USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 786 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 49 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 48 GLN : amide:sc= -0.0425 K(o=-0.042,f=-0.71) USER MOD Set 2.1: B 34 GLN : amide:sc= 0.995 X(o=1.8,f=1.8) USER MOD Set 2.2: B 38 TYR OH : rot 165:sc= 0.807 USER MOD Set 3.1: B 35 THR OG1 : rot 163:sc= 1.32 USER MOD Set 3.2: B 36 LYS NZ :NH3+ -154:sc= 1.22 (180deg=1.13) USER MOD Set 4.1: A 48 GLN : amide:sc= 0.254 K(o=1.4,f=0.2) USER MOD Set 4.2: B 49 TYR OH : rot 173:sc= 1.16 USER MOD Set 5.1: A 34 GLN : amide:sc= 0.244 X(o=0.77,f=0.92) USER MOD Set 5.2: A 38 TYR OH : rot 180:sc= 0.527 USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.0644 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 107:sc= 1.24 USER MOD Single : A 15 SER OG : rot 165:sc= 1.27 USER MOD Single : A 16 GLN : amide:sc= -0.445 X(o=-0.44,f=-0.28) USER MOD Single : A 17 MET CE :methyl -176:sc= 0 (180deg=-0.0312) USER MOD Single : A 19 SER OG : rot 76:sc= 1.25 USER MOD Single : A 20 MET CE :methyl -163:sc= -0.0334 (180deg=-0.325) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0079 USER MOD Single : A 30 THR OG1 : rot -24:sc= 0.144 USER MOD Single : A 35 THR OG1 : rot 142:sc= 1.09 USER MOD Single : A 36 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.18) USER MOD Single : A 37 ASN : amide:sc= -0.594 K(o=-0.59,f=-2.7) USER MOD Single : A 46 THR OG1 : rot 68:sc= 1.28 USER MOD Single : A 50 SER OG : rot -62:sc= 0.775 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 1 GLY N :NH3+ -138:sc= 0.0786 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 13 SER OG : rot 101:sc= 1.24 USER MOD Single : B 15 SER OG : rot 179:sc= 1.17 USER MOD Single : B 16 GLN : amide:sc= -0.183 K(o=-0.18,f=-0.78) USER MOD Single : B 17 MET CE :methyl -129:sc= 0 (180deg=-0.102) USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 MET CE :methyl -132:sc= -0.134 (180deg=-0.744) USER MOD Single : B 23 SER OG : rot 180:sc= -0.233 USER MOD Single : B 30 THR OG1 : rot -27:sc= 0.161 USER MOD Single : B 37 ASN : amide:sc= -0.7 K(o=-0.7,f=-3.5!) USER MOD Single : B 46 THR OG1 : rot 40:sc= 1.23 USER MOD Single : B 50 SER OG : rot 67:sc= 0.337 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.571 19.473 -3.225 1.00 10.00 N ATOM 2 CA GLY A 1 19.671 18.526 -3.533 1.00 10.00 C ATOM 3 C GLY A 1 20.095 17.752 -2.306 1.00 10.00 C ATOM 4 O GLY A 1 19.889 18.208 -1.182 1.00 10.00 O ATOM 0 H1 GLY A 1 18.780 20.399 -3.651 1.00 10.00 H new ATOM 0 H2 GLY A 1 17.679 19.107 -3.614 1.00 10.00 H new ATOM 0 H3 GLY A 1 18.482 19.578 -2.194 1.00 10.00 H new ATOM 0 HA2 GLY A 1 19.348 17.832 -4.309 1.00 10.00 H new ATOM 0 HA3 GLY A 1 20.524 19.075 -3.931 1.00 10.00 H new ATOM 10 N SER A 2 20.681 16.582 -2.515 1.00 10.00 N ATOM 11 CA SER A 2 21.129 15.742 -1.417 1.00 10.00 C ATOM 12 C SER A 2 22.536 16.143 -0.960 1.00 10.00 C ATOM 13 O SER A 2 23.507 15.989 -1.709 1.00 10.00 O ATOM 14 CB SER A 2 21.104 14.279 -1.852 1.00 10.00 C ATOM 15 OG SER A 2 19.931 14.008 -2.609 1.00 10.00 O ATOM 0 H SER A 2 20.857 16.192 -3.441 1.00 10.00 H new ATOM 0 HA SER A 2 20.454 15.877 -0.572 1.00 10.00 H new ATOM 0 HB2 SER A 2 21.989 14.055 -2.447 1.00 10.00 H new ATOM 0 HB3 SER A 2 21.137 13.632 -0.976 1.00 10.00 H new ATOM 0 HG SER A 2 19.929 13.067 -2.883 1.00 10.00 H new ATOM 21 N PRO A 3 22.660 16.681 0.266 1.00 10.00 N ATOM 22 CA PRO A 3 23.950 17.106 0.818 1.00 10.00 C ATOM 23 C PRO A 3 24.889 15.923 1.068 1.00 10.00 C ATOM 24 O PRO A 3 24.441 14.778 1.168 1.00 10.00 O ATOM 25 CB PRO A 3 23.579 17.785 2.147 1.00 10.00 C ATOM 26 CG PRO A 3 22.108 18.011 2.083 1.00 10.00 C ATOM 27 CD PRO A 3 21.559 16.924 1.209 1.00 10.00 C ATOM 0 HA PRO A 3 24.486 17.761 0.131 1.00 10.00 H new ATOM 0 HB2 PRO A 3 23.842 17.155 2.996 1.00 10.00 H new ATOM 0 HB3 PRO A 3 24.115 18.726 2.270 1.00 10.00 H new ATOM 0 HG2 PRO A 3 21.664 17.973 3.078 1.00 10.00 H new ATOM 0 HG3 PRO A 3 21.882 18.994 1.671 1.00 10.00 H new ATOM 0 HD2 PRO A 3 21.312 16.030 1.782 1.00 10.00 H new ATOM 0 HD3 PRO A 3 20.649 17.237 0.697 1.00 10.00 H new ATOM 35 N PRO A 4 26.204 16.187 1.205 1.00 10.00 N ATOM 36 CA PRO A 4 27.213 15.142 1.446 1.00 10.00 C ATOM 37 C PRO A 4 27.039 14.451 2.799 1.00 10.00 C ATOM 38 O PRO A 4 27.750 13.495 3.116 1.00 10.00 O ATOM 39 CB PRO A 4 28.545 15.902 1.415 1.00 10.00 C ATOM 40 CG PRO A 4 28.241 17.213 0.773 1.00 10.00 C ATOM 41 CD PRO A 4 26.819 17.522 1.125 1.00 10.00 C ATOM 0 HA PRO A 4 27.140 14.346 0.705 1.00 10.00 H new ATOM 0 HB2 PRO A 4 28.941 16.040 2.421 1.00 10.00 H new ATOM 0 HB3 PRO A 4 29.297 15.353 0.849 1.00 10.00 H new ATOM 0 HG2 PRO A 4 28.912 17.991 1.137 1.00 10.00 H new ATOM 0 HG3 PRO A 4 28.373 17.159 -0.308 1.00 10.00 H new ATOM 0 HD2 PRO A 4 26.744 18.059 2.071 1.00 10.00 H new ATOM 0 HD3 PRO A 4 26.341 18.143 0.367 1.00 10.00 H new ATOM 49 N GLU A 5 26.092 14.945 3.593 1.00 10.00 N ATOM 50 CA GLU A 5 25.818 14.379 4.909 1.00 10.00 C ATOM 51 C GLU A 5 24.956 13.125 4.785 1.00 10.00 C ATOM 52 O GLU A 5 24.931 12.287 5.684 1.00 10.00 O ATOM 53 CB GLU A 5 25.111 15.400 5.801 1.00 10.00 C ATOM 54 CG GLU A 5 25.846 16.723 5.922 1.00 10.00 C ATOM 55 CD GLU A 5 27.324 16.545 6.192 1.00 10.00 C ATOM 56 OE1 GLU A 5 27.690 15.661 6.991 1.00 10.00 O ATOM 57 OE2 GLU A 5 28.129 17.292 5.599 1.00 10.00 O ATOM 0 H GLU A 5 25.501 15.738 3.346 1.00 10.00 H new ATOM 0 HA GLU A 5 26.772 14.112 5.364 1.00 10.00 H new ATOM 0 HB2 GLU A 5 24.113 15.585 5.404 1.00 10.00 H new ATOM 0 HB3 GLU A 5 24.985 14.973 6.796 1.00 10.00 H new ATOM 0 HG2 GLU A 5 25.715 17.293 5.002 1.00 10.00 H new ATOM 0 HG3 GLU A 5 25.401 17.309 6.726 1.00 10.00 H new ATOM 64 N ALA A 6 24.257 13.010 3.666 1.00 10.00 N ATOM 65 CA ALA A 6 23.393 11.868 3.416 1.00 10.00 C ATOM 66 C ALA A 6 24.217 10.663 2.985 1.00 10.00 C ATOM 67 O ALA A 6 25.114 10.783 2.148 1.00 10.00 O ATOM 68 CB ALA A 6 22.358 12.217 2.357 1.00 10.00 C ATOM 0 H ALA A 6 24.272 13.698 2.913 1.00 10.00 H new ATOM 0 HA ALA A 6 22.872 11.613 4.339 1.00 10.00 H new ATOM 0 HB1 ALA A 6 21.716 11.355 2.177 1.00 10.00 H new ATOM 0 HB2 ALA A 6 21.752 13.055 2.703 1.00 10.00 H new ATOM 0 HB3 ALA A 6 22.863 12.492 1.431 1.00 10.00 H new ATOM 74 N ASP A 7 23.928 9.511 3.576 1.00 10.00 N ATOM 75 CA ASP A 7 24.644 8.284 3.244 1.00 10.00 C ATOM 76 C ASP A 7 24.261 7.819 1.841 1.00 10.00 C ATOM 77 O ASP A 7 23.075 7.643 1.539 1.00 10.00 O ATOM 78 CB ASP A 7 24.344 7.186 4.269 1.00 10.00 C ATOM 79 CG ASP A 7 25.160 5.929 4.030 1.00 10.00 C ATOM 80 OD1 ASP A 7 24.773 5.117 3.165 1.00 10.00 O ATOM 81 OD2 ASP A 7 26.193 5.752 4.705 1.00 10.00 O ATOM 0 H ASP A 7 23.205 9.399 4.286 1.00 10.00 H new ATOM 0 HA ASP A 7 25.714 8.490 3.269 1.00 10.00 H new ATOM 0 HB2 ASP A 7 24.549 7.563 5.271 1.00 10.00 H new ATOM 0 HB3 ASP A 7 23.283 6.939 4.232 1.00 10.00 H new ATOM 86 N PRO A 8 25.269 7.607 0.972 1.00 10.00 N ATOM 87 CA PRO A 8 25.061 7.193 -0.427 1.00 10.00 C ATOM 88 C PRO A 8 24.361 5.846 -0.579 1.00 10.00 C ATOM 89 O PRO A 8 23.772 5.573 -1.616 1.00 10.00 O ATOM 90 CB PRO A 8 26.488 7.106 -0.993 1.00 10.00 C ATOM 91 CG PRO A 8 27.359 6.947 0.202 1.00 10.00 C ATOM 92 CD PRO A 8 26.703 7.758 1.277 1.00 10.00 C ATOM 0 HA PRO A 8 24.408 7.898 -0.942 1.00 10.00 H new ATOM 0 HB2 PRO A 8 26.593 6.262 -1.675 1.00 10.00 H new ATOM 0 HB3 PRO A 8 26.747 8.003 -1.555 1.00 10.00 H new ATOM 0 HG2 PRO A 8 27.441 5.900 0.493 1.00 10.00 H new ATOM 0 HG3 PRO A 8 28.370 7.302 0.002 1.00 10.00 H new ATOM 0 HD2 PRO A 8 26.946 7.384 2.271 1.00 10.00 H new ATOM 0 HD3 PRO A 8 27.016 8.802 1.244 1.00 10.00 H new ATOM 100 N ARG A 9 24.423 5.005 0.445 1.00 10.00 N ATOM 101 CA ARG A 9 23.793 3.692 0.383 1.00 10.00 C ATOM 102 C ARG A 9 22.386 3.738 0.962 1.00 10.00 C ATOM 103 O ARG A 9 21.462 3.131 0.418 1.00 10.00 O ATOM 104 CB ARG A 9 24.641 2.665 1.135 1.00 10.00 C ATOM 105 CG ARG A 9 26.048 2.519 0.583 1.00 10.00 C ATOM 106 CD ARG A 9 27.030 2.115 1.669 1.00 10.00 C ATOM 107 NE ARG A 9 27.189 3.158 2.685 1.00 10.00 N ATOM 108 CZ ARG A 9 28.320 3.379 3.355 1.00 10.00 C ATOM 109 NH1 ARG A 9 29.401 2.645 3.117 1.00 10.00 N ATOM 110 NH2 ARG A 9 28.369 4.343 4.264 1.00 10.00 N ATOM 0 H ARG A 9 24.900 5.206 1.324 1.00 10.00 H new ATOM 0 HA ARG A 9 23.722 3.395 -0.663 1.00 10.00 H new ATOM 0 HB2 ARG A 9 24.699 2.953 2.185 1.00 10.00 H new ATOM 0 HB3 ARG A 9 24.142 1.697 1.097 1.00 10.00 H new ATOM 0 HG2 ARG A 9 26.053 1.772 -0.211 1.00 10.00 H new ATOM 0 HG3 ARG A 9 26.365 3.461 0.136 1.00 10.00 H new ATOM 0 HD2 ARG A 9 26.686 1.196 2.144 1.00 10.00 H new ATOM 0 HD3 ARG A 9 27.999 1.898 1.219 1.00 10.00 H new ATOM 0 HE ARG A 9 26.386 3.751 2.892 1.00 10.00 H new ATOM 0 HH11 ARG A 9 29.370 1.904 2.416 1.00 10.00 H new ATOM 0 HH12 ARG A 9 30.262 2.822 3.635 1.00 10.00 H new ATOM 0 HH21 ARG A 9 27.543 4.912 4.449 1.00 10.00 H new ATOM 0 HH22 ARG A 9 29.233 4.515 4.779 1.00 10.00 H new ATOM 124 N LEU A 10 22.222 4.469 2.060 1.00 10.00 N ATOM 125 CA LEU A 10 20.921 4.590 2.710 1.00 10.00 C ATOM 126 C LEU A 10 19.888 5.215 1.775 1.00 10.00 C ATOM 127 O LEU A 10 18.746 4.766 1.715 1.00 10.00 O ATOM 128 CB LEU A 10 21.034 5.415 3.994 1.00 10.00 C ATOM 129 CG LEU A 10 19.762 5.469 4.852 1.00 10.00 C ATOM 130 CD1 LEU A 10 19.362 4.077 5.319 1.00 10.00 C ATOM 131 CD2 LEU A 10 19.966 6.392 6.046 1.00 10.00 C ATOM 0 H LEU A 10 22.972 4.986 2.518 1.00 10.00 H new ATOM 0 HA LEU A 10 20.585 3.585 2.964 1.00 10.00 H new ATOM 0 HB2 LEU A 10 21.844 5.007 4.599 1.00 10.00 H new ATOM 0 HB3 LEU A 10 21.317 6.434 3.728 1.00 10.00 H new ATOM 0 HG LEU A 10 18.954 5.866 4.238 1.00 10.00 H new ATOM 0 HD11 LEU A 10 18.458 4.142 5.925 1.00 10.00 H new ATOM 0 HD12 LEU A 10 19.173 3.443 4.453 1.00 10.00 H new ATOM 0 HD13 LEU A 10 20.168 3.647 5.914 1.00 10.00 H new ATOM 0 HD21 LEU A 10 19.055 6.420 6.644 1.00 10.00 H new ATOM 0 HD22 LEU A 10 20.790 6.021 6.656 1.00 10.00 H new ATOM 0 HD23 LEU A 10 20.199 7.397 5.694 1.00 10.00 H new ATOM 143 N ILE A 11 20.289 6.237 1.035 1.00 10.00 N ATOM 144 CA ILE A 11 19.379 6.905 0.115 1.00 10.00 C ATOM 145 C ILE A 11 19.048 6.016 -1.091 1.00 10.00 C ATOM 146 O ILE A 11 17.988 6.151 -1.710 1.00 10.00 O ATOM 147 CB ILE A 11 19.966 8.252 -0.366 1.00 10.00 C ATOM 148 CG1 ILE A 11 18.911 9.068 -1.117 1.00 10.00 C ATOM 149 CG2 ILE A 11 21.197 8.027 -1.236 1.00 10.00 C ATOM 150 CD1 ILE A 11 19.353 10.479 -1.437 1.00 10.00 C ATOM 0 H ILE A 11 21.234 6.621 1.052 1.00 10.00 H new ATOM 0 HA ILE A 11 18.455 7.100 0.660 1.00 10.00 H new ATOM 0 HB ILE A 11 20.272 8.821 0.512 1.00 10.00 H new ATOM 0 HG12 ILE A 11 18.660 8.555 -2.046 1.00 10.00 H new ATOM 0 HG13 ILE A 11 18.001 9.108 -0.519 1.00 10.00 H new ATOM 0 HG21 ILE A 11 21.592 8.989 -1.563 1.00 10.00 H new ATOM 0 HG22 ILE A 11 21.957 7.498 -0.661 1.00 10.00 H new ATOM 0 HG23 ILE A 11 20.923 7.433 -2.108 1.00 10.00 H new ATOM 0 HD11 ILE A 11 18.556 10.998 -1.969 1.00 10.00 H new ATOM 0 HD12 ILE A 11 19.576 11.009 -0.511 1.00 10.00 H new ATOM 0 HD13 ILE A 11 20.246 10.448 -2.062 1.00 10.00 H new ATOM 162 N GLU A 12 19.935 5.071 -1.388 1.00 10.00 N ATOM 163 CA GLU A 12 19.753 4.162 -2.515 1.00 10.00 C ATOM 164 C GLU A 12 18.605 3.190 -2.274 1.00 10.00 C ATOM 165 O GLU A 12 18.180 2.493 -3.192 1.00 10.00 O ATOM 166 CB GLU A 12 21.040 3.393 -2.806 1.00 10.00 C ATOM 167 CG GLU A 12 22.089 4.225 -3.519 1.00 10.00 C ATOM 168 CD GLU A 12 21.817 4.387 -4.999 1.00 10.00 C ATOM 169 OE1 GLU A 12 20.835 5.063 -5.364 1.00 10.00 O ATOM 170 OE2 GLU A 12 22.598 3.836 -5.806 1.00 10.00 O ATOM 0 H GLU A 12 20.793 4.914 -0.859 1.00 10.00 H new ATOM 0 HA GLU A 12 19.502 4.771 -3.384 1.00 10.00 H new ATOM 0 HB2 GLU A 12 21.455 3.025 -1.868 1.00 10.00 H new ATOM 0 HB3 GLU A 12 20.804 2.520 -3.414 1.00 10.00 H new ATOM 0 HG2 GLU A 12 22.139 5.210 -3.055 1.00 10.00 H new ATOM 0 HG3 GLU A 12 23.065 3.760 -3.384 1.00 10.00 H new ATOM 177 N SER A 13 18.115 3.127 -1.039 1.00 10.00 N ATOM 178 CA SER A 13 17.007 2.240 -0.707 1.00 10.00 C ATOM 179 C SER A 13 15.802 2.529 -1.603 1.00 10.00 C ATOM 180 O SER A 13 15.067 1.618 -1.986 1.00 10.00 O ATOM 181 CB SER A 13 16.624 2.399 0.763 1.00 10.00 C ATOM 182 OG SER A 13 17.772 2.300 1.590 1.00 10.00 O ATOM 0 H SER A 13 18.467 3.677 -0.256 1.00 10.00 H new ATOM 0 HA SER A 13 17.325 1.211 -0.877 1.00 10.00 H new ATOM 0 HB2 SER A 13 16.140 3.364 0.916 1.00 10.00 H new ATOM 0 HB3 SER A 13 15.901 1.632 1.041 1.00 10.00 H new ATOM 0 HG SER A 13 18.000 3.186 1.940 1.00 10.00 H new ATOM 188 N LEU A 14 15.632 3.798 -1.959 1.00 10.00 N ATOM 189 CA LEU A 14 14.535 4.206 -2.828 1.00 10.00 C ATOM 190 C LEU A 14 14.804 3.719 -4.249 1.00 10.00 C ATOM 191 O LEU A 14 13.922 3.168 -4.907 1.00 10.00 O ATOM 192 CB LEU A 14 14.371 5.732 -2.815 1.00 10.00 C ATOM 193 CG LEU A 14 13.705 6.312 -1.562 1.00 10.00 C ATOM 194 CD1 LEU A 14 14.700 6.417 -0.414 1.00 10.00 C ATOM 195 CD2 LEU A 14 13.094 7.673 -1.864 1.00 10.00 C ATOM 0 H LEU A 14 16.239 4.561 -1.659 1.00 10.00 H new ATOM 0 HA LEU A 14 13.610 3.761 -2.461 1.00 10.00 H new ATOM 0 HB2 LEU A 14 15.355 6.187 -2.926 1.00 10.00 H new ATOM 0 HB3 LEU A 14 13.784 6.025 -3.686 1.00 10.00 H new ATOM 0 HG LEU A 14 12.908 5.633 -1.258 1.00 10.00 H new ATOM 0 HD11 LEU A 14 14.202 6.831 0.463 1.00 10.00 H new ATOM 0 HD12 LEU A 14 15.088 5.426 -0.177 1.00 10.00 H new ATOM 0 HD13 LEU A 14 15.524 7.069 -0.705 1.00 10.00 H new ATOM 0 HD21 LEU A 14 12.626 8.070 -0.963 1.00 10.00 H new ATOM 0 HD22 LEU A 14 13.875 8.356 -2.198 1.00 10.00 H new ATOM 0 HD23 LEU A 14 12.343 7.569 -2.647 1.00 10.00 H new ATOM 207 N SER A 15 16.041 3.911 -4.698 1.00 10.00 N ATOM 208 CA SER A 15 16.458 3.487 -6.027 1.00 10.00 C ATOM 209 C SER A 15 16.361 1.967 -6.159 1.00 10.00 C ATOM 210 O SER A 15 15.987 1.442 -7.212 1.00 10.00 O ATOM 211 CB SER A 15 17.892 3.950 -6.282 1.00 10.00 C ATOM 212 OG SER A 15 18.206 5.083 -5.481 1.00 10.00 O ATOM 0 H SER A 15 16.777 4.362 -4.154 1.00 10.00 H new ATOM 0 HA SER A 15 15.797 3.936 -6.768 1.00 10.00 H new ATOM 0 HB2 SER A 15 18.586 3.139 -6.061 1.00 10.00 H new ATOM 0 HB3 SER A 15 18.017 4.198 -7.336 1.00 10.00 H new ATOM 0 HG SER A 15 19.176 5.219 -5.473 1.00 10.00 H new ATOM 218 N GLN A 16 16.697 1.271 -5.077 1.00 10.00 N ATOM 219 CA GLN A 16 16.648 -0.183 -5.045 1.00 10.00 C ATOM 220 C GLN A 16 15.221 -0.667 -5.253 1.00 10.00 C ATOM 221 O GLN A 16 14.982 -1.599 -6.027 1.00 10.00 O ATOM 222 CB GLN A 16 17.200 -0.710 -3.718 1.00 10.00 C ATOM 223 CG GLN A 16 17.469 -2.208 -3.718 1.00 10.00 C ATOM 224 CD GLN A 16 18.423 -2.627 -4.821 1.00 10.00 C ATOM 225 OE1 GLN A 16 19.642 -2.580 -4.657 1.00 10.00 O ATOM 226 NE2 GLN A 16 17.874 -3.040 -5.956 1.00 10.00 N ATOM 0 H GLN A 16 17.009 1.697 -4.204 1.00 10.00 H new ATOM 0 HA GLN A 16 17.269 -0.568 -5.854 1.00 10.00 H new ATOM 0 HB2 GLN A 16 18.126 -0.184 -3.485 1.00 10.00 H new ATOM 0 HB3 GLN A 16 16.492 -0.477 -2.922 1.00 10.00 H new ATOM 0 HG2 GLN A 16 17.884 -2.499 -2.753 1.00 10.00 H new ATOM 0 HG3 GLN A 16 16.527 -2.743 -3.834 1.00 10.00 H new ATOM 0 HE21 GLN A 16 16.859 -3.064 -6.052 1.00 10.00 H new ATOM 0 HE22 GLN A 16 18.467 -3.333 -6.732 1.00 10.00 H new ATOM 235 N MET A 17 14.274 -0.024 -4.574 1.00 10.00 N ATOM 236 CA MET A 17 12.865 -0.381 -4.699 1.00 10.00 C ATOM 237 C MET A 17 12.397 -0.130 -6.126 1.00 10.00 C ATOM 238 O MET A 17 11.680 -0.944 -6.709 1.00 10.00 O ATOM 239 CB MET A 17 12.004 0.417 -3.715 1.00 10.00 C ATOM 240 CG MET A 17 12.256 0.071 -2.255 1.00 10.00 C ATOM 241 SD MET A 17 12.198 -1.706 -1.943 1.00 10.00 S ATOM 242 CE MET A 17 10.461 -2.055 -2.215 1.00 10.00 C ATOM 0 H MET A 17 14.458 0.747 -3.932 1.00 10.00 H new ATOM 0 HA MET A 17 12.755 -1.439 -4.461 1.00 10.00 H new ATOM 0 HB2 MET A 17 12.191 1.481 -3.864 1.00 10.00 H new ATOM 0 HB3 MET A 17 10.952 0.243 -3.943 1.00 10.00 H new ATOM 0 HG2 MET A 17 13.231 0.457 -1.957 1.00 10.00 H new ATOM 0 HG3 MET A 17 11.512 0.570 -1.634 1.00 10.00 H new ATOM 0 HE1 MET A 17 10.261 -3.102 -1.989 1.00 10.00 H new ATOM 0 HE2 MET A 17 9.857 -1.422 -1.566 1.00 10.00 H new ATOM 0 HE3 MET A 17 10.208 -1.854 -3.256 1.00 10.00 H new ATOM 252 N LEU A 18 12.830 0.994 -6.687 1.00 10.00 N ATOM 253 CA LEU A 18 12.478 1.355 -8.053 1.00 10.00 C ATOM 254 C LEU A 18 13.005 0.306 -9.030 1.00 10.00 C ATOM 255 O LEU A 18 12.321 -0.076 -9.981 1.00 10.00 O ATOM 256 CB LEU A 18 13.050 2.731 -8.399 1.00 10.00 C ATOM 257 CG LEU A 18 12.804 3.198 -9.837 1.00 10.00 C ATOM 258 CD1 LEU A 18 11.344 3.572 -10.042 1.00 10.00 C ATOM 259 CD2 LEU A 18 13.709 4.372 -10.175 1.00 10.00 C ATOM 0 H LEU A 18 13.427 1.672 -6.214 1.00 10.00 H new ATOM 0 HA LEU A 18 11.392 1.395 -8.135 1.00 10.00 H new ATOM 0 HB2 LEU A 18 12.622 3.466 -7.717 1.00 10.00 H new ATOM 0 HB3 LEU A 18 14.125 2.716 -8.218 1.00 10.00 H new ATOM 0 HG LEU A 18 13.040 2.373 -10.510 1.00 10.00 H new ATOM 0 HD11 LEU A 18 11.193 3.901 -11.070 1.00 10.00 H new ATOM 0 HD12 LEU A 18 10.715 2.705 -9.842 1.00 10.00 H new ATOM 0 HD13 LEU A 18 11.076 4.379 -9.360 1.00 10.00 H new ATOM 0 HD21 LEU A 18 13.522 4.692 -11.200 1.00 10.00 H new ATOM 0 HD22 LEU A 18 13.504 5.198 -9.494 1.00 10.00 H new ATOM 0 HD23 LEU A 18 14.751 4.069 -10.074 1.00 10.00 H new ATOM 271 N SER A 19 14.215 -0.174 -8.768 1.00 10.00 N ATOM 272 CA SER A 19 14.844 -1.185 -9.611 1.00 10.00 C ATOM 273 C SER A 19 14.213 -2.556 -9.386 1.00 10.00 C ATOM 274 O SER A 19 14.364 -3.463 -10.203 1.00 10.00 O ATOM 275 CB SER A 19 16.345 -1.237 -9.326 1.00 10.00 C ATOM 276 OG SER A 19 16.907 0.064 -9.373 1.00 10.00 O ATOM 0 H SER A 19 14.783 0.122 -7.974 1.00 10.00 H new ATOM 0 HA SER A 19 14.687 -0.911 -10.654 1.00 10.00 H new ATOM 0 HB2 SER A 19 16.519 -1.679 -8.345 1.00 10.00 H new ATOM 0 HB3 SER A 19 16.837 -1.878 -10.057 1.00 10.00 H new ATOM 0 HG SER A 19 16.669 0.553 -8.558 1.00 10.00 H new ATOM 282 N MET A 20 13.502 -2.700 -8.275 1.00 10.00 N ATOM 283 CA MET A 20 12.848 -3.958 -7.945 1.00 10.00 C ATOM 284 C MET A 20 11.483 -4.037 -8.627 1.00 10.00 C ATOM 285 O MET A 20 10.830 -5.081 -8.622 1.00 10.00 O ATOM 286 CB MET A 20 12.698 -4.097 -6.428 1.00 10.00 C ATOM 287 CG MET A 20 12.331 -5.502 -5.978 1.00 10.00 C ATOM 288 SD MET A 20 12.290 -5.677 -4.184 1.00 10.00 S ATOM 289 CE MET A 20 14.033 -5.558 -3.786 1.00 10.00 C ATOM 0 H MET A 20 13.364 -1.960 -7.587 1.00 10.00 H new ATOM 0 HA MET A 20 13.465 -4.780 -8.307 1.00 10.00 H new ATOM 0 HB2 MET A 20 13.633 -3.805 -5.951 1.00 10.00 H new ATOM 0 HB3 MET A 20 11.933 -3.402 -6.082 1.00 10.00 H new ATOM 0 HG2 MET A 20 11.355 -5.765 -6.386 1.00 10.00 H new ATOM 0 HG3 MET A 20 13.050 -6.210 -6.391 1.00 10.00 H new ATOM 0 HE1 MET A 20 14.204 -5.942 -2.780 1.00 10.00 H new ATOM 0 HE2 MET A 20 14.610 -6.144 -4.501 1.00 10.00 H new ATOM 0 HE3 MET A 20 14.347 -4.515 -3.835 1.00 10.00 H new ATOM 299 N GLY A 21 11.069 -2.929 -9.220 1.00 10.00 N ATOM 300 CA GLY A 21 9.792 -2.891 -9.904 1.00 10.00 C ATOM 301 C GLY A 21 8.719 -2.201 -9.095 1.00 10.00 C ATOM 302 O GLY A 21 7.536 -2.277 -9.425 1.00 10.00 O ATOM 0 H GLY A 21 11.594 -2.054 -9.241 1.00 10.00 H new ATOM 0 HA2 GLY A 21 9.910 -2.376 -10.858 1.00 10.00 H new ATOM 0 HA3 GLY A 21 9.474 -3.909 -10.129 1.00 10.00 H new ATOM 306 N PHE A 22 9.120 -1.536 -8.027 1.00 10.00 N ATOM 307 CA PHE A 22 8.169 -0.831 -7.186 1.00 10.00 C ATOM 308 C PHE A 22 8.131 0.640 -7.572 1.00 10.00 C ATOM 309 O PHE A 22 9.166 1.310 -7.605 1.00 10.00 O ATOM 310 CB PHE A 22 8.540 -0.986 -5.712 1.00 10.00 C ATOM 311 CG PHE A 22 7.353 -1.079 -4.794 1.00 10.00 C ATOM 312 CD1 PHE A 22 6.448 -0.034 -4.698 1.00 10.00 C ATOM 313 CD2 PHE A 22 7.141 -2.213 -4.027 1.00 10.00 C ATOM 314 CE1 PHE A 22 5.357 -0.119 -3.855 1.00 10.00 C ATOM 315 CE2 PHE A 22 6.052 -2.305 -3.182 1.00 10.00 C ATOM 316 CZ PHE A 22 5.159 -1.256 -3.095 1.00 10.00 C ATOM 0 H PHE A 22 10.091 -1.469 -7.722 1.00 10.00 H new ATOM 0 HA PHE A 22 7.179 -1.262 -7.336 1.00 10.00 H new ATOM 0 HB2 PHE A 22 9.151 -1.881 -5.593 1.00 10.00 H new ATOM 0 HB3 PHE A 22 9.155 -0.138 -5.411 1.00 10.00 H new ATOM 0 HD1 PHE A 22 6.597 0.857 -5.289 1.00 10.00 H new ATOM 0 HD2 PHE A 22 7.837 -3.037 -4.091 1.00 10.00 H new ATOM 0 HE1 PHE A 22 4.659 0.703 -3.790 1.00 10.00 H new ATOM 0 HE2 PHE A 22 5.900 -3.196 -2.591 1.00 10.00 H new ATOM 0 HZ PHE A 22 4.307 -1.324 -2.434 1.00 10.00 H new ATOM 326 N SER A 23 6.944 1.127 -7.890 1.00 10.00 N ATOM 327 CA SER A 23 6.758 2.516 -8.272 1.00 10.00 C ATOM 328 C SER A 23 5.396 3.007 -7.807 1.00 10.00 C ATOM 329 O SER A 23 4.421 2.258 -7.824 1.00 10.00 O ATOM 330 CB SER A 23 6.893 2.663 -9.786 1.00 10.00 C ATOM 331 OG SER A 23 8.163 2.200 -10.222 1.00 10.00 O ATOM 0 H SER A 23 6.087 0.574 -7.891 1.00 10.00 H new ATOM 0 HA SER A 23 7.526 3.124 -7.794 1.00 10.00 H new ATOM 0 HB2 SER A 23 6.104 2.099 -10.283 1.00 10.00 H new ATOM 0 HB3 SER A 23 6.764 3.708 -10.068 1.00 10.00 H new ATOM 0 HG SER A 23 8.231 2.300 -11.194 1.00 10.00 H new ATOM 337 N ASP A 24 5.332 4.258 -7.385 1.00 10.00 N ATOM 338 CA ASP A 24 4.086 4.830 -6.894 1.00 10.00 C ATOM 339 C ASP A 24 3.426 5.716 -7.938 1.00 10.00 C ATOM 340 O ASP A 24 4.072 6.199 -8.871 1.00 10.00 O ATOM 341 CB ASP A 24 4.326 5.637 -5.613 1.00 10.00 C ATOM 342 CG ASP A 24 5.229 6.837 -5.838 1.00 10.00 C ATOM 343 OD1 ASP A 24 4.725 7.896 -6.257 1.00 10.00 O ATOM 344 OD2 ASP A 24 6.445 6.723 -5.592 1.00 10.00 O ATOM 0 H ASP A 24 6.126 4.898 -7.372 1.00 10.00 H new ATOM 0 HA ASP A 24 3.416 3.999 -6.676 1.00 10.00 H new ATOM 0 HB2 ASP A 24 3.369 5.977 -5.218 1.00 10.00 H new ATOM 0 HB3 ASP A 24 4.771 4.989 -4.858 1.00 10.00 H new ATOM 349 N GLU A 25 2.127 5.904 -7.772 1.00 10.00 N ATOM 350 CA GLU A 25 1.334 6.741 -8.658 1.00 10.00 C ATOM 351 C GLU A 25 0.788 7.927 -7.865 1.00 10.00 C ATOM 352 O GLU A 25 0.869 9.078 -8.297 1.00 10.00 O ATOM 353 CB GLU A 25 0.182 5.940 -9.284 1.00 10.00 C ATOM 354 CG GLU A 25 0.027 4.524 -8.733 1.00 10.00 C ATOM 355 CD GLU A 25 -0.577 4.485 -7.338 1.00 10.00 C ATOM 356 OE1 GLU A 25 0.071 4.985 -6.392 1.00 10.00 O ATOM 357 OE2 GLU A 25 -1.693 3.947 -7.183 1.00 10.00 O ATOM 0 H GLU A 25 1.591 5.479 -7.016 1.00 10.00 H new ATOM 0 HA GLU A 25 1.966 7.102 -9.469 1.00 10.00 H new ATOM 0 HB2 GLU A 25 -0.750 6.483 -9.126 1.00 10.00 H new ATOM 0 HB3 GLU A 25 0.338 5.883 -10.361 1.00 10.00 H new ATOM 0 HG2 GLU A 25 -0.601 3.945 -9.410 1.00 10.00 H new ATOM 0 HG3 GLU A 25 1.004 4.041 -8.712 1.00 10.00 H new ATOM 364 N GLY A 26 0.239 7.628 -6.694 1.00 10.00 N ATOM 365 CA GLY A 26 -0.301 8.660 -5.830 1.00 10.00 C ATOM 366 C GLY A 26 0.727 9.154 -4.829 1.00 10.00 C ATOM 367 O GLY A 26 0.413 9.950 -3.941 1.00 10.00 O ATOM 0 H GLY A 26 0.158 6.681 -6.325 1.00 10.00 H new ATOM 0 HA2 GLY A 26 -0.648 9.496 -6.437 1.00 10.00 H new ATOM 0 HA3 GLY A 26 -1.169 8.270 -5.297 1.00 10.00 H new ATOM 371 N GLY A 27 1.957 8.671 -4.976 1.00 10.00 N ATOM 372 CA GLY A 27 3.039 9.070 -4.096 1.00 10.00 C ATOM 373 C GLY A 27 2.986 8.385 -2.745 1.00 10.00 C ATOM 374 O GLY A 27 3.232 9.016 -1.722 1.00 10.00 O ATOM 0 H GLY A 27 2.225 8.002 -5.698 1.00 10.00 H new ATOM 0 HA2 GLY A 27 3.992 8.844 -4.575 1.00 10.00 H new ATOM 0 HA3 GLY A 27 3.003 10.150 -3.952 1.00 10.00 H new ATOM 378 N TRP A 28 2.662 7.097 -2.730 1.00 10.00 N ATOM 379 CA TRP A 28 2.570 6.363 -1.468 1.00 10.00 C ATOM 380 C TRP A 28 3.854 5.601 -1.131 1.00 10.00 C ATOM 381 O TRP A 28 4.118 5.327 0.038 1.00 10.00 O ATOM 382 CB TRP A 28 1.366 5.418 -1.472 1.00 10.00 C ATOM 383 CG TRP A 28 1.483 4.225 -2.372 1.00 10.00 C ATOM 384 CD1 TRP A 28 1.422 4.209 -3.735 1.00 10.00 C ATOM 385 CD2 TRP A 28 1.651 2.862 -1.964 1.00 10.00 C ATOM 386 NE1 TRP A 28 1.546 2.921 -4.199 1.00 10.00 N ATOM 387 CE2 TRP A 28 1.688 2.075 -3.129 1.00 10.00 C ATOM 388 CE3 TRP A 28 1.771 2.235 -0.722 1.00 10.00 C ATOM 389 CZ2 TRP A 28 1.842 0.690 -3.084 1.00 10.00 C ATOM 390 CZ3 TRP A 28 1.926 0.864 -0.682 1.00 10.00 C ATOM 391 CH2 TRP A 28 1.959 0.106 -1.856 1.00 10.00 C ATOM 0 H TRP A 28 2.461 6.544 -3.563 1.00 10.00 H new ATOM 0 HA TRP A 28 2.430 7.108 -0.685 1.00 10.00 H new ATOM 0 HB2 TRP A 28 1.198 5.068 -0.454 1.00 10.00 H new ATOM 0 HB3 TRP A 28 0.482 5.985 -1.763 1.00 10.00 H new ATOM 0 HD1 TRP A 28 1.295 5.081 -4.359 1.00 10.00 H new ATOM 0 HE1 TRP A 28 1.534 2.640 -5.180 1.00 10.00 H new ATOM 0 HE3 TRP A 28 1.743 2.812 0.190 1.00 10.00 H new ATOM 0 HZ2 TRP A 28 1.868 0.100 -3.988 1.00 10.00 H new ATOM 0 HZ3 TRP A 28 2.023 0.368 0.273 1.00 10.00 H new ATOM 0 HH2 TRP A 28 2.080 -0.965 -1.790 1.00 10.00 H new ATOM 402 N LEU A 29 4.655 5.272 -2.138 1.00 10.00 N ATOM 403 CA LEU A 29 5.902 4.540 -1.911 1.00 10.00 C ATOM 404 C LEU A 29 6.855 5.358 -1.043 1.00 10.00 C ATOM 405 O LEU A 29 7.481 4.833 -0.120 1.00 10.00 O ATOM 406 CB LEU A 29 6.578 4.191 -3.245 1.00 10.00 C ATOM 407 CG LEU A 29 7.968 3.548 -3.135 1.00 10.00 C ATOM 408 CD1 LEU A 29 7.904 2.227 -2.383 1.00 10.00 C ATOM 409 CD2 LEU A 29 8.571 3.344 -4.516 1.00 10.00 C ATOM 0 H LEU A 29 4.468 5.497 -3.115 1.00 10.00 H new ATOM 0 HA LEU A 29 5.659 3.614 -1.390 1.00 10.00 H new ATOM 0 HB2 LEU A 29 5.926 3.513 -3.796 1.00 10.00 H new ATOM 0 HB3 LEU A 29 6.664 5.102 -3.837 1.00 10.00 H new ATOM 0 HG LEU A 29 8.608 4.226 -2.571 1.00 10.00 H new ATOM 0 HD11 LEU A 29 8.903 1.795 -2.321 1.00 10.00 H new ATOM 0 HD12 LEU A 29 7.520 2.399 -1.378 1.00 10.00 H new ATOM 0 HD13 LEU A 29 7.244 1.539 -2.911 1.00 10.00 H new ATOM 0 HD21 LEU A 29 9.556 2.887 -4.419 1.00 10.00 H new ATOM 0 HD22 LEU A 29 7.925 2.691 -5.102 1.00 10.00 H new ATOM 0 HD23 LEU A 29 8.665 4.307 -5.018 1.00 10.00 H new ATOM 421 N THR A 30 6.932 6.654 -1.323 1.00 10.00 N ATOM 422 CA THR A 30 7.802 7.551 -0.572 1.00 10.00 C ATOM 423 C THR A 30 7.283 7.750 0.856 1.00 10.00 C ATOM 424 O THR A 30 7.991 8.259 1.716 1.00 10.00 O ATOM 425 CB THR A 30 7.942 8.918 -1.286 1.00 10.00 C ATOM 426 OG1 THR A 30 8.960 9.714 -0.660 1.00 10.00 O ATOM 427 CG2 THR A 30 6.623 9.679 -1.283 1.00 10.00 C ATOM 0 H THR A 30 6.401 7.108 -2.066 1.00 10.00 H new ATOM 0 HA THR A 30 8.787 7.088 -0.520 1.00 10.00 H new ATOM 0 HB THR A 30 8.227 8.721 -2.320 1.00 10.00 H new ATOM 0 HG1 THR A 30 9.075 9.426 0.270 1.00 10.00 H new ATOM 0 HG21 THR A 30 6.753 10.634 -1.791 1.00 10.00 H new ATOM 0 HG22 THR A 30 5.864 9.093 -1.801 1.00 10.00 H new ATOM 0 HG23 THR A 30 6.307 9.855 -0.255 1.00 10.00 H new ATOM 435 N ARG A 31 6.048 7.325 1.103 1.00 10.00 N ATOM 436 CA ARG A 31 5.440 7.453 2.424 1.00 10.00 C ATOM 437 C ARG A 31 5.653 6.170 3.215 1.00 10.00 C ATOM 438 O ARG A 31 5.920 6.203 4.415 1.00 10.00 O ATOM 439 CB ARG A 31 3.945 7.743 2.298 1.00 10.00 C ATOM 440 CG ARG A 31 3.617 8.799 1.253 1.00 10.00 C ATOM 441 CD ARG A 31 3.748 10.209 1.803 1.00 10.00 C ATOM 442 NE ARG A 31 2.573 10.603 2.571 1.00 10.00 N ATOM 443 CZ ARG A 31 2.255 11.864 2.847 1.00 10.00 C ATOM 444 NH1 ARG A 31 3.027 12.857 2.425 1.00 10.00 N ATOM 445 NH2 ARG A 31 1.161 12.124 3.543 1.00 10.00 N ATOM 0 H ARG A 31 5.447 6.888 0.404 1.00 10.00 H new ATOM 0 HA ARG A 31 5.913 8.283 2.948 1.00 10.00 H new ATOM 0 HB2 ARG A 31 3.424 6.819 2.046 1.00 10.00 H new ATOM 0 HB3 ARG A 31 3.564 8.070 3.265 1.00 10.00 H new ATOM 0 HG2 ARG A 31 4.283 8.681 0.398 1.00 10.00 H new ATOM 0 HG3 ARG A 31 2.601 8.645 0.890 1.00 10.00 H new ATOM 0 HD2 ARG A 31 4.633 10.271 2.436 1.00 10.00 H new ATOM 0 HD3 ARG A 31 3.895 10.908 0.980 1.00 10.00 H new ATOM 0 HE ARG A 31 1.958 9.867 2.917 1.00 10.00 H new ATOM 0 HH11 ARG A 31 3.869 12.655 1.886 1.00 10.00 H new ATOM 0 HH12 ARG A 31 2.778 13.823 2.639 1.00 10.00 H new ATOM 0 HH21 ARG A 31 0.567 11.359 3.864 1.00 10.00 H new ATOM 0 HH22 ARG A 31 0.911 13.089 3.758 1.00 10.00 H new ATOM 459 N LEU A 32 5.544 5.039 2.526 1.00 10.00 N ATOM 460 CA LEU A 32 5.726 3.729 3.145 1.00 10.00 C ATOM 461 C LEU A 32 7.122 3.607 3.748 1.00 10.00 C ATOM 462 O LEU A 32 7.299 3.053 4.834 1.00 10.00 O ATOM 463 CB LEU A 32 5.503 2.626 2.107 1.00 10.00 C ATOM 464 CG LEU A 32 5.455 1.202 2.663 1.00 10.00 C ATOM 465 CD1 LEU A 32 4.148 0.958 3.405 1.00 10.00 C ATOM 466 CD2 LEU A 32 5.637 0.183 1.547 1.00 10.00 C ATOM 0 H LEU A 32 5.329 5.003 1.530 1.00 10.00 H new ATOM 0 HA LEU A 32 4.995 3.619 3.946 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.567 2.826 1.585 1.00 10.00 H new ATOM 0 HB3 LEU A 32 6.300 2.682 1.366 1.00 10.00 H new ATOM 0 HG LEU A 32 6.276 1.084 3.370 1.00 10.00 H new ATOM 0 HD11 LEU A 32 4.134 -0.061 3.792 1.00 10.00 H new ATOM 0 HD12 LEU A 32 4.063 1.662 4.233 1.00 10.00 H new ATOM 0 HD13 LEU A 32 3.310 1.098 2.722 1.00 10.00 H new ATOM 0 HD21 LEU A 32 5.600 -0.824 1.964 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.840 0.301 0.813 1.00 10.00 H new ATOM 0 HD23 LEU A 32 6.602 0.340 1.064 1.00 10.00 H new ATOM 478 N LEU A 33 8.109 4.161 3.048 1.00 10.00 N ATOM 479 CA LEU A 33 9.495 4.119 3.503 1.00 10.00 C ATOM 480 C LEU A 33 9.720 5.084 4.662 1.00 10.00 C ATOM 481 O LEU A 33 10.787 5.102 5.276 1.00 10.00 O ATOM 482 CB LEU A 33 10.441 4.458 2.353 1.00 10.00 C ATOM 483 CG LEU A 33 10.406 3.493 1.168 1.00 10.00 C ATOM 484 CD1 LEU A 33 11.283 4.017 0.045 1.00 10.00 C ATOM 485 CD2 LEU A 33 10.857 2.101 1.592 1.00 10.00 C ATOM 0 H LEU A 33 7.973 4.646 2.161 1.00 10.00 H new ATOM 0 HA LEU A 33 9.704 3.108 3.852 1.00 10.00 H new ATOM 0 HB2 LEU A 33 10.203 5.458 1.992 1.00 10.00 H new ATOM 0 HB3 LEU A 33 11.459 4.493 2.741 1.00 10.00 H new ATOM 0 HG LEU A 33 9.379 3.421 0.809 1.00 10.00 H new ATOM 0 HD11 LEU A 33 11.252 3.323 -0.795 1.00 10.00 H new ATOM 0 HD12 LEU A 33 10.918 4.993 -0.277 1.00 10.00 H new ATOM 0 HD13 LEU A 33 12.309 4.112 0.399 1.00 10.00 H new ATOM 0 HD21 LEU A 33 10.824 1.431 0.733 1.00 10.00 H new ATOM 0 HD22 LEU A 33 11.876 2.150 1.976 1.00 10.00 H new ATOM 0 HD23 LEU A 33 10.194 1.725 2.371 1.00 10.00 H new ATOM 497 N GLN A 34 8.729 5.917 4.935 1.00 10.00 N ATOM 498 CA GLN A 34 8.823 6.870 6.028 1.00 10.00 C ATOM 499 C GLN A 34 8.154 6.312 7.278 1.00 10.00 C ATOM 500 O GLN A 34 8.715 6.365 8.372 1.00 10.00 O ATOM 501 CB GLN A 34 8.188 8.206 5.638 1.00 10.00 C ATOM 502 CG GLN A 34 8.962 8.960 4.569 1.00 10.00 C ATOM 503 CD GLN A 34 10.311 9.449 5.053 1.00 10.00 C ATOM 504 OE1 GLN A 34 10.439 10.562 5.555 1.00 10.00 O ATOM 505 NE2 GLN A 34 11.330 8.617 4.903 1.00 10.00 N ATOM 0 H GLN A 34 7.852 5.952 4.416 1.00 10.00 H new ATOM 0 HA GLN A 34 9.878 7.041 6.242 1.00 10.00 H new ATOM 0 HB2 GLN A 34 7.174 8.026 5.281 1.00 10.00 H new ATOM 0 HB3 GLN A 34 8.107 8.833 6.526 1.00 10.00 H new ATOM 0 HG2 GLN A 34 9.105 8.311 3.705 1.00 10.00 H new ATOM 0 HG3 GLN A 34 8.371 9.812 4.233 1.00 10.00 H new ATOM 0 HE21 GLN A 34 11.182 7.700 4.481 1.00 10.00 H new ATOM 0 HE22 GLN A 34 12.263 8.893 5.210 1.00 10.00 H new ATOM 514 N THR A 35 6.962 5.759 7.103 1.00 10.00 N ATOM 515 CA THR A 35 6.199 5.214 8.216 1.00 10.00 C ATOM 516 C THR A 35 6.739 3.860 8.680 1.00 10.00 C ATOM 517 O THR A 35 6.756 3.571 9.877 1.00 10.00 O ATOM 518 CB THR A 35 4.703 5.068 7.851 1.00 10.00 C ATOM 519 OG1 THR A 35 4.548 4.255 6.681 1.00 10.00 O ATOM 520 CG2 THR A 35 4.073 6.430 7.604 1.00 10.00 C ATOM 0 H THR A 35 6.501 5.676 6.197 1.00 10.00 H new ATOM 0 HA THR A 35 6.305 5.925 9.036 1.00 10.00 H new ATOM 0 HB THR A 35 4.200 4.590 8.691 1.00 10.00 H new ATOM 0 HG1 THR A 35 3.752 3.691 6.778 1.00 10.00 H new ATOM 0 HG21 THR A 35 3.021 6.303 7.349 1.00 10.00 H new ATOM 0 HG22 THR A 35 4.157 7.039 8.504 1.00 10.00 H new ATOM 0 HG23 THR A 35 4.589 6.926 6.781 1.00 10.00 H new ATOM 528 N LYS A 36 7.191 3.036 7.740 1.00 10.00 N ATOM 529 CA LYS A 36 7.706 1.715 8.078 1.00 10.00 C ATOM 530 C LYS A 36 9.216 1.623 7.860 1.00 10.00 C ATOM 531 O LYS A 36 9.777 0.526 7.794 1.00 10.00 O ATOM 532 CB LYS A 36 6.974 0.645 7.265 1.00 10.00 C ATOM 533 CG LYS A 36 5.472 0.626 7.512 1.00 10.00 C ATOM 534 CD LYS A 36 4.812 -0.569 6.849 1.00 10.00 C ATOM 535 CE LYS A 36 3.347 -0.687 7.243 1.00 10.00 C ATOM 536 NZ LYS A 36 2.498 0.333 6.573 1.00 10.00 N ATOM 0 H LYS A 36 7.211 3.258 6.745 1.00 10.00 H new ATOM 0 HA LYS A 36 7.523 1.543 9.139 1.00 10.00 H new ATOM 0 HB2 LYS A 36 7.159 0.814 6.204 1.00 10.00 H new ATOM 0 HB3 LYS A 36 7.388 -0.333 7.509 1.00 10.00 H new ATOM 0 HG2 LYS A 36 5.279 0.600 8.585 1.00 10.00 H new ATOM 0 HG3 LYS A 36 5.028 1.546 7.130 1.00 10.00 H new ATOM 0 HD2 LYS A 36 4.892 -0.476 5.766 1.00 10.00 H new ATOM 0 HD3 LYS A 36 5.340 -1.480 7.130 1.00 10.00 H new ATOM 0 HE2 LYS A 36 2.984 -1.683 6.988 1.00 10.00 H new ATOM 0 HE3 LYS A 36 3.254 -0.581 8.324 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 1.505 0.191 6.846 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 2.804 1.284 6.862 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 2.590 0.238 5.541 1.00 10.00 H new ATOM 550 N ASN A 37 9.858 2.790 7.766 1.00 10.00 N ATOM 551 CA ASN A 37 11.315 2.894 7.571 1.00 10.00 C ATOM 552 C ASN A 37 11.735 2.416 6.177 1.00 10.00 C ATOM 553 O ASN A 37 10.932 1.871 5.420 1.00 10.00 O ATOM 554 CB ASN A 37 12.072 2.101 8.650 1.00 10.00 C ATOM 555 CG ASN A 37 13.543 2.477 8.733 1.00 10.00 C ATOM 556 OD1 ASN A 37 13.915 3.638 8.547 1.00 10.00 O ATOM 557 ND2 ASN A 37 14.396 1.498 8.988 1.00 10.00 N ATOM 0 H ASN A 37 9.386 3.693 7.822 1.00 10.00 H new ATOM 0 HA ASN A 37 11.576 3.948 7.660 1.00 10.00 H new ATOM 0 HB2 ASN A 37 11.602 2.274 9.618 1.00 10.00 H new ATOM 0 HB3 ASN A 37 11.985 1.035 8.439 1.00 10.00 H new ATOM 0 HD21 ASN A 37 15.396 1.693 9.036 1.00 10.00 H new ATOM 0 HD22 ASN A 37 14.053 0.549 9.137 1.00 10.00 H new ATOM 564 N TYR A 38 13.006 2.627 5.842 1.00 10.00 N ATOM 565 CA TYR A 38 13.546 2.226 4.545 1.00 10.00 C ATOM 566 C TYR A 38 13.959 0.757 4.558 1.00 10.00 C ATOM 567 O TYR A 38 14.924 0.368 3.895 1.00 10.00 O ATOM 568 CB TYR A 38 14.764 3.086 4.180 1.00 10.00 C ATOM 569 CG TYR A 38 14.611 4.559 4.495 1.00 10.00 C ATOM 570 CD1 TYR A 38 13.977 5.418 3.604 1.00 10.00 C ATOM 571 CD2 TYR A 38 15.111 5.090 5.678 1.00 10.00 C ATOM 572 CE1 TYR A 38 13.845 6.763 3.888 1.00 10.00 C ATOM 573 CE2 TYR A 38 14.981 6.434 5.968 1.00 10.00 C ATOM 574 CZ TYR A 38 14.349 7.267 5.071 1.00 10.00 C ATOM 575 OH TYR A 38 14.219 8.607 5.355 1.00 10.00 O ATOM 0 H TYR A 38 13.685 3.077 6.456 1.00 10.00 H new ATOM 0 HA TYR A 38 12.762 2.370 3.802 1.00 10.00 H new ATOM 0 HB2 TYR A 38 15.635 2.703 4.711 1.00 10.00 H new ATOM 0 HB3 TYR A 38 14.965 2.974 3.115 1.00 10.00 H new ATOM 0 HD1 TYR A 38 13.582 5.028 2.677 1.00 10.00 H new ATOM 0 HD2 TYR A 38 15.610 4.441 6.382 1.00 10.00 H new ATOM 0 HE1 TYR A 38 13.349 7.419 3.187 1.00 10.00 H new ATOM 0 HE2 TYR A 38 15.373 6.830 6.893 1.00 10.00 H new ATOM 0 HH TYR A 38 14.626 8.798 6.226 1.00 10.00 H new ATOM 585 N ASP A 39 13.235 -0.054 5.310 1.00 10.00 N ATOM 586 CA ASP A 39 13.542 -1.473 5.404 1.00 10.00 C ATOM 587 C ASP A 39 12.943 -2.225 4.224 1.00 10.00 C ATOM 588 O ASP A 39 11.733 -2.449 4.165 1.00 10.00 O ATOM 589 CB ASP A 39 13.024 -2.055 6.720 1.00 10.00 C ATOM 590 CG ASP A 39 14.134 -2.275 7.725 1.00 10.00 C ATOM 591 OD1 ASP A 39 14.748 -3.363 7.711 1.00 10.00 O ATOM 592 OD2 ASP A 39 14.404 -1.358 8.529 1.00 10.00 O ATOM 0 H ASP A 39 12.432 0.244 5.864 1.00 10.00 H new ATOM 0 HA ASP A 39 14.626 -1.589 5.380 1.00 10.00 H new ATOM 0 HB2 ASP A 39 12.280 -1.381 7.145 1.00 10.00 H new ATOM 0 HB3 ASP A 39 12.521 -3.002 6.523 1.00 10.00 H new ATOM 597 N ILE A 40 13.802 -2.612 3.292 1.00 10.00 N ATOM 598 CA ILE A 40 13.381 -3.326 2.091 1.00 10.00 C ATOM 599 C ILE A 40 12.649 -4.619 2.443 1.00 10.00 C ATOM 600 O ILE A 40 11.586 -4.913 1.892 1.00 10.00 O ATOM 601 CB ILE A 40 14.586 -3.644 1.180 1.00 10.00 C ATOM 602 CG1 ILE A 40 15.361 -2.362 0.863 1.00 10.00 C ATOM 603 CG2 ILE A 40 14.126 -4.323 -0.105 1.00 10.00 C ATOM 604 CD1 ILE A 40 16.635 -2.598 0.080 1.00 10.00 C ATOM 0 H ILE A 40 14.806 -2.442 3.345 1.00 10.00 H new ATOM 0 HA ILE A 40 12.696 -2.671 1.553 1.00 10.00 H new ATOM 0 HB ILE A 40 15.248 -4.331 1.708 1.00 10.00 H new ATOM 0 HG12 ILE A 40 14.717 -1.689 0.297 1.00 10.00 H new ATOM 0 HG13 ILE A 40 15.607 -1.857 1.797 1.00 10.00 H new ATOM 0 HG21 ILE A 40 14.991 -4.538 -0.732 1.00 10.00 H new ATOM 0 HG22 ILE A 40 13.614 -5.254 0.139 1.00 10.00 H new ATOM 0 HG23 ILE A 40 13.444 -3.663 -0.641 1.00 10.00 H new ATOM 0 HD11 ILE A 40 17.129 -1.645 -0.107 1.00 10.00 H new ATOM 0 HD12 ILE A 40 17.300 -3.245 0.653 1.00 10.00 H new ATOM 0 HD13 ILE A 40 16.395 -3.075 -0.870 1.00 10.00 H new ATOM 616 N GLY A 41 13.208 -5.373 3.380 1.00 10.00 N ATOM 617 CA GLY A 41 12.594 -6.622 3.792 1.00 10.00 C ATOM 618 C GLY A 41 11.205 -6.420 4.362 1.00 10.00 C ATOM 619 O GLY A 41 10.288 -7.187 4.069 1.00 10.00 O ATOM 0 H GLY A 41 14.076 -5.143 3.863 1.00 10.00 H new ATOM 0 HA2 GLY A 41 12.539 -7.296 2.937 1.00 10.00 H new ATOM 0 HA3 GLY A 41 13.224 -7.105 4.539 1.00 10.00 H new ATOM 623 N ALA A 42 11.047 -5.379 5.166 1.00 10.00 N ATOM 624 CA ALA A 42 9.759 -5.076 5.771 1.00 10.00 C ATOM 625 C ALA A 42 8.748 -4.648 4.712 1.00 10.00 C ATOM 626 O ALA A 42 7.586 -5.050 4.755 1.00 10.00 O ATOM 627 CB ALA A 42 9.910 -3.992 6.825 1.00 10.00 C ATOM 0 H ALA A 42 11.794 -4.730 5.414 1.00 10.00 H new ATOM 0 HA ALA A 42 9.388 -5.982 6.251 1.00 10.00 H new ATOM 0 HB1 ALA A 42 8.937 -3.777 7.268 1.00 10.00 H new ATOM 0 HB2 ALA A 42 10.595 -4.332 7.601 1.00 10.00 H new ATOM 0 HB3 ALA A 42 10.306 -3.088 6.363 1.00 10.00 H new ATOM 633 N ALA A 43 9.208 -3.842 3.757 1.00 10.00 N ATOM 634 CA ALA A 43 8.352 -3.355 2.681 1.00 10.00 C ATOM 635 C ALA A 43 7.791 -4.509 1.861 1.00 10.00 C ATOM 636 O ALA A 43 6.610 -4.519 1.516 1.00 10.00 O ATOM 637 CB ALA A 43 9.118 -2.393 1.784 1.00 10.00 C ATOM 0 H ALA A 43 10.172 -3.512 3.708 1.00 10.00 H new ATOM 0 HA ALA A 43 7.516 -2.822 3.133 1.00 10.00 H new ATOM 0 HB1 ALA A 43 8.464 -2.040 0.987 1.00 10.00 H new ATOM 0 HB2 ALA A 43 9.464 -1.543 2.373 1.00 10.00 H new ATOM 0 HB3 ALA A 43 9.976 -2.906 1.349 1.00 10.00 H new ATOM 643 N LEU A 44 8.643 -5.483 1.568 1.00 10.00 N ATOM 644 CA LEU A 44 8.239 -6.649 0.789 1.00 10.00 C ATOM 645 C LEU A 44 7.184 -7.468 1.531 1.00 10.00 C ATOM 646 O LEU A 44 6.202 -7.919 0.939 1.00 10.00 O ATOM 647 CB LEU A 44 9.453 -7.529 0.481 1.00 10.00 C ATOM 648 CG LEU A 44 10.075 -7.329 -0.905 1.00 10.00 C ATOM 649 CD1 LEU A 44 10.495 -5.879 -1.109 1.00 10.00 C ATOM 650 CD2 LEU A 44 11.265 -8.258 -1.088 1.00 10.00 C ATOM 0 H LEU A 44 9.621 -5.490 1.858 1.00 10.00 H new ATOM 0 HA LEU A 44 7.806 -6.293 -0.146 1.00 10.00 H new ATOM 0 HB2 LEU A 44 10.218 -7.340 1.234 1.00 10.00 H new ATOM 0 HB3 LEU A 44 9.158 -8.574 0.581 1.00 10.00 H new ATOM 0 HG LEU A 44 9.322 -7.572 -1.655 1.00 10.00 H new ATOM 0 HD11 LEU A 44 10.934 -5.763 -2.100 1.00 10.00 H new ATOM 0 HD12 LEU A 44 9.623 -5.232 -1.020 1.00 10.00 H new ATOM 0 HD13 LEU A 44 11.230 -5.603 -0.353 1.00 10.00 H new ATOM 0 HD21 LEU A 44 11.697 -8.105 -2.077 1.00 10.00 H new ATOM 0 HD22 LEU A 44 12.015 -8.043 -0.327 1.00 10.00 H new ATOM 0 HD23 LEU A 44 10.937 -9.293 -0.991 1.00 10.00 H new ATOM 662 N ASP A 45 7.382 -7.635 2.832 1.00 10.00 N ATOM 663 CA ASP A 45 6.455 -8.410 3.660 1.00 10.00 C ATOM 664 C ASP A 45 5.144 -7.658 3.889 1.00 10.00 C ATOM 665 O ASP A 45 4.115 -8.261 4.193 1.00 10.00 O ATOM 666 CB ASP A 45 7.109 -8.746 5.001 1.00 10.00 C ATOM 667 CG ASP A 45 6.415 -9.885 5.718 1.00 10.00 C ATOM 668 OD1 ASP A 45 6.542 -11.041 5.261 1.00 10.00 O ATOM 669 OD2 ASP A 45 5.755 -9.634 6.749 1.00 10.00 O ATOM 0 H ASP A 45 8.176 -7.246 3.341 1.00 10.00 H new ATOM 0 HA ASP A 45 6.221 -9.333 3.129 1.00 10.00 H new ATOM 0 HB2 ASP A 45 8.154 -9.009 4.836 1.00 10.00 H new ATOM 0 HB3 ASP A 45 7.099 -7.861 5.638 1.00 10.00 H new ATOM 674 N THR A 46 5.188 -6.343 3.725 1.00 10.00 N ATOM 675 CA THR A 46 4.011 -5.499 3.916 1.00 10.00 C ATOM 676 C THR A 46 2.879 -5.896 2.969 1.00 10.00 C ATOM 677 O THR A 46 1.708 -5.883 3.347 1.00 10.00 O ATOM 678 CB THR A 46 4.359 -4.008 3.708 1.00 10.00 C ATOM 679 OG1 THR A 46 5.378 -3.608 4.634 1.00 10.00 O ATOM 680 CG2 THR A 46 3.135 -3.120 3.898 1.00 10.00 C ATOM 0 H THR A 46 6.030 -5.833 3.459 1.00 10.00 H new ATOM 0 HA THR A 46 3.674 -5.647 4.942 1.00 10.00 H new ATOM 0 HB THR A 46 4.718 -3.891 2.685 1.00 10.00 H new ATOM 0 HG1 THR A 46 6.220 -4.054 4.406 1.00 10.00 H new ATOM 0 HG21 THR A 46 3.414 -2.078 3.745 1.00 10.00 H new ATOM 0 HG22 THR A 46 2.367 -3.400 3.177 1.00 10.00 H new ATOM 0 HG23 THR A 46 2.747 -3.247 4.909 1.00 10.00 H new ATOM 688 N ILE A 47 3.227 -6.264 1.744 1.00 10.00 N ATOM 689 CA ILE A 47 2.223 -6.647 0.765 1.00 10.00 C ATOM 690 C ILE A 47 2.306 -8.139 0.438 1.00 10.00 C ATOM 691 O ILE A 47 1.632 -8.614 -0.472 1.00 10.00 O ATOM 692 CB ILE A 47 2.353 -5.819 -0.532 1.00 10.00 C ATOM 693 CG1 ILE A 47 3.719 -6.055 -1.187 1.00 10.00 C ATOM 694 CG2 ILE A 47 2.143 -4.334 -0.236 1.00 10.00 C ATOM 695 CD1 ILE A 47 3.802 -5.544 -2.609 1.00 10.00 C ATOM 0 H ILE A 47 4.189 -6.305 1.407 1.00 10.00 H new ATOM 0 HA ILE A 47 1.250 -6.441 1.211 1.00 10.00 H new ATOM 0 HB ILE A 47 1.582 -6.143 -1.231 1.00 10.00 H new ATOM 0 HG12 ILE A 47 4.489 -5.568 -0.589 1.00 10.00 H new ATOM 0 HG13 ILE A 47 3.937 -7.123 -1.180 1.00 10.00 H new ATOM 0 HG21 ILE A 47 2.237 -3.762 -1.159 1.00 10.00 H new ATOM 0 HG22 ILE A 47 1.148 -4.184 0.184 1.00 10.00 H new ATOM 0 HG23 ILE A 47 2.893 -3.996 0.479 1.00 10.00 H new ATOM 0 HD11 ILE A 47 4.796 -5.744 -3.010 1.00 10.00 H new ATOM 0 HD12 ILE A 47 3.055 -6.049 -3.221 1.00 10.00 H new ATOM 0 HD13 ILE A 47 3.615 -4.470 -2.621 1.00 10.00 H new ATOM 707 N GLN A 48 3.151 -8.858 1.188 1.00 10.00 N ATOM 708 CA GLN A 48 3.352 -10.308 1.030 1.00 10.00 C ATOM 709 C GLN A 48 4.123 -10.670 -0.242 1.00 10.00 C ATOM 710 O GLN A 48 4.949 -11.584 -0.224 1.00 10.00 O ATOM 711 CB GLN A 48 2.020 -11.063 1.061 1.00 10.00 C ATOM 712 CG GLN A 48 1.558 -11.413 2.462 1.00 10.00 C ATOM 713 CD GLN A 48 2.457 -12.431 3.136 1.00 10.00 C ATOM 714 OE1 GLN A 48 2.979 -13.343 2.493 1.00 10.00 O ATOM 715 NE2 GLN A 48 2.660 -12.271 4.431 1.00 10.00 N ATOM 0 H GLN A 48 3.720 -8.448 1.928 1.00 10.00 H new ATOM 0 HA GLN A 48 3.960 -10.617 1.880 1.00 10.00 H new ATOM 0 HB2 GLN A 48 1.256 -10.456 0.575 1.00 10.00 H new ATOM 0 HB3 GLN A 48 2.117 -11.979 0.479 1.00 10.00 H new ATOM 0 HG2 GLN A 48 1.525 -10.507 3.067 1.00 10.00 H new ATOM 0 HG3 GLN A 48 0.542 -11.804 2.418 1.00 10.00 H new ATOM 0 HE21 GLN A 48 2.209 -11.502 4.927 1.00 10.00 H new ATOM 0 HE22 GLN A 48 3.268 -12.916 4.935 1.00 10.00 H new ATOM 724 N TYR A 49 3.841 -9.965 -1.335 1.00 10.00 N ATOM 725 CA TYR A 49 4.501 -10.211 -2.615 1.00 10.00 C ATOM 726 C TYR A 49 6.018 -10.084 -2.495 1.00 10.00 C ATOM 727 O TYR A 49 6.572 -8.985 -2.538 1.00 10.00 O ATOM 728 CB TYR A 49 3.969 -9.243 -3.679 1.00 10.00 C ATOM 729 CG TYR A 49 2.595 -9.612 -4.191 1.00 10.00 C ATOM 730 CD1 TYR A 49 2.449 -10.468 -5.270 1.00 10.00 C ATOM 731 CD2 TYR A 49 1.446 -9.112 -3.590 1.00 10.00 C ATOM 732 CE1 TYR A 49 1.201 -10.818 -5.738 1.00 10.00 C ATOM 733 CE2 TYR A 49 0.191 -9.461 -4.051 1.00 10.00 C ATOM 734 CZ TYR A 49 0.076 -10.316 -5.127 1.00 10.00 C ATOM 735 OH TYR A 49 -1.169 -10.676 -5.587 1.00 10.00 O ATOM 0 H TYR A 49 3.153 -9.212 -1.359 1.00 10.00 H new ATOM 0 HA TYR A 49 4.275 -11.234 -2.917 1.00 10.00 H new ATOM 0 HB2 TYR A 49 3.935 -8.237 -3.260 1.00 10.00 H new ATOM 0 HB3 TYR A 49 4.666 -9.216 -4.517 1.00 10.00 H new ATOM 0 HD1 TYR A 49 3.328 -10.868 -5.753 1.00 10.00 H new ATOM 0 HD2 TYR A 49 1.535 -8.440 -2.749 1.00 10.00 H new ATOM 0 HE1 TYR A 49 1.107 -11.485 -6.582 1.00 10.00 H new ATOM 0 HE2 TYR A 49 -0.693 -9.067 -3.572 1.00 10.00 H new ATOM 0 HH TYR A 49 -1.857 -10.236 -5.046 1.00 10.00 H new ATOM 745 N SER A 50 6.678 -11.222 -2.347 1.00 10.00 N ATOM 746 CA SER A 50 8.122 -11.269 -2.202 1.00 10.00 C ATOM 747 C SER A 50 8.772 -11.885 -3.437 1.00 10.00 C ATOM 748 O SER A 50 9.863 -11.487 -3.844 1.00 10.00 O ATOM 749 CB SER A 50 8.479 -12.077 -0.952 1.00 10.00 C ATOM 750 OG SER A 50 7.384 -12.890 -0.551 1.00 10.00 O ATOM 0 H SER A 50 6.227 -12.137 -2.324 1.00 10.00 H new ATOM 0 HA SER A 50 8.501 -10.252 -2.097 1.00 10.00 H new ATOM 0 HB2 SER A 50 9.349 -12.703 -1.153 1.00 10.00 H new ATOM 0 HB3 SER A 50 8.753 -11.401 -0.142 1.00 10.00 H new ATOM 0 HG SER A 50 6.619 -12.320 -0.325 1.00 10.00 H new ATOM 756 N LYS A 51 8.087 -12.849 -4.038 1.00 10.00 N ATOM 757 CA LYS A 51 8.603 -13.531 -5.213 1.00 10.00 C ATOM 758 C LYS A 51 7.652 -13.385 -6.392 1.00 10.00 C ATOM 759 O LYS A 51 7.985 -12.773 -7.405 1.00 10.00 O ATOM 760 CB LYS A 51 8.817 -15.014 -4.913 1.00 10.00 C ATOM 761 CG LYS A 51 9.951 -15.295 -3.938 1.00 10.00 C ATOM 762 CD LYS A 51 9.942 -16.747 -3.480 1.00 10.00 C ATOM 763 CE LYS A 51 10.209 -17.703 -4.633 1.00 10.00 C ATOM 764 NZ LYS A 51 9.560 -19.022 -4.419 1.00 10.00 N ATOM 0 H LYS A 51 7.171 -13.175 -3.729 1.00 10.00 H new ATOM 0 HA LYS A 51 9.556 -13.071 -5.474 1.00 10.00 H new ATOM 0 HB2 LYS A 51 7.894 -15.428 -4.508 1.00 10.00 H new ATOM 0 HB3 LYS A 51 9.018 -15.537 -5.848 1.00 10.00 H new ATOM 0 HG2 LYS A 51 10.906 -15.067 -4.412 1.00 10.00 H new ATOM 0 HG3 LYS A 51 9.860 -14.638 -3.073 1.00 10.00 H new ATOM 0 HD2 LYS A 51 10.697 -16.889 -2.707 1.00 10.00 H new ATOM 0 HD3 LYS A 51 8.977 -16.980 -3.030 1.00 10.00 H new ATOM 0 HE2 LYS A 51 9.843 -17.264 -5.561 1.00 10.00 H new ATOM 0 HE3 LYS A 51 11.284 -17.842 -4.749 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 9.765 -19.645 -5.226 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 9.928 -19.453 -3.547 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 8.532 -18.893 -4.334 1.00 10.00 H new ATOM 778 N HIS A 52 6.467 -13.957 -6.258 1.00 10.00 N ATOM 779 CA HIS A 52 5.463 -13.900 -7.308 1.00 10.00 C ATOM 780 C HIS A 52 4.259 -13.110 -6.836 1.00 10.00 C ATOM 781 O HIS A 52 3.988 -12.040 -7.421 1.00 10.00 O ATOM 782 CB HIS A 52 5.040 -15.308 -7.732 1.00 10.00 C ATOM 783 CG HIS A 52 6.029 -15.980 -8.632 1.00 10.00 C ATOM 784 ND1 HIS A 52 5.832 -16.140 -9.985 1.00 10.00 N ATOM 785 CD2 HIS A 52 7.237 -16.524 -8.364 1.00 10.00 C ATOM 786 CE1 HIS A 52 6.879 -16.748 -10.509 1.00 10.00 C ATOM 787 NE2 HIS A 52 7.749 -16.991 -9.546 1.00 10.00 N ATOM 788 OXT HIS A 52 3.606 -13.550 -5.865 1.00 10.00 O ATOM 0 H HIS A 52 6.175 -14.470 -5.426 1.00 10.00 H new ATOM 0 HA HIS A 52 5.898 -13.399 -8.173 1.00 10.00 H new ATOM 0 HB2 HIS A 52 4.896 -15.920 -6.841 1.00 10.00 H new ATOM 0 HB3 HIS A 52 4.077 -15.253 -8.240 1.00 10.00 H new ATOM 0 HD2 HIS A 52 7.712 -16.580 -7.396 1.00 10.00 H new ATOM 0 HE1 HIS A 52 7.004 -17.004 -11.551 1.00 10.00 H new ATOM 0 HE2 HIS A 52 8.652 -17.450 -9.663 1.00 10.00 H new TER 797 HIS A 52 ATOM 798 N GLY B 1 -18.165 19.332 2.475 1.00 10.00 N ATOM 799 CA GLY B 1 -19.006 18.439 3.309 1.00 10.00 C ATOM 800 C GLY B 1 -19.610 17.321 2.491 1.00 10.00 C ATOM 801 O GLY B 1 -19.147 17.040 1.386 1.00 10.00 O ATOM 0 H1 GLY B 1 -17.295 19.572 2.992 1.00 10.00 H new ATOM 0 H2 GLY B 1 -17.918 18.848 1.588 1.00 10.00 H new ATOM 0 H3 GLY B 1 -18.691 20.203 2.259 1.00 10.00 H new ATOM 0 HA2 GLY B 1 -18.403 18.018 4.114 1.00 10.00 H new ATOM 0 HA3 GLY B 1 -19.801 19.019 3.777 1.00 10.00 H new ATOM 807 N SER B 2 -20.640 16.688 3.026 1.00 10.00 N ATOM 808 CA SER B 2 -21.308 15.597 2.334 1.00 10.00 C ATOM 809 C SER B 2 -22.532 16.117 1.582 1.00 10.00 C ATOM 810 O SER B 2 -23.554 16.443 2.191 1.00 10.00 O ATOM 811 CB SER B 2 -21.722 14.517 3.334 1.00 10.00 C ATOM 812 OG SER B 2 -20.825 14.473 4.436 1.00 10.00 O ATOM 0 H SER B 2 -21.033 16.911 3.940 1.00 10.00 H new ATOM 0 HA SER B 2 -20.615 15.163 1.613 1.00 10.00 H new ATOM 0 HB2 SER B 2 -22.733 14.715 3.691 1.00 10.00 H new ATOM 0 HB3 SER B 2 -21.743 13.546 2.839 1.00 10.00 H new ATOM 0 HG SER B 2 -21.111 13.776 5.063 1.00 10.00 H new ATOM 818 N PRO B 3 -22.441 16.227 0.252 1.00 10.00 N ATOM 819 CA PRO B 3 -23.541 16.708 -0.572 1.00 10.00 C ATOM 820 C PRO B 3 -24.495 15.587 -0.981 1.00 10.00 C ATOM 821 O PRO B 3 -24.072 14.443 -1.154 1.00 10.00 O ATOM 822 CB PRO B 3 -22.814 17.265 -1.794 1.00 10.00 C ATOM 823 CG PRO B 3 -21.598 16.409 -1.941 1.00 10.00 C ATOM 824 CD PRO B 3 -21.253 15.898 -0.559 1.00 10.00 C ATOM 0 HA PRO B 3 -24.169 17.432 -0.053 1.00 10.00 H new ATOM 0 HB2 PRO B 3 -23.442 17.216 -2.684 1.00 10.00 H new ATOM 0 HB3 PRO B 3 -22.545 18.312 -1.651 1.00 10.00 H new ATOM 0 HG2 PRO B 3 -21.789 15.580 -2.623 1.00 10.00 H new ATOM 0 HG3 PRO B 3 -20.770 16.982 -2.359 1.00 10.00 H new ATOM 0 HD2 PRO B 3 -21.060 14.825 -0.567 1.00 10.00 H new ATOM 0 HD3 PRO B 3 -20.357 16.380 -0.168 1.00 10.00 H new ATOM 832 N PRO B 4 -25.797 15.896 -1.153 1.00 10.00 N ATOM 833 CA PRO B 4 -26.803 14.902 -1.562 1.00 10.00 C ATOM 834 C PRO B 4 -26.546 14.369 -2.972 1.00 10.00 C ATOM 835 O PRO B 4 -27.236 13.466 -3.449 1.00 10.00 O ATOM 836 CB PRO B 4 -28.125 15.678 -1.522 1.00 10.00 C ATOM 837 CG PRO B 4 -27.844 16.894 -0.707 1.00 10.00 C ATOM 838 CD PRO B 4 -26.402 17.222 -0.946 1.00 10.00 C ATOM 0 HA PRO B 4 -26.792 14.027 -0.912 1.00 10.00 H new ATOM 0 HB2 PRO B 4 -28.455 15.945 -2.526 1.00 10.00 H new ATOM 0 HB3 PRO B 4 -28.919 15.080 -1.075 1.00 10.00 H new ATOM 0 HG2 PRO B 4 -28.488 17.722 -1.005 1.00 10.00 H new ATOM 0 HG3 PRO B 4 -28.033 16.708 0.350 1.00 10.00 H new ATOM 0 HD2 PRO B 4 -26.272 17.866 -1.816 1.00 10.00 H new ATOM 0 HD3 PRO B 4 -25.959 17.741 -0.096 1.00 10.00 H new ATOM 846 N GLU B 5 -25.548 14.943 -3.631 1.00 10.00 N ATOM 847 CA GLU B 5 -25.170 14.541 -4.978 1.00 10.00 C ATOM 848 C GLU B 5 -24.356 13.253 -4.934 1.00 10.00 C ATOM 849 O GLU B 5 -24.204 12.564 -5.945 1.00 10.00 O ATOM 850 CB GLU B 5 -24.353 15.652 -5.642 1.00 10.00 C ATOM 851 CG GLU B 5 -24.970 17.033 -5.494 1.00 10.00 C ATOM 852 CD GLU B 5 -26.288 17.171 -6.230 1.00 10.00 C ATOM 853 OE1 GLU B 5 -27.340 16.862 -5.638 1.00 10.00 O ATOM 854 OE2 GLU B 5 -26.271 17.599 -7.402 1.00 10.00 O ATOM 0 H GLU B 5 -24.980 15.698 -3.248 1.00 10.00 H new ATOM 0 HA GLU B 5 -26.074 14.365 -5.560 1.00 10.00 H new ATOM 0 HB2 GLU B 5 -23.352 15.662 -5.211 1.00 10.00 H new ATOM 0 HB3 GLU B 5 -24.241 15.425 -6.702 1.00 10.00 H new ATOM 0 HG2 GLU B 5 -25.126 17.244 -4.436 1.00 10.00 H new ATOM 0 HG3 GLU B 5 -24.270 17.780 -5.868 1.00 10.00 H new ATOM 861 N ALA B 6 -23.833 12.936 -3.755 1.00 10.00 N ATOM 862 CA ALA B 6 -23.038 11.735 -3.567 1.00 10.00 C ATOM 863 C ALA B 6 -23.916 10.593 -3.087 1.00 10.00 C ATOM 864 O ALA B 6 -24.778 10.782 -2.228 1.00 10.00 O ATOM 865 CB ALA B 6 -21.911 11.990 -2.576 1.00 10.00 C ATOM 0 H ALA B 6 -23.948 13.500 -2.913 1.00 10.00 H new ATOM 0 HA ALA B 6 -22.598 11.458 -4.525 1.00 10.00 H new ATOM 0 HB1 ALA B 6 -21.326 11.079 -2.448 1.00 10.00 H new ATOM 0 HB2 ALA B 6 -21.267 12.784 -2.954 1.00 10.00 H new ATOM 0 HB3 ALA B 6 -22.331 12.289 -1.616 1.00 10.00 H new ATOM 871 N ASP B 7 -23.707 9.415 -3.657 1.00 10.00 N ATOM 872 CA ASP B 7 -24.481 8.242 -3.279 1.00 10.00 C ATOM 873 C ASP B 7 -24.125 7.798 -1.863 1.00 10.00 C ATOM 874 O ASP B 7 -22.946 7.646 -1.529 1.00 10.00 O ATOM 875 CB ASP B 7 -24.238 7.096 -4.259 1.00 10.00 C ATOM 876 CG ASP B 7 -25.223 5.958 -4.071 1.00 10.00 C ATOM 877 OD1 ASP B 7 -25.008 5.120 -3.173 1.00 10.00 O ATOM 878 OD2 ASP B 7 -26.222 5.902 -4.816 1.00 10.00 O ATOM 0 H ASP B 7 -23.009 9.246 -4.382 1.00 10.00 H new ATOM 0 HA ASP B 7 -25.537 8.511 -3.309 1.00 10.00 H new ATOM 0 HB2 ASP B 7 -24.311 7.472 -5.279 1.00 10.00 H new ATOM 0 HB3 ASP B 7 -23.223 6.720 -4.130 1.00 10.00 H new ATOM 883 N PRO B 8 -25.143 7.563 -1.016 1.00 10.00 N ATOM 884 CA PRO B 8 -24.943 7.145 0.377 1.00 10.00 C ATOM 885 C PRO B 8 -24.200 5.816 0.502 1.00 10.00 C ATOM 886 O PRO B 8 -23.616 5.520 1.540 1.00 10.00 O ATOM 887 CB PRO B 8 -26.369 7.006 0.924 1.00 10.00 C ATOM 888 CG PRO B 8 -27.236 6.872 -0.282 1.00 10.00 C ATOM 889 CD PRO B 8 -26.573 7.690 -1.347 1.00 10.00 C ATOM 0 HA PRO B 8 -24.327 7.863 0.919 1.00 10.00 H new ATOM 0 HB2 PRO B 8 -26.459 6.135 1.573 1.00 10.00 H new ATOM 0 HB3 PRO B 8 -26.650 7.876 1.517 1.00 10.00 H new ATOM 0 HG2 PRO B 8 -27.325 5.829 -0.587 1.00 10.00 H new ATOM 0 HG3 PRO B 8 -28.245 7.233 -0.082 1.00 10.00 H new ATOM 0 HD2 PRO B 8 -26.792 7.309 -2.344 1.00 10.00 H new ATOM 0 HD3 PRO B 8 -26.903 8.729 -1.323 1.00 10.00 H new ATOM 897 N ARG B 9 -24.229 5.015 -0.553 1.00 10.00 N ATOM 898 CA ARG B 9 -23.553 3.728 -0.546 1.00 10.00 C ATOM 899 C ARG B 9 -22.149 3.862 -1.123 1.00 10.00 C ATOM 900 O ARG B 9 -21.247 3.107 -0.764 1.00 10.00 O ATOM 901 CB ARG B 9 -24.358 2.696 -1.341 1.00 10.00 C ATOM 902 CG ARG B 9 -25.712 2.384 -0.727 1.00 10.00 C ATOM 903 CD ARG B 9 -26.764 2.117 -1.794 1.00 10.00 C ATOM 904 NE ARG B 9 -27.030 3.301 -2.612 1.00 10.00 N ATOM 905 CZ ARG B 9 -28.251 3.742 -2.914 1.00 10.00 C ATOM 906 NH1 ARG B 9 -29.328 3.142 -2.422 1.00 10.00 N ATOM 907 NH2 ARG B 9 -28.395 4.790 -3.709 1.00 10.00 N ATOM 0 H ARG B 9 -24.713 5.234 -1.424 1.00 10.00 H new ATOM 0 HA ARG B 9 -23.474 3.386 0.486 1.00 10.00 H new ATOM 0 HB2 ARG B 9 -24.504 3.064 -2.357 1.00 10.00 H new ATOM 0 HB3 ARG B 9 -23.780 1.775 -1.416 1.00 10.00 H new ATOM 0 HG2 ARG B 9 -25.625 1.514 -0.076 1.00 10.00 H new ATOM 0 HG3 ARG B 9 -26.030 3.219 -0.103 1.00 10.00 H new ATOM 0 HD2 ARG B 9 -26.431 1.301 -2.435 1.00 10.00 H new ATOM 0 HD3 ARG B 9 -27.688 1.791 -1.318 1.00 10.00 H new ATOM 0 HE ARG B 9 -26.231 3.821 -2.974 1.00 10.00 H new ATOM 0 HH11 ARG B 9 -29.226 2.335 -1.806 1.00 10.00 H new ATOM 0 HH12 ARG B 9 -30.258 3.488 -2.660 1.00 10.00 H new ATOM 0 HH21 ARG B 9 -27.573 5.258 -4.089 1.00 10.00 H new ATOM 0 HH22 ARG B 9 -29.328 5.129 -3.942 1.00 10.00 H new ATOM 921 N LEU B 10 -21.967 4.832 -2.011 1.00 10.00 N ATOM 922 CA LEU B 10 -20.669 5.064 -2.635 1.00 10.00 C ATOM 923 C LEU B 10 -19.674 5.607 -1.614 1.00 10.00 C ATOM 924 O LEU B 10 -18.507 5.215 -1.597 1.00 10.00 O ATOM 925 CB LEU B 10 -20.804 6.042 -3.807 1.00 10.00 C ATOM 926 CG LEU B 10 -19.503 6.349 -4.557 1.00 10.00 C ATOM 927 CD1 LEU B 10 -18.962 5.097 -5.231 1.00 10.00 C ATOM 928 CD2 LEU B 10 -19.725 7.455 -5.578 1.00 10.00 C ATOM 0 H LEU B 10 -22.702 5.471 -2.316 1.00 10.00 H new ATOM 0 HA LEU B 10 -20.298 4.112 -3.014 1.00 10.00 H new ATOM 0 HB2 LEU B 10 -21.526 5.636 -4.516 1.00 10.00 H new ATOM 0 HB3 LEU B 10 -21.217 6.978 -3.432 1.00 10.00 H new ATOM 0 HG LEU B 10 -18.763 6.692 -3.834 1.00 10.00 H new ATOM 0 HD11 LEU B 10 -18.038 5.337 -5.758 1.00 10.00 H new ATOM 0 HD12 LEU B 10 -18.762 4.335 -4.477 1.00 10.00 H new ATOM 0 HD13 LEU B 10 -19.697 4.720 -5.942 1.00 10.00 H new ATOM 0 HD21 LEU B 10 -18.791 7.660 -6.101 1.00 10.00 H new ATOM 0 HD22 LEU B 10 -20.482 7.140 -6.296 1.00 10.00 H new ATOM 0 HD23 LEU B 10 -20.061 8.358 -5.069 1.00 10.00 H new ATOM 940 N ILE B 11 -20.146 6.497 -0.753 1.00 10.00 N ATOM 941 CA ILE B 11 -19.294 7.095 0.267 1.00 10.00 C ATOM 942 C ILE B 11 -18.973 6.092 1.378 1.00 10.00 C ATOM 943 O ILE B 11 -17.985 6.238 2.101 1.00 10.00 O ATOM 944 CB ILE B 11 -19.947 8.366 0.868 1.00 10.00 C ATOM 945 CG1 ILE B 11 -18.934 9.144 1.711 1.00 10.00 C ATOM 946 CG2 ILE B 11 -21.174 8.007 1.701 1.00 10.00 C ATOM 947 CD1 ILE B 11 -19.414 10.518 2.128 1.00 10.00 C ATOM 0 H ILE B 11 -21.113 6.821 -0.740 1.00 10.00 H new ATOM 0 HA ILE B 11 -18.361 7.383 -0.218 1.00 10.00 H new ATOM 0 HB ILE B 11 -20.271 9.002 0.044 1.00 10.00 H new ATOM 0 HG12 ILE B 11 -18.698 8.565 2.604 1.00 10.00 H new ATOM 0 HG13 ILE B 11 -18.008 9.249 1.145 1.00 10.00 H new ATOM 0 HG21 ILE B 11 -21.614 8.916 2.111 1.00 10.00 H new ATOM 0 HG22 ILE B 11 -21.906 7.502 1.071 1.00 10.00 H new ATOM 0 HG23 ILE B 11 -20.880 7.346 2.516 1.00 10.00 H new ATOM 0 HD11 ILE B 11 -18.643 11.008 2.722 1.00 10.00 H new ATOM 0 HD12 ILE B 11 -19.623 11.115 1.240 1.00 10.00 H new ATOM 0 HD13 ILE B 11 -20.323 10.421 2.722 1.00 10.00 H new ATOM 959 N GLU B 12 -19.789 5.045 1.479 1.00 10.00 N ATOM 960 CA GLU B 12 -19.604 4.022 2.504 1.00 10.00 C ATOM 961 C GLU B 12 -18.386 3.151 2.216 1.00 10.00 C ATOM 962 O GLU B 12 -17.944 2.399 3.083 1.00 10.00 O ATOM 963 CB GLU B 12 -20.852 3.151 2.632 1.00 10.00 C ATOM 964 CG GLU B 12 -21.969 3.813 3.422 1.00 10.00 C ATOM 965 CD GLU B 12 -21.600 4.074 4.872 1.00 10.00 C ATOM 966 OE1 GLU B 12 -20.712 4.912 5.132 1.00 10.00 O ATOM 967 OE2 GLU B 12 -22.207 3.446 5.761 1.00 10.00 O ATOM 0 H GLU B 12 -20.585 4.883 0.862 1.00 10.00 H new ATOM 0 HA GLU B 12 -19.434 4.538 3.449 1.00 10.00 H new ATOM 0 HB2 GLU B 12 -21.218 2.904 1.635 1.00 10.00 H new ATOM 0 HB3 GLU B 12 -20.583 2.211 3.114 1.00 10.00 H new ATOM 0 HG2 GLU B 12 -22.233 4.757 2.945 1.00 10.00 H new ATOM 0 HG3 GLU B 12 -22.855 3.179 3.387 1.00 10.00 H new ATOM 974 N SER B 13 -17.849 3.250 1.005 1.00 10.00 N ATOM 975 CA SER B 13 -16.672 2.476 0.623 1.00 10.00 C ATOM 976 C SER B 13 -15.512 2.751 1.584 1.00 10.00 C ATOM 977 O SER B 13 -14.747 1.850 1.930 1.00 10.00 O ATOM 978 CB SER B 13 -16.262 2.815 -0.812 1.00 10.00 C ATOM 979 OG SER B 13 -17.389 2.784 -1.678 1.00 10.00 O ATOM 0 H SER B 13 -18.210 3.859 0.270 1.00 10.00 H new ATOM 0 HA SER B 13 -16.921 1.416 0.678 1.00 10.00 H new ATOM 0 HB2 SER B 13 -15.803 3.803 -0.840 1.00 10.00 H new ATOM 0 HB3 SER B 13 -15.511 2.105 -1.158 1.00 10.00 H new ATOM 0 HG SER B 13 -17.694 3.699 -1.851 1.00 10.00 H new ATOM 985 N LEU B 14 -15.409 4.001 2.032 1.00 10.00 N ATOM 986 CA LEU B 14 -14.359 4.399 2.962 1.00 10.00 C ATOM 987 C LEU B 14 -14.624 3.793 4.333 1.00 10.00 C ATOM 988 O LEU B 14 -13.727 3.222 4.957 1.00 10.00 O ATOM 989 CB LEU B 14 -14.276 5.930 3.079 1.00 10.00 C ATOM 990 CG LEU B 14 -13.671 6.654 1.872 1.00 10.00 C ATOM 991 CD1 LEU B 14 -14.736 6.921 0.817 1.00 10.00 C ATOM 992 CD2 LEU B 14 -13.017 7.958 2.306 1.00 10.00 C ATOM 0 H LEU B 14 -16.042 4.755 1.764 1.00 10.00 H new ATOM 0 HA LEU B 14 -13.407 4.031 2.578 1.00 10.00 H new ATOM 0 HB2 LEU B 14 -15.280 6.319 3.247 1.00 10.00 H new ATOM 0 HB3 LEU B 14 -13.686 6.178 3.962 1.00 10.00 H new ATOM 0 HG LEU B 14 -12.907 6.011 1.435 1.00 10.00 H new ATOM 0 HD11 LEU B 14 -14.286 7.436 -0.032 1.00 10.00 H new ATOM 0 HD12 LEU B 14 -15.163 5.975 0.483 1.00 10.00 H new ATOM 0 HD13 LEU B 14 -15.523 7.543 1.243 1.00 10.00 H new ATOM 0 HD21 LEU B 14 -12.592 8.459 1.436 1.00 10.00 H new ATOM 0 HD22 LEU B 14 -13.764 8.603 2.768 1.00 10.00 H new ATOM 0 HD23 LEU B 14 -12.226 7.746 3.025 1.00 10.00 H new ATOM 1004 N SER B 15 -15.867 3.906 4.784 1.00 10.00 N ATOM 1005 CA SER B 15 -16.278 3.381 6.078 1.00 10.00 C ATOM 1006 C SER B 15 -16.108 1.865 6.139 1.00 10.00 C ATOM 1007 O SER B 15 -15.700 1.320 7.164 1.00 10.00 O ATOM 1008 CB SER B 15 -17.736 3.755 6.325 1.00 10.00 C ATOM 1009 OG SER B 15 -18.127 4.806 5.453 1.00 10.00 O ATOM 0 H SER B 15 -16.616 4.363 4.264 1.00 10.00 H new ATOM 0 HA SER B 15 -15.645 3.817 6.851 1.00 10.00 H new ATOM 0 HB2 SER B 15 -18.374 2.885 6.167 1.00 10.00 H new ATOM 0 HB3 SER B 15 -17.869 4.064 7.362 1.00 10.00 H new ATOM 0 HG SER B 15 -19.068 5.029 5.611 1.00 10.00 H new ATOM 1015 N GLN B 16 -16.418 1.194 5.033 1.00 10.00 N ATOM 1016 CA GLN B 16 -16.298 -0.258 4.956 1.00 10.00 C ATOM 1017 C GLN B 16 -14.855 -0.691 5.188 1.00 10.00 C ATOM 1018 O GLN B 16 -14.591 -1.613 5.961 1.00 10.00 O ATOM 1019 CB GLN B 16 -16.789 -0.763 3.599 1.00 10.00 C ATOM 1020 CG GLN B 16 -17.111 -2.248 3.584 1.00 10.00 C ATOM 1021 CD GLN B 16 -18.277 -2.605 4.491 1.00 10.00 C ATOM 1022 OE1 GLN B 16 -19.192 -1.806 4.694 1.00 10.00 O ATOM 1023 NE2 GLN B 16 -18.256 -3.811 5.036 1.00 10.00 N ATOM 0 H GLN B 16 -16.755 1.634 4.177 1.00 10.00 H new ATOM 0 HA GLN B 16 -16.920 -0.694 5.738 1.00 10.00 H new ATOM 0 HB2 GLN B 16 -17.680 -0.204 3.313 1.00 10.00 H new ATOM 0 HB3 GLN B 16 -16.028 -0.557 2.847 1.00 10.00 H new ATOM 0 HG2 GLN B 16 -17.342 -2.555 2.564 1.00 10.00 H new ATOM 0 HG3 GLN B 16 -16.230 -2.810 3.894 1.00 10.00 H new ATOM 0 HE21 GLN B 16 -17.480 -4.444 4.843 1.00 10.00 H new ATOM 0 HE22 GLN B 16 -19.016 -4.107 5.649 1.00 10.00 H new ATOM 1032 N MET B 17 -13.925 -0.010 4.528 1.00 10.00 N ATOM 1033 CA MET B 17 -12.509 -0.319 4.673 1.00 10.00 C ATOM 1034 C MET B 17 -12.059 -0.034 6.101 1.00 10.00 C ATOM 1035 O MET B 17 -11.293 -0.794 6.686 1.00 10.00 O ATOM 1036 CB MET B 17 -11.668 0.493 3.685 1.00 10.00 C ATOM 1037 CG MET B 17 -11.931 0.151 2.226 1.00 10.00 C ATOM 1038 SD MET B 17 -11.715 -1.605 1.867 1.00 10.00 S ATOM 1039 CE MET B 17 -9.943 -1.784 2.059 1.00 10.00 C ATOM 0 H MET B 17 -14.127 0.759 3.888 1.00 10.00 H new ATOM 0 HA MET B 17 -12.364 -1.377 4.455 1.00 10.00 H new ATOM 0 HB2 MET B 17 -11.865 1.554 3.841 1.00 10.00 H new ATOM 0 HB3 MET B 17 -10.612 0.330 3.902 1.00 10.00 H new ATOM 0 HG2 MET B 17 -12.947 0.448 1.966 1.00 10.00 H new ATOM 0 HG3 MET B 17 -11.258 0.731 1.595 1.00 10.00 H new ATOM 0 HE1 MET B 17 -9.530 -2.278 1.180 1.00 10.00 H new ATOM 0 HE2 MET B 17 -9.488 -0.800 2.170 1.00 10.00 H new ATOM 0 HE3 MET B 17 -9.732 -2.383 2.945 1.00 10.00 H new ATOM 1049 N LEU B 18 -12.566 1.062 6.655 1.00 10.00 N ATOM 1050 CA LEU B 18 -12.242 1.461 8.017 1.00 10.00 C ATOM 1051 C LEU B 18 -12.697 0.390 9.010 1.00 10.00 C ATOM 1052 O LEU B 18 -11.940 -0.016 9.891 1.00 10.00 O ATOM 1053 CB LEU B 18 -12.905 2.803 8.342 1.00 10.00 C ATOM 1054 CG LEU B 18 -12.630 3.355 9.740 1.00 10.00 C ATOM 1055 CD1 LEU B 18 -11.166 3.745 9.887 1.00 10.00 C ATOM 1056 CD2 LEU B 18 -13.533 4.542 10.020 1.00 10.00 C ATOM 0 H LEU B 18 -13.208 1.693 6.176 1.00 10.00 H new ATOM 0 HA LEU B 18 -11.161 1.572 8.101 1.00 10.00 H new ATOM 0 HB2 LEU B 18 -12.573 3.538 7.609 1.00 10.00 H new ATOM 0 HB3 LEU B 18 -13.983 2.694 8.219 1.00 10.00 H new ATOM 0 HG LEU B 18 -12.845 2.575 10.470 1.00 10.00 H new ATOM 0 HD11 LEU B 18 -10.992 4.135 10.890 1.00 10.00 H new ATOM 0 HD12 LEU B 18 -10.538 2.869 9.725 1.00 10.00 H new ATOM 0 HD13 LEU B 18 -10.918 4.510 9.152 1.00 10.00 H new ATOM 0 HD21 LEU B 18 -13.328 4.927 11.019 1.00 10.00 H new ATOM 0 HD22 LEU B 18 -13.345 5.324 9.284 1.00 10.00 H new ATOM 0 HD23 LEU B 18 -14.575 4.229 9.958 1.00 10.00 H new ATOM 1068 N SER B 19 -13.935 -0.075 8.843 1.00 10.00 N ATOM 1069 CA SER B 19 -14.497 -1.105 9.710 1.00 10.00 C ATOM 1070 C SER B 19 -13.806 -2.447 9.487 1.00 10.00 C ATOM 1071 O SER B 19 -13.832 -3.326 10.353 1.00 10.00 O ATOM 1072 CB SER B 19 -16.007 -1.244 9.463 1.00 10.00 C ATOM 1073 OG SER B 19 -16.708 -0.101 9.923 1.00 10.00 O ATOM 0 H SER B 19 -14.568 0.248 8.112 1.00 10.00 H new ATOM 0 HA SER B 19 -14.331 -0.802 10.744 1.00 10.00 H new ATOM 0 HB2 SER B 19 -16.193 -1.384 8.398 1.00 10.00 H new ATOM 0 HB3 SER B 19 -16.381 -2.133 9.971 1.00 10.00 H new ATOM 0 HG SER B 19 -17.666 -0.214 9.752 1.00 10.00 H new ATOM 1079 N MET B 20 -13.181 -2.601 8.325 1.00 10.00 N ATOM 1080 CA MET B 20 -12.474 -3.830 7.992 1.00 10.00 C ATOM 1081 C MET B 20 -11.106 -3.846 8.670 1.00 10.00 C ATOM 1082 O MET B 20 -10.385 -4.842 8.623 1.00 10.00 O ATOM 1083 CB MET B 20 -12.328 -3.960 6.473 1.00 10.00 C ATOM 1084 CG MET B 20 -12.017 -5.372 5.999 1.00 10.00 C ATOM 1085 SD MET B 20 -12.046 -5.533 4.201 1.00 10.00 S ATOM 1086 CE MET B 20 -13.777 -5.219 3.857 1.00 10.00 C ATOM 0 H MET B 20 -13.150 -1.887 7.597 1.00 10.00 H new ATOM 0 HA MET B 20 -13.049 -4.682 8.355 1.00 10.00 H new ATOM 0 HB2 MET B 20 -13.251 -3.624 6.000 1.00 10.00 H new ATOM 0 HB3 MET B 20 -11.535 -3.292 6.136 1.00 10.00 H new ATOM 0 HG2 MET B 20 -11.035 -5.666 6.369 1.00 10.00 H new ATOM 0 HG3 MET B 20 -12.740 -6.063 6.432 1.00 10.00 H new ATOM 0 HE1 MET B 20 -14.159 -5.987 3.185 1.00 10.00 H new ATOM 0 HE2 MET B 20 -14.342 -5.238 4.789 1.00 10.00 H new ATOM 0 HE3 MET B 20 -13.883 -4.241 3.388 1.00 10.00 H new ATOM 1096 N GLY B 21 -10.757 -2.732 9.304 1.00 10.00 N ATOM 1097 CA GLY B 21 -9.491 -2.635 9.993 1.00 10.00 C ATOM 1098 C GLY B 21 -8.417 -2.002 9.142 1.00 10.00 C ATOM 1099 O GLY B 21 -7.236 -2.053 9.485 1.00 10.00 O ATOM 0 H GLY B 21 -11.334 -1.892 9.351 1.00 10.00 H new ATOM 0 HA2 GLY B 21 -9.620 -2.050 10.904 1.00 10.00 H new ATOM 0 HA3 GLY B 21 -9.169 -3.631 10.297 1.00 10.00 H new ATOM 1103 N PHE B 22 -8.817 -1.404 8.032 1.00 10.00 N ATOM 1104 CA PHE B 22 -7.868 -0.767 7.139 1.00 10.00 C ATOM 1105 C PHE B 22 -7.785 0.723 7.419 1.00 10.00 C ATOM 1106 O PHE B 22 -8.789 1.435 7.383 1.00 10.00 O ATOM 1107 CB PHE B 22 -8.244 -1.013 5.675 1.00 10.00 C ATOM 1108 CG PHE B 22 -7.834 -2.367 5.169 1.00 10.00 C ATOM 1109 CD1 PHE B 22 -8.530 -3.504 5.547 1.00 10.00 C ATOM 1110 CD2 PHE B 22 -6.747 -2.503 4.320 1.00 10.00 C ATOM 1111 CE1 PHE B 22 -8.152 -4.752 5.088 1.00 10.00 C ATOM 1112 CE2 PHE B 22 -6.365 -3.746 3.857 1.00 10.00 C ATOM 1113 CZ PHE B 22 -7.067 -4.872 4.242 1.00 10.00 C ATOM 0 H PHE B 22 -9.790 -1.347 7.730 1.00 10.00 H new ATOM 0 HA PHE B 22 -6.888 -1.209 7.320 1.00 10.00 H new ATOM 0 HB2 PHE B 22 -9.323 -0.903 5.562 1.00 10.00 H new ATOM 0 HB3 PHE B 22 -7.779 -0.246 5.055 1.00 10.00 H new ATOM 0 HD1 PHE B 22 -9.379 -3.414 6.209 1.00 10.00 H new ATOM 0 HD2 PHE B 22 -6.193 -1.627 4.017 1.00 10.00 H new ATOM 0 HE1 PHE B 22 -8.703 -5.630 5.390 1.00 10.00 H new ATOM 0 HE2 PHE B 22 -5.518 -3.838 3.194 1.00 10.00 H new ATOM 0 HZ PHE B 22 -6.768 -5.845 3.882 1.00 10.00 H new ATOM 1123 N SER B 23 -6.584 1.180 7.716 1.00 10.00 N ATOM 1124 CA SER B 23 -6.328 2.581 8.001 1.00 10.00 C ATOM 1125 C SER B 23 -4.876 2.901 7.667 1.00 10.00 C ATOM 1126 O SER B 23 -3.966 2.173 8.065 1.00 10.00 O ATOM 1127 CB SER B 23 -6.620 2.885 9.473 1.00 10.00 C ATOM 1128 OG SER B 23 -7.854 2.313 9.878 1.00 10.00 O ATOM 0 H SER B 23 -5.754 0.589 7.767 1.00 10.00 H new ATOM 0 HA SER B 23 -6.983 3.203 7.391 1.00 10.00 H new ATOM 0 HB2 SER B 23 -5.814 2.496 10.095 1.00 10.00 H new ATOM 0 HB3 SER B 23 -6.648 3.964 9.626 1.00 10.00 H new ATOM 0 HG SER B 23 -8.016 2.520 10.822 1.00 10.00 H new ATOM 1134 N ASP B 24 -4.661 3.980 6.935 1.00 10.00 N ATOM 1135 CA ASP B 24 -3.318 4.373 6.527 1.00 10.00 C ATOM 1136 C ASP B 24 -2.645 5.247 7.579 1.00 10.00 C ATOM 1137 O ASP B 24 -3.309 5.867 8.410 1.00 10.00 O ATOM 1138 CB ASP B 24 -3.349 5.105 5.178 1.00 10.00 C ATOM 1139 CG ASP B 24 -4.430 6.174 5.078 1.00 10.00 C ATOM 1140 OD1 ASP B 24 -4.852 6.715 6.117 1.00 10.00 O ATOM 1141 OD2 ASP B 24 -4.849 6.476 3.943 1.00 10.00 O ATOM 0 H ASP B 24 -5.400 4.603 6.609 1.00 10.00 H new ATOM 0 HA ASP B 24 -2.733 3.460 6.420 1.00 10.00 H new ATOM 0 HB2 ASP B 24 -2.377 5.568 5.005 1.00 10.00 H new ATOM 0 HB3 ASP B 24 -3.500 4.375 4.383 1.00 10.00 H new ATOM 1146 N GLU B 25 -1.319 5.255 7.561 1.00 10.00 N ATOM 1147 CA GLU B 25 -0.539 6.059 8.497 1.00 10.00 C ATOM 1148 C GLU B 25 -0.088 7.352 7.830 1.00 10.00 C ATOM 1149 O GLU B 25 0.114 8.372 8.490 1.00 10.00 O ATOM 1150 CB GLU B 25 0.692 5.292 9.004 1.00 10.00 C ATOM 1151 CG GLU B 25 0.612 3.783 8.831 1.00 10.00 C ATOM 1152 CD GLU B 25 1.111 3.315 7.477 1.00 10.00 C ATOM 1153 OE1 GLU B 25 0.351 3.423 6.496 1.00 10.00 O ATOM 1154 OE2 GLU B 25 2.264 2.831 7.389 1.00 10.00 O ATOM 0 H GLU B 25 -0.757 4.712 6.906 1.00 10.00 H new ATOM 0 HA GLU B 25 -1.179 6.288 9.349 1.00 10.00 H new ATOM 0 HB2 GLU B 25 1.574 5.659 8.479 1.00 10.00 H new ATOM 0 HB3 GLU B 25 0.834 5.517 10.061 1.00 10.00 H new ATOM 0 HG2 GLU B 25 1.197 3.301 9.614 1.00 10.00 H new ATOM 0 HG3 GLU B 25 -0.421 3.462 8.962 1.00 10.00 H new ATOM 1161 N GLY B 26 0.080 7.298 6.511 1.00 10.00 N ATOM 1162 CA GLY B 26 0.514 8.463 5.769 1.00 10.00 C ATOM 1163 C GLY B 26 -0.525 8.953 4.782 1.00 10.00 C ATOM 1164 O GLY B 26 -0.225 9.771 3.914 1.00 10.00 O ATOM 0 H GLY B 26 -0.078 6.465 5.944 1.00 10.00 H new ATOM 0 HA2 GLY B 26 0.751 9.265 6.468 1.00 10.00 H new ATOM 0 HA3 GLY B 26 1.433 8.225 5.233 1.00 10.00 H new ATOM 1168 N GLY B 27 -1.746 8.445 4.910 1.00 10.00 N ATOM 1169 CA GLY B 27 -2.823 8.856 4.024 1.00 10.00 C ATOM 1170 C GLY B 27 -2.683 8.304 2.614 1.00 10.00 C ATOM 1171 O GLY B 27 -2.971 8.996 1.637 1.00 10.00 O ATOM 0 H GLY B 27 -2.011 7.755 5.612 1.00 10.00 H new ATOM 0 HA2 GLY B 27 -3.774 8.528 4.443 1.00 10.00 H new ATOM 0 HA3 GLY B 27 -2.853 9.945 3.980 1.00 10.00 H new ATOM 1175 N TRP B 28 -2.241 7.056 2.493 1.00 10.00 N ATOM 1176 CA TRP B 28 -2.067 6.445 1.178 1.00 10.00 C ATOM 1177 C TRP B 28 -3.266 5.589 0.764 1.00 10.00 C ATOM 1178 O TRP B 28 -3.465 5.332 -0.423 1.00 10.00 O ATOM 1179 CB TRP B 28 -0.773 5.628 1.110 1.00 10.00 C ATOM 1180 CG TRP B 28 -0.687 4.492 2.084 1.00 10.00 C ATOM 1181 CD1 TRP B 28 -0.292 4.558 3.386 1.00 10.00 C ATOM 1182 CD2 TRP B 28 -0.977 3.112 1.821 1.00 10.00 C ATOM 1183 NE1 TRP B 28 -0.325 3.309 3.954 1.00 10.00 N ATOM 1184 CE2 TRP B 28 -0.744 2.403 3.013 1.00 10.00 C ATOM 1185 CE3 TRP B 28 -1.421 2.411 0.696 1.00 10.00 C ATOM 1186 CZ2 TRP B 28 -0.931 1.023 3.106 1.00 10.00 C ATOM 1187 CZ3 TRP B 28 -1.604 1.044 0.789 1.00 10.00 C ATOM 1188 CH2 TRP B 28 -1.363 0.365 1.990 1.00 10.00 C ATOM 0 H TRP B 28 -1.999 6.453 3.279 1.00 10.00 H new ATOM 0 HA TRP B 28 -1.996 7.266 0.465 1.00 10.00 H new ATOM 0 HB2 TRP B 28 -0.665 5.230 0.101 1.00 10.00 H new ATOM 0 HB3 TRP B 28 0.070 6.297 1.280 1.00 10.00 H new ATOM 0 HD1 TRP B 28 0.004 5.462 3.897 1.00 10.00 H new ATOM 0 HE1 TRP B 28 -0.078 3.090 4.919 1.00 10.00 H new ATOM 0 HE3 TRP B 28 -1.618 2.929 -0.231 1.00 10.00 H new ATOM 0 HZ2 TRP B 28 -0.741 0.494 4.028 1.00 10.00 H new ATOM 0 HZ3 TRP B 28 -1.938 0.492 -0.077 1.00 10.00 H new ATOM 0 HH2 TRP B 28 -1.522 -0.702 2.035 1.00 10.00 H new ATOM 1199 N LEU B 29 -4.081 5.179 1.725 1.00 10.00 N ATOM 1200 CA LEU B 29 -5.254 4.361 1.424 1.00 10.00 C ATOM 1201 C LEU B 29 -6.290 5.209 0.705 1.00 10.00 C ATOM 1202 O LEU B 29 -6.971 4.741 -0.212 1.00 10.00 O ATOM 1203 CB LEU B 29 -5.853 3.768 2.702 1.00 10.00 C ATOM 1204 CG LEU B 29 -7.092 2.889 2.498 1.00 10.00 C ATOM 1205 CD1 LEU B 29 -6.712 1.554 1.873 1.00 10.00 C ATOM 1206 CD2 LEU B 29 -7.814 2.672 3.819 1.00 10.00 C ATOM 0 H LEU B 29 -3.956 5.396 2.714 1.00 10.00 H new ATOM 0 HA LEU B 29 -4.948 3.535 0.782 1.00 10.00 H new ATOM 0 HB2 LEU B 29 -5.086 3.176 3.202 1.00 10.00 H new ATOM 0 HB3 LEU B 29 -6.114 4.585 3.374 1.00 10.00 H new ATOM 0 HG LEU B 29 -7.766 3.405 1.815 1.00 10.00 H new ATOM 0 HD11 LEU B 29 -7.608 0.947 1.738 1.00 10.00 H new ATOM 0 HD12 LEU B 29 -6.241 1.726 0.905 1.00 10.00 H new ATOM 0 HD13 LEU B 29 -6.015 1.031 2.528 1.00 10.00 H new ATOM 0 HD21 LEU B 29 -8.691 2.046 3.656 1.00 10.00 H new ATOM 0 HD22 LEU B 29 -7.143 2.180 4.524 1.00 10.00 H new ATOM 0 HD23 LEU B 29 -8.126 3.634 4.226 1.00 10.00 H new ATOM 1218 N THR B 30 -6.381 6.468 1.109 1.00 10.00 N ATOM 1219 CA THR B 30 -7.313 7.402 0.493 1.00 10.00 C ATOM 1220 C THR B 30 -6.870 7.723 -0.937 1.00 10.00 C ATOM 1221 O THR B 30 -7.636 8.273 -1.731 1.00 10.00 O ATOM 1222 CB THR B 30 -7.436 8.702 1.325 1.00 10.00 C ATOM 1223 OG1 THR B 30 -8.482 9.533 0.806 1.00 10.00 O ATOM 1224 CG2 THR B 30 -6.129 9.486 1.337 1.00 10.00 C ATOM 0 H THR B 30 -5.820 6.867 1.862 1.00 10.00 H new ATOM 0 HA THR B 30 -8.295 6.931 0.462 1.00 10.00 H new ATOM 0 HB THR B 30 -7.674 8.410 2.348 1.00 10.00 H new ATOM 0 HG1 THR B 30 -8.594 9.358 -0.152 1.00 10.00 H new ATOM 0 HG21 THR B 30 -6.253 10.392 1.930 1.00 10.00 H new ATOM 0 HG22 THR B 30 -5.341 8.872 1.773 1.00 10.00 H new ATOM 0 HG23 THR B 30 -5.857 9.755 0.316 1.00 10.00 H new ATOM 1232 N ARG B 31 -5.623 7.372 -1.249 1.00 10.00 N ATOM 1233 CA ARG B 31 -5.063 7.588 -2.574 1.00 10.00 C ATOM 1234 C ARG B 31 -5.281 6.344 -3.426 1.00 10.00 C ATOM 1235 O ARG B 31 -5.534 6.430 -4.627 1.00 10.00 O ATOM 1236 CB ARG B 31 -3.562 7.893 -2.482 1.00 10.00 C ATOM 1237 CG ARG B 31 -3.226 9.049 -1.558 1.00 10.00 C ATOM 1238 CD ARG B 31 -3.427 10.388 -2.237 1.00 10.00 C ATOM 1239 NE ARG B 31 -2.173 10.933 -2.761 1.00 10.00 N ATOM 1240 CZ ARG B 31 -1.918 12.235 -2.878 1.00 10.00 C ATOM 1241 NH1 ARG B 31 -2.838 13.134 -2.533 1.00 10.00 N ATOM 1242 NH2 ARG B 31 -0.739 12.637 -3.338 1.00 10.00 N ATOM 0 H ARG B 31 -4.979 6.933 -0.591 1.00 10.00 H new ATOM 0 HA ARG B 31 -5.564 8.441 -3.032 1.00 10.00 H new ATOM 0 HB2 ARG B 31 -3.040 7.001 -2.136 1.00 10.00 H new ATOM 0 HB3 ARG B 31 -3.185 8.116 -3.480 1.00 10.00 H new ATOM 0 HG2 ARG B 31 -3.851 8.996 -0.667 1.00 10.00 H new ATOM 0 HG3 ARG B 31 -2.191 8.961 -1.227 1.00 10.00 H new ATOM 0 HD2 ARG B 31 -4.142 10.277 -3.052 1.00 10.00 H new ATOM 0 HD3 ARG B 31 -3.860 11.093 -1.527 1.00 10.00 H new ATOM 0 HE ARG B 31 -1.451 10.275 -3.054 1.00 10.00 H new ATOM 0 HH11 ARG B 31 -3.743 12.827 -2.177 1.00 10.00 H new ATOM 0 HH12 ARG B 31 -2.637 14.130 -2.625 1.00 10.00 H new ATOM 0 HH21 ARG B 31 -0.033 11.950 -3.600 1.00 10.00 H new ATOM 0 HH22 ARG B 31 -0.540 13.633 -3.429 1.00 10.00 H new ATOM 1256 N LEU B 32 -5.191 5.188 -2.781 1.00 10.00 N ATOM 1257 CA LEU B 32 -5.374 3.901 -3.439 1.00 10.00 C ATOM 1258 C LEU B 32 -6.760 3.795 -4.065 1.00 10.00 C ATOM 1259 O LEU B 32 -6.921 3.254 -5.156 1.00 10.00 O ATOM 1260 CB LEU B 32 -5.173 2.771 -2.427 1.00 10.00 C ATOM 1261 CG LEU B 32 -5.212 1.359 -3.009 1.00 10.00 C ATOM 1262 CD1 LEU B 32 -3.842 0.709 -2.921 1.00 10.00 C ATOM 1263 CD2 LEU B 32 -6.250 0.512 -2.292 1.00 10.00 C ATOM 0 H LEU B 32 -4.988 5.116 -1.784 1.00 10.00 H new ATOM 0 HA LEU B 32 -4.635 3.816 -4.235 1.00 10.00 H new ATOM 0 HB2 LEU B 32 -4.213 2.916 -1.932 1.00 10.00 H new ATOM 0 HB3 LEU B 32 -5.943 2.851 -1.660 1.00 10.00 H new ATOM 0 HG LEU B 32 -5.494 1.429 -4.060 1.00 10.00 H new ATOM 0 HD11 LEU B 32 -3.889 -0.296 -3.340 1.00 10.00 H new ATOM 0 HD12 LEU B 32 -3.121 1.303 -3.482 1.00 10.00 H new ATOM 0 HD13 LEU B 32 -3.532 0.653 -1.877 1.00 10.00 H new ATOM 0 HD21 LEU B 32 -6.262 -0.490 -2.722 1.00 10.00 H new ATOM 0 HD22 LEU B 32 -6.000 0.450 -1.233 1.00 10.00 H new ATOM 0 HD23 LEU B 32 -7.234 0.968 -2.407 1.00 10.00 H new ATOM 1275 N LEU B 33 -7.753 4.342 -3.375 1.00 10.00 N ATOM 1276 CA LEU B 33 -9.135 4.309 -3.848 1.00 10.00 C ATOM 1277 C LEU B 33 -9.327 5.209 -5.068 1.00 10.00 C ATOM 1278 O LEU B 33 -10.379 5.191 -5.707 1.00 10.00 O ATOM 1279 CB LEU B 33 -10.085 4.747 -2.728 1.00 10.00 C ATOM 1280 CG LEU B 33 -10.054 3.879 -1.467 1.00 10.00 C ATOM 1281 CD1 LEU B 33 -10.841 4.540 -0.346 1.00 10.00 C ATOM 1282 CD2 LEU B 33 -10.602 2.490 -1.758 1.00 10.00 C ATOM 0 H LEU B 33 -7.628 4.817 -2.481 1.00 10.00 H new ATOM 0 HA LEU B 33 -9.364 3.284 -4.141 1.00 10.00 H new ATOM 0 HB2 LEU B 33 -9.843 5.773 -2.449 1.00 10.00 H new ATOM 0 HB3 LEU B 33 -11.102 4.754 -3.119 1.00 10.00 H new ATOM 0 HG LEU B 33 -9.017 3.777 -1.146 1.00 10.00 H new ATOM 0 HD11 LEU B 33 -10.808 3.909 0.542 1.00 10.00 H new ATOM 0 HD12 LEU B 33 -10.403 5.512 -0.118 1.00 10.00 H new ATOM 0 HD13 LEU B 33 -11.877 4.673 -0.658 1.00 10.00 H new ATOM 0 HD21 LEU B 33 -10.571 1.889 -0.849 1.00 10.00 H new ATOM 0 HD22 LEU B 33 -11.632 2.571 -2.105 1.00 10.00 H new ATOM 0 HD23 LEU B 33 -9.996 2.014 -2.529 1.00 10.00 H new ATOM 1294 N GLN B 34 -8.315 6.001 -5.387 1.00 10.00 N ATOM 1295 CA GLN B 34 -8.389 6.902 -6.527 1.00 10.00 C ATOM 1296 C GLN B 34 -7.792 6.254 -7.771 1.00 10.00 C ATOM 1297 O GLN B 34 -8.309 6.412 -8.874 1.00 10.00 O ATOM 1298 CB GLN B 34 -7.658 8.211 -6.229 1.00 10.00 C ATOM 1299 CG GLN B 34 -8.057 8.853 -4.909 1.00 10.00 C ATOM 1300 CD GLN B 34 -9.541 9.148 -4.824 1.00 10.00 C ATOM 1301 OE1 GLN B 34 -10.175 9.517 -5.815 1.00 10.00 O ATOM 1302 NE2 GLN B 34 -10.107 8.982 -3.639 1.00 10.00 N ATOM 0 H GLN B 34 -7.434 6.038 -4.874 1.00 10.00 H new ATOM 0 HA GLN B 34 -9.441 7.117 -6.713 1.00 10.00 H new ATOM 0 HB2 GLN B 34 -6.584 8.022 -6.220 1.00 10.00 H new ATOM 0 HB3 GLN B 34 -7.851 8.916 -7.038 1.00 10.00 H new ATOM 0 HG2 GLN B 34 -7.775 8.192 -4.089 1.00 10.00 H new ATOM 0 HG3 GLN B 34 -7.499 9.780 -4.778 1.00 10.00 H new ATOM 0 HE21 GLN B 34 -9.546 8.675 -2.844 1.00 10.00 H new ATOM 0 HE22 GLN B 34 -11.104 9.161 -3.521 1.00 10.00 H new ATOM 1311 N THR B 35 -6.697 5.528 -7.586 1.00 10.00 N ATOM 1312 CA THR B 35 -6.020 4.873 -8.696 1.00 10.00 C ATOM 1313 C THR B 35 -6.560 3.467 -8.949 1.00 10.00 C ATOM 1314 O THR B 35 -6.719 3.052 -10.097 1.00 10.00 O ATOM 1315 CB THR B 35 -4.502 4.805 -8.445 1.00 10.00 C ATOM 1316 OG1 THR B 35 -4.245 4.510 -7.063 1.00 10.00 O ATOM 1317 CG2 THR B 35 -3.835 6.119 -8.816 1.00 10.00 C ATOM 0 H THR B 35 -6.259 5.378 -6.677 1.00 10.00 H new ATOM 0 HA THR B 35 -6.215 5.475 -9.584 1.00 10.00 H new ATOM 0 HB THR B 35 -4.088 4.013 -9.070 1.00 10.00 H new ATOM 0 HG1 THR B 35 -3.322 4.196 -6.962 1.00 10.00 H new ATOM 0 HG21 THR B 35 -2.763 6.048 -8.631 1.00 10.00 H new ATOM 0 HG22 THR B 35 -4.008 6.329 -9.872 1.00 10.00 H new ATOM 0 HG23 THR B 35 -4.255 6.923 -8.212 1.00 10.00 H new ATOM 1325 N LYS B 36 -6.856 2.740 -7.885 1.00 10.00 N ATOM 1326 CA LYS B 36 -7.369 1.381 -8.019 1.00 10.00 C ATOM 1327 C LYS B 36 -8.887 1.355 -7.874 1.00 10.00 C ATOM 1328 O LYS B 36 -9.485 0.283 -7.762 1.00 10.00 O ATOM 1329 CB LYS B 36 -6.724 0.453 -6.982 1.00 10.00 C ATOM 1330 CG LYS B 36 -5.294 0.056 -7.329 1.00 10.00 C ATOM 1331 CD LYS B 36 -4.274 0.916 -6.601 1.00 10.00 C ATOM 1332 CE LYS B 36 -2.855 0.580 -7.029 1.00 10.00 C ATOM 1333 NZ LYS B 36 -2.325 1.557 -8.011 1.00 10.00 N ATOM 0 H LYS B 36 -6.752 3.063 -6.923 1.00 10.00 H new ATOM 0 HA LYS B 36 -7.111 1.023 -9.016 1.00 10.00 H new ATOM 0 HB2 LYS B 36 -6.730 0.947 -6.010 1.00 10.00 H new ATOM 0 HB3 LYS B 36 -7.330 -0.448 -6.886 1.00 10.00 H new ATOM 0 HG2 LYS B 36 -5.135 -0.991 -7.072 1.00 10.00 H new ATOM 0 HG3 LYS B 36 -5.143 0.146 -8.405 1.00 10.00 H new ATOM 0 HD2 LYS B 36 -4.476 1.969 -6.800 1.00 10.00 H new ATOM 0 HD3 LYS B 36 -4.375 0.770 -5.526 1.00 10.00 H new ATOM 0 HE2 LYS B 36 -2.207 0.559 -6.153 1.00 10.00 H new ATOM 0 HE3 LYS B 36 -2.835 -0.419 -7.464 1.00 10.00 H new ATOM 0 HZ1 LYS B 36 -1.595 1.101 -8.595 1.00 10.00 H new ATOM 0 HZ2 LYS B 36 -3.098 1.890 -8.622 1.00 10.00 H new ATOM 0 HZ3 LYS B 36 -1.910 2.366 -7.506 1.00 10.00 H new ATOM 1347 N ASN B 37 -9.491 2.545 -7.891 1.00 10.00 N ATOM 1348 CA ASN B 37 -10.946 2.697 -7.774 1.00 10.00 C ATOM 1349 C ASN B 37 -11.429 2.341 -6.366 1.00 10.00 C ATOM 1350 O ASN B 37 -10.675 1.824 -5.543 1.00 10.00 O ATOM 1351 CB ASN B 37 -11.665 1.837 -8.830 1.00 10.00 C ATOM 1352 CG ASN B 37 -13.141 2.166 -8.955 1.00 10.00 C ATOM 1353 OD1 ASN B 37 -13.554 3.307 -8.755 1.00 10.00 O ATOM 1354 ND2 ASN B 37 -13.949 1.169 -9.281 1.00 10.00 N ATOM 0 H ASN B 37 -8.989 3.428 -7.986 1.00 10.00 H new ATOM 0 HA ASN B 37 -11.191 3.744 -7.955 1.00 10.00 H new ATOM 0 HB2 ASN B 37 -11.183 1.980 -9.797 1.00 10.00 H new ATOM 0 HB3 ASN B 37 -11.553 0.784 -8.571 1.00 10.00 H new ATOM 0 HD21 ASN B 37 -14.951 1.334 -9.374 1.00 10.00 H new ATOM 0 HD22 ASN B 37 -13.569 0.236 -9.439 1.00 10.00 H new ATOM 1361 N TYR B 38 -12.695 2.632 -6.093 1.00 10.00 N ATOM 1362 CA TYR B 38 -13.295 2.354 -4.794 1.00 10.00 C ATOM 1363 C TYR B 38 -13.801 0.915 -4.732 1.00 10.00 C ATOM 1364 O TYR B 38 -14.815 0.626 -4.098 1.00 10.00 O ATOM 1365 CB TYR B 38 -14.448 3.324 -4.520 1.00 10.00 C ATOM 1366 CG TYR B 38 -14.025 4.768 -4.364 1.00 10.00 C ATOM 1367 CD1 TYR B 38 -13.826 5.576 -5.477 1.00 10.00 C ATOM 1368 CD2 TYR B 38 -13.831 5.324 -3.106 1.00 10.00 C ATOM 1369 CE1 TYR B 38 -13.444 6.898 -5.338 1.00 10.00 C ATOM 1370 CE2 TYR B 38 -13.451 6.644 -2.960 1.00 10.00 C ATOM 1371 CZ TYR B 38 -13.260 7.426 -4.078 1.00 10.00 C ATOM 1372 OH TYR B 38 -12.881 8.743 -3.934 1.00 10.00 O ATOM 0 H TYR B 38 -13.332 3.065 -6.762 1.00 10.00 H new ATOM 0 HA TYR B 38 -12.530 2.489 -4.030 1.00 10.00 H new ATOM 0 HB2 TYR B 38 -15.167 3.255 -5.336 1.00 10.00 H new ATOM 0 HB3 TYR B 38 -14.964 3.009 -3.613 1.00 10.00 H new ATOM 0 HD1 TYR B 38 -13.972 5.166 -6.465 1.00 10.00 H new ATOM 0 HD2 TYR B 38 -13.980 4.714 -2.227 1.00 10.00 H new ATOM 0 HE1 TYR B 38 -13.291 7.513 -6.212 1.00 10.00 H new ATOM 0 HE2 TYR B 38 -13.304 7.061 -1.975 1.00 10.00 H new ATOM 0 HH TYR B 38 -13.023 9.025 -3.006 1.00 10.00 H new ATOM 1382 N ASP B 39 -13.084 0.014 -5.388 1.00 10.00 N ATOM 1383 CA ASP B 39 -13.458 -1.388 -5.410 1.00 10.00 C ATOM 1384 C ASP B 39 -12.802 -2.121 -4.251 1.00 10.00 C ATOM 1385 O ASP B 39 -11.584 -2.308 -4.231 1.00 10.00 O ATOM 1386 CB ASP B 39 -13.063 -2.034 -6.739 1.00 10.00 C ATOM 1387 CG ASP B 39 -13.718 -3.388 -6.934 1.00 10.00 C ATOM 1388 OD1 ASP B 39 -13.285 -4.365 -6.292 1.00 10.00 O ATOM 1389 OD2 ASP B 39 -14.677 -3.479 -7.732 1.00 10.00 O ATOM 0 H ASP B 39 -12.237 0.233 -5.913 1.00 10.00 H new ATOM 0 HA ASP B 39 -14.541 -1.458 -5.306 1.00 10.00 H new ATOM 0 HB2 ASP B 39 -13.345 -1.374 -7.560 1.00 10.00 H new ATOM 0 HB3 ASP B 39 -11.980 -2.147 -6.778 1.00 10.00 H new ATOM 1394 N ILE B 40 -13.620 -2.529 -3.291 1.00 10.00 N ATOM 1395 CA ILE B 40 -13.144 -3.231 -2.107 1.00 10.00 C ATOM 1396 C ILE B 40 -12.429 -4.528 -2.483 1.00 10.00 C ATOM 1397 O ILE B 40 -11.374 -4.845 -1.932 1.00 10.00 O ATOM 1398 CB ILE B 40 -14.309 -3.543 -1.140 1.00 10.00 C ATOM 1399 CG1 ILE B 40 -15.055 -2.254 -0.775 1.00 10.00 C ATOM 1400 CG2 ILE B 40 -13.795 -4.237 0.117 1.00 10.00 C ATOM 1401 CD1 ILE B 40 -16.350 -2.496 -0.031 1.00 10.00 C ATOM 0 H ILE B 40 -14.629 -2.383 -3.310 1.00 10.00 H new ATOM 0 HA ILE B 40 -12.435 -2.573 -1.605 1.00 10.00 H new ATOM 0 HB ILE B 40 -15.003 -4.218 -1.642 1.00 10.00 H new ATOM 0 HG12 ILE B 40 -14.405 -1.628 -0.163 1.00 10.00 H new ATOM 0 HG13 ILE B 40 -15.268 -1.696 -1.687 1.00 10.00 H new ATOM 0 HG21 ILE B 40 -14.631 -4.448 0.784 1.00 10.00 H new ATOM 0 HG22 ILE B 40 -13.306 -5.171 -0.158 1.00 10.00 H new ATOM 0 HG23 ILE B 40 -13.081 -3.589 0.624 1.00 10.00 H new ATOM 0 HD11 ILE B 40 -16.824 -1.541 0.195 1.00 10.00 H new ATOM 0 HD12 ILE B 40 -17.018 -3.095 -0.649 1.00 10.00 H new ATOM 0 HD13 ILE B 40 -16.142 -3.026 0.898 1.00 10.00 H new ATOM 1413 N GLY B 41 -13.001 -5.259 -3.434 1.00 10.00 N ATOM 1414 CA GLY B 41 -12.409 -6.510 -3.871 1.00 10.00 C ATOM 1415 C GLY B 41 -11.014 -6.323 -4.432 1.00 10.00 C ATOM 1416 O GLY B 41 -10.078 -7.025 -4.043 1.00 10.00 O ATOM 0 H GLY B 41 -13.866 -5.006 -3.911 1.00 10.00 H new ATOM 0 HA2 GLY B 41 -12.370 -7.204 -3.031 1.00 10.00 H new ATOM 0 HA3 GLY B 41 -13.045 -6.964 -4.630 1.00 10.00 H new ATOM 1420 N ALA B 42 -10.875 -5.366 -5.338 1.00 10.00 N ATOM 1421 CA ALA B 42 -9.588 -5.077 -5.956 1.00 10.00 C ATOM 1422 C ALA B 42 -8.589 -4.562 -4.921 1.00 10.00 C ATOM 1423 O ALA B 42 -7.412 -4.935 -4.938 1.00 10.00 O ATOM 1424 CB ALA B 42 -9.753 -4.067 -7.083 1.00 10.00 C ATOM 0 H ALA B 42 -11.640 -4.774 -5.663 1.00 10.00 H new ATOM 0 HA ALA B 42 -9.197 -6.005 -6.374 1.00 10.00 H new ATOM 0 HB1 ALA B 42 -8.782 -3.863 -7.534 1.00 10.00 H new ATOM 0 HB2 ALA B 42 -10.426 -4.472 -7.839 1.00 10.00 H new ATOM 0 HB3 ALA B 42 -10.170 -3.142 -6.685 1.00 10.00 H new ATOM 1430 N ALA B 43 -9.072 -3.716 -4.017 1.00 10.00 N ATOM 1431 CA ALA B 43 -8.235 -3.139 -2.968 1.00 10.00 C ATOM 1432 C ALA B 43 -7.700 -4.215 -2.028 1.00 10.00 C ATOM 1433 O ALA B 43 -6.514 -4.231 -1.700 1.00 10.00 O ATOM 1434 CB ALA B 43 -9.023 -2.098 -2.187 1.00 10.00 C ATOM 0 H ALA B 43 -10.045 -3.412 -3.989 1.00 10.00 H new ATOM 0 HA ALA B 43 -7.380 -2.658 -3.443 1.00 10.00 H new ATOM 0 HB1 ALA B 43 -8.391 -1.673 -1.407 1.00 10.00 H new ATOM 0 HB2 ALA B 43 -9.348 -1.306 -2.862 1.00 10.00 H new ATOM 0 HB3 ALA B 43 -9.895 -2.568 -1.732 1.00 10.00 H new ATOM 1440 N LEU B 44 -8.580 -5.112 -1.613 1.00 10.00 N ATOM 1441 CA LEU B 44 -8.221 -6.196 -0.708 1.00 10.00 C ATOM 1442 C LEU B 44 -7.184 -7.124 -1.340 1.00 10.00 C ATOM 1443 O LEU B 44 -6.247 -7.578 -0.682 1.00 10.00 O ATOM 1444 CB LEU B 44 -9.479 -6.988 -0.349 1.00 10.00 C ATOM 1445 CG LEU B 44 -9.324 -7.994 0.793 1.00 10.00 C ATOM 1446 CD1 LEU B 44 -9.089 -7.280 2.116 1.00 10.00 C ATOM 1447 CD2 LEU B 44 -10.549 -8.891 0.876 1.00 10.00 C ATOM 0 H LEU B 44 -9.561 -5.111 -1.892 1.00 10.00 H new ATOM 0 HA LEU B 44 -7.781 -5.767 0.192 1.00 10.00 H new ATOM 0 HB2 LEU B 44 -10.267 -6.283 -0.084 1.00 10.00 H new ATOM 0 HB3 LEU B 44 -9.816 -7.523 -1.237 1.00 10.00 H new ATOM 0 HG LEU B 44 -8.453 -8.616 0.587 1.00 10.00 H new ATOM 0 HD11 LEU B 44 -8.982 -8.016 2.913 1.00 10.00 H new ATOM 0 HD12 LEU B 44 -8.180 -6.682 2.050 1.00 10.00 H new ATOM 0 HD13 LEU B 44 -9.936 -6.630 2.334 1.00 10.00 H new ATOM 0 HD21 LEU B 44 -10.425 -9.602 1.693 1.00 10.00 H new ATOM 0 HD22 LEU B 44 -11.435 -8.282 1.057 1.00 10.00 H new ATOM 0 HD23 LEU B 44 -10.667 -9.433 -0.062 1.00 10.00 H new ATOM 1459 N ASP B 45 -7.355 -7.382 -2.626 1.00 10.00 N ATOM 1460 CA ASP B 45 -6.455 -8.261 -3.374 1.00 10.00 C ATOM 1461 C ASP B 45 -5.139 -7.560 -3.724 1.00 10.00 C ATOM 1462 O ASP B 45 -4.218 -8.183 -4.245 1.00 10.00 O ATOM 1463 CB ASP B 45 -7.156 -8.744 -4.649 1.00 10.00 C ATOM 1464 CG ASP B 45 -6.466 -9.923 -5.311 1.00 10.00 C ATOM 1465 OD1 ASP B 45 -6.234 -10.951 -4.634 1.00 10.00 O ATOM 1466 OD2 ASP B 45 -6.164 -9.837 -6.521 1.00 10.00 O ATOM 0 H ASP B 45 -8.116 -6.993 -3.183 1.00 10.00 H new ATOM 0 HA ASP B 45 -6.210 -9.115 -2.743 1.00 10.00 H new ATOM 0 HB2 ASP B 45 -8.181 -9.023 -4.407 1.00 10.00 H new ATOM 0 HB3 ASP B 45 -7.209 -7.919 -5.359 1.00 10.00 H new ATOM 1471 N THR B 46 -5.052 -6.267 -3.435 1.00 10.00 N ATOM 1472 CA THR B 46 -3.849 -5.496 -3.738 1.00 10.00 C ATOM 1473 C THR B 46 -2.664 -5.889 -2.841 1.00 10.00 C ATOM 1474 O THR B 46 -1.516 -5.897 -3.293 1.00 10.00 O ATOM 1475 CB THR B 46 -4.119 -3.975 -3.608 1.00 10.00 C ATOM 1476 OG1 THR B 46 -5.099 -3.563 -4.574 1.00 10.00 O ATOM 1477 CG2 THR B 46 -2.842 -3.168 -3.816 1.00 10.00 C ATOM 0 H THR B 46 -5.798 -5.730 -2.992 1.00 10.00 H new ATOM 0 HA THR B 46 -3.582 -5.729 -4.769 1.00 10.00 H new ATOM 0 HB THR B 46 -4.491 -3.789 -2.600 1.00 10.00 H new ATOM 0 HG1 THR B 46 -5.803 -4.242 -4.636 1.00 10.00 H new ATOM 0 HG21 THR B 46 -3.063 -2.105 -3.719 1.00 10.00 H new ATOM 0 HG22 THR B 46 -2.104 -3.455 -3.067 1.00 10.00 H new ATOM 0 HG23 THR B 46 -2.444 -3.366 -4.811 1.00 10.00 H new ATOM 1485 N ILE B 47 -2.930 -6.242 -1.589 1.00 10.00 N ATOM 1486 CA ILE B 47 -1.850 -6.589 -0.669 1.00 10.00 C ATOM 1487 C ILE B 47 -1.875 -8.058 -0.242 1.00 10.00 C ATOM 1488 O ILE B 47 -1.230 -8.420 0.737 1.00 10.00 O ATOM 1489 CB ILE B 47 -1.878 -5.699 0.591 1.00 10.00 C ATOM 1490 CG1 ILE B 47 -3.213 -5.843 1.320 1.00 10.00 C ATOM 1491 CG2 ILE B 47 -1.629 -4.241 0.217 1.00 10.00 C ATOM 1492 CD1 ILE B 47 -3.235 -5.173 2.680 1.00 10.00 C ATOM 0 H ILE B 47 -3.868 -6.296 -1.191 1.00 10.00 H new ATOM 0 HA ILE B 47 -0.928 -6.415 -1.224 1.00 10.00 H new ATOM 0 HB ILE B 47 -1.083 -6.026 1.262 1.00 10.00 H new ATOM 0 HG12 ILE B 47 -4.003 -5.418 0.701 1.00 10.00 H new ATOM 0 HG13 ILE B 47 -3.439 -6.902 1.442 1.00 10.00 H new ATOM 0 HG21 ILE B 47 -1.652 -3.626 1.116 1.00 10.00 H new ATOM 0 HG22 ILE B 47 -0.654 -4.149 -0.261 1.00 10.00 H new ATOM 0 HG23 ILE B 47 -2.404 -3.905 -0.472 1.00 10.00 H new ATOM 0 HD11 ILE B 47 -4.213 -5.315 3.140 1.00 10.00 H new ATOM 0 HD12 ILE B 47 -2.467 -5.614 3.316 1.00 10.00 H new ATOM 0 HD13 ILE B 47 -3.041 -4.107 2.564 1.00 10.00 H new ATOM 1504 N GLN B 48 -2.626 -8.890 -0.970 1.00 10.00 N ATOM 1505 CA GLN B 48 -2.731 -10.336 -0.689 1.00 10.00 C ATOM 1506 C GLN B 48 -3.526 -10.640 0.585 1.00 10.00 C ATOM 1507 O GLN B 48 -4.257 -11.628 0.632 1.00 10.00 O ATOM 1508 CB GLN B 48 -1.344 -10.992 -0.600 1.00 10.00 C ATOM 1509 CG GLN B 48 -0.980 -11.813 -1.827 1.00 10.00 C ATOM 1510 CD GLN B 48 -1.807 -13.075 -1.961 1.00 10.00 C ATOM 1511 OE1 GLN B 48 -2.204 -13.687 -0.968 1.00 10.00 O ATOM 1512 NE2 GLN B 48 -2.075 -13.473 -3.195 1.00 10.00 N ATOM 0 H GLN B 48 -3.180 -8.586 -1.771 1.00 10.00 H new ATOM 0 HA GLN B 48 -3.278 -10.762 -1.530 1.00 10.00 H new ATOM 0 HB2 GLN B 48 -0.592 -10.216 -0.456 1.00 10.00 H new ATOM 0 HB3 GLN B 48 -1.311 -11.634 0.280 1.00 10.00 H new ATOM 0 HG2 GLN B 48 -1.113 -11.201 -2.719 1.00 10.00 H new ATOM 0 HG3 GLN B 48 0.076 -12.080 -1.779 1.00 10.00 H new ATOM 0 HE21 GLN B 48 -1.727 -12.937 -3.990 1.00 10.00 H new ATOM 0 HE22 GLN B 48 -2.629 -14.315 -3.350 1.00 10.00 H new ATOM 1521 N TYR B 49 -3.369 -9.813 1.613 1.00 10.00 N ATOM 1522 CA TYR B 49 -4.083 -10.004 2.873 1.00 10.00 C ATOM 1523 C TYR B 49 -5.589 -9.869 2.668 1.00 10.00 C ATOM 1524 O TYR B 49 -6.147 -8.781 2.784 1.00 10.00 O ATOM 1525 CB TYR B 49 -3.606 -8.993 3.923 1.00 10.00 C ATOM 1526 CG TYR B 49 -2.146 -9.131 4.291 1.00 10.00 C ATOM 1527 CD1 TYR B 49 -1.727 -10.097 5.196 1.00 10.00 C ATOM 1528 CD2 TYR B 49 -1.185 -8.298 3.732 1.00 10.00 C ATOM 1529 CE1 TYR B 49 -0.395 -10.229 5.534 1.00 10.00 C ATOM 1530 CE2 TYR B 49 0.149 -8.425 4.065 1.00 10.00 C ATOM 1531 CZ TYR B 49 0.540 -9.392 4.964 1.00 10.00 C ATOM 1532 OH TYR B 49 1.870 -9.523 5.292 1.00 10.00 O ATOM 0 H TYR B 49 -2.752 -9.001 1.599 1.00 10.00 H new ATOM 0 HA TYR B 49 -3.868 -11.011 3.231 1.00 10.00 H new ATOM 0 HB2 TYR B 49 -3.782 -7.985 3.548 1.00 10.00 H new ATOM 0 HB3 TYR B 49 -4.209 -9.108 4.823 1.00 10.00 H new ATOM 0 HD1 TYR B 49 -2.456 -10.757 5.643 1.00 10.00 H new ATOM 0 HD2 TYR B 49 -1.486 -7.539 3.025 1.00 10.00 H new ATOM 0 HE1 TYR B 49 -0.087 -10.985 6.242 1.00 10.00 H new ATOM 0 HE2 TYR B 49 0.883 -7.768 3.622 1.00 10.00 H new ATOM 0 HH TYR B 49 2.406 -8.929 4.726 1.00 10.00 H new ATOM 1542 N SER B 50 -6.233 -10.978 2.342 1.00 10.00 N ATOM 1543 CA SER B 50 -7.664 -10.991 2.113 1.00 10.00 C ATOM 1544 C SER B 50 -8.364 -11.842 3.165 1.00 10.00 C ATOM 1545 O SER B 50 -9.321 -11.401 3.800 1.00 10.00 O ATOM 1546 CB SER B 50 -7.963 -11.530 0.711 1.00 10.00 C ATOM 1547 OG SER B 50 -7.067 -10.988 -0.247 1.00 10.00 O ATOM 0 H SER B 50 -5.781 -11.886 2.230 1.00 10.00 H new ATOM 0 HA SER B 50 -8.040 -9.971 2.189 1.00 10.00 H new ATOM 0 HB2 SER B 50 -7.885 -12.617 0.712 1.00 10.00 H new ATOM 0 HB3 SER B 50 -8.988 -11.284 0.435 1.00 10.00 H new ATOM 0 HG SER B 50 -6.161 -11.316 -0.070 1.00 10.00 H new ATOM 1553 N LYS B 51 -7.879 -13.066 3.347 1.00 10.00 N ATOM 1554 CA LYS B 51 -8.458 -13.969 4.331 1.00 10.00 C ATOM 1555 C LYS B 51 -8.064 -13.534 5.735 1.00 10.00 C ATOM 1556 O LYS B 51 -8.873 -13.572 6.661 1.00 10.00 O ATOM 1557 CB LYS B 51 -8.008 -15.411 4.075 1.00 10.00 C ATOM 1558 CG LYS B 51 -8.614 -16.020 2.820 1.00 10.00 C ATOM 1559 CD LYS B 51 -8.361 -17.517 2.748 1.00 10.00 C ATOM 1560 CE LYS B 51 -9.117 -18.266 3.834 1.00 10.00 C ATOM 1561 NZ LYS B 51 -8.217 -19.125 4.647 1.00 10.00 N ATOM 0 H LYS B 51 -7.090 -13.453 2.828 1.00 10.00 H new ATOM 0 HA LYS B 51 -9.543 -13.929 4.240 1.00 10.00 H new ATOM 0 HB2 LYS B 51 -6.921 -15.435 3.993 1.00 10.00 H new ATOM 0 HB3 LYS B 51 -8.277 -16.025 4.934 1.00 10.00 H new ATOM 0 HG2 LYS B 51 -9.687 -15.830 2.804 1.00 10.00 H new ATOM 0 HG3 LYS B 51 -8.192 -15.536 1.939 1.00 10.00 H new ATOM 0 HD2 LYS B 51 -8.663 -17.891 1.770 1.00 10.00 H new ATOM 0 HD3 LYS B 51 -7.293 -17.711 2.847 1.00 10.00 H new ATOM 0 HE2 LYS B 51 -9.621 -17.551 4.484 1.00 10.00 H new ATOM 0 HE3 LYS B 51 -9.892 -18.882 3.378 1.00 10.00 H new ATOM 0 HZ1 LYS B 51 -8.772 -19.618 5.376 1.00 10.00 H new ATOM 0 HZ2 LYS B 51 -7.755 -19.825 4.031 1.00 10.00 H new ATOM 0 HZ3 LYS B 51 -7.493 -18.535 5.104 1.00 10.00 H new ATOM 1575 N HIS B 52 -6.819 -13.102 5.882 1.00 10.00 N ATOM 1576 CA HIS B 52 -6.307 -12.642 7.162 1.00 10.00 C ATOM 1577 C HIS B 52 -5.091 -11.757 6.946 1.00 10.00 C ATOM 1578 O HIS B 52 -5.010 -10.685 7.584 1.00 10.00 O ATOM 1579 CB HIS B 52 -5.936 -13.821 8.065 1.00 10.00 C ATOM 1580 CG HIS B 52 -6.840 -13.974 9.250 1.00 10.00 C ATOM 1581 ND1 HIS B 52 -6.830 -13.112 10.326 1.00 10.00 N ATOM 1582 CD2 HIS B 52 -7.801 -14.890 9.519 1.00 10.00 C ATOM 1583 CE1 HIS B 52 -7.733 -13.498 11.206 1.00 10.00 C ATOM 1584 NE2 HIS B 52 -8.339 -14.568 10.738 1.00 10.00 N ATOM 1585 OXT HIS B 52 -4.222 -12.138 6.136 1.00 10.00 O ATOM 0 H HIS B 52 -6.141 -13.061 5.121 1.00 10.00 H new ATOM 0 HA HIS B 52 -7.092 -12.068 7.654 1.00 10.00 H new ATOM 0 HB2 HIS B 52 -5.960 -14.739 7.478 1.00 10.00 H new ATOM 0 HB3 HIS B 52 -4.911 -13.693 8.414 1.00 10.00 H new ATOM 0 HD2 HIS B 52 -8.090 -15.719 8.890 1.00 10.00 H new ATOM 0 HE1 HIS B 52 -7.940 -13.017 12.151 1.00 10.00 H new ATOM 0 HE2 HIS B 52 -9.089 -15.076 11.207 1.00 10.00 H new TER 1594 HIS B 52