USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 760 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 NoAdj : A 60 ASNHD21 : A 60 ASN OD1 : A 182 CACA :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 182 CACA :(metal ligand) USER MOD Set 1.1: A 36 MET CE :methyl -175:sc= -1.83 (180deg=-2.18) USER MOD Set 1.2: A 51 MET CE :methyl -107:sc= -2.77 (180deg=-4.61!) USER MOD Set 2.1: A 1 ALA N :NH3+ -173:sc= 0.187 (180deg=0) USER MOD Set 2.2: A 3 GLN : amide:sc= -2.13! C(o=-1.9!,f=-8.2!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 8 GLN : amide:sc= 1.15 K(o=1.1,f=-0.11) USER MOD Single : A 13 LYS NZ :NH3+ 170:sc= 1.09 (180deg=0.795) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -126:sc= 1.84 (180deg=0.0502) USER MOD Single : A 26 THR OG1 : rot 7:sc= 1.07 USER MOD Single : A 28 THR OG1 : rot 97:sc= 0.691 USER MOD Single : A 29 THR OG1 : rot -79:sc= 0.144 USER MOD Single : A 30 LYS NZ :NH3+ -125:sc= 1.24 (180deg=0.857) USER MOD Single : A 34 THR OG1 : rot -96:sc= -0.0279 USER MOD Single : A 38 SER OG : rot 76:sc= 0.136 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -1.47 K(o=-1.5,f=-5.5!) USER MOD Single : A 44 THR OG1 : rot -72:sc= 1.16 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -138:sc= -3.7! (180deg=-6.35!) USER MOD Single : A 72 MET CE :methyl -155:sc= -0.388 (180deg=-1.37) USER MOD Single : A 75 LYS NZ :NH3+ 137:sc= 1.22 (180deg=0.012!) USER MOD Single : A 76 MET CE :methyl 168:sc=-0.00883 (180deg=-0.2) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0991 USER MOD Single : B 290 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : B 294 SER OG : rot 180:sc= 0 USER MOD Single : B 297 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 299 LYS NZ :NH3+ 151:sc= -0.431 (180deg=-2.51!) USER MOD Single : B 301 SER OG : rot 69:sc= 0.46 USER MOD Single : B 302 LYS NZ :NH3+ -160:sc= 1.73 (180deg=1.18) USER MOD Single : B 303 LYS NZ :NH3+ -122:sc= 2.25 (180deg=-1.2) USER MOD Single : B 304 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : B 305 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 21.939 -16.423 -1.098 1.00 2.58 N ATOM 2 CA ALA A 1 22.756 -15.426 -1.816 1.00 2.36 C ATOM 3 C ALA A 1 21.921 -14.182 -2.105 1.00 2.09 C ATOM 4 O ALA A 1 20.898 -13.957 -1.459 1.00 2.15 O ATOM 5 CB ALA A 1 23.313 -16.014 -3.107 1.00 2.57 C ATOM 0 H1 ALA A 1 22.542 -17.216 -0.800 1.00 2.58 H new ATOM 0 H2 ALA A 1 21.509 -15.981 -0.260 1.00 2.58 H new ATOM 0 H3 ALA A 1 21.189 -16.775 -1.727 1.00 2.58 H new ATOM 0 HA ALA A 1 23.599 -15.144 -1.186 1.00 2.36 H new ATOM 0 HB1 ALA A 1 23.912 -15.262 -3.620 1.00 2.57 H new ATOM 0 HB2 ALA A 1 23.936 -16.878 -2.874 1.00 2.57 H new ATOM 0 HB3 ALA A 1 22.490 -16.323 -3.751 1.00 2.57 H new ATOM 13 N ASP A 2 22.348 -13.389 -3.079 1.00 1.93 N ATOM 14 CA ASP A 2 21.645 -12.157 -3.439 1.00 1.85 C ATOM 15 C ASP A 2 20.392 -12.430 -4.281 1.00 1.77 C ATOM 16 O ASP A 2 19.579 -11.534 -4.491 1.00 2.06 O ATOM 17 CB ASP A 2 22.588 -11.212 -4.200 1.00 2.06 C ATOM 18 CG ASP A 2 22.819 -11.637 -5.638 1.00 2.70 C ATOM 19 OD1 ASP A 2 23.627 -12.562 -5.860 1.00 3.47 O ATOM 20 OD2 ASP A 2 22.205 -11.046 -6.553 1.00 2.98 O ATOM 0 H ASP A 2 23.181 -13.575 -3.638 1.00 1.93 H new ATOM 0 HA ASP A 2 21.322 -11.686 -2.510 1.00 1.85 H new ATOM 0 HB2 ASP A 2 22.172 -10.205 -4.187 1.00 2.06 H new ATOM 0 HB3 ASP A 2 23.546 -11.168 -3.681 1.00 2.06 H new ATOM 25 N GLN A 3 20.227 -13.654 -4.763 1.00 1.60 N ATOM 26 CA GLN A 3 19.060 -13.980 -5.575 1.00 1.62 C ATOM 27 C GLN A 3 17.827 -14.203 -4.705 1.00 1.52 C ATOM 28 O GLN A 3 16.820 -13.506 -4.842 1.00 1.55 O ATOM 29 CB GLN A 3 19.306 -15.206 -6.469 1.00 1.75 C ATOM 30 CG GLN A 3 20.484 -16.076 -6.049 1.00 2.06 C ATOM 31 CD GLN A 3 20.172 -16.978 -4.866 1.00 2.43 C ATOM 32 OE1 GLN A 3 20.344 -16.590 -3.712 1.00 2.68 O ATOM 33 NE2 GLN A 3 19.709 -18.182 -5.144 1.00 2.95 N ATOM 0 H GLN A 3 20.874 -14.427 -4.610 1.00 1.60 H new ATOM 0 HA GLN A 3 18.879 -13.123 -6.224 1.00 1.62 H new ATOM 0 HB2 GLN A 3 18.405 -15.819 -6.478 1.00 1.75 H new ATOM 0 HB3 GLN A 3 19.470 -14.866 -7.491 1.00 1.75 H new ATOM 0 HG2 GLN A 3 20.793 -16.691 -6.895 1.00 2.06 H new ATOM 0 HG3 GLN A 3 21.328 -15.435 -5.796 1.00 2.06 H new ATOM 0 HE21 GLN A 3 19.580 -18.467 -6.115 1.00 2.95 H new ATOM 0 HE22 GLN A 3 19.480 -18.827 -4.388 1.00 2.95 H new ATOM 42 N LEU A 4 17.904 -15.173 -3.812 1.00 1.47 N ATOM 43 CA LEU A 4 16.790 -15.467 -2.927 1.00 1.42 C ATOM 44 C LEU A 4 16.856 -14.580 -1.691 1.00 1.35 C ATOM 45 O LEU A 4 17.315 -15.003 -0.628 1.00 1.37 O ATOM 46 CB LEU A 4 16.784 -16.945 -2.521 1.00 1.54 C ATOM 47 CG LEU A 4 16.591 -17.941 -3.668 1.00 1.78 C ATOM 48 CD1 LEU A 4 16.724 -19.370 -3.171 1.00 1.97 C ATOM 49 CD2 LEU A 4 15.240 -17.742 -4.335 1.00 1.88 C ATOM 0 H LEU A 4 18.722 -15.768 -3.680 1.00 1.47 H new ATOM 0 HA LEU A 4 15.864 -15.261 -3.464 1.00 1.42 H new ATOM 0 HB2 LEU A 4 17.726 -17.171 -2.021 1.00 1.54 H new ATOM 0 HB3 LEU A 4 15.990 -17.100 -1.790 1.00 1.54 H new ATOM 0 HG LEU A 4 17.372 -17.756 -4.405 1.00 1.78 H new ATOM 0 HD11 LEU A 4 16.583 -20.059 -4.003 1.00 1.97 H new ATOM 0 HD12 LEU A 4 17.716 -19.516 -2.743 1.00 1.97 H new ATOM 0 HD13 LEU A 4 15.969 -19.562 -2.409 1.00 1.97 H new ATOM 0 HD21 LEU A 4 15.126 -18.461 -5.147 1.00 1.88 H new ATOM 0 HD22 LEU A 4 14.447 -17.892 -3.603 1.00 1.88 H new ATOM 0 HD23 LEU A 4 15.177 -16.730 -4.735 1.00 1.88 H new ATOM 61 N THR A 5 16.423 -13.345 -1.858 1.00 1.33 N ATOM 62 CA THR A 5 16.424 -12.372 -0.784 1.00 1.31 C ATOM 63 C THR A 5 15.139 -12.464 0.030 1.00 1.19 C ATOM 64 O THR A 5 15.146 -12.945 1.166 1.00 1.18 O ATOM 65 CB THR A 5 16.574 -10.951 -1.353 1.00 1.42 C ATOM 66 OG1 THR A 5 15.833 -10.844 -2.581 1.00 1.68 O ATOM 67 CG2 THR A 5 18.037 -10.609 -1.606 1.00 1.63 C ATOM 0 H THR A 5 16.061 -12.989 -2.742 1.00 1.33 H new ATOM 0 HA THR A 5 17.269 -12.590 -0.131 1.00 1.31 H new ATOM 0 HB THR A 5 16.182 -10.246 -0.620 1.00 1.42 H new ATOM 0 HG1 THR A 5 15.928 -9.938 -2.942 1.00 1.68 H new ATOM 0 HG21 THR A 5 18.110 -9.598 -2.008 1.00 1.63 H new ATOM 0 HG22 THR A 5 18.592 -10.668 -0.670 1.00 1.63 H new ATOM 0 HG23 THR A 5 18.457 -11.315 -2.322 1.00 1.63 H new ATOM 75 N GLU A 6 14.045 -11.995 -0.566 1.00 1.16 N ATOM 76 CA GLU A 6 12.729 -12.026 0.067 1.00 1.10 C ATOM 77 C GLU A 6 12.769 -11.401 1.458 1.00 1.10 C ATOM 78 O GLU A 6 12.402 -12.034 2.451 1.00 1.15 O ATOM 79 CB GLU A 6 12.210 -13.465 0.144 1.00 1.08 C ATOM 80 CG GLU A 6 11.530 -13.947 -1.128 1.00 1.08 C ATOM 81 CD GLU A 6 10.174 -13.312 -1.339 1.00 1.03 C ATOM 82 OE1 GLU A 6 9.410 -13.185 -0.357 1.00 1.44 O ATOM 83 OE2 GLU A 6 9.854 -12.946 -2.488 1.00 1.31 O ATOM 0 H GLU A 6 14.046 -11.584 -1.499 1.00 1.16 H new ATOM 0 HA GLU A 6 12.047 -11.437 -0.546 1.00 1.10 H new ATOM 0 HB2 GLU A 6 13.044 -14.129 0.372 1.00 1.08 H new ATOM 0 HB3 GLU A 6 11.505 -13.542 0.972 1.00 1.08 H new ATOM 0 HG2 GLU A 6 12.168 -13.725 -1.983 1.00 1.08 H new ATOM 0 HG3 GLU A 6 11.417 -15.030 -1.087 1.00 1.08 H new ATOM 90 N GLU A 7 13.216 -10.160 1.531 1.00 1.09 N ATOM 91 CA GLU A 7 13.295 -9.462 2.805 1.00 1.13 C ATOM 92 C GLU A 7 12.301 -8.304 2.813 1.00 1.08 C ATOM 93 O GLU A 7 11.127 -8.497 3.129 1.00 1.13 O ATOM 94 CB GLU A 7 14.721 -8.975 3.096 1.00 1.25 C ATOM 95 CG GLU A 7 15.644 -8.972 1.881 1.00 1.28 C ATOM 96 CD GLU A 7 15.225 -7.962 0.839 1.00 1.24 C ATOM 97 OE1 GLU A 7 15.521 -6.765 1.025 1.00 1.35 O ATOM 98 OE2 GLU A 7 14.575 -8.360 -0.147 1.00 1.16 O ATOM 0 H GLU A 7 13.529 -9.615 0.728 1.00 1.09 H new ATOM 0 HA GLU A 7 13.034 -10.159 3.601 1.00 1.13 H new ATOM 0 HB2 GLU A 7 14.671 -7.965 3.502 1.00 1.25 H new ATOM 0 HB3 GLU A 7 15.158 -9.608 3.868 1.00 1.25 H new ATOM 0 HG2 GLU A 7 16.663 -8.756 2.203 1.00 1.28 H new ATOM 0 HG3 GLU A 7 15.655 -9.966 1.435 1.00 1.28 H new ATOM 105 N GLN A 8 12.766 -7.106 2.462 1.00 1.08 N ATOM 106 CA GLN A 8 11.900 -5.934 2.401 1.00 1.06 C ATOM 107 C GLN A 8 10.773 -6.162 1.391 1.00 0.96 C ATOM 108 O GLN A 8 9.664 -5.662 1.564 1.00 0.95 O ATOM 109 CB GLN A 8 12.711 -4.691 2.022 1.00 1.17 C ATOM 110 CG GLN A 8 13.929 -4.468 2.901 1.00 1.31 C ATOM 111 CD GLN A 8 14.951 -3.550 2.262 1.00 1.48 C ATOM 112 OE1 GLN A 8 14.952 -2.338 2.497 1.00 1.56 O ATOM 113 NE2 GLN A 8 15.824 -4.118 1.447 1.00 1.61 N ATOM 0 H GLN A 8 13.739 -6.923 2.216 1.00 1.08 H new ATOM 0 HA GLN A 8 11.460 -5.774 3.385 1.00 1.06 H new ATOM 0 HB2 GLN A 8 13.034 -4.780 0.985 1.00 1.17 H new ATOM 0 HB3 GLN A 8 12.066 -3.815 2.081 1.00 1.17 H new ATOM 0 HG2 GLN A 8 13.612 -4.044 3.854 1.00 1.31 H new ATOM 0 HG3 GLN A 8 14.396 -5.429 3.119 1.00 1.31 H new ATOM 0 HE21 GLN A 8 15.787 -5.124 1.281 1.00 1.61 H new ATOM 0 HE22 GLN A 8 16.534 -3.550 0.984 1.00 1.61 H new ATOM 122 N ILE A 9 11.057 -6.946 0.350 1.00 0.93 N ATOM 123 CA ILE A 9 10.062 -7.256 -0.680 1.00 0.90 C ATOM 124 C ILE A 9 8.845 -7.956 -0.075 1.00 0.82 C ATOM 125 O ILE A 9 7.706 -7.719 -0.486 1.00 0.80 O ATOM 126 CB ILE A 9 10.654 -8.143 -1.802 1.00 0.96 C ATOM 127 CG1 ILE A 9 12.019 -7.608 -2.247 1.00 1.15 C ATOM 128 CG2 ILE A 9 9.701 -8.201 -2.983 1.00 1.14 C ATOM 129 CD1 ILE A 9 12.655 -8.406 -3.366 1.00 1.23 C ATOM 0 H ILE A 9 11.968 -7.379 0.197 1.00 0.93 H new ATOM 0 HA ILE A 9 9.754 -6.305 -1.114 1.00 0.90 H new ATOM 0 HB ILE A 9 10.790 -9.151 -1.411 1.00 0.96 H new ATOM 0 HG12 ILE A 9 11.905 -6.574 -2.571 1.00 1.15 H new ATOM 0 HG13 ILE A 9 12.693 -7.601 -1.390 1.00 1.15 H new ATOM 0 HG21 ILE A 9 10.129 -8.828 -3.765 1.00 1.14 H new ATOM 0 HG22 ILE A 9 8.748 -8.622 -2.661 1.00 1.14 H new ATOM 0 HG23 ILE A 9 9.541 -7.195 -3.371 1.00 1.14 H new ATOM 0 HD11 ILE A 9 13.618 -7.966 -3.625 1.00 1.23 H new ATOM 0 HD12 ILE A 9 12.803 -9.436 -3.040 1.00 1.23 H new ATOM 0 HD13 ILE A 9 12.003 -8.392 -4.239 1.00 1.23 H new ATOM 141 N ALA A 10 9.086 -8.793 0.926 1.00 0.85 N ATOM 142 CA ALA A 10 8.013 -9.526 1.586 1.00 0.85 C ATOM 143 C ALA A 10 7.141 -8.583 2.404 1.00 0.75 C ATOM 144 O ALA A 10 5.930 -8.775 2.531 1.00 0.79 O ATOM 145 CB ALA A 10 8.577 -10.630 2.467 1.00 0.98 C ATOM 0 H ALA A 10 10.016 -8.981 1.299 1.00 0.85 H new ATOM 0 HA ALA A 10 7.393 -9.986 0.816 1.00 0.85 H new ATOM 0 HB1 ALA A 10 7.759 -11.164 2.950 1.00 0.98 H new ATOM 0 HB2 ALA A 10 9.153 -11.325 1.856 1.00 0.98 H new ATOM 0 HB3 ALA A 10 9.224 -10.194 3.228 1.00 0.98 H new ATOM 151 N GLU A 11 7.756 -7.527 2.922 1.00 0.69 N ATOM 152 CA GLU A 11 7.038 -6.541 3.719 1.00 0.64 C ATOM 153 C GLU A 11 6.166 -5.679 2.811 1.00 0.63 C ATOM 154 O GLU A 11 5.181 -5.076 3.245 1.00 0.64 O ATOM 155 CB GLU A 11 8.018 -5.671 4.511 1.00 0.69 C ATOM 156 CG GLU A 11 7.927 -5.872 6.013 1.00 0.59 C ATOM 157 CD GLU A 11 6.579 -5.470 6.569 1.00 0.65 C ATOM 158 OE1 GLU A 11 6.344 -4.255 6.735 1.00 1.18 O ATOM 159 OE2 GLU A 11 5.741 -6.361 6.831 1.00 0.81 O ATOM 0 H GLU A 11 8.750 -7.332 2.804 1.00 0.69 H new ATOM 0 HA GLU A 11 6.398 -7.061 4.432 1.00 0.64 H new ATOM 0 HB2 GLU A 11 9.034 -5.892 4.184 1.00 0.69 H new ATOM 0 HB3 GLU A 11 7.829 -4.623 4.280 1.00 0.69 H new ATOM 0 HG2 GLU A 11 8.116 -6.919 6.249 1.00 0.59 H new ATOM 0 HG3 GLU A 11 8.707 -5.289 6.503 1.00 0.59 H new ATOM 166 N PHE A 12 6.531 -5.649 1.535 1.00 0.64 N ATOM 167 CA PHE A 12 5.788 -4.898 0.539 1.00 0.67 C ATOM 168 C PHE A 12 4.511 -5.652 0.170 1.00 0.66 C ATOM 169 O PHE A 12 3.466 -5.046 -0.062 1.00 0.68 O ATOM 170 CB PHE A 12 6.646 -4.654 -0.711 1.00 0.75 C ATOM 171 CG PHE A 12 7.826 -3.752 -0.483 1.00 0.76 C ATOM 172 CD1 PHE A 12 7.770 -2.737 0.453 1.00 1.23 C ATOM 173 CD2 PHE A 12 8.995 -3.930 -1.205 1.00 0.98 C ATOM 174 CE1 PHE A 12 8.856 -1.914 0.665 1.00 1.27 C ATOM 175 CE2 PHE A 12 10.085 -3.111 -0.996 1.00 1.03 C ATOM 176 CZ PHE A 12 10.017 -2.103 -0.060 1.00 0.88 C ATOM 0 H PHE A 12 7.345 -6.142 1.167 1.00 0.64 H new ATOM 0 HA PHE A 12 5.521 -3.929 0.960 1.00 0.67 H new ATOM 0 HB2 PHE A 12 7.003 -5.613 -1.085 1.00 0.75 H new ATOM 0 HB3 PHE A 12 6.018 -4.222 -1.490 1.00 0.75 H new ATOM 0 HD1 PHE A 12 6.866 -2.587 1.025 1.00 1.23 H new ATOM 0 HD2 PHE A 12 9.053 -4.719 -1.940 1.00 0.98 H new ATOM 0 HE1 PHE A 12 8.799 -1.122 1.397 1.00 1.27 H new ATOM 0 HE2 PHE A 12 10.990 -3.260 -1.566 1.00 1.03 H new ATOM 0 HZ PHE A 12 10.870 -1.461 0.107 1.00 0.88 H new ATOM 186 N LYS A 13 4.604 -6.983 0.159 1.00 0.65 N ATOM 187 CA LYS A 13 3.466 -7.842 -0.165 1.00 0.66 C ATOM 188 C LYS A 13 2.404 -7.705 0.917 1.00 0.61 C ATOM 189 O LYS A 13 1.207 -7.851 0.666 1.00 0.66 O ATOM 190 CB LYS A 13 3.912 -9.303 -0.274 1.00 0.71 C ATOM 191 CG LYS A 13 5.044 -9.536 -1.263 1.00 0.80 C ATOM 192 CD LYS A 13 5.390 -11.012 -1.355 1.00 0.86 C ATOM 193 CE LYS A 13 6.698 -11.234 -2.095 1.00 0.97 C ATOM 194 NZ LYS A 13 7.203 -12.622 -1.930 1.00 0.99 N ATOM 0 H LYS A 13 5.462 -7.491 0.372 1.00 0.65 H new ATOM 0 HA LYS A 13 3.052 -7.534 -1.125 1.00 0.66 H new ATOM 0 HB2 LYS A 13 4.227 -9.650 0.710 1.00 0.71 H new ATOM 0 HB3 LYS A 13 3.057 -9.912 -0.568 1.00 0.71 H new ATOM 0 HG2 LYS A 13 4.755 -9.164 -2.246 1.00 0.80 H new ATOM 0 HG3 LYS A 13 5.924 -8.971 -0.954 1.00 0.80 H new ATOM 0 HD2 LYS A 13 5.463 -11.433 -0.352 1.00 0.86 H new ATOM 0 HD3 LYS A 13 4.587 -11.543 -1.866 1.00 0.86 H new ATOM 0 HE2 LYS A 13 6.555 -11.024 -3.155 1.00 0.97 H new ATOM 0 HE3 LYS A 13 7.446 -10.530 -1.729 1.00 0.97 H new ATOM 0 HZ1 LYS A 13 7.998 -12.782 -2.581 1.00 0.99 H new ATOM 0 HZ2 LYS A 13 7.524 -12.761 -0.950 1.00 0.99 H new ATOM 0 HZ3 LYS A 13 6.441 -13.296 -2.143 1.00 0.99 H new ATOM 208 N GLU A 14 2.873 -7.400 2.122 1.00 0.57 N ATOM 209 CA GLU A 14 2.001 -7.227 3.270 1.00 0.54 C ATOM 210 C GLU A 14 1.007 -6.107 3.029 1.00 0.50 C ATOM 211 O GLU A 14 -0.147 -6.188 3.439 1.00 0.49 O ATOM 212 CB GLU A 14 2.810 -6.914 4.524 1.00 0.52 C ATOM 213 CG GLU A 14 2.224 -7.538 5.771 1.00 0.54 C ATOM 214 CD GLU A 14 2.153 -9.048 5.676 1.00 0.62 C ATOM 215 OE1 GLU A 14 3.223 -9.693 5.714 1.00 1.29 O ATOM 216 OE2 GLU A 14 1.035 -9.593 5.558 1.00 1.28 O ATOM 0 H GLU A 14 3.863 -7.267 2.326 1.00 0.57 H new ATOM 0 HA GLU A 14 1.461 -8.163 3.414 1.00 0.54 H new ATOM 0 HB2 GLU A 14 3.831 -7.271 4.390 1.00 0.52 H new ATOM 0 HB3 GLU A 14 2.864 -5.833 4.655 1.00 0.52 H new ATOM 0 HG2 GLU A 14 2.828 -7.258 6.634 1.00 0.54 H new ATOM 0 HG3 GLU A 14 1.224 -7.139 5.939 1.00 0.54 H new ATOM 223 N ALA A 15 1.462 -5.065 2.352 1.00 0.51 N ATOM 224 CA ALA A 15 0.612 -3.922 2.072 1.00 0.52 C ATOM 225 C ALA A 15 -0.548 -4.313 1.163 1.00 0.50 C ATOM 226 O ALA A 15 -1.675 -3.890 1.378 1.00 0.51 O ATOM 227 CB ALA A 15 1.424 -2.795 1.457 1.00 0.58 C ATOM 0 H ALA A 15 2.412 -4.988 1.988 1.00 0.51 H new ATOM 0 HA ALA A 15 0.193 -3.570 3.015 1.00 0.52 H new ATOM 0 HB1 ALA A 15 0.772 -1.946 1.253 1.00 0.58 H new ATOM 0 HB2 ALA A 15 2.209 -2.492 2.150 1.00 0.58 H new ATOM 0 HB3 ALA A 15 1.875 -3.138 0.526 1.00 0.58 H new ATOM 233 N PHE A 16 -0.284 -5.167 0.186 1.00 0.50 N ATOM 234 CA PHE A 16 -1.320 -5.597 -0.753 1.00 0.53 C ATOM 235 C PHE A 16 -2.407 -6.415 -0.051 1.00 0.56 C ATOM 236 O PHE A 16 -3.481 -6.639 -0.606 1.00 0.74 O ATOM 237 CB PHE A 16 -0.703 -6.433 -1.882 1.00 0.60 C ATOM 238 CG PHE A 16 0.536 -5.838 -2.490 1.00 0.64 C ATOM 239 CD1 PHE A 16 0.580 -4.505 -2.855 1.00 0.78 C ATOM 240 CD2 PHE A 16 1.652 -6.623 -2.709 1.00 0.87 C ATOM 241 CE1 PHE A 16 1.722 -3.965 -3.418 1.00 0.90 C ATOM 242 CE2 PHE A 16 2.794 -6.093 -3.274 1.00 0.98 C ATOM 243 CZ PHE A 16 2.830 -4.759 -3.629 1.00 0.91 C ATOM 0 H PHE A 16 0.635 -5.578 0.019 1.00 0.50 H new ATOM 0 HA PHE A 16 -1.777 -4.700 -1.170 1.00 0.53 H new ATOM 0 HB2 PHE A 16 -0.463 -7.423 -1.495 1.00 0.60 H new ATOM 0 HB3 PHE A 16 -1.448 -6.569 -2.666 1.00 0.60 H new ATOM 0 HD1 PHE A 16 -0.286 -3.879 -2.699 1.00 0.78 H new ATOM 0 HD2 PHE A 16 1.630 -7.667 -2.434 1.00 0.87 H new ATOM 0 HE1 PHE A 16 1.746 -2.921 -3.693 1.00 0.90 H new ATOM 0 HE2 PHE A 16 3.658 -6.720 -3.438 1.00 0.98 H new ATOM 0 HZ PHE A 16 3.722 -4.339 -4.070 1.00 0.91 H new ATOM 253 N SER A 17 -2.130 -6.853 1.171 1.00 0.49 N ATOM 254 CA SER A 17 -3.087 -7.664 1.913 1.00 0.54 C ATOM 255 C SER A 17 -3.681 -6.917 3.106 1.00 0.51 C ATOM 256 O SER A 17 -4.862 -7.085 3.426 1.00 0.59 O ATOM 257 CB SER A 17 -2.422 -8.962 2.377 1.00 0.62 C ATOM 258 OG SER A 17 -1.904 -9.677 1.268 1.00 0.73 O ATOM 0 H SER A 17 -1.259 -6.662 1.666 1.00 0.49 H new ATOM 0 HA SER A 17 -3.911 -7.896 1.238 1.00 0.54 H new ATOM 0 HB2 SER A 17 -1.619 -8.736 3.079 1.00 0.62 H new ATOM 0 HB3 SER A 17 -3.146 -9.579 2.909 1.00 0.62 H new ATOM 0 HG SER A 17 -1.480 -10.504 1.581 1.00 0.73 H new ATOM 264 N LEU A 18 -2.872 -6.093 3.758 1.00 0.44 N ATOM 265 CA LEU A 18 -3.334 -5.350 4.930 1.00 0.42 C ATOM 266 C LEU A 18 -3.886 -3.967 4.563 1.00 0.41 C ATOM 267 O LEU A 18 -4.687 -3.399 5.306 1.00 0.46 O ATOM 268 CB LEU A 18 -2.197 -5.224 5.958 1.00 0.42 C ATOM 269 CG LEU A 18 -1.624 -6.550 6.474 1.00 0.45 C ATOM 270 CD1 LEU A 18 -0.525 -6.309 7.500 1.00 0.47 C ATOM 271 CD2 LEU A 18 -2.720 -7.412 7.074 1.00 0.55 C ATOM 0 H LEU A 18 -1.900 -5.921 3.501 1.00 0.44 H new ATOM 0 HA LEU A 18 -4.157 -5.913 5.371 1.00 0.42 H new ATOM 0 HB2 LEU A 18 -1.387 -4.648 5.510 1.00 0.42 H new ATOM 0 HB3 LEU A 18 -2.562 -4.650 6.810 1.00 0.42 H new ATOM 0 HG LEU A 18 -1.190 -7.078 5.624 1.00 0.45 H new ATOM 0 HD11 LEU A 18 -0.137 -7.266 7.849 1.00 0.47 H new ATOM 0 HD12 LEU A 18 0.281 -5.736 7.042 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -0.931 -5.753 8.345 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -2.291 -8.347 7.434 1.00 0.55 H new ATOM 0 HD22 LEU A 18 -3.185 -6.883 7.906 1.00 0.55 H new ATOM 0 HD23 LEU A 18 -3.472 -7.626 6.314 1.00 0.55 H new ATOM 283 N PHE A 19 -3.475 -3.432 3.420 1.00 0.43 N ATOM 284 CA PHE A 19 -3.932 -2.115 2.980 1.00 0.47 C ATOM 285 C PHE A 19 -5.175 -2.242 2.108 1.00 0.48 C ATOM 286 O PHE A 19 -6.180 -1.568 2.347 1.00 0.61 O ATOM 287 CB PHE A 19 -2.815 -1.397 2.214 1.00 0.52 C ATOM 288 CG PHE A 19 -3.158 -0.001 1.772 1.00 0.39 C ATOM 289 CD1 PHE A 19 -3.105 1.049 2.667 1.00 0.58 C ATOM 290 CD2 PHE A 19 -3.517 0.259 0.457 1.00 0.50 C ATOM 291 CE1 PHE A 19 -3.405 2.335 2.264 1.00 0.75 C ATOM 292 CE2 PHE A 19 -3.817 1.545 0.050 1.00 0.70 C ATOM 293 CZ PHE A 19 -3.760 2.583 0.953 1.00 0.79 C ATOM 0 H PHE A 19 -2.826 -3.888 2.779 1.00 0.43 H new ATOM 0 HA PHE A 19 -4.189 -1.526 3.860 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -1.927 -1.357 2.845 1.00 0.52 H new ATOM 0 HB3 PHE A 19 -2.556 -1.989 1.336 1.00 0.52 H new ATOM 0 HD1 PHE A 19 -2.826 0.862 3.693 1.00 0.58 H new ATOM 0 HD2 PHE A 19 -3.562 -0.552 -0.255 1.00 0.50 H new ATOM 0 HE1 PHE A 19 -3.362 3.147 2.975 1.00 0.75 H new ATOM 0 HE2 PHE A 19 -4.096 1.736 -0.976 1.00 0.70 H new ATOM 0 HZ PHE A 19 -3.993 3.589 0.636 1.00 0.79 H new ATOM 303 N ASP A 20 -5.109 -3.119 1.107 1.00 0.44 N ATOM 304 CA ASP A 20 -6.236 -3.325 0.197 1.00 0.45 C ATOM 305 C ASP A 20 -7.285 -4.245 0.820 1.00 0.51 C ATOM 306 O ASP A 20 -6.957 -5.124 1.618 1.00 0.58 O ATOM 307 CB ASP A 20 -5.756 -3.908 -1.132 1.00 0.45 C ATOM 308 CG ASP A 20 -6.860 -3.970 -2.169 1.00 0.46 C ATOM 309 OD1 ASP A 20 -7.147 -2.930 -2.796 1.00 0.58 O ATOM 310 OD2 ASP A 20 -7.450 -5.048 -2.368 1.00 0.59 O ATOM 0 H ASP A 20 -4.292 -3.696 0.906 1.00 0.44 H new ATOM 0 HA ASP A 20 -6.695 -2.354 0.012 1.00 0.45 H new ATOM 0 HB2 ASP A 20 -4.935 -3.303 -1.516 1.00 0.45 H new ATOM 0 HB3 ASP A 20 -5.362 -4.910 -0.965 1.00 0.45 H new ATOM 315 N LYS A 21 -8.547 -4.023 0.468 1.00 0.58 N ATOM 316 CA LYS A 21 -9.646 -4.830 0.996 1.00 0.71 C ATOM 317 C LYS A 21 -10.556 -5.326 -0.120 1.00 0.68 C ATOM 318 O LYS A 21 -11.672 -5.785 0.136 1.00 0.86 O ATOM 319 CB LYS A 21 -10.487 -4.019 1.987 1.00 0.82 C ATOM 320 CG LYS A 21 -9.921 -3.968 3.396 1.00 1.05 C ATOM 321 CD LYS A 21 -8.878 -2.879 3.542 1.00 1.10 C ATOM 322 CE LYS A 21 -8.250 -2.895 4.924 1.00 1.41 C ATOM 323 NZ LYS A 21 -7.119 -1.948 5.023 1.00 1.57 N ATOM 0 H LYS A 21 -8.836 -3.291 -0.181 1.00 0.58 H new ATOM 0 HA LYS A 21 -9.199 -5.686 1.502 1.00 0.71 H new ATOM 0 HB2 LYS A 21 -10.587 -3.001 1.612 1.00 0.82 H new ATOM 0 HB3 LYS A 21 -11.490 -4.444 2.027 1.00 0.82 H new ATOM 0 HG2 LYS A 21 -10.729 -3.795 4.107 1.00 1.05 H new ATOM 0 HG3 LYS A 21 -9.478 -4.932 3.645 1.00 1.05 H new ATOM 0 HD2 LYS A 21 -8.103 -3.012 2.787 1.00 1.10 H new ATOM 0 HD3 LYS A 21 -9.337 -1.907 3.360 1.00 1.10 H new ATOM 0 HE2 LYS A 21 -9.004 -2.640 5.669 1.00 1.41 H new ATOM 0 HE3 LYS A 21 -7.902 -3.902 5.154 1.00 1.41 H new ATOM 0 HZ1 LYS A 21 -6.274 -2.451 5.362 1.00 1.57 H new ATOM 0 HZ2 LYS A 21 -6.926 -1.539 4.087 1.00 1.57 H new ATOM 0 HZ3 LYS A 21 -7.360 -1.187 5.690 1.00 1.57 H new ATOM 337 N ASP A 22 -10.090 -5.243 -1.352 1.00 0.58 N ATOM 338 CA ASP A 22 -10.895 -5.664 -2.486 1.00 0.61 C ATOM 339 C ASP A 22 -10.345 -6.948 -3.082 1.00 0.69 C ATOM 340 O ASP A 22 -11.098 -7.823 -3.511 1.00 0.82 O ATOM 341 CB ASP A 22 -10.924 -4.578 -3.563 1.00 0.55 C ATOM 342 CG ASP A 22 -10.825 -3.167 -3.011 1.00 0.52 C ATOM 343 OD1 ASP A 22 -11.811 -2.684 -2.416 1.00 0.60 O ATOM 344 OD2 ASP A 22 -9.753 -2.529 -3.181 1.00 0.55 O ATOM 0 H ASP A 22 -9.164 -4.890 -1.594 1.00 0.58 H new ATOM 0 HA ASP A 22 -11.910 -5.838 -2.129 1.00 0.61 H new ATOM 0 HB2 ASP A 22 -10.101 -4.745 -4.257 1.00 0.55 H new ATOM 0 HB3 ASP A 22 -11.847 -4.671 -4.135 1.00 0.55 H new ATOM 349 N GLY A 23 -9.026 -7.045 -3.118 1.00 0.65 N ATOM 350 CA GLY A 23 -8.378 -8.213 -3.675 1.00 0.73 C ATOM 351 C GLY A 23 -7.444 -7.832 -4.804 1.00 0.71 C ATOM 352 O GLY A 23 -6.623 -8.631 -5.252 1.00 0.87 O ATOM 0 H GLY A 23 -8.388 -6.330 -2.769 1.00 0.65 H new ATOM 0 HA2 GLY A 23 -7.819 -8.729 -2.895 1.00 0.73 H new ATOM 0 HA3 GLY A 23 -9.131 -8.910 -4.042 1.00 0.73 H new ATOM 356 N ASP A 24 -7.579 -6.593 -5.262 1.00 0.59 N ATOM 357 CA ASP A 24 -6.756 -6.081 -6.353 1.00 0.60 C ATOM 358 C ASP A 24 -5.306 -5.913 -5.911 1.00 0.59 C ATOM 359 O ASP A 24 -4.381 -6.211 -6.670 1.00 0.74 O ATOM 360 CB ASP A 24 -7.319 -4.756 -6.888 1.00 0.58 C ATOM 361 CG ASP A 24 -7.445 -3.692 -5.817 1.00 0.48 C ATOM 362 OD1 ASP A 24 -6.458 -3.012 -5.515 1.00 0.74 O ATOM 363 OD2 ASP A 24 -8.536 -3.520 -5.254 1.00 0.61 O ATOM 0 H ASP A 24 -8.253 -5.922 -4.894 1.00 0.59 H new ATOM 0 HA ASP A 24 -6.780 -6.811 -7.162 1.00 0.60 H new ATOM 0 HB2 ASP A 24 -6.672 -4.388 -7.684 1.00 0.58 H new ATOM 0 HB3 ASP A 24 -8.299 -4.936 -7.331 1.00 0.58 H new ATOM 368 N GLY A 25 -5.112 -5.446 -4.685 1.00 0.54 N ATOM 369 CA GLY A 25 -3.772 -5.260 -4.163 1.00 0.64 C ATOM 370 C GLY A 25 -3.076 -4.040 -4.742 1.00 0.69 C ATOM 371 O GLY A 25 -1.848 -3.981 -4.775 1.00 1.30 O ATOM 0 H GLY A 25 -5.861 -5.192 -4.041 1.00 0.54 H new ATOM 0 HA2 GLY A 25 -3.820 -5.164 -3.078 1.00 0.64 H new ATOM 0 HA3 GLY A 25 -3.177 -6.148 -4.378 1.00 0.64 H new ATOM 375 N THR A 26 -3.851 -3.064 -5.192 1.00 0.46 N ATOM 376 CA THR A 26 -3.295 -1.849 -5.770 1.00 0.48 C ATOM 377 C THR A 26 -3.727 -0.629 -4.975 1.00 0.46 C ATOM 378 O THR A 26 -4.740 -0.658 -4.275 1.00 0.63 O ATOM 379 CB THR A 26 -3.705 -1.680 -7.248 1.00 0.53 C ATOM 380 OG1 THR A 26 -5.121 -1.856 -7.402 1.00 0.66 O ATOM 381 CG2 THR A 26 -2.966 -2.683 -8.116 1.00 0.66 C ATOM 0 H THR A 26 -4.870 -3.090 -5.168 1.00 0.46 H new ATOM 0 HA THR A 26 -2.210 -1.940 -5.726 1.00 0.48 H new ATOM 0 HB THR A 26 -3.440 -0.671 -7.563 1.00 0.53 H new ATOM 0 HG1 THR A 26 -5.538 -1.938 -6.519 1.00 0.66 H new ATOM 0 HG21 THR A 26 -3.264 -2.553 -9.156 1.00 0.66 H new ATOM 0 HG22 THR A 26 -1.892 -2.522 -8.024 1.00 0.66 H new ATOM 0 HG23 THR A 26 -3.211 -3.695 -7.792 1.00 0.66 H new ATOM 389 N ILE A 27 -2.951 0.439 -5.063 1.00 0.37 N ATOM 390 CA ILE A 27 -3.272 1.656 -4.340 1.00 0.36 C ATOM 391 C ILE A 27 -4.023 2.643 -5.222 1.00 0.32 C ATOM 392 O ILE A 27 -3.455 3.228 -6.149 1.00 0.37 O ATOM 393 CB ILE A 27 -2.014 2.346 -3.768 1.00 0.40 C ATOM 394 CG1 ILE A 27 -1.268 1.387 -2.841 1.00 0.46 C ATOM 395 CG2 ILE A 27 -2.401 3.617 -3.023 1.00 0.42 C ATOM 396 CD1 ILE A 27 -0.026 1.979 -2.200 1.00 0.50 C ATOM 0 H ILE A 27 -2.100 0.487 -5.624 1.00 0.37 H new ATOM 0 HA ILE A 27 -3.909 1.354 -3.509 1.00 0.36 H new ATOM 0 HB ILE A 27 -1.355 2.618 -4.592 1.00 0.40 H new ATOM 0 HG12 ILE A 27 -1.947 1.058 -2.054 1.00 0.46 H new ATOM 0 HG13 ILE A 27 -0.983 0.500 -3.407 1.00 0.46 H new ATOM 0 HG21 ILE A 27 -1.505 4.093 -2.625 1.00 0.42 H new ATOM 0 HG22 ILE A 27 -2.902 4.302 -3.707 1.00 0.42 H new ATOM 0 HG23 ILE A 27 -3.074 3.367 -2.203 1.00 0.42 H new ATOM 0 HD11 ILE A 27 0.443 1.233 -1.558 1.00 0.50 H new ATOM 0 HD12 ILE A 27 0.676 2.282 -2.977 1.00 0.50 H new ATOM 0 HD13 ILE A 27 -0.303 2.848 -1.603 1.00 0.50 H new ATOM 408 N THR A 28 -5.303 2.799 -4.936 1.00 0.28 N ATOM 409 CA THR A 28 -6.152 3.722 -5.662 1.00 0.28 C ATOM 410 C THR A 28 -6.752 4.735 -4.693 1.00 0.27 C ATOM 411 O THR A 28 -6.541 4.640 -3.482 1.00 0.29 O ATOM 412 CB THR A 28 -7.286 2.979 -6.393 1.00 0.32 C ATOM 413 OG1 THR A 28 -7.148 1.567 -6.191 1.00 0.73 O ATOM 414 CG2 THR A 28 -7.260 3.287 -7.876 1.00 0.77 C ATOM 0 H THR A 28 -5.782 2.289 -4.194 1.00 0.28 H new ATOM 0 HA THR A 28 -5.541 4.233 -6.406 1.00 0.28 H new ATOM 0 HB THR A 28 -8.239 3.315 -5.985 1.00 0.32 H new ATOM 0 HG1 THR A 28 -7.724 1.285 -5.450 1.00 0.73 H new ATOM 0 HG21 THR A 28 -8.069 2.752 -8.373 1.00 0.77 H new ATOM 0 HG22 THR A 28 -7.387 4.359 -8.027 1.00 0.77 H new ATOM 0 HG23 THR A 28 -6.305 2.972 -8.296 1.00 0.77 H new ATOM 422 N THR A 29 -7.488 5.699 -5.224 1.00 0.29 N ATOM 423 CA THR A 29 -8.126 6.736 -4.422 1.00 0.33 C ATOM 424 C THR A 29 -8.984 6.144 -3.302 1.00 0.31 C ATOM 425 O THR A 29 -8.959 6.612 -2.163 1.00 0.32 O ATOM 426 CB THR A 29 -9.013 7.588 -5.329 1.00 0.40 C ATOM 427 OG1 THR A 29 -8.939 7.073 -6.662 1.00 0.48 O ATOM 428 CG2 THR A 29 -8.571 9.035 -5.315 1.00 0.59 C ATOM 0 H THR A 29 -7.661 5.786 -6.225 1.00 0.29 H new ATOM 0 HA THR A 29 -7.342 7.338 -3.963 1.00 0.33 H new ATOM 0 HB THR A 29 -10.039 7.545 -4.964 1.00 0.40 H new ATOM 0 HG1 THR A 29 -8.110 7.379 -7.085 1.00 0.48 H new ATOM 0 HG21 THR A 29 -9.219 9.620 -5.968 1.00 0.59 H new ATOM 0 HG22 THR A 29 -8.634 9.425 -4.299 1.00 0.59 H new ATOM 0 HG23 THR A 29 -7.542 9.105 -5.667 1.00 0.59 H new ATOM 436 N LYS A 30 -9.717 5.086 -3.644 1.00 0.31 N ATOM 437 CA LYS A 30 -10.622 4.413 -2.712 1.00 0.33 C ATOM 438 C LYS A 30 -9.920 3.895 -1.456 1.00 0.33 C ATOM 439 O LYS A 30 -10.328 4.217 -0.341 1.00 0.38 O ATOM 440 CB LYS A 30 -11.307 3.248 -3.423 1.00 0.36 C ATOM 441 CG LYS A 30 -12.190 2.414 -2.515 1.00 0.38 C ATOM 442 CD LYS A 30 -12.609 1.120 -3.185 1.00 0.43 C ATOM 443 CE LYS A 30 -13.381 0.233 -2.225 1.00 0.51 C ATOM 444 NZ LYS A 30 -13.807 -1.033 -2.870 1.00 0.56 N ATOM 0 H LYS A 30 -9.701 4.670 -4.575 1.00 0.31 H new ATOM 0 HA LYS A 30 -11.350 5.156 -2.386 1.00 0.33 H new ATOM 0 HB2 LYS A 30 -11.910 3.638 -4.243 1.00 0.36 H new ATOM 0 HB3 LYS A 30 -10.546 2.605 -3.865 1.00 0.36 H new ATOM 0 HG2 LYS A 30 -11.656 2.191 -1.591 1.00 0.38 H new ATOM 0 HG3 LYS A 30 -13.076 2.987 -2.241 1.00 0.38 H new ATOM 0 HD2 LYS A 30 -13.225 1.341 -4.056 1.00 0.43 H new ATOM 0 HD3 LYS A 30 -11.727 0.591 -3.545 1.00 0.43 H new ATOM 0 HE2 LYS A 30 -12.760 0.009 -1.358 1.00 0.51 H new ATOM 0 HE3 LYS A 30 -14.257 0.768 -1.860 1.00 0.51 H new ATOM 0 HZ1 LYS A 30 -14.836 -1.144 -2.771 1.00 0.56 H new ATOM 0 HZ2 LYS A 30 -13.557 -1.010 -3.879 1.00 0.56 H new ATOM 0 HZ3 LYS A 30 -13.327 -1.834 -2.413 1.00 0.56 H new ATOM 458 N GLU A 31 -8.860 3.115 -1.638 1.00 0.31 N ATOM 459 CA GLU A 31 -8.141 2.518 -0.511 1.00 0.35 C ATOM 460 C GLU A 31 -7.264 3.543 0.207 1.00 0.34 C ATOM 461 O GLU A 31 -6.951 3.385 1.386 1.00 0.39 O ATOM 462 CB GLU A 31 -7.285 1.339 -0.990 1.00 0.37 C ATOM 463 CG GLU A 31 -8.071 0.274 -1.738 1.00 0.41 C ATOM 464 CD GLU A 31 -8.030 0.466 -3.242 1.00 0.35 C ATOM 465 OE1 GLU A 31 -7.950 1.627 -3.694 1.00 0.86 O ATOM 466 OE2 GLU A 31 -8.073 -0.553 -3.977 1.00 0.87 O ATOM 0 H GLU A 31 -8.477 2.880 -2.554 1.00 0.31 H new ATOM 0 HA GLU A 31 -8.885 2.158 0.200 1.00 0.35 H new ATOM 0 HB2 GLU A 31 -6.494 1.716 -1.638 1.00 0.37 H new ATOM 0 HB3 GLU A 31 -6.799 0.881 -0.128 1.00 0.37 H new ATOM 0 HG2 GLU A 31 -7.670 -0.709 -1.490 1.00 0.41 H new ATOM 0 HG3 GLU A 31 -9.108 0.290 -1.402 1.00 0.41 H new ATOM 473 N LEU A 32 -6.898 4.591 -0.504 1.00 0.31 N ATOM 474 CA LEU A 32 -6.064 5.636 0.064 1.00 0.33 C ATOM 475 C LEU A 32 -6.856 6.429 1.102 1.00 0.35 C ATOM 476 O LEU A 32 -6.415 6.612 2.238 1.00 0.47 O ATOM 477 CB LEU A 32 -5.569 6.559 -1.049 1.00 0.34 C ATOM 478 CG LEU A 32 -4.364 7.423 -0.702 1.00 0.37 C ATOM 479 CD1 LEU A 32 -3.209 6.571 -0.206 1.00 0.36 C ATOM 480 CD2 LEU A 32 -3.947 8.234 -1.911 1.00 0.43 C ATOM 0 H LEU A 32 -7.164 4.743 -1.477 1.00 0.31 H new ATOM 0 HA LEU A 32 -5.203 5.184 0.557 1.00 0.33 H new ATOM 0 HB2 LEU A 32 -5.318 5.949 -1.917 1.00 0.34 H new ATOM 0 HB3 LEU A 32 -6.389 7.213 -1.345 1.00 0.34 H new ATOM 0 HG LEU A 32 -4.645 8.104 0.101 1.00 0.37 H new ATOM 0 HD11 LEU A 32 -2.361 7.212 0.035 1.00 0.36 H new ATOM 0 HD12 LEU A 32 -3.516 6.025 0.686 1.00 0.36 H new ATOM 0 HD13 LEU A 32 -2.919 5.863 -0.983 1.00 0.36 H new ATOM 0 HD21 LEU A 32 -3.085 8.850 -1.656 1.00 0.43 H new ATOM 0 HD22 LEU A 32 -3.684 7.561 -2.727 1.00 0.43 H new ATOM 0 HD23 LEU A 32 -4.772 8.875 -2.221 1.00 0.43 H new ATOM 492 N GLY A 33 -8.045 6.859 0.705 1.00 0.30 N ATOM 493 CA GLY A 33 -8.890 7.641 1.578 1.00 0.33 C ATOM 494 C GLY A 33 -9.495 6.841 2.715 1.00 0.34 C ATOM 495 O GLY A 33 -9.599 7.346 3.821 1.00 0.36 O ATOM 0 H GLY A 33 -8.441 6.676 -0.217 1.00 0.30 H new ATOM 0 HA2 GLY A 33 -8.307 8.463 1.993 1.00 0.33 H new ATOM 0 HA3 GLY A 33 -9.693 8.085 0.990 1.00 0.33 H new ATOM 499 N THR A 34 -9.866 5.586 2.464 1.00 0.36 N ATOM 500 CA THR A 34 -10.491 4.756 3.495 1.00 0.39 C ATOM 501 C THR A 34 -9.591 4.575 4.715 1.00 0.40 C ATOM 502 O THR A 34 -10.057 4.635 5.855 1.00 0.46 O ATOM 503 CB THR A 34 -10.879 3.366 2.955 1.00 0.43 C ATOM 504 OG1 THR A 34 -9.971 2.972 1.921 1.00 0.42 O ATOM 505 CG2 THR A 34 -12.312 3.363 2.435 1.00 0.47 C ATOM 0 H THR A 34 -9.746 5.124 1.563 1.00 0.36 H new ATOM 0 HA THR A 34 -11.392 5.290 3.796 1.00 0.39 H new ATOM 0 HB THR A 34 -10.817 2.649 3.773 1.00 0.43 H new ATOM 0 HG1 THR A 34 -10.357 3.188 1.047 1.00 0.42 H new ATOM 0 HG21 THR A 34 -12.561 2.370 2.060 1.00 0.47 H new ATOM 0 HG22 THR A 34 -12.993 3.626 3.244 1.00 0.47 H new ATOM 0 HG23 THR A 34 -12.408 4.090 1.629 1.00 0.47 H new ATOM 513 N VAL A 35 -8.303 4.369 4.479 1.00 0.40 N ATOM 514 CA VAL A 35 -7.357 4.176 5.572 1.00 0.43 C ATOM 515 C VAL A 35 -7.111 5.482 6.315 1.00 0.40 C ATOM 516 O VAL A 35 -7.324 5.566 7.526 1.00 0.42 O ATOM 517 CB VAL A 35 -6.011 3.613 5.059 1.00 0.51 C ATOM 518 CG1 VAL A 35 -5.018 3.427 6.202 1.00 1.14 C ATOM 519 CG2 VAL A 35 -6.234 2.303 4.318 1.00 1.38 C ATOM 0 H VAL A 35 -7.890 4.331 3.547 1.00 0.40 H new ATOM 0 HA VAL A 35 -7.800 3.453 6.257 1.00 0.43 H new ATOM 0 HB VAL A 35 -5.583 4.336 4.365 1.00 0.51 H new ATOM 0 HG11 VAL A 35 -4.082 3.030 5.810 1.00 1.14 H new ATOM 0 HG12 VAL A 35 -4.832 4.388 6.682 1.00 1.14 H new ATOM 0 HG13 VAL A 35 -5.430 2.730 6.932 1.00 1.14 H new ATOM 0 HG21 VAL A 35 -5.278 1.919 3.963 1.00 1.38 H new ATOM 0 HG22 VAL A 35 -6.689 1.577 4.992 1.00 1.38 H new ATOM 0 HG23 VAL A 35 -6.895 2.474 3.468 1.00 1.38 H new ATOM 529 N MET A 36 -6.667 6.507 5.583 1.00 0.38 N ATOM 530 CA MET A 36 -6.389 7.812 6.160 1.00 0.40 C ATOM 531 C MET A 36 -7.636 8.406 6.840 1.00 0.37 C ATOM 532 O MET A 36 -7.525 9.175 7.801 1.00 0.39 O ATOM 533 CB MET A 36 -5.826 8.732 5.059 1.00 0.46 C ATOM 534 CG MET A 36 -4.418 8.325 4.612 1.00 0.82 C ATOM 535 SD MET A 36 -3.969 8.921 2.958 1.00 0.85 S ATOM 536 CE MET A 36 -2.351 8.164 2.745 1.00 0.83 C ATOM 0 H MET A 36 -6.493 6.450 4.580 1.00 0.38 H new ATOM 0 HA MET A 36 -5.642 7.712 6.947 1.00 0.40 H new ATOM 0 HB2 MET A 36 -6.495 8.714 4.199 1.00 0.46 H new ATOM 0 HB3 MET A 36 -5.804 9.759 5.425 1.00 0.46 H new ATOM 0 HG2 MET A 36 -3.695 8.706 5.333 1.00 0.82 H new ATOM 0 HG3 MET A 36 -4.343 7.238 4.628 1.00 0.82 H new ATOM 0 HE1 MET A 36 -1.907 8.510 1.811 1.00 0.83 H new ATOM 0 HE2 MET A 36 -1.706 8.443 3.578 1.00 0.83 H new ATOM 0 HE3 MET A 36 -2.458 7.080 2.716 1.00 0.83 H new ATOM 546 N ARG A 37 -8.808 8.011 6.354 1.00 0.36 N ATOM 547 CA ARG A 37 -10.093 8.461 6.910 1.00 0.38 C ATOM 548 C ARG A 37 -10.259 8.001 8.356 1.00 0.40 C ATOM 549 O ARG A 37 -10.867 8.691 9.181 1.00 0.45 O ATOM 550 CB ARG A 37 -11.255 7.909 6.073 1.00 0.41 C ATOM 551 CG ARG A 37 -12.612 8.545 6.339 1.00 0.51 C ATOM 552 CD ARG A 37 -13.708 7.754 5.647 1.00 0.71 C ATOM 553 NE ARG A 37 -14.986 8.463 5.641 1.00 1.03 N ATOM 554 CZ ARG A 37 -16.002 8.157 4.837 1.00 1.51 C ATOM 555 NH1 ARG A 37 -15.900 7.145 3.989 1.00 1.88 N ATOM 556 NH2 ARG A 37 -17.124 8.862 4.888 1.00 1.95 N ATOM 0 H ARG A 37 -8.901 7.371 5.565 1.00 0.36 H new ATOM 0 HA ARG A 37 -10.102 9.551 6.883 1.00 0.38 H new ATOM 0 HB2 ARG A 37 -11.013 8.037 5.018 1.00 0.41 H new ATOM 0 HB3 ARG A 37 -11.334 6.837 6.254 1.00 0.41 H new ATOM 0 HG2 ARG A 37 -12.801 8.580 7.412 1.00 0.51 H new ATOM 0 HG3 ARG A 37 -12.615 9.575 5.981 1.00 0.51 H new ATOM 0 HD2 ARG A 37 -13.408 7.543 4.621 1.00 0.71 H new ATOM 0 HD3 ARG A 37 -13.831 6.793 6.147 1.00 0.71 H new ATOM 0 HE ARG A 37 -15.107 9.239 6.292 1.00 1.03 H new ATOM 0 HH11 ARG A 37 -15.041 6.597 3.950 1.00 1.88 H new ATOM 0 HH12 ARG A 37 -16.681 6.914 3.375 1.00 1.88 H new ATOM 0 HH21 ARG A 37 -17.209 9.639 5.543 1.00 1.95 H new ATOM 0 HH22 ARG A 37 -17.902 8.627 4.272 1.00 1.95 H new ATOM 570 N SER A 38 -9.705 6.841 8.661 1.00 0.42 N ATOM 571 CA SER A 38 -9.803 6.274 9.999 1.00 0.45 C ATOM 572 C SER A 38 -8.592 6.640 10.847 1.00 0.46 C ATOM 573 O SER A 38 -8.536 6.330 12.038 1.00 0.59 O ATOM 574 CB SER A 38 -9.935 4.758 9.895 1.00 0.53 C ATOM 575 OG SER A 38 -10.890 4.407 8.902 1.00 0.58 O ATOM 0 H SER A 38 -9.180 6.269 7.999 1.00 0.42 H new ATOM 0 HA SER A 38 -10.685 6.688 10.488 1.00 0.45 H new ATOM 0 HB2 SER A 38 -8.968 4.319 9.649 1.00 0.53 H new ATOM 0 HB3 SER A 38 -10.236 4.347 10.858 1.00 0.53 H new ATOM 0 HG SER A 38 -10.496 4.528 8.013 1.00 0.58 H new ATOM 581 N LEU A 39 -7.634 7.319 10.237 1.00 0.40 N ATOM 582 CA LEU A 39 -6.423 7.720 10.936 1.00 0.43 C ATOM 583 C LEU A 39 -6.548 9.144 11.465 1.00 0.46 C ATOM 584 O LEU A 39 -6.133 9.438 12.588 1.00 0.58 O ATOM 585 CB LEU A 39 -5.218 7.609 10.000 1.00 0.44 C ATOM 586 CG LEU A 39 -3.996 6.890 10.583 1.00 0.46 C ATOM 587 CD1 LEU A 39 -4.268 5.399 10.726 1.00 0.72 C ATOM 588 CD2 LEU A 39 -2.776 7.116 9.704 1.00 0.52 C ATOM 0 H LEU A 39 -7.671 7.604 9.258 1.00 0.40 H new ATOM 0 HA LEU A 39 -6.278 7.052 11.785 1.00 0.43 H new ATOM 0 HB2 LEU A 39 -5.529 7.086 9.096 1.00 0.44 H new ATOM 0 HB3 LEU A 39 -4.919 8.613 9.700 1.00 0.44 H new ATOM 0 HG LEU A 39 -3.798 7.304 11.572 1.00 0.46 H new ATOM 0 HD11 LEU A 39 -3.389 4.907 11.141 1.00 0.72 H new ATOM 0 HD12 LEU A 39 -5.118 5.246 11.392 1.00 0.72 H new ATOM 0 HD13 LEU A 39 -4.493 4.975 9.747 1.00 0.72 H new ATOM 0 HD21 LEU A 39 -1.918 6.599 10.133 1.00 0.52 H new ATOM 0 HD22 LEU A 39 -2.971 6.728 8.704 1.00 0.52 H new ATOM 0 HD23 LEU A 39 -2.563 8.183 9.644 1.00 0.52 H new ATOM 600 N GLY A 40 -7.104 10.029 10.647 1.00 0.44 N ATOM 601 CA GLY A 40 -7.274 11.408 11.055 1.00 0.50 C ATOM 602 C GLY A 40 -8.262 12.143 10.181 1.00 0.50 C ATOM 603 O GLY A 40 -8.071 13.323 9.886 1.00 0.56 O ATOM 0 H GLY A 40 -7.440 9.815 9.708 1.00 0.44 H new ATOM 0 HA2 GLY A 40 -7.613 11.440 12.090 1.00 0.50 H new ATOM 0 HA3 GLY A 40 -6.311 11.917 11.019 1.00 0.50 H new ATOM 607 N GLN A 41 -9.329 11.443 9.790 1.00 0.49 N ATOM 608 CA GLN A 41 -10.381 12.000 8.930 1.00 0.54 C ATOM 609 C GLN A 41 -9.893 12.186 7.487 1.00 0.51 C ATOM 610 O GLN A 41 -8.701 12.344 7.228 1.00 0.60 O ATOM 611 CB GLN A 41 -10.927 13.322 9.491 1.00 0.62 C ATOM 612 CG GLN A 41 -11.956 13.151 10.603 1.00 1.04 C ATOM 613 CD GLN A 41 -11.323 12.859 11.952 1.00 1.93 C ATOM 614 OE1 GLN A 41 -11.174 11.702 12.345 1.00 2.45 O ATOM 615 NE2 GLN A 41 -10.939 13.908 12.664 1.00 2.83 N ATOM 0 H GLN A 41 -9.490 10.473 10.060 1.00 0.49 H new ATOM 0 HA GLN A 41 -11.196 11.277 8.917 1.00 0.54 H new ATOM 0 HB2 GLN A 41 -10.094 13.915 9.870 1.00 0.62 H new ATOM 0 HB3 GLN A 41 -11.378 13.890 8.678 1.00 0.62 H new ATOM 0 HG2 GLN A 41 -12.557 14.057 10.678 1.00 1.04 H new ATOM 0 HG3 GLN A 41 -12.635 12.339 10.342 1.00 1.04 H new ATOM 0 HE21 GLN A 41 -11.081 14.851 12.301 1.00 2.83 H new ATOM 0 HE22 GLN A 41 -10.501 13.773 13.575 1.00 2.83 H new ATOM 624 N ASN A 42 -10.828 12.159 6.549 1.00 0.53 N ATOM 625 CA ASN A 42 -10.499 12.309 5.137 1.00 0.53 C ATOM 626 C ASN A 42 -11.196 13.542 4.563 1.00 0.50 C ATOM 627 O ASN A 42 -12.348 13.817 4.903 1.00 0.56 O ATOM 628 CB ASN A 42 -10.920 11.045 4.377 1.00 0.67 C ATOM 629 CG ASN A 42 -10.493 11.045 2.922 1.00 0.73 C ATOM 630 OD1 ASN A 42 -9.334 10.788 2.605 1.00 0.96 O ATOM 631 ND2 ASN A 42 -11.429 11.311 2.028 1.00 0.63 N ATOM 0 H ASN A 42 -11.822 12.034 6.739 1.00 0.53 H new ATOM 0 HA ASN A 42 -9.423 12.444 5.027 1.00 0.53 H new ATOM 0 HB2 ASN A 42 -10.493 10.173 4.873 1.00 0.67 H new ATOM 0 HB3 ASN A 42 -12.004 10.943 4.430 1.00 0.67 H new ATOM 0 HD21 ASN A 42 -11.200 11.308 1.034 1.00 0.63 H new ATOM 0 HD22 ASN A 42 -12.380 11.520 2.332 1.00 0.63 H new ATOM 638 N PRO A 43 -10.500 14.316 3.711 1.00 0.49 N ATOM 639 CA PRO A 43 -11.069 15.522 3.106 1.00 0.54 C ATOM 640 C PRO A 43 -12.036 15.217 1.952 1.00 0.50 C ATOM 641 O PRO A 43 -12.588 14.118 1.856 1.00 0.48 O ATOM 642 CB PRO A 43 -9.839 16.276 2.608 1.00 0.61 C ATOM 643 CG PRO A 43 -8.797 15.235 2.370 1.00 0.60 C ATOM 644 CD PRO A 43 -9.104 14.080 3.288 1.00 0.56 C ATOM 0 HA PRO A 43 -11.673 16.087 3.816 1.00 0.54 H new ATOM 0 HB2 PRO A 43 -10.060 16.825 1.693 1.00 0.61 H new ATOM 0 HB3 PRO A 43 -9.502 17.006 3.344 1.00 0.61 H new ATOM 0 HG2 PRO A 43 -8.806 14.912 1.329 1.00 0.60 H new ATOM 0 HG3 PRO A 43 -7.802 15.633 2.571 1.00 0.60 H new ATOM 0 HD2 PRO A 43 -8.999 13.124 2.775 1.00 0.56 H new ATOM 0 HD3 PRO A 43 -8.427 14.059 4.142 1.00 0.56 H new ATOM 652 N THR A 44 -12.242 16.192 1.066 1.00 0.57 N ATOM 653 CA THR A 44 -13.159 16.015 -0.057 1.00 0.59 C ATOM 654 C THR A 44 -12.537 15.184 -1.174 1.00 0.53 C ATOM 655 O THR A 44 -11.315 15.033 -1.247 1.00 0.50 O ATOM 656 CB THR A 44 -13.607 17.374 -0.635 1.00 0.71 C ATOM 657 OG1 THR A 44 -12.471 18.098 -1.124 1.00 0.72 O ATOM 658 CG2 THR A 44 -14.319 18.205 0.420 1.00 0.80 C ATOM 0 H THR A 44 -11.789 17.105 1.104 1.00 0.57 H new ATOM 0 HA THR A 44 -14.026 15.484 0.336 1.00 0.59 H new ATOM 0 HB THR A 44 -14.299 17.181 -1.454 1.00 0.71 H new ATOM 0 HG1 THR A 44 -11.935 18.416 -0.367 1.00 0.72 H new ATOM 0 HG21 THR A 44 -14.625 19.158 -0.012 1.00 0.80 H new ATOM 0 HG22 THR A 44 -15.199 17.668 0.773 1.00 0.80 H new ATOM 0 HG23 THR A 44 -13.644 18.386 1.257 1.00 0.80 H new ATOM 666 N GLU A 45 -13.394 14.641 -2.037 1.00 0.58 N ATOM 667 CA GLU A 45 -12.955 13.840 -3.170 1.00 0.58 C ATOM 668 C GLU A 45 -11.952 14.611 -4.025 1.00 0.57 C ATOM 669 O GLU A 45 -11.065 14.017 -4.635 1.00 0.56 O ATOM 670 CB GLU A 45 -14.153 13.438 -4.023 1.00 0.68 C ATOM 671 CG GLU A 45 -15.130 12.509 -3.317 1.00 0.81 C ATOM 672 CD GLU A 45 -16.283 13.251 -2.671 1.00 1.39 C ATOM 673 OE1 GLU A 45 -16.074 13.879 -1.611 1.00 1.82 O ATOM 674 OE2 GLU A 45 -17.404 13.213 -3.229 1.00 2.13 O ATOM 0 H GLU A 45 -14.406 14.745 -1.968 1.00 0.58 H new ATOM 0 HA GLU A 45 -12.468 12.944 -2.784 1.00 0.58 H new ATOM 0 HB2 GLU A 45 -14.683 14.338 -4.334 1.00 0.68 H new ATOM 0 HB3 GLU A 45 -13.794 12.950 -4.929 1.00 0.68 H new ATOM 0 HG2 GLU A 45 -15.524 11.789 -4.035 1.00 0.81 H new ATOM 0 HG3 GLU A 45 -14.597 11.940 -2.555 1.00 0.81 H new ATOM 681 N ALA A 46 -12.109 15.931 -4.066 1.00 0.60 N ATOM 682 CA ALA A 46 -11.212 16.789 -4.825 1.00 0.61 C ATOM 683 C ALA A 46 -9.797 16.714 -4.265 1.00 0.55 C ATOM 684 O ALA A 46 -8.847 16.403 -4.984 1.00 0.54 O ATOM 685 CB ALA A 46 -11.718 18.225 -4.794 1.00 0.70 C ATOM 0 H ALA A 46 -12.854 16.429 -3.579 1.00 0.60 H new ATOM 0 HA ALA A 46 -11.189 16.444 -5.859 1.00 0.61 H new ATOM 0 HB1 ALA A 46 -11.041 18.862 -5.364 1.00 0.70 H new ATOM 0 HB2 ALA A 46 -12.715 18.269 -5.233 1.00 0.70 H new ATOM 0 HB3 ALA A 46 -11.761 18.574 -3.762 1.00 0.70 H new ATOM 691 N GLU A 47 -9.676 16.969 -2.969 1.00 0.54 N ATOM 692 CA GLU A 47 -8.386 16.937 -2.291 1.00 0.51 C ATOM 693 C GLU A 47 -7.803 15.527 -2.317 1.00 0.46 C ATOM 694 O GLU A 47 -6.588 15.345 -2.415 1.00 0.46 O ATOM 695 CB GLU A 47 -8.547 17.419 -0.851 1.00 0.55 C ATOM 696 CG GLU A 47 -9.011 18.858 -0.747 1.00 0.66 C ATOM 697 CD GLU A 47 -9.638 19.174 0.594 1.00 0.72 C ATOM 698 OE1 GLU A 47 -10.863 18.961 0.747 1.00 0.76 O ATOM 699 OE2 GLU A 47 -8.914 19.643 1.496 1.00 0.81 O ATOM 0 H GLU A 47 -10.462 17.202 -2.362 1.00 0.54 H new ATOM 0 HA GLU A 47 -7.697 17.601 -2.813 1.00 0.51 H new ATOM 0 HB2 GLU A 47 -9.263 16.776 -0.338 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -7.595 17.314 -0.332 1.00 0.55 H new ATOM 0 HG2 GLU A 47 -8.162 19.522 -0.912 1.00 0.66 H new ATOM 0 HG3 GLU A 47 -9.733 19.061 -1.538 1.00 0.66 H new ATOM 706 N LEU A 48 -8.688 14.536 -2.247 1.00 0.44 N ATOM 707 CA LEU A 48 -8.287 13.133 -2.266 1.00 0.44 C ATOM 708 C LEU A 48 -7.712 12.752 -3.632 1.00 0.43 C ATOM 709 O LEU A 48 -6.709 12.043 -3.725 1.00 0.43 O ATOM 710 CB LEU A 48 -9.488 12.243 -1.940 1.00 0.51 C ATOM 711 CG LEU A 48 -9.183 10.750 -1.806 1.00 0.64 C ATOM 712 CD1 LEU A 48 -8.205 10.502 -0.667 1.00 0.76 C ATOM 713 CD2 LEU A 48 -10.470 9.963 -1.608 1.00 0.73 C ATOM 0 H LEU A 48 -9.695 14.681 -2.176 1.00 0.44 H new ATOM 0 HA LEU A 48 -7.514 12.985 -1.512 1.00 0.44 H new ATOM 0 HB2 LEU A 48 -9.933 12.590 -1.008 1.00 0.51 H new ATOM 0 HB3 LEU A 48 -10.238 12.374 -2.720 1.00 0.51 H new ATOM 0 HG LEU A 48 -8.714 10.405 -2.728 1.00 0.64 H new ATOM 0 HD11 LEU A 48 -8.001 9.434 -0.588 1.00 0.76 H new ATOM 0 HD12 LEU A 48 -7.275 11.035 -0.863 1.00 0.76 H new ATOM 0 HD13 LEU A 48 -8.637 10.859 0.268 1.00 0.76 H new ATOM 0 HD21 LEU A 48 -10.237 8.902 -1.514 1.00 0.73 H new ATOM 0 HD22 LEU A 48 -10.971 10.306 -0.703 1.00 0.73 H new ATOM 0 HD23 LEU A 48 -11.126 10.116 -2.465 1.00 0.73 H new ATOM 725 N GLN A 49 -8.352 13.236 -4.694 1.00 0.45 N ATOM 726 CA GLN A 49 -7.910 12.953 -6.053 1.00 0.47 C ATOM 727 C GLN A 49 -6.567 13.622 -6.318 1.00 0.46 C ATOM 728 O GLN A 49 -5.739 13.104 -7.061 1.00 0.48 O ATOM 729 CB GLN A 49 -8.955 13.436 -7.054 1.00 0.53 C ATOM 730 CG GLN A 49 -8.726 12.930 -8.463 1.00 0.74 C ATOM 731 CD GLN A 49 -9.744 13.472 -9.444 1.00 0.84 C ATOM 732 OE1 GLN A 49 -10.815 12.897 -9.625 1.00 0.99 O ATOM 733 NE2 GLN A 49 -9.415 14.587 -10.076 1.00 1.12 N ATOM 0 H GLN A 49 -9.181 13.828 -4.637 1.00 0.45 H new ATOM 0 HA GLN A 49 -7.789 11.876 -6.170 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -9.942 13.117 -6.718 1.00 0.53 H new ATOM 0 HB3 GLN A 49 -8.959 14.526 -7.065 1.00 0.53 H new ATOM 0 HG2 GLN A 49 -7.725 13.212 -8.789 1.00 0.74 H new ATOM 0 HG3 GLN A 49 -8.767 11.841 -8.466 1.00 0.74 H new ATOM 0 HE21 GLN A 49 -8.514 15.030 -9.894 1.00 1.12 H new ATOM 0 HE22 GLN A 49 -10.062 15.004 -10.745 1.00 1.12 H new ATOM 742 N ASP A 50 -6.353 14.770 -5.688 1.00 0.45 N ATOM 743 CA ASP A 50 -5.102 15.504 -5.841 1.00 0.46 C ATOM 744 C ASP A 50 -3.958 14.713 -5.224 1.00 0.42 C ATOM 745 O ASP A 50 -2.825 14.747 -5.707 1.00 0.45 O ATOM 746 CB ASP A 50 -5.220 16.865 -5.166 1.00 0.51 C ATOM 747 CG ASP A 50 -4.102 17.810 -5.548 1.00 0.60 C ATOM 748 OD1 ASP A 50 -4.149 18.365 -6.667 1.00 1.10 O ATOM 749 OD2 ASP A 50 -3.189 18.029 -4.724 1.00 1.42 O ATOM 0 H ASP A 50 -7.029 15.214 -5.066 1.00 0.45 H new ATOM 0 HA ASP A 50 -4.898 15.649 -6.902 1.00 0.46 H new ATOM 0 HB2 ASP A 50 -6.176 17.315 -5.432 1.00 0.51 H new ATOM 0 HB3 ASP A 50 -5.221 16.730 -4.084 1.00 0.51 H new ATOM 754 N MET A 51 -4.280 13.974 -4.167 1.00 0.39 N ATOM 755 CA MET A 51 -3.303 13.158 -3.465 1.00 0.38 C ATOM 756 C MET A 51 -2.768 12.043 -4.359 1.00 0.37 C ATOM 757 O MET A 51 -1.580 11.740 -4.322 1.00 0.38 O ATOM 758 CB MET A 51 -3.918 12.555 -2.206 1.00 0.41 C ATOM 759 CG MET A 51 -3.238 12.994 -0.921 1.00 0.45 C ATOM 760 SD MET A 51 -1.568 12.336 -0.745 1.00 0.54 S ATOM 761 CE MET A 51 -1.918 10.664 -0.204 1.00 0.40 C ATOM 0 H MET A 51 -5.221 13.926 -3.777 1.00 0.39 H new ATOM 0 HA MET A 51 -2.472 13.806 -3.186 1.00 0.38 H new ATOM 0 HB2 MET A 51 -4.972 12.829 -2.160 1.00 0.41 H new ATOM 0 HB3 MET A 51 -3.874 11.468 -2.276 1.00 0.41 H new ATOM 0 HG2 MET A 51 -3.198 14.083 -0.892 1.00 0.45 H new ATOM 0 HG3 MET A 51 -3.840 12.674 -0.071 1.00 0.45 H new ATOM 0 HE1 MET A 51 -1.675 10.566 0.854 1.00 0.40 H new ATOM 0 HE2 MET A 51 -2.975 10.446 -0.356 1.00 0.40 H new ATOM 0 HE3 MET A 51 -1.316 9.962 -0.781 1.00 0.40 H new ATOM 771 N ILE A 52 -3.638 11.441 -5.173 1.00 0.39 N ATOM 772 CA ILE A 52 -3.203 10.362 -6.066 1.00 0.43 C ATOM 773 C ILE A 52 -2.435 10.922 -7.266 1.00 0.47 C ATOM 774 O ILE A 52 -1.752 10.188 -7.986 1.00 0.52 O ATOM 775 CB ILE A 52 -4.388 9.482 -6.543 1.00 0.48 C ATOM 776 CG1 ILE A 52 -3.899 8.077 -6.908 1.00 0.49 C ATOM 777 CG2 ILE A 52 -5.114 10.110 -7.725 1.00 0.59 C ATOM 778 CD1 ILE A 52 -3.422 7.266 -5.718 1.00 0.46 C ATOM 0 H ILE A 52 -4.629 11.675 -5.234 1.00 0.39 H new ATOM 0 HA ILE A 52 -2.535 9.723 -5.489 1.00 0.43 H new ATOM 0 HB ILE A 52 -5.096 9.409 -5.717 1.00 0.48 H new ATOM 0 HG12 ILE A 52 -4.707 7.538 -7.402 1.00 0.49 H new ATOM 0 HG13 ILE A 52 -3.085 8.161 -7.628 1.00 0.49 H new ATOM 0 HG21 ILE A 52 -5.938 9.465 -8.031 1.00 0.59 H new ATOM 0 HG22 ILE A 52 -5.505 11.085 -7.435 1.00 0.59 H new ATOM 0 HG23 ILE A 52 -4.419 10.230 -8.556 1.00 0.59 H new ATOM 0 HD11 ILE A 52 -3.092 6.284 -6.056 1.00 0.46 H new ATOM 0 HD12 ILE A 52 -2.592 7.782 -5.235 1.00 0.46 H new ATOM 0 HD13 ILE A 52 -4.239 7.149 -5.006 1.00 0.46 H new ATOM 790 N ASN A 53 -2.506 12.233 -7.455 1.00 0.50 N ATOM 791 CA ASN A 53 -1.805 12.889 -8.553 1.00 0.57 C ATOM 792 C ASN A 53 -0.377 13.194 -8.116 1.00 0.56 C ATOM 793 O ASN A 53 0.530 13.349 -8.933 1.00 0.61 O ATOM 794 CB ASN A 53 -2.535 14.175 -8.945 1.00 0.65 C ATOM 795 CG ASN A 53 -1.842 14.932 -10.067 1.00 0.72 C ATOM 796 OD1 ASN A 53 -1.800 14.468 -11.205 1.00 0.98 O ATOM 797 ND2 ASN A 53 -1.303 16.105 -9.758 1.00 1.06 N ATOM 0 H ASN A 53 -3.043 12.865 -6.861 1.00 0.50 H new ATOM 0 HA ASN A 53 -1.782 12.233 -9.423 1.00 0.57 H new ATOM 0 HB2 ASN A 53 -3.551 13.930 -9.253 1.00 0.65 H new ATOM 0 HB3 ASN A 53 -2.614 14.822 -8.072 1.00 0.65 H new ATOM 0 HD21 ASN A 53 -0.833 16.655 -10.477 1.00 1.06 H new ATOM 0 HD22 ASN A 53 -1.359 16.456 -8.802 1.00 1.06 H new ATOM 804 N GLU A 54 -0.206 13.246 -6.803 1.00 0.50 N ATOM 805 CA GLU A 54 1.077 13.521 -6.173 1.00 0.51 C ATOM 806 C GLU A 54 1.840 12.230 -5.930 1.00 0.50 C ATOM 807 O GLU A 54 2.794 12.200 -5.148 1.00 0.71 O ATOM 808 CB GLU A 54 0.824 14.200 -4.828 1.00 0.53 C ATOM 809 CG GLU A 54 1.958 15.087 -4.341 1.00 0.62 C ATOM 810 CD GLU A 54 1.503 16.079 -3.293 1.00 0.91 C ATOM 811 OE1 GLU A 54 1.117 15.641 -2.193 1.00 1.46 O ATOM 812 OE2 GLU A 54 1.555 17.299 -3.560 1.00 1.58 O ATOM 0 H GLU A 54 -0.964 13.097 -6.137 1.00 0.50 H new ATOM 0 HA GLU A 54 1.665 14.163 -6.829 1.00 0.51 H new ATOM 0 HB2 GLU A 54 -0.082 14.801 -4.905 1.00 0.53 H new ATOM 0 HB3 GLU A 54 0.634 13.432 -4.078 1.00 0.53 H new ATOM 0 HG2 GLU A 54 2.751 14.464 -3.928 1.00 0.62 H new ATOM 0 HG3 GLU A 54 2.384 15.626 -5.187 1.00 0.62 H new ATOM 819 N VAL A 55 1.436 11.162 -6.595 1.00 0.48 N ATOM 820 CA VAL A 55 2.075 9.883 -6.371 1.00 0.46 C ATOM 821 C VAL A 55 2.123 9.022 -7.634 1.00 0.47 C ATOM 822 O VAL A 55 3.127 8.359 -7.894 1.00 0.69 O ATOM 823 CB VAL A 55 1.363 9.185 -5.196 1.00 0.47 C ATOM 824 CG1 VAL A 55 -0.124 9.041 -5.417 1.00 0.39 C ATOM 825 CG2 VAL A 55 1.972 7.863 -4.826 1.00 0.82 C ATOM 0 H VAL A 55 0.682 11.156 -7.282 1.00 0.48 H new ATOM 0 HA VAL A 55 3.121 10.042 -6.109 1.00 0.46 H new ATOM 0 HB VAL A 55 1.513 9.854 -4.348 1.00 0.47 H new ATOM 0 HG11 VAL A 55 -0.573 8.543 -4.558 1.00 0.39 H new ATOM 0 HG12 VAL A 55 -0.571 10.028 -5.539 1.00 0.39 H new ATOM 0 HG13 VAL A 55 -0.303 8.449 -6.314 1.00 0.39 H new ATOM 0 HG21 VAL A 55 1.420 7.429 -3.992 1.00 0.82 H new ATOM 0 HG22 VAL A 55 1.926 7.189 -5.681 1.00 0.82 H new ATOM 0 HG23 VAL A 55 3.012 8.010 -4.536 1.00 0.82 H new ATOM 835 N ASP A 56 1.064 9.047 -8.437 1.00 0.52 N ATOM 836 CA ASP A 56 1.051 8.275 -9.674 1.00 0.52 C ATOM 837 C ASP A 56 1.703 9.084 -10.793 1.00 0.62 C ATOM 838 O ASP A 56 1.081 9.960 -11.396 1.00 0.70 O ATOM 839 CB ASP A 56 -0.371 7.865 -10.048 1.00 0.53 C ATOM 840 CG ASP A 56 -0.387 6.843 -11.163 1.00 0.52 C ATOM 841 OD1 ASP A 56 -0.074 5.651 -10.903 1.00 0.52 O ATOM 842 OD2 ASP A 56 -0.714 7.208 -12.308 1.00 0.57 O ATOM 0 H ASP A 56 0.216 9.585 -8.258 1.00 0.52 H new ATOM 0 HA ASP A 56 1.624 7.360 -9.524 1.00 0.52 H new ATOM 0 HB2 ASP A 56 -0.873 7.455 -9.172 1.00 0.53 H new ATOM 0 HB3 ASP A 56 -0.934 8.746 -10.355 1.00 0.53 H new ATOM 847 N ALA A 57 2.971 8.793 -11.049 1.00 0.68 N ATOM 848 CA ALA A 57 3.737 9.514 -12.061 1.00 0.81 C ATOM 849 C ALA A 57 3.571 8.931 -13.464 1.00 0.81 C ATOM 850 O ALA A 57 3.849 9.606 -14.453 1.00 0.88 O ATOM 851 CB ALA A 57 5.207 9.529 -11.682 1.00 0.90 C ATOM 0 H ALA A 57 3.494 8.061 -10.569 1.00 0.68 H new ATOM 0 HA ALA A 57 3.344 10.530 -12.090 1.00 0.81 H new ATOM 0 HB1 ALA A 57 5.773 10.069 -12.441 1.00 0.90 H new ATOM 0 HB2 ALA A 57 5.329 10.024 -10.718 1.00 0.90 H new ATOM 0 HB3 ALA A 57 5.576 8.505 -11.614 1.00 0.90 H new ATOM 857 N ASP A 58 3.132 7.682 -13.555 1.00 0.76 N ATOM 858 CA ASP A 58 2.947 7.027 -14.849 1.00 0.79 C ATOM 859 C ASP A 58 1.747 7.612 -15.586 1.00 0.80 C ATOM 860 O ASP A 58 1.777 7.753 -16.808 1.00 0.85 O ATOM 861 CB ASP A 58 2.804 5.508 -14.683 1.00 0.76 C ATOM 862 CG ASP A 58 1.870 5.110 -13.557 1.00 0.61 C ATOM 863 OD1 ASP A 58 2.095 5.501 -12.404 1.00 0.59 O ATOM 864 OD2 ASP A 58 0.891 4.391 -13.788 1.00 0.62 O ATOM 0 H ASP A 58 2.897 7.101 -12.751 1.00 0.76 H new ATOM 0 HA ASP A 58 3.836 7.214 -15.451 1.00 0.79 H new ATOM 0 HB2 ASP A 58 2.438 5.081 -15.617 1.00 0.76 H new ATOM 0 HB3 ASP A 58 3.788 5.076 -14.499 1.00 0.76 H new ATOM 869 N GLY A 59 0.697 7.957 -14.848 1.00 0.85 N ATOM 870 CA GLY A 59 -0.467 8.559 -15.471 1.00 0.90 C ATOM 871 C GLY A 59 -1.619 7.593 -15.681 1.00 0.91 C ATOM 872 O GLY A 59 -2.174 7.517 -16.778 1.00 1.03 O ATOM 0 H GLY A 59 0.631 7.832 -13.838 1.00 0.85 H new ATOM 0 HA2 GLY A 59 -0.809 9.389 -14.853 1.00 0.90 H new ATOM 0 HA3 GLY A 59 -0.176 8.978 -16.434 1.00 0.90 H new ATOM 876 N ASN A 60 -1.980 6.849 -14.645 1.00 0.82 N ATOM 877 CA ASN A 60 -3.092 5.909 -14.747 1.00 0.85 C ATOM 878 C ASN A 60 -3.995 6.012 -13.519 1.00 0.78 C ATOM 879 O ASN A 60 -5.121 5.517 -13.523 1.00 0.93 O ATOM 880 CB ASN A 60 -2.603 4.462 -14.953 1.00 0.88 C ATOM 881 CG ASN A 60 -2.019 3.821 -13.707 1.00 0.93 C ATOM 882 OD1 ASN A 60 -1.504 4.499 -12.816 1.00 1.23 O ATOM 883 ND2 ASN A 60 -2.072 2.500 -13.642 1.00 1.61 N ATOM 0 H ASN A 60 -1.526 6.875 -13.732 1.00 0.82 H new ATOM 0 HA ASN A 60 -3.673 6.180 -15.628 1.00 0.85 H new ATOM 0 HB2 ASN A 60 -3.437 3.855 -15.304 1.00 0.88 H new ATOM 0 HB3 ASN A 60 -1.849 4.453 -15.740 1.00 0.88 H new ATOM 0 HD21 ASN A 60 -1.679 2.013 -12.837 1.00 1.61 H new ATOM 0 HD22 ASN A 60 -2.506 1.969 -14.397 1.00 1.61 H new ATOM 890 N GLY A 61 -3.497 6.667 -12.470 1.00 0.64 N ATOM 891 CA GLY A 61 -4.277 6.842 -11.254 1.00 0.63 C ATOM 892 C GLY A 61 -4.413 5.558 -10.458 1.00 0.58 C ATOM 893 O GLY A 61 -5.368 5.383 -9.704 1.00 0.67 O ATOM 0 H GLY A 61 -2.565 7.080 -12.441 1.00 0.64 H new ATOM 0 HA2 GLY A 61 -3.806 7.603 -10.631 1.00 0.63 H new ATOM 0 HA3 GLY A 61 -5.269 7.211 -11.513 1.00 0.63 H new ATOM 897 N THR A 62 -3.462 4.654 -10.641 1.00 0.53 N ATOM 898 CA THR A 62 -3.462 3.377 -9.949 1.00 0.52 C ATOM 899 C THR A 62 -2.038 2.837 -9.862 1.00 0.49 C ATOM 900 O THR A 62 -1.342 2.741 -10.871 1.00 0.54 O ATOM 901 CB THR A 62 -4.352 2.349 -10.685 1.00 0.58 C ATOM 902 OG1 THR A 62 -5.635 2.922 -10.982 1.00 0.65 O ATOM 903 CG2 THR A 62 -4.541 1.083 -9.863 1.00 0.65 C ATOM 0 H THR A 62 -2.671 4.786 -11.272 1.00 0.53 H new ATOM 0 HA THR A 62 -3.862 3.533 -8.947 1.00 0.52 H new ATOM 0 HB THR A 62 -3.845 2.084 -11.613 1.00 0.58 H new ATOM 0 HG1 THR A 62 -6.188 2.261 -11.449 1.00 0.65 H new ATOM 0 HG21 THR A 62 -5.172 0.384 -10.412 1.00 0.65 H new ATOM 0 HG22 THR A 62 -3.571 0.624 -9.673 1.00 0.65 H new ATOM 0 HG23 THR A 62 -5.016 1.333 -8.914 1.00 0.65 H new ATOM 911 N ILE A 63 -1.594 2.502 -8.662 1.00 0.47 N ATOM 912 CA ILE A 63 -0.247 1.975 -8.494 1.00 0.46 C ATOM 913 C ILE A 63 -0.281 0.459 -8.361 1.00 0.50 C ATOM 914 O ILE A 63 -0.771 -0.082 -7.369 1.00 0.48 O ATOM 915 CB ILE A 63 0.498 2.641 -7.304 1.00 0.43 C ATOM 916 CG1 ILE A 63 1.157 3.936 -7.800 1.00 0.44 C ATOM 917 CG2 ILE A 63 1.525 1.703 -6.661 1.00 0.45 C ATOM 918 CD1 ILE A 63 2.461 4.281 -7.125 1.00 0.42 C ATOM 0 H ILE A 63 -2.135 2.583 -7.801 1.00 0.47 H new ATOM 0 HA ILE A 63 0.321 2.224 -9.390 1.00 0.46 H new ATOM 0 HB ILE A 63 -0.226 2.871 -6.522 1.00 0.43 H new ATOM 0 HG12 ILE A 63 1.331 3.851 -8.873 1.00 0.44 H new ATOM 0 HG13 ILE A 63 0.459 4.761 -7.655 1.00 0.44 H new ATOM 0 HG21 ILE A 63 2.018 2.215 -5.835 1.00 0.45 H new ATOM 0 HG22 ILE A 63 1.020 0.813 -6.286 1.00 0.45 H new ATOM 0 HG23 ILE A 63 2.268 1.413 -7.404 1.00 0.45 H new ATOM 0 HD11 ILE A 63 2.851 5.210 -7.540 1.00 0.42 H new ATOM 0 HD12 ILE A 63 2.295 4.403 -6.055 1.00 0.42 H new ATOM 0 HD13 ILE A 63 3.180 3.479 -7.292 1.00 0.42 H new ATOM 930 N ASP A 64 0.196 -0.211 -9.409 1.00 0.57 N ATOM 931 CA ASP A 64 0.244 -1.665 -9.463 1.00 0.64 C ATOM 932 C ASP A 64 1.497 -2.176 -8.746 1.00 0.65 C ATOM 933 O ASP A 64 2.347 -1.379 -8.333 1.00 0.61 O ATOM 934 CB ASP A 64 0.234 -2.121 -10.930 1.00 0.70 C ATOM 935 CG ASP A 64 0.024 -3.612 -11.103 1.00 0.82 C ATOM 936 OD1 ASP A 64 -0.730 -4.217 -10.310 1.00 0.95 O ATOM 937 OD2 ASP A 64 0.618 -4.193 -12.038 1.00 1.09 O ATOM 0 H ASP A 64 0.561 0.244 -10.246 1.00 0.57 H new ATOM 0 HA ASP A 64 -0.630 -2.078 -8.959 1.00 0.64 H new ATOM 0 HB2 ASP A 64 -0.554 -1.588 -11.462 1.00 0.70 H new ATOM 0 HB3 ASP A 64 1.179 -1.840 -11.395 1.00 0.70 H new ATOM 942 N PHE A 65 1.616 -3.499 -8.630 1.00 0.73 N ATOM 943 CA PHE A 65 2.746 -4.148 -7.951 1.00 0.77 C ATOM 944 C PHE A 65 4.113 -3.562 -8.365 1.00 0.75 C ATOM 945 O PHE A 65 4.891 -3.164 -7.495 1.00 0.75 O ATOM 946 CB PHE A 65 2.716 -5.666 -8.192 1.00 0.88 C ATOM 947 CG PHE A 65 1.707 -6.401 -7.346 1.00 1.13 C ATOM 948 CD1 PHE A 65 0.389 -5.980 -7.282 1.00 1.40 C ATOM 949 CD2 PHE A 65 2.084 -7.515 -6.614 1.00 1.38 C ATOM 950 CE1 PHE A 65 -0.534 -6.653 -6.508 1.00 1.70 C ATOM 951 CE2 PHE A 65 1.165 -8.194 -5.837 1.00 1.68 C ATOM 952 CZ PHE A 65 -0.147 -7.761 -5.784 1.00 1.78 C ATOM 0 H PHE A 65 0.931 -4.156 -9.004 1.00 0.73 H new ATOM 0 HA PHE A 65 2.630 -3.948 -6.886 1.00 0.77 H new ATOM 0 HB2 PHE A 65 2.498 -5.852 -9.244 1.00 0.88 H new ATOM 0 HB3 PHE A 65 3.707 -6.075 -7.995 1.00 0.88 H new ATOM 0 HD1 PHE A 65 0.079 -5.113 -7.846 1.00 1.40 H new ATOM 0 HD2 PHE A 65 3.108 -7.857 -6.651 1.00 1.38 H new ATOM 0 HE1 PHE A 65 -1.558 -6.312 -6.469 1.00 1.70 H new ATOM 0 HE2 PHE A 65 1.471 -9.062 -5.272 1.00 1.68 H new ATOM 0 HZ PHE A 65 -0.867 -8.289 -5.177 1.00 1.78 H new ATOM 962 N PRO A 66 4.441 -3.497 -9.683 1.00 0.76 N ATOM 963 CA PRO A 66 5.728 -2.949 -10.144 1.00 0.78 C ATOM 964 C PRO A 66 5.944 -1.500 -9.714 1.00 0.73 C ATOM 965 O PRO A 66 7.049 -1.111 -9.345 1.00 0.77 O ATOM 966 CB PRO A 66 5.641 -3.041 -11.675 1.00 0.79 C ATOM 967 CG PRO A 66 4.199 -3.213 -11.980 1.00 0.77 C ATOM 968 CD PRO A 66 3.624 -3.966 -10.819 1.00 0.79 C ATOM 0 HA PRO A 66 6.567 -3.499 -9.717 1.00 0.78 H new ATOM 0 HB2 PRO A 66 6.037 -2.141 -12.145 1.00 0.79 H new ATOM 0 HB3 PRO A 66 6.225 -3.881 -12.052 1.00 0.79 H new ATOM 0 HG2 PRO A 66 3.707 -2.248 -12.103 1.00 0.77 H new ATOM 0 HG3 PRO A 66 4.059 -3.763 -12.911 1.00 0.77 H new ATOM 0 HD2 PRO A 66 2.567 -3.742 -10.676 1.00 0.79 H new ATOM 0 HD3 PRO A 66 3.705 -5.044 -10.957 1.00 0.79 H new ATOM 976 N GLU A 67 4.875 -0.706 -9.746 1.00 0.66 N ATOM 977 CA GLU A 67 4.949 0.700 -9.369 1.00 0.62 C ATOM 978 C GLU A 67 5.260 0.833 -7.873 1.00 0.62 C ATOM 979 O GLU A 67 6.066 1.674 -7.459 1.00 0.64 O ATOM 980 CB GLU A 67 3.623 1.398 -9.685 1.00 0.58 C ATOM 981 CG GLU A 67 3.329 1.572 -11.169 1.00 0.60 C ATOM 982 CD GLU A 67 1.865 1.886 -11.431 1.00 0.54 C ATOM 983 OE1 GLU A 67 1.474 3.080 -11.379 1.00 0.52 O ATOM 984 OE2 GLU A 67 1.092 0.946 -11.682 1.00 0.61 O ATOM 0 H GLU A 67 3.946 -1.016 -10.030 1.00 0.66 H new ATOM 0 HA GLU A 67 5.748 1.173 -9.940 1.00 0.62 H new ATOM 0 HB2 GLU A 67 2.812 0.827 -9.233 1.00 0.58 H new ATOM 0 HB3 GLU A 67 3.624 2.380 -9.212 1.00 0.58 H new ATOM 0 HG2 GLU A 67 3.948 2.375 -11.569 1.00 0.60 H new ATOM 0 HG3 GLU A 67 3.605 0.662 -11.701 1.00 0.60 H new ATOM 991 N PHE A 68 4.634 -0.030 -7.081 1.00 0.60 N ATOM 992 CA PHE A 68 4.817 -0.028 -5.637 1.00 0.59 C ATOM 993 C PHE A 68 6.262 -0.353 -5.271 1.00 0.63 C ATOM 994 O PHE A 68 6.813 0.214 -4.321 1.00 0.67 O ATOM 995 CB PHE A 68 3.863 -1.030 -4.986 1.00 0.60 C ATOM 996 CG PHE A 68 3.862 -0.972 -3.484 1.00 0.58 C ATOM 997 CD1 PHE A 68 3.074 -0.050 -2.813 1.00 0.55 C ATOM 998 CD2 PHE A 68 4.653 -1.841 -2.745 1.00 0.71 C ATOM 999 CE1 PHE A 68 3.064 -0.005 -1.431 1.00 0.62 C ATOM 1000 CE2 PHE A 68 4.647 -1.798 -1.365 1.00 0.77 C ATOM 1001 CZ PHE A 68 3.855 -0.875 -0.708 1.00 0.71 C ATOM 0 H PHE A 68 3.990 -0.745 -7.420 1.00 0.60 H new ATOM 0 HA PHE A 68 4.590 0.970 -5.262 1.00 0.59 H new ATOM 0 HB2 PHE A 68 2.852 -0.845 -5.349 1.00 0.60 H new ATOM 0 HB3 PHE A 68 4.136 -2.037 -5.302 1.00 0.60 H new ATOM 0 HD1 PHE A 68 2.462 0.640 -3.375 1.00 0.55 H new ATOM 0 HD2 PHE A 68 5.279 -2.558 -3.255 1.00 0.71 H new ATOM 0 HE1 PHE A 68 2.438 0.710 -0.918 1.00 0.62 H new ATOM 0 HE2 PHE A 68 5.260 -2.484 -0.800 1.00 0.77 H new ATOM 0 HZ PHE A 68 3.855 -0.835 0.371 1.00 0.71 H new ATOM 1011 N LEU A 69 6.876 -1.246 -6.042 1.00 0.66 N ATOM 1012 CA LEU A 69 8.258 -1.654 -5.800 1.00 0.72 C ATOM 1013 C LEU A 69 9.225 -0.481 -5.938 1.00 0.76 C ATOM 1014 O LEU A 69 10.325 -0.513 -5.393 1.00 0.82 O ATOM 1015 CB LEU A 69 8.668 -2.774 -6.760 1.00 0.75 C ATOM 1016 CG LEU A 69 7.868 -4.069 -6.640 1.00 0.79 C ATOM 1017 CD1 LEU A 69 8.228 -5.018 -7.769 1.00 0.82 C ATOM 1018 CD2 LEU A 69 8.115 -4.734 -5.297 1.00 0.90 C ATOM 0 H LEU A 69 6.438 -1.702 -6.842 1.00 0.66 H new ATOM 0 HA LEU A 69 8.310 -2.021 -4.775 1.00 0.72 H new ATOM 0 HB2 LEU A 69 8.577 -2.405 -7.781 1.00 0.75 H new ATOM 0 HB3 LEU A 69 9.721 -3.002 -6.596 1.00 0.75 H new ATOM 0 HG LEU A 69 6.809 -3.823 -6.711 1.00 0.79 H new ATOM 0 HD11 LEU A 69 7.650 -5.937 -7.670 1.00 0.82 H new ATOM 0 HD12 LEU A 69 8.001 -4.548 -8.726 1.00 0.82 H new ATOM 0 HD13 LEU A 69 9.292 -5.252 -7.723 1.00 0.82 H new ATOM 0 HD21 LEU A 69 7.535 -5.654 -5.235 1.00 0.90 H new ATOM 0 HD22 LEU A 69 9.175 -4.966 -5.195 1.00 0.90 H new ATOM 0 HD23 LEU A 69 7.813 -4.059 -4.496 1.00 0.90 H new ATOM 1030 N THR A 70 8.826 0.543 -6.681 1.00 0.75 N ATOM 1031 CA THR A 70 9.668 1.714 -6.865 1.00 0.82 C ATOM 1032 C THR A 70 9.284 2.808 -5.877 1.00 0.78 C ATOM 1033 O THR A 70 10.142 3.485 -5.310 1.00 0.98 O ATOM 1034 CB THR A 70 9.546 2.273 -8.291 1.00 0.89 C ATOM 1035 OG1 THR A 70 9.063 1.260 -9.186 1.00 0.95 O ATOM 1036 CG2 THR A 70 10.886 2.795 -8.777 1.00 1.02 C ATOM 0 H THR A 70 7.928 0.585 -7.163 1.00 0.75 H new ATOM 0 HA THR A 70 10.698 1.401 -6.692 1.00 0.82 H new ATOM 0 HB THR A 70 8.834 3.098 -8.273 1.00 0.89 H new ATOM 0 HG1 THR A 70 8.989 1.631 -10.090 1.00 0.95 H new ATOM 0 HG21 THR A 70 10.779 3.187 -9.789 1.00 1.02 H new ATOM 0 HG22 THR A 70 11.229 3.590 -8.115 1.00 1.02 H new ATOM 0 HG23 THR A 70 11.614 1.984 -8.777 1.00 1.02 H new ATOM 1044 N MET A 71 7.982 2.960 -5.679 1.00 0.69 N ATOM 1045 CA MET A 71 7.434 3.966 -4.772 1.00 0.66 C ATOM 1046 C MET A 71 8.023 3.843 -3.363 1.00 0.66 C ATOM 1047 O MET A 71 8.489 4.825 -2.789 1.00 0.69 O ATOM 1048 CB MET A 71 5.903 3.838 -4.737 1.00 0.67 C ATOM 1049 CG MET A 71 5.235 4.590 -3.596 1.00 0.68 C ATOM 1050 SD MET A 71 5.099 6.356 -3.908 1.00 0.63 S ATOM 1051 CE MET A 71 4.549 6.929 -2.304 1.00 0.67 C ATOM 0 H MET A 71 7.273 2.391 -6.142 1.00 0.69 H new ATOM 0 HA MET A 71 7.708 4.953 -5.145 1.00 0.66 H new ATOM 0 HB2 MET A 71 5.499 4.202 -5.682 1.00 0.67 H new ATOM 0 HB3 MET A 71 5.640 2.783 -4.663 1.00 0.67 H new ATOM 0 HG2 MET A 71 4.240 4.178 -3.429 1.00 0.68 H new ATOM 0 HG3 MET A 71 5.804 4.431 -2.680 1.00 0.68 H new ATOM 0 HE1 MET A 71 3.768 7.678 -2.433 1.00 0.67 H new ATOM 0 HE2 MET A 71 4.155 6.088 -1.733 1.00 0.67 H new ATOM 0 HE3 MET A 71 5.389 7.370 -1.767 1.00 0.67 H new ATOM 1061 N MET A 72 8.034 2.633 -2.818 1.00 0.71 N ATOM 1062 CA MET A 72 8.564 2.415 -1.473 1.00 0.77 C ATOM 1063 C MET A 72 10.055 2.102 -1.497 1.00 0.84 C ATOM 1064 O MET A 72 10.583 1.496 -0.561 1.00 0.99 O ATOM 1065 CB MET A 72 7.801 1.287 -0.776 1.00 0.84 C ATOM 1066 CG MET A 72 6.639 1.768 0.079 1.00 0.79 C ATOM 1067 SD MET A 72 5.419 2.707 -0.858 1.00 0.65 S ATOM 1068 CE MET A 72 4.299 3.221 0.441 1.00 0.64 C ATOM 0 H MET A 72 7.686 1.793 -3.280 1.00 0.71 H new ATOM 0 HA MET A 72 8.427 3.340 -0.913 1.00 0.77 H new ATOM 0 HB2 MET A 72 7.423 0.596 -1.530 1.00 0.84 H new ATOM 0 HB3 MET A 72 8.494 0.726 -0.149 1.00 0.84 H new ATOM 0 HG2 MET A 72 6.153 0.908 0.539 1.00 0.79 H new ATOM 0 HG3 MET A 72 7.023 2.388 0.889 1.00 0.79 H new ATOM 0 HE1 MET A 72 3.311 3.405 0.018 1.00 0.64 H new ATOM 0 HE2 MET A 72 4.231 2.436 1.194 1.00 0.64 H new ATOM 0 HE3 MET A 72 4.672 4.135 0.903 1.00 0.64 H new ATOM 1078 N ALA A 73 10.734 2.513 -2.554 1.00 0.92 N ATOM 1079 CA ALA A 73 12.162 2.269 -2.670 1.00 0.99 C ATOM 1080 C ALA A 73 12.917 3.541 -3.052 1.00 1.02 C ATOM 1081 O ALA A 73 13.985 3.834 -2.519 1.00 1.21 O ATOM 1082 CB ALA A 73 12.412 1.179 -3.696 1.00 1.06 C ATOM 0 H ALA A 73 10.322 3.015 -3.341 1.00 0.92 H new ATOM 0 HA ALA A 73 12.534 1.945 -1.698 1.00 0.99 H new ATOM 0 HB1 ALA A 73 13.484 0.998 -3.781 1.00 1.06 H new ATOM 0 HB2 ALA A 73 11.913 0.262 -3.382 1.00 1.06 H new ATOM 0 HB3 ALA A 73 12.019 1.493 -4.663 1.00 1.06 H new ATOM 1088 N ARG A 74 12.349 4.297 -3.974 1.00 0.99 N ATOM 1089 CA ARG A 74 12.966 5.533 -4.441 1.00 1.04 C ATOM 1090 C ARG A 74 12.578 6.708 -3.542 1.00 0.99 C ATOM 1091 O ARG A 74 11.635 7.444 -3.842 1.00 1.02 O ATOM 1092 CB ARG A 74 12.544 5.828 -5.891 1.00 1.13 C ATOM 1093 CG ARG A 74 13.610 6.537 -6.737 1.00 1.37 C ATOM 1094 CD ARG A 74 13.897 7.952 -6.247 1.00 1.71 C ATOM 1095 NE ARG A 74 12.684 8.763 -6.143 1.00 1.78 N ATOM 1096 CZ ARG A 74 12.389 9.779 -6.950 1.00 2.20 C ATOM 1097 NH1 ARG A 74 13.190 10.080 -7.961 1.00 2.56 N ATOM 1098 NH2 ARG A 74 11.287 10.490 -6.753 1.00 2.56 N ATOM 0 H ARG A 74 11.457 4.078 -4.418 1.00 0.99 H new ATOM 0 HA ARG A 74 14.048 5.405 -4.402 1.00 1.04 H new ATOM 0 HB2 ARG A 74 12.280 4.889 -6.377 1.00 1.13 H new ATOM 0 HB3 ARG A 74 11.644 6.443 -5.875 1.00 1.13 H new ATOM 0 HG2 ARG A 74 14.531 5.955 -6.717 1.00 1.37 H new ATOM 0 HG3 ARG A 74 13.279 6.575 -7.775 1.00 1.37 H new ATOM 0 HD2 ARG A 74 14.384 7.904 -5.273 1.00 1.71 H new ATOM 0 HD3 ARG A 74 14.596 8.435 -6.929 1.00 1.71 H new ATOM 0 HE ARG A 74 12.020 8.535 -5.403 1.00 1.78 H new ATOM 0 HH11 ARG A 74 14.035 9.532 -8.122 1.00 2.56 H new ATOM 0 HH12 ARG A 74 12.962 10.859 -8.578 1.00 2.56 H new ATOM 0 HH21 ARG A 74 10.662 10.259 -5.981 1.00 2.56 H new ATOM 0 HH22 ARG A 74 11.064 11.268 -7.374 1.00 2.56 H new ATOM 1112 N LYS A 75 13.299 6.880 -2.444 1.00 1.13 N ATOM 1113 CA LYS A 75 13.027 7.982 -1.534 1.00 1.20 C ATOM 1114 C LYS A 75 13.903 9.172 -1.894 1.00 1.26 C ATOM 1115 O LYS A 75 14.902 9.021 -2.603 1.00 1.34 O ATOM 1116 CB LYS A 75 13.240 7.562 -0.066 1.00 1.29 C ATOM 1117 CG LYS A 75 14.561 8.028 0.553 1.00 1.61 C ATOM 1118 CD LYS A 75 14.419 8.267 2.051 1.00 1.88 C ATOM 1119 CE LYS A 75 15.693 8.851 2.650 1.00 2.51 C ATOM 1120 NZ LYS A 75 15.478 9.360 4.038 1.00 3.25 N ATOM 0 H LYS A 75 14.071 6.276 -2.163 1.00 1.13 H new ATOM 0 HA LYS A 75 11.981 8.269 -1.638 1.00 1.20 H new ATOM 0 HB2 LYS A 75 12.417 7.954 0.532 1.00 1.29 H new ATOM 0 HB3 LYS A 75 13.190 6.475 -0.003 1.00 1.29 H new ATOM 0 HG2 LYS A 75 15.333 7.279 0.374 1.00 1.61 H new ATOM 0 HG3 LYS A 75 14.889 8.946 0.066 1.00 1.61 H new ATOM 0 HD2 LYS A 75 13.586 8.946 2.234 1.00 1.88 H new ATOM 0 HD3 LYS A 75 14.180 7.327 2.549 1.00 1.88 H new ATOM 0 HE2 LYS A 75 16.471 8.088 2.660 1.00 2.51 H new ATOM 0 HE3 LYS A 75 16.051 9.663 2.018 1.00 2.51 H new ATOM 0 HZ1 LYS A 75 16.277 9.075 4.640 1.00 3.25 H new ATOM 0 HZ2 LYS A 75 15.411 10.398 4.021 1.00 3.25 H new ATOM 0 HZ3 LYS A 75 14.597 8.962 4.421 1.00 3.25 H new ATOM 1134 N MET A 76 13.529 10.348 -1.421 1.00 1.32 N ATOM 1135 CA MET A 76 14.284 11.556 -1.704 1.00 1.43 C ATOM 1136 C MET A 76 15.401 11.746 -0.686 1.00 1.44 C ATOM 1137 O MET A 76 15.233 11.445 0.495 1.00 1.49 O ATOM 1138 CB MET A 76 13.355 12.774 -1.714 1.00 1.57 C ATOM 1139 CG MET A 76 14.024 14.046 -2.207 1.00 1.80 C ATOM 1140 SD MET A 76 14.773 13.842 -3.837 1.00 2.45 S ATOM 1141 CE MET A 76 13.325 13.576 -4.858 1.00 2.59 C ATOM 0 H MET A 76 12.705 10.492 -0.838 1.00 1.32 H new ATOM 0 HA MET A 76 14.736 11.455 -2.690 1.00 1.43 H new ATOM 0 HB2 MET A 76 12.494 12.558 -2.346 1.00 1.57 H new ATOM 0 HB3 MET A 76 12.977 12.940 -0.705 1.00 1.57 H new ATOM 0 HG2 MET A 76 13.288 14.849 -2.246 1.00 1.80 H new ATOM 0 HG3 MET A 76 14.790 14.351 -1.494 1.00 1.80 H new ATOM 0 HE1 MET A 76 13.603 13.646 -5.910 1.00 2.59 H new ATOM 0 HE2 MET A 76 12.915 12.586 -4.657 1.00 2.59 H new ATOM 0 HE3 MET A 76 12.575 14.333 -4.630 1.00 2.59 H new ATOM 1151 N LYS A 77 16.533 12.252 -1.153 1.00 1.50 N ATOM 1152 CA LYS A 77 17.686 12.487 -0.297 1.00 1.56 C ATOM 1153 C LYS A 77 17.516 13.765 0.505 1.00 1.66 C ATOM 1154 O LYS A 77 18.244 14.741 0.315 1.00 2.06 O ATOM 1155 CB LYS A 77 18.961 12.569 -1.129 1.00 1.64 C ATOM 1156 CG LYS A 77 20.025 11.577 -0.691 1.00 1.64 C ATOM 1157 CD LYS A 77 20.455 10.693 -1.842 1.00 1.91 C ATOM 1158 CE LYS A 77 21.336 9.547 -1.378 1.00 2.08 C ATOM 1159 NZ LYS A 77 21.738 8.679 -2.513 1.00 2.45 N ATOM 0 H LYS A 77 16.678 12.510 -2.129 1.00 1.50 H new ATOM 0 HA LYS A 77 17.764 11.648 0.395 1.00 1.56 H new ATOM 0 HB2 LYS A 77 18.716 12.391 -2.176 1.00 1.64 H new ATOM 0 HB3 LYS A 77 19.366 13.579 -1.064 1.00 1.64 H new ATOM 0 HG2 LYS A 77 20.889 12.115 -0.300 1.00 1.64 H new ATOM 0 HG3 LYS A 77 19.639 10.960 0.121 1.00 1.64 H new ATOM 0 HD2 LYS A 77 19.573 10.293 -2.342 1.00 1.91 H new ATOM 0 HD3 LYS A 77 20.994 11.291 -2.577 1.00 1.91 H new ATOM 0 HE2 LYS A 77 22.225 9.945 -0.889 1.00 2.08 H new ATOM 0 HE3 LYS A 77 20.803 8.954 -0.635 1.00 2.08 H new ATOM 0 HZ1 LYS A 77 22.339 7.906 -2.163 1.00 2.45 H new ATOM 0 HZ2 LYS A 77 20.889 8.281 -2.963 1.00 2.45 H new ATOM 0 HZ3 LYS A 77 22.268 9.241 -3.209 1.00 2.45 H new ATOM 1173 N ASP A 78 16.549 13.761 1.392 1.00 1.54 N ATOM 1174 CA ASP A 78 16.287 14.919 2.215 1.00 1.63 C ATOM 1175 C ASP A 78 16.634 14.612 3.666 1.00 1.72 C ATOM 1176 O ASP A 78 16.981 13.478 4.007 1.00 1.77 O ATOM 1177 CB ASP A 78 14.819 15.330 2.075 1.00 1.67 C ATOM 1178 CG ASP A 78 14.619 16.828 2.182 1.00 1.81 C ATOM 1179 OD1 ASP A 78 14.954 17.412 3.239 1.00 2.35 O ATOM 1180 OD2 ASP A 78 14.120 17.438 1.211 1.00 1.95 O ATOM 0 H ASP A 78 15.930 12.968 1.563 1.00 1.54 H new ATOM 0 HA ASP A 78 16.909 15.751 1.885 1.00 1.63 H new ATOM 0 HB2 ASP A 78 14.439 14.985 1.113 1.00 1.67 H new ATOM 0 HB3 ASP A 78 14.231 14.833 2.847 1.00 1.67 H new ATOM 1185 N THR A 79 16.558 15.609 4.515 1.00 1.95 N ATOM 1186 CA THR A 79 16.869 15.430 5.919 1.00 2.15 C ATOM 1187 C THR A 79 15.625 15.006 6.694 1.00 2.00 C ATOM 1188 O THR A 79 15.326 15.529 7.769 1.00 2.13 O ATOM 1189 CB THR A 79 17.454 16.721 6.502 1.00 2.65 C ATOM 1190 OG1 THR A 79 17.313 17.781 5.545 1.00 2.87 O ATOM 1191 CG2 THR A 79 18.925 16.540 6.834 1.00 3.14 C ATOM 0 H THR A 79 16.283 16.557 4.260 1.00 1.95 H new ATOM 0 HA THR A 79 17.614 14.640 6.011 1.00 2.15 H new ATOM 0 HB THR A 79 16.915 16.967 7.417 1.00 2.65 H new ATOM 0 HG1 THR A 79 17.685 18.608 5.916 1.00 2.87 H new ATOM 0 HG21 THR A 79 19.322 17.468 7.247 1.00 3.14 H new ATOM 0 HG22 THR A 79 19.037 15.740 7.566 1.00 3.14 H new ATOM 0 HG23 THR A 79 19.473 16.282 5.928 1.00 3.14 H new ATOM 1199 N ASP A 80 14.905 14.049 6.123 1.00 2.01 N ATOM 1200 CA ASP A 80 13.684 13.520 6.719 1.00 2.07 C ATOM 1201 C ASP A 80 14.020 12.491 7.795 1.00 2.26 C ATOM 1202 O ASP A 80 15.195 12.070 7.877 1.00 2.49 O ATOM 1203 CB ASP A 80 12.799 12.884 5.638 1.00 2.36 C ATOM 1204 CG ASP A 80 13.435 11.654 5.034 1.00 2.79 C ATOM 1205 OD1 ASP A 80 14.380 11.806 4.233 1.00 2.99 O ATOM 1206 OD2 ASP A 80 13.008 10.530 5.366 1.00 3.21 O ATOM 1207 OXT ASP A 80 13.110 12.115 8.566 1.00 2.37 O ATOM 0 H ASP A 80 15.151 13.617 5.232 1.00 2.01 H new ATOM 0 HA ASP A 80 13.139 14.343 7.182 1.00 2.07 H new ATOM 0 HB2 ASP A 80 11.834 12.618 6.070 1.00 2.36 H new ATOM 0 HB3 ASP A 80 12.606 13.614 4.852 1.00 2.36 H new TER 1212 ASP A 80 ATOM 1213 N ARG B 287 2.730 15.548 0.867 1.00 0.99 N ATOM 1214 CA ARG B 287 3.097 14.719 -0.301 1.00 0.79 C ATOM 1215 C ARG B 287 2.596 13.293 -0.123 1.00 0.66 C ATOM 1216 O ARG B 287 2.669 12.740 0.976 1.00 0.65 O ATOM 1217 CB ARG B 287 4.611 14.707 -0.489 1.00 0.87 C ATOM 1218 CG ARG B 287 5.041 14.266 -1.885 1.00 0.86 C ATOM 1219 CD ARG B 287 5.657 15.414 -2.665 1.00 1.18 C ATOM 1220 NE ARG B 287 4.669 16.443 -2.976 1.00 1.77 N ATOM 1221 CZ ARG B 287 4.971 17.672 -3.389 1.00 2.50 C ATOM 1222 NH1 ARG B 287 6.238 18.057 -3.486 1.00 2.87 N ATOM 1223 NH2 ARG B 287 3.992 18.523 -3.673 1.00 3.11 N ATOM 0 HA ARG B 287 2.629 15.152 -1.185 1.00 0.79 H new ATOM 0 HB2 ARG B 287 5.003 15.705 -0.294 1.00 0.87 H new ATOM 0 HB3 ARG B 287 5.057 14.040 0.249 1.00 0.87 H new ATOM 0 HG2 ARG B 287 5.761 13.451 -1.805 1.00 0.86 H new ATOM 0 HG3 ARG B 287 4.179 13.878 -2.427 1.00 0.86 H new ATOM 0 HD2 ARG B 287 6.470 15.852 -2.087 1.00 1.18 H new ATOM 0 HD3 ARG B 287 6.092 15.035 -3.590 1.00 1.18 H new ATOM 0 HE ARG B 287 3.683 16.205 -2.870 1.00 1.77 H new ATOM 0 HH11 ARG B 287 6.988 17.409 -3.243 1.00 2.87 H new ATOM 0 HH12 ARG B 287 6.462 19.000 -3.803 1.00 2.87 H new ATOM 0 HH21 ARG B 287 3.019 18.233 -3.574 1.00 3.11 H new ATOM 0 HH22 ARG B 287 4.213 19.467 -3.990 1.00 3.11 H new ATOM 1239 N ALA B 288 2.084 12.690 -1.190 1.00 0.60 N ATOM 1240 CA ALA B 288 1.583 11.318 -1.126 1.00 0.51 C ATOM 1241 C ALA B 288 2.663 10.356 -0.677 1.00 0.50 C ATOM 1242 O ALA B 288 2.385 9.369 -0.015 1.00 0.48 O ATOM 1243 CB ALA B 288 1.072 10.871 -2.476 1.00 0.54 C ATOM 0 H ALA B 288 2.004 13.126 -2.108 1.00 0.60 H new ATOM 0 HA ALA B 288 0.770 11.310 -0.400 1.00 0.51 H new ATOM 0 HB1 ALA B 288 0.704 9.847 -2.405 1.00 0.54 H new ATOM 0 HB2 ALA B 288 0.261 11.527 -2.794 1.00 0.54 H new ATOM 0 HB3 ALA B 288 1.882 10.916 -3.205 1.00 0.54 H new ATOM 1249 N ALA B 289 3.906 10.675 -1.017 1.00 0.54 N ATOM 1250 CA ALA B 289 5.024 9.818 -0.677 1.00 0.57 C ATOM 1251 C ALA B 289 5.302 9.839 0.818 1.00 0.58 C ATOM 1252 O ALA B 289 6.174 9.122 1.268 1.00 0.65 O ATOM 1253 CB ALA B 289 6.256 10.194 -1.492 1.00 0.65 C ATOM 0 H ALA B 289 4.160 11.521 -1.527 1.00 0.54 H new ATOM 0 HA ALA B 289 4.760 8.792 -0.934 1.00 0.57 H new ATOM 0 HB1 ALA B 289 7.085 9.539 -1.222 1.00 0.65 H new ATOM 0 HB2 ALA B 289 6.037 10.084 -2.554 1.00 0.65 H new ATOM 0 HB3 ALA B 289 6.528 11.229 -1.283 1.00 0.65 H new ATOM 1259 N ASN B 290 4.695 10.784 1.553 1.00 0.56 N ATOM 1260 CA ASN B 290 4.799 10.804 3.030 1.00 0.58 C ATOM 1261 C ASN B 290 3.550 10.204 3.647 1.00 0.53 C ATOM 1262 O ASN B 290 3.607 9.429 4.613 1.00 0.53 O ATOM 1263 CB ASN B 290 5.069 12.220 3.533 1.00 0.66 C ATOM 1264 CG ASN B 290 6.491 12.618 3.199 1.00 0.74 C ATOM 1265 OD1 ASN B 290 6.765 13.134 2.123 1.00 0.76 O ATOM 1266 ND2 ASN B 290 7.418 12.339 4.110 1.00 0.87 N ATOM 0 H ASN B 290 4.132 11.538 1.159 1.00 0.56 H new ATOM 0 HA ASN B 290 5.646 10.191 3.339 1.00 0.58 H new ATOM 0 HB2 ASN B 290 4.369 12.919 3.075 1.00 0.66 H new ATOM 0 HB3 ASN B 290 4.911 12.270 4.610 1.00 0.66 H new ATOM 0 HD21 ASN B 290 8.397 12.555 3.924 1.00 0.87 H new ATOM 0 HD22 ASN B 290 7.150 11.909 4.995 1.00 0.87 H new ATOM 1273 N LEU B 291 2.417 10.552 3.056 1.00 0.51 N ATOM 1274 CA LEU B 291 1.127 10.063 3.502 1.00 0.48 C ATOM 1275 C LEU B 291 1.044 8.572 3.262 1.00 0.46 C ATOM 1276 O LEU B 291 0.623 7.858 4.138 1.00 0.71 O ATOM 1277 CB LEU B 291 -0.022 10.816 2.803 1.00 0.50 C ATOM 1278 CG LEU B 291 -0.703 11.894 3.660 1.00 0.58 C ATOM 1279 CD1 LEU B 291 -1.840 12.564 2.898 1.00 1.37 C ATOM 1280 CD2 LEU B 291 -1.210 11.287 4.957 1.00 1.18 C ATOM 0 H LEU B 291 2.369 11.181 2.255 1.00 0.51 H new ATOM 0 HA LEU B 291 1.023 10.249 4.571 1.00 0.48 H new ATOM 0 HB2 LEU B 291 0.367 11.283 1.898 1.00 0.50 H new ATOM 0 HB3 LEU B 291 -0.774 10.092 2.490 1.00 0.50 H new ATOM 0 HG LEU B 291 0.035 12.661 3.896 1.00 0.58 H new ATOM 0 HD11 LEU B 291 -2.304 13.322 3.529 1.00 1.37 H new ATOM 0 HD12 LEU B 291 -1.447 13.033 1.996 1.00 1.37 H new ATOM 0 HD13 LEU B 291 -2.584 11.816 2.623 1.00 1.37 H new ATOM 0 HD21 LEU B 291 -1.691 12.060 5.557 1.00 1.18 H new ATOM 0 HD22 LEU B 291 -1.931 10.500 4.733 1.00 1.18 H new ATOM 0 HD23 LEU B 291 -0.373 10.865 5.513 1.00 1.18 H new ATOM 1292 N TRP B 292 1.473 8.107 2.091 1.00 0.41 N ATOM 1293 CA TRP B 292 1.478 6.671 1.790 1.00 0.39 C ATOM 1294 C TRP B 292 2.293 5.926 2.857 1.00 0.41 C ATOM 1295 O TRP B 292 1.812 4.950 3.429 1.00 0.41 O ATOM 1296 CB TRP B 292 2.033 6.399 0.384 1.00 0.42 C ATOM 1297 CG TRP B 292 1.036 6.549 -0.721 1.00 0.37 C ATOM 1298 CD1 TRP B 292 -0.031 7.407 -0.790 1.00 0.36 C ATOM 1299 CD2 TRP B 292 1.033 5.810 -1.942 1.00 0.37 C ATOM 1300 NE1 TRP B 292 -0.656 7.275 -2.003 1.00 0.34 N ATOM 1301 CE2 TRP B 292 -0.026 6.298 -2.719 1.00 0.35 C ATOM 1302 CE3 TRP B 292 1.836 4.790 -2.457 1.00 0.40 C ATOM 1303 CZ2 TRP B 292 -0.298 5.809 -3.985 1.00 0.38 C ATOM 1304 CZ3 TRP B 292 1.553 4.297 -3.715 1.00 0.42 C ATOM 1305 CH2 TRP B 292 0.499 4.812 -4.464 1.00 0.42 C ATOM 0 H TRP B 292 1.821 8.698 1.336 1.00 0.41 H new ATOM 0 HA TRP B 292 0.451 6.305 1.808 1.00 0.39 H new ATOM 0 HB2 TRP B 292 2.865 7.078 0.199 1.00 0.42 H new ATOM 0 HB3 TRP B 292 2.436 5.387 0.357 1.00 0.42 H new ATOM 0 HD1 TRP B 292 -0.334 8.085 -0.006 1.00 0.36 H new ATOM 0 HE1 TRP B 292 -1.460 7.818 -2.319 1.00 0.34 H new ATOM 0 HE3 TRP B 292 2.661 4.395 -1.883 1.00 0.40 H new ATOM 0 HZ2 TRP B 292 -1.113 6.204 -4.573 1.00 0.38 H new ATOM 0 HZ3 TRP B 292 2.158 3.501 -4.124 1.00 0.42 H new ATOM 0 HH2 TRP B 292 0.308 4.412 -5.449 1.00 0.42 H new ATOM 1316 N PRO B 293 3.561 6.333 3.103 1.00 0.44 N ATOM 1317 CA PRO B 293 4.386 5.755 4.172 1.00 0.48 C ATOM 1318 C PRO B 293 3.651 5.662 5.507 1.00 0.46 C ATOM 1319 O PRO B 293 3.907 4.755 6.293 1.00 0.47 O ATOM 1320 CB PRO B 293 5.544 6.749 4.246 1.00 0.53 C ATOM 1321 CG PRO B 293 5.736 7.112 2.848 1.00 0.54 C ATOM 1322 CD PRO B 293 4.348 7.277 2.302 1.00 0.49 C ATOM 0 HA PRO B 293 4.684 4.727 3.968 1.00 0.48 H new ATOM 0 HB2 PRO B 293 5.297 7.615 4.860 1.00 0.53 H new ATOM 0 HB3 PRO B 293 6.439 6.299 4.675 1.00 0.53 H new ATOM 0 HG2 PRO B 293 6.311 8.033 2.754 1.00 0.54 H new ATOM 0 HG3 PRO B 293 6.284 6.338 2.310 1.00 0.54 H new ATOM 0 HD2 PRO B 293 3.989 8.300 2.416 1.00 0.49 H new ATOM 0 HD3 PRO B 293 4.302 7.040 1.239 1.00 0.49 H new ATOM 1330 N SER B 294 2.742 6.598 5.758 1.00 0.47 N ATOM 1331 CA SER B 294 1.965 6.587 6.989 1.00 0.47 C ATOM 1332 C SER B 294 1.176 5.259 7.132 1.00 0.42 C ATOM 1333 O SER B 294 1.453 4.510 8.069 1.00 0.40 O ATOM 1334 CB SER B 294 1.068 7.833 7.081 1.00 0.53 C ATOM 1335 OG SER B 294 1.813 8.964 7.514 1.00 0.95 O ATOM 0 H SER B 294 2.527 7.370 5.127 1.00 0.47 H new ATOM 0 HA SER B 294 2.648 6.634 7.837 1.00 0.47 H new ATOM 0 HB2 SER B 294 0.622 8.037 6.108 1.00 0.53 H new ATOM 0 HB3 SER B 294 0.248 7.645 7.774 1.00 0.53 H new ATOM 0 HG SER B 294 1.223 9.745 7.564 1.00 0.95 H new ATOM 1341 N PRO B 295 0.180 4.924 6.254 1.00 0.44 N ATOM 1342 CA PRO B 295 -0.522 3.629 6.338 1.00 0.43 C ATOM 1343 C PRO B 295 0.435 2.433 6.361 1.00 0.40 C ATOM 1344 O PRO B 295 0.163 1.420 7.001 1.00 0.43 O ATOM 1345 CB PRO B 295 -1.351 3.600 5.054 1.00 0.50 C ATOM 1346 CG PRO B 295 -1.642 5.015 4.769 1.00 0.54 C ATOM 1347 CD PRO B 295 -0.426 5.767 5.213 1.00 0.53 C ATOM 0 HA PRO B 295 -1.103 3.548 7.256 1.00 0.43 H new ATOM 0 HB2 PRO B 295 -0.800 3.136 4.236 1.00 0.50 H new ATOM 0 HB3 PRO B 295 -2.268 3.025 5.187 1.00 0.50 H new ATOM 0 HG2 PRO B 295 -1.835 5.171 3.707 1.00 0.54 H new ATOM 0 HG3 PRO B 295 -2.529 5.350 5.306 1.00 0.54 H new ATOM 0 HD2 PRO B 295 0.263 5.928 4.384 1.00 0.53 H new ATOM 0 HD3 PRO B 295 -0.690 6.750 5.604 1.00 0.53 H new ATOM 1355 N LEU B 296 1.554 2.555 5.656 1.00 0.38 N ATOM 1356 CA LEU B 296 2.545 1.493 5.611 1.00 0.37 C ATOM 1357 C LEU B 296 3.183 1.329 6.988 1.00 0.39 C ATOM 1358 O LEU B 296 3.428 0.213 7.450 1.00 0.43 O ATOM 1359 CB LEU B 296 3.606 1.791 4.552 1.00 0.38 C ATOM 1360 CG LEU B 296 4.455 0.588 4.152 1.00 0.43 C ATOM 1361 CD1 LEU B 296 3.711 -0.302 3.164 1.00 0.46 C ATOM 1362 CD2 LEU B 296 5.784 1.044 3.575 1.00 0.56 C ATOM 0 H LEU B 296 1.795 3.381 5.108 1.00 0.38 H new ATOM 0 HA LEU B 296 2.054 0.559 5.337 1.00 0.37 H new ATOM 0 HB2 LEU B 296 3.113 2.184 3.663 1.00 0.38 H new ATOM 0 HB3 LEU B 296 4.264 2.576 4.925 1.00 0.38 H new ATOM 0 HG LEU B 296 4.653 -0.002 5.047 1.00 0.43 H new ATOM 0 HD11 LEU B 296 4.339 -1.152 2.896 1.00 0.46 H new ATOM 0 HD12 LEU B 296 2.789 -0.662 3.621 1.00 0.46 H new ATOM 0 HD13 LEU B 296 3.472 0.270 2.267 1.00 0.46 H new ATOM 0 HD21 LEU B 296 6.377 0.173 3.295 1.00 0.56 H new ATOM 0 HD22 LEU B 296 5.606 1.660 2.694 1.00 0.56 H new ATOM 0 HD23 LEU B 296 6.324 1.626 4.322 1.00 0.56 H new ATOM 1374 N MET B 297 3.412 2.454 7.647 1.00 0.39 N ATOM 1375 CA MET B 297 3.986 2.470 8.983 1.00 0.42 C ATOM 1376 C MET B 297 2.981 1.864 9.954 1.00 0.41 C ATOM 1377 O MET B 297 3.339 1.118 10.872 1.00 0.45 O ATOM 1378 CB MET B 297 4.337 3.910 9.381 1.00 0.45 C ATOM 1379 CG MET B 297 4.810 4.058 10.816 1.00 0.81 C ATOM 1380 SD MET B 297 5.405 5.723 11.178 1.00 1.30 S ATOM 1381 CE MET B 297 5.415 5.693 12.967 1.00 1.79 C ATOM 0 H MET B 297 3.206 3.380 7.272 1.00 0.39 H new ATOM 0 HA MET B 297 4.903 1.882 9.007 1.00 0.42 H new ATOM 0 HB2 MET B 297 5.115 4.281 8.713 1.00 0.45 H new ATOM 0 HB3 MET B 297 3.461 4.541 9.232 1.00 0.45 H new ATOM 0 HG2 MET B 297 3.991 3.813 11.492 1.00 0.81 H new ATOM 0 HG3 MET B 297 5.608 3.341 11.008 1.00 0.81 H new ATOM 0 HE1 MET B 297 5.761 6.655 13.345 1.00 1.79 H new ATOM 0 HE2 MET B 297 4.407 5.500 13.333 1.00 1.79 H new ATOM 0 HE3 MET B 297 6.084 4.905 13.314 1.00 1.79 H new ATOM 1391 N ILE B 298 1.715 2.188 9.726 1.00 0.41 N ATOM 1392 CA ILE B 298 0.624 1.654 10.531 1.00 0.43 C ATOM 1393 C ILE B 298 0.518 0.155 10.277 1.00 0.44 C ATOM 1394 O ILE B 298 0.234 -0.625 11.184 1.00 0.47 O ATOM 1395 CB ILE B 298 -0.723 2.344 10.196 1.00 0.45 C ATOM 1396 CG1 ILE B 298 -0.590 3.866 10.317 1.00 0.47 C ATOM 1397 CG2 ILE B 298 -1.834 1.832 11.099 1.00 0.50 C ATOM 1398 CD1 ILE B 298 -0.466 4.376 11.742 1.00 0.46 C ATOM 0 H ILE B 298 1.417 2.822 8.985 1.00 0.41 H new ATOM 0 HA ILE B 298 0.837 1.847 11.582 1.00 0.43 H new ATOM 0 HB ILE B 298 -0.984 2.099 9.166 1.00 0.45 H new ATOM 0 HG12 ILE B 298 0.285 4.188 9.752 1.00 0.47 H new ATOM 0 HG13 ILE B 298 -1.459 4.332 9.852 1.00 0.47 H new ATOM 0 HG21 ILE B 298 -2.769 2.331 10.844 1.00 0.50 H new ATOM 0 HG22 ILE B 298 -1.948 0.757 10.962 1.00 0.50 H new ATOM 0 HG23 ILE B 298 -1.583 2.041 12.139 1.00 0.50 H new ATOM 0 HD11 ILE B 298 -0.377 5.462 11.733 1.00 0.46 H new ATOM 0 HD12 ILE B 298 -1.351 4.089 12.309 1.00 0.46 H new ATOM 0 HD13 ILE B 298 0.419 3.943 12.208 1.00 0.46 H new ATOM 1410 N LYS B 299 0.768 -0.238 9.031 1.00 0.42 N ATOM 1411 CA LYS B 299 0.744 -1.641 8.644 1.00 0.45 C ATOM 1412 C LYS B 299 1.839 -2.389 9.387 1.00 0.45 C ATOM 1413 O LYS B 299 1.672 -3.543 9.761 1.00 0.51 O ATOM 1414 CB LYS B 299 0.932 -1.799 7.125 1.00 0.45 C ATOM 1415 CG LYS B 299 0.402 -3.125 6.573 1.00 0.44 C ATOM 1416 CD LYS B 299 1.443 -3.893 5.761 1.00 0.45 C ATOM 1417 CE LYS B 299 2.636 -4.285 6.603 1.00 0.45 C ATOM 1418 NZ LYS B 299 3.911 -4.043 5.890 1.00 0.49 N ATOM 0 H LYS B 299 0.991 0.402 8.269 1.00 0.42 H new ATOM 0 HA LYS B 299 -0.228 -2.059 8.907 1.00 0.45 H new ATOM 0 HB2 LYS B 299 0.427 -0.977 6.618 1.00 0.45 H new ATOM 0 HB3 LYS B 299 1.993 -1.715 6.889 1.00 0.45 H new ATOM 0 HG2 LYS B 299 0.064 -3.748 7.401 1.00 0.44 H new ATOM 0 HG3 LYS B 299 -0.468 -2.929 5.946 1.00 0.44 H new ATOM 0 HD2 LYS B 299 0.986 -4.788 5.339 1.00 0.45 H new ATOM 0 HD3 LYS B 299 1.775 -3.280 4.923 1.00 0.45 H new ATOM 0 HE2 LYS B 299 2.626 -3.719 7.534 1.00 0.45 H new ATOM 0 HE3 LYS B 299 2.563 -5.339 6.870 1.00 0.45 H new ATOM 0 HZ1 LYS B 299 4.662 -3.842 6.581 1.00 0.49 H new ATOM 0 HZ2 LYS B 299 4.166 -4.887 5.338 1.00 0.49 H new ATOM 0 HZ3 LYS B 299 3.802 -3.230 5.250 1.00 0.49 H new ATOM 1432 N ARG B 300 2.967 -1.714 9.591 1.00 0.43 N ATOM 1433 CA ARG B 300 4.088 -2.295 10.317 1.00 0.47 C ATOM 1434 C ARG B 300 3.712 -2.472 11.776 1.00 0.50 C ATOM 1435 O ARG B 300 4.048 -3.475 12.404 1.00 0.54 O ATOM 1436 CB ARG B 300 5.325 -1.402 10.195 1.00 0.48 C ATOM 1437 CG ARG B 300 6.147 -1.678 8.950 1.00 1.11 C ATOM 1438 CD ARG B 300 7.448 -2.376 9.294 1.00 1.25 C ATOM 1439 NE ARG B 300 8.146 -2.834 8.097 1.00 1.44 N ATOM 1440 CZ ARG B 300 9.465 -2.730 7.914 1.00 1.91 C ATOM 1441 NH1 ARG B 300 10.241 -2.214 8.865 1.00 2.30 N ATOM 1442 NH2 ARG B 300 10.017 -3.155 6.783 1.00 2.44 N ATOM 0 H ARG B 300 3.127 -0.762 9.262 1.00 0.43 H new ATOM 0 HA ARG B 300 4.323 -3.268 9.886 1.00 0.47 H new ATOM 0 HB2 ARG B 300 5.011 -0.358 10.190 1.00 0.48 H new ATOM 0 HB3 ARG B 300 5.953 -1.542 11.075 1.00 0.48 H new ATOM 0 HG2 ARG B 300 5.571 -2.296 8.261 1.00 1.11 H new ATOM 0 HG3 ARG B 300 6.359 -0.740 8.436 1.00 1.11 H new ATOM 0 HD2 ARG B 300 8.090 -1.695 9.852 1.00 1.25 H new ATOM 0 HD3 ARG B 300 7.244 -3.226 9.945 1.00 1.25 H new ATOM 0 HE ARG B 300 7.592 -3.260 7.354 1.00 1.44 H new ATOM 0 HH11 ARG B 300 9.829 -1.894 9.742 1.00 2.30 H new ATOM 0 HH12 ARG B 300 11.247 -2.138 8.717 1.00 2.30 H new ATOM 0 HH21 ARG B 300 9.433 -3.562 6.052 1.00 2.44 H new ATOM 0 HH22 ARG B 300 11.024 -3.075 6.645 1.00 2.44 H new ATOM 1456 N SER B 301 2.979 -1.500 12.299 1.00 0.50 N ATOM 1457 CA SER B 301 2.538 -1.533 13.679 1.00 0.55 C ATOM 1458 C SER B 301 1.487 -2.627 13.877 1.00 0.59 C ATOM 1459 O SER B 301 1.431 -3.270 14.925 1.00 0.66 O ATOM 1460 CB SER B 301 1.989 -0.156 14.071 1.00 0.56 C ATOM 1461 OG SER B 301 2.955 0.867 13.843 1.00 0.59 O ATOM 0 H SER B 301 2.677 -0.675 11.781 1.00 0.50 H new ATOM 0 HA SER B 301 3.383 -1.768 14.326 1.00 0.55 H new ATOM 0 HB2 SER B 301 1.088 0.056 13.496 1.00 0.56 H new ATOM 0 HB3 SER B 301 1.702 -0.162 15.123 1.00 0.56 H new ATOM 0 HG SER B 301 3.090 0.981 12.879 1.00 0.59 H new ATOM 1467 N LYS B 302 0.675 -2.850 12.850 1.00 0.58 N ATOM 1468 CA LYS B 302 -0.351 -3.879 12.891 1.00 0.65 C ATOM 1469 C LYS B 302 0.296 -5.244 12.684 1.00 0.68 C ATOM 1470 O LYS B 302 -0.146 -6.249 13.230 1.00 0.76 O ATOM 1471 CB LYS B 302 -1.410 -3.619 11.816 1.00 0.66 C ATOM 1472 CG LYS B 302 -2.430 -4.744 11.684 1.00 1.21 C ATOM 1473 CD LYS B 302 -3.257 -4.920 12.958 1.00 1.38 C ATOM 1474 CE LYS B 302 -3.836 -6.323 13.069 1.00 2.10 C ATOM 1475 NZ LYS B 302 -2.810 -7.313 13.492 1.00 2.44 N ATOM 0 H LYS B 302 0.710 -2.327 11.975 1.00 0.58 H new ATOM 0 HA LYS B 302 -0.843 -3.859 13.863 1.00 0.65 H new ATOM 0 HB2 LYS B 302 -1.932 -2.691 12.048 1.00 0.66 H new ATOM 0 HB3 LYS B 302 -0.914 -3.474 10.856 1.00 0.66 H new ATOM 0 HG2 LYS B 302 -3.095 -4.534 10.846 1.00 1.21 H new ATOM 0 HG3 LYS B 302 -1.914 -5.676 11.455 1.00 1.21 H new ATOM 0 HD2 LYS B 302 -2.632 -4.715 13.828 1.00 1.38 H new ATOM 0 HD3 LYS B 302 -4.067 -4.191 12.969 1.00 1.38 H new ATOM 0 HE2 LYS B 302 -4.657 -6.322 13.786 1.00 2.10 H new ATOM 0 HE3 LYS B 302 -4.254 -6.621 12.107 1.00 2.10 H new ATOM 0 HZ1 LYS B 302 -3.126 -8.271 13.237 1.00 2.44 H new ATOM 0 HZ2 LYS B 302 -1.910 -7.106 13.014 1.00 2.44 H new ATOM 0 HZ3 LYS B 302 -2.676 -7.256 14.522 1.00 2.44 H new ATOM 1489 N LYS B 303 1.356 -5.263 11.889 1.00 0.62 N ATOM 1490 CA LYS B 303 2.089 -6.489 11.622 1.00 0.65 C ATOM 1491 C LYS B 303 2.782 -6.946 12.898 1.00 0.72 C ATOM 1492 O LYS B 303 2.936 -8.139 13.151 1.00 0.82 O ATOM 1493 CB LYS B 303 3.107 -6.254 10.507 1.00 0.58 C ATOM 1494 CG LYS B 303 3.252 -7.418 9.546 1.00 0.55 C ATOM 1495 CD LYS B 303 4.469 -8.268 9.871 1.00 0.66 C ATOM 1496 CE LYS B 303 4.616 -9.431 8.899 1.00 0.77 C ATOM 1497 NZ LYS B 303 5.058 -8.983 7.553 1.00 0.70 N ATOM 0 H LYS B 303 1.728 -4.439 11.417 1.00 0.62 H new ATOM 0 HA LYS B 303 1.400 -7.268 11.296 1.00 0.65 H new ATOM 0 HB2 LYS B 303 2.816 -5.367 9.945 1.00 0.58 H new ATOM 0 HB3 LYS B 303 4.078 -6.043 10.955 1.00 0.58 H new ATOM 0 HG2 LYS B 303 2.355 -8.036 9.586 1.00 0.55 H new ATOM 0 HG3 LYS B 303 3.334 -7.040 8.527 1.00 0.55 H new ATOM 0 HD2 LYS B 303 5.366 -7.649 9.837 1.00 0.66 H new ATOM 0 HD3 LYS B 303 4.385 -8.651 10.888 1.00 0.66 H new ATOM 0 HE2 LYS B 303 5.336 -10.146 9.297 1.00 0.77 H new ATOM 0 HE3 LYS B 303 3.663 -9.953 8.812 1.00 0.77 H new ATOM 0 HZ1 LYS B 303 4.359 -9.278 6.842 1.00 0.70 H new ATOM 0 HZ2 LYS B 303 5.145 -7.947 7.543 1.00 0.70 H new ATOM 0 HZ3 LYS B 303 5.980 -9.410 7.330 1.00 0.70 H new ATOM 1511 N ASN B 304 3.192 -5.974 13.697 1.00 0.69 N ATOM 1512 CA ASN B 304 3.852 -6.230 14.963 1.00 0.78 C ATOM 1513 C ASN B 304 2.820 -6.626 16.018 1.00 0.88 C ATOM 1514 O ASN B 304 3.074 -7.473 16.874 1.00 1.04 O ATOM 1515 CB ASN B 304 4.616 -4.976 15.390 1.00 0.78 C ATOM 1516 CG ASN B 304 5.261 -5.105 16.759 1.00 0.92 C ATOM 1517 OD1 ASN B 304 4.634 -4.820 17.777 1.00 1.13 O ATOM 1518 ND2 ASN B 304 6.521 -5.513 16.793 1.00 1.16 N ATOM 0 H ASN B 304 3.075 -4.983 13.484 1.00 0.69 H new ATOM 0 HA ASN B 304 4.557 -7.054 14.855 1.00 0.78 H new ATOM 0 HB2 ASN B 304 5.387 -4.759 14.651 1.00 0.78 H new ATOM 0 HB3 ASN B 304 3.933 -4.127 15.396 1.00 0.78 H new ATOM 0 HD21 ASN B 304 7.005 -5.600 17.687 1.00 1.16 H new ATOM 0 HD22 ASN B 304 7.007 -5.740 15.926 1.00 1.16 H new ATOM 1525 N SER B 305 1.647 -6.008 15.935 1.00 0.82 N ATOM 1526 CA SER B 305 0.560 -6.280 16.860 1.00 0.93 C ATOM 1527 C SER B 305 -0.332 -7.400 16.317 1.00 1.13 C ATOM 1528 O SER B 305 0.072 -8.580 16.424 1.00 1.39 O ATOM 1529 CB SER B 305 -0.247 -4.998 17.094 1.00 0.87 C ATOM 1530 OG SER B 305 -0.923 -5.037 18.338 1.00 1.00 O ATOM 1531 OXT SER B 305 -1.425 -7.098 15.786 1.00 1.26 O ATOM 0 H SER B 305 1.426 -5.308 15.227 1.00 0.82 H new ATOM 0 HA SER B 305 0.970 -6.612 17.814 1.00 0.93 H new ATOM 0 HB2 SER B 305 0.419 -4.136 17.066 1.00 0.87 H new ATOM 0 HB3 SER B 305 -0.970 -4.868 16.288 1.00 0.87 H new ATOM 0 HG SER B 305 -1.428 -4.207 18.462 1.00 1.00 H new TER 1537 SER B 305 HETATM 1538 CA CA A 181 -8.193 -2.278 -4.028 1.00 0.45 CA HETATM 1539 CA CA A 182 0.513 4.395 -11.979 1.00 0.54 CA