USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 624 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 20 GLN :FLIP amide:sc= -4.62! C(o=-33!,f=-32!) USER MOD Set 1.2: A 21 ASN : amide:sc= -11! C(o=-32!,f=-37!) USER MOD Set 1.3: B 20 GLN :FLIP amide:sc= -3.37! C(o=-33!,f=-32!) USER MOD Set 1.4: B 21 ASN : amide:sc= -13.4! C(o=-32!,f=-36!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 64:sc= 0.428 USER MOD Single : A 5 SER OG : rot 180:sc= 0.431 USER MOD Single : A 6 SER OG : rot 180:sc= -0.156 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0228 K(o=-0.023,f=-0.53!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -1.56 X(o=-1.6,f=-1.4) USER MOD Single : A 26 ASN : amide:sc= -1.32 X(o=-1.3,f=-1) USER MOD Single : A 32 LYS NZ :NH3+ 167:sc= -5.56! (180deg=-6.25!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 SER OG : rot 140:sc= -0.395 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 6 SER OG : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 23 HIS : no HD1:sc= -2.52 K(o=-2.5,f=-3.2!) USER MOD Single : B 26 ASN : amide:sc= -0.378! X(o=-0.38!,f=-0.8) USER MOD Single : B 32 LYS NZ :NH3+ -174:sc= -3.06! (180deg=-3.06!) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.822 -16.063 0.234 1.00 0.00 N ATOM 2 CA GLY A 1 -0.406 -17.445 0.065 1.00 0.00 C ATOM 3 C GLY A 1 0.070 -17.704 -1.366 1.00 0.00 C ATOM 4 O GLY A 1 -0.654 -18.292 -2.168 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.140 -15.913 1.213 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.021 -15.432 0.030 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.603 -15.853 -0.420 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.396 -17.675 0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.237 -18.110 0.302 1.00 0.00 H new ATOM 8 N ALA A 2 1.284 -17.251 -1.642 1.00 0.00 N ATOM 9 CA ALA A 2 1.865 -17.426 -2.962 1.00 0.00 C ATOM 10 C ALA A 2 3.277 -16.835 -2.976 1.00 0.00 C ATOM 11 O ALA A 2 3.763 -16.355 -1.953 1.00 0.00 O ATOM 12 CB ALA A 2 0.955 -16.784 -4.011 1.00 0.00 C ATOM 0 H ALA A 2 1.881 -16.763 -0.974 1.00 0.00 H new ATOM 0 HA ALA A 2 1.948 -18.485 -3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.392 -16.916 -5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.026 -17.258 -3.981 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.850 -15.720 -3.799 1.00 0.00 H new ATOM 18 N GLY A 3 3.895 -16.890 -4.146 1.00 0.00 N ATOM 19 CA GLY A 3 5.241 -16.365 -4.306 1.00 0.00 C ATOM 20 C GLY A 3 5.805 -16.715 -5.685 1.00 0.00 C ATOM 21 O GLY A 3 5.839 -17.883 -6.067 1.00 0.00 O ATOM 0 H GLY A 3 3.489 -17.290 -4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 3 5.231 -15.283 -4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 3 5.889 -16.772 -3.530 1.00 0.00 H new ATOM 25 N SER A 4 6.234 -15.681 -6.393 1.00 0.00 N ATOM 26 CA SER A 4 6.796 -15.865 -7.720 1.00 0.00 C ATOM 27 C SER A 4 7.042 -14.504 -8.377 1.00 0.00 C ATOM 28 O SER A 4 6.261 -13.572 -8.193 1.00 0.00 O ATOM 29 CB SER A 4 5.873 -16.716 -8.595 1.00 0.00 C ATOM 30 OG SER A 4 6.383 -18.034 -8.782 1.00 0.00 O ATOM 0 H SER A 4 6.204 -14.713 -6.073 1.00 0.00 H new ATOM 0 HA SER A 4 7.745 -16.391 -7.620 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.886 -16.771 -8.136 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.747 -16.235 -9.565 1.00 0.00 H new ATOM 0 HG SER A 4 6.414 -18.498 -7.919 1.00 0.00 H new ATOM 36 N SER A 5 8.132 -14.435 -9.128 1.00 0.00 N ATOM 37 CA SER A 5 8.490 -13.204 -9.813 1.00 0.00 C ATOM 38 C SER A 5 7.313 -12.712 -10.657 1.00 0.00 C ATOM 39 O SER A 5 6.381 -12.103 -10.135 1.00 0.00 O ATOM 40 CB SER A 5 9.727 -13.403 -10.691 1.00 0.00 C ATOM 41 OG SER A 5 9.538 -14.439 -11.652 1.00 0.00 O ATOM 0 H SER A 5 8.778 -15.210 -9.277 1.00 0.00 H new ATOM 0 HA SER A 5 8.728 -12.451 -9.061 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.961 -12.470 -11.204 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.584 -13.644 -10.062 1.00 0.00 H new ATOM 0 HG SER A 5 10.349 -14.534 -12.194 1.00 0.00 H new ATOM 47 N SER A 6 7.394 -12.996 -11.949 1.00 0.00 N ATOM 48 CA SER A 6 6.348 -12.589 -12.872 1.00 0.00 C ATOM 49 C SER A 6 6.312 -11.063 -12.984 1.00 0.00 C ATOM 50 O SER A 6 6.136 -10.368 -11.986 1.00 0.00 O ATOM 51 CB SER A 6 4.984 -13.120 -12.424 1.00 0.00 C ATOM 52 OG SER A 6 5.102 -14.314 -11.656 1.00 0.00 O ATOM 0 H SER A 6 8.168 -13.503 -12.378 1.00 0.00 H new ATOM 0 HA SER A 6 6.571 -13.013 -13.851 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.474 -12.358 -11.834 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.364 -13.312 -13.300 1.00 0.00 H new ATOM 0 HG SER A 6 4.210 -14.620 -11.388 1.00 0.00 H new ATOM 58 N LEU A 7 6.483 -10.589 -14.210 1.00 0.00 N ATOM 59 CA LEU A 7 6.472 -9.158 -14.466 1.00 0.00 C ATOM 60 C LEU A 7 5.026 -8.663 -14.507 1.00 0.00 C ATOM 61 O LEU A 7 4.737 -7.546 -14.081 1.00 0.00 O ATOM 62 CB LEU A 7 7.270 -8.835 -15.731 1.00 0.00 C ATOM 63 CG LEU A 7 7.612 -7.361 -15.949 1.00 0.00 C ATOM 64 CD1 LEU A 7 8.445 -6.812 -14.789 1.00 0.00 C ATOM 65 CD2 LEU A 7 8.302 -7.152 -17.299 1.00 0.00 C ATOM 0 H LEU A 7 6.630 -11.170 -15.036 1.00 0.00 H new ATOM 0 HA LEU A 7 6.969 -8.622 -13.658 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.200 -9.403 -15.705 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.705 -9.188 -16.593 1.00 0.00 H new ATOM 0 HG LEU A 7 6.681 -6.795 -15.972 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.674 -5.762 -14.970 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.882 -6.906 -13.860 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.374 -7.377 -14.709 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.534 -6.095 -17.429 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.224 -7.733 -17.330 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.640 -7.479 -18.101 1.00 0.00 H new ATOM 77 N GLU A 8 4.156 -9.516 -15.027 1.00 0.00 N ATOM 78 CA GLU A 8 2.747 -9.179 -15.130 1.00 0.00 C ATOM 79 C GLU A 8 2.082 -9.248 -13.754 1.00 0.00 C ATOM 80 O GLU A 8 1.291 -8.375 -13.398 1.00 0.00 O ATOM 81 CB GLU A 8 2.035 -10.094 -16.129 1.00 0.00 C ATOM 82 CG GLU A 8 2.772 -10.120 -17.469 1.00 0.00 C ATOM 83 CD GLU A 8 1.920 -9.496 -18.576 1.00 0.00 C ATOM 84 OE1 GLU A 8 0.705 -9.734 -18.633 1.00 0.00 O ATOM 85 OE2 GLU A 8 2.564 -8.735 -19.396 1.00 0.00 O ATOM 0 H GLU A 8 4.400 -10.441 -15.382 1.00 0.00 H new ATOM 0 HA GLU A 8 2.665 -8.157 -15.501 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.974 -11.104 -15.723 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.012 -9.749 -16.279 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.714 -9.578 -17.381 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.020 -11.148 -17.732 1.00 0.00 H new ATOM 93 N ALA A 9 2.427 -10.293 -13.017 1.00 0.00 N ATOM 94 CA ALA A 9 1.874 -10.487 -11.688 1.00 0.00 C ATOM 95 C ALA A 9 2.378 -9.376 -10.764 1.00 0.00 C ATOM 96 O ALA A 9 1.603 -8.800 -10.001 1.00 0.00 O ATOM 97 CB ALA A 9 2.245 -11.882 -11.179 1.00 0.00 C ATOM 0 H ALA A 9 3.083 -11.015 -13.315 1.00 0.00 H new ATOM 0 HA ALA A 9 0.786 -10.428 -11.712 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.830 -12.028 -10.182 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.840 -12.635 -11.854 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.330 -11.978 -11.138 1.00 0.00 H new ATOM 103 N VAL A 10 3.672 -9.110 -10.861 1.00 0.00 N ATOM 104 CA VAL A 10 4.287 -8.079 -10.043 1.00 0.00 C ATOM 105 C VAL A 10 3.847 -6.704 -10.547 1.00 0.00 C ATOM 106 O VAL A 10 3.801 -5.744 -9.780 1.00 0.00 O ATOM 107 CB VAL A 10 5.808 -8.254 -10.037 1.00 0.00 C ATOM 108 CG1 VAL A 10 6.498 -7.040 -9.412 1.00 0.00 C ATOM 109 CG2 VAL A 10 6.209 -9.543 -9.317 1.00 0.00 C ATOM 0 H VAL A 10 4.312 -9.591 -11.494 1.00 0.00 H new ATOM 0 HA VAL A 10 3.958 -8.167 -9.008 1.00 0.00 H new ATOM 0 HB VAL A 10 6.140 -8.331 -11.072 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.578 -7.191 -9.420 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.252 -6.146 -9.985 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.157 -6.917 -8.384 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.294 -9.643 -9.327 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.857 -9.508 -8.286 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.761 -10.398 -9.824 1.00 0.00 H new ATOM 119 N ARG A 11 3.532 -6.652 -11.833 1.00 0.00 N ATOM 120 CA ARG A 11 3.096 -5.410 -12.448 1.00 0.00 C ATOM 121 C ARG A 11 1.706 -5.025 -11.938 1.00 0.00 C ATOM 122 O ARG A 11 1.428 -3.849 -11.711 1.00 0.00 O ATOM 123 CB ARG A 11 3.056 -5.535 -13.972 1.00 0.00 C ATOM 124 CG ARG A 11 2.208 -4.423 -14.591 1.00 0.00 C ATOM 125 CD ARG A 11 2.289 -4.456 -16.119 1.00 0.00 C ATOM 126 NE ARG A 11 2.513 -3.090 -16.644 1.00 0.00 N ATOM 127 CZ ARG A 11 3.713 -2.474 -16.664 1.00 0.00 C ATOM 128 NH1 ARG A 11 4.812 -3.098 -16.188 1.00 0.00 N ATOM 129 NH2 ARG A 11 3.797 -1.252 -17.157 1.00 0.00 N ATOM 0 H ARG A 11 3.570 -7.451 -12.466 1.00 0.00 H new ATOM 0 HA ARG A 11 3.814 -4.636 -12.177 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.069 -5.489 -14.371 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.647 -6.506 -14.250 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.170 -4.534 -14.276 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.550 -3.454 -14.226 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.100 -5.113 -16.434 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.367 -4.866 -16.531 1.00 0.00 H new ATOM 0 HE ARG A 11 1.709 -2.583 -17.014 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.739 -4.042 -15.810 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.715 -2.625 -16.207 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.962 -0.788 -17.515 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.697 -0.772 -17.180 1.00 0.00 H new ATOM 142 N ARG A 12 0.869 -6.039 -11.773 1.00 0.00 N ATOM 143 CA ARG A 12 -0.486 -5.821 -11.294 1.00 0.00 C ATOM 144 C ARG A 12 -0.488 -5.636 -9.776 1.00 0.00 C ATOM 145 O ARG A 12 -1.351 -4.948 -9.232 1.00 0.00 O ATOM 146 CB ARG A 12 -1.394 -6.997 -11.660 1.00 0.00 C ATOM 147 CG ARG A 12 -2.841 -6.721 -11.244 1.00 0.00 C ATOM 148 CD ARG A 12 -3.332 -7.767 -10.242 1.00 0.00 C ATOM 149 NE ARG A 12 -4.768 -7.555 -9.952 1.00 0.00 N ATOM 150 CZ ARG A 12 -5.427 -8.133 -8.925 1.00 0.00 C ATOM 151 NH1 ARG A 12 -4.782 -8.966 -8.080 1.00 0.00 N ATOM 152 NH2 ARG A 12 -6.711 -7.873 -8.761 1.00 0.00 N ATOM 0 H ARG A 12 1.103 -7.014 -11.962 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.867 -4.919 -11.773 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.348 -7.176 -12.734 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.037 -7.903 -11.170 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.913 -5.727 -10.802 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.484 -6.726 -12.124 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.178 -8.768 -10.644 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.753 -7.700 -9.321 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.293 -6.933 -10.567 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.790 -9.162 -8.215 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.287 -9.399 -7.306 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.190 -7.244 -9.405 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.224 -8.301 -7.990 1.00 0.00 H new ATOM 165 N LYS A 13 0.487 -6.262 -9.133 1.00 0.00 N ATOM 166 CA LYS A 13 0.608 -6.176 -7.688 1.00 0.00 C ATOM 167 C LYS A 13 1.221 -4.825 -7.313 1.00 0.00 C ATOM 168 O LYS A 13 0.829 -4.217 -6.317 1.00 0.00 O ATOM 169 CB LYS A 13 1.384 -7.376 -7.142 1.00 0.00 C ATOM 170 CG LYS A 13 0.696 -7.957 -5.905 1.00 0.00 C ATOM 171 CD LYS A 13 -0.533 -8.780 -6.296 1.00 0.00 C ATOM 172 CE LYS A 13 -0.142 -10.217 -6.646 1.00 0.00 C ATOM 173 NZ LYS A 13 0.016 -11.025 -5.415 1.00 0.00 N ATOM 0 H LYS A 13 1.201 -6.831 -9.587 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.375 -6.223 -7.220 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.464 -8.143 -7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.400 -7.072 -6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.398 -8.584 -5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.399 -7.149 -5.236 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.249 -8.784 -5.474 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.029 -8.316 -7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.904 -10.662 -7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.790 -10.219 -7.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.281 -11.998 -5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.759 -10.608 -4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.882 -11.037 -4.890 1.00 0.00 H new ATOM 186 N ILE A 14 2.171 -4.395 -8.129 1.00 0.00 N ATOM 187 CA ILE A 14 2.843 -3.127 -7.894 1.00 0.00 C ATOM 188 C ILE A 14 1.853 -1.983 -8.118 1.00 0.00 C ATOM 189 O ILE A 14 1.699 -1.115 -7.261 1.00 0.00 O ATOM 190 CB ILE A 14 4.107 -3.024 -8.751 1.00 0.00 C ATOM 191 CG1 ILE A 14 5.033 -1.922 -8.230 1.00 0.00 C ATOM 192 CG2 ILE A 14 3.755 -2.828 -10.227 1.00 0.00 C ATOM 193 CD1 ILE A 14 4.502 -0.538 -8.606 1.00 0.00 C ATOM 0 H ILE A 14 2.492 -4.901 -8.954 1.00 0.00 H new ATOM 0 HA ILE A 14 3.181 -3.059 -6.860 1.00 0.00 H new ATOM 0 HB ILE A 14 4.651 -3.965 -8.673 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.123 -1.999 -7.146 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.033 -2.057 -8.643 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.671 -2.758 -10.813 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.165 -3.675 -10.576 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.178 -1.911 -10.345 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.178 0.227 -8.224 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.437 -0.456 -9.691 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.512 -0.398 -8.171 1.00 0.00 H new ATOM 205 N ARG A 15 1.208 -2.018 -9.275 1.00 0.00 N ATOM 206 CA ARG A 15 0.237 -0.994 -9.622 1.00 0.00 C ATOM 207 C ARG A 15 -0.938 -1.024 -8.643 1.00 0.00 C ATOM 208 O ARG A 15 -1.399 0.021 -8.187 1.00 0.00 O ATOM 209 CB ARG A 15 -0.286 -1.192 -11.046 1.00 0.00 C ATOM 210 CG ARG A 15 -0.032 0.051 -11.901 1.00 0.00 C ATOM 211 CD ARG A 15 1.345 -0.012 -12.564 1.00 0.00 C ATOM 212 NE ARG A 15 1.210 -0.441 -13.974 1.00 0.00 N ATOM 213 CZ ARG A 15 0.971 0.402 -15.001 1.00 0.00 C ATOM 214 NH1 ARG A 15 0.841 1.727 -14.784 1.00 0.00 N ATOM 215 NH2 ARG A 15 0.868 -0.091 -16.222 1.00 0.00 N ATOM 0 H ARG A 15 1.339 -2.739 -9.984 1.00 0.00 H new ATOM 0 HA ARG A 15 0.737 -0.027 -9.563 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.201 -2.055 -11.499 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.354 -1.407 -11.018 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.804 0.135 -12.666 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.100 0.944 -11.280 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.825 0.965 -12.517 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.986 -0.708 -12.023 1.00 0.00 H new ATOM 0 HE ARG A 15 1.303 -1.435 -14.183 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.923 2.099 -13.838 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.661 2.357 -15.566 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.969 -1.094 -16.377 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.688 0.531 -17.010 1.00 0.00 H new ATOM 228 N SER A 16 -1.392 -2.235 -8.351 1.00 0.00 N ATOM 229 CA SER A 16 -2.506 -2.414 -7.435 1.00 0.00 C ATOM 230 C SER A 16 -2.120 -1.926 -6.039 1.00 0.00 C ATOM 231 O SER A 16 -2.902 -1.243 -5.377 1.00 0.00 O ATOM 232 CB SER A 16 -2.944 -3.879 -7.383 1.00 0.00 C ATOM 233 OG SER A 16 -4.019 -4.082 -6.470 1.00 0.00 O ATOM 0 H SER A 16 -1.009 -3.100 -8.732 1.00 0.00 H new ATOM 0 HA SER A 16 -3.347 -1.823 -7.799 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.248 -4.202 -8.379 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.098 -4.500 -7.091 1.00 0.00 H new ATOM 0 HG SER A 16 -4.271 -5.029 -6.467 1.00 0.00 H new ATOM 239 N LEU A 17 -0.914 -2.293 -5.631 1.00 0.00 N ATOM 240 CA LEU A 17 -0.414 -1.900 -4.324 1.00 0.00 C ATOM 241 C LEU A 17 -0.279 -0.377 -4.271 1.00 0.00 C ATOM 242 O LEU A 17 -0.604 0.244 -3.260 1.00 0.00 O ATOM 243 CB LEU A 17 0.883 -2.645 -4.000 1.00 0.00 C ATOM 244 CG LEU A 17 0.742 -4.139 -3.704 1.00 0.00 C ATOM 245 CD1 LEU A 17 2.039 -4.885 -4.024 1.00 0.00 C ATOM 246 CD2 LEU A 17 0.287 -4.373 -2.261 1.00 0.00 C ATOM 0 H LEU A 17 -0.268 -2.858 -6.182 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.121 -2.185 -3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.568 -2.524 -4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.348 -2.166 -3.138 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.033 -4.544 -4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.912 -5.945 -3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.280 -4.759 -5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.849 -4.483 -3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.195 -5.444 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.020 -3.949 -1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.679 -3.893 -2.102 1.00 0.00 H new ATOM 258 N GLN A 18 0.201 0.181 -5.373 1.00 0.00 N ATOM 259 CA GLN A 18 0.384 1.619 -5.465 1.00 0.00 C ATOM 260 C GLN A 18 -0.937 2.341 -5.186 1.00 0.00 C ATOM 261 O GLN A 18 -0.985 3.259 -4.368 1.00 0.00 O ATOM 262 CB GLN A 18 0.946 2.014 -6.832 1.00 0.00 C ATOM 263 CG GLN A 18 1.816 3.269 -6.725 1.00 0.00 C ATOM 264 CD GLN A 18 1.577 4.203 -7.913 1.00 0.00 C ATOM 265 OE1 GLN A 18 1.172 5.344 -7.767 1.00 0.00 O ATOM 266 NE2 GLN A 18 1.850 3.656 -9.095 1.00 0.00 N ATOM 0 H GLN A 18 0.469 -0.337 -6.210 1.00 0.00 H new ATOM 0 HA GLN A 18 1.109 1.922 -4.709 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.535 1.192 -7.238 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.127 2.193 -7.528 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.593 3.793 -5.795 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.868 2.985 -6.687 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.186 2.694 -9.146 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.723 4.198 -9.949 1.00 0.00 H new ATOM 275 N GLU A 19 -1.974 1.898 -5.880 1.00 0.00 N ATOM 276 CA GLU A 19 -3.290 2.491 -5.717 1.00 0.00 C ATOM 277 C GLU A 19 -3.761 2.350 -4.268 1.00 0.00 C ATOM 278 O GLU A 19 -4.333 3.281 -3.704 1.00 0.00 O ATOM 279 CB GLU A 19 -4.297 1.863 -6.683 1.00 0.00 C ATOM 280 CG GLU A 19 -4.211 2.514 -8.065 1.00 0.00 C ATOM 281 CD GLU A 19 -5.470 2.228 -8.886 1.00 0.00 C ATOM 282 OE1 GLU A 19 -6.228 3.157 -9.202 1.00 0.00 O ATOM 283 OE2 GLU A 19 -5.650 0.989 -9.196 1.00 0.00 O ATOM 0 H GLU A 19 -1.930 1.136 -6.556 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.220 3.553 -5.954 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.106 0.793 -6.769 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.306 1.976 -6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.081 3.591 -7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.335 2.139 -8.594 1.00 0.00 H new ATOM 291 N GLN A 20 -3.500 1.179 -3.706 1.00 0.00 N ATOM 292 CA GLN A 20 -3.889 0.905 -2.333 1.00 0.00 C ATOM 293 C GLN A 20 -3.057 1.750 -1.367 1.00 0.00 C ATOM 294 O GLN A 20 -3.534 2.128 -0.298 1.00 0.00 O ATOM 295 CB GLN A 20 -3.755 -0.586 -2.012 1.00 0.00 C ATOM 296 CG GLN A 20 -3.780 -0.826 -0.502 1.00 0.00 C ATOM 297 CD GLN A 20 -4.148 -2.277 -0.183 1.00 0.00 C ATOM 298 OE1 GLN A 20 -3.694 -2.705 0.991 1.00 0.00 O flip ATOM 299 NE2 GLN A 20 -4.803 -2.961 -0.952 1.00 0.00 N flip ATOM 0 H GLN A 20 -3.024 0.409 -4.176 1.00 0.00 H new ATOM 0 HA GLN A 20 -4.938 1.177 -2.212 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.567 -1.138 -2.485 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.824 -0.969 -2.429 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.804 -0.593 -0.077 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.500 -0.154 -0.035 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.121 -2.570 -1.839 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.033 -3.924 -0.708 1.00 0.00 H new ATOM 308 N ASN A 21 -1.827 2.021 -1.777 1.00 0.00 N ATOM 309 CA ASN A 21 -0.923 2.814 -0.961 1.00 0.00 C ATOM 310 C ASN A 21 -1.496 4.224 -0.797 1.00 0.00 C ATOM 311 O ASN A 21 -1.533 4.757 0.311 1.00 0.00 O ATOM 312 CB ASN A 21 0.452 2.937 -1.620 1.00 0.00 C ATOM 313 CG ASN A 21 1.407 1.859 -1.102 1.00 0.00 C ATOM 314 OD1 ASN A 21 2.299 2.112 -0.310 1.00 0.00 O ATOM 315 ND2 ASN A 21 1.169 0.646 -1.593 1.00 0.00 N ATOM 0 H ASN A 21 -1.435 1.705 -2.664 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.817 2.317 0.003 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.350 2.848 -2.702 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.869 3.924 -1.419 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.751 -0.142 -1.309 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.405 0.504 -2.253 1.00 0.00 H new ATOM 322 N TYR A 22 -1.928 4.786 -1.916 1.00 0.00 N ATOM 323 CA TYR A 22 -2.496 6.123 -1.911 1.00 0.00 C ATOM 324 C TYR A 22 -3.924 6.109 -1.361 1.00 0.00 C ATOM 325 O TYR A 22 -4.416 7.125 -0.873 1.00 0.00 O ATOM 326 CB TYR A 22 -2.529 6.573 -3.372 1.00 0.00 C ATOM 327 CG TYR A 22 -1.234 7.233 -3.849 1.00 0.00 C ATOM 328 CD1 TYR A 22 -0.898 8.496 -3.405 1.00 0.00 C ATOM 329 CD2 TYR A 22 -0.401 6.565 -4.724 1.00 0.00 C ATOM 330 CE1 TYR A 22 0.321 9.117 -3.854 1.00 0.00 C ATOM 331 CE2 TYR A 22 0.818 7.186 -5.173 1.00 0.00 C ATOM 332 CZ TYR A 22 1.118 8.431 -4.716 1.00 0.00 C ATOM 333 OH TYR A 22 2.270 9.017 -5.141 1.00 0.00 O ATOM 0 H TYR A 22 -1.896 4.340 -2.833 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.905 6.789 -1.282 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.738 5.709 -4.003 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -3.353 7.274 -3.507 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.550 9.019 -2.721 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.664 5.577 -5.072 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.596 10.105 -3.514 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.479 6.675 -5.857 1.00 0.00 H new ATOM 0 HH TYR A 22 2.739 8.411 -5.752 1.00 0.00 H new ATOM 343 N HIS A 23 -4.551 4.946 -1.458 1.00 0.00 N ATOM 344 CA HIS A 23 -5.912 4.786 -0.977 1.00 0.00 C ATOM 345 C HIS A 23 -5.903 4.632 0.545 1.00 0.00 C ATOM 346 O HIS A 23 -6.758 5.188 1.233 1.00 0.00 O ATOM 347 CB HIS A 23 -6.606 3.621 -1.687 1.00 0.00 C ATOM 348 CG HIS A 23 -6.935 3.893 -3.136 1.00 0.00 C ATOM 349 ND1 HIS A 23 -7.541 2.956 -3.954 1.00 0.00 N ATOM 350 CD2 HIS A 23 -6.737 5.003 -3.901 1.00 0.00 C ATOM 351 CE1 HIS A 23 -7.696 3.491 -5.157 1.00 0.00 C ATOM 352 NE2 HIS A 23 -7.197 4.760 -5.122 1.00 0.00 N ATOM 0 H HIS A 23 -4.141 4.105 -1.863 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.493 5.677 -1.214 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -5.966 2.741 -1.629 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -7.527 3.381 -1.155 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -6.282 5.925 -3.570 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.140 3.007 -6.014 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -7.180 5.414 -5.905 1.00 0.00 H new ATOM 360 N LEU A 24 -4.929 3.875 1.026 1.00 0.00 N ATOM 361 CA LEU A 24 -4.798 3.641 2.455 1.00 0.00 C ATOM 362 C LEU A 24 -4.100 4.839 3.100 1.00 0.00 C ATOM 363 O LEU A 24 -4.298 5.113 4.283 1.00 0.00 O ATOM 364 CB LEU A 24 -4.099 2.306 2.717 1.00 0.00 C ATOM 365 CG LEU A 24 -5.009 1.134 3.089 1.00 0.00 C ATOM 366 CD1 LEU A 24 -4.501 -0.171 2.472 1.00 0.00 C ATOM 367 CD2 LEU A 24 -5.172 1.025 4.606 1.00 0.00 C ATOM 0 H LEU A 24 -4.222 3.415 0.452 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.780 3.556 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.534 2.033 1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.376 2.448 3.521 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.998 1.324 2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.165 -0.989 2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.480 -0.076 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.496 -0.379 2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.824 0.184 4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.196 0.869 5.066 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.612 1.945 4.992 1.00 0.00 H new ATOM 379 N GLU A 25 -3.296 5.520 2.296 1.00 0.00 N ATOM 380 CA GLU A 25 -2.568 6.682 2.775 1.00 0.00 C ATOM 381 C GLU A 25 -3.513 7.876 2.928 1.00 0.00 C ATOM 382 O GLU A 25 -3.450 8.599 3.920 1.00 0.00 O ATOM 383 CB GLU A 25 -1.403 7.021 1.844 1.00 0.00 C ATOM 384 CG GLU A 25 -0.738 8.336 2.253 1.00 0.00 C ATOM 385 CD GLU A 25 0.382 8.710 1.281 1.00 0.00 C ATOM 386 OE1 GLU A 25 0.394 8.234 0.136 1.00 0.00 O ATOM 387 OE2 GLU A 25 1.261 9.529 1.750 1.00 0.00 O ATOM 0 H GLU A 25 -3.133 5.289 1.316 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.151 6.446 3.754 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.669 6.216 1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.763 7.095 0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.483 9.132 2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.334 8.245 3.261 1.00 0.00 H new ATOM 395 N ASN A 26 -4.367 8.044 1.929 1.00 0.00 N ATOM 396 CA ASN A 26 -5.324 9.138 1.939 1.00 0.00 C ATOM 397 C ASN A 26 -6.474 8.794 2.887 1.00 0.00 C ATOM 398 O ASN A 26 -7.065 9.681 3.500 1.00 0.00 O ATOM 399 CB ASN A 26 -5.911 9.370 0.546 1.00 0.00 C ATOM 400 CG ASN A 26 -4.907 10.084 -0.361 1.00 0.00 C ATOM 401 OD1 ASN A 26 -4.279 11.060 0.012 1.00 0.00 O ATOM 402 ND2 ASN A 26 -4.791 9.543 -1.571 1.00 0.00 N ATOM 0 H ASN A 26 -4.416 7.441 1.108 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.803 10.039 2.264 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.192 8.415 0.102 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.821 9.964 0.626 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.146 9.946 -2.250 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.347 8.725 -1.819 1.00 0.00 H new ATOM 409 N GLU A 27 -6.758 7.503 2.977 1.00 0.00 N ATOM 410 CA GLU A 27 -7.828 7.031 3.840 1.00 0.00 C ATOM 411 C GLU A 27 -7.429 7.178 5.310 1.00 0.00 C ATOM 412 O GLU A 27 -8.184 7.732 6.108 1.00 0.00 O ATOM 413 CB GLU A 27 -8.195 5.581 3.514 1.00 0.00 C ATOM 414 CG GLU A 27 -9.300 5.074 4.443 1.00 0.00 C ATOM 415 CD GLU A 27 -9.998 3.850 3.846 1.00 0.00 C ATOM 416 OE1 GLU A 27 -9.480 2.729 3.951 1.00 0.00 O ATOM 417 OE2 GLU A 27 -11.120 4.095 3.258 1.00 0.00 O ATOM 0 H GLU A 27 -6.266 6.769 2.467 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.711 7.645 3.661 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.525 5.510 2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.313 4.948 3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.875 4.818 5.414 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.029 5.866 4.613 1.00 0.00 H new ATOM 425 N VAL A 28 -6.245 6.673 5.622 1.00 0.00 N ATOM 426 CA VAL A 28 -5.737 6.741 6.981 1.00 0.00 C ATOM 427 C VAL A 28 -5.597 8.208 7.396 1.00 0.00 C ATOM 428 O VAL A 28 -6.083 8.607 8.453 1.00 0.00 O ATOM 429 CB VAL A 28 -4.425 5.962 7.089 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.251 6.790 6.563 1.00 0.00 C ATOM 431 CG2 VAL A 28 -4.173 5.509 8.529 1.00 0.00 C ATOM 0 H VAL A 28 -5.623 6.215 4.956 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.436 6.272 7.674 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.513 5.071 6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.330 6.213 6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.423 7.041 5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.162 7.707 7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.234 4.958 8.578 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.116 6.381 9.180 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.989 4.865 8.856 1.00 0.00 H new ATOM 441 N ALA A 29 -4.932 8.971 6.541 1.00 0.00 N ATOM 442 CA ALA A 29 -4.723 10.384 6.805 1.00 0.00 C ATOM 443 C ALA A 29 -6.067 11.042 7.126 1.00 0.00 C ATOM 444 O ALA A 29 -6.208 11.700 8.157 1.00 0.00 O ATOM 445 CB ALA A 29 -4.030 11.031 5.604 1.00 0.00 C ATOM 0 H ALA A 29 -4.531 8.637 5.665 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.073 10.521 7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.873 12.091 5.802 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.068 10.547 5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.655 10.916 4.718 1.00 0.00 H new ATOM 451 N ARG A 30 -7.019 10.841 6.228 1.00 0.00 N ATOM 452 CA ARG A 30 -8.345 11.407 6.403 1.00 0.00 C ATOM 453 C ARG A 30 -9.018 10.809 7.639 1.00 0.00 C ATOM 454 O ARG A 30 -9.878 11.442 8.252 1.00 0.00 O ATOM 455 CB ARG A 30 -9.222 11.146 5.177 1.00 0.00 C ATOM 456 CG ARG A 30 -10.419 12.099 5.146 1.00 0.00 C ATOM 457 CD ARG A 30 -11.664 11.397 4.598 1.00 0.00 C ATOM 458 NE ARG A 30 -12.822 12.317 4.640 1.00 0.00 N ATOM 459 CZ ARG A 30 -12.967 13.390 3.833 1.00 0.00 C ATOM 460 NH1 ARG A 30 -12.025 13.687 2.912 1.00 0.00 N ATOM 461 NH2 ARG A 30 -14.043 14.144 3.957 1.00 0.00 N ATOM 0 H ARG A 30 -6.898 10.293 5.376 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.231 12.483 6.532 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.631 11.269 4.270 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.574 10.115 5.190 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.619 12.470 6.151 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.183 12.965 4.527 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.486 11.069 3.574 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.877 10.504 5.186 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.557 12.129 5.322 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.196 13.099 2.822 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.142 14.499 2.306 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.750 13.913 4.655 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.167 14.958 3.355 1.00 0.00 H new ATOM 474 N LEU A 31 -8.603 9.594 7.972 1.00 0.00 N ATOM 475 CA LEU A 31 -9.154 8.903 9.124 1.00 0.00 C ATOM 476 C LEU A 31 -8.652 9.574 10.404 1.00 0.00 C ATOM 477 O LEU A 31 -9.441 10.106 11.182 1.00 0.00 O ATOM 478 CB LEU A 31 -8.845 7.407 9.050 1.00 0.00 C ATOM 479 CG LEU A 31 -9.722 6.498 9.913 1.00 0.00 C ATOM 480 CD1 LEU A 31 -11.124 7.086 10.081 1.00 0.00 C ATOM 481 CD2 LEU A 31 -9.761 5.076 9.347 1.00 0.00 C ATOM 0 H LEU A 31 -7.891 9.071 7.462 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.241 8.979 9.130 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.937 7.088 8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.805 7.256 9.339 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.277 6.438 10.906 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.726 6.420 10.699 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.054 8.062 10.561 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.592 7.196 9.103 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.391 4.450 9.979 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.168 5.098 8.336 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.751 4.666 9.322 1.00 0.00 H new ATOM 493 N LYS A 32 -7.340 9.525 10.583 1.00 0.00 N ATOM 494 CA LYS A 32 -6.721 10.119 11.756 1.00 0.00 C ATOM 495 C LYS A 32 -7.175 11.575 11.882 1.00 0.00 C ATOM 496 O LYS A 32 -7.193 12.131 12.979 1.00 0.00 O ATOM 497 CB LYS A 32 -5.202 9.951 11.704 1.00 0.00 C ATOM 498 CG LYS A 32 -4.625 10.562 10.426 1.00 0.00 C ATOM 499 CD LYS A 32 -3.245 9.982 10.115 1.00 0.00 C ATOM 500 CE LYS A 32 -3.312 8.461 9.955 1.00 0.00 C ATOM 501 NZ LYS A 32 -2.652 7.791 11.097 1.00 0.00 N ATOM 0 H LYS A 32 -6.688 9.083 9.935 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.044 9.603 12.660 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.750 10.427 12.575 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.948 8.892 11.752 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.300 10.372 9.591 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.552 11.644 10.537 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.856 10.430 9.201 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.551 10.237 10.916 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.352 8.142 9.890 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.829 8.166 9.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.893 6.779 11.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.621 7.902 11.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.978 8.220 11.987 1.00 0.00 H new ATOM 514 N LYS A 33 -7.531 12.152 10.744 1.00 0.00 N ATOM 515 CA LYS A 33 -7.983 13.532 10.713 1.00 0.00 C ATOM 516 C LYS A 33 -9.444 13.596 11.167 1.00 0.00 C ATOM 517 O LYS A 33 -9.808 14.444 11.980 1.00 0.00 O ATOM 518 CB LYS A 33 -7.741 14.146 9.333 1.00 0.00 C ATOM 519 CG LYS A 33 -8.107 15.631 9.320 1.00 0.00 C ATOM 520 CD LYS A 33 -7.117 16.433 8.472 1.00 0.00 C ATOM 521 CE LYS A 33 -6.121 17.185 9.357 1.00 0.00 C ATOM 522 NZ LYS A 33 -5.006 17.718 8.543 1.00 0.00 N ATOM 0 H LYS A 33 -7.515 11.688 9.836 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.404 14.137 11.411 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.694 14.024 9.056 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.333 13.616 8.587 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.115 15.757 8.925 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.114 16.016 10.340 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.579 15.762 7.802 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.659 17.141 7.846 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.627 18.002 9.871 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.732 16.517 10.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.339 18.226 9.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.514 16.932 8.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.381 18.371 7.826 1.00 0.00 H new ATOM 535 N LEU A 34 -10.239 12.688 10.622 1.00 0.00 N ATOM 536 CA LEU A 34 -11.651 12.631 10.961 1.00 0.00 C ATOM 537 C LEU A 34 -11.804 12.199 12.421 1.00 0.00 C ATOM 538 O LEU A 34 -12.494 12.857 13.197 1.00 0.00 O ATOM 539 CB LEU A 34 -12.403 11.736 9.973 1.00 0.00 C ATOM 540 CG LEU A 34 -13.896 12.025 9.808 1.00 0.00 C ATOM 541 CD1 LEU A 34 -14.629 11.903 11.146 1.00 0.00 C ATOM 542 CD2 LEU A 34 -14.122 13.389 9.153 1.00 0.00 C ATOM 0 H LEU A 34 -9.933 11.986 9.948 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.104 13.618 10.871 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.926 11.825 8.997 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.287 10.700 10.291 1.00 0.00 H new ATOM 0 HG LEU A 34 -14.317 11.274 9.140 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -15.689 12.113 11.001 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -14.510 10.892 11.535 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -14.211 12.617 11.856 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -15.192 13.569 9.048 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.682 14.169 9.775 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.653 13.402 8.169 1.00 0.00 H new ATOM 554 N VAL A 35 -11.148 11.096 12.750 1.00 0.00 N ATOM 555 CA VAL A 35 -11.202 10.570 14.103 1.00 0.00 C ATOM 556 C VAL A 35 -10.961 11.706 15.099 1.00 0.00 C ATOM 557 O VAL A 35 -11.761 11.918 16.009 1.00 0.00 O ATOM 558 CB VAL A 35 -10.206 9.419 14.258 1.00 0.00 C ATOM 559 CG1 VAL A 35 -10.409 8.367 13.165 1.00 0.00 C ATOM 560 CG2 VAL A 35 -8.766 9.937 14.259 1.00 0.00 C ATOM 0 H VAL A 35 -10.577 10.552 12.103 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.189 10.159 14.312 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.392 8.942 15.221 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.688 7.560 13.298 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.420 7.965 13.230 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.263 8.826 12.187 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.078 9.099 14.370 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.563 10.450 13.319 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.630 10.631 15.088 1.00 0.00 H new ATOM 570 N GLY A 36 -9.857 12.408 14.891 1.00 0.00 N ATOM 571 CA GLY A 36 -9.501 13.517 15.759 1.00 0.00 C ATOM 572 C GLY A 36 -9.080 13.018 17.142 1.00 0.00 C ATOM 573 O GLY A 36 -7.983 13.322 17.609 1.00 0.00 O ATOM 0 H GLY A 36 -9.197 12.230 14.134 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.687 14.087 15.311 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.349 14.194 15.856 1.00 0.00 H new ATOM 577 N GLU A 37 -9.974 12.260 17.761 1.00 0.00 N ATOM 578 CA GLU A 37 -9.708 11.716 19.081 1.00 0.00 C ATOM 579 C GLU A 37 -8.411 10.903 19.070 1.00 0.00 C ATOM 580 O GLU A 37 -7.648 10.959 18.107 1.00 0.00 O ATOM 581 CB GLU A 37 -10.883 10.866 19.571 1.00 0.00 C ATOM 582 CG GLU A 37 -11.710 11.623 20.612 1.00 0.00 C ATOM 583 CD GLU A 37 -10.824 12.135 21.750 1.00 0.00 C ATOM 584 OE1 GLU A 37 -10.722 13.353 21.956 1.00 0.00 O ATOM 585 OE2 GLU A 37 -10.230 11.216 22.433 1.00 0.00 O ATOM 0 H GLU A 37 -10.883 12.010 17.372 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.587 12.547 19.776 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.516 10.593 18.727 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.510 9.937 20.003 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.219 12.462 20.137 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.482 10.968 21.014 1.00 0.00 H new ATOM 593 N ARG A 38 -8.202 10.167 20.152 1.00 0.00 N ATOM 594 CA ARG A 38 -7.011 9.344 20.278 1.00 0.00 C ATOM 595 C ARG A 38 -5.797 10.076 19.704 1.00 0.00 C ATOM 596 O ARG A 38 -5.514 9.973 18.511 1.00 0.00 O ATOM 597 CB ARG A 38 -7.184 8.009 19.551 1.00 0.00 C ATOM 598 CG ARG A 38 -5.906 7.173 19.630 1.00 0.00 C ATOM 599 CD ARG A 38 -5.677 6.651 21.049 1.00 0.00 C ATOM 600 NE ARG A 38 -4.260 6.835 21.434 1.00 0.00 N ATOM 601 CZ ARG A 38 -3.797 6.717 22.697 1.00 0.00 C ATOM 602 NH1 ARG A 38 -4.637 6.415 23.709 1.00 0.00 N ATOM 603 NH2 ARG A 38 -2.510 6.902 22.926 1.00 0.00 N ATOM 0 H ARG A 38 -8.837 10.123 20.949 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.854 9.149 21.339 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.013 7.455 19.992 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.441 8.190 18.507 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.973 6.334 18.937 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.053 7.776 19.319 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.324 7.180 21.749 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.943 5.595 21.104 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.591 7.065 20.699 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.630 6.274 23.523 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.279 6.328 24.660 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.882 7.130 22.155 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.143 6.817 23.874 1.00 0.00 H new TER 616 ARG A 38 ATOM 617 N GLY B 1 22.130 -2.321 -24.382 1.00 0.00 N ATOM 618 CA GLY B 1 21.825 -3.706 -24.062 1.00 0.00 C ATOM 619 C GLY B 1 20.862 -3.796 -22.878 1.00 0.00 C ATOM 620 O GLY B 1 19.677 -3.487 -23.011 1.00 0.00 O ATOM 0 H1 GLY B 1 22.785 -2.287 -25.189 1.00 0.00 H new ATOM 0 H2 GLY B 1 21.252 -1.820 -24.628 1.00 0.00 H new ATOM 0 H3 GLY B 1 22.571 -1.863 -23.559 1.00 0.00 H new ATOM 0 HA2 GLY B 1 21.385 -4.195 -24.931 1.00 0.00 H new ATOM 0 HA3 GLY B 1 22.746 -4.240 -23.828 1.00 0.00 H new ATOM 624 N ALA B 2 21.404 -4.220 -21.746 1.00 0.00 N ATOM 625 CA ALA B 2 20.606 -4.354 -20.539 1.00 0.00 C ATOM 626 C ALA B 2 19.526 -5.415 -20.761 1.00 0.00 C ATOM 627 O ALA B 2 19.332 -5.882 -21.882 1.00 0.00 O ATOM 628 CB ALA B 2 20.017 -2.993 -20.162 1.00 0.00 C ATOM 0 H ALA B 2 22.386 -4.475 -21.639 1.00 0.00 H new ATOM 0 HA ALA B 2 21.225 -4.684 -19.705 1.00 0.00 H new ATOM 0 HB1 ALA B 2 19.418 -3.094 -19.257 1.00 0.00 H new ATOM 0 HB2 ALA B 2 20.825 -2.283 -19.986 1.00 0.00 H new ATOM 0 HB3 ALA B 2 19.387 -2.631 -20.975 1.00 0.00 H new ATOM 634 N GLY B 3 18.852 -5.765 -19.676 1.00 0.00 N ATOM 635 CA GLY B 3 17.797 -6.762 -19.739 1.00 0.00 C ATOM 636 C GLY B 3 16.685 -6.447 -18.736 1.00 0.00 C ATOM 637 O GLY B 3 16.682 -5.382 -18.121 1.00 0.00 O ATOM 0 H GLY B 3 19.016 -5.376 -18.748 1.00 0.00 H new ATOM 0 HA2 GLY B 3 17.384 -6.796 -20.747 1.00 0.00 H new ATOM 0 HA3 GLY B 3 18.211 -7.749 -19.531 1.00 0.00 H new ATOM 641 N SER B 4 15.766 -7.392 -18.605 1.00 0.00 N ATOM 642 CA SER B 4 14.651 -7.229 -17.688 1.00 0.00 C ATOM 643 C SER B 4 13.911 -5.925 -17.990 1.00 0.00 C ATOM 644 O SER B 4 14.249 -5.221 -18.941 1.00 0.00 O ATOM 645 CB SER B 4 15.126 -7.245 -16.233 1.00 0.00 C ATOM 646 OG SER B 4 14.198 -7.903 -15.375 1.00 0.00 O ATOM 0 H SER B 4 15.771 -8.273 -19.119 1.00 0.00 H new ATOM 0 HA SER B 4 13.969 -8.067 -17.828 1.00 0.00 H new ATOM 0 HB2 SER B 4 16.093 -7.745 -16.173 1.00 0.00 H new ATOM 0 HB3 SER B 4 15.275 -6.221 -15.889 1.00 0.00 H new ATOM 0 HG SER B 4 14.685 -8.447 -14.722 1.00 0.00 H new ATOM 652 N SER B 5 12.916 -5.640 -17.163 1.00 0.00 N ATOM 653 CA SER B 5 12.126 -4.432 -17.330 1.00 0.00 C ATOM 654 C SER B 5 11.861 -3.787 -15.969 1.00 0.00 C ATOM 655 O SER B 5 10.727 -3.780 -15.491 1.00 0.00 O ATOM 656 CB SER B 5 10.805 -4.733 -18.042 1.00 0.00 C ATOM 657 OG SER B 5 10.473 -3.730 -18.998 1.00 0.00 O ATOM 0 H SER B 5 12.639 -6.225 -16.375 1.00 0.00 H new ATOM 0 HA SER B 5 12.692 -3.736 -17.950 1.00 0.00 H new ATOM 0 HB2 SER B 5 10.874 -5.700 -18.540 1.00 0.00 H new ATOM 0 HB3 SER B 5 10.005 -4.810 -17.305 1.00 0.00 H new ATOM 0 HG SER B 5 9.625 -3.959 -19.432 1.00 0.00 H new ATOM 663 N SER B 6 12.926 -3.262 -15.380 1.00 0.00 N ATOM 664 CA SER B 6 12.822 -2.617 -14.083 1.00 0.00 C ATOM 665 C SER B 6 12.356 -3.626 -13.033 1.00 0.00 C ATOM 666 O SER B 6 11.939 -3.243 -11.940 1.00 0.00 O ATOM 667 CB SER B 6 11.865 -1.425 -14.135 1.00 0.00 C ATOM 668 OG SER B 6 12.555 -0.181 -14.047 1.00 0.00 O ATOM 0 H SER B 6 13.865 -3.271 -15.778 1.00 0.00 H new ATOM 0 HA SER B 6 13.808 -2.244 -13.807 1.00 0.00 H new ATOM 0 HB2 SER B 6 11.295 -1.458 -15.063 1.00 0.00 H new ATOM 0 HB3 SER B 6 11.148 -1.500 -13.318 1.00 0.00 H new ATOM 0 HG SER B 6 11.909 0.555 -14.086 1.00 0.00 H new ATOM 674 N LEU B 7 12.442 -4.897 -13.399 1.00 0.00 N ATOM 675 CA LEU B 7 12.034 -5.963 -12.502 1.00 0.00 C ATOM 676 C LEU B 7 12.530 -5.653 -11.087 1.00 0.00 C ATOM 677 O LEU B 7 11.851 -5.956 -10.108 1.00 0.00 O ATOM 678 CB LEU B 7 12.503 -7.320 -13.033 1.00 0.00 C ATOM 679 CG LEU B 7 12.024 -8.547 -12.255 1.00 0.00 C ATOM 680 CD1 LEU B 7 11.704 -9.706 -13.201 1.00 0.00 C ATOM 681 CD2 LEU B 7 13.039 -8.947 -11.182 1.00 0.00 C ATOM 0 H LEU B 7 12.789 -5.212 -14.305 1.00 0.00 H new ATOM 0 HA LEU B 7 10.947 -6.023 -12.454 1.00 0.00 H new ATOM 0 HB2 LEU B 7 12.171 -7.418 -14.067 1.00 0.00 H new ATOM 0 HB3 LEU B 7 13.593 -7.326 -13.046 1.00 0.00 H new ATOM 0 HG LEU B 7 11.099 -8.285 -11.742 1.00 0.00 H new ATOM 0 HD11 LEU B 7 11.366 -10.565 -12.622 1.00 0.00 H new ATOM 0 HD12 LEU B 7 10.919 -9.404 -13.894 1.00 0.00 H new ATOM 0 HD13 LEU B 7 12.599 -9.976 -13.762 1.00 0.00 H new ATOM 0 HD21 LEU B 7 12.674 -9.822 -10.644 1.00 0.00 H new ATOM 0 HD22 LEU B 7 13.993 -9.183 -11.654 1.00 0.00 H new ATOM 0 HD23 LEU B 7 13.174 -8.121 -10.483 1.00 0.00 H new ATOM 693 N GLU B 8 13.709 -5.053 -11.028 1.00 0.00 N ATOM 694 CA GLU B 8 14.304 -4.698 -9.751 1.00 0.00 C ATOM 695 C GLU B 8 13.555 -3.520 -9.124 1.00 0.00 C ATOM 696 O GLU B 8 13.285 -3.518 -7.924 1.00 0.00 O ATOM 697 CB GLU B 8 15.792 -4.379 -9.908 1.00 0.00 C ATOM 698 CG GLU B 8 16.628 -5.660 -9.930 1.00 0.00 C ATOM 699 CD GLU B 8 17.221 -5.952 -8.550 1.00 0.00 C ATOM 700 OE1 GLU B 8 17.259 -5.058 -7.691 1.00 0.00 O ATOM 701 OE2 GLU B 8 17.651 -7.156 -8.385 1.00 0.00 O ATOM 0 H GLU B 8 14.268 -4.804 -11.844 1.00 0.00 H new ATOM 0 HA GLU B 8 14.218 -5.555 -9.083 1.00 0.00 H new ATOM 0 HB2 GLU B 8 15.952 -3.820 -10.830 1.00 0.00 H new ATOM 0 HB3 GLU B 8 16.119 -3.741 -9.087 1.00 0.00 H new ATOM 0 HG2 GLU B 8 16.008 -6.498 -10.248 1.00 0.00 H new ATOM 0 HG3 GLU B 8 17.430 -5.562 -10.661 1.00 0.00 H new ATOM 709 N ALA B 9 13.237 -2.547 -9.966 1.00 0.00 N ATOM 710 CA ALA B 9 12.524 -1.366 -9.511 1.00 0.00 C ATOM 711 C ALA B 9 11.086 -1.749 -9.156 1.00 0.00 C ATOM 712 O ALA B 9 10.573 -1.351 -8.111 1.00 0.00 O ATOM 713 CB ALA B 9 12.589 -0.283 -10.589 1.00 0.00 C ATOM 0 H ALA B 9 13.460 -2.553 -10.961 1.00 0.00 H new ATOM 0 HA ALA B 9 12.989 -0.960 -8.613 1.00 0.00 H new ATOM 0 HB1 ALA B 9 12.054 0.603 -10.247 1.00 0.00 H new ATOM 0 HB2 ALA B 9 13.630 -0.026 -10.784 1.00 0.00 H new ATOM 0 HB3 ALA B 9 12.129 -0.654 -11.505 1.00 0.00 H new ATOM 719 N VAL B 10 10.476 -2.519 -10.046 1.00 0.00 N ATOM 720 CA VAL B 10 9.107 -2.960 -9.840 1.00 0.00 C ATOM 721 C VAL B 10 9.072 -3.988 -8.707 1.00 0.00 C ATOM 722 O VAL B 10 8.046 -4.162 -8.052 1.00 0.00 O ATOM 723 CB VAL B 10 8.527 -3.496 -11.150 1.00 0.00 C ATOM 724 CG1 VAL B 10 7.032 -3.791 -11.008 1.00 0.00 C ATOM 725 CG2 VAL B 10 8.787 -2.523 -12.302 1.00 0.00 C ATOM 0 H VAL B 10 10.905 -2.848 -10.911 1.00 0.00 H new ATOM 0 HA VAL B 10 8.477 -2.122 -9.540 1.00 0.00 H new ATOM 0 HB VAL B 10 9.032 -4.433 -11.382 1.00 0.00 H new ATOM 0 HG11 VAL B 10 6.645 -4.171 -11.953 1.00 0.00 H new ATOM 0 HG12 VAL B 10 6.881 -4.537 -10.228 1.00 0.00 H new ATOM 0 HG13 VAL B 10 6.504 -2.875 -10.741 1.00 0.00 H new ATOM 0 HG21 VAL B 10 8.365 -2.927 -13.222 1.00 0.00 H new ATOM 0 HG22 VAL B 10 8.321 -1.563 -12.080 1.00 0.00 H new ATOM 0 HG23 VAL B 10 9.861 -2.384 -12.426 1.00 0.00 H new ATOM 735 N ARG B 11 10.208 -4.643 -8.510 1.00 0.00 N ATOM 736 CA ARG B 11 10.321 -5.649 -7.468 1.00 0.00 C ATOM 737 C ARG B 11 10.367 -4.984 -6.090 1.00 0.00 C ATOM 738 O ARG B 11 9.739 -5.460 -5.146 1.00 0.00 O ATOM 739 CB ARG B 11 11.577 -6.500 -7.658 1.00 0.00 C ATOM 740 CG ARG B 11 11.966 -7.202 -6.355 1.00 0.00 C ATOM 741 CD ARG B 11 13.164 -8.130 -6.568 1.00 0.00 C ATOM 742 NE ARG B 11 14.302 -7.689 -5.731 1.00 0.00 N ATOM 743 CZ ARG B 11 15.329 -8.486 -5.371 1.00 0.00 C ATOM 744 NH1 ARG B 11 15.371 -9.774 -5.772 1.00 0.00 N ATOM 745 NH2 ARG B 11 16.293 -7.987 -4.619 1.00 0.00 N ATOM 0 H ARG B 11 11.058 -4.496 -9.055 1.00 0.00 H new ATOM 0 HA ARG B 11 9.445 -6.295 -7.534 1.00 0.00 H new ATOM 0 HB2 ARG B 11 11.403 -7.242 -8.437 1.00 0.00 H new ATOM 0 HB3 ARG B 11 12.400 -5.870 -7.996 1.00 0.00 H new ATOM 0 HG2 ARG B 11 12.208 -6.459 -5.596 1.00 0.00 H new ATOM 0 HG3 ARG B 11 11.119 -7.776 -5.980 1.00 0.00 H new ATOM 0 HD2 ARG B 11 12.891 -9.154 -6.314 1.00 0.00 H new ATOM 0 HD3 ARG B 11 13.453 -8.129 -7.619 1.00 0.00 H new ATOM 0 HE ARG B 11 14.310 -6.722 -5.406 1.00 0.00 H new ATOM 0 HH11 ARG B 11 14.622 -10.152 -6.352 1.00 0.00 H new ATOM 0 HH12 ARG B 11 16.152 -10.369 -5.495 1.00 0.00 H new ATOM 0 HH21 ARG B 11 16.254 -7.013 -4.319 1.00 0.00 H new ATOM 0 HH22 ARG B 11 17.077 -8.576 -4.338 1.00 0.00 H new ATOM 758 N ARG B 12 11.116 -3.894 -6.021 1.00 0.00 N ATOM 759 CA ARG B 12 11.252 -3.158 -4.774 1.00 0.00 C ATOM 760 C ARG B 12 9.994 -2.329 -4.507 1.00 0.00 C ATOM 761 O ARG B 12 9.685 -2.015 -3.359 1.00 0.00 O ATOM 762 CB ARG B 12 12.468 -2.229 -4.813 1.00 0.00 C ATOM 763 CG ARG B 12 12.253 -1.086 -5.806 1.00 0.00 C ATOM 764 CD ARG B 12 13.292 0.019 -5.602 1.00 0.00 C ATOM 765 NE ARG B 12 13.412 0.833 -6.832 1.00 0.00 N ATOM 766 CZ ARG B 12 14.353 1.782 -7.023 1.00 0.00 C ATOM 767 NH1 ARG B 12 15.265 2.045 -6.063 1.00 0.00 N ATOM 768 NH2 ARG B 12 14.368 2.449 -8.162 1.00 0.00 N ATOM 0 H ARG B 12 11.635 -3.502 -6.807 1.00 0.00 H new ATOM 0 HA ARG B 12 11.389 -3.885 -3.973 1.00 0.00 H new ATOM 0 HB2 ARG B 12 12.651 -1.822 -3.819 1.00 0.00 H new ATOM 0 HB3 ARG B 12 13.355 -2.797 -5.093 1.00 0.00 H new ATOM 0 HG2 ARG B 12 12.318 -1.468 -6.825 1.00 0.00 H new ATOM 0 HG3 ARG B 12 11.251 -0.675 -5.682 1.00 0.00 H new ATOM 0 HD2 ARG B 12 13.002 0.652 -4.764 1.00 0.00 H new ATOM 0 HD3 ARG B 12 14.258 -0.420 -5.351 1.00 0.00 H new ATOM 0 HE ARG B 12 12.742 0.667 -7.583 1.00 0.00 H new ATOM 0 HH11 ARG B 12 15.246 1.525 -5.186 1.00 0.00 H new ATOM 0 HH12 ARG B 12 15.973 2.764 -6.215 1.00 0.00 H new ATOM 0 HH21 ARG B 12 13.675 2.244 -8.882 1.00 0.00 H new ATOM 0 HH22 ARG B 12 15.072 3.169 -8.322 1.00 0.00 H new ATOM 781 N LYS B 13 9.302 -1.998 -5.588 1.00 0.00 N ATOM 782 CA LYS B 13 8.085 -1.211 -5.484 1.00 0.00 C ATOM 783 C LYS B 13 6.941 -2.110 -5.009 1.00 0.00 C ATOM 784 O LYS B 13 6.094 -1.680 -4.227 1.00 0.00 O ATOM 785 CB LYS B 13 7.795 -0.495 -6.805 1.00 0.00 C ATOM 786 CG LYS B 13 7.549 0.998 -6.576 1.00 0.00 C ATOM 787 CD LYS B 13 8.784 1.821 -6.949 1.00 0.00 C ATOM 788 CE LYS B 13 9.579 2.211 -5.702 1.00 0.00 C ATOM 789 NZ LYS B 13 9.013 3.433 -5.088 1.00 0.00 N ATOM 0 H LYS B 13 9.561 -2.260 -6.539 1.00 0.00 H new ATOM 0 HA LYS B 13 8.203 -0.423 -4.740 1.00 0.00 H new ATOM 0 HB2 LYS B 13 8.634 -0.629 -7.487 1.00 0.00 H new ATOM 0 HB3 LYS B 13 6.923 -0.942 -7.282 1.00 0.00 H new ATOM 0 HG2 LYS B 13 6.696 1.325 -7.171 1.00 0.00 H new ATOM 0 HG3 LYS B 13 7.294 1.172 -5.531 1.00 0.00 H new ATOM 0 HD2 LYS B 13 9.418 1.246 -7.624 1.00 0.00 H new ATOM 0 HD3 LYS B 13 8.479 2.719 -7.486 1.00 0.00 H new ATOM 0 HE2 LYS B 13 9.561 1.393 -4.982 1.00 0.00 H new ATOM 0 HE3 LYS B 13 10.623 2.380 -5.967 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 9.564 3.684 -4.243 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 9.052 4.215 -5.772 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 8.024 3.259 -4.817 1.00 0.00 H new ATOM 802 N ILE B 14 6.954 -3.339 -5.501 1.00 0.00 N ATOM 803 CA ILE B 14 5.927 -4.302 -5.137 1.00 0.00 C ATOM 804 C ILE B 14 6.121 -4.719 -3.678 1.00 0.00 C ATOM 805 O ILE B 14 5.156 -4.812 -2.921 1.00 0.00 O ATOM 806 CB ILE B 14 5.923 -5.476 -6.117 1.00 0.00 C ATOM 807 CG1 ILE B 14 4.607 -6.253 -6.035 1.00 0.00 C ATOM 808 CG2 ILE B 14 7.137 -6.381 -5.894 1.00 0.00 C ATOM 809 CD1 ILE B 14 4.466 -6.955 -4.683 1.00 0.00 C ATOM 0 H ILE B 14 7.659 -3.691 -6.149 1.00 0.00 H new ATOM 0 HA ILE B 14 4.937 -3.851 -5.212 1.00 0.00 H new ATOM 0 HB ILE B 14 6.000 -5.077 -7.128 1.00 0.00 H new ATOM 0 HG12 ILE B 14 3.769 -5.572 -6.184 1.00 0.00 H new ATOM 0 HG13 ILE B 14 4.565 -6.990 -6.837 1.00 0.00 H new ATOM 0 HG21 ILE B 14 7.110 -7.208 -6.604 1.00 0.00 H new ATOM 0 HG22 ILE B 14 8.051 -5.806 -6.041 1.00 0.00 H new ATOM 0 HG23 ILE B 14 7.116 -6.774 -4.878 1.00 0.00 H new ATOM 0 HD11 ILE B 14 3.522 -7.499 -4.652 1.00 0.00 H new ATOM 0 HD12 ILE B 14 5.292 -7.653 -4.548 1.00 0.00 H new ATOM 0 HD13 ILE B 14 4.483 -6.213 -3.884 1.00 0.00 H new ATOM 821 N ARG B 15 7.376 -4.958 -3.325 1.00 0.00 N ATOM 822 CA ARG B 15 7.709 -5.363 -1.970 1.00 0.00 C ATOM 823 C ARG B 15 7.518 -4.193 -1.004 1.00 0.00 C ATOM 824 O ARG B 15 6.989 -4.368 0.092 1.00 0.00 O ATOM 825 CB ARG B 15 9.154 -5.858 -1.883 1.00 0.00 C ATOM 826 CG ARG B 15 9.260 -7.081 -0.970 1.00 0.00 C ATOM 827 CD ARG B 15 9.856 -8.275 -1.719 1.00 0.00 C ATOM 828 NE ARG B 15 9.080 -9.499 -1.420 1.00 0.00 N ATOM 829 CZ ARG B 15 7.918 -9.826 -2.027 1.00 0.00 C ATOM 830 NH1 ARG B 15 7.388 -9.020 -2.972 1.00 0.00 N ATOM 831 NH2 ARG B 15 7.309 -10.945 -1.682 1.00 0.00 N ATOM 0 H ARG B 15 8.175 -4.879 -3.955 1.00 0.00 H new ATOM 0 HA ARG B 15 7.041 -6.178 -1.694 1.00 0.00 H new ATOM 0 HB2 ARG B 15 9.516 -6.111 -2.879 1.00 0.00 H new ATOM 0 HB3 ARG B 15 9.793 -5.060 -1.504 1.00 0.00 H new ATOM 0 HG2 ARG B 15 9.881 -6.842 -0.107 1.00 0.00 H new ATOM 0 HG3 ARG B 15 8.272 -7.342 -0.590 1.00 0.00 H new ATOM 0 HD2 ARG B 15 9.848 -8.083 -2.792 1.00 0.00 H new ATOM 0 HD3 ARG B 15 10.897 -8.414 -1.428 1.00 0.00 H new ATOM 0 HE ARG B 15 9.445 -10.136 -0.712 1.00 0.00 H new ATOM 0 HH11 ARG B 15 7.865 -8.157 -3.232 1.00 0.00 H new ATOM 0 HH12 ARG B 15 6.510 -9.274 -3.425 1.00 0.00 H new ATOM 0 HH21 ARG B 15 7.716 -11.548 -0.967 1.00 0.00 H new ATOM 0 HH22 ARG B 15 6.431 -11.207 -2.130 1.00 0.00 H new ATOM 844 N SER B 16 7.959 -3.024 -1.447 1.00 0.00 N ATOM 845 CA SER B 16 7.844 -1.825 -0.636 1.00 0.00 C ATOM 846 C SER B 16 6.371 -1.451 -0.460 1.00 0.00 C ATOM 847 O SER B 16 5.895 -1.298 0.664 1.00 0.00 O ATOM 848 CB SER B 16 8.616 -0.661 -1.260 1.00 0.00 C ATOM 849 OG SER B 16 8.357 0.571 -0.593 1.00 0.00 O ATOM 0 H SER B 16 8.397 -2.883 -2.357 1.00 0.00 H new ATOM 0 HA SER B 16 8.279 -2.031 0.342 1.00 0.00 H new ATOM 0 HB2 SER B 16 9.684 -0.874 -1.225 1.00 0.00 H new ATOM 0 HB3 SER B 16 8.344 -0.568 -2.311 1.00 0.00 H new ATOM 0 HG SER B 16 8.870 1.289 -1.021 1.00 0.00 H new ATOM 855 N LEU B 17 5.690 -1.315 -1.588 1.00 0.00 N ATOM 856 CA LEU B 17 4.280 -0.963 -1.573 1.00 0.00 C ATOM 857 C LEU B 17 3.511 -1.987 -0.736 1.00 0.00 C ATOM 858 O LEU B 17 2.596 -1.627 0.003 1.00 0.00 O ATOM 859 CB LEU B 17 3.750 -0.813 -3.001 1.00 0.00 C ATOM 860 CG LEU B 17 4.287 0.379 -3.795 1.00 0.00 C ATOM 861 CD1 LEU B 17 3.783 0.347 -5.239 1.00 0.00 C ATOM 862 CD2 LEU B 17 3.948 1.698 -3.099 1.00 0.00 C ATOM 0 H LEU B 17 6.088 -1.442 -2.518 1.00 0.00 H new ATOM 0 HA LEU B 17 4.135 0.008 -1.100 1.00 0.00 H new ATOM 0 HB2 LEU B 17 3.983 -1.725 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.664 -0.735 -2.958 1.00 0.00 H new ATOM 0 HG LEU B 17 5.374 0.304 -3.831 1.00 0.00 H new ATOM 0 HD11 LEU B 17 4.179 1.205 -5.782 1.00 0.00 H new ATOM 0 HD12 LEU B 17 4.116 -0.572 -5.720 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.694 0.385 -5.245 1.00 0.00 H new ATOM 0 HD21 LEU B 17 4.341 2.530 -3.684 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.866 1.795 -3.011 1.00 0.00 H new ATOM 0 HD23 LEU B 17 4.395 1.710 -2.105 1.00 0.00 H new ATOM 874 N GLN B 18 3.911 -3.241 -0.880 1.00 0.00 N ATOM 875 CA GLN B 18 3.271 -4.319 -0.145 1.00 0.00 C ATOM 876 C GLN B 18 3.342 -4.050 1.359 1.00 0.00 C ATOM 877 O GLN B 18 2.312 -3.972 2.028 1.00 0.00 O ATOM 878 CB GLN B 18 3.903 -5.669 -0.492 1.00 0.00 C ATOM 879 CG GLN B 18 3.263 -6.798 0.319 1.00 0.00 C ATOM 880 CD GLN B 18 4.322 -7.790 0.806 1.00 0.00 C ATOM 881 OE1 GLN B 18 4.578 -7.932 1.990 1.00 0.00 O ATOM 882 NE2 GLN B 18 4.918 -8.467 -0.171 1.00 0.00 N ATOM 0 H GLN B 18 4.670 -3.535 -1.494 1.00 0.00 H new ATOM 0 HA GLN B 18 2.222 -4.360 -0.437 1.00 0.00 H new ATOM 0 HB2 GLN B 18 3.783 -5.868 -1.557 1.00 0.00 H new ATOM 0 HB3 GLN B 18 4.974 -5.635 -0.293 1.00 0.00 H new ATOM 0 HG2 GLN B 18 2.730 -6.380 1.173 1.00 0.00 H new ATOM 0 HG3 GLN B 18 2.526 -7.318 -0.293 1.00 0.00 H new ATOM 0 HE21 GLN B 18 4.655 -8.299 -1.142 1.00 0.00 H new ATOM 0 HE22 GLN B 18 5.638 -9.155 0.051 1.00 0.00 H new ATOM 891 N GLU B 19 4.566 -3.919 1.849 1.00 0.00 N ATOM 892 CA GLU B 19 4.783 -3.662 3.262 1.00 0.00 C ATOM 893 C GLU B 19 3.973 -2.445 3.710 1.00 0.00 C ATOM 894 O GLU B 19 3.365 -2.459 4.780 1.00 0.00 O ATOM 895 CB GLU B 19 6.272 -3.470 3.561 1.00 0.00 C ATOM 896 CG GLU B 19 7.014 -4.808 3.534 1.00 0.00 C ATOM 897 CD GLU B 19 8.146 -4.827 4.564 1.00 0.00 C ATOM 898 OE1 GLU B 19 9.235 -4.299 4.297 1.00 0.00 O ATOM 899 OE2 GLU B 19 7.862 -5.417 5.675 1.00 0.00 O ATOM 0 H GLU B 19 5.418 -3.986 1.292 1.00 0.00 H new ATOM 0 HA GLU B 19 4.441 -4.529 3.827 1.00 0.00 H new ATOM 0 HB2 GLU B 19 6.709 -2.793 2.827 1.00 0.00 H new ATOM 0 HB3 GLU B 19 6.393 -3.003 4.538 1.00 0.00 H new ATOM 0 HG2 GLU B 19 6.316 -5.619 3.740 1.00 0.00 H new ATOM 0 HG3 GLU B 19 7.421 -4.983 2.538 1.00 0.00 H new ATOM 907 N GLN B 20 3.989 -1.419 2.871 1.00 0.00 N ATOM 908 CA GLN B 20 3.263 -0.196 3.168 1.00 0.00 C ATOM 909 C GLN B 20 1.761 -0.477 3.248 1.00 0.00 C ATOM 910 O GLN B 20 1.072 0.056 4.116 1.00 0.00 O ATOM 911 CB GLN B 20 3.563 0.886 2.129 1.00 0.00 C ATOM 912 CG GLN B 20 2.629 2.085 2.301 1.00 0.00 C ATOM 913 CD GLN B 20 3.262 3.358 1.739 1.00 0.00 C ATOM 914 OE1 GLN B 20 2.400 4.168 1.129 1.00 0.00 O flip ATOM 915 NE2 GLN B 20 4.454 3.592 1.851 1.00 0.00 N flip ATOM 0 H GLN B 20 4.494 -1.410 1.985 1.00 0.00 H new ATOM 0 HA GLN B 20 3.596 0.175 4.137 1.00 0.00 H new ATOM 0 HB2 GLN B 20 4.599 1.211 2.226 1.00 0.00 H new ATOM 0 HB3 GLN B 20 3.450 0.474 1.126 1.00 0.00 H new ATOM 0 HG2 GLN B 20 1.684 1.890 1.794 1.00 0.00 H new ATOM 0 HG3 GLN B 20 2.401 2.224 3.358 1.00 0.00 H new ATOM 0 HE21 GLN B 20 5.061 2.928 2.331 1.00 0.00 H new ATOM 0 HE22 GLN B 20 4.843 4.452 1.464 1.00 0.00 H new ATOM 924 N ASN B 21 1.298 -1.316 2.332 1.00 0.00 N ATOM 925 CA ASN B 21 -0.109 -1.674 2.289 1.00 0.00 C ATOM 926 C ASN B 21 -0.518 -2.282 3.633 1.00 0.00 C ATOM 927 O ASN B 21 -1.587 -1.975 4.158 1.00 0.00 O ATOM 928 CB ASN B 21 -0.380 -2.711 1.198 1.00 0.00 C ATOM 929 CG ASN B 21 -0.923 -2.046 -0.069 1.00 0.00 C ATOM 930 OD1 ASN B 21 -1.700 -2.616 -0.817 1.00 0.00 O ATOM 931 ND2 ASN B 21 -0.470 -0.812 -0.267 1.00 0.00 N ATOM 0 H ASN B 21 1.873 -1.758 1.614 1.00 0.00 H new ATOM 0 HA ASN B 21 -0.681 -0.770 2.077 1.00 0.00 H new ATOM 0 HB2 ASN B 21 0.540 -3.248 0.965 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -1.096 -3.448 1.562 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -0.772 -0.283 -1.085 1.00 0.00 H new ATOM 0 HD22 ASN B 21 0.179 -0.394 0.399 1.00 0.00 H new ATOM 938 N TYR B 22 0.354 -3.134 4.150 1.00 0.00 N ATOM 939 CA TYR B 22 0.098 -3.789 5.421 1.00 0.00 C ATOM 940 C TYR B 22 0.366 -2.839 6.591 1.00 0.00 C ATOM 941 O TYR B 22 -0.162 -3.031 7.684 1.00 0.00 O ATOM 942 CB TYR B 22 1.078 -4.961 5.497 1.00 0.00 C ATOM 943 CG TYR B 22 0.428 -6.292 5.881 1.00 0.00 C ATOM 944 CD1 TYR B 22 -0.488 -6.881 5.034 1.00 0.00 C ATOM 945 CD2 TYR B 22 0.758 -6.903 7.073 1.00 0.00 C ATOM 946 CE1 TYR B 22 -1.100 -8.133 5.394 1.00 0.00 C ATOM 947 CE2 TYR B 22 0.146 -8.156 7.433 1.00 0.00 C ATOM 948 CZ TYR B 22 -0.753 -8.709 6.577 1.00 0.00 C ATOM 949 OH TYR B 22 -1.331 -9.892 6.917 1.00 0.00 O ATOM 0 H TYR B 22 1.240 -3.386 3.711 1.00 0.00 H new ATOM 0 HA TYR B 22 -0.942 -4.109 5.485 1.00 0.00 H new ATOM 0 HB2 TYR B 22 1.569 -5.074 4.530 1.00 0.00 H new ATOM 0 HB3 TYR B 22 1.855 -4.725 6.224 1.00 0.00 H new ATOM 0 HD1 TYR B 22 -0.746 -6.403 4.101 1.00 0.00 H new ATOM 0 HD2 TYR B 22 1.475 -6.442 7.736 1.00 0.00 H new ATOM 0 HE1 TYR B 22 -1.818 -8.605 4.740 1.00 0.00 H new ATOM 0 HE2 TYR B 22 0.396 -8.645 8.363 1.00 0.00 H new ATOM 0 HH TYR B 22 -0.988 -10.186 7.787 1.00 0.00 H new ATOM 959 N HIS B 23 1.186 -1.835 6.320 1.00 0.00 N ATOM 960 CA HIS B 23 1.530 -0.855 7.336 1.00 0.00 C ATOM 961 C HIS B 23 0.357 0.106 7.540 1.00 0.00 C ATOM 962 O HIS B 23 0.017 0.444 8.674 1.00 0.00 O ATOM 963 CB HIS B 23 2.831 -0.132 6.976 1.00 0.00 C ATOM 964 CG HIS B 23 4.073 -0.967 7.180 1.00 0.00 C ATOM 965 ND1 HIS B 23 5.097 -1.028 6.250 1.00 0.00 N ATOM 966 CD2 HIS B 23 4.445 -1.773 8.216 1.00 0.00 C ATOM 967 CE1 HIS B 23 6.037 -1.838 6.716 1.00 0.00 C ATOM 968 NE2 HIS B 23 5.631 -2.298 7.934 1.00 0.00 N ATOM 0 H HIS B 23 1.622 -1.679 5.411 1.00 0.00 H new ATOM 0 HA HIS B 23 1.712 -1.359 8.285 1.00 0.00 H new ATOM 0 HB2 HIS B 23 2.784 0.182 5.933 1.00 0.00 H new ATOM 0 HB3 HIS B 23 2.911 0.773 7.578 1.00 0.00 H new ATOM 0 HD2 HIS B 23 3.872 -1.953 9.113 1.00 0.00 H new ATOM 0 HE1 HIS B 23 6.962 -2.090 6.219 1.00 0.00 H new ATOM 0 HE2 HIS B 23 6.153 -2.940 8.530 1.00 0.00 H new ATOM 976 N LEU B 24 -0.230 0.518 6.427 1.00 0.00 N ATOM 977 CA LEU B 24 -1.359 1.432 6.470 1.00 0.00 C ATOM 978 C LEU B 24 -2.635 0.646 6.775 1.00 0.00 C ATOM 979 O LEU B 24 -3.576 1.185 7.356 1.00 0.00 O ATOM 980 CB LEU B 24 -1.435 2.251 5.180 1.00 0.00 C ATOM 981 CG LEU B 24 -0.350 3.315 4.996 1.00 0.00 C ATOM 982 CD1 LEU B 24 0.233 3.265 3.584 1.00 0.00 C ATOM 983 CD2 LEU B 24 -0.880 4.706 5.349 1.00 0.00 C ATOM 0 H LEU B 24 0.055 0.236 5.489 1.00 0.00 H new ATOM 0 HA LEU B 24 -1.231 2.157 7.274 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -1.390 1.565 4.334 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -2.408 2.742 5.141 1.00 0.00 H new ATOM 0 HG LEU B 24 0.463 3.096 5.688 1.00 0.00 H new ATOM 0 HD11 LEU B 24 1.001 4.031 3.480 1.00 0.00 H new ATOM 0 HD12 LEU B 24 0.673 2.284 3.406 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -0.559 3.445 2.857 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -0.089 5.443 5.210 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -1.722 4.950 4.701 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.207 4.718 6.389 1.00 0.00 H new ATOM 995 N GLU B 25 -2.626 -0.615 6.370 1.00 0.00 N ATOM 996 CA GLU B 25 -3.772 -1.481 6.593 1.00 0.00 C ATOM 997 C GLU B 25 -3.921 -1.791 8.083 1.00 0.00 C ATOM 998 O GLU B 25 -5.021 -1.718 8.630 1.00 0.00 O ATOM 999 CB GLU B 25 -3.654 -2.768 5.774 1.00 0.00 C ATOM 1000 CG GLU B 25 -4.693 -3.798 6.219 1.00 0.00 C ATOM 1001 CD GLU B 25 -4.536 -5.108 5.443 1.00 0.00 C ATOM 1002 OE1 GLU B 25 -3.935 -5.116 4.358 1.00 0.00 O ATOM 1003 OE2 GLU B 25 -5.063 -6.142 6.004 1.00 0.00 O ATOM 0 H GLU B 25 -1.844 -1.058 5.889 1.00 0.00 H new ATOM 0 HA GLU B 25 -4.668 -0.958 6.260 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.789 -2.544 4.716 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -2.653 -3.184 5.886 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -4.586 -3.989 7.287 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -5.695 -3.398 6.065 1.00 0.00 H new ATOM 1011 N ASN B 26 -2.799 -2.131 8.700 1.00 0.00 N ATOM 1012 CA ASN B 26 -2.790 -2.453 10.116 1.00 0.00 C ATOM 1013 C ASN B 26 -2.811 -1.157 10.930 1.00 0.00 C ATOM 1014 O ASN B 26 -3.355 -1.120 12.032 1.00 0.00 O ATOM 1015 CB ASN B 26 -1.529 -3.230 10.498 1.00 0.00 C ATOM 1016 CG ASN B 26 -1.571 -4.653 9.935 1.00 0.00 C ATOM 1017 OD1 ASN B 26 -2.531 -5.387 10.104 1.00 0.00 O ATOM 1018 ND2 ASN B 26 -0.479 -5.000 9.259 1.00 0.00 N ATOM 0 H ASN B 26 -1.889 -2.190 8.244 1.00 0.00 H new ATOM 0 HA ASN B 26 -3.667 -3.064 10.327 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -0.649 -2.711 10.119 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -1.435 -3.267 11.583 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -0.410 -5.929 8.845 1.00 0.00 H new ATOM 0 HD22 ASN B 26 0.289 -4.337 9.155 1.00 0.00 H new ATOM 1025 N GLU B 27 -2.210 -0.125 10.353 1.00 0.00 N ATOM 1026 CA GLU B 27 -2.153 1.169 11.011 1.00 0.00 C ATOM 1027 C GLU B 27 -3.540 1.813 11.039 1.00 0.00 C ATOM 1028 O GLU B 27 -3.994 2.272 12.086 1.00 0.00 O ATOM 1029 CB GLU B 27 -1.136 2.086 10.328 1.00 0.00 C ATOM 1030 CG GLU B 27 -1.210 3.505 10.894 1.00 0.00 C ATOM 1031 CD GLU B 27 0.188 4.044 11.208 1.00 0.00 C ATOM 1032 OE1 GLU B 27 0.639 5.007 10.570 1.00 0.00 O ATOM 1033 OE2 GLU B 27 0.811 3.425 12.153 1.00 0.00 O ATOM 0 H GLU B 27 -1.759 -0.159 9.439 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.824 1.018 12.039 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -0.131 1.687 10.467 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -1.325 2.109 9.255 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -1.704 4.161 10.177 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -1.817 3.508 11.800 1.00 0.00 H new ATOM 1041 N VAL B 28 -4.174 1.826 9.876 1.00 0.00 N ATOM 1042 CA VAL B 28 -5.502 2.405 9.754 1.00 0.00 C ATOM 1043 C VAL B 28 -6.492 1.579 10.577 1.00 0.00 C ATOM 1044 O VAL B 28 -7.242 2.126 11.384 1.00 0.00 O ATOM 1045 CB VAL B 28 -5.892 2.511 8.279 1.00 0.00 C ATOM 1046 CG1 VAL B 28 -6.351 1.158 7.734 1.00 0.00 C ATOM 1047 CG2 VAL B 28 -6.969 3.579 8.072 1.00 0.00 C ATOM 0 H VAL B 28 -3.793 1.445 9.010 1.00 0.00 H new ATOM 0 HA VAL B 28 -5.515 3.419 10.154 1.00 0.00 H new ATOM 0 HB VAL B 28 -5.007 2.814 7.720 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -6.622 1.262 6.683 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -5.542 0.434 7.830 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -7.216 0.812 8.300 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -7.228 3.634 7.015 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -7.856 3.318 8.650 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -6.591 4.546 8.404 1.00 0.00 H new ATOM 1057 N ALA B 29 -6.464 0.275 10.343 1.00 0.00 N ATOM 1058 CA ALA B 29 -7.349 -0.632 11.053 1.00 0.00 C ATOM 1059 C ALA B 29 -7.228 -0.383 12.558 1.00 0.00 C ATOM 1060 O ALA B 29 -8.236 -0.270 13.254 1.00 0.00 O ATOM 1061 CB ALA B 29 -7.014 -2.075 10.672 1.00 0.00 C ATOM 0 H ALA B 29 -5.842 -0.175 9.671 1.00 0.00 H new ATOM 0 HA ALA B 29 -8.387 -0.453 10.772 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -7.678 -2.756 11.205 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -7.144 -2.207 9.598 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.980 -2.292 10.941 1.00 0.00 H new ATOM 1067 N ARG B 30 -5.988 -0.306 13.014 1.00 0.00 N ATOM 1068 CA ARG B 30 -5.722 -0.073 14.423 1.00 0.00 C ATOM 1069 C ARG B 30 -6.121 1.353 14.810 1.00 0.00 C ATOM 1070 O ARG B 30 -6.463 1.615 15.962 1.00 0.00 O ATOM 1071 CB ARG B 30 -4.241 -0.286 14.748 1.00 0.00 C ATOM 1072 CG ARG B 30 -3.965 -0.044 16.232 1.00 0.00 C ATOM 1073 CD ARG B 30 -2.477 -0.209 16.547 1.00 0.00 C ATOM 1074 NE ARG B 30 -2.262 -0.170 18.012 1.00 0.00 N ATOM 1075 CZ ARG B 30 -2.169 0.967 18.733 1.00 0.00 C ATOM 1076 NH1 ARG B 30 -2.273 2.171 18.131 1.00 0.00 N ATOM 1077 NH2 ARG B 30 -1.976 0.885 20.036 1.00 0.00 N ATOM 0 H ARG B 30 -5.155 -0.401 12.433 1.00 0.00 H new ATOM 0 HA ARG B 30 -6.314 -0.788 14.994 1.00 0.00 H new ATOM 0 HB2 ARG B 30 -3.949 -1.302 14.481 1.00 0.00 H new ATOM 0 HB3 ARG B 30 -3.632 0.389 14.146 1.00 0.00 H new ATOM 0 HG2 ARG B 30 -4.289 0.960 16.507 1.00 0.00 H new ATOM 0 HG3 ARG B 30 -4.547 -0.743 16.833 1.00 0.00 H new ATOM 0 HD2 ARG B 30 -2.114 -1.154 16.143 1.00 0.00 H new ATOM 0 HD3 ARG B 30 -1.905 0.584 16.066 1.00 0.00 H new ATOM 0 HE ARG B 30 -2.179 -1.058 18.507 1.00 0.00 H new ATOM 0 HH11 ARG B 30 -2.423 2.226 17.124 1.00 0.00 H new ATOM 0 HH12 ARG B 30 -2.202 3.025 18.684 1.00 0.00 H new ATOM 0 HH21 ARG B 30 -1.899 -0.028 20.484 1.00 0.00 H new ATOM 0 HH22 ARG B 30 -1.903 1.735 20.595 1.00 0.00 H new ATOM 1090 N LEU B 31 -6.064 2.237 13.825 1.00 0.00 N ATOM 1091 CA LEU B 31 -6.417 3.629 14.048 1.00 0.00 C ATOM 1092 C LEU B 31 -7.907 3.727 14.379 1.00 0.00 C ATOM 1093 O LEU B 31 -8.277 4.155 15.472 1.00 0.00 O ATOM 1094 CB LEU B 31 -5.994 4.486 12.853 1.00 0.00 C ATOM 1095 CG LEU B 31 -5.841 5.985 13.123 1.00 0.00 C ATOM 1096 CD1 LEU B 31 -5.782 6.268 14.625 1.00 0.00 C ATOM 1097 CD2 LEU B 31 -4.629 6.553 12.383 1.00 0.00 C ATOM 0 H LEU B 31 -5.779 2.017 12.871 1.00 0.00 H new ATOM 0 HA LEU B 31 -5.874 4.027 14.905 1.00 0.00 H new ATOM 0 HB2 LEU B 31 -5.044 4.106 12.477 1.00 0.00 H new ATOM 0 HB3 LEU B 31 -6.728 4.353 12.058 1.00 0.00 H new ATOM 0 HG LEU B 31 -6.723 6.495 12.735 1.00 0.00 H new ATOM 0 HD11 LEU B 31 -5.673 7.340 14.789 1.00 0.00 H new ATOM 0 HD12 LEU B 31 -6.701 5.920 15.097 1.00 0.00 H new ATOM 0 HD13 LEU B 31 -4.930 5.746 15.060 1.00 0.00 H new ATOM 0 HD21 LEU B 31 -4.542 7.619 12.591 1.00 0.00 H new ATOM 0 HD22 LEU B 31 -3.726 6.043 12.719 1.00 0.00 H new ATOM 0 HD23 LEU B 31 -4.754 6.402 11.311 1.00 0.00 H new ATOM 1109 N LYS B 32 -8.722 3.325 13.416 1.00 0.00 N ATOM 1110 CA LYS B 32 -10.164 3.362 13.592 1.00 0.00 C ATOM 1111 C LYS B 32 -10.533 2.647 14.893 1.00 0.00 C ATOM 1112 O LYS B 32 -11.411 3.099 15.627 1.00 0.00 O ATOM 1113 CB LYS B 32 -10.869 2.796 12.358 1.00 0.00 C ATOM 1114 CG LYS B 32 -10.366 1.387 12.036 1.00 0.00 C ATOM 1115 CD LYS B 32 -10.533 1.071 10.549 1.00 0.00 C ATOM 1116 CE LYS B 32 -9.651 1.981 9.692 1.00 0.00 C ATOM 1117 NZ LYS B 32 -10.414 2.505 8.538 1.00 0.00 N ATOM 0 H LYS B 32 -8.412 2.972 12.511 1.00 0.00 H new ATOM 0 HA LYS B 32 -10.510 4.391 13.684 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -11.945 2.771 12.529 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -10.697 3.451 11.504 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -9.316 1.300 12.314 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -10.915 0.657 12.630 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -10.274 0.029 10.364 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -11.577 1.196 10.262 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -9.278 2.809 10.295 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -8.781 1.427 9.339 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -9.776 3.037 7.913 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -10.834 1.713 8.011 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -11.169 3.134 8.878 1.00 0.00 H new ATOM 1130 N LYS B 33 -9.845 1.542 15.139 1.00 0.00 N ATOM 1131 CA LYS B 33 -10.090 0.759 16.339 1.00 0.00 C ATOM 1132 C LYS B 33 -9.791 1.616 17.571 1.00 0.00 C ATOM 1133 O LYS B 33 -10.685 1.896 18.368 1.00 0.00 O ATOM 1134 CB LYS B 33 -9.300 -0.551 16.295 1.00 0.00 C ATOM 1135 CG LYS B 33 -9.664 -1.451 17.478 1.00 0.00 C ATOM 1136 CD LYS B 33 -8.527 -2.422 17.797 1.00 0.00 C ATOM 1137 CE LYS B 33 -7.721 -1.945 19.007 1.00 0.00 C ATOM 1138 NZ LYS B 33 -7.414 -3.080 19.907 1.00 0.00 N ATOM 0 H LYS B 33 -9.118 1.170 14.528 1.00 0.00 H new ATOM 0 HA LYS B 33 -11.139 0.470 16.398 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -9.505 -1.072 15.360 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.232 -0.336 16.312 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -9.880 -0.838 18.353 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -10.571 -2.010 17.249 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -8.935 -3.413 17.995 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -7.870 -2.515 16.932 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -6.795 -1.478 18.673 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -8.284 -1.185 19.549 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -6.867 -2.738 20.723 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -8.301 -3.508 20.240 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -6.858 -3.792 19.391 1.00 0.00 H new ATOM 1151 N LEU B 34 -8.530 2.007 17.688 1.00 0.00 N ATOM 1152 CA LEU B 34 -8.103 2.826 18.810 1.00 0.00 C ATOM 1153 C LEU B 34 -9.039 4.028 18.944 1.00 0.00 C ATOM 1154 O LEU B 34 -9.559 4.297 20.026 1.00 0.00 O ATOM 1155 CB LEU B 34 -6.628 3.208 18.663 1.00 0.00 C ATOM 1156 CG LEU B 34 -5.658 2.515 19.622 1.00 0.00 C ATOM 1157 CD1 LEU B 34 -5.784 3.087 21.035 1.00 0.00 C ATOM 1158 CD2 LEU B 34 -5.851 0.998 19.597 1.00 0.00 C ATOM 0 H LEU B 34 -7.791 1.772 17.025 1.00 0.00 H new ATOM 0 HA LEU B 34 -8.172 2.263 19.741 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.316 2.990 17.642 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.537 4.285 18.801 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.641 2.714 19.283 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.084 2.578 21.697 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -5.557 4.153 21.018 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.801 2.939 21.398 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.149 0.530 20.288 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -6.871 0.756 19.897 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.671 0.625 18.589 1.00 0.00 H new ATOM 1170 N VAL B 35 -9.225 4.721 17.830 1.00 0.00 N ATOM 1171 CA VAL B 35 -10.090 5.888 17.808 1.00 0.00 C ATOM 1172 C VAL B 35 -11.419 5.545 18.485 1.00 0.00 C ATOM 1173 O VAL B 35 -11.679 5.978 19.607 1.00 0.00 O ATOM 1174 CB VAL B 35 -10.261 6.388 16.373 1.00 0.00 C ATOM 1175 CG1 VAL B 35 -11.508 7.264 16.243 1.00 0.00 C ATOM 1176 CG2 VAL B 35 -9.013 7.136 15.901 1.00 0.00 C ATOM 0 H VAL B 35 -8.791 4.496 16.935 1.00 0.00 H new ATOM 0 HA VAL B 35 -9.640 6.707 18.370 1.00 0.00 H new ATOM 0 HB VAL B 35 -10.394 5.519 15.729 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -11.606 7.606 15.213 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -12.390 6.685 16.519 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -11.418 8.125 16.905 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -9.161 7.481 14.878 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -8.835 7.993 16.551 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -8.153 6.468 15.938 1.00 0.00 H new ATOM 1186 N GLY B 36 -12.225 4.770 17.774 1.00 0.00 N ATOM 1187 CA GLY B 36 -13.521 4.365 18.291 1.00 0.00 C ATOM 1188 C GLY B 36 -14.073 5.406 19.265 1.00 0.00 C ATOM 1189 O GLY B 36 -14.580 5.059 20.332 1.00 0.00 O ATOM 0 H GLY B 36 -12.006 4.412 16.844 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -14.219 4.228 17.465 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -13.431 3.403 18.795 1.00 0.00 H new ATOM 1193 N GLU B 37 -13.957 6.665 18.866 1.00 0.00 N ATOM 1194 CA GLU B 37 -14.439 7.760 19.690 1.00 0.00 C ATOM 1195 C GLU B 37 -15.616 8.459 19.008 1.00 0.00 C ATOM 1196 O GLU B 37 -16.137 7.971 18.007 1.00 0.00 O ATOM 1197 CB GLU B 37 -13.314 8.752 19.996 1.00 0.00 C ATOM 1198 CG GLU B 37 -12.709 8.485 21.376 1.00 0.00 C ATOM 1199 CD GLU B 37 -13.582 9.083 22.481 1.00 0.00 C ATOM 1200 OE1 GLU B 37 -14.730 8.649 22.667 1.00 0.00 O ATOM 1201 OE2 GLU B 37 -13.030 10.030 23.161 1.00 0.00 O ATOM 0 H GLU B 37 -13.536 6.950 17.982 1.00 0.00 H new ATOM 0 HA GLU B 37 -14.786 7.350 20.639 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -12.539 8.675 19.234 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -13.701 9.770 19.955 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -12.606 7.411 21.530 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -11.708 8.912 21.427 1.00 0.00 H new ATOM 1209 N ARG B 38 -16.000 9.593 19.576 1.00 0.00 N ATOM 1210 CA ARG B 38 -17.106 10.364 19.036 1.00 0.00 C ATOM 1211 C ARG B 38 -16.711 10.993 17.698 1.00 0.00 C ATOM 1212 O ARG B 38 -16.275 10.294 16.784 1.00 0.00 O ATOM 1213 CB ARG B 38 -17.532 11.470 20.005 1.00 0.00 C ATOM 1214 CG ARG B 38 -19.038 11.722 19.920 1.00 0.00 C ATOM 1215 CD ARG B 38 -19.391 12.517 18.661 1.00 0.00 C ATOM 1216 NE ARG B 38 -20.831 12.363 18.353 1.00 0.00 N ATOM 1217 CZ ARG B 38 -21.802 13.149 18.864 1.00 0.00 C ATOM 1218 NH1 ARG B 38 -21.496 14.151 19.714 1.00 0.00 N ATOM 1219 NH2 ARG B 38 -23.056 12.922 18.520 1.00 0.00 N ATOM 0 H ARG B 38 -15.564 9.996 20.405 1.00 0.00 H new ATOM 0 HA ARG B 38 -17.944 9.683 18.889 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -17.263 11.190 21.023 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -16.992 12.388 19.774 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -19.570 10.771 19.915 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -19.369 12.267 20.804 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -19.152 13.570 18.807 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -18.791 12.168 17.820 1.00 0.00 H new ATOM 0 HE ARG B 38 -21.106 11.616 17.715 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -20.524 14.319 19.975 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -22.236 14.740 20.095 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -23.279 12.162 17.877 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -23.802 13.507 18.897 1.00 0.00 H new TER 1232 ARG B 38