USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 960 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 93 ASN : amide:sc= 0.303 K(o=0.41,f=-0.11) USER MOD Set 1.2: A 97 LYS NZ :NH3+ 141:sc= 0.111 (180deg=0) USER MOD Set 2.1: A 15 HIS :FLIP no HE2:sc= -0.0978 F(o=0.19,f=1.1) USER MOD Set 2.2: A 89 THR OG1 : rot 58:sc= 1.22 USER MOD Set 3.1: A 65 ASN :FLIP amide:sc= 0.489 F(o=-8.1!,f=-2.3) USER MOD Set 3.2: A 69 THR OG1 : rot 83:sc= -0.251 USER MOD Set 3.3: A 74 ASN : amide:sc= -2.51 K(o=-2.3,f=-3.2) USER MOD Set 4.1: A 51 THR OG1 : rot 173:sc= 0.0113 USER MOD Set 4.2: A 53 TYR OH : rot 30:sc= 0.0122 USER MOD Set 5.1: A 24 SER OG : rot -39:sc= 0.969 USER MOD Set 5.2: A 27 ASN :FLIP amide:sc= -0.144 F(o=-4!,f=0.82) USER MOD Set 6.1: A 23 TYR OH : rot -163:sc= 0.163 USER MOD Set 6.2: A 106 ASN : amide:sc= 0.0753 X(o=0.24,f=-0.17) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -169:sc= -12! (180deg=-12.1!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 20 TYR OH : rot 15:sc= -0.313 USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= 1.06 (180deg=1.04) USER MOD Single : A 36 SER OG : rot -101:sc= -1.07! USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.199 K(o=-0.2,f=-4.4!) USER MOD Single : A 40 THR OG1 : rot 93:sc= 1.22 USER MOD Single : A 41 GLN : amide:sc= -0.0527 X(o=-0.053,f=-0.39) USER MOD Single : A 43 THR OG1 : rot -14:sc= 0.343! USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0.22) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 39:sc= 0.629 USER MOD Single : A 57 GLN : amide:sc= -1.77! C(o=-1.8!,f=-2.2!) USER MOD Single : A 59 ASN : amide:sc= -2.01! C(o=-2!,f=-6.1!) USER MOD Single : A 60 SER OG : rot 121:sc= 0.847 USER MOD Single : A 72 SER OG : rot 84:sc= -1.36! USER MOD Single : A 77 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -44:sc= 0.351 USER MOD Single : A 91 SER OG : rot 180:sc= -0.0289 USER MOD Single : A 96 LYS NZ :NH3+ -126:sc= -0.0249 (180deg=-0.142) USER MOD Single : A 100 SER OG : rot 180:sc= -1.01 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 105 MET CE :methyl -136:sc= -4.51! (180deg=-6.05!) USER MOD Single : A 113 ASN : amide:sc= -0.0102 K(o=-0.01,f=-1.2) USER MOD Single : A 116 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0534) USER MOD Single : A 118 THR OG1 : rot -58:sc= 0.937 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.665 -10.928 2.130 1.00 0.00 N ATOM 2 CA LYS A 1 -5.551 -11.504 1.333 1.00 0.00 C ATOM 3 C LYS A 1 -4.577 -10.420 0.881 1.00 0.00 C ATOM 4 O LYS A 1 -4.752 -9.818 -0.176 1.00 0.00 O ATOM 5 CB LYS A 1 -6.142 -12.221 0.117 1.00 0.00 C ATOM 6 CG LYS A 1 -5.585 -13.618 -0.096 1.00 0.00 C ATOM 7 CD LYS A 1 -4.851 -13.729 -1.423 1.00 0.00 C ATOM 8 CE LYS A 1 -3.346 -13.630 -1.237 1.00 0.00 C ATOM 9 NZ LYS A 1 -2.683 -14.959 -1.352 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.311 -11.688 2.424 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.281 -10.456 2.973 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.184 -10.236 1.552 1.00 0.00 H new ATOM 0 HA LYS A 1 -4.995 -12.208 1.953 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.224 -12.284 0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.952 -11.623 -0.774 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.906 -13.868 0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.398 -14.343 -0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.098 -14.678 -1.898 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -5.189 -12.939 -2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -2.932 -12.952 -1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -3.129 -13.199 -0.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -1.658 -14.848 -1.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.059 -15.599 -0.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -2.869 -15.359 -2.294 1.00 0.00 H new ATOM 25 N VAL A 2 -3.551 -10.179 1.692 1.00 0.00 N ATOM 26 CA VAL A 2 -2.547 -9.169 1.378 1.00 0.00 C ATOM 27 C VAL A 2 -1.403 -9.769 0.562 1.00 0.00 C ATOM 28 O VAL A 2 -1.068 -10.944 0.718 1.00 0.00 O ATOM 29 CB VAL A 2 -1.978 -8.530 2.667 1.00 0.00 C ATOM 30 CG1 VAL A 2 -0.748 -7.686 2.369 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.035 -7.685 3.357 1.00 0.00 C ATOM 0 H VAL A 2 -3.393 -10.670 2.572 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.039 -8.397 0.787 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.682 -9.340 3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.372 -7.251 3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.024 -8.313 1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.013 -6.888 1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.615 -7.244 4.261 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.362 -6.892 2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.887 -8.312 3.621 1.00 0.00 H new ATOM 41 N PHE A 3 -0.793 -8.950 -0.290 1.00 0.00 N ATOM 42 CA PHE A 3 0.328 -9.383 -1.110 1.00 0.00 C ATOM 43 C PHE A 3 1.542 -9.692 -0.246 1.00 0.00 C ATOM 44 O PHE A 3 1.612 -9.300 0.919 1.00 0.00 O ATOM 45 CB PHE A 3 0.715 -8.284 -2.100 1.00 0.00 C ATOM 46 CG PHE A 3 -0.053 -8.302 -3.386 1.00 0.00 C ATOM 47 CD1 PHE A 3 0.289 -9.178 -4.401 1.00 0.00 C ATOM 48 CD2 PHE A 3 -1.105 -7.427 -3.584 1.00 0.00 C ATOM 49 CE1 PHE A 3 -0.410 -9.184 -5.591 1.00 0.00 C ATOM 50 CE2 PHE A 3 -1.806 -7.425 -4.771 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.460 -8.304 -5.777 1.00 0.00 C ATOM 0 H PHE A 3 -1.061 -7.976 -0.429 1.00 0.00 H new ATOM 0 HA PHE A 3 0.018 -10.281 -1.644 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.572 -7.315 -1.621 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.778 -8.375 -2.326 1.00 0.00 H new ATOM 0 HD1 PHE A 3 1.111 -9.864 -4.261 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -1.381 -6.737 -2.800 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.137 -9.875 -6.375 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.625 -6.736 -4.914 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.008 -8.304 -6.708 1.00 0.00 H new ATOM 61 N GLY A 4 2.505 -10.376 -0.842 1.00 0.00 N ATOM 62 CA GLY A 4 3.727 -10.711 -0.143 1.00 0.00 C ATOM 63 C GLY A 4 4.796 -9.663 -0.373 1.00 0.00 C ATOM 64 O GLY A 4 4.767 -8.960 -1.384 1.00 0.00 O ATOM 0 H GLY A 4 2.461 -10.708 -1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.525 -10.800 0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.088 -11.682 -0.481 1.00 0.00 H new ATOM 68 N ARG A 5 5.732 -9.542 0.560 1.00 0.00 N ATOM 69 CA ARG A 5 6.799 -8.557 0.434 1.00 0.00 C ATOM 70 C ARG A 5 7.496 -8.684 -0.908 1.00 0.00 C ATOM 71 O ARG A 5 7.446 -7.768 -1.729 1.00 0.00 O ATOM 72 CB ARG A 5 7.810 -8.708 1.573 1.00 0.00 C ATOM 73 CG ARG A 5 7.237 -8.386 2.943 1.00 0.00 C ATOM 74 CD ARG A 5 8.290 -7.785 3.859 1.00 0.00 C ATOM 75 NE ARG A 5 9.454 -8.655 4.002 1.00 0.00 N ATOM 76 CZ ARG A 5 9.489 -9.715 4.805 1.00 0.00 C ATOM 77 NH1 ARG A 5 8.428 -10.035 5.535 1.00 0.00 N ATOM 78 NH2 ARG A 5 10.585 -10.457 4.878 1.00 0.00 N ATOM 0 H ARG A 5 5.774 -10.109 1.407 1.00 0.00 H new ATOM 0 HA ARG A 5 6.351 -7.565 0.496 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.189 -9.730 1.578 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.661 -8.054 1.381 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.405 -7.689 2.836 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.836 -9.294 3.394 1.00 0.00 H new ATOM 0 HD2 ARG A 5 8.606 -6.820 3.463 1.00 0.00 H new ATOM 0 HD3 ARG A 5 7.853 -7.600 4.840 1.00 0.00 H new ATOM 0 HE ARG A 5 10.287 -8.438 3.455 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.582 -9.468 5.481 1.00 0.00 H new ATOM 0 HH12 ARG A 5 8.458 -10.848 6.150 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.403 -10.215 4.318 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.611 -11.270 5.494 1.00 0.00 H new ATOM 92 N CYS A 6 8.140 -9.819 -1.140 1.00 0.00 N ATOM 93 CA CYS A 6 8.828 -10.035 -2.397 1.00 0.00 C ATOM 94 C CYS A 6 7.866 -10.526 -3.464 1.00 0.00 C ATOM 95 O CYS A 6 8.004 -10.171 -4.629 1.00 0.00 O ATOM 96 CB CYS A 6 9.975 -11.017 -2.238 1.00 0.00 C ATOM 97 SG CYS A 6 10.824 -10.919 -0.630 1.00 0.00 S ATOM 0 H CYS A 6 8.198 -10.595 -0.480 1.00 0.00 H new ATOM 0 HA CYS A 6 9.240 -9.076 -2.711 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.594 -12.029 -2.374 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.702 -10.841 -3.031 1.00 0.00 H new ATOM 102 N GLU A 7 6.884 -11.333 -3.066 1.00 0.00 N ATOM 103 CA GLU A 7 5.904 -11.834 -4.020 1.00 0.00 C ATOM 104 C GLU A 7 5.418 -10.676 -4.869 1.00 0.00 C ATOM 105 O GLU A 7 5.467 -10.719 -6.101 1.00 0.00 O ATOM 106 CB GLU A 7 4.730 -12.497 -3.296 1.00 0.00 C ATOM 107 CG GLU A 7 4.360 -13.859 -3.857 1.00 0.00 C ATOM 108 CD GLU A 7 4.368 -14.947 -2.800 1.00 0.00 C ATOM 109 OE1 GLU A 7 5.437 -15.180 -2.196 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.306 -15.565 -2.576 1.00 0.00 O ATOM 0 H GLU A 7 6.749 -11.648 -2.105 1.00 0.00 H new ATOM 0 HA GLU A 7 6.368 -12.588 -4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.979 -12.604 -2.240 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.861 -11.841 -3.354 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.370 -13.805 -4.310 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.059 -14.123 -4.650 1.00 0.00 H new ATOM 117 N LEU A 8 4.987 -9.620 -4.193 1.00 0.00 N ATOM 118 CA LEU A 8 4.533 -8.430 -4.878 1.00 0.00 C ATOM 119 C LEU A 8 5.686 -7.798 -5.639 1.00 0.00 C ATOM 120 O LEU A 8 5.508 -7.379 -6.776 1.00 0.00 O ATOM 121 CB LEU A 8 3.950 -7.405 -3.899 1.00 0.00 C ATOM 122 CG LEU A 8 4.021 -5.950 -4.383 1.00 0.00 C ATOM 123 CD1 LEU A 8 2.660 -5.468 -4.859 1.00 0.00 C ATOM 124 CD2 LEU A 8 4.558 -5.041 -3.288 1.00 0.00 C ATOM 0 H LEU A 8 4.944 -9.568 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 8 3.747 -8.727 -5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.908 -7.659 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.480 -7.485 -2.950 1.00 0.00 H new ATOM 0 HG LEU A 8 4.709 -5.911 -5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.738 -4.434 -5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.320 -6.095 -5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.945 -5.529 -4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.599 -4.015 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.901 -5.090 -2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.559 -5.365 -3.004 1.00 0.00 H new ATOM 136 N ALA A 9 6.873 -7.738 -5.018 1.00 0.00 N ATOM 137 CA ALA A 9 8.032 -7.139 -5.676 1.00 0.00 C ATOM 138 C ALA A 9 8.304 -7.791 -7.022 1.00 0.00 C ATOM 139 O ALA A 9 8.404 -7.103 -8.034 1.00 0.00 O ATOM 140 CB ALA A 9 9.257 -7.219 -4.787 1.00 0.00 C ATOM 0 H ALA A 9 7.050 -8.091 -4.078 1.00 0.00 H new ATOM 0 HA ALA A 9 7.803 -6.088 -5.854 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.107 -6.767 -5.298 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.067 -6.685 -3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.479 -8.263 -4.567 1.00 0.00 H new ATOM 146 N ALA A 10 8.411 -9.116 -7.035 1.00 0.00 N ATOM 147 CA ALA A 10 8.653 -9.841 -8.272 1.00 0.00 C ATOM 148 C ALA A 10 7.653 -9.398 -9.327 1.00 0.00 C ATOM 149 O ALA A 10 8.008 -9.184 -10.487 1.00 0.00 O ATOM 150 CB ALA A 10 8.559 -11.341 -8.039 1.00 0.00 C ATOM 0 H ALA A 10 8.334 -9.705 -6.206 1.00 0.00 H new ATOM 0 HA ALA A 10 9.660 -9.618 -8.624 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.743 -11.867 -8.976 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.303 -11.642 -7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.563 -11.591 -7.672 1.00 0.00 H new ATOM 156 N ALA A 11 6.400 -9.247 -8.909 1.00 0.00 N ATOM 157 CA ALA A 11 5.351 -8.809 -9.817 1.00 0.00 C ATOM 158 C ALA A 11 5.591 -7.383 -10.267 1.00 0.00 C ATOM 159 O ALA A 11 5.384 -7.031 -11.428 1.00 0.00 O ATOM 160 CB ALA A 11 3.982 -8.950 -9.168 1.00 0.00 C ATOM 0 H ALA A 11 6.090 -9.421 -7.953 1.00 0.00 H new ATOM 0 HA ALA A 11 5.375 -9.450 -10.698 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.213 -8.617 -9.865 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.808 -9.994 -8.908 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.943 -8.340 -8.265 1.00 0.00 H new ATOM 166 N MET A 12 6.034 -6.578 -9.329 1.00 0.00 N ATOM 167 CA MET A 12 6.326 -5.168 -9.584 1.00 0.00 C ATOM 168 C MET A 12 7.419 -5.030 -10.632 1.00 0.00 C ATOM 169 O MET A 12 7.275 -4.281 -11.597 1.00 0.00 O ATOM 170 CB MET A 12 6.762 -4.466 -8.301 1.00 0.00 C ATOM 171 CG MET A 12 5.863 -4.750 -7.110 1.00 0.00 C ATOM 172 SD MET A 12 4.696 -3.420 -6.776 1.00 0.00 S ATOM 173 CE MET A 12 5.797 -2.014 -6.777 1.00 0.00 C ATOM 0 H MET A 12 6.205 -6.872 -8.367 1.00 0.00 H new ATOM 0 HA MET A 12 5.414 -4.699 -9.953 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.779 -4.773 -8.058 1.00 0.00 H new ATOM 0 HB3 MET A 12 6.787 -3.391 -8.477 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.312 -5.673 -7.290 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.480 -4.914 -6.227 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.271 -1.140 -6.394 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.658 -2.226 -6.143 1.00 0.00 H new ATOM 0 HE3 MET A 12 6.135 -1.817 -7.794 1.00 0.00 H new ATOM 183 N LYS A 13 8.510 -5.768 -10.438 1.00 0.00 N ATOM 184 CA LYS A 13 9.623 -5.736 -11.373 1.00 0.00 C ATOM 185 C LYS A 13 9.106 -6.014 -12.771 1.00 0.00 C ATOM 186 O LYS A 13 9.485 -5.346 -13.735 1.00 0.00 O ATOM 187 CB LYS A 13 10.682 -6.770 -10.984 1.00 0.00 C ATOM 188 CG LYS A 13 12.025 -6.548 -11.661 1.00 0.00 C ATOM 189 CD LYS A 13 13.179 -6.788 -10.701 1.00 0.00 C ATOM 190 CE LYS A 13 14.127 -7.855 -11.226 1.00 0.00 C ATOM 191 NZ LYS A 13 15.337 -7.260 -11.858 1.00 0.00 N ATOM 0 H LYS A 13 8.643 -6.393 -9.643 1.00 0.00 H new ATOM 0 HA LYS A 13 10.087 -4.750 -11.345 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.821 -6.747 -9.903 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.317 -7.765 -11.237 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.117 -7.217 -12.517 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.076 -5.529 -12.045 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.726 -5.858 -10.548 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.789 -7.092 -9.730 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.429 -8.507 -10.407 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.606 -8.477 -11.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.958 -8.020 -12.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.051 -6.657 -12.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.848 -6.687 -11.157 1.00 0.00 H new ATOM 205 N ARG A 14 8.220 -6.998 -12.867 1.00 0.00 N ATOM 206 CA ARG A 14 7.624 -7.361 -14.137 1.00 0.00 C ATOM 207 C ARG A 14 6.761 -6.216 -14.638 1.00 0.00 C ATOM 208 O ARG A 14 6.699 -5.950 -15.838 1.00 0.00 O ATOM 209 CB ARG A 14 6.785 -8.632 -13.994 1.00 0.00 C ATOM 210 CG ARG A 14 7.613 -9.907 -13.955 1.00 0.00 C ATOM 211 CD ARG A 14 7.165 -10.894 -15.021 1.00 0.00 C ATOM 212 NE ARG A 14 8.052 -10.886 -16.181 1.00 0.00 N ATOM 213 CZ ARG A 14 7.622 -10.874 -17.439 1.00 0.00 C ATOM 214 NH1 ARG A 14 6.322 -10.870 -17.699 1.00 0.00 N ATOM 215 NH2 ARG A 14 8.493 -10.868 -18.439 1.00 0.00 N ATOM 0 H ARG A 14 7.901 -7.557 -12.076 1.00 0.00 H new ATOM 0 HA ARG A 14 8.418 -7.556 -14.858 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.193 -8.565 -13.082 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.083 -8.690 -14.826 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.665 -9.664 -14.102 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.527 -10.368 -12.971 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.133 -11.897 -14.596 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.151 -10.650 -15.338 1.00 0.00 H new ATOM 0 HE ARG A 14 9.059 -10.890 -16.017 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.649 -10.876 -16.933 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.995 -10.861 -18.665 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.494 -10.873 -18.243 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.162 -10.859 -19.404 1.00 0.00 H new ATOM 229 N HIS A 15 6.070 -5.556 -13.709 1.00 0.00 N ATOM 230 CA HIS A 15 5.181 -4.459 -14.051 1.00 0.00 C ATOM 231 C HIS A 15 5.951 -3.184 -14.365 1.00 0.00 C ATOM 232 O HIS A 15 5.368 -2.216 -14.855 1.00 0.00 O ATOM 233 CB HIS A 15 4.221 -4.191 -12.893 1.00 0.00 C ATOM 234 CG HIS A 15 3.148 -5.223 -12.738 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.935 -6.393 -13.388 1.00 0.00 N flip ATOM 236 CD2 HIS A 15 2.130 -5.109 -11.815 1.00 0.00 C flip ATOM 237 CE1 HIS A 15 1.804 -6.956 -12.849 1.00 0.00 C flip ATOM 238 NE2 HIS A 15 1.339 -6.161 -11.903 1.00 0.00 N flip ATOM 0 H HIS A 15 6.113 -5.767 -12.712 1.00 0.00 H new ATOM 0 HA HIS A 15 4.626 -4.751 -14.943 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.793 -4.135 -11.967 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.755 -3.217 -13.040 1.00 0.00 H new ATOM 0 HD1 HIS A 15 3.507 -6.782 -14.137 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.000 -4.287 -11.127 1.00 0.00 H new ATOM 0 HE1 HIS A 15 1.366 -7.896 -13.150 1.00 0.00 H new ATOM 247 N GLY A 16 7.264 -3.185 -14.140 1.00 0.00 N ATOM 248 CA GLY A 16 8.059 -2.022 -14.472 1.00 0.00 C ATOM 249 C GLY A 16 8.106 -0.938 -13.410 1.00 0.00 C ATOM 250 O GLY A 16 8.393 0.212 -13.740 1.00 0.00 O ATOM 0 H GLY A 16 7.784 -3.965 -13.737 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.078 -2.347 -14.680 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.669 -1.588 -15.393 1.00 0.00 H new ATOM 254 N LEU A 17 7.839 -1.257 -12.141 1.00 0.00 N ATOM 255 CA LEU A 17 7.886 -0.217 -11.121 1.00 0.00 C ATOM 256 C LEU A 17 9.320 0.038 -10.697 1.00 0.00 C ATOM 257 O LEU A 17 9.617 1.001 -9.993 1.00 0.00 O ATOM 258 CB LEU A 17 7.021 -0.564 -9.905 1.00 0.00 C ATOM 259 CG LEU A 17 5.678 -1.258 -10.188 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.593 -0.700 -9.282 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.246 -1.111 -11.643 1.00 0.00 C ATOM 0 H LEU A 17 7.597 -2.190 -11.808 1.00 0.00 H new ATOM 0 HA LEU A 17 7.476 0.692 -11.561 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.604 -1.207 -9.245 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.820 0.356 -9.357 1.00 0.00 H new ATOM 0 HG LEU A 17 5.822 -2.319 -9.986 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.649 -1.201 -9.494 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.867 -0.868 -8.240 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.484 0.370 -9.461 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.293 -1.618 -11.792 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.137 -0.054 -11.885 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.999 -1.556 -12.293 1.00 0.00 H new ATOM 273 N ASP A 18 10.204 -0.821 -11.158 1.00 0.00 N ATOM 274 CA ASP A 18 11.626 -0.694 -10.858 1.00 0.00 C ATOM 275 C ASP A 18 12.229 0.420 -11.704 1.00 0.00 C ATOM 276 O ASP A 18 12.692 0.181 -12.820 1.00 0.00 O ATOM 277 CB ASP A 18 12.352 -2.016 -11.121 1.00 0.00 C ATOM 278 CG ASP A 18 13.860 -1.869 -11.067 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.378 -1.450 -10.011 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.523 -2.173 -12.081 1.00 0.00 O ATOM 0 H ASP A 18 9.968 -1.621 -11.745 1.00 0.00 H new ATOM 0 HA ASP A 18 11.744 -0.446 -9.803 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.035 -2.754 -10.384 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.062 -2.398 -12.100 1.00 0.00 H new ATOM 285 N ASN A 19 12.170 1.642 -11.171 1.00 0.00 N ATOM 286 CA ASN A 19 12.661 2.837 -11.860 1.00 0.00 C ATOM 287 C ASN A 19 11.566 3.387 -12.769 1.00 0.00 C ATOM 288 O ASN A 19 11.822 3.811 -13.895 1.00 0.00 O ATOM 289 CB ASN A 19 13.931 2.545 -12.668 1.00 0.00 C ATOM 290 CG ASN A 19 14.892 3.717 -12.679 1.00 0.00 C ATOM 291 OD1 ASN A 19 14.493 4.861 -12.895 1.00 0.00 O ATOM 292 ND2 ASN A 19 16.170 3.438 -12.446 1.00 0.00 N ATOM 0 H ASN A 19 11.780 1.831 -10.248 1.00 0.00 H new ATOM 0 HA ASN A 19 12.920 3.582 -11.108 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.432 1.672 -12.249 1.00 0.00 H new ATOM 0 HB3 ASN A 19 13.657 2.294 -13.693 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.863 4.187 -12.442 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.458 2.475 -12.271 1.00 0.00 H new ATOM 299 N TYR A 20 10.335 3.357 -12.258 1.00 0.00 N ATOM 300 CA TYR A 20 9.174 3.832 -13.009 1.00 0.00 C ATOM 301 C TYR A 20 8.934 5.309 -12.749 1.00 0.00 C ATOM 302 O TYR A 20 8.811 5.733 -11.600 1.00 0.00 O ATOM 303 CB TYR A 20 7.926 3.029 -12.647 1.00 0.00 C ATOM 304 CG TYR A 20 6.793 3.208 -13.632 1.00 0.00 C ATOM 305 CD1 TYR A 20 6.776 2.513 -14.834 1.00 0.00 C ATOM 306 CD2 TYR A 20 5.744 4.078 -13.361 1.00 0.00 C ATOM 307 CE1 TYR A 20 5.745 2.678 -15.740 1.00 0.00 C ATOM 308 CE2 TYR A 20 4.709 4.247 -14.261 1.00 0.00 C ATOM 309 CZ TYR A 20 4.714 3.546 -15.448 1.00 0.00 C ATOM 310 OH TYR A 20 3.685 3.713 -16.346 1.00 0.00 O ATOM 0 H TYR A 20 10.116 3.008 -11.325 1.00 0.00 H new ATOM 0 HA TYR A 20 9.382 3.692 -14.070 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.186 1.972 -12.591 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.586 3.326 -11.655 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.582 1.832 -15.065 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.737 4.630 -12.433 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.747 2.130 -16.671 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.900 4.925 -14.035 1.00 0.00 H new ATOM 0 HH TYR A 20 3.707 2.990 -17.007 1.00 0.00 H new ATOM 320 N ARG A 21 8.899 6.095 -13.821 1.00 0.00 N ATOM 321 CA ARG A 21 8.712 7.534 -13.697 1.00 0.00 C ATOM 322 C ARG A 21 9.851 8.100 -12.865 1.00 0.00 C ATOM 323 O ARG A 21 9.790 9.222 -12.362 1.00 0.00 O ATOM 324 CB ARG A 21 7.362 7.858 -13.057 1.00 0.00 C ATOM 325 CG ARG A 21 6.332 8.370 -14.048 1.00 0.00 C ATOM 326 CD ARG A 21 6.706 9.744 -14.584 1.00 0.00 C ATOM 327 NE ARG A 21 6.603 9.811 -16.039 1.00 0.00 N ATOM 328 CZ ARG A 21 7.048 10.832 -16.764 1.00 0.00 C ATOM 329 NH1 ARG A 21 7.624 11.870 -16.171 1.00 0.00 N ATOM 330 NH2 ARG A 21 6.917 10.817 -18.084 1.00 0.00 N ATOM 0 H ARG A 21 8.997 5.761 -14.780 1.00 0.00 H new ATOM 0 HA ARG A 21 8.718 7.988 -14.688 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.974 6.962 -12.571 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.508 8.606 -12.277 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.243 7.667 -14.877 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.356 8.420 -13.566 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.054 10.496 -14.140 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.725 9.986 -14.281 1.00 0.00 H new ATOM 0 HE ARG A 21 6.165 9.030 -16.527 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.726 11.886 -15.156 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.965 12.652 -16.730 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.474 10.021 -18.544 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.259 11.601 -18.639 1.00 0.00 H new ATOM 344 N GLY A 22 10.898 7.291 -12.749 1.00 0.00 N ATOM 345 CA GLY A 22 12.074 7.681 -12.006 1.00 0.00 C ATOM 346 C GLY A 22 12.134 7.104 -10.603 1.00 0.00 C ATOM 347 O GLY A 22 13.035 7.457 -9.840 1.00 0.00 O ATOM 0 H GLY A 22 10.949 6.361 -13.164 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.961 7.366 -12.556 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.108 8.769 -11.943 1.00 0.00 H new ATOM 351 N TYR A 23 11.198 6.221 -10.232 1.00 0.00 N ATOM 352 CA TYR A 23 11.236 5.654 -8.893 1.00 0.00 C ATOM 353 C TYR A 23 11.561 4.168 -8.906 1.00 0.00 C ATOM 354 O TYR A 23 10.926 3.385 -9.606 1.00 0.00 O ATOM 355 CB TYR A 23 9.932 5.932 -8.153 1.00 0.00 C ATOM 356 CG TYR A 23 9.974 7.232 -7.380 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.880 7.412 -6.342 1.00 0.00 C ATOM 358 CD2 TYR A 23 9.119 8.279 -7.694 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.932 8.600 -5.637 1.00 0.00 C ATOM 360 CE2 TYR A 23 9.165 9.470 -6.993 1.00 0.00 C ATOM 361 CZ TYR A 23 10.072 9.625 -5.967 1.00 0.00 C ATOM 362 OH TYR A 23 10.121 10.809 -5.268 1.00 0.00 O ATOM 0 H TYR A 23 10.432 5.897 -10.823 1.00 0.00 H new ATOM 0 HA TYR A 23 12.046 6.145 -8.354 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.111 5.964 -8.869 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.724 5.111 -7.467 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.555 6.610 -6.082 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.407 8.162 -8.498 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.642 8.724 -4.833 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.493 10.276 -7.249 1.00 0.00 H new ATOM 0 HH TYR A 23 9.298 11.317 -5.427 1.00 0.00 H new ATOM 372 N SER A 24 12.571 3.799 -8.120 1.00 0.00 N ATOM 373 CA SER A 24 13.013 2.417 -8.025 1.00 0.00 C ATOM 374 C SER A 24 12.023 1.578 -7.230 1.00 0.00 C ATOM 375 O SER A 24 11.215 2.103 -6.466 1.00 0.00 O ATOM 376 CB SER A 24 14.395 2.347 -7.375 1.00 0.00 C ATOM 377 OG SER A 24 14.336 2.707 -6.006 1.00 0.00 O ATOM 0 H SER A 24 13.100 4.447 -7.537 1.00 0.00 H new ATOM 0 HA SER A 24 13.071 2.012 -9.035 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.794 1.337 -7.471 1.00 0.00 H new ATOM 0 HB3 SER A 24 15.081 3.012 -7.900 1.00 0.00 H new ATOM 0 HG SER A 24 13.708 3.450 -5.890 1.00 0.00 H new ATOM 383 N LEU A 25 12.106 0.270 -7.427 1.00 0.00 N ATOM 384 CA LEU A 25 11.233 -0.687 -6.757 1.00 0.00 C ATOM 385 C LEU A 25 11.052 -0.370 -5.272 1.00 0.00 C ATOM 386 O LEU A 25 9.924 -0.245 -4.794 1.00 0.00 O ATOM 387 CB LEU A 25 11.801 -2.096 -6.920 1.00 0.00 C ATOM 388 CG LEU A 25 11.115 -2.948 -7.984 1.00 0.00 C ATOM 389 CD1 LEU A 25 11.955 -4.172 -8.310 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.729 -3.358 -7.517 1.00 0.00 C ATOM 0 H LEU A 25 12.782 -0.160 -8.058 1.00 0.00 H new ATOM 0 HA LEU A 25 10.250 -0.619 -7.224 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.860 -2.019 -7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.732 -2.612 -5.963 1.00 0.00 H new ATOM 0 HG LEU A 25 11.012 -2.354 -8.892 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.450 -4.768 -9.071 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.929 -3.856 -8.684 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.089 -4.771 -7.410 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.251 -3.965 -8.286 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.811 -3.936 -6.597 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.129 -2.467 -7.333 1.00 0.00 H new ATOM 402 N GLY A 26 12.161 -0.272 -4.546 1.00 0.00 N ATOM 403 CA GLY A 26 12.107 0.003 -3.117 1.00 0.00 C ATOM 404 C GLY A 26 11.130 1.103 -2.737 1.00 0.00 C ATOM 405 O GLY A 26 10.452 1.006 -1.715 1.00 0.00 O ATOM 0 H GLY A 26 13.103 -0.378 -4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.832 -0.911 -2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.103 0.281 -2.773 1.00 0.00 H new ATOM 409 N ASN A 27 11.063 2.153 -3.548 1.00 0.00 N ATOM 410 CA ASN A 27 10.169 3.275 -3.273 1.00 0.00 C ATOM 411 C ASN A 27 8.702 2.859 -3.376 1.00 0.00 C ATOM 412 O ASN A 27 7.844 3.389 -2.670 1.00 0.00 O ATOM 413 CB ASN A 27 10.455 4.425 -4.239 1.00 0.00 C ATOM 414 CG ASN A 27 11.912 4.842 -4.225 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.548 4.810 -5.390 1.00 0.00 O flip ATOM 416 ND2 ASN A 27 12.460 5.191 -3.179 1.00 0.00 N flip ATOM 0 H ASN A 27 11.615 2.252 -4.400 1.00 0.00 H new ATOM 0 HA ASN A 27 10.354 3.607 -2.251 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.175 4.126 -5.249 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.832 5.280 -3.976 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.933 5.201 -2.306 1.00 0.00 H new ATOM 0 HD22 ASN A 27 13.441 5.471 -3.186 1.00 0.00 H new ATOM 423 N TRP A 28 8.426 1.909 -4.260 1.00 0.00 N ATOM 424 CA TRP A 28 7.069 1.415 -4.465 1.00 0.00 C ATOM 425 C TRP A 28 6.663 0.442 -3.371 1.00 0.00 C ATOM 426 O TRP A 28 5.487 0.354 -3.018 1.00 0.00 O ATOM 427 CB TRP A 28 6.955 0.761 -5.835 1.00 0.00 C ATOM 428 CG TRP A 28 7.342 1.697 -6.927 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.575 1.832 -7.478 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.499 2.647 -7.581 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.560 2.816 -8.430 1.00 0.00 N ATOM 432 CE2 TRP A 28 7.296 3.332 -8.517 1.00 0.00 C ATOM 433 CE3 TRP A 28 5.148 2.982 -7.464 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.794 4.340 -9.335 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.636 3.977 -8.271 1.00 0.00 C ATOM 436 CH2 TRP A 28 5.458 4.651 -9.200 1.00 0.00 C ATOM 0 H TRP A 28 9.128 1.462 -4.850 1.00 0.00 H new ATOM 0 HA TRP A 28 6.386 2.264 -4.419 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.592 -0.123 -5.870 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.931 0.422 -5.992 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.442 1.248 -7.205 1.00 0.00 H new ATOM 0 HE1 TRP A 28 9.362 3.116 -8.985 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.515 2.471 -6.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.424 4.856 -10.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.593 4.244 -8.191 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.031 5.427 -9.818 1.00 0.00 H new ATOM 447 N VAL A 29 7.632 -0.284 -2.824 1.00 0.00 N ATOM 448 CA VAL A 29 7.352 -1.239 -1.765 1.00 0.00 C ATOM 449 C VAL A 29 7.065 -0.522 -0.455 1.00 0.00 C ATOM 450 O VAL A 29 6.071 -0.804 0.210 1.00 0.00 O ATOM 451 CB VAL A 29 8.530 -2.212 -1.566 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.267 -3.154 -0.399 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.795 -2.992 -2.845 1.00 0.00 C ATOM 0 H VAL A 29 8.613 -0.228 -3.097 1.00 0.00 H new ATOM 0 HA VAL A 29 6.472 -1.808 -2.065 1.00 0.00 H new ATOM 0 HB VAL A 29 9.420 -1.629 -1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.113 -3.830 -0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.135 -2.574 0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.365 -3.733 -0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.630 -3.675 -2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.906 -3.562 -3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.039 -2.299 -3.650 1.00 0.00 H new ATOM 463 N CYS A 30 7.942 0.404 -0.087 1.00 0.00 N ATOM 464 CA CYS A 30 7.778 1.158 1.146 1.00 0.00 C ATOM 465 C CYS A 30 6.473 1.948 1.131 1.00 0.00 C ATOM 466 O CYS A 30 5.729 1.949 2.110 1.00 0.00 O ATOM 467 CB CYS A 30 8.959 2.104 1.353 1.00 0.00 C ATOM 468 SG CYS A 30 9.095 2.760 3.047 1.00 0.00 S ATOM 0 H CYS A 30 8.773 0.649 -0.625 1.00 0.00 H new ATOM 0 HA CYS A 30 7.743 0.449 1.973 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.881 1.578 1.103 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.869 2.938 0.657 1.00 0.00 H new ATOM 473 N ALA A 31 6.202 2.624 0.015 1.00 0.00 N ATOM 474 CA ALA A 31 4.988 3.419 -0.117 1.00 0.00 C ATOM 475 C ALA A 31 3.743 2.550 0.002 1.00 0.00 C ATOM 476 O ALA A 31 2.799 2.899 0.708 1.00 0.00 O ATOM 477 CB ALA A 31 4.986 4.157 -1.446 1.00 0.00 C ATOM 0 H ALA A 31 6.806 2.635 -0.807 1.00 0.00 H new ATOM 0 HA ALA A 31 4.971 4.145 0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.074 4.747 -1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.852 4.817 -1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.031 3.436 -2.262 1.00 0.00 H new ATOM 483 N ALA A 32 3.749 1.421 -0.696 1.00 0.00 N ATOM 484 CA ALA A 32 2.617 0.503 -0.675 1.00 0.00 C ATOM 485 C ALA A 32 2.451 -0.146 0.695 1.00 0.00 C ATOM 486 O ALA A 32 1.334 -0.288 1.191 1.00 0.00 O ATOM 487 CB ALA A 32 2.783 -0.560 -1.750 1.00 0.00 C ATOM 0 H ALA A 32 4.526 1.119 -1.284 1.00 0.00 H new ATOM 0 HA ALA A 32 1.714 1.078 -0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.931 -1.240 -1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.837 -0.083 -2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.700 -1.121 -1.569 1.00 0.00 H new ATOM 493 N LYS A 33 3.566 -0.551 1.298 1.00 0.00 N ATOM 494 CA LYS A 33 3.546 -1.199 2.605 1.00 0.00 C ATOM 495 C LYS A 33 2.757 -0.387 3.626 1.00 0.00 C ATOM 496 O LYS A 33 1.837 -0.897 4.256 1.00 0.00 O ATOM 497 CB LYS A 33 4.976 -1.409 3.110 1.00 0.00 C ATOM 498 CG LYS A 33 5.049 -1.960 4.526 1.00 0.00 C ATOM 499 CD LYS A 33 5.864 -3.242 4.586 1.00 0.00 C ATOM 500 CE LYS A 33 7.348 -2.952 4.742 1.00 0.00 C ATOM 501 NZ LYS A 33 8.190 -4.054 4.201 1.00 0.00 N ATOM 0 H LYS A 33 4.498 -0.441 0.899 1.00 0.00 H new ATOM 0 HA LYS A 33 3.052 -2.163 2.486 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.493 -2.092 2.436 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.509 -0.459 3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.494 -1.214 5.185 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.041 -2.151 4.895 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.522 -3.853 5.421 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.699 -3.822 3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.592 -2.023 4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.580 -2.803 5.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.191 -3.857 4.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.917 -4.952 4.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.051 -4.124 3.173 1.00 0.00 H new ATOM 515 N PHE A 34 3.135 0.866 3.811 1.00 0.00 N ATOM 516 CA PHE A 34 2.456 1.709 4.783 1.00 0.00 C ATOM 517 C PHE A 34 1.107 2.195 4.281 1.00 0.00 C ATOM 518 O PHE A 34 0.205 2.465 5.073 1.00 0.00 O ATOM 519 CB PHE A 34 3.332 2.880 5.179 1.00 0.00 C ATOM 520 CG PHE A 34 4.197 2.604 6.375 1.00 0.00 C ATOM 521 CD1 PHE A 34 3.698 2.760 7.659 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.509 2.187 6.217 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.491 2.506 8.762 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.307 1.930 7.316 1.00 0.00 C ATOM 525 CZ PHE A 34 5.796 2.090 8.590 1.00 0.00 C ATOM 0 H PHE A 34 3.898 1.319 3.309 1.00 0.00 H new ATOM 0 HA PHE A 34 2.268 1.095 5.664 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.968 3.150 4.335 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.699 3.742 5.390 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.677 3.084 7.799 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.913 2.061 5.223 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.090 2.633 9.757 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.328 1.605 7.179 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.417 1.890 9.450 1.00 0.00 H new ATOM 535 N GLU A 35 0.967 2.310 2.970 1.00 0.00 N ATOM 536 CA GLU A 35 -0.278 2.770 2.377 1.00 0.00 C ATOM 537 C GLU A 35 -1.424 1.805 2.653 1.00 0.00 C ATOM 538 O GLU A 35 -2.483 2.203 3.138 1.00 0.00 O ATOM 539 CB GLU A 35 -0.100 2.922 0.866 1.00 0.00 C ATOM 540 CG GLU A 35 0.062 4.361 0.408 1.00 0.00 C ATOM 541 CD GLU A 35 0.699 4.463 -0.963 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.001 4.199 -1.963 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.897 4.806 -1.037 1.00 0.00 O ATOM 0 H GLU A 35 1.701 2.091 2.296 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.527 3.731 2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.774 2.351 0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.963 2.485 0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.914 4.845 0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.672 4.903 1.130 1.00 0.00 H new ATOM 550 N SER A 36 -1.224 0.545 2.285 1.00 0.00 N ATOM 551 CA SER A 36 -2.267 -0.466 2.437 1.00 0.00 C ATOM 552 C SER A 36 -1.748 -1.764 3.048 1.00 0.00 C ATOM 553 O SER A 36 -2.497 -2.733 3.170 1.00 0.00 O ATOM 554 CB SER A 36 -2.874 -0.768 1.065 1.00 0.00 C ATOM 555 OG SER A 36 -1.866 -1.116 0.133 1.00 0.00 O ATOM 0 H SER A 36 -0.354 0.199 1.881 1.00 0.00 H new ATOM 0 HA SER A 36 -3.015 -0.061 3.119 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.592 -1.583 1.152 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.422 0.103 0.706 1.00 0.00 H new ATOM 0 HG SER A 36 -1.667 -0.344 -0.438 1.00 0.00 H new ATOM 561 N ASN A 37 -0.472 -1.795 3.411 1.00 0.00 N ATOM 562 CA ASN A 37 0.118 -3.003 3.982 1.00 0.00 C ATOM 563 C ASN A 37 0.032 -4.137 2.970 1.00 0.00 C ATOM 564 O ASN A 37 -0.011 -5.305 3.334 1.00 0.00 O ATOM 565 CB ASN A 37 -0.593 -3.394 5.280 1.00 0.00 C ATOM 566 CG ASN A 37 -0.726 -2.227 6.240 1.00 0.00 C ATOM 567 OD1 ASN A 37 -1.800 -1.646 6.385 1.00 0.00 O ATOM 568 ND2 ASN A 37 0.371 -1.880 6.903 1.00 0.00 N ATOM 0 H ASN A 37 0.170 -1.007 3.322 1.00 0.00 H new ATOM 0 HA ASN A 37 1.164 -2.807 4.217 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.584 -3.783 5.045 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.041 -4.199 5.765 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.343 -1.103 7.564 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.241 -2.390 6.752 1.00 0.00 H new ATOM 575 N PHE A 38 0.016 -3.750 1.696 1.00 0.00 N ATOM 576 CA PHE A 38 -0.063 -4.668 0.570 1.00 0.00 C ATOM 577 C PHE A 38 -1.412 -5.365 0.520 1.00 0.00 C ATOM 578 O PHE A 38 -1.552 -6.418 -0.091 1.00 0.00 O ATOM 579 CB PHE A 38 1.088 -5.679 0.602 1.00 0.00 C ATOM 580 CG PHE A 38 2.439 -5.023 0.645 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.787 -4.071 -0.301 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.356 -5.350 1.630 1.00 0.00 C ATOM 583 CE1 PHE A 38 4.024 -3.458 -0.265 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.595 -4.739 1.671 1.00 0.00 C ATOM 585 CZ PHE A 38 4.930 -3.793 0.721 1.00 0.00 C ATOM 0 H PHE A 38 0.059 -2.770 1.416 1.00 0.00 H new ATOM 0 HA PHE A 38 0.036 -4.083 -0.344 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.975 -6.324 1.473 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.028 -6.319 -0.278 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.082 -3.806 -1.075 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.100 -6.090 2.374 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.282 -2.717 -1.007 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.301 -5.001 2.445 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.899 -3.317 0.750 1.00 0.00 H new ATOM 595 N ASN A 39 -2.419 -4.752 1.134 1.00 0.00 N ATOM 596 CA ASN A 39 -3.761 -5.315 1.122 1.00 0.00 C ATOM 597 C ASN A 39 -4.431 -4.992 -0.202 1.00 0.00 C ATOM 598 O ASN A 39 -4.674 -3.830 -0.526 1.00 0.00 O ATOM 599 CB ASN A 39 -4.583 -4.782 2.296 1.00 0.00 C ATOM 600 CG ASN A 39 -5.970 -5.391 2.356 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.256 -6.383 1.687 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.840 -4.797 3.166 1.00 0.00 N ATOM 0 H ASN A 39 -2.331 -3.872 1.642 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.696 -6.398 1.231 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.057 -4.990 3.228 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.668 -3.698 2.214 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.789 -5.162 3.251 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.559 -3.976 3.702 1.00 0.00 H new ATOM 609 N THR A 40 -4.684 -6.032 -0.980 1.00 0.00 N ATOM 610 CA THR A 40 -5.276 -5.884 -2.296 1.00 0.00 C ATOM 611 C THR A 40 -6.679 -5.329 -2.184 1.00 0.00 C ATOM 612 O THR A 40 -7.249 -4.825 -3.152 1.00 0.00 O ATOM 613 CB THR A 40 -5.323 -7.235 -3.034 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.573 -7.889 -2.786 1.00 0.00 O ATOM 615 CG2 THR A 40 -4.189 -8.140 -2.579 1.00 0.00 C ATOM 0 H THR A 40 -4.485 -6.997 -0.717 1.00 0.00 H new ATOM 0 HA THR A 40 -4.654 -5.192 -2.864 1.00 0.00 H new ATOM 0 HB THR A 40 -5.215 -7.039 -4.101 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.209 -7.658 -3.495 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.243 -9.088 -3.114 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.233 -7.659 -2.788 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.276 -8.322 -1.508 1.00 0.00 H new ATOM 623 N GLN A 41 -7.236 -5.457 -0.995 1.00 0.00 N ATOM 624 CA GLN A 41 -8.583 -5.010 -0.722 1.00 0.00 C ATOM 625 C GLN A 41 -8.616 -3.810 0.226 1.00 0.00 C ATOM 626 O GLN A 41 -9.689 -3.368 0.637 1.00 0.00 O ATOM 627 CB GLN A 41 -9.350 -6.178 -0.116 1.00 0.00 C ATOM 628 CG GLN A 41 -10.104 -7.014 -1.136 1.00 0.00 C ATOM 629 CD GLN A 41 -11.556 -6.599 -1.271 1.00 0.00 C ATOM 630 OE1 GLN A 41 -12.257 -6.418 -0.275 1.00 0.00 O ATOM 631 NE2 GLN A 41 -12.016 -6.447 -2.507 1.00 0.00 N ATOM 0 H GLN A 41 -6.765 -5.874 -0.192 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.041 -4.682 -1.655 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.651 -6.820 0.420 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.058 -5.793 0.619 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.613 -6.927 -2.105 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.055 -8.064 -0.847 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.400 -6.607 -3.304 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.986 -6.170 -2.660 1.00 0.00 H new ATOM 640 N ALA A 42 -7.443 -3.303 0.591 1.00 0.00 N ATOM 641 CA ALA A 42 -7.349 -2.172 1.513 1.00 0.00 C ATOM 642 C ALA A 42 -8.030 -0.914 0.985 1.00 0.00 C ATOM 643 O ALA A 42 -7.699 -0.410 -0.093 1.00 0.00 O ATOM 644 CB ALA A 42 -5.896 -1.868 1.827 1.00 0.00 C ATOM 0 H ALA A 42 -6.544 -3.656 0.264 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.875 -2.469 2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.841 -1.024 2.514 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.433 -2.741 2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.369 -1.620 0.906 1.00 0.00 H new ATOM 650 N THR A 43 -8.963 -0.400 1.781 1.00 0.00 N ATOM 651 CA THR A 43 -9.692 0.818 1.450 1.00 0.00 C ATOM 652 C THR A 43 -9.506 1.840 2.570 1.00 0.00 C ATOM 653 O THR A 43 -9.646 1.503 3.746 1.00 0.00 O ATOM 654 CB THR A 43 -11.197 0.543 1.267 1.00 0.00 C ATOM 655 OG1 THR A 43 -11.863 0.595 2.535 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.427 -0.818 0.626 1.00 0.00 C ATOM 0 H THR A 43 -9.234 -0.816 2.672 1.00 0.00 H new ATOM 0 HA THR A 43 -9.296 1.203 0.510 1.00 0.00 H new ATOM 0 HB THR A 43 -11.605 1.311 0.609 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.199 0.569 3.255 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.497 -0.988 0.508 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.945 -0.846 -0.351 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.004 -1.596 1.262 1.00 0.00 H new ATOM 664 N ASN A 44 -9.179 3.080 2.218 1.00 0.00 N ATOM 665 CA ASN A 44 -8.968 4.117 3.225 1.00 0.00 C ATOM 666 C ASN A 44 -9.840 5.338 2.956 1.00 0.00 C ATOM 667 O ASN A 44 -9.564 6.125 2.051 1.00 0.00 O ATOM 668 CB ASN A 44 -7.495 4.529 3.259 1.00 0.00 C ATOM 669 CG ASN A 44 -7.087 5.106 4.601 1.00 0.00 C ATOM 670 OD1 ASN A 44 -7.741 6.007 5.127 1.00 0.00 O ATOM 671 ND2 ASN A 44 -6.000 4.589 5.162 1.00 0.00 N ATOM 0 H ASN A 44 -9.055 3.390 1.254 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.251 3.703 4.193 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.873 3.662 3.035 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.309 5.266 2.478 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.677 4.938 6.064 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.488 3.843 4.691 1.00 0.00 H new ATOM 678 N ARG A 45 -10.895 5.492 3.752 1.00 0.00 N ATOM 679 CA ARG A 45 -11.810 6.618 3.604 1.00 0.00 C ATOM 680 C ARG A 45 -11.282 7.852 4.329 1.00 0.00 C ATOM 681 O ARG A 45 -10.972 7.802 5.520 1.00 0.00 O ATOM 682 CB ARG A 45 -13.196 6.252 4.139 1.00 0.00 C ATOM 683 CG ARG A 45 -13.167 5.595 5.510 1.00 0.00 C ATOM 684 CD ARG A 45 -14.550 5.557 6.139 1.00 0.00 C ATOM 685 NE ARG A 45 -15.496 4.792 5.333 1.00 0.00 N ATOM 686 CZ ARG A 45 -16.813 4.981 5.362 1.00 0.00 C ATOM 687 NH1 ARG A 45 -17.335 5.908 6.154 1.00 0.00 N ATOM 688 NH2 ARG A 45 -17.607 4.243 4.598 1.00 0.00 N ATOM 0 H ARG A 45 -11.137 4.850 4.507 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.888 6.850 2.542 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.806 7.154 4.191 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.682 5.579 3.433 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.779 4.580 5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -12.485 6.141 6.162 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -14.484 5.118 7.134 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -14.920 6.575 6.264 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.127 4.072 4.712 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.727 6.478 6.742 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -18.345 6.051 6.175 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -17.208 3.530 3.987 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -18.616 4.389 4.621 1.00 0.00 H new ATOM 702 N ASN A 46 -11.183 8.960 3.601 1.00 0.00 N ATOM 703 CA ASN A 46 -10.694 10.211 4.171 1.00 0.00 C ATOM 704 C ASN A 46 -11.845 11.176 4.435 1.00 0.00 C ATOM 705 O ASN A 46 -12.995 10.894 4.101 1.00 0.00 O ATOM 706 CB ASN A 46 -9.675 10.860 3.235 1.00 0.00 C ATOM 707 CG ASN A 46 -8.796 9.839 2.538 1.00 0.00 C ATOM 708 OD1 ASN A 46 -9.117 9.369 1.446 1.00 0.00 O ATOM 709 ND2 ASN A 46 -7.680 9.491 3.168 1.00 0.00 N ATOM 0 H ASN A 46 -11.435 9.017 2.614 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.210 9.982 5.120 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.200 11.454 2.487 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.048 11.546 3.805 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.049 8.808 2.748 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.454 9.906 4.072 1.00 0.00 H new ATOM 716 N THR A 47 -11.522 12.315 5.036 1.00 0.00 N ATOM 717 CA THR A 47 -12.524 13.328 5.351 1.00 0.00 C ATOM 718 C THR A 47 -12.820 14.206 4.140 1.00 0.00 C ATOM 719 O THR A 47 -13.848 14.882 4.089 1.00 0.00 O ATOM 720 CB THR A 47 -12.072 14.222 6.520 1.00 0.00 C ATOM 721 OG1 THR A 47 -10.786 14.786 6.237 1.00 0.00 O ATOM 722 CG2 THR A 47 -12.007 13.426 7.815 1.00 0.00 C ATOM 0 H THR A 47 -10.572 12.561 5.316 1.00 0.00 H new ATOM 0 HA THR A 47 -13.430 12.795 5.640 1.00 0.00 H new ATOM 0 HB THR A 47 -12.802 15.023 6.639 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.506 15.355 6.985 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.685 14.078 8.627 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.993 13.021 8.043 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.296 12.607 7.704 1.00 0.00 H new ATOM 730 N ASP A 48 -11.914 14.193 3.167 1.00 0.00 N ATOM 731 CA ASP A 48 -12.080 14.991 1.956 1.00 0.00 C ATOM 732 C ASP A 48 -13.166 14.403 1.060 1.00 0.00 C ATOM 733 O ASP A 48 -13.557 15.008 0.062 1.00 0.00 O ATOM 734 CB ASP A 48 -10.760 15.076 1.191 1.00 0.00 C ATOM 735 CG ASP A 48 -10.112 13.719 0.996 1.00 0.00 C ATOM 736 OD1 ASP A 48 -10.834 12.701 1.055 1.00 0.00 O ATOM 737 OD2 ASP A 48 -8.882 13.674 0.784 1.00 0.00 O ATOM 0 H ASP A 48 -11.058 13.639 3.193 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.384 15.995 2.252 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.937 15.533 0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.073 15.729 1.730 1.00 0.00 H new ATOM 742 N GLY A 49 -13.652 13.221 1.427 1.00 0.00 N ATOM 743 CA GLY A 49 -14.691 12.570 0.650 1.00 0.00 C ATOM 744 C GLY A 49 -14.159 11.443 -0.213 1.00 0.00 C ATOM 745 O GLY A 49 -14.871 10.476 -0.487 1.00 0.00 O ATOM 0 H GLY A 49 -13.344 12.702 2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.451 12.177 1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.180 13.308 0.015 1.00 0.00 H new ATOM 749 N SER A 50 -12.906 11.563 -0.641 1.00 0.00 N ATOM 750 CA SER A 50 -12.287 10.541 -1.476 1.00 0.00 C ATOM 751 C SER A 50 -11.866 9.337 -0.640 1.00 0.00 C ATOM 752 O SER A 50 -11.971 9.352 0.587 1.00 0.00 O ATOM 753 CB SER A 50 -11.079 11.110 -2.222 1.00 0.00 C ATOM 754 OG SER A 50 -10.459 12.147 -1.481 1.00 0.00 O ATOM 0 H SER A 50 -12.302 12.355 -0.424 1.00 0.00 H new ATOM 0 HA SER A 50 -13.027 10.214 -2.207 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.358 10.315 -2.412 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.395 11.492 -3.193 1.00 0.00 H new ATOM 0 HG SER A 50 -10.463 11.916 -0.529 1.00 0.00 H new ATOM 760 N THR A 51 -11.397 8.293 -1.315 1.00 0.00 N ATOM 761 CA THR A 51 -10.970 7.074 -0.638 1.00 0.00 C ATOM 762 C THR A 51 -9.735 6.473 -1.301 1.00 0.00 C ATOM 763 O THR A 51 -9.308 6.921 -2.363 1.00 0.00 O ATOM 764 CB THR A 51 -12.097 6.025 -0.631 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.372 6.677 -0.583 1.00 0.00 O ATOM 766 CG2 THR A 51 -11.961 5.083 0.555 1.00 0.00 C ATOM 0 H THR A 51 -11.303 8.267 -2.330 1.00 0.00 H new ATOM 0 HA THR A 51 -10.723 7.349 0.388 1.00 0.00 H new ATOM 0 HB THR A 51 -12.019 5.440 -1.547 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.084 6.012 -0.691 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.770 4.353 0.534 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.003 4.565 0.500 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.012 5.655 1.482 1.00 0.00 H new ATOM 774 N ASP A 52 -9.167 5.455 -0.663 1.00 0.00 N ATOM 775 CA ASP A 52 -7.981 4.781 -1.182 1.00 0.00 C ATOM 776 C ASP A 52 -8.252 3.301 -1.376 1.00 0.00 C ATOM 777 O ASP A 52 -7.948 2.481 -0.509 1.00 0.00 O ATOM 778 CB ASP A 52 -6.799 4.980 -0.233 1.00 0.00 C ATOM 779 CG ASP A 52 -6.445 6.444 -0.050 1.00 0.00 C ATOM 780 OD1 ASP A 52 -5.960 7.063 -1.020 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.653 6.969 1.064 1.00 0.00 O ATOM 0 H ASP A 52 -9.511 5.076 0.220 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.732 5.218 -2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.037 4.543 0.737 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.932 4.445 -0.620 1.00 0.00 H new ATOM 786 N TYR A 53 -8.828 2.965 -2.523 1.00 0.00 N ATOM 787 CA TYR A 53 -9.141 1.582 -2.831 1.00 0.00 C ATOM 788 C TYR A 53 -8.043 0.947 -3.674 1.00 0.00 C ATOM 789 O TYR A 53 -8.155 0.886 -4.896 1.00 0.00 O ATOM 790 CB TYR A 53 -10.467 1.473 -3.589 1.00 0.00 C ATOM 791 CG TYR A 53 -11.649 2.118 -2.902 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.173 1.588 -1.732 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.254 3.247 -3.438 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.263 2.166 -1.111 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.347 3.830 -2.826 1.00 0.00 C ATOM 796 CZ TYR A 53 -13.848 3.286 -1.662 1.00 0.00 C ATOM 797 OH TYR A 53 -14.936 3.862 -1.049 1.00 0.00 O ATOM 0 H TYR A 53 -9.086 3.631 -3.251 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.221 1.054 -1.881 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.345 1.927 -4.572 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.691 0.418 -3.751 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.721 0.708 -1.299 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.864 3.677 -4.349 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.655 1.742 -0.198 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.807 4.707 -3.257 1.00 0.00 H new ATOM 0 HH TYR A 53 -14.885 3.710 -0.082 1.00 0.00 H new ATOM 807 N GLY A 54 -6.968 0.499 -3.045 1.00 0.00 N ATOM 808 CA GLY A 54 -5.896 -0.112 -3.810 1.00 0.00 C ATOM 809 C GLY A 54 -4.627 -0.276 -3.004 1.00 0.00 C ATOM 810 O GLY A 54 -4.460 0.367 -1.968 1.00 0.00 O ATOM 0 H GLY A 54 -6.817 0.544 -2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.222 -1.088 -4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.688 0.499 -4.689 1.00 0.00 H new ATOM 814 N ILE A 55 -3.713 -1.113 -3.490 1.00 0.00 N ATOM 815 CA ILE A 55 -2.445 -1.310 -2.805 1.00 0.00 C ATOM 816 C ILE A 55 -1.644 -0.021 -2.896 1.00 0.00 C ATOM 817 O ILE A 55 -0.865 0.314 -2.004 1.00 0.00 O ATOM 818 CB ILE A 55 -1.634 -2.480 -3.405 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.440 -2.812 -2.508 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.166 -2.137 -4.809 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.194 -4.151 -2.818 1.00 0.00 C ATOM 0 H ILE A 55 -3.827 -1.658 -4.345 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.649 -1.566 -1.765 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.279 -3.357 -3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.312 -2.030 -2.613 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.764 -2.805 -1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.596 -2.972 -5.217 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.031 -1.943 -5.444 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.535 -1.249 -4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.034 -4.321 -2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.544 -4.942 -2.685 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.549 -4.156 -3.848 1.00 0.00 H new ATOM 833 N LEU A 56 -1.890 0.720 -3.976 1.00 0.00 N ATOM 834 CA LEU A 56 -1.247 2.006 -4.192 1.00 0.00 C ATOM 835 C LEU A 56 -2.261 3.114 -3.914 1.00 0.00 C ATOM 836 O LEU A 56 -2.002 4.285 -4.180 1.00 0.00 O ATOM 837 CB LEU A 56 -0.690 2.134 -5.624 1.00 0.00 C ATOM 838 CG LEU A 56 0.834 2.349 -5.732 1.00 0.00 C ATOM 839 CD1 LEU A 56 1.334 3.254 -4.614 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.558 1.012 -5.698 1.00 0.00 C ATOM 0 H LEU A 56 -2.535 0.445 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.400 2.093 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.951 1.232 -6.178 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.192 2.967 -6.116 1.00 0.00 H new ATOM 0 HG LEU A 56 1.045 2.837 -6.683 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.411 3.391 -4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.838 4.222 -4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.112 2.798 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.633 1.178 -5.775 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.336 0.502 -4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.225 0.397 -6.534 1.00 0.00 H new ATOM 852 N GLN A 57 -3.420 2.720 -3.363 1.00 0.00 N ATOM 853 CA GLN A 57 -4.494 3.655 -3.017 1.00 0.00 C ATOM 854 C GLN A 57 -5.178 4.234 -4.253 1.00 0.00 C ATOM 855 O GLN A 57 -4.914 5.377 -4.630 1.00 0.00 O ATOM 856 CB GLN A 57 -3.955 4.791 -2.141 1.00 0.00 C ATOM 857 CG GLN A 57 -3.037 4.319 -1.025 1.00 0.00 C ATOM 858 CD GLN A 57 -3.798 3.745 0.155 1.00 0.00 C ATOM 859 OE1 GLN A 57 -3.995 4.416 1.167 1.00 0.00 O ATOM 860 NE2 GLN A 57 -4.229 2.495 0.029 1.00 0.00 N ATOM 0 H GLN A 57 -3.635 1.747 -3.147 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.241 3.089 -2.461 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.414 5.498 -2.770 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.795 5.331 -1.704 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.356 3.563 -1.416 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.425 5.155 -0.686 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.043 1.975 -0.829 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.746 2.055 0.790 1.00 0.00 H new ATOM 869 N ILE A 58 -6.051 3.450 -4.897 1.00 0.00 N ATOM 870 CA ILE A 58 -6.730 3.925 -6.084 1.00 0.00 C ATOM 871 C ILE A 58 -8.000 4.661 -5.704 1.00 0.00 C ATOM 872 O ILE A 58 -9.050 4.053 -5.488 1.00 0.00 O ATOM 873 CB ILE A 58 -7.054 2.768 -7.053 1.00 0.00 C ATOM 874 CG1 ILE A 58 -5.766 2.234 -7.685 1.00 0.00 C ATOM 875 CG2 ILE A 58 -8.023 3.228 -8.133 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.877 1.483 -6.718 1.00 0.00 C ATOM 0 H ILE A 58 -6.294 2.501 -4.614 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.058 4.613 -6.598 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.528 1.965 -6.488 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.025 1.574 -8.513 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.206 3.069 -8.106 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.239 2.398 -8.806 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.949 3.570 -7.670 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.576 4.046 -8.698 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.985 1.136 -7.239 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.586 2.145 -5.902 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.419 0.627 -6.316 1.00 0.00 H new ATOM 888 N ASN A 59 -7.894 5.979 -5.626 1.00 0.00 N ATOM 889 CA ASN A 59 -9.030 6.809 -5.282 1.00 0.00 C ATOM 890 C ASN A 59 -10.106 6.656 -6.341 1.00 0.00 C ATOM 891 O ASN A 59 -10.010 7.239 -7.420 1.00 0.00 O ATOM 892 CB ASN A 59 -8.602 8.273 -5.172 1.00 0.00 C ATOM 893 CG ASN A 59 -9.762 9.196 -4.855 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.819 8.753 -4.404 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.570 10.489 -5.087 1.00 0.00 N ATOM 0 H ASN A 59 -7.030 6.494 -5.797 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.427 6.492 -4.317 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.843 8.369 -4.395 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.140 8.584 -6.109 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.314 11.158 -4.891 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.678 10.813 -5.461 1.00 0.00 H new ATOM 902 N SER A 60 -11.133 5.872 -6.037 1.00 0.00 N ATOM 903 CA SER A 60 -12.225 5.652 -6.981 1.00 0.00 C ATOM 904 C SER A 60 -13.001 6.940 -7.258 1.00 0.00 C ATOM 905 O SER A 60 -13.698 7.043 -8.266 1.00 0.00 O ATOM 906 CB SER A 60 -13.179 4.584 -6.443 1.00 0.00 C ATOM 907 OG SER A 60 -14.155 5.155 -5.590 1.00 0.00 O ATOM 0 H SER A 60 -11.234 5.380 -5.149 1.00 0.00 H new ATOM 0 HA SER A 60 -11.785 5.313 -7.919 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.670 4.078 -7.275 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.613 3.828 -5.899 1.00 0.00 H new ATOM 0 HG SER A 60 -15.049 4.975 -5.949 1.00 0.00 H new ATOM 913 N ARG A 61 -12.881 7.922 -6.370 1.00 0.00 N ATOM 914 CA ARG A 61 -13.579 9.193 -6.547 1.00 0.00 C ATOM 915 C ARG A 61 -12.755 10.136 -7.410 1.00 0.00 C ATOM 916 O ARG A 61 -12.987 11.345 -7.427 1.00 0.00 O ATOM 917 CB ARG A 61 -13.865 9.837 -5.190 1.00 0.00 C ATOM 918 CG ARG A 61 -15.121 10.693 -5.174 1.00 0.00 C ATOM 919 CD ARG A 61 -15.696 10.813 -3.773 1.00 0.00 C ATOM 920 NE ARG A 61 -17.154 10.897 -3.784 1.00 0.00 N ATOM 921 CZ ARG A 61 -17.837 11.942 -3.326 1.00 0.00 C ATOM 922 NH1 ARG A 61 -17.196 12.987 -2.822 1.00 0.00 N ATOM 923 NH2 ARG A 61 -19.162 11.941 -3.372 1.00 0.00 N ATOM 0 H ARG A 61 -12.311 7.864 -5.526 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.527 8.998 -7.049 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.960 9.053 -4.438 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.013 10.452 -4.903 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.891 11.686 -5.560 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.867 10.258 -5.839 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.387 9.952 -3.180 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.286 11.699 -3.288 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.678 10.109 -4.165 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.177 12.991 -2.785 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.722 13.787 -2.471 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.658 11.138 -3.759 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -19.685 12.743 -3.020 1.00 0.00 H new ATOM 937 N TRP A 62 -11.792 9.570 -8.128 1.00 0.00 N ATOM 938 CA TRP A 62 -10.930 10.362 -8.998 1.00 0.00 C ATOM 939 C TRP A 62 -10.221 9.515 -10.059 1.00 0.00 C ATOM 940 O TRP A 62 -9.528 10.061 -10.915 1.00 0.00 O ATOM 941 CB TRP A 62 -9.891 11.111 -8.162 1.00 0.00 C ATOM 942 CG TRP A 62 -9.668 12.522 -8.614 1.00 0.00 C ATOM 943 CD1 TRP A 62 -8.928 12.934 -9.686 1.00 0.00 C ATOM 944 CD2 TRP A 62 -10.190 13.709 -8.007 1.00 0.00 C ATOM 945 NE1 TRP A 62 -8.958 14.304 -9.781 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.727 14.804 -8.762 1.00 0.00 C ATOM 947 CE3 TRP A 62 -11.006 13.954 -6.898 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -10.051 16.120 -8.444 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -11.327 15.261 -6.583 1.00 0.00 C ATOM 950 CH2 TRP A 62 -10.851 16.330 -7.355 1.00 0.00 C ATOM 0 H TRP A 62 -11.589 8.570 -8.126 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.573 11.069 -9.523 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -10.210 11.117 -7.120 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.945 10.571 -8.202 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -8.397 12.278 -10.360 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -8.485 14.859 -10.494 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -11.379 13.137 -6.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -9.684 16.945 -9.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.955 15.462 -5.728 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.122 17.340 -7.084 1.00 0.00 H new ATOM 961 N TRP A 63 -10.371 8.189 -10.004 1.00 0.00 N ATOM 962 CA TRP A 63 -9.705 7.321 -10.970 1.00 0.00 C ATOM 963 C TRP A 63 -10.648 6.283 -11.571 1.00 0.00 C ATOM 964 O TRP A 63 -10.925 6.305 -12.769 1.00 0.00 O ATOM 965 CB TRP A 63 -8.516 6.617 -10.310 1.00 0.00 C ATOM 966 CG TRP A 63 -7.435 7.566 -9.894 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.835 7.665 -8.670 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.836 8.562 -10.716 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.890 8.666 -8.692 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.876 9.233 -9.941 1.00 0.00 C ATOM 971 CE3 TRP A 63 -7.026 8.946 -12.039 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -5.105 10.274 -10.455 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -6.271 9.972 -12.550 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.318 10.631 -11.761 1.00 0.00 C ATOM 0 H TRP A 63 -10.939 7.702 -9.311 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.358 7.957 -11.785 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.865 6.067 -9.436 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -8.103 5.885 -11.004 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.067 7.050 -7.813 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.298 8.941 -7.908 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.757 8.444 -12.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.369 10.780 -9.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.413 10.276 -13.576 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.740 11.436 -12.191 1.00 0.00 H new ATOM 985 N CYS A 64 -11.102 5.351 -10.743 1.00 0.00 N ATOM 986 CA CYS A 64 -11.975 4.285 -11.224 1.00 0.00 C ATOM 987 C CYS A 64 -13.446 4.560 -10.959 1.00 0.00 C ATOM 988 O CYS A 64 -13.805 5.375 -10.113 1.00 0.00 O ATOM 989 CB CYS A 64 -11.574 2.940 -10.612 1.00 0.00 C ATOM 990 SG CYS A 64 -12.230 2.649 -8.934 1.00 0.00 S ATOM 0 H CYS A 64 -10.885 5.310 -9.747 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.846 4.246 -12.306 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.918 2.140 -11.267 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.486 2.880 -10.579 1.00 0.00 H new ATOM 995 N ASN A 65 -14.290 3.861 -11.713 1.00 0.00 N ATOM 996 CA ASN A 65 -15.739 4.006 -11.595 1.00 0.00 C ATOM 997 C ASN A 65 -16.361 2.822 -10.859 1.00 0.00 C ATOM 998 O ASN A 65 -16.362 1.696 -11.359 1.00 0.00 O ATOM 999 CB ASN A 65 -16.366 4.145 -12.985 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.777 3.588 -13.050 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -18.641 4.047 -12.151 1.00 0.00 O flip ATOM 1002 ND2 ASN A 65 -18.088 2.754 -13.901 1.00 0.00 N flip ATOM 0 H ASN A 65 -13.994 3.184 -12.416 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.940 4.906 -11.014 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.382 5.197 -13.268 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.742 3.628 -13.714 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -17.394 2.428 -14.573 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -19.040 2.389 -13.934 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.893 3.087 -9.670 1.00 0.00 N ATOM 1010 CA ASP A 66 -17.527 2.050 -8.864 1.00 0.00 C ATOM 1011 C ASP A 66 -19.042 2.236 -8.836 1.00 0.00 C ATOM 1012 O ASP A 66 -19.762 1.470 -8.194 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.973 2.072 -7.437 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.136 3.427 -6.776 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -16.387 4.359 -7.136 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -18.013 3.555 -5.895 1.00 0.00 O ATOM 0 H ASP A 66 -16.897 4.013 -9.243 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.304 1.084 -9.317 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.483 1.316 -6.840 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.917 1.804 -7.456 1.00 0.00 H new ATOM 1021 N GLY A 67 -19.516 3.263 -9.535 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.940 3.545 -9.580 1.00 0.00 C ATOM 1023 C GLY A 67 -21.253 4.962 -9.145 1.00 0.00 C ATOM 1024 O GLY A 67 -22.416 5.330 -8.976 1.00 0.00 O ATOM 0 H GLY A 67 -18.937 3.907 -10.073 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.309 3.387 -10.594 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.469 2.843 -8.936 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.204 5.754 -8.960 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.339 7.139 -8.539 1.00 0.00 C ATOM 1030 C ARG A 68 -19.465 8.025 -9.409 1.00 0.00 C ATOM 1031 O ARG A 68 -18.717 8.868 -8.917 1.00 0.00 O ATOM 1032 CB ARG A 68 -19.949 7.293 -7.067 1.00 0.00 C ATOM 1033 CG ARG A 68 -20.788 6.446 -6.124 1.00 0.00 C ATOM 1034 CD ARG A 68 -21.065 7.175 -4.818 1.00 0.00 C ATOM 1035 NE ARG A 68 -21.504 6.263 -3.765 1.00 0.00 N ATOM 1036 CZ ARG A 68 -21.584 6.602 -2.482 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -21.257 7.829 -2.095 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -21.992 5.716 -1.584 1.00 0.00 N ATOM 0 H ARG A 68 -19.239 5.453 -9.098 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.380 7.442 -8.651 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -18.900 7.024 -6.948 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.044 8.341 -6.782 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.731 6.189 -6.606 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -20.271 5.509 -5.917 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -20.163 7.695 -4.495 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -21.829 7.935 -4.982 1.00 0.00 H new ATOM 0 HE ARG A 68 -21.764 5.313 -4.029 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -20.944 8.514 -2.783 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -21.319 8.087 -1.110 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -22.245 4.772 -1.877 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -22.053 5.978 -0.600 1.00 0.00 H new ATOM 1052 N THR A 69 -19.560 7.802 -10.711 1.00 0.00 N ATOM 1053 CA THR A 69 -18.772 8.550 -11.686 1.00 0.00 C ATOM 1054 C THR A 69 -19.293 9.978 -11.884 1.00 0.00 C ATOM 1055 O THR A 69 -18.495 10.890 -12.095 1.00 0.00 O ATOM 1056 CB THR A 69 -18.755 7.837 -13.051 1.00 0.00 C ATOM 1057 OG1 THR A 69 -18.200 6.525 -12.911 1.00 0.00 O ATOM 1058 CG2 THR A 69 -17.945 8.626 -14.070 1.00 0.00 C ATOM 0 H THR A 69 -20.180 7.104 -11.122 1.00 0.00 H new ATOM 0 HA THR A 69 -17.761 8.601 -11.281 1.00 0.00 H new ATOM 0 HB THR A 69 -19.783 7.764 -13.407 1.00 0.00 H new ATOM 0 HG1 THR A 69 -18.893 5.908 -12.596 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.950 8.100 -15.025 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.386 9.615 -14.198 1.00 0.00 H new ATOM 0 HG23 THR A 69 -16.919 8.729 -13.718 1.00 0.00 H new ATOM 1066 N PRO A 70 -20.624 10.219 -11.811 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.174 11.567 -11.976 1.00 0.00 C ATOM 1068 C PRO A 70 -20.424 12.585 -11.120 1.00 0.00 C ATOM 1069 O PRO A 70 -20.460 13.787 -11.384 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.635 11.438 -11.510 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.753 10.072 -10.914 1.00 0.00 C ATOM 1072 CD PRO A 70 -21.686 9.237 -11.560 1.00 0.00 C ATOM 0 HA PRO A 70 -21.087 11.922 -13.003 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.881 12.207 -10.778 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.324 11.561 -12.345 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -22.618 10.107 -9.833 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.741 9.651 -11.099 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.349 8.432 -10.906 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.036 8.773 -12.482 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.729 12.082 -10.101 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.956 12.937 -9.221 1.00 0.00 C ATOM 1082 C GLY A 71 -17.494 12.528 -9.175 1.00 0.00 C ATOM 1083 O GLY A 71 -16.643 13.280 -8.701 1.00 0.00 O ATOM 0 H GLY A 71 -19.689 11.089 -9.870 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.033 13.970 -9.559 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -19.376 12.898 -8.216 1.00 0.00 H new ATOM 1087 N SER A 72 -17.209 11.328 -9.680 1.00 0.00 N ATOM 1088 CA SER A 72 -15.848 10.805 -9.710 1.00 0.00 C ATOM 1089 C SER A 72 -15.191 11.098 -11.055 1.00 0.00 C ATOM 1090 O SER A 72 -15.847 11.073 -12.096 1.00 0.00 O ATOM 1091 CB SER A 72 -15.851 9.296 -9.455 1.00 0.00 C ATOM 1092 OG SER A 72 -16.225 9.005 -8.119 1.00 0.00 O ATOM 0 H SER A 72 -17.908 10.699 -10.075 1.00 0.00 H new ATOM 0 HA SER A 72 -15.277 11.298 -8.923 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.542 8.809 -10.144 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.860 8.888 -9.656 1.00 0.00 H new ATOM 0 HG SER A 72 -17.202 8.997 -8.047 1.00 0.00 H new ATOM 1098 N ARG A 73 -13.893 11.375 -11.025 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.147 11.674 -12.243 1.00 0.00 C ATOM 1100 C ARG A 73 -13.204 10.502 -13.219 1.00 0.00 C ATOM 1101 O ARG A 73 -13.345 10.694 -14.427 1.00 0.00 O ATOM 1102 CB ARG A 73 -11.692 12.007 -11.909 1.00 0.00 C ATOM 1103 CG ARG A 73 -11.194 13.286 -12.563 1.00 0.00 C ATOM 1104 CD ARG A 73 -11.633 14.516 -11.784 1.00 0.00 C ATOM 1105 NE ARG A 73 -10.983 15.731 -12.268 1.00 0.00 N ATOM 1106 CZ ARG A 73 -11.640 16.841 -12.587 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -12.961 16.892 -12.473 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -10.978 17.905 -13.020 1.00 0.00 N ATOM 0 H ARG A 73 -13.335 11.399 -10.172 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.609 12.540 -12.717 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.588 12.098 -10.828 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.057 11.178 -12.222 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.106 13.264 -12.627 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -11.573 13.346 -13.583 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.714 14.628 -11.862 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.402 14.378 -10.728 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.968 15.727 -12.367 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.476 16.077 -12.139 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.462 17.746 -12.719 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.962 17.872 -13.109 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.484 18.756 -13.264 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.101 9.287 -12.681 1.00 0.00 N ATOM 1123 CA ASN A 74 -13.148 8.072 -13.497 1.00 0.00 C ATOM 1124 C ASN A 74 -12.155 8.174 -14.637 1.00 0.00 C ATOM 1125 O ASN A 74 -12.312 7.546 -15.685 1.00 0.00 O ATOM 1126 CB ASN A 74 -14.560 7.846 -14.044 1.00 0.00 C ATOM 1127 CG ASN A 74 -14.737 6.465 -14.644 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.922 5.570 -14.421 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -15.806 6.285 -15.410 1.00 0.00 N ATOM 0 H ASN A 74 -12.984 9.117 -11.682 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.881 7.221 -12.870 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.284 7.985 -13.241 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.777 8.598 -14.802 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.978 5.376 -15.841 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.456 7.055 -15.568 1.00 0.00 H new ATOM 1136 N LEU A 75 -11.117 8.961 -14.405 1.00 0.00 N ATOM 1137 CA LEU A 75 -10.064 9.156 -15.367 1.00 0.00 C ATOM 1138 C LEU A 75 -9.524 7.825 -15.817 1.00 0.00 C ATOM 1139 O LEU A 75 -9.843 7.319 -16.894 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.960 9.940 -14.685 1.00 0.00 C ATOM 1141 CG LEU A 75 -9.082 11.458 -14.822 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -7.882 12.162 -14.211 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -9.249 11.857 -16.281 1.00 0.00 C ATOM 0 H LEU A 75 -10.988 9.482 -13.537 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.442 9.691 -16.238 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.950 9.683 -13.626 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.001 9.627 -15.098 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.971 11.771 -14.275 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.997 13.240 -14.323 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.814 11.913 -13.152 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.973 11.839 -14.719 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.334 12.941 -16.354 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.383 11.521 -16.851 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.150 11.395 -16.684 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.707 7.283 -14.943 1.00 0.00 N ATOM 1156 CA CYS A 76 -8.064 6.004 -15.116 1.00 0.00 C ATOM 1157 C CYS A 76 -8.940 5.012 -15.879 1.00 0.00 C ATOM 1158 O CYS A 76 -8.431 4.141 -16.585 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.786 5.482 -13.728 1.00 0.00 C ATOM 1160 SG CYS A 76 -6.110 4.835 -13.455 1.00 0.00 S ATOM 0 H CYS A 76 -8.465 7.737 -14.063 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.154 6.122 -15.705 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.967 6.285 -13.014 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.502 4.691 -13.506 1.00 0.00 H new ATOM 1165 N ASN A 77 -10.257 5.150 -15.728 1.00 0.00 N ATOM 1166 CA ASN A 77 -11.200 4.263 -16.398 1.00 0.00 C ATOM 1167 C ASN A 77 -10.818 2.815 -16.134 1.00 0.00 C ATOM 1168 O ASN A 77 -10.563 2.046 -17.061 1.00 0.00 O ATOM 1169 CB ASN A 77 -11.220 4.539 -17.903 1.00 0.00 C ATOM 1170 CG ASN A 77 -12.175 5.658 -18.273 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -11.777 6.655 -18.874 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -13.442 5.496 -17.913 1.00 0.00 N ATOM 0 H ASN A 77 -10.692 5.867 -15.148 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.199 4.447 -16.003 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.215 4.798 -18.236 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.507 3.630 -18.433 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -14.131 6.215 -18.134 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -13.727 4.652 -17.416 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.759 2.460 -14.857 1.00 0.00 N ATOM 1180 CA ILE A 78 -10.383 1.113 -14.463 1.00 0.00 C ATOM 1181 C ILE A 78 -11.456 0.449 -13.607 1.00 0.00 C ATOM 1182 O ILE A 78 -12.213 1.126 -12.912 1.00 0.00 O ATOM 1183 CB ILE A 78 -9.045 1.114 -13.693 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -9.282 1.026 -12.175 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -8.257 2.359 -14.052 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -8.341 1.877 -11.345 1.00 0.00 C ATOM 0 H ILE A 78 -10.967 3.086 -14.079 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.271 0.539 -15.383 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.468 0.235 -13.982 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.308 1.326 -11.962 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -9.183 -0.014 -11.863 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.312 2.361 -13.509 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.059 2.368 -15.124 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.832 3.244 -13.782 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.578 1.756 -10.288 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.313 1.564 -11.525 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.455 2.924 -11.625 1.00 0.00 H new ATOM 1198 N PRO A 79 -11.518 -0.892 -13.621 1.00 0.00 N ATOM 1199 CA PRO A 79 -12.481 -1.635 -12.815 1.00 0.00 C ATOM 1200 C PRO A 79 -12.061 -1.634 -11.351 1.00 0.00 C ATOM 1201 O PRO A 79 -11.013 -2.176 -10.997 1.00 0.00 O ATOM 1202 CB PRO A 79 -12.422 -3.043 -13.404 1.00 0.00 C ATOM 1203 CG PRO A 79 -11.039 -3.166 -13.945 1.00 0.00 C ATOM 1204 CD PRO A 79 -10.637 -1.787 -14.399 1.00 0.00 C ATOM 0 HA PRO A 79 -13.485 -1.211 -12.839 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -12.619 -3.799 -12.644 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.168 -3.177 -14.188 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.355 -3.539 -13.182 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -11.008 -3.873 -14.774 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.585 -1.589 -14.195 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -10.783 -1.660 -15.472 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.863 -0.998 -10.509 1.00 0.00 N ATOM 1213 CA CYS A 80 -12.555 -0.895 -9.088 1.00 0.00 C ATOM 1214 C CYS A 80 -12.472 -2.265 -8.416 1.00 0.00 C ATOM 1215 O CYS A 80 -11.426 -2.639 -7.887 1.00 0.00 O ATOM 1216 CB CYS A 80 -13.595 -0.020 -8.389 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.919 1.560 -9.241 1.00 0.00 S ATOM 0 H CYS A 80 -13.734 -0.544 -10.785 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.572 -0.432 -8.997 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.529 -0.576 -8.307 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.258 0.188 -7.373 1.00 0.00 H new ATOM 1222 N SER A 81 -13.575 -3.005 -8.428 1.00 0.00 N ATOM 1223 CA SER A 81 -13.619 -4.326 -7.804 1.00 0.00 C ATOM 1224 C SER A 81 -12.620 -5.289 -8.442 1.00 0.00 C ATOM 1225 O SER A 81 -12.234 -6.286 -7.829 1.00 0.00 O ATOM 1226 CB SER A 81 -15.031 -4.908 -7.891 1.00 0.00 C ATOM 1227 OG SER A 81 -15.358 -5.253 -9.227 1.00 0.00 O ATOM 0 H SER A 81 -14.451 -2.715 -8.862 1.00 0.00 H new ATOM 0 HA SER A 81 -13.342 -4.201 -6.757 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.104 -5.791 -7.256 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.751 -4.182 -7.513 1.00 0.00 H new ATOM 0 HG SER A 81 -16.264 -5.624 -9.256 1.00 0.00 H new ATOM 1233 N ALA A 82 -12.198 -4.994 -9.669 1.00 0.00 N ATOM 1234 CA ALA A 82 -11.240 -5.848 -10.364 1.00 0.00 C ATOM 1235 C ALA A 82 -9.810 -5.411 -10.068 1.00 0.00 C ATOM 1236 O ALA A 82 -8.863 -6.176 -10.257 1.00 0.00 O ATOM 1237 CB ALA A 82 -11.502 -5.835 -11.862 1.00 0.00 C ATOM 0 H ALA A 82 -12.502 -4.177 -10.199 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.367 -6.867 -10.000 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.778 -6.477 -12.364 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.510 -6.202 -12.058 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.406 -4.817 -12.239 1.00 0.00 H new ATOM 1243 N LEU A 83 -9.666 -4.181 -9.586 1.00 0.00 N ATOM 1244 CA LEU A 83 -8.355 -3.644 -9.245 1.00 0.00 C ATOM 1245 C LEU A 83 -8.009 -3.999 -7.805 1.00 0.00 C ATOM 1246 O LEU A 83 -6.902 -3.741 -7.331 1.00 0.00 O ATOM 1247 CB LEU A 83 -8.322 -2.122 -9.453 1.00 0.00 C ATOM 1248 CG LEU A 83 -8.538 -1.271 -8.197 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -7.204 -0.877 -7.583 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -9.354 -0.032 -8.529 1.00 0.00 C ATOM 0 H LEU A 83 -10.441 -3.538 -9.423 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.610 -4.089 -9.904 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.359 -1.855 -9.888 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.087 -1.858 -10.184 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.090 -1.866 -7.470 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.378 -0.273 -6.692 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.650 -1.775 -7.310 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.627 -0.300 -8.306 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.498 0.561 -7.626 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.825 0.563 -9.274 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.324 -0.331 -8.926 1.00 0.00 H new ATOM 1262 N LEU A 84 -8.971 -4.600 -7.120 1.00 0.00 N ATOM 1263 CA LEU A 84 -8.795 -5.001 -5.733 1.00 0.00 C ATOM 1264 C LEU A 84 -8.553 -6.500 -5.628 1.00 0.00 C ATOM 1265 O LEU A 84 -8.418 -7.045 -4.533 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.025 -4.593 -4.926 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.427 -3.127 -5.095 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.491 -2.744 -4.081 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.211 -2.218 -4.967 1.00 0.00 C ATOM 0 H LEU A 84 -9.888 -4.822 -7.507 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.918 -4.496 -5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -10.864 -5.224 -5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.834 -4.786 -3.870 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.845 -3.000 -6.094 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.764 -1.698 -4.217 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.372 -3.370 -4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.102 -2.889 -3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.518 -1.180 -5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.761 -2.349 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.482 -2.474 -5.736 1.00 0.00 H new ATOM 1281 N SER A 85 -8.489 -7.156 -6.780 1.00 0.00 N ATOM 1282 CA SER A 85 -8.248 -8.593 -6.837 1.00 0.00 C ATOM 1283 C SER A 85 -6.846 -8.923 -6.349 1.00 0.00 C ATOM 1284 O SER A 85 -6.125 -8.057 -5.852 1.00 0.00 O ATOM 1285 CB SER A 85 -8.435 -9.104 -8.266 1.00 0.00 C ATOM 1286 OG SER A 85 -9.810 -9.218 -8.592 1.00 0.00 O ATOM 0 H SER A 85 -8.601 -6.713 -7.692 1.00 0.00 H new ATOM 0 HA SER A 85 -8.968 -9.086 -6.184 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.948 -8.424 -8.965 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.951 -10.074 -8.375 1.00 0.00 H new ATOM 0 HG SER A 85 -9.902 -9.545 -9.511 1.00 0.00 H new ATOM 1292 N SER A 86 -6.467 -10.181 -6.504 1.00 0.00 N ATOM 1293 CA SER A 86 -5.145 -10.643 -6.090 1.00 0.00 C ATOM 1294 C SER A 86 -4.107 -10.300 -7.151 1.00 0.00 C ATOM 1295 O SER A 86 -3.096 -10.987 -7.298 1.00 0.00 O ATOM 1296 CB SER A 86 -5.163 -12.153 -5.840 1.00 0.00 C ATOM 1297 OG SER A 86 -3.985 -12.574 -5.174 1.00 0.00 O ATOM 0 H SER A 86 -7.056 -10.906 -6.915 1.00 0.00 H new ATOM 0 HA SER A 86 -4.877 -10.137 -5.162 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.036 -12.415 -5.242 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.256 -12.681 -6.789 1.00 0.00 H new ATOM 0 HG SER A 86 -3.206 -12.140 -5.581 1.00 0.00 H new ATOM 1303 N ASP A 87 -4.378 -9.235 -7.896 1.00 0.00 N ATOM 1304 CA ASP A 87 -3.490 -8.788 -8.958 1.00 0.00 C ATOM 1305 C ASP A 87 -3.239 -7.287 -8.857 1.00 0.00 C ATOM 1306 O ASP A 87 -4.177 -6.489 -8.889 1.00 0.00 O ATOM 1307 CB ASP A 87 -4.105 -9.135 -10.313 1.00 0.00 C ATOM 1308 CG ASP A 87 -3.247 -8.684 -11.477 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -2.015 -8.579 -11.301 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -3.807 -8.439 -12.566 1.00 0.00 O ATOM 0 H ASP A 87 -5.214 -8.662 -7.781 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.531 -9.296 -8.856 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.255 -10.213 -10.374 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.088 -8.671 -10.391 1.00 0.00 H new ATOM 1315 N ILE A 88 -1.970 -6.907 -8.728 1.00 0.00 N ATOM 1316 CA ILE A 88 -1.602 -5.497 -8.616 1.00 0.00 C ATOM 1317 C ILE A 88 -1.584 -4.809 -9.972 1.00 0.00 C ATOM 1318 O ILE A 88 -1.384 -3.601 -10.049 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.220 -5.308 -7.957 1.00 0.00 C ATOM 1320 CG1 ILE A 88 0.687 -6.508 -8.243 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -0.365 -5.085 -6.462 1.00 0.00 C ATOM 1322 CD1 ILE A 88 2.159 -6.164 -8.247 1.00 0.00 C ATOM 0 H ILE A 88 -1.181 -7.553 -8.698 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.366 -5.043 -7.985 1.00 0.00 H new ATOM 0 HB ILE A 88 0.245 -4.422 -8.389 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.504 -7.278 -7.494 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.419 -6.934 -9.210 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.621 -4.954 -6.016 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.965 -4.193 -6.284 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.855 -5.948 -6.011 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.742 -7.061 -8.456 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.356 -5.416 -9.015 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.442 -5.766 -7.273 1.00 0.00 H new ATOM 1334 N THR A 89 -1.777 -5.574 -11.039 1.00 0.00 N ATOM 1335 CA THR A 89 -1.766 -5.010 -12.383 1.00 0.00 C ATOM 1336 C THR A 89 -2.692 -3.803 -12.486 1.00 0.00 C ATOM 1337 O THR A 89 -2.292 -2.750 -12.976 1.00 0.00 O ATOM 1338 CB THR A 89 -2.180 -6.054 -13.439 1.00 0.00 C ATOM 1339 OG1 THR A 89 -1.280 -7.169 -13.403 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.181 -5.446 -14.833 1.00 0.00 C ATOM 0 H THR A 89 -1.942 -6.580 -11.001 1.00 0.00 H new ATOM 0 HA THR A 89 -0.742 -4.694 -12.580 1.00 0.00 H new ATOM 0 HB THR A 89 -3.190 -6.391 -13.206 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.285 -7.565 -12.506 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.476 -6.203 -15.560 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.886 -4.615 -14.867 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.181 -5.084 -15.073 1.00 0.00 H new ATOM 1348 N ALA A 90 -3.934 -3.967 -12.043 1.00 0.00 N ATOM 1349 CA ALA A 90 -4.912 -2.900 -12.105 1.00 0.00 C ATOM 1350 C ALA A 90 -4.564 -1.733 -11.177 1.00 0.00 C ATOM 1351 O ALA A 90 -4.548 -0.579 -11.605 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.294 -3.442 -11.786 1.00 0.00 C ATOM 0 H ALA A 90 -4.283 -4.835 -11.636 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.903 -2.508 -13.122 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.022 -2.633 -11.835 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.559 -4.213 -12.510 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.294 -3.870 -10.784 1.00 0.00 H new ATOM 1358 N SER A 91 -4.285 -2.036 -9.909 1.00 0.00 N ATOM 1359 CA SER A 91 -3.937 -1.002 -8.934 1.00 0.00 C ATOM 1360 C SER A 91 -2.674 -0.261 -9.341 1.00 0.00 C ATOM 1361 O SER A 91 -2.529 0.936 -9.081 1.00 0.00 O ATOM 1362 CB SER A 91 -3.747 -1.621 -7.548 1.00 0.00 C ATOM 1363 OG SER A 91 -4.350 -2.902 -7.472 1.00 0.00 O ATOM 0 H SER A 91 -4.293 -2.985 -9.534 1.00 0.00 H new ATOM 0 HA SER A 91 -4.759 -0.287 -8.902 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.683 -1.703 -7.326 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.181 -0.967 -6.792 1.00 0.00 H new ATOM 0 HG SER A 91 -4.213 -3.276 -6.576 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.763 -0.973 -9.983 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.521 -0.361 -10.416 1.00 0.00 C ATOM 1371 C VAL A 92 -0.721 0.431 -11.688 1.00 0.00 C ATOM 1372 O VAL A 92 -0.244 1.548 -11.787 1.00 0.00 O ATOM 1373 CB VAL A 92 0.621 -1.371 -10.634 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.796 -0.689 -11.334 1.00 0.00 C ATOM 1375 CG2 VAL A 92 1.059 -1.979 -9.309 1.00 0.00 C ATOM 0 H VAL A 92 -1.859 -1.962 -10.213 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.227 0.299 -9.600 1.00 0.00 H new ATOM 0 HB VAL A 92 0.259 -2.178 -11.271 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.599 -1.411 -11.484 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.470 -0.303 -12.300 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.158 0.134 -10.718 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.866 -2.690 -9.484 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.409 -1.189 -8.644 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.216 -2.494 -8.849 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.415 -0.143 -12.659 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.653 0.538 -13.904 1.00 0.00 C ATOM 1387 C ASN A 93 -2.190 1.934 -13.647 1.00 0.00 C ATOM 1388 O ASN A 93 -1.785 2.906 -14.291 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.611 -0.270 -14.760 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.842 0.512 -15.181 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -3.804 1.281 -16.141 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -4.940 0.318 -14.462 1.00 0.00 N ATOM 0 H ASN A 93 -1.819 -1.078 -12.601 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.712 0.637 -14.444 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.087 -0.618 -15.650 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.923 -1.156 -14.207 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.798 0.816 -14.697 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.926 -0.329 -13.674 1.00 0.00 H new ATOM 1399 N CYS A 94 -3.091 2.028 -12.680 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.672 3.303 -12.316 1.00 0.00 C ATOM 1401 C CYS A 94 -2.607 4.212 -11.725 1.00 0.00 C ATOM 1402 O CYS A 94 -2.476 5.367 -12.130 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.817 3.118 -11.326 1.00 0.00 C ATOM 1404 SG CYS A 94 -6.105 4.393 -11.472 1.00 0.00 S ATOM 0 H CYS A 94 -3.432 1.235 -12.137 1.00 0.00 H new ATOM 0 HA CYS A 94 -4.074 3.766 -13.217 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.267 2.137 -11.480 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.417 3.129 -10.312 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.840 3.692 -10.767 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.792 4.492 -10.151 1.00 0.00 C ATOM 1411 C ALA A 95 0.290 4.793 -11.170 1.00 0.00 C ATOM 1412 O ALA A 95 0.927 5.838 -11.120 1.00 0.00 O ATOM 1413 CB ALA A 95 -0.209 3.816 -8.936 1.00 0.00 C ATOM 0 H ALA A 95 -1.924 2.740 -10.409 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.237 5.428 -9.812 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.569 4.447 -8.507 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.994 3.655 -8.197 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.220 2.856 -9.224 1.00 0.00 H new ATOM 1419 N LYS A 96 0.473 3.874 -12.112 1.00 0.00 N ATOM 1420 CA LYS A 96 1.450 4.056 -13.167 1.00 0.00 C ATOM 1421 C LYS A 96 1.159 5.397 -13.821 1.00 0.00 C ATOM 1422 O LYS A 96 2.053 6.192 -14.126 1.00 0.00 O ATOM 1423 CB LYS A 96 1.344 2.931 -14.199 1.00 0.00 C ATOM 1424 CG LYS A 96 2.187 1.712 -13.862 1.00 0.00 C ATOM 1425 CD LYS A 96 2.479 0.879 -15.101 1.00 0.00 C ATOM 1426 CE LYS A 96 2.561 -0.602 -14.770 1.00 0.00 C ATOM 1427 NZ LYS A 96 1.356 -1.343 -15.235 1.00 0.00 N ATOM 0 H LYS A 96 -0.045 2.997 -12.162 1.00 0.00 H new ATOM 0 HA LYS A 96 2.461 4.033 -12.760 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.301 2.627 -14.287 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.648 3.314 -15.173 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.125 2.031 -13.407 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.667 1.100 -13.125 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.699 1.044 -15.844 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.418 1.206 -15.547 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.451 -1.029 -15.233 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.671 -0.728 -13.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.943 -1.869 -14.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.655 -0.669 -15.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.627 -2.009 -15.987 1.00 0.00 H new ATOM 1441 N LYS A 97 -0.140 5.639 -13.976 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.641 6.881 -14.539 1.00 0.00 C ATOM 1443 C LYS A 97 -0.592 7.978 -13.482 1.00 0.00 C ATOM 1444 O LYS A 97 -0.431 9.155 -13.801 1.00 0.00 O ATOM 1445 CB LYS A 97 -2.072 6.701 -15.048 1.00 0.00 C ATOM 1446 CG LYS A 97 -2.166 5.888 -16.329 1.00 0.00 C ATOM 1447 CD LYS A 97 -3.557 5.961 -16.935 1.00 0.00 C ATOM 1448 CE LYS A 97 -4.217 4.593 -16.980 1.00 0.00 C ATOM 1449 NZ LYS A 97 -3.685 3.756 -18.090 1.00 0.00 N ATOM 0 H LYS A 97 -0.871 4.978 -13.714 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.012 7.166 -15.382 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.665 6.214 -14.274 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.514 7.683 -15.218 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.435 6.256 -17.049 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.913 4.848 -16.121 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.174 6.645 -16.352 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.495 6.370 -17.944 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.057 4.081 -16.031 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.294 4.713 -17.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.592 2.771 -17.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.338 3.796 -18.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.753 4.115 -18.380 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.717 7.577 -12.216 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.670 8.523 -11.109 1.00 0.00 C ATOM 1465 C ILE A 98 0.699 9.193 -11.046 1.00 0.00 C ATOM 1466 O ILE A 98 0.810 10.415 -10.966 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.977 7.844 -9.758 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -2.458 7.452 -9.693 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.616 8.770 -8.604 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.828 6.679 -8.444 1.00 0.00 C ATOM 0 H ILE A 98 -0.851 6.605 -11.936 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.439 9.274 -11.290 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.373 6.941 -9.672 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.066 8.355 -9.745 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.705 6.851 -10.568 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.839 8.276 -7.658 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.447 9.009 -8.648 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.197 9.689 -8.679 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.890 6.436 -8.468 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.246 5.758 -8.400 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.614 7.285 -7.564 1.00 0.00 H new ATOM 1482 N VAL A 99 1.733 8.365 -11.080 1.00 0.00 N ATOM 1483 CA VAL A 99 3.111 8.828 -11.025 1.00 0.00 C ATOM 1484 C VAL A 99 3.554 9.429 -12.358 1.00 0.00 C ATOM 1485 O VAL A 99 4.515 10.196 -12.409 1.00 0.00 O ATOM 1486 CB VAL A 99 4.058 7.671 -10.656 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.095 6.635 -11.768 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.454 8.192 -10.355 1.00 0.00 C ATOM 0 H VAL A 99 1.639 7.351 -11.147 1.00 0.00 H new ATOM 0 HA VAL A 99 3.159 9.601 -10.258 1.00 0.00 H new ATOM 0 HB VAL A 99 3.676 7.190 -9.755 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.769 5.825 -11.489 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.094 6.235 -11.926 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.449 7.101 -12.688 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.106 7.358 -10.097 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.849 8.703 -11.233 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.409 8.890 -9.519 1.00 0.00 H new ATOM 1498 N SER A 100 2.852 9.082 -13.438 1.00 0.00 N ATOM 1499 CA SER A 100 3.191 9.599 -14.761 1.00 0.00 C ATOM 1500 C SER A 100 2.395 10.862 -15.087 1.00 0.00 C ATOM 1501 O SER A 100 2.638 11.513 -16.104 1.00 0.00 O ATOM 1502 CB SER A 100 2.934 8.535 -15.828 1.00 0.00 C ATOM 1503 OG SER A 100 1.568 8.511 -16.208 1.00 0.00 O ATOM 0 H SER A 100 2.052 8.450 -13.422 1.00 0.00 H new ATOM 0 HA SER A 100 4.250 9.856 -14.755 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.554 8.735 -16.702 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.226 7.556 -15.447 1.00 0.00 H new ATOM 0 HG SER A 100 1.431 7.823 -16.892 1.00 0.00 H new ATOM 1509 N ASP A 101 1.440 11.201 -14.225 1.00 0.00 N ATOM 1510 CA ASP A 101 0.610 12.385 -14.437 1.00 0.00 C ATOM 1511 C ASP A 101 0.633 13.308 -13.221 1.00 0.00 C ATOM 1512 O ASP A 101 0.203 14.458 -13.299 1.00 0.00 O ATOM 1513 CB ASP A 101 -0.829 11.976 -14.750 1.00 0.00 C ATOM 1514 CG ASP A 101 -1.446 12.824 -15.847 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -1.485 14.062 -15.688 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.889 12.249 -16.862 1.00 0.00 O ATOM 0 H ASP A 101 1.222 10.677 -13.378 1.00 0.00 H new ATOM 0 HA ASP A 101 1.023 12.930 -15.286 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.849 10.928 -15.050 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -1.433 12.060 -13.846 1.00 0.00 H new ATOM 1521 N GLY A 102 1.129 12.796 -12.100 1.00 0.00 N ATOM 1522 CA GLY A 102 1.188 13.593 -10.888 1.00 0.00 C ATOM 1523 C GLY A 102 2.529 13.500 -10.188 1.00 0.00 C ATOM 1524 O GLY A 102 3.565 13.815 -10.773 1.00 0.00 O ATOM 0 H GLY A 102 1.490 11.847 -12.008 1.00 0.00 H new ATOM 0 HA2 GLY A 102 0.983 14.635 -11.134 1.00 0.00 H new ATOM 0 HA3 GLY A 102 0.404 13.266 -10.205 1.00 0.00 H new ATOM 1528 N ASN A 103 2.506 13.069 -8.931 1.00 0.00 N ATOM 1529 CA ASN A 103 3.726 12.937 -8.143 1.00 0.00 C ATOM 1530 C ASN A 103 4.095 11.471 -7.956 1.00 0.00 C ATOM 1531 O ASN A 103 3.241 10.589 -8.056 1.00 0.00 O ATOM 1532 CB ASN A 103 3.556 13.611 -6.781 1.00 0.00 C ATOM 1533 CG ASN A 103 3.305 15.101 -6.900 1.00 0.00 C ATOM 1534 OD1 ASN A 103 2.202 15.532 -7.238 1.00 0.00 O ATOM 1535 ND2 ASN A 103 4.331 15.898 -6.622 1.00 0.00 N ATOM 0 H ASN A 103 1.654 12.805 -8.436 1.00 0.00 H new ATOM 0 HA ASN A 103 4.533 13.430 -8.684 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.725 13.147 -6.250 1.00 0.00 H new ATOM 0 HB3 ASN A 103 4.451 13.443 -6.181 1.00 0.00 H new ATOM 0 HD21 ASN A 103 4.222 16.910 -6.685 1.00 0.00 H new ATOM 0 HD22 ASN A 103 5.228 15.498 -6.346 1.00 0.00 H new ATOM 1542 N GLY A 104 5.371 11.216 -7.690 1.00 0.00 N ATOM 1543 CA GLY A 104 5.834 9.855 -7.499 1.00 0.00 C ATOM 1544 C GLY A 104 5.377 9.257 -6.184 1.00 0.00 C ATOM 1545 O GLY A 104 4.180 9.149 -5.928 1.00 0.00 O ATOM 0 H GLY A 104 6.094 11.930 -7.603 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.473 9.235 -8.320 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.923 9.837 -7.542 1.00 0.00 H new ATOM 1549 N MET A 105 6.337 8.875 -5.346 1.00 0.00 N ATOM 1550 CA MET A 105 6.037 8.288 -4.049 1.00 0.00 C ATOM 1551 C MET A 105 5.740 9.385 -3.046 1.00 0.00 C ATOM 1552 O MET A 105 5.637 9.137 -1.846 1.00 0.00 O ATOM 1553 CB MET A 105 7.222 7.458 -3.553 1.00 0.00 C ATOM 1554 CG MET A 105 8.060 6.858 -4.668 1.00 0.00 C ATOM 1555 SD MET A 105 7.072 5.976 -5.888 1.00 0.00 S ATOM 1556 CE MET A 105 6.093 4.933 -4.816 1.00 0.00 C ATOM 0 H MET A 105 7.333 8.963 -5.546 1.00 0.00 H new ATOM 0 HA MET A 105 5.167 7.640 -4.154 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.859 8.087 -2.931 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.850 6.654 -2.918 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.618 7.652 -5.164 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.793 6.175 -4.238 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.056 3.924 -5.226 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.544 4.906 -3.824 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.082 5.333 -4.744 1.00 0.00 H new ATOM 1566 N ASN A 106 5.619 10.606 -3.547 1.00 0.00 N ATOM 1567 CA ASN A 106 5.354 11.753 -2.704 1.00 0.00 C ATOM 1568 C ASN A 106 3.860 12.039 -2.627 1.00 0.00 C ATOM 1569 O ASN A 106 3.375 12.584 -1.635 1.00 0.00 O ATOM 1570 CB ASN A 106 6.097 12.967 -3.256 1.00 0.00 C ATOM 1571 CG ASN A 106 7.362 12.583 -3.996 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.356 12.413 -5.216 1.00 0.00 O ATOM 1573 ND2 ASN A 106 8.459 12.442 -3.261 1.00 0.00 N ATOM 0 H ASN A 106 5.701 10.824 -4.540 1.00 0.00 H new ATOM 0 HA ASN A 106 5.706 11.537 -1.695 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.439 13.517 -3.928 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.349 13.639 -2.436 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.340 12.184 -3.705 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.420 12.592 -2.253 1.00 0.00 H new ATOM 1580 N ALA A 107 3.132 11.667 -3.678 1.00 0.00 N ATOM 1581 CA ALA A 107 1.692 11.885 -3.722 1.00 0.00 C ATOM 1582 C ALA A 107 1.010 11.225 -2.532 1.00 0.00 C ATOM 1583 O ALA A 107 0.154 11.823 -1.879 1.00 0.00 O ATOM 1584 CB ALA A 107 1.118 11.351 -5.026 1.00 0.00 C ATOM 0 H ALA A 107 3.517 11.215 -4.507 1.00 0.00 H new ATOM 0 HA ALA A 107 1.505 12.958 -3.670 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.041 11.520 -5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.582 11.867 -5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.319 10.282 -5.101 1.00 0.00 H new ATOM 1590 N TRP A 108 1.398 9.985 -2.257 1.00 0.00 N ATOM 1591 CA TRP A 108 0.831 9.235 -1.148 1.00 0.00 C ATOM 1592 C TRP A 108 1.477 9.657 0.171 1.00 0.00 C ATOM 1593 O TRP A 108 2.679 9.915 0.237 1.00 0.00 O ATOM 1594 CB TRP A 108 0.990 7.737 -1.400 1.00 0.00 C ATOM 1595 CG TRP A 108 0.306 7.294 -2.660 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -1.022 7.018 -2.819 1.00 0.00 C ATOM 1597 CD2 TRP A 108 0.912 7.091 -3.943 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -1.278 6.655 -4.120 1.00 0.00 N ATOM 1599 CE2 TRP A 108 -0.106 6.688 -4.831 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.216 7.208 -4.427 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.142 6.404 -6.175 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.461 6.926 -5.757 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.431 6.529 -6.617 1.00 0.00 C ATOM 0 H TRP A 108 2.105 9.479 -2.790 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.234 9.454 -1.073 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.050 7.492 -1.460 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.582 7.184 -0.554 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.764 7.076 -2.036 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -2.192 6.402 -4.496 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.019 7.514 -3.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.652 6.098 -6.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.467 7.014 -6.140 1.00 0.00 H new ATOM 0 HH2 TRP A 108 1.658 6.317 -7.651 1.00 0.00 H new ATOM 1614 N VAL A 109 0.649 9.765 1.202 1.00 0.00 N ATOM 1615 CA VAL A 109 1.092 10.206 2.524 1.00 0.00 C ATOM 1616 C VAL A 109 1.767 9.118 3.346 1.00 0.00 C ATOM 1617 O VAL A 109 2.450 9.418 4.325 1.00 0.00 O ATOM 1618 CB VAL A 109 -0.079 10.727 3.337 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.379 11.777 4.337 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.179 11.272 2.437 1.00 0.00 C ATOM 0 H VAL A 109 -0.347 9.551 1.149 1.00 0.00 H new ATOM 0 HA VAL A 109 1.825 10.988 2.324 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.495 9.888 3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.478 12.135 4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.109 11.338 5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.835 12.612 3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.003 11.637 3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.784 12.090 1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.538 10.479 1.781 1.00 0.00 H new ATOM 1630 N ALA A 110 1.593 7.866 2.965 1.00 0.00 N ATOM 1631 CA ALA A 110 2.214 6.769 3.702 1.00 0.00 C ATOM 1632 C ALA A 110 3.707 6.719 3.428 1.00 0.00 C ATOM 1633 O ALA A 110 4.497 6.360 4.301 1.00 0.00 O ATOM 1634 CB ALA A 110 1.556 5.445 3.351 1.00 0.00 C ATOM 0 H ALA A 110 1.035 7.580 2.160 1.00 0.00 H new ATOM 0 HA ALA A 110 2.069 6.947 4.768 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.034 4.641 3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.497 5.486 3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.664 5.257 2.283 1.00 0.00 H new ATOM 1640 N TRP A 111 4.089 7.111 2.222 1.00 0.00 N ATOM 1641 CA TRP A 111 5.493 7.138 1.859 1.00 0.00 C ATOM 1642 C TRP A 111 6.126 8.408 2.407 1.00 0.00 C ATOM 1643 O TRP A 111 7.288 8.411 2.808 1.00 0.00 O ATOM 1644 CB TRP A 111 5.681 7.047 0.342 1.00 0.00 C ATOM 1645 CG TRP A 111 7.116 6.908 -0.072 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.772 5.749 -0.373 1.00 0.00 C ATOM 1647 CD2 TRP A 111 8.075 7.963 -0.228 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.077 6.017 -0.708 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.288 7.368 -0.627 1.00 0.00 C ATOM 1650 CE3 TRP A 111 8.026 9.351 -0.070 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.439 8.114 -0.869 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 9.169 10.090 -0.311 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.361 9.470 -0.707 1.00 0.00 C ATOM 0 H TRP A 111 3.451 7.412 1.485 1.00 0.00 H new ATOM 0 HA TRP A 111 5.986 6.269 2.295 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.117 6.194 -0.036 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.261 7.939 -0.123 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.329 4.764 -0.351 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.775 5.323 -0.974 1.00 0.00 H new ATOM 0 HE3 TRP A 111 7.111 9.837 0.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.360 7.639 -1.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 9.143 11.163 -0.192 1.00 0.00 H new ATOM 0 HH2 TRP A 111 11.237 10.075 -0.888 1.00 0.00 H new ATOM 1664 N ARG A 112 5.344 9.487 2.451 1.00 0.00 N ATOM 1665 CA ARG A 112 5.822 10.754 2.981 1.00 0.00 C ATOM 1666 C ARG A 112 5.495 10.868 4.465 1.00 0.00 C ATOM 1667 O ARG A 112 4.992 11.893 4.926 1.00 0.00 O ATOM 1668 CB ARG A 112 5.182 11.911 2.234 1.00 0.00 C ATOM 1669 CG ARG A 112 5.876 12.259 0.927 1.00 0.00 C ATOM 1670 CD ARG A 112 5.555 13.676 0.485 1.00 0.00 C ATOM 1671 NE ARG A 112 6.684 14.581 0.684 1.00 0.00 N ATOM 1672 CZ ARG A 112 6.597 15.738 1.335 1.00 0.00 C ATOM 1673 NH1 ARG A 112 5.438 16.129 1.848 1.00 0.00 N ATOM 1674 NH2 ARG A 112 7.670 16.504 1.472 1.00 0.00 N ATOM 0 H ARG A 112 4.378 9.504 2.125 1.00 0.00 H new ATOM 0 HA ARG A 112 6.903 10.793 2.849 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.140 11.665 2.027 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.180 12.790 2.878 1.00 0.00 H new ATOM 0 HG2 ARG A 112 6.954 12.150 1.046 1.00 0.00 H new ATOM 0 HG3 ARG A 112 5.568 11.557 0.152 1.00 0.00 H new ATOM 0 HD2 ARG A 112 5.275 13.672 -0.568 1.00 0.00 H new ATOM 0 HD3 ARG A 112 4.693 14.043 1.043 1.00 0.00 H new ATOM 0 HE ARG A 112 7.590 14.311 0.302 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.610 15.542 1.744 1.00 0.00 H new ATOM 0 HH12 ARG A 112 5.374 17.017 2.347 1.00 0.00 H new ATOM 0 HH21 ARG A 112 8.563 16.206 1.078 1.00 0.00 H new ATOM 0 HH22 ARG A 112 7.603 17.391 1.971 1.00 0.00 H new ATOM 1688 N ASN A 113 5.794 9.816 5.207 1.00 0.00 N ATOM 1689 CA ASN A 113 5.544 9.798 6.642 1.00 0.00 C ATOM 1690 C ASN A 113 6.509 8.855 7.346 1.00 0.00 C ATOM 1691 O ASN A 113 7.250 9.259 8.243 1.00 0.00 O ATOM 1692 CB ASN A 113 4.101 9.376 6.926 1.00 0.00 C ATOM 1693 CG ASN A 113 3.610 9.869 8.272 1.00 0.00 C ATOM 1694 OD1 ASN A 113 4.306 9.754 9.282 1.00 0.00 O ATOM 1695 ND2 ASN A 113 2.402 10.423 8.295 1.00 0.00 N ATOM 0 H ASN A 113 6.211 8.960 4.841 1.00 0.00 H new ATOM 0 HA ASN A 113 5.701 10.806 7.026 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.451 9.763 6.141 1.00 0.00 H new ATOM 0 HB3 ASN A 113 4.030 8.289 6.892 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.018 10.773 9.173 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.859 10.498 7.435 1.00 0.00 H new ATOM 1702 N ARG A 114 6.483 7.593 6.940 1.00 0.00 N ATOM 1703 CA ARG A 114 7.341 6.580 7.537 1.00 0.00 C ATOM 1704 C ARG A 114 8.338 6.011 6.531 1.00 0.00 C ATOM 1705 O ARG A 114 9.068 5.068 6.841 1.00 0.00 O ATOM 1706 CB ARG A 114 6.487 5.453 8.107 1.00 0.00 C ATOM 1707 CG ARG A 114 6.096 5.657 9.561 1.00 0.00 C ATOM 1708 CD ARG A 114 4.634 6.054 9.695 1.00 0.00 C ATOM 1709 NE ARG A 114 3.965 5.324 10.768 1.00 0.00 N ATOM 1710 CZ ARG A 114 3.481 5.903 11.863 1.00 0.00 C ATOM 1711 NH1 ARG A 114 3.594 7.213 12.031 1.00 0.00 N ATOM 1712 NH2 ARG A 114 2.885 5.169 12.793 1.00 0.00 N ATOM 0 H ARG A 114 5.875 7.246 6.198 1.00 0.00 H new ATOM 0 HA ARG A 114 7.910 7.057 8.335 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.582 5.356 7.507 1.00 0.00 H new ATOM 0 HB3 ARG A 114 7.033 4.514 8.015 1.00 0.00 H new ATOM 0 HG2 ARG A 114 6.277 4.739 10.120 1.00 0.00 H new ATOM 0 HG3 ARG A 114 6.726 6.429 10.003 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.565 7.125 9.887 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.119 5.866 8.753 1.00 0.00 H new ATOM 0 HE ARG A 114 3.863 4.314 10.672 1.00 0.00 H new ATOM 0 HH11 ARG A 114 4.053 7.781 11.319 1.00 0.00 H new ATOM 0 HH12 ARG A 114 3.221 7.653 12.872 1.00 0.00 H new ATOM 0 HH21 ARG A 114 2.798 4.160 12.668 1.00 0.00 H new ATOM 0 HH22 ARG A 114 2.514 5.613 13.633 1.00 0.00 H new ATOM 1726 N CYS A 115 8.363 6.572 5.329 1.00 0.00 N ATOM 1727 CA CYS A 115 9.273 6.094 4.292 1.00 0.00 C ATOM 1728 C CYS A 115 10.341 7.130 3.961 1.00 0.00 C ATOM 1729 O CYS A 115 11.532 6.816 3.937 1.00 0.00 O ATOM 1730 CB CYS A 115 8.491 5.727 3.032 1.00 0.00 C ATOM 1731 SG CYS A 115 7.609 4.139 3.148 1.00 0.00 S ATOM 0 H CYS A 115 7.769 7.352 5.048 1.00 0.00 H new ATOM 0 HA CYS A 115 9.776 5.206 4.676 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.770 6.517 2.820 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.179 5.688 2.187 1.00 0.00 H new ATOM 1736 N LYS A 116 9.914 8.361 3.698 1.00 0.00 N ATOM 1737 CA LYS A 116 10.841 9.435 3.360 1.00 0.00 C ATOM 1738 C LYS A 116 11.833 9.681 4.492 1.00 0.00 C ATOM 1739 O LYS A 116 11.557 10.445 5.417 1.00 0.00 O ATOM 1740 CB LYS A 116 10.073 10.721 3.052 1.00 0.00 C ATOM 1741 CG LYS A 116 10.907 11.774 2.341 1.00 0.00 C ATOM 1742 CD LYS A 116 10.738 13.142 2.979 1.00 0.00 C ATOM 1743 CE LYS A 116 10.369 14.196 1.947 1.00 0.00 C ATOM 1744 NZ LYS A 116 10.635 15.576 2.442 1.00 0.00 N ATOM 0 H LYS A 116 8.933 8.639 3.712 1.00 0.00 H new ATOM 0 HA LYS A 116 11.399 9.130 2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.207 10.478 2.435 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.693 11.139 3.984 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.958 11.486 2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 116 10.616 11.822 1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.964 13.094 3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 116 11.663 13.429 3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 116 10.936 14.023 1.033 1.00 0.00 H new ATOM 0 HE3 LYS A 116 9.314 14.099 1.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 10.483 16.257 1.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 9.989 15.793 3.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.618 15.642 2.774 1.00 0.00 H new ATOM 1758 N GLY A 117 12.991 9.032 4.409 1.00 0.00 N ATOM 1759 CA GLY A 117 14.006 9.201 5.431 1.00 0.00 C ATOM 1760 C GLY A 117 14.557 7.883 5.938 1.00 0.00 C ATOM 1761 O GLY A 117 15.314 7.858 6.910 1.00 0.00 O ATOM 0 H GLY A 117 13.243 8.394 3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.823 9.800 5.029 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.583 9.758 6.267 1.00 0.00 H new ATOM 1765 N THR A 118 14.186 6.783 5.287 1.00 0.00 N ATOM 1766 CA THR A 118 14.659 5.463 5.688 1.00 0.00 C ATOM 1767 C THR A 118 15.461 4.808 4.565 1.00 0.00 C ATOM 1768 O THR A 118 16.131 5.494 3.792 1.00 0.00 O ATOM 1769 CB THR A 118 13.484 4.546 6.078 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.588 4.398 4.971 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.732 5.110 7.274 1.00 0.00 C ATOM 0 H THR A 118 13.561 6.781 4.481 1.00 0.00 H new ATOM 0 HA THR A 118 15.304 5.599 6.556 1.00 0.00 H new ATOM 0 HB THR A 118 13.888 3.571 6.349 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.262 5.280 4.694 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.907 4.446 7.531 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.410 5.193 8.124 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.340 6.096 7.025 1.00 0.00 H new ATOM 1779 N ASP A 119 15.394 3.481 4.477 1.00 0.00 N ATOM 1780 CA ASP A 119 16.121 2.750 3.445 1.00 0.00 C ATOM 1781 C ASP A 119 15.230 1.738 2.735 1.00 0.00 C ATOM 1782 O ASP A 119 15.024 0.624 3.218 1.00 0.00 O ATOM 1783 CB ASP A 119 17.319 2.053 4.039 1.00 0.00 C ATOM 1784 CG ASP A 119 18.462 1.916 3.052 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.293 1.197 2.044 1.00 0.00 O ATOM 1786 OD2 ASP A 119 19.525 2.527 3.286 1.00 0.00 O ATOM 0 H ASP A 119 14.846 2.894 5.105 1.00 0.00 H new ATOM 0 HA ASP A 119 16.457 3.477 2.706 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.662 2.608 4.912 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.023 1.063 4.387 1.00 0.00 H new ATOM 1791 N VAL A 120 14.710 2.138 1.582 1.00 0.00 N ATOM 1792 CA VAL A 120 13.844 1.282 0.785 1.00 0.00 C ATOM 1793 C VAL A 120 14.643 0.151 0.153 1.00 0.00 C ATOM 1794 O VAL A 120 14.154 -0.972 0.026 1.00 0.00 O ATOM 1795 CB VAL A 120 13.131 2.079 -0.324 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.116 3.039 0.277 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.142 2.829 -1.180 1.00 0.00 C ATOM 0 H VAL A 120 14.876 3.059 1.176 1.00 0.00 H new ATOM 0 HA VAL A 120 13.092 0.867 1.457 1.00 0.00 H new ATOM 0 HB VAL A 120 12.598 1.376 -0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.622 3.593 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.373 2.476 0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.625 3.737 0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.619 3.386 -1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.706 3.521 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.827 2.118 -1.642 1.00 0.00 H new ATOM 1807 N GLN A 121 15.881 0.451 -0.230 1.00 0.00 N ATOM 1808 CA GLN A 121 16.752 -0.548 -0.829 1.00 0.00 C ATOM 1809 C GLN A 121 16.947 -1.700 0.143 1.00 0.00 C ATOM 1810 O GLN A 121 17.262 -2.823 -0.252 1.00 0.00 O ATOM 1811 CB GLN A 121 18.104 0.068 -1.196 1.00 0.00 C ATOM 1812 CG GLN A 121 18.286 0.290 -2.688 1.00 0.00 C ATOM 1813 CD GLN A 121 19.714 0.650 -3.053 1.00 0.00 C ATOM 1814 OE1 GLN A 121 20.653 -0.065 -2.711 1.00 0.00 O ATOM 1815 NE2 GLN A 121 19.881 1.766 -3.753 1.00 0.00 N ATOM 0 H GLN A 121 16.300 1.376 -0.135 1.00 0.00 H new ATOM 0 HA GLN A 121 16.288 -0.921 -1.742 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.212 1.022 -0.679 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.900 -0.582 -0.834 1.00 0.00 H new ATOM 0 HG2 GLN A 121 17.994 -0.613 -3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 121 17.619 1.086 -3.017 1.00 0.00 H new ATOM 0 HE21 GLN A 121 19.072 2.329 -4.015 1.00 0.00 H new ATOM 0 HE22 GLN A 121 20.818 2.060 -4.028 1.00 0.00 H new ATOM 1824 N ALA A 122 16.738 -1.407 1.424 1.00 0.00 N ATOM 1825 CA ALA A 122 16.868 -2.402 2.474 1.00 0.00 C ATOM 1826 C ALA A 122 15.535 -3.102 2.714 1.00 0.00 C ATOM 1827 O ALA A 122 15.495 -4.216 3.234 1.00 0.00 O ATOM 1828 CB ALA A 122 17.370 -1.757 3.756 1.00 0.00 C ATOM 0 H ALA A 122 16.476 -0.479 1.757 1.00 0.00 H new ATOM 0 HA ALA A 122 17.595 -3.148 2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.462 -2.516 4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.344 -1.301 3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.665 -0.991 4.078 1.00 0.00 H new ATOM 1834 N TRP A 123 14.443 -2.440 2.328 1.00 0.00 N ATOM 1835 CA TRP A 123 13.108 -3.010 2.503 1.00 0.00 C ATOM 1836 C TRP A 123 12.963 -4.315 1.722 1.00 0.00 C ATOM 1837 O TRP A 123 12.048 -5.100 1.972 1.00 0.00 O ATOM 1838 CB TRP A 123 12.036 -2.014 2.058 1.00 0.00 C ATOM 1839 CG TRP A 123 11.562 -1.118 3.164 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.470 0.243 3.132 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.117 -1.518 4.466 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.996 0.709 4.333 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.773 -0.357 5.165 1.00 0.00 C ATOM 1844 CE3 TRP A 123 10.973 -2.746 5.109 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.298 -0.395 6.468 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.503 -2.782 6.402 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.169 -1.610 7.071 1.00 0.00 C ATOM 0 H TRP A 123 14.457 -1.516 1.896 1.00 0.00 H new ATOM 0 HA TRP A 123 12.973 -3.225 3.563 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.433 -1.401 1.248 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.185 -2.563 1.655 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.731 0.862 2.287 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.836 1.689 4.568 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.228 -3.662 4.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.038 0.514 6.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.392 -3.732 6.903 1.00 0.00 H new ATOM 0 HH2 TRP A 123 9.801 -1.663 8.085 1.00 0.00 H new ATOM 1858 N ILE A 124 13.878 -4.545 0.784 1.00 0.00 N ATOM 1859 CA ILE A 124 13.861 -5.758 -0.026 1.00 0.00 C ATOM 1860 C ILE A 124 15.203 -6.478 0.059 1.00 0.00 C ATOM 1861 O ILE A 124 15.485 -7.390 -0.719 1.00 0.00 O ATOM 1862 CB ILE A 124 13.543 -5.456 -1.501 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.323 -4.229 -1.977 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.047 -5.249 -1.690 1.00 0.00 C ATOM 1865 CD1 ILE A 124 14.779 -4.324 -3.416 1.00 0.00 C ATOM 0 H ILE A 124 14.642 -3.905 0.566 1.00 0.00 H new ATOM 0 HA ILE A 124 13.074 -6.397 0.374 1.00 0.00 H new ATOM 0 HB ILE A 124 13.850 -6.311 -2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.698 -3.343 -1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.194 -4.091 -1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.839 -5.036 -2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.514 -6.151 -1.390 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.715 -4.411 -1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.325 -3.420 -3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.430 -5.190 -3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 124 13.911 -4.431 -4.066 1.00 0.00 H new ATOM 1877 N ARG A 125 16.023 -6.054 1.014 1.00 0.00 N ATOM 1878 CA ARG A 125 17.341 -6.646 1.218 1.00 0.00 C ATOM 1879 C ARG A 125 17.222 -8.095 1.683 1.00 0.00 C ATOM 1880 O ARG A 125 17.104 -8.366 2.879 1.00 0.00 O ATOM 1881 CB ARG A 125 18.135 -5.832 2.242 1.00 0.00 C ATOM 1882 CG ARG A 125 19.634 -6.082 2.187 1.00 0.00 C ATOM 1883 CD ARG A 125 20.345 -5.464 3.379 1.00 0.00 C ATOM 1884 NE ARG A 125 21.729 -5.918 3.487 1.00 0.00 N ATOM 1885 CZ ARG A 125 22.153 -6.780 4.407 1.00 0.00 C ATOM 1886 NH1 ARG A 125 21.304 -7.279 5.295 1.00 0.00 N ATOM 1887 NH2 ARG A 125 23.428 -7.145 4.438 1.00 0.00 N ATOM 0 H ARG A 125 15.797 -5.299 1.662 1.00 0.00 H new ATOM 0 HA ARG A 125 17.869 -6.633 0.265 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.946 -4.771 2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.772 -6.068 3.242 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.825 -7.155 2.164 1.00 0.00 H new ATOM 0 HG3 ARG A 125 20.040 -5.667 1.264 1.00 0.00 H new ATOM 0 HD2 ARG A 125 20.326 -4.378 3.289 1.00 0.00 H new ATOM 0 HD3 ARG A 125 19.808 -5.718 4.293 1.00 0.00 H new ATOM 0 HE ARG A 125 22.409 -5.554 2.819 1.00 0.00 H new ATOM 0 HH11 ARG A 125 20.323 -7.002 5.274 1.00 0.00 H new ATOM 0 HH12 ARG A 125 21.632 -7.940 5.999 1.00 0.00 H new ATOM 0 HH21 ARG A 125 24.084 -6.765 3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 125 23.752 -7.806 5.144 1.00 0.00 H new ATOM 1901 N GLY A 126 17.255 -9.021 0.730 1.00 0.00 N ATOM 1902 CA GLY A 126 17.151 -10.430 1.061 1.00 0.00 C ATOM 1903 C GLY A 126 16.055 -11.133 0.282 1.00 0.00 C ATOM 1904 O GLY A 126 15.918 -12.354 0.353 1.00 0.00 O ATOM 0 H GLY A 126 17.352 -8.821 -0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.105 -10.918 0.860 1.00 0.00 H new ATOM 0 HA3 GLY A 126 16.958 -10.535 2.129 1.00 0.00 H new ATOM 1908 N CYS A 127 15.270 -10.358 -0.462 1.00 0.00 N ATOM 1909 CA CYS A 127 14.180 -10.906 -1.254 1.00 0.00 C ATOM 1910 C CYS A 127 14.699 -11.820 -2.358 1.00 0.00 C ATOM 1911 O CYS A 127 15.895 -12.104 -2.433 1.00 0.00 O ATOM 1912 CB CYS A 127 13.355 -9.782 -1.845 1.00 0.00 C ATOM 1913 SG CYS A 127 11.964 -9.250 -0.798 1.00 0.00 S ATOM 0 H CYS A 127 15.372 -9.345 -0.531 1.00 0.00 H new ATOM 0 HA CYS A 127 13.551 -11.505 -0.596 1.00 0.00 H new ATOM 0 HB2 CYS A 127 14.005 -8.927 -2.029 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.966 -10.101 -2.812 1.00 0.00 H new ATOM 1918 N ARG A 128 13.793 -12.281 -3.214 1.00 0.00 N ATOM 1919 CA ARG A 128 14.160 -13.166 -4.314 1.00 0.00 C ATOM 1920 C ARG A 128 13.642 -12.630 -5.645 1.00 0.00 C ATOM 1921 O ARG A 128 12.613 -13.080 -6.150 1.00 0.00 O ATOM 1922 CB ARG A 128 13.610 -14.573 -4.069 1.00 0.00 C ATOM 1923 CG ARG A 128 13.957 -15.133 -2.699 1.00 0.00 C ATOM 1924 CD ARG A 128 12.746 -15.147 -1.780 1.00 0.00 C ATOM 1925 NE ARG A 128 12.836 -16.202 -0.774 1.00 0.00 N ATOM 1926 CZ ARG A 128 11.796 -16.922 -0.364 1.00 0.00 C ATOM 1927 NH1 ARG A 128 10.592 -16.704 -0.874 1.00 0.00 N ATOM 1928 NH2 ARG A 128 11.960 -17.864 0.555 1.00 0.00 N ATOM 0 H ARG A 128 12.799 -12.056 -3.167 1.00 0.00 H new ATOM 0 HA ARG A 128 15.248 -13.210 -4.362 1.00 0.00 H new ATOM 0 HB2 ARG A 128 12.526 -14.555 -4.181 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.998 -15.244 -4.835 1.00 0.00 H new ATOM 0 HG2 ARG A 128 14.345 -16.146 -2.806 1.00 0.00 H new ATOM 0 HG3 ARG A 128 14.749 -14.534 -2.250 1.00 0.00 H new ATOM 0 HD2 ARG A 128 12.655 -14.180 -1.285 1.00 0.00 H new ATOM 0 HD3 ARG A 128 11.842 -15.287 -2.373 1.00 0.00 H new ATOM 0 HE ARG A 128 13.749 -16.398 -0.363 1.00 0.00 H new ATOM 0 HH11 ARG A 128 10.461 -15.982 -1.583 1.00 0.00 H new ATOM 0 HH12 ARG A 128 9.796 -17.258 -0.558 1.00 0.00 H new ATOM 0 HH21 ARG A 128 12.885 -18.037 0.948 1.00 0.00 H new ATOM 0 HH22 ARG A 128 11.161 -18.415 0.868 1.00 0.00 H new ATOM 1942 N LEU A 129 14.363 -11.665 -6.209 1.00 0.00 N ATOM 1943 CA LEU A 129 13.979 -11.068 -7.484 1.00 0.00 C ATOM 1944 C LEU A 129 15.184 -10.444 -8.178 1.00 0.00 C ATOM 1945 O LEU A 129 15.232 -10.484 -9.426 1.00 0.00 O ATOM 1946 CB LEU A 129 12.895 -10.008 -7.268 1.00 0.00 C ATOM 1947 CG LEU A 129 13.221 -8.957 -6.206 1.00 0.00 C ATOM 1948 CD1 LEU A 129 13.223 -7.564 -6.817 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.226 -9.036 -5.058 1.00 0.00 C ATOM 1950 OXT LEU A 129 16.071 -9.923 -7.470 1.00 0.00 O ATOM 0 H LEU A 129 15.216 -11.280 -5.803 1.00 0.00 H new ATOM 0 HA LEU A 129 13.584 -11.858 -8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 129 12.710 -9.501 -8.215 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.968 -10.509 -6.989 1.00 0.00 H new ATOM 0 HG LEU A 129 14.217 -9.160 -5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 129 13.457 -6.829 -6.047 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.973 -7.514 -7.606 1.00 0.00 H new ATOM 0 HD13 LEU A 129 12.240 -7.349 -7.237 1.00 0.00 H new ATOM 0 HD21 LEU A 129 12.472 -8.282 -4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.219 -8.858 -5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.273 -10.026 -4.603 1.00 0.00 H new TER 1962 LEU A 129