USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 559 hydrogens (19 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 9 M3L H2 : B 9 M3L N : B 8 ARG C :(H bumps) USER MOD Set 1.1: B 5 GLN : amide:sc= 0.144 K(o=0.22,f=-2.8!) USER MOD Set 1.2: B 6 THR OG1 : rot 80:sc= 0.0751 USER MOD Single : A 1 GLY N :NH3+ 151:sc= 0.732 (180deg=0.114) USER MOD Single : A 7 LYS NZ :NH3+ -116:sc= 0.989 (180deg=-1.88!) USER MOD Single : A 15 ASN : amide:sc= -0.0294 K(o=-0.029,f=-1.8!) USER MOD Single : A 17 LYS NZ :NH3+ -174:sc= 0.503 (180deg=0.476) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0617 USER MOD Single : A 23 LYS NZ :NH3+ 147:sc= 0.477 (180deg=-0.298) USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0648) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0307 USER MOD Single : A 32 ASN : amide:sc= -5.3! C(o=-5.3!,f=-5.4!) USER MOD Single : A 33 THR OG1 : rot 126:sc= 1.34 USER MOD Single : A 39 ASN : amide:sc= -0.607 K(o=-0.61,f=-1.6) USER MOD Single : A 42 CYS SG : rot 49:sc= -1.17 USER MOD Single : A 51 ASN : amide:sc= 0.221 X(o=0.22,f=-0.015) USER MOD Single : A 52 SER OG : rot 71:sc= 1.13 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.274 F(o=-1.4,f=-0.27) USER MOD Single : A 54 LYS NZ :NH3+ -133:sc= 0.209 (180deg=-0.0475) USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 THR OG1 : rot 120:sc= 0.288 USER MOD Single : B 4 LYS NZ :NH3+ -171:sc= -0.0109 (180deg=-0.126) USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.197 -0.013 0.176 1.00 0.00 N ATOM 2 CA GLY A 1 2.473 1.433 0.370 1.00 0.00 C ATOM 3 C GLY A 1 3.920 1.798 0.067 1.00 0.00 C ATOM 4 O GLY A 1 4.481 2.711 0.679 1.00 0.00 O ATOM 0 H1 GLY A 1 1.432 -0.309 0.815 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.910 -0.183 -0.809 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.055 -0.561 0.386 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.813 2.015 -0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.240 1.709 1.398 1.00 0.00 H new ATOM 10 N GLU A 2 4.537 1.054 -0.868 1.00 0.00 N ATOM 11 CA GLU A 2 5.912 1.305 -1.328 1.00 0.00 C ATOM 12 C GLU A 2 5.846 2.265 -2.517 1.00 0.00 C ATOM 13 O GLU A 2 5.049 2.048 -3.443 1.00 0.00 O ATOM 14 CB GLU A 2 6.629 -0.023 -1.746 1.00 0.00 C ATOM 15 CG GLU A 2 6.697 -1.130 -0.660 1.00 0.00 C ATOM 16 CD GLU A 2 5.354 -1.845 -0.408 1.00 0.00 C ATOM 17 OE1 GLU A 2 4.931 -2.646 -1.266 1.00 0.00 O ATOM 18 OE2 GLU A 2 4.679 -1.567 0.609 1.00 0.00 O ATOM 0 H GLU A 2 4.093 0.259 -1.327 1.00 0.00 H new ATOM 0 HA GLU A 2 6.491 1.740 -0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.118 -0.429 -2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.646 0.218 -2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.441 -1.870 -0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.042 -0.687 0.274 1.00 0.00 H new ATOM 25 N PHE A 3 6.667 3.320 -2.491 1.00 0.00 N ATOM 26 CA PHE A 3 6.700 4.342 -3.554 1.00 0.00 C ATOM 27 C PHE A 3 8.129 4.472 -4.102 1.00 0.00 C ATOM 28 O PHE A 3 9.095 4.127 -3.418 1.00 0.00 O ATOM 29 CB PHE A 3 6.171 5.707 -3.015 1.00 0.00 C ATOM 30 CG PHE A 3 6.000 6.773 -4.100 1.00 0.00 C ATOM 31 CD1 PHE A 3 4.944 6.695 -5.005 1.00 0.00 C ATOM 32 CD2 PHE A 3 6.907 7.823 -4.236 1.00 0.00 C ATOM 33 CE1 PHE A 3 4.797 7.633 -6.008 1.00 0.00 C ATOM 34 CE2 PHE A 3 6.759 8.758 -5.237 1.00 0.00 C ATOM 35 CZ PHE A 3 5.706 8.664 -6.125 1.00 0.00 C ATOM 0 H PHE A 3 7.329 3.494 -1.735 1.00 0.00 H new ATOM 0 HA PHE A 3 6.046 4.035 -4.370 1.00 0.00 H new ATOM 0 HB2 PHE A 3 5.212 5.546 -2.522 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.860 6.080 -2.257 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.230 5.889 -4.921 1.00 0.00 H new ATOM 0 HD2 PHE A 3 7.736 7.904 -3.548 1.00 0.00 H new ATOM 0 HE1 PHE A 3 3.971 7.559 -6.700 1.00 0.00 H new ATOM 0 HE2 PHE A 3 7.469 9.567 -5.327 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.594 9.397 -6.910 1.00 0.00 H new ATOM 45 N VAL A 4 8.249 4.959 -5.346 1.00 0.00 N ATOM 46 CA VAL A 4 9.546 5.143 -6.010 1.00 0.00 C ATOM 47 C VAL A 4 10.372 6.288 -5.377 1.00 0.00 C ATOM 48 O VAL A 4 9.893 7.417 -5.222 1.00 0.00 O ATOM 49 CB VAL A 4 9.384 5.373 -7.563 1.00 0.00 C ATOM 50 CG1 VAL A 4 8.400 6.525 -7.892 1.00 0.00 C ATOM 51 CG2 VAL A 4 10.759 5.591 -8.237 1.00 0.00 C ATOM 0 H VAL A 4 7.451 5.236 -5.918 1.00 0.00 H new ATOM 0 HA VAL A 4 10.098 4.215 -5.860 1.00 0.00 H new ATOM 0 HB VAL A 4 8.945 4.465 -7.976 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.325 6.642 -8.973 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.417 6.292 -7.483 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.766 7.453 -7.452 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.619 5.747 -9.307 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.242 6.466 -7.803 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.386 4.714 -8.077 1.00 0.00 H new ATOM 61 N VAL A 5 11.621 5.972 -5.001 1.00 0.00 N ATOM 62 CA VAL A 5 12.607 6.972 -4.574 1.00 0.00 C ATOM 63 C VAL A 5 13.563 7.281 -5.748 1.00 0.00 C ATOM 64 O VAL A 5 14.197 6.383 -6.301 1.00 0.00 O ATOM 65 CB VAL A 5 13.393 6.542 -3.270 1.00 0.00 C ATOM 66 CG1 VAL A 5 13.893 5.082 -3.326 1.00 0.00 C ATOM 67 CG2 VAL A 5 14.557 7.522 -2.961 1.00 0.00 C ATOM 0 H VAL A 5 11.974 5.015 -4.985 1.00 0.00 H new ATOM 0 HA VAL A 5 12.071 7.881 -4.301 1.00 0.00 H new ATOM 0 HB VAL A 5 12.678 6.595 -2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.425 4.844 -2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 5 13.042 4.410 -3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.566 4.960 -4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.076 7.198 -2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.255 7.533 -3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 5 14.158 8.525 -2.809 1.00 0.00 H new ATOM 77 N GLU A 6 13.573 8.560 -6.146 1.00 0.00 N ATOM 78 CA GLU A 6 14.480 9.142 -7.156 1.00 0.00 C ATOM 79 C GLU A 6 15.964 8.852 -6.828 1.00 0.00 C ATOM 80 O GLU A 6 16.689 8.245 -7.632 1.00 0.00 O ATOM 81 CB GLU A 6 14.233 10.681 -7.186 1.00 0.00 C ATOM 82 CG GLU A 6 15.026 11.477 -8.240 1.00 0.00 C ATOM 83 CD GLU A 6 14.816 13.002 -8.126 1.00 0.00 C ATOM 84 OE1 GLU A 6 13.853 13.526 -8.712 1.00 0.00 O ATOM 85 OE2 GLU A 6 15.610 13.679 -7.433 1.00 0.00 O ATOM 0 H GLU A 6 12.926 9.248 -5.761 1.00 0.00 H new ATOM 0 HA GLU A 6 14.273 8.692 -8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.170 10.854 -7.354 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.470 11.085 -6.202 1.00 0.00 H new ATOM 0 HG2 GLU A 6 16.087 11.253 -8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 6 14.729 11.148 -9.236 1.00 0.00 H new ATOM 92 N LYS A 7 16.386 9.296 -5.626 1.00 0.00 N ATOM 93 CA LYS A 7 17.790 9.218 -5.166 1.00 0.00 C ATOM 94 C LYS A 7 17.868 9.393 -3.636 1.00 0.00 C ATOM 95 O LYS A 7 16.923 9.884 -3.010 1.00 0.00 O ATOM 96 CB LYS A 7 18.661 10.312 -5.865 1.00 0.00 C ATOM 97 CG LYS A 7 18.171 11.768 -5.644 1.00 0.00 C ATOM 98 CD LYS A 7 19.156 12.840 -6.191 1.00 0.00 C ATOM 99 CE LYS A 7 19.379 12.755 -7.713 1.00 0.00 C ATOM 100 NZ LYS A 7 18.135 12.988 -8.487 1.00 0.00 N ATOM 0 H LYS A 7 15.759 9.721 -4.943 1.00 0.00 H new ATOM 0 HA LYS A 7 18.178 8.235 -5.432 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.685 10.229 -5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.685 10.109 -6.936 1.00 0.00 H new ATOM 0 HG2 LYS A 7 17.202 11.895 -6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.019 11.935 -4.578 1.00 0.00 H new ATOM 0 HD2 LYS A 7 18.775 13.831 -5.943 1.00 0.00 H new ATOM 0 HD3 LYS A 7 20.115 12.731 -5.685 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.129 13.489 -8.008 1.00 0.00 H new ATOM 0 HE3 LYS A 7 19.779 11.773 -7.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.886 12.125 -9.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.362 13.232 -7.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.284 13.770 -9.156 1.00 0.00 H new ATOM 114 N VAL A 8 19.001 8.977 -3.049 1.00 0.00 N ATOM 115 CA VAL A 8 19.345 9.294 -1.650 1.00 0.00 C ATOM 116 C VAL A 8 20.034 10.669 -1.614 1.00 0.00 C ATOM 117 O VAL A 8 20.956 10.927 -2.390 1.00 0.00 O ATOM 118 CB VAL A 8 20.285 8.206 -1.007 1.00 0.00 C ATOM 119 CG1 VAL A 8 20.731 8.616 0.424 1.00 0.00 C ATOM 120 CG2 VAL A 8 19.605 6.806 -1.013 1.00 0.00 C ATOM 0 H VAL A 8 19.704 8.413 -3.527 1.00 0.00 H new ATOM 0 HA VAL A 8 18.426 9.307 -1.065 1.00 0.00 H new ATOM 0 HB VAL A 8 21.184 8.140 -1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 8 21.378 7.843 0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 8 21.275 9.560 0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 8 19.853 8.733 1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.276 6.074 -0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.679 6.849 -0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.384 6.513 -2.039 1.00 0.00 H new ATOM 130 N LEU A 9 19.564 11.543 -0.716 1.00 0.00 N ATOM 131 CA LEU A 9 20.065 12.923 -0.571 1.00 0.00 C ATOM 132 C LEU A 9 21.110 13.023 0.557 1.00 0.00 C ATOM 133 O LEU A 9 22.111 13.744 0.423 1.00 0.00 O ATOM 134 CB LEU A 9 18.883 13.896 -0.291 1.00 0.00 C ATOM 135 CG LEU A 9 17.786 13.972 -1.404 1.00 0.00 C ATOM 136 CD1 LEU A 9 16.638 14.932 -1.012 1.00 0.00 C ATOM 137 CD2 LEU A 9 18.397 14.357 -2.769 1.00 0.00 C ATOM 0 H LEU A 9 18.817 11.313 -0.061 1.00 0.00 H new ATOM 0 HA LEU A 9 20.549 13.205 -1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 9 18.406 13.599 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 9 19.289 14.896 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 9 17.356 12.975 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 9 15.896 14.957 -1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.169 14.582 -0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.038 15.934 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 9 17.609 14.401 -3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 9 18.879 15.332 -2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 9 19.135 13.610 -3.061 1.00 0.00 H new ATOM 149 N ASP A 10 20.878 12.284 1.666 1.00 0.00 N ATOM 150 CA ASP A 10 21.671 12.447 2.906 1.00 0.00 C ATOM 151 C ASP A 10 21.631 11.162 3.766 1.00 0.00 C ATOM 152 O ASP A 10 20.801 10.284 3.530 1.00 0.00 O ATOM 153 CB ASP A 10 21.145 13.693 3.676 1.00 0.00 C ATOM 154 CG ASP A 10 21.994 14.128 4.882 1.00 0.00 C ATOM 155 OD1 ASP A 10 23.238 14.121 4.789 1.00 0.00 O ATOM 156 OD2 ASP A 10 21.416 14.524 5.908 1.00 0.00 O ATOM 0 H ASP A 10 20.151 11.571 1.728 1.00 0.00 H new ATOM 0 HA ASP A 10 22.720 12.610 2.657 1.00 0.00 H new ATOM 0 HB2 ASP A 10 21.079 14.529 2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 10 20.132 13.485 4.022 1.00 0.00 H new ATOM 161 N ARG A 11 22.559 11.059 4.741 1.00 0.00 N ATOM 162 CA ARG A 11 22.762 9.844 5.567 1.00 0.00 C ATOM 163 C ARG A 11 22.911 10.220 7.059 1.00 0.00 C ATOM 164 O ARG A 11 23.504 11.256 7.377 1.00 0.00 O ATOM 165 CB ARG A 11 24.040 9.117 5.065 1.00 0.00 C ATOM 166 CG ARG A 11 24.256 7.690 5.601 1.00 0.00 C ATOM 167 CD ARG A 11 25.541 7.029 5.045 1.00 0.00 C ATOM 168 NE ARG A 11 25.542 5.562 5.236 1.00 0.00 N ATOM 169 CZ ARG A 11 26.621 4.789 5.425 1.00 0.00 C ATOM 170 NH1 ARG A 11 27.841 5.312 5.480 1.00 0.00 N ATOM 171 NH2 ARG A 11 26.472 3.479 5.551 1.00 0.00 N ATOM 0 H ARG A 11 23.194 11.820 4.981 1.00 0.00 H new ATOM 0 HA ARG A 11 21.897 9.187 5.473 1.00 0.00 H new ATOM 0 HB2 ARG A 11 24.006 9.074 3.976 1.00 0.00 H new ATOM 0 HB3 ARG A 11 24.907 9.720 5.334 1.00 0.00 H new ATOM 0 HG2 ARG A 11 24.310 7.720 6.689 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.395 7.075 5.341 1.00 0.00 H new ATOM 0 HD2 ARG A 11 25.634 7.255 3.983 1.00 0.00 H new ATOM 0 HD3 ARG A 11 26.412 7.459 5.540 1.00 0.00 H new ATOM 0 HE ARG A 11 24.636 5.094 5.223 1.00 0.00 H new ATOM 0 HH11 ARG A 11 27.969 6.319 5.378 1.00 0.00 H new ATOM 0 HH12 ARG A 11 28.649 4.707 5.625 1.00 0.00 H new ATOM 0 HH21 ARG A 11 25.541 3.065 5.504 1.00 0.00 H new ATOM 0 HH22 ARG A 11 27.288 2.884 5.695 1.00 0.00 H new ATOM 185 N ARG A 12 22.382 9.363 7.962 1.00 0.00 N ATOM 186 CA ARG A 12 22.500 9.536 9.434 1.00 0.00 C ATOM 187 C ARG A 12 22.738 8.168 10.103 1.00 0.00 C ATOM 188 O ARG A 12 22.501 7.125 9.490 1.00 0.00 O ATOM 189 CB ARG A 12 21.212 10.185 10.037 1.00 0.00 C ATOM 190 CG ARG A 12 19.982 9.248 10.072 1.00 0.00 C ATOM 191 CD ARG A 12 18.699 9.912 10.609 1.00 0.00 C ATOM 192 NE ARG A 12 18.780 10.283 12.029 1.00 0.00 N ATOM 193 CZ ARG A 12 17.732 10.383 12.864 1.00 0.00 C ATOM 194 NH1 ARG A 12 16.500 10.060 12.473 1.00 0.00 N ATOM 195 NH2 ARG A 12 17.928 10.782 14.104 1.00 0.00 N ATOM 0 H ARG A 12 21.860 8.529 7.693 1.00 0.00 H new ATOM 0 HA ARG A 12 23.344 10.199 9.626 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.429 10.518 11.052 1.00 0.00 H new ATOM 0 HB3 ARG A 12 20.961 11.073 9.456 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.792 8.878 9.065 1.00 0.00 H new ATOM 0 HG3 ARG A 12 20.216 8.382 10.691 1.00 0.00 H new ATOM 0 HD2 ARG A 12 18.488 10.805 10.020 1.00 0.00 H new ATOM 0 HD3 ARG A 12 17.860 9.231 10.467 1.00 0.00 H new ATOM 0 HE ARG A 12 19.705 10.480 12.411 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.337 9.729 11.522 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.720 10.144 13.125 1.00 0.00 H new ATOM 0 HH21 ARG A 12 18.869 11.012 14.423 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.139 10.861 14.745 1.00 0.00 H new ATOM 209 N VAL A 13 23.199 8.189 11.366 1.00 0.00 N ATOM 210 CA VAL A 13 23.281 6.992 12.227 1.00 0.00 C ATOM 211 C VAL A 13 22.447 7.240 13.498 1.00 0.00 C ATOM 212 O VAL A 13 22.672 8.220 14.216 1.00 0.00 O ATOM 213 CB VAL A 13 24.760 6.612 12.615 1.00 0.00 C ATOM 214 CG1 VAL A 13 24.800 5.390 13.579 1.00 0.00 C ATOM 215 CG2 VAL A 13 25.613 6.344 11.349 1.00 0.00 C ATOM 0 H VAL A 13 23.527 9.040 11.822 1.00 0.00 H new ATOM 0 HA VAL A 13 22.886 6.148 11.662 1.00 0.00 H new ATOM 0 HB VAL A 13 25.191 7.463 13.142 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.835 5.155 13.826 1.00 0.00 H new ATOM 0 HG12 VAL A 13 24.254 5.629 14.492 1.00 0.00 H new ATOM 0 HG13 VAL A 13 24.338 4.529 13.095 1.00 0.00 H new ATOM 0 HG21 VAL A 13 26.630 6.084 11.644 1.00 0.00 H new ATOM 0 HG22 VAL A 13 25.177 5.520 10.784 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.633 7.239 10.728 1.00 0.00 H new ATOM 225 N VAL A 14 21.482 6.342 13.762 1.00 0.00 N ATOM 226 CA VAL A 14 20.556 6.438 14.905 1.00 0.00 C ATOM 227 C VAL A 14 20.365 5.035 15.511 1.00 0.00 C ATOM 228 O VAL A 14 20.017 4.092 14.799 1.00 0.00 O ATOM 229 CB VAL A 14 19.176 7.074 14.461 1.00 0.00 C ATOM 230 CG1 VAL A 14 18.606 6.385 13.193 1.00 0.00 C ATOM 231 CG2 VAL A 14 18.137 7.085 15.620 1.00 0.00 C ATOM 0 H VAL A 14 21.321 5.519 13.181 1.00 0.00 H new ATOM 0 HA VAL A 14 20.977 7.097 15.664 1.00 0.00 H new ATOM 0 HB VAL A 14 19.378 8.114 14.203 1.00 0.00 H new ATOM 0 HG11 VAL A 14 17.659 6.850 12.921 1.00 0.00 H new ATOM 0 HG12 VAL A 14 19.313 6.494 12.371 1.00 0.00 H new ATOM 0 HG13 VAL A 14 18.445 5.326 13.395 1.00 0.00 H new ATOM 0 HG21 VAL A 14 17.206 7.530 15.270 1.00 0.00 H new ATOM 0 HG22 VAL A 14 17.949 6.063 15.950 1.00 0.00 H new ATOM 0 HG23 VAL A 14 18.527 7.669 16.453 1.00 0.00 H new ATOM 241 N ASN A 15 20.660 4.900 16.820 1.00 0.00 N ATOM 242 CA ASN A 15 20.519 3.628 17.586 1.00 0.00 C ATOM 243 C ASN A 15 21.407 2.493 17.017 1.00 0.00 C ATOM 244 O ASN A 15 21.140 1.309 17.252 1.00 0.00 O ATOM 245 CB ASN A 15 19.022 3.180 17.669 1.00 0.00 C ATOM 246 CG ASN A 15 18.118 4.138 18.453 1.00 0.00 C ATOM 247 OD1 ASN A 15 18.362 5.342 18.519 1.00 0.00 O ATOM 248 ND2 ASN A 15 17.055 3.610 19.046 1.00 0.00 N ATOM 0 H ASN A 15 21.007 5.673 17.387 1.00 0.00 H new ATOM 0 HA ASN A 15 20.872 3.831 18.597 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.630 3.076 16.657 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.975 2.194 18.132 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.416 4.206 19.573 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.876 2.608 18.975 1.00 0.00 H new ATOM 255 N GLY A 16 22.470 2.871 16.289 1.00 0.00 N ATOM 256 CA GLY A 16 23.404 1.910 15.693 1.00 0.00 C ATOM 257 C GLY A 16 23.051 1.506 14.261 1.00 0.00 C ATOM 258 O GLY A 16 23.841 0.819 13.602 1.00 0.00 O ATOM 0 H GLY A 16 22.703 3.846 16.099 1.00 0.00 H new ATOM 0 HA2 GLY A 16 24.406 2.339 15.702 1.00 0.00 H new ATOM 0 HA3 GLY A 16 23.435 1.015 16.315 1.00 0.00 H new ATOM 262 N LYS A 17 21.863 1.927 13.775 1.00 0.00 N ATOM 263 CA LYS A 17 21.450 1.707 12.372 1.00 0.00 C ATOM 264 C LYS A 17 21.802 2.948 11.551 1.00 0.00 C ATOM 265 O LYS A 17 22.179 3.988 12.100 1.00 0.00 O ATOM 266 CB LYS A 17 19.917 1.396 12.253 1.00 0.00 C ATOM 267 CG LYS A 17 18.979 2.632 12.188 1.00 0.00 C ATOM 268 CD LYS A 17 17.488 2.253 12.026 1.00 0.00 C ATOM 269 CE LYS A 17 16.928 1.477 13.231 1.00 0.00 C ATOM 270 NZ LYS A 17 15.515 1.072 13.013 1.00 0.00 N ATOM 0 H LYS A 17 21.171 2.423 14.336 1.00 0.00 H new ATOM 0 HA LYS A 17 21.984 0.837 11.989 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.756 0.794 11.359 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.622 0.785 13.106 1.00 0.00 H new ATOM 0 HG2 LYS A 17 19.101 3.222 13.096 1.00 0.00 H new ATOM 0 HG3 LYS A 17 19.280 3.266 11.354 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.902 3.161 11.882 1.00 0.00 H new ATOM 0 HD3 LYS A 17 17.368 1.650 11.126 1.00 0.00 H new ATOM 0 HE2 LYS A 17 17.538 0.591 13.409 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.996 2.095 14.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.139 0.642 13.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.948 1.909 12.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.468 0.382 12.237 1.00 0.00 H new ATOM 284 N VAL A 18 21.650 2.835 10.234 1.00 0.00 N ATOM 285 CA VAL A 18 21.832 3.943 9.298 1.00 0.00 C ATOM 286 C VAL A 18 20.497 4.210 8.584 1.00 0.00 C ATOM 287 O VAL A 18 19.886 3.286 8.034 1.00 0.00 O ATOM 288 CB VAL A 18 22.959 3.633 8.242 1.00 0.00 C ATOM 289 CG1 VAL A 18 23.080 4.772 7.211 1.00 0.00 C ATOM 290 CG2 VAL A 18 24.326 3.357 8.927 1.00 0.00 C ATOM 0 H VAL A 18 21.393 1.959 9.780 1.00 0.00 H new ATOM 0 HA VAL A 18 22.145 4.825 9.856 1.00 0.00 H new ATOM 0 HB VAL A 18 22.668 2.726 7.713 1.00 0.00 H new ATOM 0 HG11 VAL A 18 23.865 4.532 6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 18 22.132 4.889 6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 18 23.328 5.702 7.723 1.00 0.00 H new ATOM 0 HG21 VAL A 18 25.078 3.147 8.167 1.00 0.00 H new ATOM 0 HG22 VAL A 18 24.627 4.232 9.504 1.00 0.00 H new ATOM 0 HG23 VAL A 18 24.233 2.498 9.592 1.00 0.00 H new ATOM 300 N GLU A 19 20.023 5.470 8.626 1.00 0.00 N ATOM 301 CA GLU A 19 18.887 5.921 7.803 1.00 0.00 C ATOM 302 C GLU A 19 19.391 6.819 6.678 1.00 0.00 C ATOM 303 O GLU A 19 20.465 7.429 6.767 1.00 0.00 O ATOM 304 CB GLU A 19 17.811 6.675 8.624 1.00 0.00 C ATOM 305 CG GLU A 19 17.228 5.891 9.810 1.00 0.00 C ATOM 306 CD GLU A 19 15.988 6.565 10.424 1.00 0.00 C ATOM 307 OE1 GLU A 19 16.139 7.618 11.071 1.00 0.00 O ATOM 308 OE2 GLU A 19 14.860 6.043 10.272 1.00 0.00 O ATOM 0 H GLU A 19 20.413 6.197 9.226 1.00 0.00 H new ATOM 0 HA GLU A 19 18.414 5.027 7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.246 7.601 8.999 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.996 6.953 7.956 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.963 4.887 9.480 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.994 5.782 10.578 1.00 0.00 H new ATOM 315 N TYR A 20 18.586 6.899 5.624 1.00 0.00 N ATOM 316 CA TYR A 20 18.879 7.682 4.430 1.00 0.00 C ATOM 317 C TYR A 20 17.695 8.613 4.159 1.00 0.00 C ATOM 318 O TYR A 20 16.544 8.159 4.114 1.00 0.00 O ATOM 319 CB TYR A 20 19.124 6.740 3.214 1.00 0.00 C ATOM 320 CG TYR A 20 20.352 5.820 3.374 1.00 0.00 C ATOM 321 CD1 TYR A 20 20.245 4.558 3.973 1.00 0.00 C ATOM 322 CD2 TYR A 20 21.619 6.228 2.950 1.00 0.00 C ATOM 323 CE1 TYR A 20 21.356 3.756 4.142 1.00 0.00 C ATOM 324 CE2 TYR A 20 22.724 5.421 3.109 1.00 0.00 C ATOM 325 CZ TYR A 20 22.588 4.189 3.707 1.00 0.00 C ATOM 326 OH TYR A 20 23.701 3.400 3.890 1.00 0.00 O ATOM 0 H TYR A 20 17.692 6.410 5.575 1.00 0.00 H new ATOM 0 HA TYR A 20 19.783 8.272 4.583 1.00 0.00 H new ATOM 0 HB2 TYR A 20 18.238 6.124 3.060 1.00 0.00 H new ATOM 0 HB3 TYR A 20 19.251 7.346 2.317 1.00 0.00 H new ATOM 0 HD1 TYR A 20 19.280 4.208 4.307 1.00 0.00 H new ATOM 0 HD2 TYR A 20 21.735 7.197 2.488 1.00 0.00 H new ATOM 0 HE1 TYR A 20 21.259 2.790 4.615 1.00 0.00 H new ATOM 0 HE2 TYR A 20 23.693 5.754 2.766 1.00 0.00 H new ATOM 0 HH TYR A 20 24.488 3.855 3.524 1.00 0.00 H new ATOM 336 N PHE A 21 17.976 9.921 4.005 1.00 0.00 N ATOM 337 CA PHE A 21 16.956 10.899 3.620 1.00 0.00 C ATOM 338 C PHE A 21 16.727 10.730 2.129 1.00 0.00 C ATOM 339 O PHE A 21 17.605 11.037 1.327 1.00 0.00 O ATOM 340 CB PHE A 21 17.405 12.352 3.940 1.00 0.00 C ATOM 341 CG PHE A 21 16.304 13.393 3.729 1.00 0.00 C ATOM 342 CD1 PHE A 21 15.262 13.508 4.644 1.00 0.00 C ATOM 343 CD2 PHE A 21 16.297 14.235 2.619 1.00 0.00 C ATOM 344 CE1 PHE A 21 14.251 14.431 4.461 1.00 0.00 C ATOM 345 CE2 PHE A 21 15.278 15.154 2.431 1.00 0.00 C ATOM 346 CZ PHE A 21 14.259 15.252 3.352 1.00 0.00 C ATOM 0 H PHE A 21 18.905 10.320 4.143 1.00 0.00 H new ATOM 0 HA PHE A 21 16.039 10.728 4.184 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.745 12.399 4.975 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.259 12.606 3.312 1.00 0.00 H new ATOM 0 HD1 PHE A 21 15.244 12.865 5.512 1.00 0.00 H new ATOM 0 HD2 PHE A 21 17.096 14.170 1.896 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.454 14.510 5.186 1.00 0.00 H new ATOM 0 HE2 PHE A 21 15.283 15.794 1.561 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.466 15.971 3.206 1.00 0.00 H new ATOM 356 N LEU A 22 15.567 10.187 1.788 1.00 0.00 N ATOM 357 CA LEU A 22 15.229 9.848 0.414 1.00 0.00 C ATOM 358 C LEU A 22 14.734 11.076 -0.350 1.00 0.00 C ATOM 359 O LEU A 22 14.554 12.158 0.219 1.00 0.00 O ATOM 360 CB LEU A 22 14.157 8.738 0.412 1.00 0.00 C ATOM 361 CG LEU A 22 14.555 7.389 1.087 1.00 0.00 C ATOM 362 CD1 LEU A 22 13.460 6.339 0.850 1.00 0.00 C ATOM 363 CD2 LEU A 22 15.939 6.881 0.608 1.00 0.00 C ATOM 0 H LEU A 22 14.831 9.969 2.460 1.00 0.00 H new ATOM 0 HA LEU A 22 16.125 9.487 -0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.267 9.121 0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.878 8.534 -0.622 1.00 0.00 H new ATOM 0 HG LEU A 22 14.645 7.565 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.747 5.401 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.521 6.690 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 22 13.334 6.180 -0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.173 5.940 1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 22 15.916 6.726 -0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.702 7.620 0.852 1.00 0.00 H new ATOM 375 N LYS A 23 14.546 10.887 -1.654 1.00 0.00 N ATOM 376 CA LYS A 23 13.860 11.836 -2.512 1.00 0.00 C ATOM 377 C LYS A 23 12.756 11.053 -3.224 1.00 0.00 C ATOM 378 O LYS A 23 13.042 10.311 -4.147 1.00 0.00 O ATOM 379 CB LYS A 23 14.864 12.495 -3.518 1.00 0.00 C ATOM 380 CG LYS A 23 14.458 13.890 -4.057 1.00 0.00 C ATOM 381 CD LYS A 23 13.143 13.899 -4.869 1.00 0.00 C ATOM 382 CE LYS A 23 12.803 15.295 -5.415 1.00 0.00 C ATOM 383 NZ LYS A 23 13.933 15.875 -6.188 1.00 0.00 N ATOM 0 H LYS A 23 14.873 10.056 -2.147 1.00 0.00 H new ATOM 0 HA LYS A 23 13.428 12.658 -1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 23 15.834 12.583 -3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.994 11.822 -4.366 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.357 14.576 -3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.262 14.272 -4.686 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.226 13.197 -5.699 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.326 13.550 -4.237 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.921 15.231 -6.053 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.551 15.958 -4.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.560 16.465 -6.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.521 16.458 -5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.510 15.108 -6.588 1.00 0.00 H new ATOM 397 N TRP A 24 11.513 11.177 -2.752 1.00 0.00 N ATOM 398 CA TRP A 24 10.356 10.533 -3.389 1.00 0.00 C ATOM 399 C TRP A 24 10.081 11.215 -4.734 1.00 0.00 C ATOM 400 O TRP A 24 9.785 12.413 -4.769 1.00 0.00 O ATOM 401 CB TRP A 24 9.116 10.589 -2.464 1.00 0.00 C ATOM 402 CG TRP A 24 9.352 9.941 -1.119 1.00 0.00 C ATOM 403 CD1 TRP A 24 9.474 10.569 0.082 1.00 0.00 C ATOM 404 CD2 TRP A 24 9.528 8.539 -0.854 1.00 0.00 C ATOM 405 NE1 TRP A 24 9.687 9.656 1.076 1.00 0.00 N ATOM 406 CE2 TRP A 24 9.724 8.403 0.527 1.00 0.00 C ATOM 407 CE3 TRP A 24 9.519 7.387 -1.650 1.00 0.00 C ATOM 408 CZ2 TRP A 24 9.923 7.173 1.137 1.00 0.00 C ATOM 409 CZ3 TRP A 24 9.714 6.163 -1.042 1.00 0.00 C ATOM 410 CH2 TRP A 24 9.906 6.062 0.339 1.00 0.00 C ATOM 0 H TRP A 24 11.278 11.723 -1.923 1.00 0.00 H new ATOM 0 HA TRP A 24 10.577 9.480 -3.565 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.828 11.630 -2.314 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.279 10.095 -2.957 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.411 11.637 0.229 1.00 0.00 H new ATOM 0 HE1 TRP A 24 9.800 9.873 2.066 1.00 0.00 H new ATOM 0 HE3 TRP A 24 9.363 7.455 -2.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.085 7.095 2.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.718 5.267 -1.645 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.044 5.088 0.785 1.00 0.00 H new ATOM 421 N LYS A 25 10.216 10.448 -5.826 1.00 0.00 N ATOM 422 CA LYS A 25 10.166 10.983 -7.190 1.00 0.00 C ATOM 423 C LYS A 25 8.723 11.362 -7.558 1.00 0.00 C ATOM 424 O LYS A 25 7.853 10.495 -7.647 1.00 0.00 O ATOM 425 CB LYS A 25 10.748 9.947 -8.186 1.00 0.00 C ATOM 426 CG LYS A 25 11.019 10.510 -9.597 1.00 0.00 C ATOM 427 CD LYS A 25 11.767 9.518 -10.521 1.00 0.00 C ATOM 428 CE LYS A 25 10.963 8.242 -10.806 1.00 0.00 C ATOM 429 NZ LYS A 25 9.693 8.527 -11.515 1.00 0.00 N ATOM 0 H LYS A 25 10.363 9.439 -5.786 1.00 0.00 H new ATOM 0 HA LYS A 25 10.774 11.886 -7.246 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.679 9.552 -7.780 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.055 9.109 -8.268 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.070 10.782 -10.060 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.605 11.425 -9.509 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.999 10.013 -11.464 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.717 9.247 -10.061 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.567 7.561 -11.405 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.746 7.734 -9.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.241 7.632 -11.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.056 9.057 -10.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.890 9.092 -12.365 1.00 0.00 H new ATOM 443 N GLY A 26 8.495 12.669 -7.755 1.00 0.00 N ATOM 444 CA GLY A 26 7.157 13.230 -7.991 1.00 0.00 C ATOM 445 C GLY A 26 6.767 14.214 -6.894 1.00 0.00 C ATOM 446 O GLY A 26 6.003 15.157 -7.125 1.00 0.00 O ATOM 0 H GLY A 26 9.237 13.369 -7.755 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.137 13.733 -8.958 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.425 12.424 -8.036 1.00 0.00 H new ATOM 450 N PHE A 27 7.307 13.975 -5.691 1.00 0.00 N ATOM 451 CA PHE A 27 7.079 14.811 -4.500 1.00 0.00 C ATOM 452 C PHE A 27 8.232 15.803 -4.287 1.00 0.00 C ATOM 453 O PHE A 27 9.358 15.589 -4.762 1.00 0.00 O ATOM 454 CB PHE A 27 6.911 13.913 -3.245 1.00 0.00 C ATOM 455 CG PHE A 27 5.638 13.068 -3.249 1.00 0.00 C ATOM 456 CD1 PHE A 27 4.422 13.615 -2.837 1.00 0.00 C ATOM 457 CD2 PHE A 27 5.652 11.741 -3.659 1.00 0.00 C ATOM 458 CE1 PHE A 27 3.266 12.858 -2.833 1.00 0.00 C ATOM 459 CE2 PHE A 27 4.490 10.985 -3.652 1.00 0.00 C ATOM 460 CZ PHE A 27 3.301 11.544 -3.241 1.00 0.00 C ATOM 0 H PHE A 27 7.925 13.183 -5.513 1.00 0.00 H new ATOM 0 HA PHE A 27 6.166 15.384 -4.659 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.773 13.251 -3.167 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.912 14.545 -2.357 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.384 14.646 -2.516 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.578 11.293 -3.987 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.334 13.298 -2.509 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.518 9.953 -3.970 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.397 10.953 -3.239 1.00 0.00 H new ATOM 470 N THR A 28 7.928 16.887 -3.550 1.00 0.00 N ATOM 471 CA THR A 28 8.901 17.938 -3.211 1.00 0.00 C ATOM 472 C THR A 28 9.878 17.443 -2.129 1.00 0.00 C ATOM 473 O THR A 28 9.585 16.480 -1.405 1.00 0.00 O ATOM 474 CB THR A 28 8.182 19.259 -2.744 1.00 0.00 C ATOM 475 OG1 THR A 28 9.150 20.292 -2.467 1.00 0.00 O ATOM 476 CG2 THR A 28 7.310 19.045 -1.498 1.00 0.00 C ATOM 0 H THR A 28 6.996 17.058 -3.172 1.00 0.00 H new ATOM 0 HA THR A 28 9.468 18.169 -4.113 1.00 0.00 H new ATOM 0 HB THR A 28 7.532 19.563 -3.564 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.686 21.106 -2.180 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.837 19.987 -1.219 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.541 18.303 -1.715 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.932 18.693 -0.675 1.00 0.00 H new ATOM 484 N ASP A 29 11.029 18.126 -2.019 1.00 0.00 N ATOM 485 CA ASP A 29 12.088 17.770 -1.055 1.00 0.00 C ATOM 486 C ASP A 29 11.645 18.069 0.396 1.00 0.00 C ATOM 487 O ASP A 29 12.225 17.545 1.355 1.00 0.00 O ATOM 488 CB ASP A 29 13.402 18.514 -1.393 1.00 0.00 C ATOM 489 CG ASP A 29 13.851 18.326 -2.857 1.00 0.00 C ATOM 490 OD1 ASP A 29 14.553 17.339 -3.167 1.00 0.00 O ATOM 491 OD2 ASP A 29 13.500 19.177 -3.711 1.00 0.00 O ATOM 0 H ASP A 29 11.253 18.939 -2.593 1.00 0.00 H new ATOM 0 HA ASP A 29 12.269 16.698 -1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.270 19.578 -1.194 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.192 18.161 -0.730 1.00 0.00 H new ATOM 496 N ALA A 30 10.611 18.935 0.532 1.00 0.00 N ATOM 497 CA ALA A 30 9.952 19.237 1.823 1.00 0.00 C ATOM 498 C ALA A 30 9.097 18.036 2.291 1.00 0.00 C ATOM 499 O ALA A 30 8.945 17.790 3.493 1.00 0.00 O ATOM 500 CB ALA A 30 9.078 20.500 1.679 1.00 0.00 C ATOM 0 H ALA A 30 10.210 19.445 -0.255 1.00 0.00 H new ATOM 0 HA ALA A 30 10.718 19.421 2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.595 20.719 2.631 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.703 21.344 1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.317 20.331 0.917 1.00 0.00 H new ATOM 506 N ASP A 31 8.548 17.288 1.317 1.00 0.00 N ATOM 507 CA ASP A 31 7.684 16.117 1.580 1.00 0.00 C ATOM 508 C ASP A 31 8.524 14.887 1.955 1.00 0.00 C ATOM 509 O ASP A 31 8.068 14.023 2.723 1.00 0.00 O ATOM 510 CB ASP A 31 6.816 15.800 0.330 1.00 0.00 C ATOM 511 CG ASP A 31 5.881 14.592 0.539 1.00 0.00 C ATOM 512 OD1 ASP A 31 4.823 14.770 1.171 1.00 0.00 O ATOM 513 OD2 ASP A 31 6.213 13.463 0.107 1.00 0.00 O ATOM 0 H ASP A 31 8.689 17.476 0.325 1.00 0.00 H new ATOM 0 HA ASP A 31 7.032 16.359 2.419 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.219 16.676 0.077 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.470 15.604 -0.520 1.00 0.00 H new ATOM 518 N ASN A 32 9.746 14.825 1.400 1.00 0.00 N ATOM 519 CA ASN A 32 10.630 13.652 1.518 1.00 0.00 C ATOM 520 C ASN A 32 11.008 13.346 2.979 1.00 0.00 C ATOM 521 O ASN A 32 11.105 14.252 3.811 1.00 0.00 O ATOM 522 CB ASN A 32 11.891 13.833 0.646 1.00 0.00 C ATOM 523 CG ASN A 32 11.606 14.071 -0.851 1.00 0.00 C ATOM 524 OD1 ASN A 32 12.417 14.661 -1.551 1.00 0.00 O ATOM 525 ND2 ASN A 32 10.461 13.620 -1.368 1.00 0.00 N ATOM 0 H ASN A 32 10.150 15.588 0.856 1.00 0.00 H new ATOM 0 HA ASN A 32 10.072 12.790 1.151 1.00 0.00 H new ATOM 0 HB2 ASN A 32 12.466 14.675 1.032 1.00 0.00 H new ATOM 0 HB3 ASN A 32 12.517 12.947 0.747 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.255 13.766 -2.356 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.792 13.129 -0.775 1.00 0.00 H new ATOM 532 N THR A 33 11.216 12.050 3.270 1.00 0.00 N ATOM 533 CA THR A 33 11.329 11.525 4.647 1.00 0.00 C ATOM 534 C THR A 33 12.627 10.714 4.832 1.00 0.00 C ATOM 535 O THR A 33 13.279 10.320 3.849 1.00 0.00 O ATOM 536 CB THR A 33 10.093 10.609 4.971 1.00 0.00 C ATOM 537 OG1 THR A 33 9.988 9.578 3.980 1.00 0.00 O ATOM 538 CG2 THR A 33 8.765 11.390 5.010 1.00 0.00 C ATOM 0 H THR A 33 11.311 11.331 2.553 1.00 0.00 H new ATOM 0 HA THR A 33 11.352 12.374 5.330 1.00 0.00 H new ATOM 0 HB THR A 33 10.262 10.188 5.962 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.962 8.703 4.420 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.947 10.706 5.238 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.819 12.161 5.779 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.589 11.856 4.041 1.00 0.00 H new ATOM 546 N TRP A 34 12.993 10.484 6.106 1.00 0.00 N ATOM 547 CA TRP A 34 14.079 9.570 6.484 1.00 0.00 C ATOM 548 C TRP A 34 13.526 8.148 6.546 1.00 0.00 C ATOM 549 O TRP A 34 12.589 7.876 7.316 1.00 0.00 O ATOM 550 CB TRP A 34 14.676 9.940 7.867 1.00 0.00 C ATOM 551 CG TRP A 34 15.444 11.233 7.887 1.00 0.00 C ATOM 552 CD1 TRP A 34 14.974 12.483 8.186 1.00 0.00 C ATOM 553 CD2 TRP A 34 16.835 11.385 7.598 1.00 0.00 C ATOM 554 NE1 TRP A 34 15.994 13.394 8.101 1.00 0.00 N ATOM 555 CE2 TRP A 34 17.147 12.743 7.742 1.00 0.00 C ATOM 556 CE3 TRP A 34 17.844 10.491 7.228 1.00 0.00 C ATOM 557 CZ2 TRP A 34 18.430 13.232 7.535 1.00 0.00 C ATOM 558 CZ3 TRP A 34 19.115 10.973 7.018 1.00 0.00 C ATOM 559 CH2 TRP A 34 19.402 12.335 7.172 1.00 0.00 C ATOM 0 H TRP A 34 12.540 10.930 6.903 1.00 0.00 H new ATOM 0 HA TRP A 34 14.870 9.648 5.739 1.00 0.00 H new ATOM 0 HB2 TRP A 34 13.866 10.001 8.594 1.00 0.00 H new ATOM 0 HB3 TRP A 34 15.335 9.135 8.192 1.00 0.00 H new ATOM 0 HD1 TRP A 34 13.953 12.716 8.449 1.00 0.00 H new ATOM 0 HE1 TRP A 34 15.910 14.395 8.276 1.00 0.00 H new ATOM 0 HE3 TRP A 34 17.629 9.439 7.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 18.655 14.281 7.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 19.902 10.292 6.730 1.00 0.00 H new ATOM 0 HH2 TRP A 34 20.409 12.686 7.001 1.00 0.00 H new ATOM 570 N GLU A 35 14.080 7.252 5.721 1.00 0.00 N ATOM 571 CA GLU A 35 13.773 5.822 5.785 1.00 0.00 C ATOM 572 C GLU A 35 15.060 5.043 6.079 1.00 0.00 C ATOM 573 O GLU A 35 16.084 5.292 5.428 1.00 0.00 O ATOM 574 CB GLU A 35 13.139 5.300 4.470 1.00 0.00 C ATOM 575 CG GLU A 35 11.795 5.947 4.065 1.00 0.00 C ATOM 576 CD GLU A 35 10.736 5.990 5.191 1.00 0.00 C ATOM 577 OE1 GLU A 35 10.658 5.044 6.011 1.00 0.00 O ATOM 578 OE2 GLU A 35 9.952 6.959 5.246 1.00 0.00 O ATOM 0 H GLU A 35 14.751 7.498 4.993 1.00 0.00 H new ATOM 0 HA GLU A 35 13.044 5.672 6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 35 13.852 5.453 3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.989 4.225 4.564 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.985 6.965 3.724 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.383 5.398 3.218 1.00 0.00 H new ATOM 585 N PRO A 36 15.038 4.085 7.052 1.00 0.00 N ATOM 586 CA PRO A 36 16.228 3.276 7.386 1.00 0.00 C ATOM 587 C PRO A 36 16.633 2.325 6.237 1.00 0.00 C ATOM 588 O PRO A 36 15.825 2.014 5.360 1.00 0.00 O ATOM 589 CB PRO A 36 15.793 2.522 8.667 1.00 0.00 C ATOM 590 CG PRO A 36 14.295 2.465 8.598 1.00 0.00 C ATOM 591 CD PRO A 36 13.860 3.728 7.896 1.00 0.00 C ATOM 0 HA PRO A 36 17.123 3.878 7.541 1.00 0.00 H new ATOM 0 HB2 PRO A 36 16.224 1.522 8.701 1.00 0.00 H new ATOM 0 HB3 PRO A 36 16.127 3.044 9.564 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.963 1.582 8.052 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.861 2.405 9.596 1.00 0.00 H new ATOM 0 HD2 PRO A 36 12.969 3.563 7.291 1.00 0.00 H new ATOM 0 HD3 PRO A 36 13.621 4.520 8.606 1.00 0.00 H new ATOM 599 N GLU A 37 17.897 1.878 6.275 1.00 0.00 N ATOM 600 CA GLU A 37 18.499 0.941 5.294 1.00 0.00 C ATOM 601 C GLU A 37 17.687 -0.382 5.169 1.00 0.00 C ATOM 602 O GLU A 37 17.665 -1.017 4.114 1.00 0.00 O ATOM 603 CB GLU A 37 19.961 0.648 5.744 1.00 0.00 C ATOM 604 CG GLU A 37 20.059 -0.024 7.134 1.00 0.00 C ATOM 605 CD GLU A 37 21.481 -0.124 7.711 1.00 0.00 C ATOM 606 OE1 GLU A 37 22.415 -0.512 6.977 1.00 0.00 O ATOM 607 OE2 GLU A 37 21.661 0.142 8.919 1.00 0.00 O ATOM 0 H GLU A 37 18.552 2.161 7.004 1.00 0.00 H new ATOM 0 HA GLU A 37 18.486 1.402 4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.438 0.005 5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.521 1.583 5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 37 19.438 0.534 7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 37 19.640 -1.028 7.065 1.00 0.00 H new ATOM 614 N GLU A 38 17.009 -0.740 6.275 1.00 0.00 N ATOM 615 CA GLU A 38 16.196 -1.961 6.411 1.00 0.00 C ATOM 616 C GLU A 38 14.843 -1.836 5.664 1.00 0.00 C ATOM 617 O GLU A 38 14.189 -2.841 5.393 1.00 0.00 O ATOM 618 CB GLU A 38 15.952 -2.219 7.931 1.00 0.00 C ATOM 619 CG GLU A 38 15.117 -1.114 8.619 1.00 0.00 C ATOM 620 CD GLU A 38 15.135 -1.166 10.154 1.00 0.00 C ATOM 621 OE1 GLU A 38 16.161 -0.784 10.758 1.00 0.00 O ATOM 622 OE2 GLU A 38 14.122 -1.565 10.769 1.00 0.00 O ATOM 0 H GLU A 38 17.012 -0.171 7.122 1.00 0.00 H new ATOM 0 HA GLU A 38 16.732 -2.797 5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.444 -3.176 8.052 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.914 -2.303 8.436 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.489 -0.141 8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.085 -1.190 8.277 1.00 0.00 H new ATOM 629 N ASN A 39 14.438 -0.597 5.339 1.00 0.00 N ATOM 630 CA ASN A 39 13.080 -0.295 4.829 1.00 0.00 C ATOM 631 C ASN A 39 13.110 0.058 3.319 1.00 0.00 C ATOM 632 O ASN A 39 12.058 0.230 2.697 1.00 0.00 O ATOM 633 CB ASN A 39 12.479 0.872 5.676 1.00 0.00 C ATOM 634 CG ASN A 39 10.951 0.952 5.645 1.00 0.00 C ATOM 635 OD1 ASN A 39 10.267 -0.061 5.500 1.00 0.00 O ATOM 636 ND2 ASN A 39 10.408 2.148 5.797 1.00 0.00 N ATOM 0 H ASN A 39 15.037 0.225 5.420 1.00 0.00 H new ATOM 0 HA ASN A 39 12.449 -1.178 4.929 1.00 0.00 H new ATOM 0 HB2 ASN A 39 12.804 0.759 6.710 1.00 0.00 H new ATOM 0 HB3 ASN A 39 12.888 1.816 5.314 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.393 2.251 5.796 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.004 2.967 5.915 1.00 0.00 H new ATOM 643 N LEU A 40 14.325 0.136 2.742 1.00 0.00 N ATOM 644 CA LEU A 40 14.526 0.516 1.321 1.00 0.00 C ATOM 645 C LEU A 40 14.434 -0.717 0.406 1.00 0.00 C ATOM 646 O LEU A 40 14.616 -1.847 0.861 1.00 0.00 O ATOM 647 CB LEU A 40 15.914 1.208 1.133 1.00 0.00 C ATOM 648 CG LEU A 40 16.239 2.377 2.117 1.00 0.00 C ATOM 649 CD1 LEU A 40 17.569 3.076 1.761 1.00 0.00 C ATOM 650 CD2 LEU A 40 15.083 3.383 2.197 1.00 0.00 C ATOM 0 H LEU A 40 15.193 -0.060 3.240 1.00 0.00 H new ATOM 0 HA LEU A 40 13.737 1.216 1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 40 16.691 0.450 1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 40 15.971 1.591 0.114 1.00 0.00 H new ATOM 0 HG LEU A 40 16.361 1.936 3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 40 17.757 3.882 2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 40 18.384 2.354 1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 40 17.506 3.486 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 40 15.344 4.182 2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 40 14.899 3.805 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.184 2.877 2.548 1.00 0.00 H new ATOM 662 N ASP A 41 14.144 -0.488 -0.896 1.00 0.00 N ATOM 663 CA ASP A 41 14.307 -1.524 -1.950 1.00 0.00 C ATOM 664 C ASP A 41 15.487 -1.153 -2.861 1.00 0.00 C ATOM 665 O ASP A 41 15.706 -1.792 -3.892 1.00 0.00 O ATOM 666 CB ASP A 41 13.017 -1.684 -2.804 1.00 0.00 C ATOM 667 CG ASP A 41 11.774 -2.082 -1.989 1.00 0.00 C ATOM 668 OD1 ASP A 41 11.668 -3.257 -1.589 1.00 0.00 O ATOM 669 OD2 ASP A 41 10.890 -1.221 -1.757 1.00 0.00 O ATOM 0 H ASP A 41 13.795 0.405 -1.245 1.00 0.00 H new ATOM 0 HA ASP A 41 14.502 -2.476 -1.456 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.816 -0.745 -3.320 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.193 -2.438 -3.572 1.00 0.00 H new ATOM 674 N CYS A 42 16.267 -0.130 -2.457 1.00 0.00 N ATOM 675 CA CYS A 42 17.332 0.442 -3.289 1.00 0.00 C ATOM 676 C CYS A 42 18.721 0.264 -2.634 1.00 0.00 C ATOM 677 O CYS A 42 19.143 1.114 -1.849 1.00 0.00 O ATOM 678 CB CYS A 42 17.019 1.939 -3.539 1.00 0.00 C ATOM 679 SG CYS A 42 16.797 2.929 -2.039 1.00 0.00 S ATOM 0 H CYS A 42 16.173 0.318 -1.546 1.00 0.00 H new ATOM 0 HA CYS A 42 17.366 -0.087 -4.241 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.829 2.372 -4.127 1.00 0.00 H new ATOM 0 HB3 CYS A 42 16.114 2.011 -4.142 1.00 0.00 H new ATOM 0 HG CYS A 42 17.785 2.708 -1.223 1.00 0.00 H new ATOM 685 N PRO A 43 19.453 -0.866 -2.925 1.00 0.00 N ATOM 686 CA PRO A 43 20.895 -0.986 -2.590 1.00 0.00 C ATOM 687 C PRO A 43 21.768 -0.207 -3.602 1.00 0.00 C ATOM 688 O PRO A 43 22.901 0.174 -3.294 1.00 0.00 O ATOM 689 CB PRO A 43 21.145 -2.514 -2.665 1.00 0.00 C ATOM 690 CG PRO A 43 20.154 -3.010 -3.677 1.00 0.00 C ATOM 691 CD PRO A 43 18.926 -2.126 -3.532 1.00 0.00 C ATOM 0 HA PRO A 43 21.152 -0.566 -1.618 1.00 0.00 H new ATOM 0 HB2 PRO A 43 22.168 -2.734 -2.971 1.00 0.00 H new ATOM 0 HB3 PRO A 43 20.993 -2.989 -1.696 1.00 0.00 H new ATOM 0 HG2 PRO A 43 20.562 -2.947 -4.686 1.00 0.00 H new ATOM 0 HG3 PRO A 43 19.905 -4.056 -3.498 1.00 0.00 H new ATOM 0 HD2 PRO A 43 18.455 -1.937 -4.497 1.00 0.00 H new ATOM 0 HD3 PRO A 43 18.173 -2.591 -2.895 1.00 0.00 H new ATOM 699 N GLU A 44 21.194 0.027 -4.805 1.00 0.00 N ATOM 700 CA GLU A 44 21.829 0.794 -5.892 1.00 0.00 C ATOM 701 C GLU A 44 22.006 2.274 -5.512 1.00 0.00 C ATOM 702 O GLU A 44 23.067 2.842 -5.742 1.00 0.00 O ATOM 703 CB GLU A 44 21.006 0.661 -7.210 1.00 0.00 C ATOM 704 CG GLU A 44 19.515 1.056 -7.091 1.00 0.00 C ATOM 705 CD GLU A 44 18.759 0.987 -8.425 1.00 0.00 C ATOM 706 OE1 GLU A 44 18.773 1.983 -9.176 1.00 0.00 O ATOM 707 OE2 GLU A 44 18.168 -0.071 -8.736 1.00 0.00 O ATOM 0 H GLU A 44 20.265 -0.318 -5.047 1.00 0.00 H new ATOM 0 HA GLU A 44 22.822 0.374 -6.056 1.00 0.00 H new ATOM 0 HB2 GLU A 44 21.471 1.282 -7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 44 21.067 -0.371 -7.556 1.00 0.00 H new ATOM 0 HG2 GLU A 44 19.028 0.398 -6.371 1.00 0.00 H new ATOM 0 HG3 GLU A 44 19.445 2.069 -6.694 1.00 0.00 H new ATOM 714 N LEU A 45 20.960 2.877 -4.916 1.00 0.00 N ATOM 715 CA LEU A 45 20.966 4.303 -4.532 1.00 0.00 C ATOM 716 C LEU A 45 21.791 4.525 -3.253 1.00 0.00 C ATOM 717 O LEU A 45 22.355 5.602 -3.067 1.00 0.00 O ATOM 718 CB LEU A 45 19.517 4.830 -4.360 1.00 0.00 C ATOM 719 CG LEU A 45 18.613 4.782 -5.635 1.00 0.00 C ATOM 720 CD1 LEU A 45 17.194 5.304 -5.320 1.00 0.00 C ATOM 721 CD2 LEU A 45 19.253 5.551 -6.818 1.00 0.00 C ATOM 0 H LEU A 45 20.091 2.393 -4.688 1.00 0.00 H new ATOM 0 HA LEU A 45 21.438 4.869 -5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 45 19.032 4.251 -3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 45 19.566 5.862 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 45 18.526 3.740 -5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.582 5.262 -6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.742 4.685 -4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.255 6.335 -4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.596 5.495 -7.686 1.00 0.00 H new ATOM 0 HD22 LEU A 45 19.397 6.595 -6.538 1.00 0.00 H new ATOM 0 HD23 LEU A 45 20.217 5.105 -7.063 1.00 0.00 H new ATOM 733 N ILE A 46 21.848 3.496 -2.377 1.00 0.00 N ATOM 734 CA ILE A 46 22.737 3.500 -1.191 1.00 0.00 C ATOM 735 C ILE A 46 24.202 3.541 -1.652 1.00 0.00 C ATOM 736 O ILE A 46 24.952 4.444 -1.275 1.00 0.00 O ATOM 737 CB ILE A 46 22.500 2.238 -0.265 1.00 0.00 C ATOM 738 CG1 ILE A 46 21.086 2.296 0.399 1.00 0.00 C ATOM 739 CG2 ILE A 46 23.614 2.080 0.811 1.00 0.00 C ATOM 740 CD1 ILE A 46 20.732 1.089 1.269 1.00 0.00 C ATOM 0 H ILE A 46 21.287 2.649 -2.469 1.00 0.00 H new ATOM 0 HA ILE A 46 22.503 4.386 -0.601 1.00 0.00 H new ATOM 0 HB ILE A 46 22.547 1.356 -0.904 1.00 0.00 H new ATOM 0 HG12 ILE A 46 21.025 3.196 1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 46 20.336 2.392 -0.386 1.00 0.00 H new ATOM 0 HG21 ILE A 46 23.408 1.201 1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.580 1.962 0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 46 23.635 2.966 1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 46 19.733 1.221 1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 46 20.755 0.184 0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 46 21.455 1.001 2.080 1.00 0.00 H new ATOM 752 N GLU A 47 24.564 2.578 -2.514 1.00 0.00 N ATOM 753 CA GLU A 47 25.940 2.413 -3.015 1.00 0.00 C ATOM 754 C GLU A 47 26.379 3.651 -3.816 1.00 0.00 C ATOM 755 O GLU A 47 27.468 4.177 -3.594 1.00 0.00 O ATOM 756 CB GLU A 47 26.037 1.146 -3.903 1.00 0.00 C ATOM 757 CG GLU A 47 27.433 0.877 -4.505 1.00 0.00 C ATOM 758 CD GLU A 47 27.498 -0.422 -5.326 1.00 0.00 C ATOM 759 OE1 GLU A 47 27.627 -1.513 -4.727 1.00 0.00 O ATOM 760 OE2 GLU A 47 27.402 -0.362 -6.567 1.00 0.00 O ATOM 0 H GLU A 47 23.910 1.889 -2.885 1.00 0.00 H new ATOM 0 HA GLU A 47 26.605 2.300 -2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.741 0.281 -3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 47 25.318 1.235 -4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.715 1.716 -5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 47 28.166 0.827 -3.699 1.00 0.00 H new ATOM 767 N ALA A 48 25.491 4.119 -4.715 1.00 0.00 N ATOM 768 CA ALA A 48 25.766 5.274 -5.601 1.00 0.00 C ATOM 769 C ALA A 48 25.965 6.557 -4.778 1.00 0.00 C ATOM 770 O ALA A 48 26.819 7.383 -5.103 1.00 0.00 O ATOM 771 CB ALA A 48 24.636 5.472 -6.624 1.00 0.00 C ATOM 0 H ALA A 48 24.566 3.711 -4.849 1.00 0.00 H new ATOM 0 HA ALA A 48 26.686 5.060 -6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.866 6.327 -7.260 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.541 4.577 -7.239 1.00 0.00 H new ATOM 0 HB3 ALA A 48 23.698 5.653 -6.099 1.00 0.00 H new ATOM 777 N PHE A 49 25.164 6.700 -3.701 1.00 0.00 N ATOM 778 CA PHE A 49 25.320 7.795 -2.720 1.00 0.00 C ATOM 779 C PHE A 49 26.727 7.745 -2.096 1.00 0.00 C ATOM 780 O PHE A 49 27.428 8.756 -2.053 1.00 0.00 O ATOM 781 CB PHE A 49 24.224 7.712 -1.618 1.00 0.00 C ATOM 782 CG PHE A 49 24.415 8.703 -0.466 1.00 0.00 C ATOM 783 CD1 PHE A 49 24.087 10.050 -0.615 1.00 0.00 C ATOM 784 CD2 PHE A 49 24.954 8.288 0.754 1.00 0.00 C ATOM 785 CE1 PHE A 49 24.292 10.947 0.418 1.00 0.00 C ATOM 786 CE2 PHE A 49 25.165 9.186 1.773 1.00 0.00 C ATOM 787 CZ PHE A 49 24.829 10.515 1.610 1.00 0.00 C ATOM 0 H PHE A 49 24.396 6.064 -3.488 1.00 0.00 H new ATOM 0 HA PHE A 49 25.200 8.747 -3.238 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.250 7.888 -2.076 1.00 0.00 H new ATOM 0 HB3 PHE A 49 24.208 6.700 -1.213 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.668 10.397 -1.548 1.00 0.00 H new ATOM 0 HD2 PHE A 49 25.208 7.248 0.898 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.031 11.987 0.289 1.00 0.00 H new ATOM 0 HE2 PHE A 49 25.595 8.850 2.705 1.00 0.00 H new ATOM 0 HZ PHE A 49 24.987 11.215 2.417 1.00 0.00 H new ATOM 797 N LEU A 50 27.130 6.541 -1.650 1.00 0.00 N ATOM 798 CA LEU A 50 28.444 6.304 -1.015 1.00 0.00 C ATOM 799 C LEU A 50 29.607 6.528 -2.013 1.00 0.00 C ATOM 800 O LEU A 50 30.712 6.871 -1.603 1.00 0.00 O ATOM 801 CB LEU A 50 28.500 4.870 -0.419 1.00 0.00 C ATOM 802 CG LEU A 50 27.454 4.558 0.700 1.00 0.00 C ATOM 803 CD1 LEU A 50 27.517 3.073 1.130 1.00 0.00 C ATOM 804 CD2 LEU A 50 27.616 5.514 1.903 1.00 0.00 C ATOM 0 H LEU A 50 26.554 5.702 -1.719 1.00 0.00 H new ATOM 0 HA LEU A 50 28.563 7.027 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.362 4.154 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 50 29.498 4.704 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 50 26.461 4.730 0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.778 2.888 1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.306 2.436 0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 50 28.512 2.847 1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 50 26.874 5.271 2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 50 28.616 5.404 2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 50 27.473 6.543 1.572 1.00 0.00 H new ATOM 816 N ASN A 51 29.343 6.326 -3.317 1.00 0.00 N ATOM 817 CA ASN A 51 30.317 6.592 -4.401 1.00 0.00 C ATOM 818 C ASN A 51 30.339 8.084 -4.806 1.00 0.00 C ATOM 819 O ASN A 51 31.304 8.540 -5.427 1.00 0.00 O ATOM 820 CB ASN A 51 30.040 5.690 -5.647 1.00 0.00 C ATOM 821 CG ASN A 51 30.555 4.256 -5.467 1.00 0.00 C ATOM 822 OD1 ASN A 51 31.741 3.990 -5.653 1.00 0.00 O ATOM 823 ND2 ASN A 51 29.678 3.314 -5.162 1.00 0.00 N ATOM 0 H ASN A 51 28.447 5.973 -3.653 1.00 0.00 H new ATOM 0 HA ASN A 51 31.302 6.342 -4.008 1.00 0.00 H new ATOM 0 HB2 ASN A 51 28.968 5.665 -5.841 1.00 0.00 H new ATOM 0 HB3 ASN A 51 30.512 6.134 -6.524 1.00 0.00 H new ATOM 0 HD21 ASN A 51 29.981 2.344 -5.077 1.00 0.00 H new ATOM 0 HD22 ASN A 51 28.699 3.558 -5.012 1.00 0.00 H new ATOM 830 N SER A 52 29.274 8.834 -4.475 1.00 0.00 N ATOM 831 CA SER A 52 29.198 10.284 -4.760 1.00 0.00 C ATOM 832 C SER A 52 29.926 11.087 -3.657 1.00 0.00 C ATOM 833 O SER A 52 30.850 11.865 -3.947 1.00 0.00 O ATOM 834 CB SER A 52 27.719 10.727 -4.889 1.00 0.00 C ATOM 835 OG SER A 52 27.068 10.031 -5.945 1.00 0.00 O ATOM 0 H SER A 52 28.448 8.461 -4.007 1.00 0.00 H new ATOM 0 HA SER A 52 29.697 10.485 -5.708 1.00 0.00 H new ATOM 0 HB2 SER A 52 27.197 10.541 -3.950 1.00 0.00 H new ATOM 0 HB3 SER A 52 27.672 11.800 -5.073 1.00 0.00 H new ATOM 0 HG SER A 52 26.943 9.093 -5.691 1.00 0.00 H new ATOM 841 N GLN A 53 29.521 10.864 -2.385 1.00 0.00 N ATOM 842 CA GLN A 53 30.112 11.565 -1.224 1.00 0.00 C ATOM 843 C GLN A 53 31.478 10.967 -0.828 1.00 0.00 C ATOM 844 O GLN A 53 32.309 11.677 -0.253 1.00 0.00 O ATOM 845 CB GLN A 53 29.101 11.634 -0.026 1.00 0.00 C ATOM 846 CG GLN A 53 28.506 10.301 0.508 1.00 0.00 C ATOM 847 CD GLN A 53 29.415 9.499 1.444 1.00 0.00 C ATOM 848 OE1 GLN A 53 30.101 8.498 0.915 1.00 0.00 O flip ATOM 849 NE2 GLN A 53 29.467 9.750 2.645 1.00 0.00 N flip ATOM 0 H GLN A 53 28.785 10.202 -2.138 1.00 0.00 H new ATOM 0 HA GLN A 53 30.312 12.595 -1.521 1.00 0.00 H new ATOM 0 HB2 GLN A 53 29.602 12.132 0.804 1.00 0.00 H new ATOM 0 HB3 GLN A 53 28.271 12.273 -0.327 1.00 0.00 H new ATOM 0 HG2 GLN A 53 27.578 10.523 1.034 1.00 0.00 H new ATOM 0 HG3 GLN A 53 28.247 9.673 -0.344 1.00 0.00 H new ATOM 0 HE21 GLN A 53 28.928 10.527 3.027 1.00 0.00 H new ATOM 0 HE22 GLN A 53 30.049 9.181 3.260 1.00 0.00 H new ATOM 858 N LYS A 54 31.698 9.678 -1.191 1.00 0.00 N ATOM 859 CA LYS A 54 32.979 8.954 -0.995 1.00 0.00 C ATOM 860 C LYS A 54 33.390 8.901 0.506 1.00 0.00 C ATOM 861 O LYS A 54 34.113 9.801 0.987 1.00 0.00 O ATOM 862 CB LYS A 54 34.095 9.563 -1.898 1.00 0.00 C ATOM 863 CG LYS A 54 33.739 9.607 -3.407 1.00 0.00 C ATOM 864 CD LYS A 54 34.780 10.376 -4.249 1.00 0.00 C ATOM 865 CE LYS A 54 34.977 11.821 -3.758 1.00 0.00 C ATOM 866 NZ LYS A 54 33.699 12.592 -3.727 1.00 0.00 N ATOM 867 OXT LYS A 54 32.978 7.953 1.203 1.00 0.00 O ATOM 0 H LYS A 54 30.980 9.105 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 54 32.836 7.919 -1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 54 34.310 10.576 -1.557 1.00 0.00 H new ATOM 0 HB3 LYS A 54 35.008 8.983 -1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 54 33.655 8.588 -3.785 1.00 0.00 H new ATOM 0 HG3 LYS A 54 32.762 10.075 -3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 54 35.734 9.849 -4.213 1.00 0.00 H new ATOM 0 HD3 LYS A 54 34.462 10.389 -5.292 1.00 0.00 H new ATOM 0 HE2 LYS A 54 35.413 11.806 -2.759 1.00 0.00 H new ATOM 0 HE3 LYS A 54 35.689 12.329 -4.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 33.844 13.522 -4.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 32.966 12.070 -4.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 33.396 12.722 -2.741 1.00 0.00 H new TER 881 LYS A 54 ATOM 882 N ALA B 1 20.232 1.534 -17.632 1.00 0.00 N ATOM 883 CA ALA B 1 20.246 2.905 -18.210 1.00 0.00 C ATOM 884 C ALA B 1 19.542 3.882 -17.258 1.00 0.00 C ATOM 885 O ALA B 1 20.172 4.778 -16.683 1.00 0.00 O ATOM 886 CB ALA B 1 19.595 2.916 -19.610 1.00 0.00 C ATOM 0 H1 ALA B 1 20.710 0.878 -18.282 1.00 0.00 H new ATOM 0 H2 ALA B 1 20.727 1.538 -16.718 1.00 0.00 H new ATOM 0 H3 ALA B 1 19.248 1.226 -17.492 1.00 0.00 H new ATOM 0 HA ALA B 1 21.280 3.228 -18.328 1.00 0.00 H new ATOM 0 HB1 ALA B 1 19.616 3.928 -20.013 1.00 0.00 H new ATOM 0 HB2 ALA B 1 20.147 2.250 -20.273 1.00 0.00 H new ATOM 0 HB3 ALA B 1 18.562 2.578 -19.533 1.00 0.00 H new ATOM 894 N ARG B 2 18.221 3.679 -17.079 1.00 0.00 N ATOM 895 CA ARG B 2 17.391 4.481 -16.166 1.00 0.00 C ATOM 896 C ARG B 2 16.401 3.555 -15.422 1.00 0.00 C ATOM 897 O ARG B 2 15.484 2.977 -16.026 1.00 0.00 O ATOM 898 CB ARG B 2 16.657 5.621 -16.950 1.00 0.00 C ATOM 899 CG ARG B 2 15.792 5.146 -18.138 1.00 0.00 C ATOM 900 CD ARG B 2 15.029 6.289 -18.838 1.00 0.00 C ATOM 901 NE ARG B 2 14.104 5.770 -19.870 1.00 0.00 N ATOM 902 CZ ARG B 2 14.022 6.190 -21.136 1.00 0.00 C ATOM 903 NH1 ARG B 2 14.848 7.125 -21.602 1.00 0.00 N ATOM 904 NH2 ARG B 2 13.113 5.661 -21.943 1.00 0.00 N ATOM 0 H ARG B 2 17.701 2.950 -17.567 1.00 0.00 H new ATOM 0 HA ARG B 2 18.024 4.965 -15.422 1.00 0.00 H new ATOM 0 HB2 ARG B 2 16.022 6.169 -16.254 1.00 0.00 H new ATOM 0 HB3 ARG B 2 17.403 6.324 -17.322 1.00 0.00 H new ATOM 0 HG2 ARG B 2 16.431 4.647 -18.866 1.00 0.00 H new ATOM 0 HG3 ARG B 2 15.075 4.406 -17.783 1.00 0.00 H new ATOM 0 HD2 ARG B 2 14.468 6.860 -18.098 1.00 0.00 H new ATOM 0 HD3 ARG B 2 15.740 6.975 -19.297 1.00 0.00 H new ATOM 0 HE ARG B 2 13.470 5.022 -19.589 1.00 0.00 H new ATOM 0 HH11 ARG B 2 15.556 7.531 -20.990 1.00 0.00 H new ATOM 0 HH12 ARG B 2 14.773 7.435 -22.571 1.00 0.00 H new ATOM 0 HH21 ARG B 2 12.482 4.938 -21.596 1.00 0.00 H new ATOM 0 HH22 ARG B 2 13.045 5.977 -22.911 1.00 0.00 H new ATOM 918 N THR B 3 16.638 3.364 -14.113 1.00 0.00 N ATOM 919 CA THR B 3 15.760 2.582 -13.235 1.00 0.00 C ATOM 920 C THR B 3 15.105 3.503 -12.192 1.00 0.00 C ATOM 921 O THR B 3 15.761 4.386 -11.614 1.00 0.00 O ATOM 922 CB THR B 3 16.546 1.429 -12.519 1.00 0.00 C ATOM 923 OG1 THR B 3 17.788 1.940 -12.015 1.00 0.00 O ATOM 924 CG2 THR B 3 16.832 0.239 -13.455 1.00 0.00 C ATOM 0 H THR B 3 17.451 3.752 -13.634 1.00 0.00 H new ATOM 0 HA THR B 3 14.986 2.126 -13.852 1.00 0.00 H new ATOM 0 HB THR B 3 15.918 1.065 -11.706 1.00 0.00 H new ATOM 0 HG1 THR B 3 17.817 1.829 -11.042 1.00 0.00 H new ATOM 0 HG21 THR B 3 17.378 -0.530 -12.909 1.00 0.00 H new ATOM 0 HG22 THR B 3 15.890 -0.173 -13.818 1.00 0.00 H new ATOM 0 HG23 THR B 3 17.430 0.577 -14.301 1.00 0.00 H new ATOM 932 N LYS B 4 13.798 3.303 -11.988 1.00 0.00 N ATOM 933 CA LYS B 4 13.019 3.997 -10.960 1.00 0.00 C ATOM 934 C LYS B 4 12.778 3.027 -9.787 1.00 0.00 C ATOM 935 O LYS B 4 11.735 2.365 -9.685 1.00 0.00 O ATOM 936 CB LYS B 4 11.703 4.563 -11.566 1.00 0.00 C ATOM 937 CG LYS B 4 10.851 3.549 -12.358 1.00 0.00 C ATOM 938 CD LYS B 4 9.484 4.125 -12.780 1.00 0.00 C ATOM 939 CE LYS B 4 8.641 3.111 -13.565 1.00 0.00 C ATOM 940 NZ LYS B 4 9.310 2.696 -14.828 1.00 0.00 N ATOM 0 H LYS B 4 13.246 2.646 -12.540 1.00 0.00 H new ATOM 0 HA LYS B 4 13.567 4.857 -10.576 1.00 0.00 H new ATOM 0 HB2 LYS B 4 11.096 4.969 -10.757 1.00 0.00 H new ATOM 0 HB3 LYS B 4 11.954 5.394 -12.225 1.00 0.00 H new ATOM 0 HG2 LYS B 4 11.399 3.235 -13.247 1.00 0.00 H new ATOM 0 HG3 LYS B 4 10.694 2.658 -11.749 1.00 0.00 H new ATOM 0 HD2 LYS B 4 8.935 4.440 -11.892 1.00 0.00 H new ATOM 0 HD3 LYS B 4 9.640 5.014 -13.391 1.00 0.00 H new ATOM 0 HE2 LYS B 4 8.458 2.233 -12.945 1.00 0.00 H new ATOM 0 HE3 LYS B 4 7.669 3.547 -13.795 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 8.650 2.133 -15.402 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 9.599 3.541 -15.361 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 10.149 2.124 -14.605 1.00 0.00 H new ATOM 954 N GLN B 5 13.804 2.904 -8.935 1.00 0.00 N ATOM 955 CA GLN B 5 13.810 1.952 -7.811 1.00 0.00 C ATOM 956 C GLN B 5 12.983 2.497 -6.627 1.00 0.00 C ATOM 957 O GLN B 5 12.963 3.708 -6.380 1.00 0.00 O ATOM 958 CB GLN B 5 15.270 1.647 -7.383 1.00 0.00 C ATOM 959 CG GLN B 5 15.425 0.485 -6.386 1.00 0.00 C ATOM 960 CD GLN B 5 14.874 -0.844 -6.907 1.00 0.00 C ATOM 961 OE1 GLN B 5 13.703 -1.175 -6.693 1.00 0.00 O ATOM 962 NE2 GLN B 5 15.708 -1.608 -7.605 1.00 0.00 N ATOM 0 H GLN B 5 14.655 3.461 -9.004 1.00 0.00 H new ATOM 0 HA GLN B 5 13.345 1.021 -8.135 1.00 0.00 H new ATOM 0 HB2 GLN B 5 15.855 1.421 -8.275 1.00 0.00 H new ATOM 0 HB3 GLN B 5 15.698 2.546 -6.940 1.00 0.00 H new ATOM 0 HG2 GLN B 5 16.481 0.362 -6.145 1.00 0.00 H new ATOM 0 HG3 GLN B 5 14.914 0.742 -5.458 1.00 0.00 H new ATOM 0 HE21 GLN B 5 16.669 -1.303 -7.762 1.00 0.00 H new ATOM 0 HE22 GLN B 5 15.387 -2.499 -7.983 1.00 0.00 H new ATOM 971 N THR B 6 12.311 1.585 -5.905 1.00 0.00 N ATOM 972 CA THR B 6 11.339 1.931 -4.855 1.00 0.00 C ATOM 973 C THR B 6 11.944 1.842 -3.435 1.00 0.00 C ATOM 974 O THR B 6 13.126 1.500 -3.241 1.00 0.00 O ATOM 975 CB THR B 6 10.074 1.004 -4.971 1.00 0.00 C ATOM 976 OG1 THR B 6 10.466 -0.373 -4.849 1.00 0.00 O ATOM 977 CG2 THR B 6 9.324 1.209 -6.307 1.00 0.00 C ATOM 0 H THR B 6 12.428 0.580 -6.035 1.00 0.00 H new ATOM 0 HA THR B 6 11.048 2.970 -5.010 1.00 0.00 H new ATOM 0 HB THR B 6 9.395 1.275 -4.162 1.00 0.00 H new ATOM 0 HG1 THR B 6 10.587 -0.596 -3.902 1.00 0.00 H new ATOM 0 HG21 THR B 6 8.458 0.548 -6.343 1.00 0.00 H new ATOM 0 HG22 THR B 6 8.994 2.245 -6.384 1.00 0.00 H new ATOM 0 HG23 THR B 6 9.991 0.978 -7.138 1.00 0.00 H new ATOM 985 N ALA B 7 11.101 2.197 -2.458 1.00 0.00 N ATOM 986 CA ALA B 7 11.381 2.088 -1.025 1.00 0.00 C ATOM 987 C ALA B 7 10.056 2.204 -0.267 1.00 0.00 C ATOM 988 O ALA B 7 9.081 2.774 -0.781 1.00 0.00 O ATOM 989 CB ALA B 7 12.369 3.166 -0.560 1.00 0.00 C ATOM 0 H ALA B 7 10.176 2.580 -2.652 1.00 0.00 H new ATOM 0 HA ALA B 7 11.848 1.124 -0.821 1.00 0.00 H new ATOM 0 HB1 ALA B 7 12.553 3.054 0.508 1.00 0.00 H new ATOM 0 HB2 ALA B 7 13.308 3.058 -1.103 1.00 0.00 H new ATOM 0 HB3 ALA B 7 11.949 4.153 -0.754 1.00 0.00 H new ATOM 995 N ARG B 8 10.024 1.660 0.949 1.00 0.00 N ATOM 996 CA ARG B 8 8.834 1.686 1.813 1.00 0.00 C ATOM 997 C ARG B 8 8.948 2.842 2.814 1.00 0.00 C ATOM 998 O ARG B 8 10.051 3.208 3.225 1.00 0.00 O ATOM 999 CB ARG B 8 8.696 0.322 2.545 1.00 0.00 C ATOM 1000 CG ARG B 8 7.471 0.158 3.479 1.00 0.00 C ATOM 1001 CD ARG B 8 6.140 0.469 2.772 1.00 0.00 C ATOM 1002 NE ARG B 8 4.966 0.019 3.546 1.00 0.00 N ATOM 1003 CZ ARG B 8 3.858 0.734 3.778 1.00 0.00 C ATOM 1004 NH1 ARG B 8 3.799 2.025 3.466 1.00 0.00 N ATOM 1005 NH2 ARG B 8 2.820 0.158 4.357 1.00 0.00 N ATOM 0 H ARG B 8 10.824 1.186 1.369 1.00 0.00 H new ATOM 0 HA ARG B 8 7.940 1.845 1.210 1.00 0.00 H new ATOM 0 HB2 ARG B 8 8.659 -0.466 1.793 1.00 0.00 H new ATOM 0 HB3 ARG B 8 9.598 0.159 3.134 1.00 0.00 H new ATOM 0 HG2 ARG B 8 7.445 -0.862 3.862 1.00 0.00 H new ATOM 0 HG3 ARG B 8 7.584 0.818 4.339 1.00 0.00 H new ATOM 0 HD2 ARG B 8 6.067 1.543 2.600 1.00 0.00 H new ATOM 0 HD3 ARG B 8 6.132 -0.012 1.794 1.00 0.00 H new ATOM 0 HE ARG B 8 5.002 -0.921 3.939 1.00 0.00 H new ATOM 0 HH11 ARG B 8 4.605 2.485 3.043 1.00 0.00 H new ATOM 0 HH12 ARG B 8 2.947 2.556 3.649 1.00 0.00 H new ATOM 0 HH21 ARG B 8 2.866 -0.825 4.624 1.00 0.00 H new ATOM 0 HH22 ARG B 8 1.973 0.696 4.537 1.00 0.00 H new HETATM 1019 N M3L B 9 7.793 3.443 3.153 1.00 0.00 N HETATM 1020 CA M3L B 9 7.684 4.412 4.251 1.00 0.00 C HETATM 1021 CB M3L B 9 6.573 5.448 3.950 1.00 0.00 C HETATM 1022 CG M3L B 9 6.802 6.226 2.637 1.00 0.00 C HETATM 1023 CD M3L B 9 5.844 7.422 2.458 1.00 0.00 C HETATM 1024 CE M3L B 9 6.128 8.210 1.153 1.00 0.00 C HETATM 1025 NZ M3L B 9 5.355 9.540 1.043 1.00 0.00 N HETATM 1026 C M3L B 9 7.409 3.675 5.573 1.00 0.00 C HETATM 1027 O M3L B 9 6.776 2.613 5.566 1.00 0.00 O HETATM 1028 CM1 M3L B 9 5.694 10.206 -0.294 1.00 0.00 C HETATM 1029 CM2 M3L B 9 5.769 10.486 2.184 1.00 0.00 C HETATM 1030 CM3 M3L B 9 3.847 9.279 1.107 1.00 0.00 C HETATM 0 HM33 M3L B 9 3.555 8.627 0.284 1.00 0.00 H new HETATM 0 HM32 M3L B 9 3.601 8.800 2.054 1.00 0.00 H new HETATM 0 HM31 M3L B 9 3.310 10.225 1.028 1.00 0.00 H new HETATM 0 HM23 M3L B 9 5.544 10.019 3.143 1.00 0.00 H new HETATM 0 HM22 M3L B 9 6.838 10.687 2.120 1.00 0.00 H new HETATM 0 HM21 M3L B 9 5.218 11.423 2.098 1.00 0.00 H new HETATM 0 HM13 M3L B 9 6.766 10.399 -0.343 1.00 0.00 H new HETATM 0 HM12 M3L B 9 5.407 9.546 -1.112 1.00 0.00 H new HETATM 0 HM11 M3L B 9 5.151 11.147 -0.380 1.00 0.00 H new HETATM 0 HG3 M3L B 9 7.830 6.587 2.612 1.00 0.00 H new HETATM 0 HG2 M3L B 9 6.682 5.545 1.794 1.00 0.00 H new HETATM 0 HE3 M3L B 9 7.196 8.416 1.090 1.00 0.00 H new HETATM 0 HE2 M3L B 9 5.874 7.582 0.299 1.00 0.00 H new HETATM 0 HD3 M3L B 9 4.815 7.063 2.447 1.00 0.00 H new HETATM 0 HD2 M3L B 9 5.938 8.092 3.313 1.00 0.00 H new HETATM 0 HB3 M3L B 9 5.613 4.935 3.897 1.00 0.00 H new HETATM 0 HB2 M3L B 9 6.512 6.155 4.777 1.00 0.00 H new HETATM 0 HA M3L B 9 8.627 4.951 4.346 1.00 0.00 H new HETATM 0 H M3L B 9 7.179 3.520 2.342 1.00 0.00 H new ATOM 1050 N SER B 10 7.917 4.238 6.690 1.00 0.00 N ATOM 1051 CA SER B 10 7.790 3.654 8.037 1.00 0.00 C ATOM 1052 C SER B 10 6.298 3.412 8.398 1.00 0.00 C ATOM 1053 O SER B 10 5.594 4.322 8.854 1.00 0.00 O ATOM 1054 CB SER B 10 8.480 4.573 9.074 1.00 0.00 C ATOM 1055 OG SER B 10 8.427 4.024 10.381 1.00 0.00 O ATOM 0 H SER B 10 8.431 5.119 6.679 1.00 0.00 H new ATOM 0 HA SER B 10 8.288 2.684 8.051 1.00 0.00 H new ATOM 0 HB2 SER B 10 9.520 4.729 8.787 1.00 0.00 H new ATOM 0 HB3 SER B 10 7.999 5.551 9.071 1.00 0.00 H new ATOM 0 HG SER B 10 8.873 4.630 11.009 1.00 0.00 H new ATOM 1061 N THR B 11 5.835 2.180 8.115 1.00 0.00 N ATOM 1062 CA THR B 11 4.429 1.770 8.240 1.00 0.00 C ATOM 1063 C THR B 11 4.034 1.589 9.725 1.00 0.00 C ATOM 1064 O THR B 11 4.104 0.487 10.282 1.00 0.00 O ATOM 1065 CB THR B 11 4.156 0.473 7.381 1.00 0.00 C ATOM 1066 OG1 THR B 11 2.846 -0.053 7.630 1.00 0.00 O ATOM 1067 CG2 THR B 11 5.203 -0.635 7.598 1.00 0.00 C ATOM 0 H THR B 11 6.442 1.429 7.787 1.00 0.00 H new ATOM 0 HA THR B 11 3.794 2.562 7.843 1.00 0.00 H new ATOM 0 HB THR B 11 4.230 0.794 6.342 1.00 0.00 H new ATOM 0 HG1 THR B 11 2.706 -0.854 7.083 1.00 0.00 H new ATOM 0 HG21 THR B 11 4.955 -1.496 6.978 1.00 0.00 H new ATOM 0 HG22 THR B 11 6.190 -0.262 7.323 1.00 0.00 H new ATOM 0 HG23 THR B 11 5.207 -0.932 8.647 1.00 0.00 H new ATOM 1075 N GLY B 12 3.662 2.717 10.356 1.00 0.00 N ATOM 1076 CA GLY B 12 3.228 2.740 11.748 1.00 0.00 C ATOM 1077 C GLY B 12 4.371 2.469 12.728 1.00 0.00 C ATOM 1078 O GLY B 12 5.021 3.413 13.205 1.00 0.00 O ATOM 0 H GLY B 12 3.657 3.633 9.908 1.00 0.00 H new ATOM 0 HA2 GLY B 12 2.787 3.712 11.971 1.00 0.00 H new ATOM 0 HA3 GLY B 12 2.446 1.994 11.893 1.00 0.00 H new ATOM 1082 N GLY B 13 4.635 1.168 12.992 1.00 0.00 N ATOM 1083 CA GLY B 13 5.574 0.733 14.035 1.00 0.00 C ATOM 1084 C GLY B 13 4.935 0.858 15.408 1.00 0.00 C ATOM 1085 O GLY B 13 4.648 -0.139 16.078 1.00 0.00 O ATOM 0 H GLY B 13 4.200 0.397 12.485 1.00 0.00 H new ATOM 0 HA2 GLY B 13 5.871 -0.301 13.858 1.00 0.00 H new ATOM 0 HA3 GLY B 13 6.480 1.337 13.992 1.00 0.00 H new ATOM 1089 N LYS B 14 4.695 2.111 15.791 1.00 0.00 N ATOM 1090 CA LYS B 14 3.904 2.497 16.955 1.00 0.00 C ATOM 1091 C LYS B 14 3.434 3.938 16.705 1.00 0.00 C ATOM 1092 O LYS B 14 4.177 4.893 16.953 1.00 0.00 O ATOM 1093 CB LYS B 14 4.744 2.371 18.257 1.00 0.00 C ATOM 1094 CG LYS B 14 4.031 2.854 19.545 1.00 0.00 C ATOM 1095 CD LYS B 14 4.916 2.717 20.802 1.00 0.00 C ATOM 1096 CE LYS B 14 6.274 3.430 20.656 1.00 0.00 C ATOM 1097 NZ LYS B 14 7.081 3.332 21.890 1.00 0.00 N ATOM 0 H LYS B 14 5.060 2.914 15.279 1.00 0.00 H new ATOM 0 HA LYS B 14 3.044 1.841 17.091 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.030 1.327 18.388 1.00 0.00 H new ATOM 0 HB3 LYS B 14 5.665 2.941 18.134 1.00 0.00 H new ATOM 0 HG2 LYS B 14 3.738 3.897 19.424 1.00 0.00 H new ATOM 0 HG3 LYS B 14 3.115 2.280 19.686 1.00 0.00 H new ATOM 0 HD2 LYS B 14 4.385 3.128 21.661 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.086 1.660 21.008 1.00 0.00 H new ATOM 0 HE2 LYS B 14 6.827 2.992 19.825 1.00 0.00 H new ATOM 0 HE3 LYS B 14 6.109 4.479 20.412 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 7.987 3.824 21.752 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 6.565 3.772 22.678 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 7.260 2.331 22.109 1.00 0.00 H new ATOM 1111 N ALA B 15 2.228 4.078 16.135 1.00 0.00 N ATOM 1112 CA ALA B 15 1.680 5.365 15.685 1.00 0.00 C ATOM 1113 C ALA B 15 0.178 5.433 16.030 1.00 0.00 C ATOM 1114 O ALA B 15 -0.222 6.260 16.878 1.00 0.00 O ATOM 1115 CB ALA B 15 1.922 5.531 14.172 1.00 0.00 C ATOM 1116 OXT ALA B 15 -0.588 4.612 15.493 1.00 0.00 O ATOM 0 H ALA B 15 1.599 3.292 15.972 1.00 0.00 H new ATOM 0 HA ALA B 15 2.183 6.185 16.197 1.00 0.00 H new ATOM 0 HB1 ALA B 15 1.515 6.486 13.841 1.00 0.00 H new ATOM 0 HB2 ALA B 15 2.993 5.503 13.970 1.00 0.00 H new ATOM 0 HB3 ALA B 15 1.430 4.721 13.634 1.00 0.00 H new TER 1122 ALA B 15