -3.574 -7.017 1.00 0.00 O ATOM 176 CB ASN A 11 -3.314 -6.676 -7.925 1.00 0.00 C ATOM 177 CG ASN A 11 -4.483 -5.885 -8.496 1.00 0.00 C ATOM 178 OD1 ASN A 11 -4.705 -4.632 -8.139 1.00 0.00 O flip ATOM 179 ND2 ASN A 11 -5.252 -6.391 -9.302 1.00 0.00 N flip ATOM 0 H ASN A 11 -1.194 -7.674 -7.236 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.860 -5.359 -8.793 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -3.130 -7.548 -8.552 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -3.580 -7.046 -6.935 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.114 -7.356 -9.602 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -6.031 -5.848 -9.674 1.00 0.00 H new ATOM 186 N ALA A 12 -2.039 -5.195 -5.476 1.00 0.00 N ATOM 187 CA ALA A 12 -2.061 -4.277 -4.345 1.00 0.00 C ATOM 188 C ALA A 12 -0.862 -3.333 -4.397 1.00 0.00 C ATOM 189 O ALA A 12 -0.984 -2.137 -4.148 1.00 0.00 O ATOM 190 CB ALA A 12 -2.078 -5.070 -3.029 1.00 0.00 C ATOM 0 H ALA A 12 -1.966 -6.178 -5.215 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.966 -3.672 -4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.094 -4.378 -2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.966 -5.702 -2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.186 -5.694 -2.968 1.00 0.00 H new ATOM 196 N PHE A 13 0.313 -3.866 -4.723 1.00 0.00 N ATOM 197 CA PHE A 13 1.533 -3.081 -4.867 1.00 0.00 C ATOM 198 C PHE A 13 1.358 -1.944 -5.871 1.00 0.00 C ATOM 199 O PHE A 13 1.661 -0.771 -5.636 1.00 0.00 O ATOM 200 CB PHE A 13 2.626 -4.066 -5.314 1.00 0.00 C ATOM 201 CG PHE A 13 4.043 -3.509 -5.228 1.00 0.00 C ATOM 202 CD1 PHE A 13 4.537 -2.457 -6.023 1.00 0.00 C ATOM 203 CD2 PHE A 13 4.895 -4.105 -4.278 1.00 0.00 C ATOM 204 CE1 PHE A 13 5.867 -2.018 -5.855 1.00 0.00 C ATOM 205 CE2 PHE A 13 6.219 -3.672 -4.106 1.00 0.00 C ATOM 206 CZ PHE A 13 6.708 -2.620 -4.902 1.00 0.00 C ATOM 0 H PHE A 13 0.445 -4.863 -4.896 1.00 0.00 H new ATOM 0 HA PHE A 13 1.800 -2.600 -3.926 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.563 -4.964 -4.700 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.428 -4.368 -6.342 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.900 -1.988 -6.758 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.521 -4.914 -3.668 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.244 -1.210 -6.465 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.856 -4.141 -3.371 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.725 -2.276 -4.782 1.00 0.00 H new ATOM 216 N TYR A 14 0.856 -2.329 -7.035 1.00 0.00 N ATOM 217 CA TYR A 14 0.569 -1.380 -8.100 1.00 0.00 C ATOM 218 C TYR A 14 -0.458 -0.348 -7.650 1.00 0.00 C ATOM 219 O TYR A 14 -0.281 0.850 -7.840 1.00 0.00 O ATOM 220 CB TYR A 14 0.115 -2.118 -9.393 1.00 0.00 C ATOM 221 CG TYR A 14 1.173 -2.917 -10.184 1.00 0.00 C ATOM 222 CD1 TYR A 14 2.253 -3.653 -9.635 1.00 0.00 C ATOM 223 CD2 TYR A 14 1.034 -2.892 -11.591 1.00 0.00 C ATOM 224 CE1 TYR A 14 3.162 -4.341 -10.476 1.00 0.00 C ATOM 225 CE2 TYR A 14 1.933 -3.574 -12.436 1.00 0.00 C ATOM 226 CZ TYR A 14 3.005 -4.303 -11.881 1.00 0.00 C ATOM 227 OH TYR A 14 3.871 -4.958 -12.707 1.00 0.00 O ATOM 0 H TYR A 14 0.638 -3.298 -7.267 1.00 0.00 H new ATOM 0 HA TYR A 14 1.488 -0.843 -8.335 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.687 -2.805 -9.121 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.315 -1.377 -10.066 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.384 -3.690 -8.564 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.218 -2.336 -12.029 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.979 -4.898 -10.042 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.801 -3.538 -13.507 1.00 0.00 H new ATOM 0 HH TYR A 14 3.603 -4.818 -13.639 1.00 0.00 H new ATOM 237 N GLU A 15 -1.545 -0.810 -7.026 1.00 0.00 N ATOM 238 CA GLU A 15 -2.585 0.066 -6.497 1.00 0.00 C ATOM 239 C GLU A 15 -1.944 1.072 -5.534 1.00 0.00 C ATOM 240 O GLU A 15 -2.237 2.269 -5.528 1.00 0.00 O ATOM 241 CB GLU A 15 -3.650 -0.848 -5.861 1.00 0.00 C ATOM 242 CG GLU A 15 -5.067 -0.233 -5.870 1.00 0.00 C ATOM 243 CD GLU A 15 -5.237 0.848 -4.829 1.00 0.00 C ATOM 244 OE1 GLU A 15 -5.612 0.535 -3.698 1.00 0.00 O ATOM 245 OE2 GLU A 15 -5.049 2.020 -5.157 1.00 0.00 O ATOM 0 H GLU A 15 -1.726 -1.802 -6.875 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.079 0.669 -7.259 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.670 -1.798 -6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.363 -1.067 -4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.273 0.182 -6.857 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.802 -1.019 -5.696 1.00 0.00 H new ATOM 252 N ILE A 16 -1.016 0.589 -4.707 1.00 0.00 N ATOM 253 CA ILE A 16 -0.264 1.420 -3.771 1.00 0.00 C ATOM 254 C ILE A 16 0.437 2.503 -4.583 1.00 0.00 C ATOM 255 O ILE A 16 0.231 3.690 -4.340 1.00 0.00 O ATOM 256 CB ILE A 16 0.692 0.496 -2.951 1.00 0.00 C ATOM 257 CG1 ILE A 16 0.075 0.237 -1.565 1.00 0.00 C ATOM 258 CG2 ILE A 16 2.132 1.026 -2.772 1.00 0.00 C ATOM 259 CD1 ILE A 16 0.618 -1.042 -0.914 1.00 0.00 C ATOM 0 H ILE A 16 -0.764 -0.399 -4.669 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.892 1.928 -3.039 1.00 0.00 H new ATOM 0 HB ILE A 16 0.788 -0.418 -3.537 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.279 1.088 -0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.008 0.161 -1.661 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.713 0.311 -2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.595 1.159 -3.750 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.105 1.983 -2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.152 -1.180 0.062 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.391 -1.898 -1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.698 -0.958 -0.791 1.00 0.00 H new ATOM 271 N LEU A 17 1.259 2.140 -5.576 1.00 0.00 N ATOM 272 CA LEU A 17 1.932 3.116 -6.443 1.00 0.00 C ATOM 273 C LEU A 17 0.965 4.084 -7.143 1.00 0.00 C ATOM 274 O LEU A 17 1.281 5.235 -7.460 1.00 0.00 O ATOM 275 CB LEU A 17 2.776 2.359 -7.477 1.00 0.00 C ATOM 276 CG LEU A 17 4.030 1.717 -6.870 1.00 0.00 C ATOM 277 CD1 LEU A 17 4.739 0.916 -7.957 1.00 0.00 C ATOM 278 CD2 LEU A 17 4.995 2.774 -6.313 1.00 0.00 C ATOM 0 H LEU A 17 1.475 1.169 -5.800 1.00 0.00 H new ATOM 0 HA LEU A 17 2.564 3.737 -5.809 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.165 1.584 -7.940 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.073 3.046 -8.269 1.00 0.00 H new ATOM 0 HG LEU A 17 3.725 1.074 -6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.634 0.452 -7.542 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.070 0.142 -8.333 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.020 1.581 -8.774 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.871 2.281 -5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.306 3.442 -7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.494 3.350 -5.535 1.00 0.00 H new ATOM 290 N HIS A 18 -0.244 3.591 -7.375 1.00 0.00 N ATOM 291 CA HIS A 18 -1.358 4.321 -7.975 1.00 0.00 C ATOM 292 C HIS A 18 -1.975 5.375 -7.041 1.00 0.00 C ATOM 293 O HIS A 18 -2.738 6.223 -7.507 1.00 0.00 O ATOM 294 CB HIS A 18 -2.370 3.225 -8.436 1.00 0.00 C ATOM 295 CG HIS A 18 -3.816 3.685 -8.522 1.00 0.00 C ATOM 296 ND1 HIS A 18 -4.805 3.301 -7.734 1.00 0.00 N ATOM 297 CD2 HIS A 18 -4.348 4.452 -9.530 1.00 0.00 C ATOM 298 CE1 HIS A 18 -5.908 3.779 -8.256 1.00 0.00 C ATOM 299 NE2 HIS A 18 -5.637 4.479 -9.331 1.00 0.00 N ATOM 0 H HIS A 18 -0.488 2.629 -7.141 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.023 4.924 -8.819 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.063 2.856 -9.414 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.312 2.384 -7.745 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.725 2.742 -6.885 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.806 4.937 -10.329 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -6.899 3.619 -7.857 1.00 0.00 H new ATOM 307 N LEU A 19 -1.679 5.386 -5.732 1.00 0.00 N ATOM 308 CA LEU A 19 -2.217 6.405 -4.831 1.00 0.00 C ATOM 309 C LEU A 19 -1.898 7.836 -5.316 1.00 0.00 C ATOM 310 O LEU A 19 -0.725 8.204 -5.425 1.00 0.00 O ATOM 311 CB LEU A 19 -1.690 6.128 -3.405 1.00 0.00 C ATOM 312 CG LEU A 19 -2.187 4.829 -2.800 1.00 0.00 C ATOM 313 CD1 LEU A 19 -1.426 4.455 -1.526 1.00 0.00 C ATOM 314 CD2 LEU A 19 -3.684 4.831 -2.506 1.00 0.00 C ATOM 0 H LEU A 19 -1.072 4.702 -5.280 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.305 6.345 -4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.600 6.111 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.981 6.953 -2.755 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.996 4.078 -3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.818 3.518 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.367 4.337 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.550 5.243 -0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.971 3.872 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.915 5.630 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.236 4.993 -3.432 1.00 0.00 H new ATOM 326 N PRO A 20 -2.903 8.692 -5.599 1.00 0.00 N ATOM 327 CA PRO A 20 -2.731 10.056 -6.122 1.00 0.00 C ATOM 328 C PRO A 20 -2.226 11.149 -5.178 1.00 0.00 C ATOM 329 O PRO A 20 -1.883 12.241 -5.640 1.00 0.00 O ATOM 330 CB PRO A 20 -4.118 10.371 -6.686 1.00 0.00 C ATOM 331 CG PRO A 20 -5.014 9.712 -5.654 1.00 0.00 C ATOM 332 CD PRO A 20 -4.323 8.366 -5.448 1.00 0.00 C ATOM 0 HA PRO A 20 -1.909 10.064 -6.838 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.297 11.443 -6.762 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.262 9.953 -7.682 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -5.067 10.289 -4.731 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -6.036 9.595 -6.016 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.538 7.949 -4.464 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.648 7.630 -6.184 1.00 0.00 H new ATOM 340 N ASN A 21 -2.165 10.913 -3.867 1.00 0.00 N ATOM 341 CA ASN A 21 -1.652 11.898 -2.917 1.00 0.00 C ATOM 342 C ASN A 21 -1.118 11.256 -1.625 1.00 0.00 C ATOM 343 O ASN A 21 -1.559 11.492 -0.500 1.00 0.00 O ATOM 344 CB ASN A 21 -2.725 12.993 -2.667 1.00 0.00 C ATOM 345 CG ASN A 21 -4.028 12.397 -2.174 1.00 0.00 C ATOM 346 OD1 ASN A 21 -4.893 11.967 -2.930 1.00 0.00 O ATOM 347 ND2 ASN A 21 -4.192 12.320 -0.873 1.00 0.00 N ATOM 0 H ASN A 21 -2.468 10.039 -3.437 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.781 12.383 -3.357 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.351 13.708 -1.934 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.903 13.545 -3.590 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.040 11.902 -0.490 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.472 12.678 -0.246 1.00 0.00 H new ATOM 354 N LEU A 22 -0.130 10.387 -1.865 1.00 0.00 N ATOM 355 CA LEU A 22 0.640 9.639 -0.880 1.00 0.00 C ATOM 356 C LEU A 22 1.939 9.175 -1.539 1.00 0.00 C ATOM 357 O LEU A 22 1.894 8.501 -2.565 1.00 0.00 O ATOM 358 CB LEU A 22 -0.129 8.403 -0.421 1.00 0.00 C ATOM 359 CG LEU A 22 0.717 7.631 0.590 1.00 0.00 C ATOM 360 CD1 LEU A 22 -0.171 7.033 1.691 1.00 0.00 C ATOM 361 CD2 LEU A 22 1.514 6.485 -0.034 1.00 0.00 C ATOM 0 H LEU A 22 0.168 10.178 -2.818 1.00 0.00 H new ATOM 0 HA LEU A 22 0.835 10.279 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.077 8.697 0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.365 7.769 -1.275 1.00 0.00 H new ATOM 0 HG LEU A 22 1.419 8.359 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.449 6.487 2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.697 7.835 2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.896 6.353 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.092 5.980 0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.829 5.775 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.191 6.882 -0.791 1.00 0.00 H new ATOM 373 N ASN A 23 3.115 9.505 -1.021 1.00 0.00 N ATOM 374 CA ASN A 23 4.392 9.116 -1.657 1.00 0.00 C ATOM 375 C ASN A 23 5.623 8.995 -0.740 1.00 0.00 C ATOM 376 O ASN A 23 6.671 8.466 -1.110 1.00 0.00 O ATOM 377 CB ASN A 23 4.667 10.034 -2.878 1.00 0.00 C ATOM 378 CG ASN A 23 5.757 9.426 -3.751 1.00 0.00 C ATOM 379 OD1 ASN A 23 5.526 8.598 -4.623 1.00 0.00 O ATOM 380 ND2 ASN A 23 7.009 9.756 -3.523 1.00 0.00 N ATOM 0 H ASN A 23 3.224 10.042 -0.161 1.00 0.00 H new ATOM 0 HA ASN A 23 4.242 8.084 -1.975 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.754 10.163 -3.459 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.972 11.024 -2.538 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.757 9.325 -4.066 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.232 10.443 -2.803 1.00 0.00 H new ATOM 387 N GLU A 24 5.526 9.497 0.474 1.00 0.00 N ATOM 388 CA GLU A 24 6.552 9.539 1.462 1.00 0.00 C ATOM 389 C GLU A 24 6.800 8.186 2.135 1.00 0.00 C ATOM 390 O GLU A 24 6.880 7.099 1.563 1.00 0.00 O ATOM 391 CB GLU A 24 6.032 10.679 2.403 1.00 0.00 C ATOM 392 CG GLU A 24 4.719 10.339 3.224 1.00 0.00 C ATOM 393 CD GLU A 24 3.657 9.594 2.427 1.00 0.00 C ATOM 394 OE1 GLU A 24 3.727 8.376 2.343 1.00 0.00 O ATOM 395 OE2 GLU A 24 2.837 10.213 1.765 1.00 0.00 O ATOM 0 H GLU A 24 4.657 9.914 0.808 1.00 0.00 H new ATOM 0 HA GLU A 24 7.549 9.747 1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.824 10.935 3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.843 11.567 1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.992 9.739 4.092 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.289 11.267 3.601 1.00 0.00 H new ATOM 402 N GLU A 25 6.843 8.341 3.435 1.00 0.00 N ATOM 403 CA GLU A 25 7.119 7.296 4.406 1.00 0.00 C ATOM 404 C GLU A 25 6.071 6.207 4.495 1.00 0.00 C ATOM 405 O GLU A 25 6.342 5.055 4.835 1.00 0.00 O ATOM 406 CB GLU A 25 7.449 7.973 5.748 1.00 0.00 C ATOM 407 CG GLU A 25 8.952 8.400 5.785 1.00 0.00 C ATOM 408 CD GLU A 25 9.473 8.866 4.428 1.00 0.00 C ATOM 409 OE1 GLU A 25 9.272 10.030 4.076 1.00 0.00 O ATOM 410 OE2 GLU A 25 10.026 8.030 3.707 1.00 0.00 O ATOM 0 H GLU A 25 6.678 9.247 3.874 1.00 0.00 H new ATOM 0 HA GLU A 25 7.984 6.726 4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.812 8.846 5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.238 7.289 6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.078 9.203 6.512 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.554 7.560 6.130 1.00 0.00 H new ATOM 417 N GLN A 26 4.846 6.573 4.158 1.00 0.00 N ATOM 418 CA GLN A 26 3.742 5.647 4.137 1.00 0.00 C ATOM 419 C GLN A 26 3.953 4.784 2.900 1.00 0.00 C ATOM 420 O GLN A 26 3.993 3.561 2.979 1.00 0.00 O ATOM 421 CB GLN A 26 2.411 6.430 4.071 1.00 0.00 C ATOM 422 CG GLN A 26 2.404 7.646 5.033 1.00 0.00 C ATOM 423 CD GLN A 26 1.168 8.510 4.869 1.00 0.00 C ATOM 424 OE1 GLN A 26 0.888 9.218 3.789 1.00 0.00 O flip ATOM 425 NE2 GLN A 26 0.368 8.597 5.790 1.00 0.00 N flip ATOM 0 H GLN A 26 4.595 7.525 3.892 1.00 0.00 H new ATOM 0 HA GLN A 26 3.696 5.027 5.032 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.243 6.774 3.050 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.586 5.764 4.323 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.461 7.291 6.062 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.293 8.251 4.855 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.525 8.076 6.653 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.456 9.191 5.695 1.00 0.00 H new ATOM 434 N ARG A 27 4.128 5.430 1.740 1.00 0.00 N ATOM 435 CA ARG A 27 4.393 4.741 0.471 1.00 0.00 C ATOM 436 C ARG A 27 5.503 3.717 0.611 1.00 0.00 C ATOM 437 O ARG A 27 5.430 2.559 0.215 1.00 0.00 O ATOM 438 CB ARG A 27 4.829 5.752 -0.576 1.00 0.00 C ATOM 439 CG ARG A 27 4.941 5.194 -2.020 1.00 0.00 C ATOM 440 CD ARG A 27 3.612 4.861 -2.698 1.00 0.00 C ATOM 441 NE ARG A 27 3.032 6.102 -3.203 1.00 0.00 N ATOM 442 CZ ARG A 27 2.709 6.278 -4.454 1.00 0.00 C ATOM 443 NH1 ARG A 27 1.554 5.906 -4.847 1.00 0.00 N ATOM 444 NH2 ARG A 27 3.497 6.836 -5.312 1.00 0.00 N ATOM 0 H ARG A 27 4.090 6.446 1.655 1.00 0.00 H new ATOM 0 HA ARG A 27 3.473 4.236 0.177 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.121 6.580 -0.577 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.797 6.160 -0.284 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.470 5.923 -2.633 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.554 4.293 -1.997 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.768 4.155 -3.514 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.933 4.385 -1.990 1.00 0.00 H new ATOM 0 HE ARG A 27 2.872 6.867 -2.547 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.903 5.480 -4.187 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.281 6.034 -5.821 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.419 7.162 -5.021 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.197 6.951 -6.280 1.00 0.00 H new ATOM 458 N ASN A 28 6.542 4.269 1.216 1.00 0.00 N ATOM 459 CA ASN A 28 7.770 3.585 1.558 1.00 0.00 C ATOM 460 C ASN A 28 7.508 2.348 2.422 1.00 0.00 C ATOM 461 O ASN A 28 7.834 1.213 2.062 1.00 0.00 O ATOM 462 CB ASN A 28 8.599 4.687 2.254 1.00 0.00 C ATOM 463 CG ASN A 28 9.962 4.246 2.730 1.00 0.00 C ATOM 464 OD1 ASN A 28 10.413 3.129 2.497 1.00 0.00 O ATOM 465 ND2 ASN A 28 10.658 5.122 3.432 1.00 0.00 N ATOM 0 H ASN A 28 6.549 5.251 1.493 1.00 0.00 H new ATOM 0 HA ASN A 28 8.301 3.169 0.702 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.723 5.521 1.563 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.035 5.062 3.108 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.581 4.873 3.787 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.272 6.048 3.619 1.00 0.00 H new ATOM 472 N ALA A 29 6.877 2.560 3.576 1.00 0.00 N ATOM 473 CA ALA A 29 6.593 1.490 4.520 1.00 0.00 C ATOM 474 C ALA A 29 5.723 0.408 3.887 1.00 0.00 C ATOM 475 O ALA A 29 6.001 -0.785 4.005 1.00 0.00 O ATOM 476 CB ALA A 29 5.911 2.094 5.756 1.00 0.00 C ATOM 0 H ALA A 29 6.550 3.478 3.879 1.00 0.00 H new ATOM 0 HA ALA A 29 7.527 1.011 4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.692 1.303 6.473 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.574 2.827 6.215 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.983 2.581 5.458 1.00 0.00 H new ATOM 482 N PHE A 30 4.655 0.803 3.192 1.00 0.00 N ATOM 483 CA PHE A 30 3.800 -0.155 2.510 1.00 0.00 C ATOM 484 C PHE A 30 4.600 -0.903 1.458 1.00 0.00 C ATOM 485 O PHE A 30 4.490 -2.116 1.398 1.00 0.00 O ATOM 486 CB PHE A 30 2.540 0.522 1.952 1.00 0.00 C ATOM 487 CG PHE A 30 1.748 0.734 3.252 1.00 0.00 C ATOM 488 CD1 PHE A 30 1.148 -0.421 3.807 1.00 0.00 C ATOM 489 CD2 PHE A 30 1.576 1.948 3.935 1.00 0.00 C ATOM 490 CE1 PHE A 30 0.405 -0.368 4.998 1.00 0.00 C ATOM 491 CE2 PHE A 30 0.834 1.992 5.126 1.00 0.00 C ATOM 492 CZ PHE A 30 0.245 0.846 5.666 1.00 0.00 C ATOM 0 H PHE A 30 4.367 1.776 3.090 1.00 0.00 H new ATOM 0 HA PHE A 30 3.441 -0.895 3.225 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.762 1.460 1.443 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.009 -0.110 1.240 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.264 -1.368 3.302 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.017 2.853 3.543 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.042 -1.267 5.396 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.716 2.936 5.638 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.323 0.899 6.583 1.00 0.00 H new ATOM 502 N ILE A 31 5.411 -0.261 0.613 1.00 0.00 N ATOM 503 CA ILE A 31 6.236 -0.976 -0.365 1.00 0.00 C ATOM 504 C ILE A 31 7.110 -2.036 0.329 1.00 0.00 C ATOM 505 O ILE A 31 7.127 -3.214 -0.041 1.00 0.00 O ATOM 506 CB ILE A 31 7.057 0.097 -1.139 1.00 0.00 C ATOM 507 CG1 ILE A 31 6.135 0.759 -2.192 1.00 0.00 C ATOM 508 CG2 ILE A 31 8.369 -0.429 -1.752 1.00 0.00 C ATOM 509 CD1 ILE A 31 6.791 1.950 -2.910 1.00 0.00 C ATOM 0 H ILE A 31 5.514 0.753 0.586 1.00 0.00 H new ATOM 0 HA ILE A 31 5.627 -1.535 -1.076 1.00 0.00 H new ATOM 0 HB ILE A 31 7.393 0.844 -0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.845 0.013 -2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.221 1.096 -1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.878 0.382 -2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.013 -0.812 -0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.146 -1.229 -2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.092 2.368 -3.634 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.057 2.714 -2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.690 1.613 -3.426 1.00 0.00 H new ATOM 521 N GLN A 32 7.850 -1.631 1.369 1.00 0.00 N ATOM 522 CA GLN A 32 8.694 -2.469 2.182 1.00 0.00 C ATOM 523 C GLN A 32 7.952 -3.724 2.654 1.00 0.00 C ATOM 524 O GLN A 32 8.348 -4.877 2.421 1.00 0.00 O ATOM 525 CB GLN A 32 9.093 -1.528 3.326 1.00 0.00 C ATOM 526 CG GLN A 32 10.458 -1.821 3.827 1.00 0.00 C ATOM 527 CD GLN A 32 10.694 -3.252 4.205 1.00 0.00 C ATOM 528 OE1 GLN A 32 11.455 -3.991 3.593 1.00 0.00 O ATOM 529 NE2 GLN A 32 10.007 -3.668 5.235 1.00 0.00 N ATOM 0 H GLN A 32 7.866 -0.656 1.669 1.00 0.00 H new ATOM 0 HA GLN A 32 9.561 -2.872 1.658 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.046 -0.495 2.981 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.377 -1.624 4.143 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.180 -1.538 3.061 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.654 -1.193 4.696 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.382 -3.027 5.723 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.096 -4.634 5.551 1.00 0.00 H new ATOM 538 N SER A 33 6.835 -3.428 3.324 1.00 0.00 N ATOM 539 CA SER A 33 5.953 -4.461 3.851 1.00 0.00 C ATOM 540 C SER A 33 5.354 -5.300 2.740 1.00 0.00 C ATOM 541 O SER A 33 5.057 -6.466 2.961 1.00 0.00 O ATOM 542 CB SER A 33 4.812 -3.917 4.704 1.00 0.00 C ATOM 543 OG SER A 33 4.112 -5.049 5.225 1.00 0.00 O ATOM 0 H SER A 33 6.523 -2.475 3.513 1.00 0.00 H new ATOM 0 HA SER A 33 6.594 -5.071 4.488 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.196 -3.294 5.512 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.147 -3.292 4.108 1.00 0.00 H new ATOM 0 HG SER A 33 3.472 -4.753 5.906 1.00 0.00 H new ATOM 549 N LEU A 34 5.127 -4.756 1.552 1.00 0.00 N ATOM 550 CA LEU A 34 4.614 -5.520 0.437 1.00 0.00 C ATOM 551 C LEU A 34 5.695 -6.528 0.092 1.00 0.00 C ATOM 552 O LEU A 34 5.427 -7.703 -0.111 1.00 0.00 O ATOM 553 CB LEU A 34 4.276 -4.591 -0.747 1.00 0.00 C ATOM 554 CG LEU A 34 2.772 -4.314 -0.973 1.00 0.00 C ATOM 555 CD1 LEU A 34 2.063 -5.532 -1.571 1.00 0.00 C ATOM 556 CD2 LEU A 34 2.035 -3.862 0.295 1.00 0.00 C ATOM 0 H LEU A 34 5.295 -3.772 1.340 1.00 0.00 H new ATOM 0 HA LEU A 34 3.684 -6.032 0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.783 -3.638 -0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.687 -5.028 -1.657 1.00 0.00 H new ATOM 0 HG LEU A 34 2.736 -3.486 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.007 -5.303 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.516 -5.782 -2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.160 -6.379 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.985 -3.686 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.113 -4.638 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.483 -2.941 0.668 1.00 0.00 H new ATOM 568 N LYS A 35 6.959 -6.114 0.030 1.00 0.00 N ATOM 569 CA LYS A 35 8.035 -7.055 -0.242 1.00 0.00 C ATOM 570 C LYS A 35 8.089 -8.145 0.838 1.00 0.00 C ATOM 571 O LYS A 35 8.274 -9.318 0.505 1.00 0.00 O ATOM 572 CB LYS A 35 9.341 -6.264 -0.443 1.00 0.00 C ATOM 573 CG LYS A 35 10.572 -7.136 -0.783 1.00 0.00 C ATOM 574 CD LYS A 35 11.285 -7.803 0.414 1.00 0.00 C ATOM 575 CE LYS A 35 11.820 -6.779 1.432 1.00 0.00 C ATOM 576 NZ LYS A 35 10.823 -6.463 2.442 1.00 0.00 N ATOM 0 H LYS A 35 7.257 -5.148 0.163 1.00 0.00 H new ATOM 0 HA LYS A 35 7.860 -7.604 -1.167 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.193 -5.539 -1.243 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.552 -5.698 0.464 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.258 -7.918 -1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.296 -6.516 -1.311 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.591 -8.479 0.915 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.112 -8.410 0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.714 -7.175 1.913 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.115 -5.867 0.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.863 -5.448 2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.877 -6.701 2.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.015 -7.014 3.303 1.00 0.00 H new ATOM 590 N ASP A 36 7.932 -7.799 2.125 1.00 0.00 N ATOM 591 CA ASP A 36 7.920 -8.802 3.205 1.00 0.00 C ATOM 592 C ASP A 36 6.691 -9.730 3.302 1.00 0.00 C ATOM 593 O ASP A 36 6.828 -10.941 3.469 1.00 0.00 O ATOM 594 CB ASP A 36 8.155 -8.093 4.570 1.00 0.00 C ATOM 595 CG ASP A 36 9.608 -7.697 4.734 1.00 0.00 C ATOM 596 OD1 ASP A 36 10.495 -8.513 4.490 1.00 0.00 O ATOM 597 OD2 ASP A 36 9.881 -6.533 4.996 1.00 0.00 O ATOM 0 H ASP A 36 7.812 -6.838 2.444 1.00 0.00 H new ATOM 0 HA ASP A 36 8.730 -9.482 2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.523 -7.207 4.637 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.861 -8.756 5.384 1.00 0.00 H new ATOM 602 N ASP A 37 5.467 -9.204 3.214 1.00 0.00 N ATOM 603 CA ASP A 37 4.202 -9.927 3.320 1.00 0.00 C ATOM 604 C ASP A 37 3.674 -10.707 2.113 1.00 0.00 C ATOM 605 O ASP A 37 3.835 -10.309 0.959 1.00 0.00 O ATOM 606 CB ASP A 37 3.102 -8.952 3.751 1.00 0.00 C ATOM 607 CG ASP A 37 1.715 -9.591 3.838 1.00 0.00 C ATOM 608 OD1 ASP A 37 1.369 -10.260 4.812 1.00 0.00 O ATOM 609 OD2 ASP A 37 0.971 -9.438 2.875 1.00 0.00 O ATOM 0 H ASP A 37 5.327 -8.206 3.058 1.00 0.00 H new ATOM 0 HA ASP A 37 4.448 -10.704 4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.361 -8.532 4.723 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.067 -8.122 3.045 1.00 0.00 H new ATOM 614 N PRO A 38 3.068 -11.876 2.376 1.00 0.00 N ATOM 615 CA PRO A 38 2.452 -12.678 1.333 1.00 0.00 C ATOM 616 C PRO A 38 1.005 -12.222 1.094 1.00 0.00 C ATOM 617 O PRO A 38 0.706 -11.609 0.068 1.00 0.00 O ATOM 618 CB PRO A 38 2.577 -14.117 1.858 1.00 0.00 C ATOM 619 CG PRO A 38 2.532 -13.954 3.370 1.00 0.00 C ATOM 620 CD PRO A 38 3.275 -12.641 3.606 1.00 0.00 C ATOM 0 HA PRO A 38 2.924 -12.584 0.355 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.763 -14.747 1.499 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.507 -14.583 1.533 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.507 -13.908 3.739 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.017 -14.787 3.879 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.880 -12.112 4.473 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.335 -12.813 3.793 1.00 0.00 H new ATOM 628 N SER A 39 0.081 -12.552 2.004 1.00 0.00 N ATOM 629 CA SER A 39 -1.349 -12.238 1.906 1.00 0.00 C ATOM 630 C SER A 39 -1.955 -11.077 2.713 1.00 0.00 C ATOM 631 O SER A 39 -3.045 -10.631 2.337 1.00 0.00 O ATOM 632 CB SER A 39 -2.129 -13.519 2.241 1.00 0.00 C ATOM 633 OG SER A 39 -1.806 -14.551 1.305 1.00 0.00 O ATOM 0 H SER A 39 0.316 -13.061 2.856 1.00 0.00 H new ATOM 0 HA SER A 39 -1.441 -11.868 0.885 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.888 -13.846 3.252 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.200 -13.318 2.217 1.00 0.00 H new ATOM 0 HG SER A 39 -2.307 -15.363 1.528 1.00 0.00 H new ATOM 639 N GLN A 40 -1.401 -10.492 3.786 1.00 0.00 N ATOM 640 CA GLN A 40 -2.093 -9.428 4.527 1.00 0.00 C ATOM 641 C GLN A 40 -2.189 -8.105 3.780 1.00 0.00 C ATOM 642 O GLN A 40 -2.882 -7.176 4.195 1.00 0.00 O ATOM 643 CB GLN A 40 -1.420 -9.206 5.894 1.00 0.00 C ATOM 644 CG GLN A 40 -1.479 -10.479 6.773 1.00 0.00 C ATOM 645 CD GLN A 40 -0.554 -10.361 7.967 1.00 0.00 C ATOM 646 OE1 GLN A 40 -0.958 -10.232 9.118 1.00 0.00 O ATOM 647 NE2 GLN A 40 0.734 -10.412 7.688 1.00 0.00 N ATOM 0 H GLN A 40 -0.483 -10.736 4.157 1.00 0.00 H new ATOM 0 HA GLN A 40 -3.117 -9.779 4.657 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.380 -8.914 5.745 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.911 -8.382 6.412 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.501 -10.641 7.116 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.201 -11.349 6.178 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.043 -10.520 6.722 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.421 -10.344 8.438 1.00 0.00 H new ATOM 656 N SER A 41 -1.467 -8.034 2.663 1.00 0.00 N ATOM 657 CA SER A 41 -1.424 -6.897 1.748 1.00 0.00 C ATOM 658 C SER A 41 -2.780 -6.293 1.443 1.00 0.00 C ATOM 659 O SER A 41 -2.870 -5.104 1.158 1.00 0.00 O ATOM 660 CB SER A 41 -0.716 -7.321 0.452 1.00 0.00 C ATOM 661 OG SER A 41 0.651 -7.619 0.726 1.00 0.00 O ATOM 0 H SER A 41 -0.870 -8.803 2.358 1.00 0.00 H new ATOM 0 HA SER A 41 -0.866 -6.107 2.251 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.210 -8.194 0.025 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.783 -6.523 -0.288 1.00 0.00 H new ATOM 0 HG SER A 41 0.703 -8.285 1.443 1.00 0.00 H new ATOM 667 N ALA A 42 -3.853 -7.082 1.482 1.00 0.00 N ATOM 668 CA ALA A 42 -5.182 -6.534 1.255 1.00 0.00 C ATOM 669 C ALA A 42 -5.495 -5.482 2.329 1.00 0.00 C ATOM 670 O ALA A 42 -5.967 -4.363 2.090 1.00 0.00 O ATOM 671 CB ALA A 42 -6.190 -7.693 1.303 1.00 0.00 C ATOM 0 H ALA A 42 -3.827 -8.085 1.666 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.241 -6.045 0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.196 -7.308 1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.946 -8.420 0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.144 -8.175 2.280 1.00 0.00 H new ATOM 677 N ASN A 43 -5.157 -5.862 3.563 1.00 0.00 N ATOM 678 CA ASN A 43 -5.372 -5.009 4.717 1.00 0.00 C ATOM 679 C ASN A 43 -4.352 -3.891 4.580 1.00 0.00 C ATOM 680 O ASN A 43 -4.731 -2.730 4.604 1.00 0.00 O ATOM 681 CB ASN A 43 -5.207 -5.790 6.047 1.00 0.00 C ATOM 682 CG ASN A 43 -5.569 -4.957 7.275 1.00 0.00 C ATOM 683 OD1 ASN A 43 -5.650 -3.641 7.198 1.00 0.00 O flip ATOM 684 ND2 ASN A 43 -5.782 -5.500 8.350 1.00 0.00 N flip ATOM 0 H ASN A 43 -4.731 -6.763 3.782 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.389 -4.618 4.748 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.836 -6.680 6.020 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.176 -6.131 6.137 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.724 -6.515 8.429 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.018 -4.938 9.168 1.00 0.00 H new ATOM 691 N LEU A 44 -3.069 -4.207 4.407 1.00 0.00 N ATOM 692 CA LEU A 44 -2.048 -3.171 4.216 1.00 0.00 C ATOM 693 C LEU A 44 -2.369 -2.151 3.120 1.00 0.00 C ATOM 694 O LEU A 44 -2.011 -0.975 3.153 1.00 0.00 O ATOM 695 CB LEU A 44 -0.660 -3.792 3.937 1.00 0.00 C ATOM 696 CG LEU A 44 -0.341 -5.185 4.491 1.00 0.00 C ATOM 697 CD1 LEU A 44 1.031 -5.638 3.978 1.00 0.00 C ATOM 698 CD2 LEU A 44 -0.313 -5.174 6.019 1.00 0.00 C ATOM 0 H LEU A 44 -2.712 -5.162 4.395 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.038 -2.627 5.160 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.529 -3.831 2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.091 -3.104 4.325 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.119 -5.870 4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.258 -6.629 4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.018 -5.675 2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.794 -4.933 4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.085 -6.175 6.386 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.451 -4.478 6.364 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.286 -4.862 6.398 1.00 0.00 H new ATOM 710 N LEU A 45 -3.112 -2.607 2.129 1.00 0.00 N ATOM 711 CA LEU A 45 -3.491 -1.822 0.964 1.00 0.00 C ATOM 712 C LEU A 45 -4.557 -0.847 1.398 1.00 0.00 C ATOM 713 O LEU A 45 -4.496 0.358 1.153 1.00 0.00 O ATOM 714 CB LEU A 45 -3.973 -2.733 -0.171 1.00 0.00 C ATOM 715 CG LEU A 45 -4.424 -1.963 -1.420 1.00 0.00 C ATOM 716 CD1 LEU A 45 -3.255 -1.145 -1.969 1.00 0.00 C ATOM 717 CD2 LEU A 45 -4.947 -2.932 -2.483 1.00 0.00 C ATOM 0 H LEU A 45 -3.479 -3.558 2.109 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.635 -1.273 0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.169 -3.416 -0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.801 -3.343 0.189 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.234 -1.286 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.578 -0.599 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.918 -0.438 -1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.435 -1.813 -2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.263 -2.371 -3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.156 -3.628 -2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.795 -3.488 -2.083 1.00 0.00 H new ATOM 729 N ALA A 46 -5.567 -1.413 2.063 1.00 0.00 N ATOM 730 CA ALA A 46 -6.628 -0.581 2.594 1.00 0.00 C ATOM 731 C ALA A 46 -5.983 0.454 3.515 1.00 0.00 C ATOM 732 O ALA A 46 -6.358 1.626 3.524 1.00 0.00 O ATOM 733 CB ALA A 46 -7.640 -1.455 3.347 1.00 0.00 C ATOM 0 H ALA A 46 -5.665 -2.413 2.239 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.170 -0.070 1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.437 -0.827 3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.065 -2.191 2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.138 -1.968 4.167 1.00 0.00 H new ATOM 739 N GLU A 47 -4.955 0.028 4.262 1.00 0.00 N ATOM 740 CA GLU A 47 -4.301 0.959 5.190 1.00 0.00 C ATOM 741 C GLU A 47 -3.643 2.110 4.436 1.00 0.00 C ATOM 742 O GLU A 47 -3.872 3.289 4.719 1.00 0.00 O ATOM 743 CB GLU A 47 -3.297 0.258 6.136 1.00 0.00 C ATOM 744 CG GLU A 47 -3.947 -0.779 7.106 1.00 0.00 C ATOM 745 CD GLU A 47 -5.095 -0.248 7.965 1.00 0.00 C ATOM 746 OE1 GLU A 47 -5.230 0.964 8.135 1.00 0.00 O ATOM 747 OE2 GLU A 47 -5.857 -1.074 8.469 1.00 0.00 O ATOM 0 H GLU A 47 -4.571 -0.917 4.246 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.085 1.370 5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.541 -0.248 5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.781 1.016 6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.315 -1.619 6.518 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.172 -1.168 7.767 1.00 0.00 H new ATOM 754 N ALA A 48 -2.809 1.782 3.447 1.00 0.00 N ATOM 755 CA ALA A 48 -2.152 2.782 2.602 1.00 0.00 C ATOM 756 C ALA A 48 -3.171 3.731 1.963 1.00 0.00 C ATOM 757 O ALA A 48 -2.964 4.940 1.844 1.00 0.00 O ATOM 758 CB ALA A 48 -1.358 2.030 1.512 1.00 0.00 C ATOM 0 H ALA A 48 -2.570 0.819 3.210 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.485 3.394 3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.856 2.750 0.865 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.615 1.386 1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.041 1.423 0.918 1.00 0.00 H new ATOM 764 N LYS A 49 -4.300 3.177 1.515 1.00 0.00 N ATOM 765 CA LYS A 49 -5.370 3.971 0.942 1.00 0.00 C ATOM 766 C LYS A 49 -5.956 4.919 1.992 1.00 0.00 C ATOM 767 O LYS A 49 -6.234 6.080 1.689 1.00 0.00 O ATOM 768 CB LYS A 49 -6.445 3.029 0.391 1.00 0.00 C ATOM 769 CG LYS A 49 -7.638 3.783 -0.254 1.00 0.00 C ATOM 770 CD LYS A 49 -7.283 4.669 -1.472 1.00 0.00 C ATOM 771 CE LYS A 49 -7.225 3.909 -2.805 1.00 0.00 C ATOM 772 NZ LYS A 49 -6.329 2.774 -2.714 1.00 0.00 N ATOM 0 H LYS A 49 -4.490 2.175 1.542 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.979 4.583 0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.996 2.368 -0.351 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.815 2.397 1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.384 3.051 -0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.104 4.410 0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.020 5.468 -1.553 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.318 5.143 -1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.224 3.568 -3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.890 4.580 -3.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.757 2.713 -3.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.701 2.892 -1.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.884 1.902 -2.603 1.00 0.00 H new ATOM 786 N LYS A 50 -6.151 4.463 3.236 1.00 0.00 N ATOM 787 CA LYS A 50 -6.660 5.317 4.304 1.00 0.00 C ATOM 788 C LYS A 50 -5.674 6.449 4.534 1.00 0.00 C ATOM 789 O LYS A 50 -6.043 7.600 4.764 1.00 0.00 O ATOM 790 CB LYS A 50 -6.893 4.522 5.612 1.00 0.00 C ATOM 791 CG LYS A 50 -8.040 3.493 5.523 1.00 0.00 C ATOM 792 CD LYS A 50 -9.358 4.072 4.976 1.00 0.00 C ATOM 793 CE LYS A 50 -9.912 5.207 5.848 1.00 0.00 C ATOM 794 NZ LYS A 50 -11.074 5.782 5.192 1.00 0.00 N ATOM 0 H LYS A 50 -5.962 3.503 3.523 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.627 5.720 4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.972 4.003 5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.109 5.223 6.418 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.725 2.667 4.885 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.221 3.079 6.515 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.195 4.443 3.964 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.100 3.276 4.908 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.185 4.827 6.832 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.150 5.971 6.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.762 6.087 5.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.781 6.602 4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.511 5.070 4.573 1.00 0.00 H new ATOM 808 N LEU A 51 -4.387 6.116 4.460 1.00 0.00 N ATOM 809 CA LEU A 51 -3.355 7.129 4.608 1.00 0.00 C ATOM 810 C LEU A 51 -3.464 8.169 3.494 1.00 0.00 C ATOM 811 O LEU A 51 -3.403 9.376 3.718 1.00 0.00 O ATOM 812 CB LEU A 51 -1.953 6.499 4.660 1.00 0.00 C ATOM 813 CG LEU A 51 -1.717 5.688 5.946 1.00 0.00 C ATOM 814 CD1 LEU A 51 -0.283 5.180 5.959 1.00 0.00 C ATOM 815 CD2 LEU A 51 -1.927 6.532 7.211 1.00 0.00 C ATOM 0 H LEU A 51 -4.042 5.169 4.301 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.511 7.637 5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.818 5.849 3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.202 7.286 4.588 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.436 4.869 5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.109 4.604 6.868 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.114 4.545 5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.403 6.026 5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.749 5.916 8.093 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.231 7.371 7.208 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.950 6.908 7.232 1.00 0.00 H new ATOM 827 N ASN A 52 -3.637 7.741 2.242 1.00 0.00 N ATOM 828 CA ASN A 52 -3.803 8.672 1.128 1.00 0.00 C ATOM 829 C ASN A 52 -5.025 9.572 1.352 1.00 0.00 C ATOM 830 O ASN A 52 -4.982 10.793 1.253 1.00 0.00 O ATOM 831 CB ASN A 52 -3.895 7.864 -0.184 1.00 0.00 C ATOM 832 CG ASN A 52 -4.069 8.726 -1.431 1.00 0.00 C ATOM 833 OD1 ASN A 52 -3.201 8.815 -2.292 1.00 0.00 O ATOM 834 ND2 ASN A 52 -5.195 9.378 -1.635 1.00 0.00 N ATOM 0 H ASN A 52 -3.666 6.757 1.976 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.942 9.337 1.060 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.992 7.263 -0.293 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.733 7.171 -0.114 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.318 9.930 -2.484 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.944 9.331 -0.944 1.00 0.00 H new ATOM 841 N ASP A 53 -6.135 8.918 1.680 1.00 0.00 N ATOM 842 CA ASP A 53 -7.419 9.547 1.990 1.00 0.00 C ATOM 843 C ASP A 53 -7.267 10.617 3.075 1.00 0.00 C ATOM 844 O ASP A 53 -7.841 11.703 2.995 1.00 0.00 O ATOM 845 CB ASP A 53 -8.374 8.396 2.400 1.00 0.00 C ATOM 846 CG ASP A 53 -9.759 8.826 2.859 1.00 0.00 C ATOM 847 OD1 ASP A 53 -10.260 9.877 2.445 1.00 0.00 O ATOM 848 OD2 ASP A 53 -10.337 8.060 3.631 1.00 0.00 O ATOM 0 H ASP A 53 -6.169 7.900 1.740 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.826 10.081 1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.485 7.720 1.552 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.905 7.827 3.202 1.00 0.00 H new ATOM 853 N ALA A 54 -6.484 10.315 4.116 1.00 0.00 N ATOM 854 CA ALA A 54 -6.199 11.255 5.190 1.00 0.00 C ATOM 855 C ALA A 54 -5.490 12.508 4.673 1.00 0.00 C ATOM 856 O ALA A 54 -5.645 13.596 5.221 1.00 0.00 O ATOM 857 CB ALA A 54 -5.335 10.528 6.233 1.00 0.00 C ATOM 0 H ALA A 54 -6.032 9.408 4.232 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.134 11.593 5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.104 11.209 7.053 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.879 9.666 6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.408 10.193 5.768 1.00 0.00 H new ATOM 863 N GLN A 55 -4.699 12.372 3.606 1.00 0.00 N ATOM 864 CA GLN A 55 -4.019 13.512 3.004 1.00 0.00 C ATOM 865 C GLN A 55 -4.930 14.283 2.049 1.00 0.00 C ATOM 866 O GLN A 55 -4.862 15.499 1.895 1.00 0.00 O ATOM 867 CB GLN A 55 -2.773 13.021 2.293 1.00 0.00 C ATOM 868 CG GLN A 55 -1.794 12.306 3.250 1.00 0.00 C ATOM 869 CD GLN A 55 -0.793 11.505 2.448 1.00 0.00 C ATOM 870 OE1 GLN A 55 -1.074 10.237 2.247 1.00 0.00 O flip ATOM 871 NE2 GLN A 55 0.239 11.979 1.999 1.00 0.00 N flip ATOM 0 H GLN A 55 -4.516 11.481 3.144 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.740 14.210 3.793 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.059 12.338 1.493 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.268 13.866 1.825 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.276 13.038 3.870 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.344 11.649 3.924 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.458 12.963 2.154 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.882 11.391 1.469 1.00 0.00 H new ATOM 880 N ALA A 56 -5.799 13.531 1.378 1.00 0.00 N ATOM 881 CA ALA A 56 -6.784 14.075 0.455 1.00 0.00 C ATOM 882 C ALA A 56 -7.878 14.910 1.150 1.00 0.00 C ATOM 883 O ALA A 56 -8.365 14.522 2.217 1.00 0.00 O ATOM 884 CB ALA A 56 -7.393 12.885 -0.306 1.00 0.00 C ATOM 0 H ALA A 56 -5.837 12.515 1.463 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.291 14.771 -0.223 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.140 13.248 -1.012 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.607 12.359 -0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.864 12.203 0.402 1.00 0.00 H new ATOM 890 N PRO A 57 -8.297 16.063 0.593 1.00 0.00 N ATOM 891 CA PRO A 57 -9.344 16.942 1.143 1.00 0.00 C ATOM 892 C PRO A 57 -10.643 16.297 1.650 1.00 0.00 C ATOM 893 O PRO A 57 -10.956 15.125 1.410 1.00 0.00 O ATOM 894 CB PRO A 57 -9.604 17.931 0.004 1.00 0.00 C ATOM 895 CG PRO A 57 -8.216 18.095 -0.581 1.00 0.00 C ATOM 896 CD PRO A 57 -7.699 16.655 -0.605 1.00 0.00 C ATOM 0 HA PRO A 57 -8.984 17.380 2.074 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.312 17.538 -0.726 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -10.010 18.875 0.366 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.245 18.533 -1.579 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.590 18.742 0.034 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -8.008 16.132 -1.510 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.610 16.618 -0.572 1.00 0.00 H new ATOM 904 N LYS A 58 -11.413 17.114 2.373 1.00 0.00 N ATOM 905 CA LYS A 58 -12.667 16.708 2.994 1.00 0.00 C ATOM 906 C LYS A 58 -13.647 17.887 3.033 1.00 0.00 C ATOM 907 O LYS A 58 -13.231 19.008 3.336 1.00 0.00 O ATOM 908 CB LYS A 58 -12.380 16.227 4.440 1.00 0.00 C ATOM 909 CG LYS A 58 -11.422 15.016 4.548 1.00 0.00 C ATOM 910 CD LYS A 58 -12.074 13.726 4.015 1.00 0.00 C ATOM 911 CE LYS A 58 -11.086 12.552 3.937 1.00 0.00 C ATOM 912 NZ LYS A 58 -10.161 12.745 2.832 1.00 0.00 N ATOM 913 OXT LYS A 58 -14.829 17.688 2.756 1.00 0.00 O ATOM 0 H LYS A 58 -11.175 18.091 2.543 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.112 15.901 2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.957 17.057 5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.326 15.966 4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.510 15.222 3.987 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.131 14.874 5.589 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.908 13.452 4.661 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.487 13.915 3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.533 12.470 4.873 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.631 11.617 3.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.600 11.880 2.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.695 12.953 1.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.525 13.540 3.046 1.00 0.00 H new TER 927 LYS A 58