USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 630 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: B 21 TYR OH : rot -114:sc= 0.288 USER MOD Set 1.2: B 25 ASN : amide:sc= 1.48 K(o=1.8,f=0.24) USER MOD Set 2.1: A 19 GLN : amide:sc= 0.96 K(o=3,f=1.2) USER MOD Set 2.2: A 20 ASN :FLIP amide:sc= -0.0351 F(o=2.3,f=3) USER MOD Set 2.3: B 20 ASN : amide:sc= 2.07 K(o=3,f=-0.35) USER MOD Single : A 0 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HE2:sc= 0.855 K(o=0.86,f=-2.6!) USER MOD Single : A 25 ASN : amide:sc= 1.22 K(o=1.2,f=-0.0086) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 159:sc= 1.99 (180deg=0.102) USER MOD Single : B 0 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0.0109 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 17 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : B 19 GLN : amide:sc= 0.213 X(o=0.21,f=-0.067) USER MOD Single : B 22 HIS : no HE2:sc= 0.972 K(o=0.97,f=-5.6!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ -169:sc=-0.00791 (180deg=-0.148) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 -26.179 4.936 -3.764 1.00 0.00 N ATOM 2 CA GLY A 0 -26.875 6.143 -3.257 1.00 0.00 C ATOM 3 C GLY A 0 -27.746 5.841 -2.054 1.00 0.00 C ATOM 4 O GLY A 0 -28.911 5.480 -2.196 1.00 0.00 O ATOM 0 H1 GLY A 0 -25.596 5.191 -4.586 1.00 0.00 H new ATOM 0 H2 GLY A 0 -25.571 4.546 -3.016 1.00 0.00 H new ATOM 0 H3 GLY A 0 -26.882 4.223 -4.046 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -26.137 6.899 -2.988 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -27.490 6.566 -4.051 1.00 0.00 H new ATOM 7 N ALA A 1 -27.178 5.977 -0.864 1.00 0.00 N ATOM 8 CA ALA A 1 -27.913 5.729 0.372 1.00 0.00 C ATOM 9 C ALA A 1 -27.613 6.811 1.401 1.00 0.00 C ATOM 10 O ALA A 1 -27.891 6.656 2.594 1.00 0.00 O ATOM 11 CB ALA A 1 -27.561 4.355 0.924 1.00 0.00 C ATOM 0 H ALA A 1 -26.207 6.259 -0.726 1.00 0.00 H new ATOM 0 HA ALA A 1 -28.980 5.755 0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -28.115 4.181 1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -27.824 3.591 0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -26.491 4.308 1.129 1.00 0.00 H new ATOM 17 N GLY A 2 -27.059 7.913 0.926 1.00 0.00 N ATOM 18 CA GLY A 2 -26.685 9.005 1.798 1.00 0.00 C ATOM 19 C GLY A 2 -25.454 9.732 1.298 1.00 0.00 C ATOM 20 O GLY A 2 -24.425 9.106 1.021 1.00 0.00 O ATOM 0 H GLY A 2 -26.859 8.072 -0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -27.515 9.708 1.876 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -26.497 8.621 2.801 1.00 0.00 H new ATOM 24 N SER A 3 -25.552 11.045 1.174 1.00 0.00 N ATOM 25 CA SER A 3 -24.449 11.848 0.673 1.00 0.00 C ATOM 26 C SER A 3 -23.324 11.925 1.697 1.00 0.00 C ATOM 27 O SER A 3 -22.146 11.975 1.338 1.00 0.00 O ATOM 28 CB SER A 3 -24.937 13.244 0.304 1.00 0.00 C ATOM 29 OG SER A 3 -26.006 13.172 -0.628 1.00 0.00 O ATOM 0 H SER A 3 -26.387 11.579 1.414 1.00 0.00 H new ATOM 0 HA SER A 3 -24.055 11.369 -0.223 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.265 13.769 1.201 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.116 13.821 -0.121 1.00 0.00 H new ATOM 0 HG SER A 3 -26.307 14.078 -0.851 1.00 0.00 H new ATOM 35 N SER A 4 -23.692 11.907 2.976 1.00 0.00 N ATOM 36 CA SER A 4 -22.712 11.907 4.053 1.00 0.00 C ATOM 37 C SER A 4 -21.870 10.637 3.992 1.00 0.00 C ATOM 38 O SER A 4 -20.648 10.674 4.154 1.00 0.00 O ATOM 39 CB SER A 4 -23.415 12.005 5.407 1.00 0.00 C ATOM 40 OG SER A 4 -24.261 13.142 5.454 1.00 0.00 O ATOM 0 H SER A 4 -24.663 11.892 3.289 1.00 0.00 H new ATOM 0 HA SER A 4 -22.059 12.771 3.934 1.00 0.00 H new ATOM 0 HB2 SER A 4 -24.001 11.103 5.584 1.00 0.00 H new ATOM 0 HB3 SER A 4 -22.673 12.065 6.203 1.00 0.00 H new ATOM 0 HG SER A 4 -24.703 13.185 6.328 1.00 0.00 H new ATOM 46 N SER A 5 -22.534 9.520 3.732 1.00 0.00 N ATOM 47 CA SER A 5 -21.862 8.243 3.597 1.00 0.00 C ATOM 48 C SER A 5 -20.966 8.246 2.361 1.00 0.00 C ATOM 49 O SER A 5 -19.884 7.662 2.362 1.00 0.00 O ATOM 50 CB SER A 5 -22.898 7.127 3.482 1.00 0.00 C ATOM 51 OG SER A 5 -23.910 7.272 4.467 1.00 0.00 O ATOM 0 H SER A 5 -23.546 9.476 3.610 1.00 0.00 H new ATOM 0 HA SER A 5 -21.244 8.073 4.479 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.347 7.143 2.489 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.410 6.159 3.596 1.00 0.00 H new ATOM 0 HG SER A 5 -24.564 6.548 4.374 1.00 0.00 H new ATOM 57 N LEU A 6 -21.420 8.933 1.318 1.00 0.00 N ATOM 58 CA LEU A 6 -20.700 8.984 0.055 1.00 0.00 C ATOM 59 C LEU A 6 -19.375 9.719 0.232 1.00 0.00 C ATOM 60 O LEU A 6 -18.318 9.194 -0.115 1.00 0.00 O ATOM 61 CB LEU A 6 -21.575 9.665 -1.013 1.00 0.00 C ATOM 62 CG LEU A 6 -21.147 9.462 -2.477 1.00 0.00 C ATOM 63 CD1 LEU A 6 -22.299 9.796 -3.411 1.00 0.00 C ATOM 64 CD2 LEU A 6 -19.941 10.324 -2.824 1.00 0.00 C ATOM 0 H LEU A 6 -22.290 9.465 1.325 1.00 0.00 H new ATOM 0 HA LEU A 6 -20.478 7.970 -0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -22.596 9.301 -0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -21.594 10.735 -0.808 1.00 0.00 H new ATOM 0 HG LEU A 6 -20.869 8.415 -2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -21.984 9.649 -4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -23.145 9.144 -3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -22.595 10.835 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -19.663 10.158 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -20.191 11.375 -2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -19.105 10.057 -2.178 1.00 0.00 H new ATOM 76 N GLU A 7 -19.431 10.924 0.793 1.00 0.00 N ATOM 77 CA GLU A 7 -18.230 11.733 0.976 1.00 0.00 C ATOM 78 C GLU A 7 -17.281 11.091 1.985 1.00 0.00 C ATOM 79 O GLU A 7 -16.062 11.205 1.859 1.00 0.00 O ATOM 80 CB GLU A 7 -18.589 13.162 1.409 1.00 0.00 C ATOM 81 CG GLU A 7 -19.446 13.235 2.661 1.00 0.00 C ATOM 82 CD GLU A 7 -19.802 14.656 3.041 1.00 0.00 C ATOM 83 OE1 GLU A 7 -20.448 15.346 2.230 1.00 0.00 O ATOM 84 OE2 GLU A 7 -19.447 15.089 4.158 1.00 0.00 O ATOM 0 H GLU A 7 -20.291 11.360 1.127 1.00 0.00 H new ATOM 0 HA GLU A 7 -17.719 11.785 0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.669 13.720 1.579 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -19.115 13.656 0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -20.362 12.665 2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -18.915 12.764 3.488 1.00 0.00 H new ATOM 91 N ALA A 8 -17.839 10.415 2.986 1.00 0.00 N ATOM 92 CA ALA A 8 -17.023 9.736 3.985 1.00 0.00 C ATOM 93 C ALA A 8 -16.210 8.609 3.352 1.00 0.00 C ATOM 94 O ALA A 8 -14.986 8.555 3.496 1.00 0.00 O ATOM 95 CB ALA A 8 -17.895 9.190 5.104 1.00 0.00 C ATOM 0 H ALA A 8 -18.845 10.324 3.125 1.00 0.00 H new ATOM 0 HA ALA A 8 -16.329 10.465 4.405 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -17.269 8.686 5.841 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -18.429 10.011 5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -18.613 8.481 4.693 1.00 0.00 H new ATOM 101 N VAL A 9 -16.895 7.722 2.639 1.00 0.00 N ATOM 102 CA VAL A 9 -16.242 6.582 2.004 1.00 0.00 C ATOM 103 C VAL A 9 -15.299 7.045 0.897 1.00 0.00 C ATOM 104 O VAL A 9 -14.188 6.528 0.768 1.00 0.00 O ATOM 105 CB VAL A 9 -17.271 5.584 1.424 1.00 0.00 C ATOM 106 CG1 VAL A 9 -16.574 4.436 0.707 1.00 0.00 C ATOM 107 CG2 VAL A 9 -18.178 5.055 2.527 1.00 0.00 C ATOM 0 H VAL A 9 -17.902 7.770 2.486 1.00 0.00 H new ATOM 0 HA VAL A 9 -15.667 6.072 2.777 1.00 0.00 H new ATOM 0 HB VAL A 9 -17.884 6.114 0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.321 3.749 0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -15.971 4.830 -0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -15.931 3.906 1.409 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -18.896 4.354 2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -17.576 4.546 3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -18.711 5.886 2.989 1.00 0.00 H new ATOM 117 N ARG A 10 -15.737 8.034 0.123 1.00 0.00 N ATOM 118 CA ARG A 10 -14.951 8.546 -0.995 1.00 0.00 C ATOM 119 C ARG A 10 -13.603 9.070 -0.505 1.00 0.00 C ATOM 120 O ARG A 10 -12.553 8.711 -1.046 1.00 0.00 O ATOM 121 CB ARG A 10 -15.730 9.646 -1.726 1.00 0.00 C ATOM 122 CG ARG A 10 -15.258 9.901 -3.152 1.00 0.00 C ATOM 123 CD ARG A 10 -13.951 10.675 -3.197 1.00 0.00 C ATOM 124 NE ARG A 10 -13.421 10.756 -4.553 1.00 0.00 N ATOM 125 CZ ARG A 10 -12.814 11.831 -5.053 1.00 0.00 C ATOM 126 NH1 ARG A 10 -12.696 12.930 -4.317 1.00 0.00 N ATOM 127 NH2 ARG A 10 -12.333 11.811 -6.290 1.00 0.00 N ATOM 0 H ARG A 10 -16.636 8.498 0.251 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.763 7.732 -1.695 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.786 9.376 -1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -15.650 10.572 -1.157 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.131 8.948 -3.666 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -16.025 10.456 -3.693 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.109 11.680 -2.807 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -13.220 10.193 -2.548 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.521 9.939 -5.156 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.070 12.951 -3.368 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.231 13.753 -4.700 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.428 10.971 -6.861 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.869 12.636 -6.670 1.00 0.00 H new ATOM 141 N ARG A 11 -13.631 9.911 0.524 1.00 0.00 N ATOM 142 CA ARG A 11 -12.405 10.445 1.104 1.00 0.00 C ATOM 143 C ARG A 11 -11.532 9.309 1.624 1.00 0.00 C ATOM 144 O ARG A 11 -10.327 9.264 1.367 1.00 0.00 O ATOM 145 CB ARG A 11 -12.716 11.411 2.253 1.00 0.00 C ATOM 146 CG ARG A 11 -11.467 12.001 2.895 1.00 0.00 C ATOM 147 CD ARG A 11 -11.786 12.776 4.166 1.00 0.00 C ATOM 148 NE ARG A 11 -12.593 13.971 3.911 1.00 0.00 N ATOM 149 CZ ARG A 11 -12.429 15.125 4.560 1.00 0.00 C ATOM 150 NH1 ARG A 11 -11.474 15.247 5.473 1.00 0.00 N ATOM 151 NH2 ARG A 11 -13.207 16.166 4.288 1.00 0.00 N ATOM 0 H ARG A 11 -14.488 10.237 0.972 1.00 0.00 H new ATOM 0 HA ARG A 11 -11.874 10.988 0.323 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.342 12.221 1.879 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.295 10.887 3.014 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.766 11.199 3.127 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.972 12.661 2.183 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.317 12.125 4.860 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.855 13.068 4.652 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.320 13.918 3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.863 14.457 5.680 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.351 16.131 5.968 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.936 16.086 3.579 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.076 17.045 4.788 1.00 0.00 H new ATOM 165 N LYS A 12 -12.165 8.382 2.334 1.00 0.00 N ATOM 166 CA LYS A 12 -11.472 7.260 2.946 1.00 0.00 C ATOM 167 C LYS A 12 -10.722 6.434 1.901 1.00 0.00 C ATOM 168 O LYS A 12 -9.515 6.226 2.016 1.00 0.00 O ATOM 169 CB LYS A 12 -12.479 6.381 3.698 1.00 0.00 C ATOM 170 CG LYS A 12 -11.858 5.188 4.413 1.00 0.00 C ATOM 171 CD LYS A 12 -12.906 4.389 5.178 1.00 0.00 C ATOM 172 CE LYS A 12 -13.530 5.210 6.296 1.00 0.00 C ATOM 173 NZ LYS A 12 -14.585 4.456 7.019 1.00 0.00 N ATOM 0 H LYS A 12 -13.171 8.389 2.500 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.737 7.651 3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.004 6.995 4.430 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.226 6.018 2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.366 4.542 3.686 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.089 5.536 5.103 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.685 4.058 4.491 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.447 3.493 5.596 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.754 5.513 6.999 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.957 6.123 5.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.984 5.052 7.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.338 4.189 6.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.173 3.598 7.438 1.00 0.00 H new ATOM 187 N ILE A 13 -11.432 5.984 0.871 1.00 0.00 N ATOM 188 CA ILE A 13 -10.829 5.123 -0.142 1.00 0.00 C ATOM 189 C ILE A 13 -9.739 5.853 -0.922 1.00 0.00 C ATOM 190 O ILE A 13 -8.730 5.251 -1.294 1.00 0.00 O ATOM 191 CB ILE A 13 -11.872 4.547 -1.127 1.00 0.00 C ATOM 192 CG1 ILE A 13 -12.624 5.669 -1.852 1.00 0.00 C ATOM 193 CG2 ILE A 13 -12.845 3.637 -0.385 1.00 0.00 C ATOM 194 CD1 ILE A 13 -13.609 5.176 -2.890 1.00 0.00 C ATOM 0 H ILE A 13 -12.417 6.199 0.716 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.382 4.291 0.402 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.347 3.959 -1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.157 6.270 -1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -11.900 6.325 -2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -13.576 3.236 -1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -12.296 2.816 0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -13.360 4.208 0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -14.101 6.028 -3.359 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -13.080 4.600 -3.649 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -14.357 4.544 -2.411 1.00 0.00 H new ATOM 206 N ARG A 14 -9.927 7.146 -1.161 1.00 0.00 N ATOM 207 CA ARG A 14 -8.930 7.918 -1.890 1.00 0.00 C ATOM 208 C ARG A 14 -7.671 8.090 -1.046 1.00 0.00 C ATOM 209 O ARG A 14 -6.555 8.045 -1.564 1.00 0.00 O ATOM 210 CB ARG A 14 -9.470 9.290 -2.294 1.00 0.00 C ATOM 211 CG ARG A 14 -8.566 10.001 -3.287 1.00 0.00 C ATOM 212 CD ARG A 14 -9.012 11.429 -3.547 1.00 0.00 C ATOM 213 NE ARG A 14 -8.264 12.033 -4.650 1.00 0.00 N ATOM 214 CZ ARG A 14 -7.389 13.030 -4.506 1.00 0.00 C ATOM 215 NH1 ARG A 14 -7.080 13.490 -3.298 1.00 0.00 N ATOM 216 NH2 ARG A 14 -6.794 13.548 -5.575 1.00 0.00 N ATOM 0 H ARG A 14 -10.748 7.675 -0.865 1.00 0.00 H new ATOM 0 HA ARG A 14 -8.686 7.366 -2.798 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -10.462 9.173 -2.730 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -9.584 9.909 -1.404 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.544 10.005 -2.908 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.555 9.449 -4.227 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -10.077 11.442 -3.778 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.875 12.024 -2.644 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.422 11.668 -5.589 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.513 13.080 -2.470 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.410 14.253 -3.199 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.006 13.184 -6.504 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.125 14.310 -5.467 1.00 0.00 H new ATOM 230 N SER A 15 -7.858 8.279 0.252 1.00 0.00 N ATOM 231 CA SER A 15 -6.736 8.403 1.166 1.00 0.00 C ATOM 232 C SER A 15 -5.936 7.103 1.189 1.00 0.00 C ATOM 233 O SER A 15 -4.710 7.123 1.275 1.00 0.00 O ATOM 234 CB SER A 15 -7.229 8.763 2.571 1.00 0.00 C ATOM 235 OG SER A 15 -6.148 9.103 3.427 1.00 0.00 O ATOM 0 H SER A 15 -8.775 8.350 0.694 1.00 0.00 H new ATOM 0 HA SER A 15 -6.084 9.205 0.820 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.925 9.600 2.511 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.778 7.921 2.993 1.00 0.00 H new ATOM 0 HG SER A 15 -6.493 9.329 4.316 1.00 0.00 H new ATOM 241 N LEU A 16 -6.635 5.975 1.087 1.00 0.00 N ATOM 242 CA LEU A 16 -5.982 4.672 0.991 1.00 0.00 C ATOM 243 C LEU A 16 -5.140 4.584 -0.278 1.00 0.00 C ATOM 244 O LEU A 16 -4.018 4.072 -0.256 1.00 0.00 O ATOM 245 CB LEU A 16 -7.012 3.537 1.021 1.00 0.00 C ATOM 246 CG LEU A 16 -7.282 2.929 2.402 1.00 0.00 C ATOM 247 CD1 LEU A 16 -7.780 3.981 3.380 1.00 0.00 C ATOM 248 CD2 LEU A 16 -8.281 1.786 2.292 1.00 0.00 C ATOM 0 H LEU A 16 -7.654 5.937 1.069 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.326 4.563 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.953 3.912 0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.673 2.744 0.354 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.341 2.536 2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.962 3.519 4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.029 4.763 3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.707 4.416 3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.462 1.365 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.218 2.160 1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.879 1.013 1.637 1.00 0.00 H new ATOM 260 N GLN A 17 -5.683 5.093 -1.383 1.00 0.00 N ATOM 261 CA GLN A 17 -4.952 5.136 -2.649 1.00 0.00 C ATOM 262 C GLN A 17 -3.674 5.950 -2.495 1.00 0.00 C ATOM 263 O GLN A 17 -2.592 5.518 -2.892 1.00 0.00 O ATOM 264 CB GLN A 17 -5.804 5.769 -3.752 1.00 0.00 C ATOM 265 CG GLN A 17 -7.130 5.077 -4.005 1.00 0.00 C ATOM 266 CD GLN A 17 -7.934 5.776 -5.084 1.00 0.00 C ATOM 267 OE1 GLN A 17 -7.371 6.362 -6.009 1.00 0.00 O ATOM 268 NE2 GLN A 17 -9.252 5.725 -4.975 1.00 0.00 N ATOM 0 H GLN A 17 -6.625 5.481 -1.427 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.709 4.110 -2.924 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.997 6.810 -3.491 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.230 5.774 -4.678 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.950 4.043 -4.299 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.708 5.050 -3.081 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.680 5.229 -4.193 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.839 6.182 -5.673 1.00 0.00 H new ATOM 277 N GLU A 18 -3.818 7.133 -1.912 1.00 0.00 N ATOM 278 CA GLU A 18 -2.697 8.037 -1.710 1.00 0.00 C ATOM 279 C GLU A 18 -1.694 7.421 -0.741 1.00 0.00 C ATOM 280 O GLU A 18 -0.492 7.456 -0.988 1.00 0.00 O ATOM 281 CB GLU A 18 -3.208 9.388 -1.195 1.00 0.00 C ATOM 282 CG GLU A 18 -2.181 10.514 -1.238 1.00 0.00 C ATOM 283 CD GLU A 18 -1.216 10.501 -0.069 1.00 0.00 C ATOM 284 OE1 GLU A 18 -1.685 10.515 1.086 1.00 0.00 O ATOM 285 OE2 GLU A 18 0.013 10.504 -0.300 1.00 0.00 O ATOM 0 H GLU A 18 -4.710 7.490 -1.568 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.188 8.202 -2.660 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.075 9.683 -1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.549 9.265 -0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.615 10.442 -2.167 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.704 11.470 -1.256 1.00 0.00 H new ATOM 292 N GLN A 19 -2.200 6.838 0.343 1.00 0.00 N ATOM 293 CA GLN A 19 -1.353 6.195 1.341 1.00 0.00 C ATOM 294 C GLN A 19 -0.541 5.066 0.711 1.00 0.00 C ATOM 295 O GLN A 19 0.638 4.898 1.019 1.00 0.00 O ATOM 296 CB GLN A 19 -2.203 5.662 2.501 1.00 0.00 C ATOM 297 CG GLN A 19 -1.390 5.033 3.620 1.00 0.00 C ATOM 298 CD GLN A 19 -2.244 4.633 4.809 1.00 0.00 C ATOM 299 OE1 GLN A 19 -2.451 5.420 5.731 1.00 0.00 O ATOM 300 NE2 GLN A 19 -2.741 3.405 4.798 1.00 0.00 N ATOM 0 H GLN A 19 -3.198 6.798 0.552 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.659 6.938 1.733 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.795 6.480 2.911 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.905 4.923 2.115 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.872 4.154 3.237 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.625 5.737 3.948 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.546 2.783 4.014 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.319 3.082 5.574 1.00 0.00 H new ATOM 309 N ASN A 20 -1.173 4.301 -0.177 1.00 0.00 N ATOM 310 CA ASN A 20 -0.474 3.247 -0.910 1.00 0.00 C ATOM 311 C ASN A 20 0.692 3.825 -1.690 1.00 0.00 C ATOM 312 O ASN A 20 1.839 3.441 -1.477 1.00 0.00 O ATOM 313 CB ASN A 20 -1.419 2.521 -1.873 1.00 0.00 C ATOM 314 CG ASN A 20 -1.909 1.191 -1.332 1.00 0.00 C ATOM 315 OD1 ASN A 20 -2.084 1.104 -0.024 1.00 0.00 O flip ATOM 316 ND2 ASN A 20 -2.141 0.251 -2.091 1.00 0.00 N flip ATOM 0 H ASN A 20 -2.163 4.390 -0.406 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.101 2.530 -0.178 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.277 3.160 -2.082 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.906 2.355 -2.820 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.993 0.357 -3.095 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.481 -0.635 -1.717 1.00 0.00 H new ATOM 323 N TYR A 21 0.389 4.767 -2.576 1.00 0.00 N ATOM 324 CA TYR A 21 1.408 5.404 -3.406 1.00 0.00 C ATOM 325 C TYR A 21 2.479 6.064 -2.542 1.00 0.00 C ATOM 326 O TYR A 21 3.665 6.037 -2.874 1.00 0.00 O ATOM 327 CB TYR A 21 0.769 6.449 -4.323 1.00 0.00 C ATOM 328 CG TYR A 21 -0.038 5.871 -5.468 1.00 0.00 C ATOM 329 CD1 TYR A 21 -0.712 4.663 -5.339 1.00 0.00 C ATOM 330 CD2 TYR A 21 -0.117 6.537 -6.685 1.00 0.00 C ATOM 331 CE1 TYR A 21 -1.447 4.138 -6.382 1.00 0.00 C ATOM 332 CE2 TYR A 21 -0.850 6.019 -7.735 1.00 0.00 C ATOM 333 CZ TYR A 21 -1.511 4.818 -7.580 1.00 0.00 C ATOM 334 OH TYR A 21 -2.234 4.294 -8.629 1.00 0.00 O ATOM 0 H TYR A 21 -0.558 5.109 -2.739 1.00 0.00 H new ATOM 0 HA TYR A 21 1.878 4.632 -4.015 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.121 7.090 -3.726 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.555 7.083 -4.733 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.660 4.125 -4.404 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.403 7.475 -6.812 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.969 3.200 -6.261 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.905 6.552 -8.673 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.177 4.897 -9.399 1.00 0.00 H new ATOM 344 N HIS A 22 2.042 6.644 -1.434 1.00 0.00 N ATOM 345 CA HIS A 22 2.930 7.312 -0.498 1.00 0.00 C ATOM 346 C HIS A 22 3.947 6.319 0.049 1.00 0.00 C ATOM 347 O HIS A 22 5.151 6.569 0.024 1.00 0.00 O ATOM 348 CB HIS A 22 2.107 7.909 0.646 1.00 0.00 C ATOM 349 CG HIS A 22 2.782 9.025 1.381 1.00 0.00 C ATOM 350 ND1 HIS A 22 2.298 10.314 1.391 1.00 0.00 N ATOM 351 CD2 HIS A 22 3.894 9.037 2.151 1.00 0.00 C ATOM 352 CE1 HIS A 22 3.084 11.071 2.134 1.00 0.00 C ATOM 353 NE2 HIS A 22 4.061 10.321 2.610 1.00 0.00 N ATOM 0 H HIS A 22 1.060 6.664 -1.159 1.00 0.00 H new ATOM 0 HA HIS A 22 3.464 8.112 -1.011 1.00 0.00 H new ATOM 0 HB2 HIS A 22 1.162 8.275 0.244 1.00 0.00 H new ATOM 0 HB3 HIS A 22 1.867 7.117 1.355 1.00 0.00 H new ATOM 0 HD1 HIS A 22 1.463 10.634 0.901 1.00 0.00 H new ATOM 0 HD2 HIS A 22 4.533 8.193 2.365 1.00 0.00 H new ATOM 0 HE1 HIS A 22 2.950 12.126 2.321 1.00 0.00 H new ATOM 362 N LEU A 23 3.447 5.185 0.521 1.00 0.00 N ATOM 363 CA LEU A 23 4.299 4.145 1.080 1.00 0.00 C ATOM 364 C LEU A 23 5.178 3.518 0.005 1.00 0.00 C ATOM 365 O LEU A 23 6.372 3.333 0.220 1.00 0.00 O ATOM 366 CB LEU A 23 3.450 3.069 1.759 1.00 0.00 C ATOM 367 CG LEU A 23 2.722 3.517 3.027 1.00 0.00 C ATOM 368 CD1 LEU A 23 1.830 2.404 3.552 1.00 0.00 C ATOM 369 CD2 LEU A 23 3.728 3.943 4.088 1.00 0.00 C ATOM 0 H LEU A 23 2.452 4.962 0.528 1.00 0.00 H new ATOM 0 HA LEU A 23 4.948 4.607 1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.711 2.707 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.093 2.225 2.008 1.00 0.00 H new ATOM 0 HG LEU A 23 2.092 4.372 2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.320 2.741 4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.091 2.142 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.438 1.529 3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.198 4.260 4.986 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.380 3.104 4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.327 4.771 3.710 1.00 0.00 H new ATOM 381 N GLU A 24 4.586 3.206 -1.150 1.00 0.00 N ATOM 382 CA GLU A 24 5.319 2.576 -2.251 1.00 0.00 C ATOM 383 C GLU A 24 6.564 3.378 -2.613 1.00 0.00 C ATOM 384 O GLU A 24 7.680 2.858 -2.586 1.00 0.00 O ATOM 385 CB GLU A 24 4.426 2.428 -3.493 1.00 0.00 C ATOM 386 CG GLU A 24 3.275 1.447 -3.324 1.00 0.00 C ATOM 387 CD GLU A 24 2.487 1.244 -4.608 1.00 0.00 C ATOM 388 OE1 GLU A 24 1.546 2.022 -4.870 1.00 0.00 O ATOM 389 OE2 GLU A 24 2.802 0.294 -5.363 1.00 0.00 O ATOM 0 H GLU A 24 3.600 3.379 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 24 5.624 1.586 -1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.020 3.406 -3.752 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.042 2.106 -4.333 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.667 0.487 -2.987 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.605 1.809 -2.544 1.00 0.00 H new ATOM 396 N ASN A 25 6.371 4.653 -2.925 1.00 0.00 N ATOM 397 CA ASN A 25 7.478 5.512 -3.335 1.00 0.00 C ATOM 398 C ASN A 25 8.460 5.732 -2.188 1.00 0.00 C ATOM 399 O ASN A 25 9.673 5.709 -2.389 1.00 0.00 O ATOM 400 CB ASN A 25 6.967 6.860 -3.856 1.00 0.00 C ATOM 401 CG ASN A 25 6.311 6.751 -5.222 1.00 0.00 C ATOM 402 OD1 ASN A 25 6.978 6.848 -6.253 1.00 0.00 O ATOM 403 ND2 ASN A 25 5.001 6.562 -5.244 1.00 0.00 N ATOM 0 H ASN A 25 5.462 5.115 -2.903 1.00 0.00 H new ATOM 0 HA ASN A 25 8.002 5.003 -4.144 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.250 7.271 -3.145 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.799 7.562 -3.912 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.511 6.492 -6.136 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.482 6.486 -4.369 1.00 0.00 H new ATOM 410 N GLU A 26 7.938 5.923 -0.985 1.00 0.00 N ATOM 411 CA GLU A 26 8.780 6.208 0.169 1.00 0.00 C ATOM 412 C GLU A 26 9.641 5.006 0.541 1.00 0.00 C ATOM 413 O GLU A 26 10.855 5.139 0.725 1.00 0.00 O ATOM 414 CB GLU A 26 7.925 6.642 1.360 1.00 0.00 C ATOM 415 CG GLU A 26 8.736 7.093 2.561 1.00 0.00 C ATOM 416 CD GLU A 26 7.895 7.815 3.590 1.00 0.00 C ATOM 417 OE1 GLU A 26 7.553 8.997 3.356 1.00 0.00 O ATOM 418 OE2 GLU A 26 7.588 7.220 4.639 1.00 0.00 O ATOM 0 H GLU A 26 6.939 5.886 -0.782 1.00 0.00 H new ATOM 0 HA GLU A 26 9.449 7.026 -0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.270 7.456 1.049 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.283 5.812 1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.206 6.226 3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.539 7.750 2.227 1.00 0.00 H new ATOM 425 N VAL A 27 9.028 3.829 0.632 1.00 0.00 N ATOM 426 CA VAL A 27 9.764 2.625 0.992 1.00 0.00 C ATOM 427 C VAL A 27 10.759 2.268 -0.110 1.00 0.00 C ATOM 428 O VAL A 27 11.829 1.726 0.165 1.00 0.00 O ATOM 429 CB VAL A 27 8.829 1.419 1.285 1.00 0.00 C ATOM 430 CG1 VAL A 27 8.190 0.873 0.017 1.00 0.00 C ATOM 431 CG2 VAL A 27 9.588 0.319 2.013 1.00 0.00 C ATOM 0 H VAL A 27 8.032 3.685 0.463 1.00 0.00 H new ATOM 0 HA VAL A 27 10.303 2.842 1.915 1.00 0.00 H new ATOM 0 HB VAL A 27 8.025 1.780 1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.545 0.031 0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.598 1.655 -0.458 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.969 0.541 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.917 -0.517 2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.419 -0.020 1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.972 0.706 2.957 1.00 0.00 H new ATOM 441 N ALA A 28 10.411 2.600 -1.355 1.00 0.00 N ATOM 442 CA ALA A 28 11.303 2.377 -2.487 1.00 0.00 C ATOM 443 C ALA A 28 12.561 3.221 -2.354 1.00 0.00 C ATOM 444 O ALA A 28 13.671 2.747 -2.592 1.00 0.00 O ATOM 445 CB ALA A 28 10.597 2.690 -3.798 1.00 0.00 C ATOM 0 H ALA A 28 9.517 3.024 -1.601 1.00 0.00 H new ATOM 0 HA ALA A 28 11.589 1.325 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.280 2.517 -4.630 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.725 2.045 -3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.279 3.733 -3.800 1.00 0.00 H new ATOM 451 N ARG A 29 12.382 4.473 -1.960 1.00 0.00 N ATOM 452 CA ARG A 29 13.503 5.379 -1.757 1.00 0.00 C ATOM 453 C ARG A 29 14.349 4.918 -0.573 1.00 0.00 C ATOM 454 O ARG A 29 15.580 4.961 -0.618 1.00 0.00 O ATOM 455 CB ARG A 29 12.997 6.807 -1.537 1.00 0.00 C ATOM 456 CG ARG A 29 12.293 7.382 -2.755 1.00 0.00 C ATOM 457 CD ARG A 29 11.622 8.711 -2.450 1.00 0.00 C ATOM 458 NE ARG A 29 10.947 9.257 -3.628 1.00 0.00 N ATOM 459 CZ ARG A 29 9.887 10.063 -3.587 1.00 0.00 C ATOM 460 NH1 ARG A 29 9.359 10.433 -2.426 1.00 0.00 N ATOM 461 NH2 ARG A 29 9.351 10.496 -4.719 1.00 0.00 N ATOM 0 H ARG A 29 11.468 4.886 -1.774 1.00 0.00 H new ATOM 0 HA ARG A 29 14.128 5.369 -2.650 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.312 6.817 -0.690 1.00 0.00 H new ATOM 0 HB3 ARG A 29 13.838 7.448 -1.274 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.015 7.517 -3.561 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.546 6.672 -3.111 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.899 8.578 -1.645 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.367 9.422 -2.095 1.00 0.00 H new ATOM 0 HE ARG A 29 11.314 9.003 -4.545 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.765 10.100 -1.552 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.547 11.051 -2.409 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.750 10.212 -5.614 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.539 11.113 -4.696 1.00 0.00 H new ATOM 475 N LEU A 30 13.679 4.449 0.476 1.00 0.00 N ATOM 476 CA LEU A 30 14.362 3.981 1.676 1.00 0.00 C ATOM 477 C LEU A 30 15.183 2.729 1.369 1.00 0.00 C ATOM 478 O LEU A 30 16.376 2.676 1.666 1.00 0.00 O ATOM 479 CB LEU A 30 13.342 3.706 2.790 1.00 0.00 C ATOM 480 CG LEU A 30 13.886 3.727 4.228 1.00 0.00 C ATOM 481 CD1 LEU A 30 12.743 3.780 5.228 1.00 0.00 C ATOM 482 CD2 LEU A 30 14.757 2.510 4.505 1.00 0.00 C ATOM 0 H LEU A 30 12.662 4.383 0.518 1.00 0.00 H new ATOM 0 HA LEU A 30 15.045 4.758 2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.544 4.445 2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.891 2.731 2.608 1.00 0.00 H new ATOM 0 HG LEU A 30 14.499 4.621 4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.146 3.794 6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.153 4.681 5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.109 2.903 5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 30 15.127 2.553 5.529 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.168 1.603 4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 30 15.600 2.502 3.815 1.00 0.00 H new ATOM 494 N LYS A 31 14.551 1.730 0.756 1.00 0.00 N ATOM 495 CA LYS A 31 15.236 0.474 0.458 1.00 0.00 C ATOM 496 C LYS A 31 16.379 0.695 -0.527 1.00 0.00 C ATOM 497 O LYS A 31 17.418 0.040 -0.442 1.00 0.00 O ATOM 498 CB LYS A 31 14.263 -0.581 -0.082 1.00 0.00 C ATOM 499 CG LYS A 31 13.621 -0.225 -1.413 1.00 0.00 C ATOM 500 CD LYS A 31 12.686 -1.321 -1.895 1.00 0.00 C ATOM 501 CE LYS A 31 11.931 -0.898 -3.145 1.00 0.00 C ATOM 502 NZ LYS A 31 10.964 -1.934 -3.595 1.00 0.00 N ATOM 0 H LYS A 31 13.576 1.764 0.459 1.00 0.00 H new ATOM 0 HA LYS A 31 15.653 0.101 1.394 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.796 -1.526 -0.191 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.476 -0.742 0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.067 0.708 -1.312 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.398 -0.055 -2.158 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.259 -2.225 -2.103 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.976 -1.568 -1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.398 0.032 -2.948 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.642 -0.695 -3.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.473 -1.602 -4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.474 -2.815 -3.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.268 -2.110 -2.842 1.00 0.00 H new ATOM 516 N LYS A 32 16.194 1.630 -1.451 1.00 0.00 N ATOM 517 CA LYS A 32 17.232 1.940 -2.419 1.00 0.00 C ATOM 518 C LYS A 32 18.409 2.618 -1.725 1.00 0.00 C ATOM 519 O LYS A 32 19.555 2.438 -2.127 1.00 0.00 O ATOM 520 CB LYS A 32 16.699 2.852 -3.527 1.00 0.00 C ATOM 521 CG LYS A 32 17.575 2.869 -4.771 1.00 0.00 C ATOM 522 CD LYS A 32 17.800 4.282 -5.291 1.00 0.00 C ATOM 523 CE LYS A 32 18.713 5.085 -4.372 1.00 0.00 C ATOM 524 NZ LYS A 32 20.013 4.396 -4.152 1.00 0.00 N ATOM 0 H LYS A 32 15.341 2.181 -1.548 1.00 0.00 H new ATOM 0 HA LYS A 32 17.562 1.004 -2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 32 15.696 2.527 -3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 32 16.611 3.867 -3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 32 18.537 2.409 -4.543 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.110 2.266 -5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 32 18.237 4.237 -6.288 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.841 4.791 -5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.891 6.069 -4.805 1.00 0.00 H new ATOM 0 HE3 LYS A 32 18.218 5.243 -3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 20.724 5.088 -3.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 19.899 3.664 -3.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 20.326 3.954 -5.040 1.00 0.00 H new ATOM 538 N LEU A 33 18.114 3.405 -0.692 1.00 0.00 N ATOM 539 CA LEU A 33 19.142 4.143 0.038 1.00 0.00 C ATOM 540 C LEU A 33 19.900 3.236 1.011 1.00 0.00 C ATOM 541 O LEU A 33 21.118 3.354 1.162 1.00 0.00 O ATOM 542 CB LEU A 33 18.505 5.310 0.799 1.00 0.00 C ATOM 543 CG LEU A 33 19.485 6.221 1.541 1.00 0.00 C ATOM 544 CD1 LEU A 33 20.435 6.895 0.565 1.00 0.00 C ATOM 545 CD2 LEU A 33 18.734 7.260 2.360 1.00 0.00 C ATOM 0 H LEU A 33 17.167 3.548 -0.341 1.00 0.00 H new ATOM 0 HA LEU A 33 19.858 4.528 -0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.936 5.915 0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.793 4.907 1.519 1.00 0.00 H new ATOM 0 HG LEU A 33 20.074 5.607 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 33 21.123 7.538 1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 33 21.000 6.136 0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.864 7.495 -0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 33 19.448 7.898 2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 33 18.118 7.869 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.098 6.758 3.089 1.00 0.00 H new ATOM 557 N VAL A 34 19.180 2.340 1.683 1.00 0.00 N ATOM 558 CA VAL A 34 19.817 1.417 2.615 1.00 0.00 C ATOM 559 C VAL A 34 20.641 0.383 1.853 1.00 0.00 C ATOM 560 O VAL A 34 21.665 -0.099 2.343 1.00 0.00 O ATOM 561 CB VAL A 34 18.792 0.718 3.545 1.00 0.00 C ATOM 562 CG1 VAL A 34 17.833 -0.161 2.758 1.00 0.00 C ATOM 563 CG2 VAL A 34 19.502 -0.092 4.622 1.00 0.00 C ATOM 0 H VAL A 34 18.169 2.235 1.601 1.00 0.00 H new ATOM 0 HA VAL A 34 20.478 2.004 3.253 1.00 0.00 H new ATOM 0 HB VAL A 34 18.205 1.498 4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.129 -0.635 3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.286 0.450 2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.396 -0.929 2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 34 18.763 -0.573 5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 34 20.126 -0.853 4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 34 20.126 0.570 5.223 1.00 0.00 H new ATOM 573 N GLY A 35 20.206 0.067 0.638 1.00 0.00 N ATOM 574 CA GLY A 35 20.965 -0.823 -0.211 1.00 0.00 C ATOM 575 C GLY A 35 22.266 -0.189 -0.668 1.00 0.00 C ATOM 576 O GLY A 35 23.351 -0.671 -0.337 1.00 0.00 O ATOM 0 H GLY A 35 19.339 0.414 0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.180 -1.746 0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.367 -1.094 -1.081 1.00 0.00 H new ATOM 580 N GLU A 36 22.156 0.900 -1.418 1.00 0.00 N ATOM 581 CA GLU A 36 23.323 1.622 -1.907 1.00 0.00 C ATOM 582 C GLU A 36 23.026 3.113 -2.004 1.00 0.00 C ATOM 583 O GLU A 36 21.930 3.563 -1.682 1.00 0.00 O ATOM 584 CB GLU A 36 23.758 1.113 -3.284 1.00 0.00 C ATOM 585 CG GLU A 36 24.265 -0.316 -3.296 1.00 0.00 C ATOM 586 CD GLU A 36 24.905 -0.680 -4.616 1.00 0.00 C ATOM 587 OE1 GLU A 36 24.179 -0.800 -5.624 1.00 0.00 O ATOM 588 OE2 GLU A 36 26.146 -0.820 -4.662 1.00 0.00 O ATOM 0 H GLU A 36 21.264 1.305 -1.702 1.00 0.00 H new ATOM 0 HA GLU A 36 24.131 1.451 -1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 36 22.914 1.191 -3.969 1.00 0.00 H new ATOM 0 HB3 GLU A 36 24.542 1.766 -3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 36 24.990 -0.450 -2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 36 23.437 -0.996 -3.095 1.00 0.00 H new ATOM 595 N ARG A 37 24.005 3.867 -2.461 1.00 0.00 N ATOM 596 CA ARG A 37 23.830 5.290 -2.672 1.00 0.00 C ATOM 597 C ARG A 37 23.300 5.541 -4.074 1.00 0.00 C ATOM 598 O ARG A 37 24.054 5.321 -5.044 1.00 0.00 O ATOM 599 CB ARG A 37 25.146 6.033 -2.460 1.00 0.00 C ATOM 600 CG ARG A 37 25.019 7.542 -2.569 1.00 0.00 C ATOM 601 CD ARG A 37 26.352 8.228 -2.337 1.00 0.00 C ATOM 602 NE ARG A 37 26.243 9.678 -2.468 1.00 0.00 N ATOM 603 CZ ARG A 37 27.180 10.451 -3.016 1.00 0.00 C ATOM 604 NH1 ARG A 37 28.301 9.911 -3.487 1.00 0.00 N ATOM 605 NH2 ARG A 37 26.991 11.762 -3.088 1.00 0.00 N ATOM 606 OXT ARG A 37 22.127 5.937 -4.205 1.00 0.00 O ATOM 0 H ARG A 37 24.934 3.516 -2.694 1.00 0.00 H new ATOM 0 HA ARG A 37 23.108 5.665 -1.946 1.00 0.00 H new ATOM 0 HB2 ARG A 37 25.541 5.781 -1.476 1.00 0.00 H new ATOM 0 HB3 ARG A 37 25.872 5.684 -3.194 1.00 0.00 H new ATOM 0 HG2 ARG A 37 24.639 7.806 -3.556 1.00 0.00 H new ATOM 0 HG3 ARG A 37 24.292 7.901 -1.841 1.00 0.00 H new ATOM 0 HD2 ARG A 37 26.721 7.979 -1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 37 27.084 7.852 -3.052 1.00 0.00 H new ATOM 0 HE ARG A 37 25.397 10.127 -2.118 1.00 0.00 H new ATOM 0 HH11 ARG A 37 28.445 8.903 -3.429 1.00 0.00 H new ATOM 0 HH12 ARG A 37 29.016 10.505 -3.906 1.00 0.00 H new ATOM 0 HH21 ARG A 37 26.132 12.174 -2.725 1.00 0.00 H new ATOM 0 HH22 ARG A 37 27.705 12.358 -3.507 1.00 0.00 H new TER 620 ARG A 37 ATOM 621 N GLY B 0 -26.869 -8.018 1.066 1.00 0.00 N ATOM 622 CA GLY B 0 -26.388 -8.867 -0.047 1.00 0.00 C ATOM 623 C GLY B 0 -27.176 -8.634 -1.316 1.00 0.00 C ATOM 624 O GLY B 0 -26.895 -7.687 -2.056 1.00 0.00 O ATOM 0 H1 GLY B 0 -26.303 -8.208 1.917 1.00 0.00 H new ATOM 0 H2 GLY B 0 -26.775 -7.016 0.804 1.00 0.00 H new ATOM 0 H3 GLY B 0 -27.868 -8.233 1.260 1.00 0.00 H new ATOM 0 HA2 GLY B 0 -25.334 -8.661 -0.231 1.00 0.00 H new ATOM 0 HA3 GLY B 0 -26.462 -9.916 0.239 1.00 0.00 H new ATOM 627 N ALA B 1 -28.172 -9.487 -1.552 1.00 0.00 N ATOM 628 CA ALA B 1 -29.002 -9.412 -2.752 1.00 0.00 C ATOM 629 C ALA B 1 -28.140 -9.553 -4.000 1.00 0.00 C ATOM 630 O ALA B 1 -28.099 -8.664 -4.856 1.00 0.00 O ATOM 631 CB ALA B 1 -29.810 -8.118 -2.782 1.00 0.00 C ATOM 0 H ALA B 1 -28.425 -10.246 -0.919 1.00 0.00 H new ATOM 0 HA ALA B 1 -29.712 -10.239 -2.731 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -30.418 -8.090 -3.686 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -30.458 -8.074 -1.907 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -29.131 -7.265 -2.774 1.00 0.00 H new ATOM 637 N GLY B 2 -27.448 -10.678 -4.091 1.00 0.00 N ATOM 638 CA GLY B 2 -26.531 -10.903 -5.184 1.00 0.00 C ATOM 639 C GLY B 2 -25.088 -10.809 -4.734 1.00 0.00 C ATOM 640 O GLY B 2 -24.695 -9.844 -4.079 1.00 0.00 O ATOM 0 H GLY B 2 -27.507 -11.444 -3.420 1.00 0.00 H new ATOM 0 HA2 GLY B 2 -26.714 -11.887 -5.616 1.00 0.00 H new ATOM 0 HA3 GLY B 2 -26.715 -10.171 -5.970 1.00 0.00 H new ATOM 644 N SER B 3 -24.295 -11.806 -5.087 1.00 0.00 N ATOM 645 CA SER B 3 -22.897 -11.838 -4.688 1.00 0.00 C ATOM 646 C SER B 3 -22.029 -11.040 -5.655 1.00 0.00 C ATOM 647 O SER B 3 -20.813 -10.992 -5.507 1.00 0.00 O ATOM 648 CB SER B 3 -22.402 -13.283 -4.604 1.00 0.00 C ATOM 649 OG SER B 3 -23.126 -14.016 -3.628 1.00 0.00 O ATOM 0 H SER B 3 -24.594 -12.603 -5.648 1.00 0.00 H new ATOM 0 HA SER B 3 -22.818 -11.377 -3.703 1.00 0.00 H new ATOM 0 HB2 SER B 3 -22.508 -13.764 -5.577 1.00 0.00 H new ATOM 0 HB3 SER B 3 -21.340 -13.293 -4.357 1.00 0.00 H new ATOM 0 HG SER B 3 -22.791 -14.937 -3.595 1.00 0.00 H new ATOM 655 N SER B 4 -22.666 -10.405 -6.631 1.00 0.00 N ATOM 656 CA SER B 4 -21.969 -9.610 -7.620 1.00 0.00 C ATOM 657 C SER B 4 -21.201 -8.487 -6.940 1.00 0.00 C ATOM 658 O SER B 4 -19.978 -8.479 -6.955 1.00 0.00 O ATOM 659 CB SER B 4 -22.973 -9.051 -8.627 1.00 0.00 C ATOM 660 OG SER B 4 -23.828 -10.079 -9.096 1.00 0.00 O ATOM 0 H SER B 4 -23.678 -10.430 -6.754 1.00 0.00 H new ATOM 0 HA SER B 4 -21.253 -10.237 -8.152 1.00 0.00 H new ATOM 0 HB2 SER B 4 -23.564 -8.262 -8.161 1.00 0.00 H new ATOM 0 HB3 SER B 4 -22.443 -8.599 -9.466 1.00 0.00 H new ATOM 0 HG SER B 4 -24.467 -9.706 -9.739 1.00 0.00 H new ATOM 666 N SER B 5 -21.926 -7.572 -6.308 1.00 0.00 N ATOM 667 CA SER B 5 -21.325 -6.462 -5.612 1.00 0.00 C ATOM 668 C SER B 5 -20.592 -6.975 -4.389 1.00 0.00 C ATOM 669 O SER B 5 -19.528 -6.493 -4.063 1.00 0.00 O ATOM 670 CB SER B 5 -22.411 -5.458 -5.210 1.00 0.00 C ATOM 671 OG SER B 5 -23.347 -5.293 -6.262 1.00 0.00 O ATOM 0 H SER B 5 -22.945 -7.586 -6.269 1.00 0.00 H new ATOM 0 HA SER B 5 -20.612 -5.958 -6.264 1.00 0.00 H new ATOM 0 HB2 SER B 5 -22.922 -5.805 -4.312 1.00 0.00 H new ATOM 0 HB3 SER B 5 -21.955 -4.498 -4.966 1.00 0.00 H new ATOM 0 HG SER B 5 -24.035 -4.650 -5.990 1.00 0.00 H new ATOM 677 N LEU B 6 -21.160 -8.004 -3.768 1.00 0.00 N ATOM 678 CA LEU B 6 -20.643 -8.566 -2.536 1.00 0.00 C ATOM 679 C LEU B 6 -19.229 -9.096 -2.713 1.00 0.00 C ATOM 680 O LEU B 6 -18.308 -8.586 -2.097 1.00 0.00 O ATOM 681 CB LEU B 6 -21.564 -9.689 -2.047 1.00 0.00 C ATOM 682 CG LEU B 6 -21.127 -10.384 -0.755 1.00 0.00 C ATOM 683 CD1 LEU B 6 -21.185 -9.420 0.421 1.00 0.00 C ATOM 684 CD2 LEU B 6 -21.997 -11.603 -0.488 1.00 0.00 C ATOM 0 H LEU B 6 -21.999 -8.471 -4.113 1.00 0.00 H new ATOM 0 HA LEU B 6 -20.611 -7.769 -1.793 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -22.562 -9.277 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -21.643 -10.439 -2.834 1.00 0.00 H new ATOM 0 HG LEU B 6 -20.095 -10.714 -0.875 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -20.870 -9.934 1.329 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -20.521 -8.577 0.233 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -22.206 -9.058 0.544 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -21.673 -12.086 0.434 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -23.037 -11.293 -0.390 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -21.904 -12.305 -1.317 1.00 0.00 H new ATOM 696 N GLU B 7 -19.066 -10.088 -3.583 1.00 0.00 N ATOM 697 CA GLU B 7 -17.816 -10.803 -3.710 1.00 0.00 C ATOM 698 C GLU B 7 -16.727 -9.879 -4.208 1.00 0.00 C ATOM 699 O GLU B 7 -15.623 -9.913 -3.698 1.00 0.00 O ATOM 700 CB GLU B 7 -17.972 -11.979 -4.669 1.00 0.00 C ATOM 701 CG GLU B 7 -17.193 -13.210 -4.249 1.00 0.00 C ATOM 702 CD GLU B 7 -17.805 -13.896 -3.045 1.00 0.00 C ATOM 703 OE1 GLU B 7 -17.449 -13.546 -1.902 1.00 0.00 O ATOM 704 OE2 GLU B 7 -18.653 -14.793 -3.237 1.00 0.00 O ATOM 0 H GLU B 7 -19.798 -10.412 -4.214 1.00 0.00 H new ATOM 0 HA GLU B 7 -17.537 -11.181 -2.727 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -19.028 -12.236 -4.747 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -17.644 -11.673 -5.663 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -17.151 -13.912 -5.082 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -16.166 -12.926 -4.019 1.00 0.00 H new ATOM 711 N ALA B 8 -17.071 -9.037 -5.181 1.00 0.00 N ATOM 712 CA ALA B 8 -16.126 -8.132 -5.811 1.00 0.00 C ATOM 713 C ALA B 8 -15.373 -7.323 -4.773 1.00 0.00 C ATOM 714 O ALA B 8 -14.156 -7.397 -4.701 1.00 0.00 O ATOM 715 CB ALA B 8 -16.852 -7.210 -6.780 1.00 0.00 C ATOM 0 H ALA B 8 -18.018 -8.967 -5.552 1.00 0.00 H new ATOM 0 HA ALA B 8 -15.400 -8.726 -6.365 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -16.135 -6.535 -7.247 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -17.344 -7.805 -7.549 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -17.598 -6.628 -6.239 1.00 0.00 H new ATOM 721 N VAL B 9 -16.104 -6.586 -3.945 1.00 0.00 N ATOM 722 CA VAL B 9 -15.492 -5.742 -2.947 1.00 0.00 C ATOM 723 C VAL B 9 -14.854 -6.593 -1.863 1.00 0.00 C ATOM 724 O VAL B 9 -13.738 -6.321 -1.468 1.00 0.00 O ATOM 725 CB VAL B 9 -16.507 -4.739 -2.336 1.00 0.00 C ATOM 726 CG1 VAL B 9 -17.667 -5.451 -1.653 1.00 0.00 C ATOM 727 CG2 VAL B 9 -15.815 -3.793 -1.368 1.00 0.00 C ATOM 0 H VAL B 9 -17.124 -6.562 -3.952 1.00 0.00 H new ATOM 0 HA VAL B 9 -14.716 -5.154 -3.437 1.00 0.00 H new ATOM 0 HB VAL B 9 -16.920 -4.155 -3.158 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -18.354 -4.713 -1.239 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -18.194 -6.069 -2.380 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -17.285 -6.082 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -16.546 -3.099 -0.952 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -15.360 -4.367 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -15.043 -3.233 -1.896 1.00 0.00 H new ATOM 737 N ARG B 10 -15.542 -7.663 -1.458 1.00 0.00 N ATOM 738 CA ARG B 10 -15.100 -8.534 -0.383 1.00 0.00 C ATOM 739 C ARG B 10 -13.684 -9.016 -0.625 1.00 0.00 C ATOM 740 O ARG B 10 -12.852 -8.940 0.260 1.00 0.00 O ATOM 741 CB ARG B 10 -16.041 -9.738 -0.262 1.00 0.00 C ATOM 742 CG ARG B 10 -15.615 -10.755 0.781 1.00 0.00 C ATOM 743 CD ARG B 10 -16.504 -11.988 0.749 1.00 0.00 C ATOM 744 NE ARG B 10 -16.077 -13.002 1.711 1.00 0.00 N ATOM 745 CZ ARG B 10 -16.036 -14.308 1.447 1.00 0.00 C ATOM 746 NH1 ARG B 10 -16.381 -14.760 0.247 1.00 0.00 N ATOM 747 NH2 ARG B 10 -15.644 -15.163 2.390 1.00 0.00 N ATOM 0 H ARG B 10 -16.429 -7.946 -1.875 1.00 0.00 H new ATOM 0 HA ARG B 10 -15.118 -7.964 0.546 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -17.041 -9.381 -0.018 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -16.107 -10.233 -1.231 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -14.579 -11.047 0.605 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -15.655 -10.301 1.771 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -17.533 -11.698 0.962 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -16.495 -12.415 -0.254 1.00 0.00 H new ATOM 0 HE ARG B 10 -15.793 -12.692 2.640 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -16.679 -14.107 -0.478 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -16.348 -15.760 0.050 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -15.376 -14.818 3.312 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -15.612 -16.163 2.190 1.00 0.00 H new ATOM 761 N ARG B 11 -13.416 -9.483 -1.835 1.00 0.00 N ATOM 762 CA ARG B 11 -12.136 -10.065 -2.163 1.00 0.00 C ATOM 763 C ARG B 11 -11.045 -9.007 -2.152 1.00 0.00 C ATOM 764 O ARG B 11 -10.077 -9.136 -1.426 1.00 0.00 O ATOM 765 CB ARG B 11 -12.197 -10.747 -3.533 1.00 0.00 C ATOM 766 CG ARG B 11 -10.911 -11.462 -3.915 1.00 0.00 C ATOM 767 CD ARG B 11 -11.002 -12.071 -5.305 1.00 0.00 C ATOM 768 NE ARG B 11 -11.308 -11.063 -6.321 1.00 0.00 N ATOM 769 CZ ARG B 11 -10.395 -10.507 -7.118 1.00 0.00 C ATOM 770 NH1 ARG B 11 -9.122 -10.862 -7.027 1.00 0.00 N ATOM 771 NH2 ARG B 11 -10.761 -9.601 -8.010 1.00 0.00 N ATOM 0 H ARG B 11 -14.080 -9.467 -2.609 1.00 0.00 H new ATOM 0 HA ARG B 11 -11.897 -10.814 -1.407 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -13.017 -11.465 -3.536 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -12.426 -9.999 -4.292 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -10.079 -10.759 -3.879 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -10.699 -12.245 -3.187 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -10.059 -12.560 -5.550 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -11.772 -12.842 -5.314 1.00 0.00 H new ATOM 0 HE ARG B 11 -12.279 -10.768 -6.426 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -8.836 -11.564 -6.345 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -8.428 -10.433 -7.639 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -11.741 -9.328 -8.088 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -10.063 -9.175 -8.620 1.00 0.00 H new ATOM 785 N LYS B 12 -11.249 -7.932 -2.907 1.00 0.00 N ATOM 786 CA LYS B 12 -10.198 -6.980 -3.180 1.00 0.00 C ATOM 787 C LYS B 12 -9.789 -6.217 -1.930 1.00 0.00 C ATOM 788 O LYS B 12 -8.612 -5.982 -1.734 1.00 0.00 O ATOM 789 CB LYS B 12 -10.625 -6.018 -4.293 1.00 0.00 C ATOM 790 CG LYS B 12 -9.519 -5.074 -4.744 1.00 0.00 C ATOM 791 CD LYS B 12 -9.817 -4.457 -6.102 1.00 0.00 C ATOM 792 CE LYS B 12 -11.088 -3.624 -6.089 1.00 0.00 C ATOM 793 NZ LYS B 12 -11.382 -3.056 -7.430 1.00 0.00 N ATOM 0 H LYS B 12 -12.144 -7.704 -3.340 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.324 -7.538 -3.517 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -10.968 -6.597 -5.150 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -11.474 -5.429 -3.946 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -9.394 -4.282 -4.005 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -8.575 -5.617 -4.792 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -8.978 -3.831 -6.407 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -9.911 -5.248 -6.846 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -11.925 -4.241 -5.763 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -10.987 -2.816 -5.365 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -12.256 -2.494 -7.385 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -10.594 -2.448 -7.730 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -11.503 -3.829 -8.115 1.00 0.00 H new ATOM 807 N ILE B 13 -10.745 -5.869 -1.069 1.00 0.00 N ATOM 808 CA ILE B 13 -10.447 -5.059 0.092 1.00 0.00 C ATOM 809 C ILE B 13 -9.549 -5.811 1.051 1.00 0.00 C ATOM 810 O ILE B 13 -8.735 -5.202 1.712 1.00 0.00 O ATOM 811 CB ILE B 13 -11.719 -4.551 0.825 1.00 0.00 C ATOM 812 CG1 ILE B 13 -12.641 -5.700 1.257 1.00 0.00 C ATOM 813 CG2 ILE B 13 -12.471 -3.574 -0.059 1.00 0.00 C ATOM 814 CD1 ILE B 13 -12.353 -6.238 2.645 1.00 0.00 C ATOM 0 H ILE B 13 -11.725 -6.138 -1.160 1.00 0.00 H new ATOM 0 HA ILE B 13 -9.924 -4.175 -0.275 1.00 0.00 H new ATOM 0 HB ILE B 13 -11.393 -4.044 1.733 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -13.674 -5.355 1.220 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -12.550 -6.514 0.538 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -13.361 -3.223 0.462 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -11.828 -2.725 -0.292 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -12.764 -4.071 -0.983 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -13.048 -7.046 2.873 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -11.331 -6.616 2.684 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -12.473 -5.439 3.377 1.00 0.00 H new ATOM 826 N ARG B 14 -9.664 -7.136 1.075 1.00 0.00 N ATOM 827 CA ARG B 14 -8.870 -7.953 1.963 1.00 0.00 C ATOM 828 C ARG B 14 -7.416 -7.843 1.557 1.00 0.00 C ATOM 829 O ARG B 14 -6.549 -7.691 2.395 1.00 0.00 O ATOM 830 CB ARG B 14 -9.317 -9.413 1.910 1.00 0.00 C ATOM 831 CG ARG B 14 -8.908 -10.218 3.133 1.00 0.00 C ATOM 832 CD ARG B 14 -8.379 -11.593 2.754 1.00 0.00 C ATOM 833 NE ARG B 14 -7.052 -11.515 2.141 1.00 0.00 N ATOM 834 CZ ARG B 14 -5.915 -11.679 2.815 1.00 0.00 C ATOM 835 NH1 ARG B 14 -5.942 -11.961 4.110 1.00 0.00 N ATOM 836 NH2 ARG B 14 -4.745 -11.568 2.198 1.00 0.00 N ATOM 0 H ARG B 14 -10.306 -7.662 0.482 1.00 0.00 H new ATOM 0 HA ARG B 14 -9.002 -7.599 2.986 1.00 0.00 H new ATOM 0 HB2 ARG B 14 -10.402 -9.449 1.807 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -8.897 -9.881 1.020 1.00 0.00 H new ATOM 0 HG2 ARG B 14 -8.143 -9.674 3.687 1.00 0.00 H new ATOM 0 HG3 ARG B 14 -9.764 -10.329 3.798 1.00 0.00 H new ATOM 0 HD2 ARG B 14 -8.332 -12.222 3.643 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -9.072 -12.071 2.061 1.00 0.00 H new ATOM 0 HE ARG B 14 -6.995 -11.324 1.141 1.00 0.00 H new ATOM 0 HH11 ARG B 14 -6.835 -12.053 4.593 1.00 0.00 H new ATOM 0 HH12 ARG B 14 -5.069 -12.086 4.623 1.00 0.00 H new ATOM 0 HH21 ARG B 14 -4.712 -11.356 1.201 1.00 0.00 H new ATOM 0 HH22 ARG B 14 -3.879 -11.695 2.721 1.00 0.00 H new ATOM 850 N SER B 15 -7.176 -7.880 0.253 1.00 0.00 N ATOM 851 CA SER B 15 -5.845 -7.791 -0.291 1.00 0.00 C ATOM 852 C SER B 15 -5.233 -6.446 0.051 1.00 0.00 C ATOM 853 O SER B 15 -4.081 -6.377 0.436 1.00 0.00 O ATOM 854 CB SER B 15 -5.890 -7.971 -1.810 1.00 0.00 C ATOM 855 OG SER B 15 -6.684 -9.091 -2.167 1.00 0.00 O ATOM 0 H SER B 15 -7.907 -7.973 -0.452 1.00 0.00 H new ATOM 0 HA SER B 15 -5.232 -8.580 0.144 1.00 0.00 H new ATOM 0 HB2 SER B 15 -6.294 -7.072 -2.274 1.00 0.00 H new ATOM 0 HB3 SER B 15 -4.878 -8.101 -2.194 1.00 0.00 H new ATOM 0 HG SER B 15 -6.699 -9.184 -3.142 1.00 0.00 H new ATOM 861 N LEU B 16 -6.036 -5.392 -0.058 1.00 0.00 N ATOM 862 CA LEU B 16 -5.574 -4.042 0.168 1.00 0.00 C ATOM 863 C LEU B 16 -5.111 -3.863 1.600 1.00 0.00 C ATOM 864 O LEU B 16 -4.139 -3.178 1.839 1.00 0.00 O ATOM 865 CB LEU B 16 -6.683 -3.037 -0.157 1.00 0.00 C ATOM 866 CG LEU B 16 -7.154 -3.027 -1.613 1.00 0.00 C ATOM 867 CD1 LEU B 16 -8.256 -2.000 -1.813 1.00 0.00 C ATOM 868 CD2 LEU B 16 -5.988 -2.745 -2.548 1.00 0.00 C ATOM 0 H LEU B 16 -7.023 -5.458 -0.306 1.00 0.00 H new ATOM 0 HA LEU B 16 -4.727 -3.858 -0.493 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -7.540 -3.248 0.483 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -6.331 -2.038 0.100 1.00 0.00 H new ATOM 0 HG LEU B 16 -7.556 -4.012 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -8.577 -2.009 -2.855 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -9.102 -2.244 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -7.881 -1.009 -1.557 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -6.341 -2.742 -3.579 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -5.557 -1.773 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -5.229 -3.518 -2.427 1.00 0.00 H new ATOM 880 N GLN B 17 -5.803 -4.497 2.542 1.00 0.00 N ATOM 881 CA GLN B 17 -5.452 -4.399 3.946 1.00 0.00 C ATOM 882 C GLN B 17 -4.041 -4.911 4.168 1.00 0.00 C ATOM 883 O GLN B 17 -3.215 -4.206 4.724 1.00 0.00 O ATOM 884 CB GLN B 17 -6.442 -5.186 4.805 1.00 0.00 C ATOM 885 CG GLN B 17 -7.870 -4.669 4.712 1.00 0.00 C ATOM 886 CD GLN B 17 -8.833 -5.436 5.595 1.00 0.00 C ATOM 887 OE1 GLN B 17 -8.645 -6.624 5.857 1.00 0.00 O ATOM 888 NE2 GLN B 17 -9.871 -4.760 6.060 1.00 0.00 N ATOM 0 H GLN B 17 -6.614 -5.086 2.352 1.00 0.00 H new ATOM 0 HA GLN B 17 -5.498 -3.351 4.242 1.00 0.00 H new ATOM 0 HB2 GLN B 17 -6.422 -6.233 4.501 1.00 0.00 H new ATOM 0 HB3 GLN B 17 -6.118 -5.150 5.845 1.00 0.00 H new ATOM 0 HG2 GLN B 17 -7.889 -3.616 4.992 1.00 0.00 H new ATOM 0 HG3 GLN B 17 -8.207 -4.730 3.677 1.00 0.00 H new ATOM 0 HE21 GLN B 17 -9.989 -3.776 5.818 1.00 0.00 H new ATOM 0 HE22 GLN B 17 -10.553 -5.223 6.660 1.00 0.00 H new ATOM 897 N GLU B 18 -3.772 -6.121 3.688 1.00 0.00 N ATOM 898 CA GLU B 18 -2.476 -6.745 3.847 1.00 0.00 C ATOM 899 C GLU B 18 -1.426 -5.906 3.142 1.00 0.00 C ATOM 900 O GLU B 18 -0.379 -5.652 3.696 1.00 0.00 O ATOM 901 CB GLU B 18 -2.511 -8.175 3.289 1.00 0.00 C ATOM 902 CG GLU B 18 -1.451 -9.112 3.864 1.00 0.00 C ATOM 903 CD GLU B 18 -0.065 -8.900 3.285 1.00 0.00 C ATOM 904 OE1 GLU B 18 0.124 -9.169 2.079 1.00 0.00 O ATOM 905 OE2 GLU B 18 0.846 -8.495 4.032 1.00 0.00 O ATOM 0 H GLU B 18 -4.449 -6.690 3.180 1.00 0.00 H new ATOM 0 HA GLU B 18 -2.220 -6.804 4.905 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -3.496 -8.601 3.481 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -2.389 -8.131 2.207 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -1.407 -8.976 4.945 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -1.755 -10.143 3.684 1.00 0.00 H new ATOM 912 N GLN B 19 -1.761 -5.431 1.942 1.00 0.00 N ATOM 913 CA GLN B 19 -0.870 -4.614 1.143 1.00 0.00 C ATOM 914 C GLN B 19 -0.401 -3.407 1.933 1.00 0.00 C ATOM 915 O GLN B 19 0.781 -3.109 1.948 1.00 0.00 O ATOM 916 CB GLN B 19 -1.571 -4.160 -0.141 1.00 0.00 C ATOM 917 CG GLN B 19 -0.699 -3.313 -1.053 1.00 0.00 C ATOM 918 CD GLN B 19 0.534 -4.050 -1.536 1.00 0.00 C ATOM 919 OE1 GLN B 19 0.509 -4.708 -2.575 1.00 0.00 O ATOM 920 NE2 GLN B 19 1.624 -3.942 -0.792 1.00 0.00 N ATOM 0 H GLN B 19 -2.664 -5.607 1.502 1.00 0.00 H new ATOM 0 HA GLN B 19 -0.001 -5.215 0.877 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -1.907 -5.040 -0.690 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -2.462 -3.591 0.125 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -1.286 -2.992 -1.914 1.00 0.00 H new ATOM 0 HG3 GLN B 19 -0.393 -2.412 -0.522 1.00 0.00 H new ATOM 0 HE21 GLN B 19 1.605 -3.387 0.063 1.00 0.00 H new ATOM 0 HE22 GLN B 19 2.483 -4.414 -1.074 1.00 0.00 H new ATOM 929 N ASN B 20 -1.333 -2.739 2.603 1.00 0.00 N ATOM 930 CA ASN B 20 -1.021 -1.556 3.380 1.00 0.00 C ATOM 931 C ASN B 20 -0.045 -1.891 4.487 1.00 0.00 C ATOM 932 O ASN B 20 1.007 -1.281 4.577 1.00 0.00 O ATOM 933 CB ASN B 20 -2.292 -0.933 3.968 1.00 0.00 C ATOM 934 CG ASN B 20 -2.964 0.037 3.012 1.00 0.00 C ATOM 935 OD1 ASN B 20 -2.662 1.229 3.006 1.00 0.00 O ATOM 936 ND2 ASN B 20 -3.884 -0.461 2.198 1.00 0.00 N ATOM 0 H ASN B 20 -2.318 -3.004 2.620 1.00 0.00 H new ATOM 0 HA ASN B 20 -0.560 -0.828 2.712 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -2.994 -1.726 4.228 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -2.043 -0.412 4.892 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -4.367 0.150 1.539 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -4.109 -1.455 2.230 1.00 0.00 H new ATOM 943 N TYR B 21 -0.379 -2.895 5.295 1.00 0.00 N ATOM 944 CA TYR B 21 0.449 -3.265 6.420 1.00 0.00 C ATOM 945 C TYR B 21 1.799 -3.746 5.939 1.00 0.00 C ATOM 946 O TYR B 21 2.795 -3.464 6.564 1.00 0.00 O ATOM 947 CB TYR B 21 -0.212 -4.349 7.282 1.00 0.00 C ATOM 948 CG TYR B 21 0.694 -4.838 8.397 1.00 0.00 C ATOM 949 CD1 TYR B 21 0.917 -4.059 9.527 1.00 0.00 C ATOM 950 CD2 TYR B 21 1.354 -6.061 8.304 1.00 0.00 C ATOM 951 CE1 TYR B 21 1.765 -4.485 10.531 1.00 0.00 C ATOM 952 CE2 TYR B 21 2.210 -6.488 9.305 1.00 0.00 C ATOM 953 CZ TYR B 21 2.410 -5.696 10.415 1.00 0.00 C ATOM 954 OH TYR B 21 3.269 -6.111 11.410 1.00 0.00 O ATOM 0 H TYR B 21 -1.220 -3.462 5.184 1.00 0.00 H new ATOM 0 HA TYR B 21 0.577 -2.377 7.038 1.00 0.00 H new ATOM 0 HB2 TYR B 21 -1.132 -3.955 7.713 1.00 0.00 H new ATOM 0 HB3 TYR B 21 -0.491 -5.192 6.649 1.00 0.00 H new ATOM 0 HD1 TYR B 21 0.419 -3.105 9.621 1.00 0.00 H new ATOM 0 HD2 TYR B 21 1.196 -6.686 7.438 1.00 0.00 H new ATOM 0 HE1 TYR B 21 1.922 -3.870 11.405 1.00 0.00 H new ATOM 0 HE2 TYR B 21 2.718 -7.437 9.216 1.00 0.00 H new ATOM 0 HH TYR B 21 4.184 -6.140 11.061 1.00 0.00 H new ATOM 964 N HIS B 22 1.817 -4.445 4.813 1.00 0.00 N ATOM 965 CA HIS B 22 3.034 -5.003 4.266 1.00 0.00 C ATOM 966 C HIS B 22 4.056 -3.904 4.053 1.00 0.00 C ATOM 967 O HIS B 22 5.211 -4.070 4.384 1.00 0.00 O ATOM 968 CB HIS B 22 2.742 -5.719 2.947 1.00 0.00 C ATOM 969 CG HIS B 22 3.620 -6.904 2.705 1.00 0.00 C ATOM 970 ND1 HIS B 22 3.220 -8.191 2.973 1.00 0.00 N ATOM 971 CD2 HIS B 22 4.881 -6.996 2.227 1.00 0.00 C ATOM 972 CE1 HIS B 22 4.193 -9.025 2.672 1.00 0.00 C ATOM 973 NE2 HIS B 22 5.217 -8.327 2.217 1.00 0.00 N ATOM 0 H HIS B 22 0.984 -4.638 4.256 1.00 0.00 H new ATOM 0 HA HIS B 22 3.439 -5.729 4.972 1.00 0.00 H new ATOM 0 HB2 HIS B 22 1.701 -6.041 2.940 1.00 0.00 H new ATOM 0 HB3 HIS B 22 2.863 -5.013 2.125 1.00 0.00 H new ATOM 0 HD1 HIS B 22 2.310 -8.459 3.347 1.00 0.00 H new ATOM 0 HD2 HIS B 22 5.508 -6.175 1.912 1.00 0.00 H new ATOM 0 HE1 HIS B 22 4.159 -10.099 2.779 1.00 0.00 H new ATOM 982 N LEU B 23 3.604 -2.770 3.536 1.00 0.00 N ATOM 983 CA LEU B 23 4.473 -1.641 3.287 1.00 0.00 C ATOM 984 C LEU B 23 4.899 -1.024 4.605 1.00 0.00 C ATOM 985 O LEU B 23 6.070 -0.763 4.807 1.00 0.00 O ATOM 986 CB LEU B 23 3.764 -0.608 2.410 1.00 0.00 C ATOM 987 CG LEU B 23 3.334 -1.116 1.030 1.00 0.00 C ATOM 988 CD1 LEU B 23 2.522 -0.061 0.297 1.00 0.00 C ATOM 989 CD2 LEU B 23 4.552 -1.511 0.207 1.00 0.00 C ATOM 0 H LEU B 23 2.629 -2.612 3.280 1.00 0.00 H new ATOM 0 HA LEU B 23 5.362 -1.983 2.756 1.00 0.00 H new ATOM 0 HB2 LEU B 23 2.882 -0.249 2.939 1.00 0.00 H new ATOM 0 HB3 LEU B 23 4.426 0.248 2.276 1.00 0.00 H new ATOM 0 HG LEU B 23 2.706 -1.996 1.170 1.00 0.00 H new ATOM 0 HD11 LEU B 23 2.227 -0.443 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU B 23 1.631 0.180 0.876 1.00 0.00 H new ATOM 0 HD13 LEU B 23 3.125 0.838 0.169 1.00 0.00 H new ATOM 0 HD21 LEU B 23 4.230 -1.870 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU B 23 5.202 -0.645 0.080 1.00 0.00 H new ATOM 0 HD23 LEU B 23 5.098 -2.302 0.722 1.00 0.00 H new ATOM 1001 N GLU B 24 3.935 -0.840 5.502 1.00 0.00 N ATOM 1002 CA GLU B 24 4.178 -0.286 6.823 1.00 0.00 C ATOM 1003 C GLU B 24 5.216 -1.120 7.557 1.00 0.00 C ATOM 1004 O GLU B 24 6.175 -0.589 8.081 1.00 0.00 O ATOM 1005 CB GLU B 24 2.863 -0.251 7.611 1.00 0.00 C ATOM 1006 CG GLU B 24 2.996 0.217 9.052 1.00 0.00 C ATOM 1007 CD GLU B 24 3.472 1.651 9.173 1.00 0.00 C ATOM 1008 OE1 GLU B 24 2.809 2.550 8.616 1.00 0.00 O ATOM 1009 OE2 GLU B 24 4.488 1.888 9.854 1.00 0.00 O ATOM 0 H GLU B 24 2.958 -1.074 5.328 1.00 0.00 H new ATOM 0 HA GLU B 24 4.561 0.730 6.725 1.00 0.00 H new ATOM 0 HB2 GLU B 24 2.163 0.405 7.094 1.00 0.00 H new ATOM 0 HB3 GLU B 24 2.426 -1.250 7.607 1.00 0.00 H new ATOM 0 HG2 GLU B 24 2.031 0.118 9.550 1.00 0.00 H new ATOM 0 HG3 GLU B 24 3.694 -0.436 9.576 1.00 0.00 H new ATOM 1016 N ASN B 25 5.023 -2.431 7.546 1.00 0.00 N ATOM 1017 CA ASN B 25 5.903 -3.355 8.229 1.00 0.00 C ATOM 1018 C ASN B 25 7.321 -3.206 7.717 1.00 0.00 C ATOM 1019 O ASN B 25 8.239 -3.031 8.499 1.00 0.00 O ATOM 1020 CB ASN B 25 5.414 -4.794 8.023 1.00 0.00 C ATOM 1021 CG ASN B 25 6.245 -5.813 8.779 1.00 0.00 C ATOM 1022 OD1 ASN B 25 5.963 -6.118 9.941 1.00 0.00 O ATOM 1023 ND2 ASN B 25 7.256 -6.366 8.126 1.00 0.00 N ATOM 0 H ASN B 25 4.247 -2.881 7.060 1.00 0.00 H new ATOM 0 HA ASN B 25 5.893 -3.128 9.295 1.00 0.00 H new ATOM 0 HB2 ASN B 25 4.375 -4.869 8.345 1.00 0.00 H new ATOM 0 HB3 ASN B 25 5.436 -5.031 6.959 1.00 0.00 H new ATOM 0 HD21 ASN B 25 7.834 -7.071 8.583 1.00 0.00 H new ATOM 0 HD22 ASN B 25 7.457 -6.087 7.166 1.00 0.00 H new ATOM 1030 N GLU B 26 7.478 -3.235 6.400 1.00 0.00 N ATOM 1031 CA GLU B 26 8.784 -3.186 5.784 1.00 0.00 C ATOM 1032 C GLU B 26 9.475 -1.871 6.069 1.00 0.00 C ATOM 1033 O GLU B 26 10.604 -1.876 6.519 1.00 0.00 O ATOM 1034 CB GLU B 26 8.700 -3.421 4.275 1.00 0.00 C ATOM 1035 CG GLU B 26 9.163 -4.806 3.853 1.00 0.00 C ATOM 1036 CD GLU B 26 8.225 -5.910 4.300 1.00 0.00 C ATOM 1037 OE1 GLU B 26 8.097 -6.140 5.519 1.00 0.00 O ATOM 1038 OE2 GLU B 26 7.638 -6.575 3.419 1.00 0.00 O ATOM 0 H GLU B 26 6.704 -3.293 5.738 1.00 0.00 H new ATOM 0 HA GLU B 26 9.376 -3.990 6.222 1.00 0.00 H new ATOM 0 HB2 GLU B 26 7.670 -3.275 3.949 1.00 0.00 H new ATOM 0 HB3 GLU B 26 9.305 -2.672 3.764 1.00 0.00 H new ATOM 0 HG2 GLU B 26 9.258 -4.836 2.768 1.00 0.00 H new ATOM 0 HG3 GLU B 26 10.155 -4.992 4.265 1.00 0.00 H new ATOM 1045 N VAL B 27 8.787 -0.752 5.844 1.00 0.00 N ATOM 1046 CA VAL B 27 9.399 0.553 5.999 1.00 0.00 C ATOM 1047 C VAL B 27 9.885 0.728 7.428 1.00 0.00 C ATOM 1048 O VAL B 27 10.964 1.245 7.643 1.00 0.00 O ATOM 1049 CB VAL B 27 8.444 1.711 5.589 1.00 0.00 C ATOM 1050 CG1 VAL B 27 7.253 1.827 6.523 1.00 0.00 C ATOM 1051 CG2 VAL B 27 9.197 3.030 5.520 1.00 0.00 C ATOM 0 H VAL B 27 7.809 -0.730 5.555 1.00 0.00 H new ATOM 0 HA VAL B 27 10.251 0.602 5.321 1.00 0.00 H new ATOM 0 HB VAL B 27 8.058 1.473 4.598 1.00 0.00 H new ATOM 0 HG11 VAL B 27 6.614 2.648 6.198 1.00 0.00 H new ATOM 0 HG12 VAL B 27 6.685 0.897 6.506 1.00 0.00 H new ATOM 0 HG13 VAL B 27 7.603 2.019 7.537 1.00 0.00 H new ATOM 0 HG21 VAL B 27 8.511 3.826 5.232 1.00 0.00 H new ATOM 0 HG22 VAL B 27 9.625 3.256 6.497 1.00 0.00 H new ATOM 0 HG23 VAL B 27 9.996 2.955 4.782 1.00 0.00 H new ATOM 1061 N ALA B 28 9.113 0.227 8.385 1.00 0.00 N ATOM 1062 CA ALA B 28 9.475 0.290 9.784 1.00 0.00 C ATOM 1063 C ALA B 28 10.737 -0.513 10.030 1.00 0.00 C ATOM 1064 O ALA B 28 11.685 -0.008 10.602 1.00 0.00 O ATOM 1065 CB ALA B 28 8.337 -0.233 10.646 1.00 0.00 C ATOM 0 H ALA B 28 8.220 -0.233 8.207 1.00 0.00 H new ATOM 0 HA ALA B 28 9.663 1.329 10.054 1.00 0.00 H new ATOM 0 HB1 ALA B 28 8.622 -0.180 11.697 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.447 0.374 10.481 1.00 0.00 H new ATOM 0 HB3 ALA B 28 8.125 -1.268 10.379 1.00 0.00 H new ATOM 1071 N ARG B 29 10.748 -1.748 9.540 1.00 0.00 N ATOM 1072 CA ARG B 29 11.861 -2.649 9.732 1.00 0.00 C ATOM 1073 C ARG B 29 13.112 -2.058 9.109 1.00 0.00 C ATOM 1074 O ARG B 29 14.147 -1.995 9.744 1.00 0.00 O ATOM 1075 CB ARG B 29 11.554 -4.005 9.094 1.00 0.00 C ATOM 1076 CG ARG B 29 12.451 -5.130 9.579 1.00 0.00 C ATOM 1077 CD ARG B 29 12.206 -6.404 8.791 1.00 0.00 C ATOM 1078 NE ARG B 29 12.581 -7.597 9.546 1.00 0.00 N ATOM 1079 CZ ARG B 29 13.060 -8.710 8.999 1.00 0.00 C ATOM 1080 NH1 ARG B 29 13.347 -8.761 7.703 1.00 0.00 N ATOM 1081 NH2 ARG B 29 13.279 -9.775 9.756 1.00 0.00 N ATOM 0 H ARG B 29 9.981 -2.146 8.999 1.00 0.00 H new ATOM 0 HA ARG B 29 12.024 -2.790 10.800 1.00 0.00 H new ATOM 0 HB2 ARG B 29 10.516 -4.266 9.301 1.00 0.00 H new ATOM 0 HB3 ARG B 29 11.651 -3.917 8.012 1.00 0.00 H new ATOM 0 HG2 ARG B 29 13.495 -4.834 9.482 1.00 0.00 H new ATOM 0 HG3 ARG B 29 12.269 -5.313 10.638 1.00 0.00 H new ATOM 0 HD2 ARG B 29 11.152 -6.464 8.518 1.00 0.00 H new ATOM 0 HD3 ARG B 29 12.774 -6.370 7.862 1.00 0.00 H new ATOM 0 HE ARG B 29 12.468 -7.575 10.559 1.00 0.00 H new ATOM 0 HH11 ARG B 29 13.200 -7.940 7.116 1.00 0.00 H new ATOM 0 HH12 ARG B 29 13.714 -9.621 7.295 1.00 0.00 H new ATOM 0 HH21 ARG B 29 13.080 -9.740 10.756 1.00 0.00 H new ATOM 0 HH22 ARG B 29 13.646 -10.630 9.339 1.00 0.00 H new ATOM 1095 N LEU B 30 12.982 -1.584 7.877 1.00 0.00 N ATOM 1096 CA LEU B 30 14.104 -1.081 7.115 1.00 0.00 C ATOM 1097 C LEU B 30 14.712 0.146 7.764 1.00 0.00 C ATOM 1098 O LEU B 30 15.917 0.212 7.901 1.00 0.00 O ATOM 1099 CB LEU B 30 13.686 -0.775 5.675 1.00 0.00 C ATOM 1100 CG LEU B 30 13.865 -1.926 4.677 1.00 0.00 C ATOM 1101 CD1 LEU B 30 13.114 -3.173 5.123 1.00 0.00 C ATOM 1102 CD2 LEU B 30 13.404 -1.498 3.293 1.00 0.00 C ATOM 0 H LEU B 30 12.091 -1.540 7.382 1.00 0.00 H new ATOM 0 HA LEU B 30 14.866 -1.860 7.098 1.00 0.00 H new ATOM 0 HB2 LEU B 30 12.638 -0.477 5.675 1.00 0.00 H new ATOM 0 HB3 LEU B 30 14.261 0.081 5.322 1.00 0.00 H new ATOM 0 HG LEU B 30 14.926 -2.173 4.638 1.00 0.00 H new ATOM 0 HD11 LEU B 30 13.263 -3.968 4.393 1.00 0.00 H new ATOM 0 HD12 LEU B 30 13.490 -3.497 6.094 1.00 0.00 H new ATOM 0 HD13 LEU B 30 12.050 -2.948 5.203 1.00 0.00 H new ATOM 0 HD21 LEU B 30 13.536 -2.324 2.594 1.00 0.00 H new ATOM 0 HD22 LEU B 30 12.351 -1.219 3.330 1.00 0.00 H new ATOM 0 HD23 LEU B 30 13.994 -0.644 2.961 1.00 0.00 H new ATOM 1114 N LYS B 31 13.889 1.101 8.192 1.00 0.00 N ATOM 1115 CA LYS B 31 14.409 2.316 8.780 1.00 0.00 C ATOM 1116 C LYS B 31 15.095 1.994 10.096 1.00 0.00 C ATOM 1117 O LYS B 31 16.078 2.614 10.442 1.00 0.00 O ATOM 1118 CB LYS B 31 13.310 3.385 8.944 1.00 0.00 C ATOM 1119 CG LYS B 31 12.164 3.026 9.881 1.00 0.00 C ATOM 1120 CD LYS B 31 12.501 3.316 11.334 1.00 0.00 C ATOM 1121 CE LYS B 31 11.290 3.116 12.225 1.00 0.00 C ATOM 1122 NZ LYS B 31 11.597 3.400 13.650 1.00 0.00 N ATOM 0 H LYS B 31 12.872 1.051 8.140 1.00 0.00 H new ATOM 0 HA LYS B 31 15.149 2.744 8.104 1.00 0.00 H new ATOM 0 HB2 LYS B 31 13.774 4.303 9.305 1.00 0.00 H new ATOM 0 HB3 LYS B 31 12.894 3.604 7.961 1.00 0.00 H new ATOM 0 HG2 LYS B 31 11.274 3.588 9.597 1.00 0.00 H new ATOM 0 HG3 LYS B 31 11.923 1.969 9.769 1.00 0.00 H new ATOM 0 HD2 LYS B 31 13.309 2.662 11.661 1.00 0.00 H new ATOM 0 HD3 LYS B 31 12.862 4.340 11.430 1.00 0.00 H new ATOM 0 HE2 LYS B 31 10.482 3.767 11.891 1.00 0.00 H new ATOM 0 HE3 LYS B 31 10.933 2.091 12.128 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 10.743 3.252 14.225 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 12.350 2.762 13.977 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 11.913 4.386 13.747 1.00 0.00 H new ATOM 1136 N LYS B 32 14.594 0.988 10.798 1.00 0.00 N ATOM 1137 CA LYS B 32 15.212 0.541 12.038 1.00 0.00 C ATOM 1138 C LYS B 32 16.545 -0.150 11.744 1.00 0.00 C ATOM 1139 O LYS B 32 17.474 -0.120 12.554 1.00 0.00 O ATOM 1140 CB LYS B 32 14.249 -0.392 12.786 1.00 0.00 C ATOM 1141 CG LYS B 32 14.843 -1.080 14.007 1.00 0.00 C ATOM 1142 CD LYS B 32 15.159 -2.539 13.718 1.00 0.00 C ATOM 1143 CE LYS B 32 15.802 -3.224 14.912 1.00 0.00 C ATOM 1144 NZ LYS B 32 17.142 -2.657 15.222 1.00 0.00 N ATOM 0 H LYS B 32 13.760 0.465 10.530 1.00 0.00 H new ATOM 0 HA LYS B 32 15.418 1.401 12.675 1.00 0.00 H new ATOM 0 HB2 LYS B 32 13.378 0.184 13.099 1.00 0.00 H new ATOM 0 HB3 LYS B 32 13.894 -1.155 12.093 1.00 0.00 H new ATOM 0 HG2 LYS B 32 15.752 -0.562 14.313 1.00 0.00 H new ATOM 0 HG3 LYS B 32 14.143 -1.015 14.840 1.00 0.00 H new ATOM 0 HD2 LYS B 32 14.242 -3.063 13.449 1.00 0.00 H new ATOM 0 HD3 LYS B 32 15.827 -2.603 12.859 1.00 0.00 H new ATOM 0 HE2 LYS B 32 15.154 -3.120 15.782 1.00 0.00 H new ATOM 0 HE3 LYS B 32 15.897 -4.291 14.711 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 17.624 -3.265 15.914 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 17.708 -2.608 14.351 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 17.032 -1.702 15.618 1.00 0.00 H new ATOM 1158 N LEU B 33 16.630 -0.752 10.566 1.00 0.00 N ATOM 1159 CA LEU B 33 17.837 -1.439 10.133 1.00 0.00 C ATOM 1160 C LEU B 33 18.890 -0.428 9.679 1.00 0.00 C ATOM 1161 O LEU B 33 20.063 -0.539 10.040 1.00 0.00 O ATOM 1162 CB LEU B 33 17.486 -2.434 9.006 1.00 0.00 C ATOM 1163 CG LEU B 33 18.602 -3.384 8.539 1.00 0.00 C ATOM 1164 CD1 LEU B 33 19.545 -2.692 7.568 1.00 0.00 C ATOM 1165 CD2 LEU B 33 19.368 -3.942 9.731 1.00 0.00 C ATOM 0 H LEU B 33 15.869 -0.778 9.888 1.00 0.00 H new ATOM 0 HA LEU B 33 18.259 -1.999 10.968 1.00 0.00 H new ATOM 0 HB2 LEU B 33 16.643 -3.040 9.339 1.00 0.00 H new ATOM 0 HB3 LEU B 33 17.145 -1.862 8.143 1.00 0.00 H new ATOM 0 HG LEU B 33 18.134 -4.215 8.012 1.00 0.00 H new ATOM 0 HD11 LEU B 33 20.323 -3.389 7.256 1.00 0.00 H new ATOM 0 HD12 LEU B 33 18.986 -2.357 6.694 1.00 0.00 H new ATOM 0 HD13 LEU B 33 20.003 -1.832 8.056 1.00 0.00 H new ATOM 0 HD21 LEU B 33 20.153 -4.611 9.378 1.00 0.00 H new ATOM 0 HD22 LEU B 33 19.816 -3.122 10.292 1.00 0.00 H new ATOM 0 HD23 LEU B 33 18.685 -4.493 10.377 1.00 0.00 H new ATOM 1177 N VAL B 34 18.467 0.562 8.899 1.00 0.00 N ATOM 1178 CA VAL B 34 19.389 1.572 8.377 1.00 0.00 C ATOM 1179 C VAL B 34 19.904 2.481 9.499 1.00 0.00 C ATOM 1180 O VAL B 34 20.940 3.135 9.362 1.00 0.00 O ATOM 1181 CB VAL B 34 18.732 2.419 7.258 1.00 0.00 C ATOM 1182 CG1 VAL B 34 17.655 3.333 7.813 1.00 0.00 C ATOM 1183 CG2 VAL B 34 19.771 3.221 6.492 1.00 0.00 C ATOM 0 H VAL B 34 17.496 0.689 8.614 1.00 0.00 H new ATOM 0 HA VAL B 34 20.237 1.041 7.944 1.00 0.00 H new ATOM 0 HB VAL B 34 18.258 1.725 6.564 1.00 0.00 H new ATOM 0 HG11 VAL B 34 17.215 3.912 7.001 1.00 0.00 H new ATOM 0 HG12 VAL B 34 16.881 2.734 8.292 1.00 0.00 H new ATOM 0 HG13 VAL B 34 18.094 4.010 8.545 1.00 0.00 H new ATOM 0 HG21 VAL B 34 19.279 3.805 5.714 1.00 0.00 H new ATOM 0 HG22 VAL B 34 20.289 3.893 7.176 1.00 0.00 H new ATOM 0 HG23 VAL B 34 20.491 2.542 6.035 1.00 0.00 H new ATOM 1193 N GLY B 35 19.176 2.506 10.610 1.00 0.00 N ATOM 1194 CA GLY B 35 19.605 3.271 11.765 1.00 0.00 C ATOM 1195 C GLY B 35 20.833 2.671 12.423 1.00 0.00 C ATOM 1196 O GLY B 35 21.584 3.365 13.108 1.00 0.00 O ATOM 0 H GLY B 35 18.294 2.008 10.731 1.00 0.00 H new ATOM 0 HA2 GLY B 35 19.821 4.295 11.461 1.00 0.00 H new ATOM 0 HA3 GLY B 35 18.792 3.318 12.490 1.00 0.00 H new ATOM 1200 N GLU B 36 21.041 1.374 12.209 1.00 0.00 N ATOM 1201 CA GLU B 36 22.203 0.685 12.750 1.00 0.00 C ATOM 1202 C GLU B 36 23.355 0.764 11.758 1.00 0.00 C ATOM 1203 O GLU B 36 23.292 0.191 10.668 1.00 0.00 O ATOM 1204 CB GLU B 36 21.867 -0.775 13.062 1.00 0.00 C ATOM 1205 CG GLU B 36 20.812 -0.934 14.140 1.00 0.00 C ATOM 1206 CD GLU B 36 21.195 -0.224 15.421 1.00 0.00 C ATOM 1207 OE1 GLU B 36 22.137 -0.685 16.098 1.00 0.00 O ATOM 1208 OE2 GLU B 36 20.554 0.797 15.760 1.00 0.00 O ATOM 0 H GLU B 36 20.417 0.780 11.663 1.00 0.00 H new ATOM 0 HA GLU B 36 22.499 1.171 13.679 1.00 0.00 H new ATOM 0 HB2 GLU B 36 21.521 -1.263 12.151 1.00 0.00 H new ATOM 0 HB3 GLU B 36 22.775 -1.290 13.374 1.00 0.00 H new ATOM 0 HG2 GLU B 36 19.862 -0.540 13.778 1.00 0.00 H new ATOM 0 HG3 GLU B 36 20.660 -1.994 14.345 1.00 0.00 H new ATOM 1215 N ARG B 37 24.389 1.502 12.125 1.00 0.00 N ATOM 1216 CA ARG B 37 25.516 1.731 11.243 1.00 0.00 C ATOM 1217 C ARG B 37 26.794 1.199 11.881 1.00 0.00 C ATOM 1218 O ARG B 37 27.463 1.965 12.607 1.00 0.00 O ATOM 1219 CB ARG B 37 25.651 3.232 10.955 1.00 0.00 C ATOM 1220 CG ARG B 37 24.320 3.929 10.718 1.00 0.00 C ATOM 1221 CD ARG B 37 24.503 5.395 10.376 1.00 0.00 C ATOM 1222 NE ARG B 37 24.940 5.589 8.997 1.00 0.00 N ATOM 1223 CZ ARG B 37 25.589 6.668 8.565 1.00 0.00 C ATOM 1224 NH1 ARG B 37 25.987 7.603 9.420 1.00 0.00 N ATOM 1225 NH2 ARG B 37 25.855 6.809 7.274 1.00 0.00 N ATOM 1226 OXT ARG B 37 27.113 0.007 11.675 1.00 0.00 O ATOM 0 H ARG B 37 24.469 1.955 13.035 1.00 0.00 H new ATOM 0 HA ARG B 37 25.349 1.204 10.304 1.00 0.00 H new ATOM 0 HB2 ARG B 37 26.158 3.710 11.793 1.00 0.00 H new ATOM 0 HB3 ARG B 37 26.285 3.370 10.079 1.00 0.00 H new ATOM 0 HG2 ARG B 37 23.788 3.431 9.907 1.00 0.00 H new ATOM 0 HG3 ARG B 37 23.699 3.839 11.609 1.00 0.00 H new ATOM 0 HD2 ARG B 37 23.563 5.924 10.535 1.00 0.00 H new ATOM 0 HD3 ARG B 37 25.235 5.836 11.053 1.00 0.00 H new ATOM 0 HE ARG B 37 24.735 4.852 8.322 1.00 0.00 H new ATOM 0 HH11 ARG B 37 25.796 7.498 10.416 1.00 0.00 H new ATOM 0 HH12 ARG B 37 26.484 8.427 9.080 1.00 0.00 H new ATOM 0 HH21 ARG B 37 25.562 6.091 6.612 1.00 0.00 H new ATOM 0 HH22 ARG B 37 26.352 7.636 6.943 1.00 0.00 H new TER 1240 ARG B 37