USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 607 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 43 TYR OH : rot 180:sc= -0.0296 USER MOD Set 1.2: A 75 CYS SG : rot 80:sc= -3.41 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -4.2! C(o=-4.2!,f=-3.8!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -156:sc= -0.203 (180deg=-1.45!) USER MOD Single : A 50 THR OG1 : rot 141:sc= -1.27 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.309 X(o=-0.31,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 147:sc= -0.317 (180deg=-1.57!) USER MOD Single : A 74 ASN : amide:sc=-0.00916 K(o=-0.0092,f=-1.4!) USER MOD Single : A 79 THR OG1 : rot 89:sc= 1.28 USER MOD Single : A 80 TYR OH : rot -18:sc= -3.31! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 180:sc= -0.0551 (180deg=-0.0551) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0108 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 94 ASN : amide:sc= -0.0635 K(o=-0.063,f=-3.5!) USER MOD Single : A 96 THR OG1 : rot -98:sc= -1.2 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 100 SER OG : rot 180:sc= -1.59! USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 104 LYS NZ :NH3+ 133:sc= -0.117 (180deg=-0.827) USER MOD Single : A 106 ASN : amide:sc= -3.53! K(o=-3.5!,f=-1.4) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.416 K(o=-0.42,f=-3.1!) USER MOD Single : A 113 MET CE :methyl 151:sc= -0.14 (180deg=-0.996) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 35 -41.611 12.242 13.031 1.00 0.00 N ATOM 2 CA ALA A 35 -40.173 12.239 12.642 1.00 0.00 C ATOM 3 C ALA A 35 -39.900 11.061 11.704 1.00 0.00 C ATOM 4 O ALA A 35 -39.465 11.236 10.583 1.00 0.00 O ATOM 5 CB ALA A 35 -39.306 12.105 13.895 1.00 0.00 C ATOM 0 HA ALA A 35 -39.933 13.172 12.132 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -38.254 12.103 13.611 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -39.500 12.944 14.563 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -39.546 11.172 14.405 1.00 0.00 H new ATOM 11 N PRO A 36 -40.163 9.835 12.180 1.00 0.00 N ATOM 12 CA PRO A 36 -39.950 8.615 11.392 1.00 0.00 C ATOM 13 C PRO A 36 -40.951 8.500 10.238 1.00 0.00 C ATOM 14 O PRO A 36 -42.089 8.912 10.348 1.00 0.00 O ATOM 15 CB PRO A 36 -40.185 7.492 12.401 1.00 0.00 C ATOM 16 CG PRO A 36 -41.078 8.094 13.432 1.00 0.00 C ATOM 17 CD PRO A 36 -40.691 9.543 13.524 1.00 0.00 C ATOM 0 HA PRO A 36 -38.962 8.593 10.932 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -40.651 6.627 11.930 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -39.247 7.150 12.839 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -42.126 7.988 13.150 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -40.954 7.596 14.394 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -41.546 10.174 13.767 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -39.941 9.711 14.297 1.00 0.00 H new ATOM 25 N ARG A 37 -40.537 7.943 9.134 1.00 0.00 N ATOM 26 CA ARG A 37 -41.465 7.801 7.977 1.00 0.00 C ATOM 27 C ARG A 37 -41.658 6.317 7.656 1.00 0.00 C ATOM 28 O ARG A 37 -40.818 5.493 7.956 1.00 0.00 O ATOM 29 CB ARG A 37 -40.871 8.513 6.759 1.00 0.00 C ATOM 30 CG ARG A 37 -40.749 10.009 7.054 1.00 0.00 C ATOM 31 CD ARG A 37 -40.257 10.737 5.801 1.00 0.00 C ATOM 32 NE ARG A 37 -39.943 12.154 6.142 1.00 0.00 N ATOM 33 CZ ARG A 37 -38.702 12.555 6.183 1.00 0.00 C ATOM 34 NH1 ARG A 37 -37.904 12.311 5.179 1.00 0.00 N ATOM 35 NH2 ARG A 37 -38.258 13.201 7.226 1.00 0.00 N ATOM 0 H ARG A 37 -39.596 7.580 8.983 1.00 0.00 H new ATOM 0 HA ARG A 37 -42.428 8.246 8.226 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -39.892 8.097 6.523 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -41.504 8.354 5.886 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -41.714 10.409 7.365 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -40.055 10.173 7.879 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -39.371 10.242 5.404 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -41.019 10.699 5.022 1.00 0.00 H new ATOM 0 HE ARG A 37 -40.698 12.810 6.343 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -38.251 11.807 4.363 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -36.934 12.624 5.211 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -38.881 13.393 8.010 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -37.288 13.514 7.257 1.00 0.00 H new ATOM 49 N LYS A 38 -42.761 5.970 7.052 1.00 0.00 N ATOM 50 CA LYS A 38 -43.007 4.540 6.715 1.00 0.00 C ATOM 51 C LYS A 38 -42.430 4.232 5.331 1.00 0.00 C ATOM 52 O LYS A 38 -42.680 4.937 4.374 1.00 0.00 O ATOM 53 CB LYS A 38 -44.513 4.268 6.711 1.00 0.00 C ATOM 54 CG LYS A 38 -45.067 4.449 8.126 1.00 0.00 C ATOM 55 CD LYS A 38 -46.547 4.060 8.146 1.00 0.00 C ATOM 56 CE LYS A 38 -47.142 4.391 9.516 1.00 0.00 C ATOM 57 NZ LYS A 38 -48.498 4.985 9.338 1.00 0.00 N ATOM 0 H LYS A 38 -43.502 6.615 6.777 1.00 0.00 H new ATOM 0 HA LYS A 38 -42.524 3.905 7.458 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -45.015 4.948 6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -44.710 3.256 6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -44.508 3.832 8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -44.947 5.484 8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -47.086 4.596 7.364 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -46.657 2.996 7.937 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -47.205 3.489 10.125 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -46.494 5.089 10.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -48.903 5.210 10.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -48.424 5.855 8.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -49.113 4.305 8.848 1.00 0.00 H new ATOM 71 N GLY A 39 -41.662 3.184 5.219 1.00 0.00 N ATOM 72 CA GLY A 39 -41.072 2.831 3.897 1.00 0.00 C ATOM 73 C GLY A 39 -39.778 3.620 3.685 1.00 0.00 C ATOM 74 O GLY A 39 -39.247 4.220 4.598 1.00 0.00 O ATOM 0 H GLY A 39 -41.417 2.557 5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -40.869 1.761 3.852 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -41.781 3.055 3.100 1.00 0.00 H new ATOM 78 N ASN A 40 -39.268 3.624 2.484 1.00 0.00 N ATOM 79 CA ASN A 40 -38.009 4.372 2.210 1.00 0.00 C ATOM 80 C ASN A 40 -37.792 4.461 0.697 1.00 0.00 C ATOM 81 O ASN A 40 -37.258 3.556 0.085 1.00 0.00 O ATOM 82 CB ASN A 40 -36.830 3.642 2.855 1.00 0.00 C ATOM 83 CG ASN A 40 -35.616 4.571 2.901 1.00 0.00 C ATOM 84 OD1 ASN A 40 -35.669 5.684 2.418 1.00 0.00 O ATOM 85 ND2 ASN A 40 -34.515 4.157 3.467 1.00 0.00 N ATOM 0 H ASN A 40 -39.669 3.141 1.680 1.00 0.00 H new ATOM 0 HA ASN A 40 -38.083 5.376 2.627 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -37.094 3.322 3.863 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -36.591 2.743 2.287 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -33.699 4.768 3.504 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -34.470 3.222 3.873 1.00 0.00 H new ATOM 92 N THR A 41 -38.203 5.540 0.091 1.00 0.00 N ATOM 93 CA THR A 41 -38.023 5.683 -1.381 1.00 0.00 C ATOM 94 C THR A 41 -36.623 6.226 -1.677 1.00 0.00 C ATOM 95 O THR A 41 -36.182 7.191 -1.086 1.00 0.00 O ATOM 96 CB THR A 41 -39.072 6.652 -1.931 1.00 0.00 C ATOM 97 OG1 THR A 41 -40.369 6.196 -1.573 1.00 0.00 O ATOM 98 CG2 THR A 41 -38.956 6.722 -3.455 1.00 0.00 C ATOM 0 H THR A 41 -38.656 6.329 0.552 1.00 0.00 H new ATOM 0 HA THR A 41 -38.141 4.709 -1.856 1.00 0.00 H new ATOM 0 HB THR A 41 -38.906 7.644 -1.511 1.00 0.00 H new ATOM 0 HG1 THR A 41 -41.042 6.816 -1.923 1.00 0.00 H new ATOM 0 HG21 THR A 41 -39.704 7.412 -3.845 1.00 0.00 H new ATOM 0 HG22 THR A 41 -37.961 7.072 -3.728 1.00 0.00 H new ATOM 0 HG23 THR A 41 -39.121 5.731 -3.878 1.00 0.00 H new ATOM 106 N LEU A 42 -35.923 5.614 -2.593 1.00 0.00 N ATOM 107 CA LEU A 42 -34.554 6.094 -2.931 1.00 0.00 C ATOM 108 C LEU A 42 -34.585 6.791 -4.293 1.00 0.00 C ATOM 109 O LEU A 42 -35.450 6.540 -5.108 1.00 0.00 O ATOM 110 CB LEU A 42 -33.597 4.902 -2.991 1.00 0.00 C ATOM 111 CG LEU A 42 -33.567 4.204 -1.631 1.00 0.00 C ATOM 112 CD1 LEU A 42 -34.684 3.160 -1.568 1.00 0.00 C ATOM 113 CD2 LEU A 42 -32.214 3.515 -1.439 1.00 0.00 C ATOM 0 H LEU A 42 -36.241 4.802 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 42 -34.214 6.795 -2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -33.918 4.203 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -32.596 5.239 -3.261 1.00 0.00 H new ATOM 0 HG LEU A 42 -33.714 4.942 -0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -34.663 2.662 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -35.648 3.650 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -34.538 2.423 -2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -32.193 3.018 -0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -32.066 2.778 -2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -31.418 4.258 -1.483 1.00 0.00 H new ATOM 125 N TYR A 43 -33.650 7.665 -4.548 1.00 0.00 N ATOM 126 CA TYR A 43 -33.634 8.372 -5.859 1.00 0.00 C ATOM 127 C TYR A 43 -32.466 7.858 -6.703 1.00 0.00 C ATOM 128 O TYR A 43 -31.319 8.153 -6.438 1.00 0.00 O ATOM 129 CB TYR A 43 -33.471 9.875 -5.626 1.00 0.00 C ATOM 130 CG TYR A 43 -33.518 10.598 -6.951 1.00 0.00 C ATOM 131 CD1 TYR A 43 -34.747 11.013 -7.478 1.00 0.00 C ATOM 132 CD2 TYR A 43 -32.334 10.850 -7.654 1.00 0.00 C ATOM 133 CE1 TYR A 43 -34.791 11.682 -8.706 1.00 0.00 C ATOM 134 CE2 TYR A 43 -32.378 11.519 -8.883 1.00 0.00 C ATOM 135 CZ TYR A 43 -33.608 11.935 -9.409 1.00 0.00 C ATOM 136 OH TYR A 43 -33.652 12.594 -10.621 1.00 0.00 O ATOM 0 H TYR A 43 -32.899 7.919 -3.907 1.00 0.00 H new ATOM 0 HA TYR A 43 -34.571 8.184 -6.383 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -34.263 10.240 -4.972 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -32.525 10.075 -5.124 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -35.661 10.817 -6.937 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -31.386 10.528 -7.248 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -35.739 12.003 -9.112 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -31.465 11.714 -9.425 1.00 0.00 H new ATOM 0 HH TYR A 43 -32.743 12.689 -10.975 1.00 0.00 H new ATOM 146 N VAL A 44 -32.751 7.091 -7.719 1.00 0.00 N ATOM 147 CA VAL A 44 -31.659 6.558 -8.581 1.00 0.00 C ATOM 148 C VAL A 44 -31.592 7.368 -9.877 1.00 0.00 C ATOM 149 O VAL A 44 -32.596 7.816 -10.393 1.00 0.00 O ATOM 150 CB VAL A 44 -31.939 5.090 -8.911 1.00 0.00 C ATOM 151 CG1 VAL A 44 -30.744 4.498 -9.662 1.00 0.00 C ATOM 152 CG2 VAL A 44 -32.163 4.309 -7.613 1.00 0.00 C ATOM 0 H VAL A 44 -33.694 6.810 -7.990 1.00 0.00 H new ATOM 0 HA VAL A 44 -30.708 6.636 -8.053 1.00 0.00 H new ATOM 0 HB VAL A 44 -32.830 5.022 -9.535 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -30.944 3.452 -9.897 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -30.584 5.053 -10.586 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -29.853 4.566 -9.039 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -32.363 3.263 -7.847 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -31.272 4.377 -6.989 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -33.014 4.730 -7.078 1.00 0.00 H new ATOM 162 N TYR A 45 -30.415 7.556 -10.410 1.00 0.00 N ATOM 163 CA TYR A 45 -30.286 8.336 -11.674 1.00 0.00 C ATOM 164 C TYR A 45 -29.308 7.627 -12.611 1.00 0.00 C ATOM 165 O TYR A 45 -28.311 7.078 -12.186 1.00 0.00 O ATOM 166 CB TYR A 45 -29.763 9.738 -11.358 1.00 0.00 C ATOM 167 CG TYR A 45 -29.647 10.530 -12.638 1.00 0.00 C ATOM 168 CD1 TYR A 45 -30.740 11.269 -13.106 1.00 0.00 C ATOM 169 CD2 TYR A 45 -28.445 10.525 -13.358 1.00 0.00 C ATOM 170 CE1 TYR A 45 -30.633 12.003 -14.294 1.00 0.00 C ATOM 171 CE2 TYR A 45 -28.338 11.258 -14.546 1.00 0.00 C ATOM 172 CZ TYR A 45 -29.431 11.998 -15.014 1.00 0.00 C ATOM 173 OH TYR A 45 -29.326 12.721 -16.184 1.00 0.00 O ATOM 0 H TYR A 45 -29.538 7.204 -10.025 1.00 0.00 H new ATOM 0 HA TYR A 45 -31.261 8.413 -12.155 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -30.437 10.242 -10.665 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -28.792 9.674 -10.868 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -31.666 11.273 -12.551 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -27.601 9.956 -12.997 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -31.477 12.573 -14.655 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -27.412 11.253 -15.102 1.00 0.00 H new ATOM 0 HH TYR A 45 -28.427 12.610 -16.557 1.00 0.00 H new ATOM 183 N GLY A 46 -29.585 7.633 -13.886 1.00 0.00 N ATOM 184 CA GLY A 46 -28.669 6.958 -14.849 1.00 0.00 C ATOM 185 C GLY A 46 -29.243 7.066 -16.263 1.00 0.00 C ATOM 186 O GLY A 46 -30.272 7.675 -16.480 1.00 0.00 O ATOM 0 H GLY A 46 -30.404 8.075 -14.302 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -27.681 7.417 -14.810 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -28.544 5.910 -14.575 1.00 0.00 H new ATOM 190 N GLU A 47 -28.585 6.482 -17.226 1.00 0.00 N ATOM 191 CA GLU A 47 -29.093 6.550 -18.625 1.00 0.00 C ATOM 192 C GLU A 47 -29.308 5.133 -19.157 1.00 0.00 C ATOM 193 O GLU A 47 -28.632 4.204 -18.764 1.00 0.00 O ATOM 194 CB GLU A 47 -28.071 7.274 -19.503 1.00 0.00 C ATOM 195 CG GLU A 47 -27.802 8.668 -18.931 1.00 0.00 C ATOM 196 CD GLU A 47 -26.815 9.409 -19.836 1.00 0.00 C ATOM 197 OE1 GLU A 47 -26.248 8.771 -20.708 1.00 0.00 O ATOM 198 OE2 GLU A 47 -26.643 10.601 -19.643 1.00 0.00 O ATOM 0 H GLU A 47 -27.717 5.960 -17.105 1.00 0.00 H new ATOM 0 HA GLU A 47 -30.038 7.093 -18.643 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -27.144 6.702 -19.547 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -28.445 7.354 -20.524 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -28.734 9.228 -18.856 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -27.397 8.587 -17.922 1.00 0.00 H new ATOM 205 N ASP A 48 -30.246 4.958 -20.047 1.00 0.00 N ATOM 206 CA ASP A 48 -30.501 3.598 -20.600 1.00 0.00 C ATOM 207 C ASP A 48 -30.578 2.589 -19.452 1.00 0.00 C ATOM 208 O ASP A 48 -29.843 1.622 -19.412 1.00 0.00 O ATOM 209 CB ASP A 48 -29.360 3.210 -21.544 1.00 0.00 C ATOM 210 CG ASP A 48 -29.315 4.191 -22.718 1.00 0.00 C ATOM 211 OD1 ASP A 48 -30.286 4.906 -22.906 1.00 0.00 O ATOM 212 OD2 ASP A 48 -28.310 4.210 -23.410 1.00 0.00 O ATOM 0 H ASP A 48 -30.846 5.697 -20.415 1.00 0.00 H new ATOM 0 HA ASP A 48 -31.443 3.598 -21.149 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -28.410 3.222 -21.009 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -29.506 2.194 -21.910 1.00 0.00 H new ATOM 217 N MET A 49 -31.461 2.807 -18.516 1.00 0.00 N ATOM 218 CA MET A 49 -31.582 1.862 -17.371 1.00 0.00 C ATOM 219 C MET A 49 -32.821 0.984 -17.562 1.00 0.00 C ATOM 220 O MET A 49 -33.856 1.440 -18.004 1.00 0.00 O ATOM 221 CB MET A 49 -31.714 2.653 -16.068 1.00 0.00 C ATOM 222 CG MET A 49 -30.388 3.349 -15.758 1.00 0.00 C ATOM 223 SD MET A 49 -30.425 3.991 -14.065 1.00 0.00 S ATOM 224 CE MET A 49 -31.901 5.022 -14.247 1.00 0.00 C ATOM 0 H MET A 49 -32.104 3.599 -18.495 1.00 0.00 H new ATOM 0 HA MET A 49 -30.694 1.232 -17.325 1.00 0.00 H new ATOM 0 HB2 MET A 49 -32.512 3.390 -16.157 1.00 0.00 H new ATOM 0 HB3 MET A 49 -31.986 1.985 -15.251 1.00 0.00 H new ATOM 0 HG2 MET A 49 -29.561 2.648 -15.875 1.00 0.00 H new ATOM 0 HG3 MET A 49 -30.218 4.163 -16.463 1.00 0.00 H new ATOM 0 HE1 MET A 49 -31.882 5.820 -13.504 1.00 0.00 H new ATOM 0 HE2 MET A 49 -31.920 5.457 -15.246 1.00 0.00 H new ATOM 0 HE3 MET A 49 -32.792 4.411 -14.100 1.00 0.00 H new ATOM 234 N THR A 50 -32.723 -0.275 -17.230 1.00 0.00 N ATOM 235 CA THR A 50 -33.895 -1.182 -17.392 1.00 0.00 C ATOM 236 C THR A 50 -34.371 -1.648 -16.014 1.00 0.00 C ATOM 237 O THR A 50 -33.649 -1.573 -15.040 1.00 0.00 O ATOM 238 CB THR A 50 -33.486 -2.395 -18.231 1.00 0.00 C ATOM 239 OG1 THR A 50 -32.321 -2.984 -17.673 1.00 0.00 O ATOM 240 CG2 THR A 50 -33.196 -1.948 -19.665 1.00 0.00 C ATOM 0 H THR A 50 -31.883 -0.714 -16.854 1.00 0.00 H new ATOM 0 HA THR A 50 -34.703 -0.650 -17.894 1.00 0.00 H new ATOM 0 HB THR A 50 -34.296 -3.125 -18.235 1.00 0.00 H new ATOM 0 HG1 THR A 50 -32.390 -3.960 -17.727 1.00 0.00 H new ATOM 0 HG21 THR A 50 -32.905 -2.811 -20.263 1.00 0.00 H new ATOM 0 HG22 THR A 50 -34.090 -1.495 -20.093 1.00 0.00 H new ATOM 0 HG23 THR A 50 -32.386 -1.219 -19.662 1.00 0.00 H new ATOM 248 N PRO A 51 -35.619 -2.136 -15.935 1.00 0.00 N ATOM 249 CA PRO A 51 -36.205 -2.615 -14.677 1.00 0.00 C ATOM 250 C PRO A 51 -35.543 -3.909 -14.193 1.00 0.00 C ATOM 251 O PRO A 51 -35.076 -3.996 -13.075 1.00 0.00 O ATOM 252 CB PRO A 51 -37.666 -2.878 -15.040 1.00 0.00 C ATOM 253 CG PRO A 51 -37.649 -3.126 -16.511 1.00 0.00 C ATOM 254 CD PRO A 51 -36.554 -2.259 -17.067 1.00 0.00 C ATOM 0 HA PRO A 51 -36.075 -1.897 -13.867 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -38.061 -3.737 -14.498 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -38.297 -2.025 -14.789 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -37.461 -4.178 -16.727 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -38.610 -2.875 -16.960 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -36.079 -2.717 -17.935 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -36.931 -1.287 -17.386 1.00 0.00 H new ATOM 262 N THR A 52 -35.498 -4.914 -15.025 1.00 0.00 N ATOM 263 CA THR A 52 -34.865 -6.196 -14.606 1.00 0.00 C ATOM 264 C THR A 52 -33.433 -5.925 -14.140 1.00 0.00 C ATOM 265 O THR A 52 -32.941 -6.544 -13.218 1.00 0.00 O ATOM 266 CB THR A 52 -34.844 -7.167 -15.788 1.00 0.00 C ATOM 267 OG1 THR A 52 -35.683 -6.671 -16.821 1.00 0.00 O ATOM 268 CG2 THR A 52 -35.346 -8.539 -15.334 1.00 0.00 C ATOM 0 H THR A 52 -35.871 -4.903 -15.974 1.00 0.00 H new ATOM 0 HA THR A 52 -35.437 -6.635 -13.789 1.00 0.00 H new ATOM 0 HB THR A 52 -33.825 -7.262 -16.162 1.00 0.00 H new ATOM 0 HG1 THR A 52 -35.669 -7.291 -17.580 1.00 0.00 H new ATOM 0 HG21 THR A 52 -35.330 -9.229 -16.177 1.00 0.00 H new ATOM 0 HG22 THR A 52 -34.701 -8.919 -14.542 1.00 0.00 H new ATOM 0 HG23 THR A 52 -36.365 -8.448 -14.959 1.00 0.00 H new ATOM 276 N LEU A 53 -32.764 -5.000 -14.771 1.00 0.00 N ATOM 277 CA LEU A 53 -31.367 -4.683 -14.366 1.00 0.00 C ATOM 278 C LEU A 53 -31.378 -4.018 -12.989 1.00 0.00 C ATOM 279 O LEU A 53 -30.666 -4.418 -12.089 1.00 0.00 O ATOM 280 CB LEU A 53 -30.744 -3.732 -15.388 1.00 0.00 C ATOM 281 CG LEU A 53 -29.253 -3.565 -15.089 1.00 0.00 C ATOM 282 CD1 LEU A 53 -28.525 -4.879 -15.381 1.00 0.00 C ATOM 283 CD2 LEU A 53 -28.676 -2.456 -15.969 1.00 0.00 C ATOM 0 H LEU A 53 -33.125 -4.450 -15.550 1.00 0.00 H new ATOM 0 HA LEU A 53 -30.782 -5.601 -14.322 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -30.882 -4.124 -16.396 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -31.244 -2.764 -15.351 1.00 0.00 H new ATOM 0 HG LEU A 53 -29.121 -3.301 -14.040 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -27.462 -4.761 -15.168 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -28.935 -5.670 -14.753 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -28.658 -5.143 -16.430 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -27.614 -2.338 -15.755 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -28.808 -2.719 -17.019 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -29.194 -1.520 -15.761 1.00 0.00 H new ATOM 295 N LEU A 54 -32.183 -3.006 -12.816 1.00 0.00 N ATOM 296 CA LEU A 54 -32.241 -2.318 -11.496 1.00 0.00 C ATOM 297 C LEU A 54 -32.719 -3.306 -10.431 1.00 0.00 C ATOM 298 O LEU A 54 -32.168 -3.386 -9.351 1.00 0.00 O ATOM 299 CB LEU A 54 -33.214 -1.141 -11.574 1.00 0.00 C ATOM 300 CG LEU A 54 -32.578 -0.004 -12.376 1.00 0.00 C ATOM 301 CD1 LEU A 54 -33.589 0.533 -13.391 1.00 0.00 C ATOM 302 CD2 LEU A 54 -32.163 1.121 -11.426 1.00 0.00 C ATOM 0 H LEU A 54 -32.803 -2.626 -13.531 1.00 0.00 H new ATOM 0 HA LEU A 54 -31.249 -1.949 -11.234 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -34.145 -1.456 -12.045 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -33.465 -0.796 -10.571 1.00 0.00 H new ATOM 0 HG LEU A 54 -31.700 -0.378 -12.902 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -33.136 1.343 -13.962 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -33.885 -0.268 -14.069 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -34.468 0.907 -12.866 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -31.710 1.931 -11.997 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -33.041 1.495 -10.900 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -31.442 0.739 -10.703 1.00 0.00 H new ATOM 314 N ARG A 55 -33.743 -4.063 -10.726 1.00 0.00 N ATOM 315 CA ARG A 55 -34.252 -5.045 -9.730 1.00 0.00 C ATOM 316 C ARG A 55 -33.091 -5.901 -9.223 1.00 0.00 C ATOM 317 O ARG A 55 -32.983 -6.184 -8.047 1.00 0.00 O ATOM 318 CB ARG A 55 -35.300 -5.947 -10.386 1.00 0.00 C ATOM 319 CG ARG A 55 -35.825 -6.948 -9.355 1.00 0.00 C ATOM 320 CD ARG A 55 -36.732 -7.967 -10.046 1.00 0.00 C ATOM 321 NE ARG A 55 -37.404 -8.810 -9.018 1.00 0.00 N ATOM 322 CZ ARG A 55 -37.290 -10.109 -9.062 1.00 0.00 C ATOM 323 NH1 ARG A 55 -36.107 -10.659 -9.124 1.00 0.00 N ATOM 324 NH2 ARG A 55 -38.357 -10.859 -9.044 1.00 0.00 N ATOM 0 H ARG A 55 -34.247 -4.042 -11.613 1.00 0.00 H new ATOM 0 HA ARG A 55 -34.706 -4.512 -8.895 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -36.121 -5.345 -10.776 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -34.862 -6.476 -11.233 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -34.992 -7.457 -8.870 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -36.377 -6.425 -8.574 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -37.477 -7.454 -10.654 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -36.147 -8.593 -10.720 1.00 0.00 H new ATOM 0 HE ARG A 55 -37.954 -8.371 -8.279 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -35.272 -10.073 -9.138 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -36.018 -11.675 -9.158 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -39.281 -10.430 -8.996 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -38.267 -11.874 -9.078 1.00 0.00 H new ATOM 338 N GLY A 56 -32.220 -6.315 -10.102 1.00 0.00 N ATOM 339 CA GLY A 56 -31.066 -7.149 -9.668 1.00 0.00 C ATOM 340 C GLY A 56 -30.075 -6.279 -8.890 1.00 0.00 C ATOM 341 O GLY A 56 -29.346 -6.755 -8.044 1.00 0.00 O ATOM 0 H GLY A 56 -32.258 -6.112 -11.101 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -31.413 -7.972 -9.043 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -30.576 -7.591 -10.535 1.00 0.00 H new ATOM 345 N ALA A 57 -30.047 -5.003 -9.170 1.00 0.00 N ATOM 346 CA ALA A 57 -29.106 -4.102 -8.447 1.00 0.00 C ATOM 347 C ALA A 57 -29.691 -3.748 -7.078 1.00 0.00 C ATOM 348 O ALA A 57 -28.979 -3.380 -6.166 1.00 0.00 O ATOM 349 CB ALA A 57 -28.898 -2.822 -9.260 1.00 0.00 C ATOM 0 H ALA A 57 -30.635 -4.547 -9.868 1.00 0.00 H new ATOM 0 HA ALA A 57 -28.149 -4.607 -8.314 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -28.210 -2.163 -8.731 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -28.482 -3.074 -10.235 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -29.854 -2.316 -9.393 1.00 0.00 H new ATOM 355 N PHE A 58 -30.983 -3.855 -6.929 1.00 0.00 N ATOM 356 CA PHE A 58 -31.614 -3.527 -5.620 1.00 0.00 C ATOM 357 C PHE A 58 -32.294 -4.776 -5.051 1.00 0.00 C ATOM 358 O PHE A 58 -32.871 -4.749 -3.981 1.00 0.00 O ATOM 359 CB PHE A 58 -32.660 -2.428 -5.822 1.00 0.00 C ATOM 360 CG PHE A 58 -31.970 -1.135 -6.187 1.00 0.00 C ATOM 361 CD1 PHE A 58 -31.386 -0.986 -7.451 1.00 0.00 C ATOM 362 CD2 PHE A 58 -31.915 -0.085 -5.263 1.00 0.00 C ATOM 363 CE1 PHE A 58 -30.747 0.213 -7.790 1.00 0.00 C ATOM 364 CE2 PHE A 58 -31.276 1.114 -5.601 1.00 0.00 C ATOM 365 CZ PHE A 58 -30.692 1.263 -6.865 1.00 0.00 C ATOM 0 H PHE A 58 -31.629 -4.156 -7.658 1.00 0.00 H new ATOM 0 HA PHE A 58 -30.849 -3.182 -4.925 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -33.357 -2.715 -6.609 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -33.244 -2.296 -4.911 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -31.428 -1.796 -8.164 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -32.366 -0.200 -4.288 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -30.297 0.328 -8.765 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -31.234 1.923 -4.887 1.00 0.00 H new ATOM 0 HZ PHE A 58 -30.199 2.188 -7.127 1.00 0.00 H new ATOM 375 N SER A 59 -32.234 -5.869 -5.760 1.00 0.00 N ATOM 376 CA SER A 59 -32.878 -7.120 -5.269 1.00 0.00 C ATOM 377 C SER A 59 -32.134 -7.652 -4.040 1.00 0.00 C ATOM 378 O SER A 59 -32.725 -7.882 -3.003 1.00 0.00 O ATOM 379 CB SER A 59 -32.847 -8.176 -6.376 1.00 0.00 C ATOM 380 OG SER A 59 -32.824 -9.471 -5.793 1.00 0.00 O ATOM 0 H SER A 59 -31.765 -5.950 -6.662 1.00 0.00 H new ATOM 0 HA SER A 59 -33.910 -6.902 -4.993 1.00 0.00 H new ATOM 0 HB2 SER A 59 -33.721 -8.070 -7.019 1.00 0.00 H new ATOM 0 HB3 SER A 59 -31.969 -8.033 -7.006 1.00 0.00 H new ATOM 0 HG SER A 59 -32.806 -10.148 -6.501 1.00 0.00 H new ATOM 386 N PRO A 60 -30.812 -7.862 -4.159 1.00 0.00 N ATOM 387 CA PRO A 60 -29.992 -8.380 -3.054 1.00 0.00 C ATOM 388 C PRO A 60 -29.870 -7.375 -1.905 1.00 0.00 C ATOM 389 O PRO A 60 -29.609 -7.739 -0.776 1.00 0.00 O ATOM 390 CB PRO A 60 -28.625 -8.607 -3.700 1.00 0.00 C ATOM 391 CG PRO A 60 -28.599 -7.672 -4.859 1.00 0.00 C ATOM 392 CD PRO A 60 -30.010 -7.610 -5.371 1.00 0.00 C ATOM 0 HA PRO A 60 -30.426 -9.277 -2.612 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -27.816 -8.395 -3.001 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -28.505 -9.641 -4.022 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -28.250 -6.685 -4.556 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -27.918 -8.028 -5.632 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -30.238 -6.639 -5.811 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -30.194 -8.360 -6.140 1.00 0.00 H new ATOM 400 N PHE A 61 -30.056 -6.115 -2.182 1.00 0.00 N ATOM 401 CA PHE A 61 -29.948 -5.094 -1.102 1.00 0.00 C ATOM 402 C PHE A 61 -31.194 -5.153 -0.216 1.00 0.00 C ATOM 403 O PHE A 61 -31.236 -4.572 0.850 1.00 0.00 O ATOM 404 CB PHE A 61 -29.831 -3.703 -1.727 1.00 0.00 C ATOM 405 CG PHE A 61 -28.433 -3.512 -2.262 1.00 0.00 C ATOM 406 CD1 PHE A 61 -27.422 -3.026 -1.423 1.00 0.00 C ATOM 407 CD2 PHE A 61 -28.147 -3.821 -3.596 1.00 0.00 C ATOM 408 CE1 PHE A 61 -26.125 -2.849 -1.921 1.00 0.00 C ATOM 409 CE2 PHE A 61 -26.851 -3.644 -4.093 1.00 0.00 C ATOM 410 CZ PHE A 61 -25.840 -3.157 -3.256 1.00 0.00 C ATOM 0 H PHE A 61 -30.278 -5.748 -3.107 1.00 0.00 H new ATOM 0 HA PHE A 61 -29.064 -5.297 -0.497 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -30.559 -3.591 -2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -30.056 -2.938 -0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -27.643 -2.788 -0.393 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -28.927 -4.196 -4.242 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -25.345 -2.475 -1.275 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -26.631 -3.883 -5.123 1.00 0.00 H new ATOM 0 HZ PHE A 61 -24.840 -3.019 -3.641 1.00 0.00 H new ATOM 420 N GLY A 62 -32.209 -5.854 -0.645 1.00 0.00 N ATOM 421 CA GLY A 62 -33.447 -5.948 0.179 1.00 0.00 C ATOM 422 C GLY A 62 -34.657 -6.161 -0.735 1.00 0.00 C ATOM 423 O GLY A 62 -34.545 -6.141 -1.945 1.00 0.00 O ATOM 0 H GLY A 62 -32.234 -6.364 -1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -33.363 -6.773 0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -33.576 -5.038 0.764 1.00 0.00 H new ATOM 427 N ASN A 63 -35.813 -6.365 -0.164 1.00 0.00 N ATOM 428 CA ASN A 63 -37.030 -6.579 -0.998 1.00 0.00 C ATOM 429 C ASN A 63 -37.710 -5.235 -1.263 1.00 0.00 C ATOM 430 O ASN A 63 -37.954 -4.463 -0.358 1.00 0.00 O ATOM 431 CB ASN A 63 -38.000 -7.503 -0.256 1.00 0.00 C ATOM 432 CG ASN A 63 -37.316 -8.843 0.024 1.00 0.00 C ATOM 433 OD1 ASN A 63 -37.409 -9.367 1.117 1.00 0.00 O ATOM 434 ND2 ASN A 63 -36.630 -9.422 -0.921 1.00 0.00 N ATOM 0 H ASN A 63 -35.967 -6.393 0.844 1.00 0.00 H new ATOM 0 HA ASN A 63 -36.745 -7.035 -1.946 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -38.315 -7.041 0.680 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -38.899 -7.659 -0.853 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -36.171 -10.315 -0.744 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -36.552 -8.982 -1.838 1.00 0.00 H new ATOM 441 N ILE A 64 -38.021 -4.951 -2.497 1.00 0.00 N ATOM 442 CA ILE A 64 -38.687 -3.658 -2.817 1.00 0.00 C ATOM 443 C ILE A 64 -40.203 -3.861 -2.854 1.00 0.00 C ATOM 444 O ILE A 64 -40.707 -4.710 -3.563 1.00 0.00 O ATOM 445 CB ILE A 64 -38.208 -3.158 -4.181 1.00 0.00 C ATOM 446 CG1 ILE A 64 -36.692 -2.951 -4.146 1.00 0.00 C ATOM 447 CG2 ILE A 64 -38.896 -1.831 -4.507 1.00 0.00 C ATOM 448 CD1 ILE A 64 -36.138 -2.992 -5.573 1.00 0.00 C ATOM 0 H ILE A 64 -37.843 -5.558 -3.297 1.00 0.00 H new ATOM 0 HA ILE A 64 -38.436 -2.923 -2.052 1.00 0.00 H new ATOM 0 HB ILE A 64 -38.456 -3.894 -4.945 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -36.456 -1.994 -3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -36.222 -3.726 -3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -38.555 -1.474 -5.479 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -39.976 -1.978 -4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -38.648 -1.095 -3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -35.058 -2.845 -5.549 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -36.362 -3.959 -6.023 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -36.599 -2.201 -6.165 1.00 0.00 H new ATOM 460 N ILE A 65 -40.934 -3.091 -2.096 1.00 0.00 N ATOM 461 CA ILE A 65 -42.416 -3.243 -2.089 1.00 0.00 C ATOM 462 C ILE A 65 -43.017 -2.443 -3.247 1.00 0.00 C ATOM 463 O ILE A 65 -44.074 -2.764 -3.751 1.00 0.00 O ATOM 464 CB ILE A 65 -42.976 -2.723 -0.764 1.00 0.00 C ATOM 465 CG1 ILE A 65 -42.838 -1.200 -0.713 1.00 0.00 C ATOM 466 CG2 ILE A 65 -42.197 -3.343 0.397 1.00 0.00 C ATOM 467 CD1 ILE A 65 -43.606 -0.659 0.494 1.00 0.00 C ATOM 0 H ILE A 65 -40.569 -2.363 -1.481 1.00 0.00 H new ATOM 0 HA ILE A 65 -42.674 -4.296 -2.203 1.00 0.00 H new ATOM 0 HB ILE A 65 -44.028 -2.995 -0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -41.786 -0.922 -0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -43.224 -0.758 -1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -42.596 -2.973 1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -42.295 -4.428 0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -41.145 -3.071 0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -43.508 0.426 0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -44.659 -0.926 0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -43.199 -1.091 1.408 1.00 0.00 H new ATOM 479 N ASP A 66 -42.353 -1.404 -3.672 1.00 0.00 N ATOM 480 CA ASP A 66 -42.889 -0.586 -4.796 1.00 0.00 C ATOM 481 C ASP A 66 -41.729 0.015 -5.592 1.00 0.00 C ATOM 482 O ASP A 66 -40.996 0.853 -5.104 1.00 0.00 O ATOM 483 CB ASP A 66 -43.761 0.540 -4.236 1.00 0.00 C ATOM 484 CG ASP A 66 -44.395 1.317 -5.391 1.00 0.00 C ATOM 485 OD1 ASP A 66 -44.237 0.889 -6.523 1.00 0.00 O ATOM 486 OD2 ASP A 66 -45.028 2.325 -5.125 1.00 0.00 O ATOM 0 H ASP A 66 -41.462 -1.086 -3.290 1.00 0.00 H new ATOM 0 HA ASP A 66 -43.488 -1.219 -5.451 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -44.537 0.127 -3.592 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -43.159 1.209 -3.621 1.00 0.00 H new ATOM 491 N LEU A 67 -41.558 -0.405 -6.816 1.00 0.00 N ATOM 492 CA LEU A 67 -40.447 0.143 -7.644 1.00 0.00 C ATOM 493 C LEU A 67 -41.024 1.067 -8.719 1.00 0.00 C ATOM 494 O LEU A 67 -41.956 0.719 -9.416 1.00 0.00 O ATOM 495 CB LEU A 67 -39.693 -1.009 -8.313 1.00 0.00 C ATOM 496 CG LEU A 67 -38.469 -0.459 -9.048 1.00 0.00 C ATOM 497 CD1 LEU A 67 -37.228 -1.255 -8.639 1.00 0.00 C ATOM 498 CD2 LEU A 67 -38.683 -0.587 -10.558 1.00 0.00 C ATOM 0 H LEU A 67 -42.140 -1.104 -7.278 1.00 0.00 H new ATOM 0 HA LEU A 67 -39.762 0.705 -7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -39.384 -1.738 -7.565 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -40.348 -1.528 -9.013 1.00 0.00 H new ATOM 0 HG LEU A 67 -38.329 0.590 -8.788 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -36.356 -0.863 -9.162 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -37.076 -1.165 -7.563 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -37.367 -2.304 -8.899 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -37.812 -0.196 -11.083 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -38.822 -1.636 -10.818 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -39.567 -0.020 -10.849 1.00 0.00 H new ATOM 510 N SER A 68 -40.480 2.246 -8.857 1.00 0.00 N ATOM 511 CA SER A 68 -41.003 3.190 -9.886 1.00 0.00 C ATOM 512 C SER A 68 -39.870 3.597 -10.832 1.00 0.00 C ATOM 513 O SER A 68 -38.711 3.591 -10.469 1.00 0.00 O ATOM 514 CB SER A 68 -41.562 4.436 -9.195 1.00 0.00 C ATOM 515 OG SER A 68 -42.330 5.188 -10.122 1.00 0.00 O ATOM 0 H SER A 68 -39.698 2.596 -8.303 1.00 0.00 H new ATOM 0 HA SER A 68 -41.794 2.703 -10.457 1.00 0.00 H new ATOM 0 HB2 SER A 68 -42.180 4.147 -8.345 1.00 0.00 H new ATOM 0 HB3 SER A 68 -40.747 5.045 -8.804 1.00 0.00 H new ATOM 0 HG SER A 68 -42.689 5.985 -9.679 1.00 0.00 H new ATOM 521 N MET A 69 -40.200 3.952 -12.045 1.00 0.00 N ATOM 522 CA MET A 69 -39.144 4.361 -13.016 1.00 0.00 C ATOM 523 C MET A 69 -39.544 5.682 -13.674 1.00 0.00 C ATOM 524 O MET A 69 -40.678 5.872 -14.068 1.00 0.00 O ATOM 525 CB MET A 69 -38.993 3.281 -14.089 1.00 0.00 C ATOM 526 CG MET A 69 -38.492 1.988 -13.446 1.00 0.00 C ATOM 527 SD MET A 69 -38.078 0.792 -14.739 1.00 0.00 S ATOM 528 CE MET A 69 -36.641 1.668 -15.405 1.00 0.00 C ATOM 0 H MET A 69 -41.154 3.976 -12.405 1.00 0.00 H new ATOM 0 HA MET A 69 -38.196 4.487 -12.493 1.00 0.00 H new ATOM 0 HB2 MET A 69 -39.949 3.107 -14.582 1.00 0.00 H new ATOM 0 HB3 MET A 69 -38.294 3.612 -14.857 1.00 0.00 H new ATOM 0 HG2 MET A 69 -37.616 2.191 -12.830 1.00 0.00 H new ATOM 0 HG3 MET A 69 -39.257 1.577 -12.787 1.00 0.00 H new ATOM 0 HE1 MET A 69 -35.907 0.945 -15.761 1.00 0.00 H new ATOM 0 HE2 MET A 69 -36.954 2.305 -16.232 1.00 0.00 H new ATOM 0 HE3 MET A 69 -36.195 2.283 -14.623 1.00 0.00 H new ATOM 538 N ASP A 70 -38.623 6.599 -13.795 1.00 0.00 N ATOM 539 CA ASP A 70 -38.952 7.908 -14.428 1.00 0.00 C ATOM 540 C ASP A 70 -38.159 8.064 -15.726 1.00 0.00 C ATOM 541 O ASP A 70 -37.024 8.497 -15.722 1.00 0.00 O ATOM 542 CB ASP A 70 -38.586 9.043 -13.469 1.00 0.00 C ATOM 543 CG ASP A 70 -39.858 9.770 -13.029 1.00 0.00 C ATOM 544 OD1 ASP A 70 -40.847 9.098 -12.785 1.00 0.00 O ATOM 545 OD2 ASP A 70 -39.822 10.987 -12.946 1.00 0.00 O ATOM 0 H ASP A 70 -37.657 6.498 -13.483 1.00 0.00 H new ATOM 0 HA ASP A 70 -40.019 7.945 -14.649 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -38.063 8.644 -12.600 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -37.906 9.741 -13.957 1.00 0.00 H new ATOM 550 N PRO A 71 -38.774 7.701 -16.862 1.00 0.00 N ATOM 551 CA PRO A 71 -38.130 7.799 -18.173 1.00 0.00 C ATOM 552 C PRO A 71 -38.033 9.243 -18.708 1.00 0.00 C ATOM 553 O PRO A 71 -37.136 9.549 -19.468 1.00 0.00 O ATOM 554 CB PRO A 71 -39.022 6.953 -19.079 1.00 0.00 C ATOM 555 CG PRO A 71 -40.365 6.950 -18.427 1.00 0.00 C ATOM 556 CD PRO A 71 -40.145 7.162 -16.949 1.00 0.00 C ATOM 0 HA PRO A 71 -37.095 7.460 -18.125 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -39.074 7.375 -20.083 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -38.632 5.940 -19.179 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -40.994 7.739 -18.839 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -40.878 6.006 -18.608 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -40.874 7.858 -16.533 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -40.242 6.229 -16.394 1.00 0.00 H new ATOM 564 N PRO A 72 -38.956 10.155 -18.324 1.00 0.00 N ATOM 565 CA PRO A 72 -38.911 11.540 -18.807 1.00 0.00 C ATOM 566 C PRO A 72 -37.812 12.350 -18.110 1.00 0.00 C ATOM 567 O PRO A 72 -37.325 13.332 -18.634 1.00 0.00 O ATOM 568 CB PRO A 72 -40.280 12.101 -18.435 1.00 0.00 C ATOM 569 CG PRO A 72 -40.731 11.280 -17.274 1.00 0.00 C ATOM 570 CD PRO A 72 -40.095 9.924 -17.413 1.00 0.00 C ATOM 0 HA PRO A 72 -38.692 11.589 -19.874 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -40.215 13.156 -18.171 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -40.978 12.023 -19.268 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -40.437 11.748 -16.335 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -41.818 11.196 -17.262 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -39.763 9.538 -16.449 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -40.794 9.196 -17.824 1.00 0.00 H new ATOM 578 N ARG A 73 -37.422 11.946 -16.933 1.00 0.00 N ATOM 579 CA ARG A 73 -36.359 12.695 -16.203 1.00 0.00 C ATOM 580 C ARG A 73 -35.087 11.845 -16.136 1.00 0.00 C ATOM 581 O ARG A 73 -34.086 12.255 -15.581 1.00 0.00 O ATOM 582 CB ARG A 73 -36.839 13.006 -14.785 1.00 0.00 C ATOM 583 CG ARG A 73 -38.093 13.881 -14.849 1.00 0.00 C ATOM 584 CD ARG A 73 -38.519 14.269 -13.431 1.00 0.00 C ATOM 585 NE ARG A 73 -39.836 14.962 -13.481 1.00 0.00 N ATOM 586 CZ ARG A 73 -39.888 16.255 -13.653 1.00 0.00 C ATOM 587 NH1 ARG A 73 -40.485 16.749 -14.703 1.00 0.00 N ATOM 588 NH2 ARG A 73 -39.344 17.054 -12.777 1.00 0.00 N ATOM 0 H ARG A 73 -37.792 11.131 -16.445 1.00 0.00 H new ATOM 0 HA ARG A 73 -36.145 13.626 -16.728 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -37.056 12.080 -14.252 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -36.054 13.518 -14.228 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -37.895 14.776 -15.438 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -38.899 13.343 -15.348 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -38.587 13.380 -12.804 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -37.770 14.920 -12.980 1.00 0.00 H new ATOM 0 HE ARG A 73 -40.698 14.426 -13.381 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -40.911 16.125 -15.388 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -40.526 17.759 -14.838 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -38.877 16.669 -11.956 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -39.386 18.064 -12.913 1.00 0.00 H new ATOM 602 N ASN A 74 -35.115 10.666 -16.694 1.00 0.00 N ATOM 603 CA ASN A 74 -33.905 9.796 -16.660 1.00 0.00 C ATOM 604 C ASN A 74 -33.566 9.449 -15.208 1.00 0.00 C ATOM 605 O ASN A 74 -32.417 9.443 -14.814 1.00 0.00 O ATOM 606 CB ASN A 74 -32.726 10.535 -17.297 1.00 0.00 C ATOM 607 CG ASN A 74 -33.052 10.856 -18.756 1.00 0.00 C ATOM 608 OD1 ASN A 74 -33.957 10.281 -19.330 1.00 0.00 O ATOM 609 ND2 ASN A 74 -32.350 11.757 -19.387 1.00 0.00 N ATOM 0 H ASN A 74 -35.923 10.267 -17.172 1.00 0.00 H new ATOM 0 HA ASN A 74 -34.102 8.879 -17.216 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -32.521 11.454 -16.749 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -31.826 9.922 -17.241 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -32.561 11.978 -20.360 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -31.591 12.240 -18.907 1.00 0.00 H new ATOM 616 N CYS A 75 -34.558 9.161 -14.410 1.00 0.00 N ATOM 617 CA CYS A 75 -34.292 8.815 -12.986 1.00 0.00 C ATOM 618 C CYS A 75 -35.271 7.731 -12.532 1.00 0.00 C ATOM 619 O CYS A 75 -36.305 7.523 -13.135 1.00 0.00 O ATOM 620 CB CYS A 75 -34.469 10.060 -12.116 1.00 0.00 C ATOM 621 SG CYS A 75 -36.202 10.584 -12.160 1.00 0.00 S ATOM 0 H CYS A 75 -35.541 9.151 -14.683 1.00 0.00 H new ATOM 0 HA CYS A 75 -33.271 8.446 -12.887 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -34.168 9.846 -11.090 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -33.826 10.863 -12.476 1.00 0.00 H new ATOM 0 HG CYS A 75 -36.899 9.846 -11.348 1.00 0.00 H new ATOM 627 N ALA A 76 -34.954 7.037 -11.472 1.00 0.00 N ATOM 628 CA ALA A 76 -35.869 5.967 -10.982 1.00 0.00 C ATOM 629 C ALA A 76 -35.935 6.012 -9.455 1.00 0.00 C ATOM 630 O ALA A 76 -35.030 6.487 -8.798 1.00 0.00 O ATOM 631 CB ALA A 76 -35.342 4.603 -11.430 1.00 0.00 C ATOM 0 H ALA A 76 -34.102 7.165 -10.925 1.00 0.00 H new ATOM 0 HA ALA A 76 -36.866 6.125 -11.393 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -36.010 3.819 -11.072 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -35.295 4.571 -12.519 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -34.345 4.445 -11.019 1.00 0.00 H new ATOM 637 N PHE A 77 -37.000 5.518 -8.884 1.00 0.00 N ATOM 638 CA PHE A 77 -37.123 5.532 -7.399 1.00 0.00 C ATOM 639 C PHE A 77 -37.150 4.094 -6.878 1.00 0.00 C ATOM 640 O PHE A 77 -37.707 3.210 -7.499 1.00 0.00 O ATOM 641 CB PHE A 77 -38.417 6.243 -7.002 1.00 0.00 C ATOM 642 CG PHE A 77 -38.404 7.651 -7.549 1.00 0.00 C ATOM 643 CD1 PHE A 77 -38.851 7.900 -8.851 1.00 0.00 C ATOM 644 CD2 PHE A 77 -37.941 8.705 -6.754 1.00 0.00 C ATOM 645 CE1 PHE A 77 -38.837 9.205 -9.359 1.00 0.00 C ATOM 646 CE2 PHE A 77 -37.926 10.010 -7.261 1.00 0.00 C ATOM 647 CZ PHE A 77 -38.374 10.260 -8.563 1.00 0.00 C ATOM 0 H PHE A 77 -37.789 5.106 -9.381 1.00 0.00 H new ATOM 0 HA PHE A 77 -36.272 6.059 -6.968 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -39.278 5.698 -7.390 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -38.515 6.264 -5.917 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -39.207 7.086 -9.465 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -37.595 8.512 -5.749 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -39.183 9.398 -10.364 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -37.569 10.824 -6.647 1.00 0.00 H new ATOM 0 HZ PHE A 77 -38.363 11.267 -8.954 1.00 0.00 H new ATOM 657 N VAL A 78 -36.553 3.850 -5.743 1.00 0.00 N ATOM 658 CA VAL A 78 -36.549 2.467 -5.190 1.00 0.00 C ATOM 659 C VAL A 78 -37.178 2.472 -3.796 1.00 0.00 C ATOM 660 O VAL A 78 -36.843 3.283 -2.955 1.00 0.00 O ATOM 661 CB VAL A 78 -35.108 1.960 -5.099 1.00 0.00 C ATOM 662 CG1 VAL A 78 -35.108 0.503 -4.635 1.00 0.00 C ATOM 663 CG2 VAL A 78 -34.447 2.057 -6.475 1.00 0.00 C ATOM 0 H VAL A 78 -36.069 4.547 -5.177 1.00 0.00 H new ATOM 0 HA VAL A 78 -37.125 1.812 -5.844 1.00 0.00 H new ATOM 0 HB VAL A 78 -34.553 2.568 -4.385 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -34.082 0.142 -4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -35.580 0.433 -3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -35.663 -0.106 -5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -33.420 1.696 -6.412 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -35.002 1.449 -7.189 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -34.447 3.095 -6.806 1.00 0.00 H new ATOM 673 N THR A 79 -38.088 1.572 -3.542 1.00 0.00 N ATOM 674 CA THR A 79 -38.737 1.523 -2.202 1.00 0.00 C ATOM 675 C THR A 79 -38.271 0.270 -1.459 1.00 0.00 C ATOM 676 O THR A 79 -38.320 -0.827 -1.979 1.00 0.00 O ATOM 677 CB THR A 79 -40.258 1.481 -2.371 1.00 0.00 C ATOM 678 OG1 THR A 79 -40.671 2.551 -3.209 1.00 0.00 O ATOM 679 CG2 THR A 79 -40.928 1.614 -1.003 1.00 0.00 C ATOM 0 H THR A 79 -38.410 0.868 -4.206 1.00 0.00 H new ATOM 0 HA THR A 79 -38.461 2.410 -1.631 1.00 0.00 H new ATOM 0 HB THR A 79 -40.547 0.533 -2.825 1.00 0.00 H new ATOM 0 HG1 THR A 79 -40.658 2.258 -4.144 1.00 0.00 H new ATOM 0 HG21 THR A 79 -42.011 1.584 -1.124 1.00 0.00 H new ATOM 0 HG22 THR A 79 -40.612 0.792 -0.361 1.00 0.00 H new ATOM 0 HG23 THR A 79 -40.640 2.561 -0.547 1.00 0.00 H new ATOM 687 N TYR A 80 -37.817 0.423 -0.245 1.00 0.00 N ATOM 688 CA TYR A 80 -37.348 -0.761 0.529 1.00 0.00 C ATOM 689 C TYR A 80 -38.225 -0.943 1.769 1.00 0.00 C ATOM 690 O TYR A 80 -38.515 -0.001 2.480 1.00 0.00 O ATOM 691 CB TYR A 80 -35.897 -0.541 0.964 1.00 0.00 C ATOM 692 CG TYR A 80 -34.963 -1.087 -0.091 1.00 0.00 C ATOM 693 CD1 TYR A 80 -35.141 -2.386 -0.581 1.00 0.00 C ATOM 694 CD2 TYR A 80 -33.920 -0.291 -0.578 1.00 0.00 C ATOM 695 CE1 TYR A 80 -34.274 -2.891 -1.558 1.00 0.00 C ATOM 696 CE2 TYR A 80 -33.052 -0.796 -1.555 1.00 0.00 C ATOM 697 CZ TYR A 80 -33.230 -2.095 -2.044 1.00 0.00 C ATOM 698 OH TYR A 80 -32.374 -2.592 -3.007 1.00 0.00 O ATOM 0 H TYR A 80 -37.751 1.316 0.244 1.00 0.00 H new ATOM 0 HA TYR A 80 -37.413 -1.651 -0.096 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -35.709 0.522 1.115 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -35.714 -1.036 1.918 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -35.947 -2.999 -0.206 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -33.784 0.712 -0.201 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -34.411 -3.893 -1.936 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -32.246 -0.183 -1.931 1.00 0.00 H new ATOM 0 HH TYR A 80 -32.441 -3.569 -3.031 1.00 0.00 H new ATOM 708 N GLU A 81 -38.647 -2.148 2.037 1.00 0.00 N ATOM 709 CA GLU A 81 -39.501 -2.387 3.235 1.00 0.00 C ATOM 710 C GLU A 81 -38.704 -2.057 4.497 1.00 0.00 C ATOM 711 O GLU A 81 -39.258 -1.712 5.522 1.00 0.00 O ATOM 712 CB GLU A 81 -39.930 -3.856 3.272 1.00 0.00 C ATOM 713 CG GLU A 81 -40.961 -4.058 4.383 1.00 0.00 C ATOM 714 CD GLU A 81 -41.320 -5.542 4.483 1.00 0.00 C ATOM 715 OE1 GLU A 81 -40.782 -6.315 3.708 1.00 0.00 O ATOM 716 OE2 GLU A 81 -42.128 -5.880 5.332 1.00 0.00 O ATOM 0 H GLU A 81 -38.438 -2.976 1.480 1.00 0.00 H new ATOM 0 HA GLU A 81 -40.386 -1.753 3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -40.354 -4.146 2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -39.064 -4.495 3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -40.561 -3.705 5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -41.855 -3.470 4.175 1.00 0.00 H new ATOM 723 N LYS A 82 -37.405 -2.161 4.431 1.00 0.00 N ATOM 724 CA LYS A 82 -36.569 -1.853 5.623 1.00 0.00 C ATOM 725 C LYS A 82 -35.642 -0.679 5.301 1.00 0.00 C ATOM 726 O LYS A 82 -35.101 -0.583 4.218 1.00 0.00 O ATOM 727 CB LYS A 82 -35.730 -3.079 5.989 1.00 0.00 C ATOM 728 CG LYS A 82 -36.655 -4.226 6.398 1.00 0.00 C ATOM 729 CD LYS A 82 -35.814 -5.408 6.885 1.00 0.00 C ATOM 730 CE LYS A 82 -36.726 -6.606 7.154 1.00 0.00 C ATOM 731 NZ LYS A 82 -36.260 -7.321 8.375 1.00 0.00 N ATOM 0 H LYS A 82 -36.886 -2.447 3.600 1.00 0.00 H new ATOM 0 HA LYS A 82 -37.213 -1.591 6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -35.115 -3.379 5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -35.050 -2.837 6.806 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -37.332 -3.898 7.186 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -37.273 -4.529 5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -35.065 -5.668 6.137 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -35.276 -5.136 7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -37.755 -6.271 7.286 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -36.718 -7.282 6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -36.880 -8.136 8.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -35.285 -7.653 8.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -36.289 -6.674 9.189 1.00 0.00 H new ATOM 745 N MET A 83 -35.456 0.217 6.232 1.00 0.00 N ATOM 746 CA MET A 83 -34.564 1.383 5.974 1.00 0.00 C ATOM 747 C MET A 83 -33.118 0.902 5.849 1.00 0.00 C ATOM 748 O MET A 83 -32.280 1.567 5.272 1.00 0.00 O ATOM 749 CB MET A 83 -34.676 2.374 7.133 1.00 0.00 C ATOM 750 CG MET A 83 -36.105 2.916 7.203 1.00 0.00 C ATOM 751 SD MET A 83 -36.215 4.163 8.509 1.00 0.00 S ATOM 752 CE MET A 83 -37.991 4.481 8.368 1.00 0.00 C ATOM 0 H MET A 83 -35.882 0.192 7.158 1.00 0.00 H new ATOM 0 HA MET A 83 -34.863 1.873 5.047 1.00 0.00 H new ATOM 0 HB2 MET A 83 -34.415 1.884 8.071 1.00 0.00 H new ATOM 0 HB3 MET A 83 -33.971 3.194 6.994 1.00 0.00 H new ATOM 0 HG2 MET A 83 -36.387 3.352 6.245 1.00 0.00 H new ATOM 0 HG3 MET A 83 -36.804 2.104 7.402 1.00 0.00 H new ATOM 0 HE1 MET A 83 -38.284 5.236 9.097 1.00 0.00 H new ATOM 0 HE2 MET A 83 -38.218 4.839 7.364 1.00 0.00 H new ATOM 0 HE3 MET A 83 -38.542 3.560 8.558 1.00 0.00 H new ATOM 762 N GLU A 84 -32.816 -0.250 6.383 1.00 0.00 N ATOM 763 CA GLU A 84 -31.423 -0.770 6.294 1.00 0.00 C ATOM 764 C GLU A 84 -31.138 -1.217 4.858 1.00 0.00 C ATOM 765 O GLU A 84 -30.009 -1.208 4.408 1.00 0.00 O ATOM 766 CB GLU A 84 -31.264 -1.963 7.240 1.00 0.00 C ATOM 767 CG GLU A 84 -29.798 -2.402 7.264 1.00 0.00 C ATOM 768 CD GLU A 84 -29.651 -3.636 8.157 1.00 0.00 C ATOM 769 OE1 GLU A 84 -30.654 -4.080 8.691 1.00 0.00 O ATOM 770 OE2 GLU A 84 -28.538 -4.117 8.290 1.00 0.00 O ATOM 0 H GLU A 84 -33.474 -0.853 6.877 1.00 0.00 H new ATOM 0 HA GLU A 84 -30.722 0.015 6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -31.590 -1.691 8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -31.897 -2.788 6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -29.458 -2.628 6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -29.171 -1.593 7.637 1.00 0.00 H new ATOM 777 N SER A 85 -32.151 -1.608 4.136 1.00 0.00 N ATOM 778 CA SER A 85 -31.938 -2.055 2.731 1.00 0.00 C ATOM 779 C SER A 85 -31.630 -0.842 1.850 1.00 0.00 C ATOM 780 O SER A 85 -30.912 -0.936 0.875 1.00 0.00 O ATOM 781 CB SER A 85 -33.201 -2.750 2.219 1.00 0.00 C ATOM 782 OG SER A 85 -33.596 -3.752 3.142 1.00 0.00 O ATOM 0 H SER A 85 -33.118 -1.637 4.459 1.00 0.00 H new ATOM 0 HA SER A 85 -31.100 -2.752 2.695 1.00 0.00 H new ATOM 0 HB2 SER A 85 -34.003 -2.023 2.090 1.00 0.00 H new ATOM 0 HB3 SER A 85 -33.014 -3.194 1.241 1.00 0.00 H new ATOM 0 HG SER A 85 -34.406 -4.197 2.815 1.00 0.00 H new ATOM 788 N ALA A 86 -32.168 0.298 2.187 1.00 0.00 N ATOM 789 CA ALA A 86 -31.907 1.516 1.370 1.00 0.00 C ATOM 790 C ALA A 86 -30.505 2.046 1.676 1.00 0.00 C ATOM 791 O ALA A 86 -29.792 2.488 0.797 1.00 0.00 O ATOM 792 CB ALA A 86 -32.944 2.589 1.710 1.00 0.00 C ATOM 0 H ALA A 86 -32.777 0.438 2.993 1.00 0.00 H new ATOM 0 HA ALA A 86 -31.976 1.265 0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -32.754 3.481 1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -33.943 2.212 1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -32.875 2.840 2.769 1.00 0.00 H new ATOM 798 N ASP A 87 -30.104 2.004 2.918 1.00 0.00 N ATOM 799 CA ASP A 87 -28.749 2.505 3.281 1.00 0.00 C ATOM 800 C ASP A 87 -27.685 1.598 2.661 1.00 0.00 C ATOM 801 O ASP A 87 -26.630 2.047 2.257 1.00 0.00 O ATOM 802 CB ASP A 87 -28.596 2.500 4.804 1.00 0.00 C ATOM 803 CG ASP A 87 -27.294 3.204 5.190 1.00 0.00 C ATOM 804 OD1 ASP A 87 -27.302 4.422 5.269 1.00 0.00 O ATOM 805 OD2 ASP A 87 -26.310 2.514 5.400 1.00 0.00 O ATOM 0 H ASP A 87 -30.657 1.644 3.696 1.00 0.00 H new ATOM 0 HA ASP A 87 -28.625 3.520 2.904 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -29.445 3.004 5.267 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -28.592 1.475 5.176 1.00 0.00 H new ATOM 810 N GLN A 88 -27.953 0.325 2.585 1.00 0.00 N ATOM 811 CA GLN A 88 -26.958 -0.612 1.994 1.00 0.00 C ATOM 812 C GLN A 88 -26.860 -0.373 0.487 1.00 0.00 C ATOM 813 O GLN A 88 -25.784 -0.325 -0.077 1.00 0.00 O ATOM 814 CB GLN A 88 -27.399 -2.055 2.254 1.00 0.00 C ATOM 815 CG GLN A 88 -26.232 -3.003 1.974 1.00 0.00 C ATOM 816 CD GLN A 88 -26.686 -4.448 2.190 1.00 0.00 C ATOM 817 OE1 GLN A 88 -27.725 -4.691 2.770 1.00 0.00 O ATOM 818 NE2 GLN A 88 -25.944 -5.425 1.745 1.00 0.00 N ATOM 0 H GLN A 88 -28.819 -0.108 2.907 1.00 0.00 H new ATOM 0 HA GLN A 88 -25.984 -0.441 2.452 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -27.731 -2.165 3.286 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -28.247 -2.308 1.618 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -25.879 -2.870 0.951 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -25.395 -2.771 2.633 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -25.071 -5.222 1.258 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -26.237 -6.392 1.884 1.00 0.00 H new ATOM 827 N ALA A 89 -27.975 -0.223 -0.168 1.00 0.00 N ATOM 828 CA ALA A 89 -27.951 0.014 -1.639 1.00 0.00 C ATOM 829 C ALA A 89 -27.234 1.333 -1.931 1.00 0.00 C ATOM 830 O ALA A 89 -26.441 1.431 -2.847 1.00 0.00 O ATOM 831 CB ALA A 89 -29.386 0.088 -2.167 1.00 0.00 C ATOM 0 H ALA A 89 -28.904 -0.254 0.251 1.00 0.00 H new ATOM 0 HA ALA A 89 -27.424 -0.804 -2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -29.369 0.261 -3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -29.899 -0.851 -1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -29.913 0.906 -1.676 1.00 0.00 H new ATOM 837 N VAL A 90 -27.503 2.348 -1.157 1.00 0.00 N ATOM 838 CA VAL A 90 -26.836 3.660 -1.388 1.00 0.00 C ATOM 839 C VAL A 90 -25.352 3.547 -1.032 1.00 0.00 C ATOM 840 O VAL A 90 -24.526 4.282 -1.533 1.00 0.00 O ATOM 841 CB VAL A 90 -27.494 4.726 -0.509 1.00 0.00 C ATOM 842 CG1 VAL A 90 -26.714 6.036 -0.625 1.00 0.00 C ATOM 843 CG2 VAL A 90 -28.936 4.946 -0.972 1.00 0.00 C ATOM 0 H VAL A 90 -28.156 2.325 -0.374 1.00 0.00 H new ATOM 0 HA VAL A 90 -26.936 3.941 -2.436 1.00 0.00 H new ATOM 0 HB VAL A 90 -27.492 4.395 0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -27.183 6.795 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -25.687 5.878 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -26.716 6.370 -1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -29.407 5.705 -0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -28.938 5.278 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -29.491 4.012 -0.889 1.00 0.00 H new ATOM 853 N ALA A 91 -25.009 2.631 -0.168 1.00 0.00 N ATOM 854 CA ALA A 91 -23.580 2.472 0.222 1.00 0.00 C ATOM 855 C ALA A 91 -22.840 1.669 -0.850 1.00 0.00 C ATOM 856 O ALA A 91 -21.631 1.717 -0.950 1.00 0.00 O ATOM 857 CB ALA A 91 -23.497 1.734 1.560 1.00 0.00 C ATOM 0 H ALA A 91 -25.657 1.986 0.284 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.120 3.455 0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.452 1.617 1.847 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -24.021 2.307 2.325 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.959 0.751 1.463 1.00 0.00 H new ATOM 863 N GLU A 92 -23.557 0.929 -1.654 1.00 0.00 N ATOM 864 CA GLU A 92 -22.888 0.124 -2.716 1.00 0.00 C ATOM 865 C GLU A 92 -23.401 0.558 -4.090 1.00 0.00 C ATOM 866 O GLU A 92 -22.637 0.929 -4.959 1.00 0.00 O ATOM 867 CB GLU A 92 -23.198 -1.360 -2.503 1.00 0.00 C ATOM 868 CG GLU A 92 -22.647 -1.807 -1.148 1.00 0.00 C ATOM 869 CD GLU A 92 -22.891 -3.307 -0.969 1.00 0.00 C ATOM 870 OE1 GLU A 92 -23.597 -3.873 -1.787 1.00 0.00 O ATOM 871 OE2 GLU A 92 -22.369 -3.864 -0.018 1.00 0.00 O ATOM 0 H GLU A 92 -24.573 0.848 -1.621 1.00 0.00 H new ATOM 0 HA GLU A 92 -21.811 0.283 -2.665 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -24.274 -1.527 -2.543 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -22.754 -1.954 -3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -21.580 -1.591 -1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -23.130 -1.250 -0.345 1.00 0.00 H new ATOM 878 N LEU A 93 -24.689 0.516 -4.296 1.00 0.00 N ATOM 879 CA LEU A 93 -25.246 0.925 -5.616 1.00 0.00 C ATOM 880 C LEU A 93 -24.800 2.353 -5.933 1.00 0.00 C ATOM 881 O LEU A 93 -24.697 2.741 -7.081 1.00 0.00 O ATOM 882 CB LEU A 93 -26.774 0.866 -5.567 1.00 0.00 C ATOM 883 CG LEU A 93 -27.217 -0.550 -5.195 1.00 0.00 C ATOM 884 CD1 LEU A 93 -28.726 -0.686 -5.408 1.00 0.00 C ATOM 885 CD2 LEU A 93 -26.485 -1.561 -6.080 1.00 0.00 C ATOM 0 H LEU A 93 -25.379 0.216 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 93 -24.883 0.249 -6.390 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -27.153 1.581 -4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -27.191 1.147 -6.534 1.00 0.00 H new ATOM 0 HG LEU A 93 -26.979 -0.742 -4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -29.041 -1.695 -5.143 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -29.249 0.035 -4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -28.964 -0.494 -6.454 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -26.800 -2.571 -5.816 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -26.723 -1.368 -7.126 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -25.410 -1.465 -5.929 1.00 0.00 H new ATOM 897 N ASN A 94 -24.533 3.138 -4.927 1.00 0.00 N ATOM 898 CA ASN A 94 -24.093 4.540 -5.173 1.00 0.00 C ATOM 899 C ASN A 94 -22.622 4.544 -5.593 1.00 0.00 C ATOM 900 O ASN A 94 -21.760 4.068 -4.881 1.00 0.00 O ATOM 901 CB ASN A 94 -24.260 5.360 -3.892 1.00 0.00 C ATOM 902 CG ASN A 94 -24.173 6.851 -4.227 1.00 0.00 C ATOM 903 OD1 ASN A 94 -23.915 7.218 -5.356 1.00 0.00 O ATOM 904 ND2 ASN A 94 -24.382 7.731 -3.287 1.00 0.00 N ATOM 0 H ASN A 94 -24.600 2.870 -3.945 1.00 0.00 H new ATOM 0 HA ASN A 94 -24.700 4.978 -5.965 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -25.220 5.136 -3.426 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -23.486 5.092 -3.172 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -24.329 8.727 -3.500 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -24.599 7.423 -2.339 1.00 0.00 H new ATOM 911 N GLY A 95 -22.326 5.078 -6.747 1.00 0.00 N ATOM 912 CA GLY A 95 -20.911 5.111 -7.212 1.00 0.00 C ATOM 913 C GLY A 95 -20.569 3.789 -7.901 1.00 0.00 C ATOM 914 O GLY A 95 -19.560 3.173 -7.619 1.00 0.00 O ATOM 0 H GLY A 95 -23.003 5.493 -7.387 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -20.763 5.942 -7.902 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -20.243 5.276 -6.367 1.00 0.00 H new ATOM 918 N THR A 96 -21.402 3.347 -8.803 1.00 0.00 N ATOM 919 CA THR A 96 -21.125 2.066 -9.510 1.00 0.00 C ATOM 920 C THR A 96 -21.183 2.297 -11.022 1.00 0.00 C ATOM 921 O THR A 96 -21.748 3.266 -11.490 1.00 0.00 O ATOM 922 CB THR A 96 -22.173 1.024 -9.111 1.00 0.00 C ATOM 923 OG1 THR A 96 -23.442 1.414 -9.617 1.00 0.00 O ATOM 924 CG2 THR A 96 -22.239 0.922 -7.586 1.00 0.00 C ATOM 0 H THR A 96 -22.263 3.818 -9.081 1.00 0.00 H new ATOM 0 HA THR A 96 -20.134 1.706 -9.235 1.00 0.00 H new ATOM 0 HB THR A 96 -21.898 0.054 -9.526 1.00 0.00 H new ATOM 0 HG1 THR A 96 -23.956 1.854 -8.908 1.00 0.00 H new ATOM 0 HG21 THR A 96 -22.985 0.180 -7.303 1.00 0.00 H new ATOM 0 HG22 THR A 96 -21.265 0.623 -7.199 1.00 0.00 H new ATOM 0 HG23 THR A 96 -22.514 1.891 -7.168 1.00 0.00 H new ATOM 932 N GLN A 97 -20.604 1.414 -11.789 1.00 0.00 N ATOM 933 CA GLN A 97 -20.626 1.586 -13.269 1.00 0.00 C ATOM 934 C GLN A 97 -21.128 0.297 -13.924 1.00 0.00 C ATOM 935 O GLN A 97 -21.155 -0.752 -13.314 1.00 0.00 O ATOM 936 CB GLN A 97 -19.213 1.894 -13.768 1.00 0.00 C ATOM 937 CG GLN A 97 -19.255 2.195 -15.267 1.00 0.00 C ATOM 938 CD GLN A 97 -17.861 2.607 -15.744 1.00 0.00 C ATOM 939 OE1 GLN A 97 -16.969 2.813 -14.945 1.00 0.00 O ATOM 940 NE2 GLN A 97 -17.633 2.736 -17.023 1.00 0.00 N ATOM 0 H GLN A 97 -20.117 0.582 -11.455 1.00 0.00 H new ATOM 0 HA GLN A 97 -21.291 2.410 -13.529 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -18.803 2.746 -13.227 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -18.555 1.047 -13.575 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -19.594 1.316 -15.816 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -19.970 2.992 -15.469 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -18.381 2.563 -17.694 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.707 3.009 -17.351 1.00 0.00 H new ATOM 949 N VAL A 98 -21.530 0.371 -15.163 1.00 0.00 N ATOM 950 CA VAL A 98 -22.032 -0.848 -15.860 1.00 0.00 C ATOM 951 C VAL A 98 -21.290 -1.010 -17.187 1.00 0.00 C ATOM 952 O VAL A 98 -20.264 -0.399 -17.411 1.00 0.00 O ATOM 953 CB VAL A 98 -23.538 -0.719 -16.139 1.00 0.00 C ATOM 954 CG1 VAL A 98 -24.246 -2.002 -15.703 1.00 0.00 C ATOM 955 CG2 VAL A 98 -24.123 0.468 -15.367 1.00 0.00 C ATOM 0 H VAL A 98 -21.533 1.223 -15.724 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.860 -1.717 -15.224 1.00 0.00 H new ATOM 0 HB VAL A 98 -23.686 -0.556 -17.206 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -25.314 -1.913 -15.900 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.843 -2.847 -16.261 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -24.086 -2.162 -14.637 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -25.190 0.547 -15.575 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -23.971 0.317 -14.298 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -23.624 1.386 -15.678 1.00 0.00 H new ATOM 965 N GLU A 99 -21.801 -1.819 -18.073 1.00 0.00 N ATOM 966 CA GLU A 99 -21.122 -2.006 -19.385 1.00 0.00 C ATOM 967 C GLU A 99 -20.863 -0.635 -20.011 1.00 0.00 C ATOM 968 O GLU A 99 -20.001 -0.477 -20.852 1.00 0.00 O ATOM 969 CB GLU A 99 -22.013 -2.832 -20.313 1.00 0.00 C ATOM 970 CG GLU A 99 -22.219 -4.226 -19.719 1.00 0.00 C ATOM 971 CD GLU A 99 -23.037 -5.079 -20.690 1.00 0.00 C ATOM 972 OE1 GLU A 99 -23.528 -4.529 -21.662 1.00 0.00 O ATOM 973 OE2 GLU A 99 -23.160 -6.268 -20.445 1.00 0.00 O ATOM 0 H GLU A 99 -22.658 -2.358 -17.945 1.00 0.00 H new ATOM 0 HA GLU A 99 -20.177 -2.530 -19.238 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -22.975 -2.337 -20.446 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -21.555 -2.910 -21.299 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -21.255 -4.697 -19.528 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -22.734 -4.152 -18.761 1.00 0.00 H new ATOM 980 N SER A 100 -21.604 0.358 -19.601 1.00 0.00 N ATOM 981 CA SER A 100 -21.403 1.721 -20.165 1.00 0.00 C ATOM 982 C SER A 100 -22.423 2.682 -19.551 1.00 0.00 C ATOM 983 O SER A 100 -22.929 3.570 -20.208 1.00 0.00 O ATOM 984 CB SER A 100 -21.590 1.679 -21.682 1.00 0.00 C ATOM 985 OG SER A 100 -22.040 0.388 -22.068 1.00 0.00 O ATOM 0 H SER A 100 -22.340 0.283 -18.899 1.00 0.00 H new ATOM 0 HA SER A 100 -20.395 2.065 -19.934 1.00 0.00 H new ATOM 0 HB2 SER A 100 -22.312 2.435 -21.991 1.00 0.00 H new ATOM 0 HB3 SER A 100 -20.650 1.913 -22.182 1.00 0.00 H new ATOM 0 HG SER A 100 -22.161 0.361 -23.040 1.00 0.00 H new ATOM 991 N VAL A 101 -22.728 2.513 -18.293 1.00 0.00 N ATOM 992 CA VAL A 101 -23.714 3.416 -17.638 1.00 0.00 C ATOM 993 C VAL A 101 -23.246 3.741 -16.218 1.00 0.00 C ATOM 994 O VAL A 101 -22.408 3.060 -15.660 1.00 0.00 O ATOM 995 CB VAL A 101 -25.076 2.723 -17.580 1.00 0.00 C ATOM 996 CG1 VAL A 101 -26.029 3.542 -16.710 1.00 0.00 C ATOM 997 CG2 VAL A 101 -25.648 2.604 -18.995 1.00 0.00 C ATOM 0 H VAL A 101 -22.336 1.788 -17.691 1.00 0.00 H new ATOM 0 HA VAL A 101 -23.798 4.339 -18.211 1.00 0.00 H new ATOM 0 HB VAL A 101 -24.960 1.728 -17.151 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -27.000 3.048 -16.669 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -25.621 3.625 -15.703 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -26.147 4.538 -17.137 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -26.619 2.110 -18.955 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -25.764 3.599 -19.425 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -24.968 2.018 -19.614 1.00 0.00 H new ATOM 1007 N GLN A 102 -23.781 4.774 -15.628 1.00 0.00 N ATOM 1008 CA GLN A 102 -23.369 5.141 -14.245 1.00 0.00 C ATOM 1009 C GLN A 102 -24.606 5.202 -13.347 1.00 0.00 C ATOM 1010 O GLN A 102 -25.529 5.952 -13.597 1.00 0.00 O ATOM 1011 CB GLN A 102 -22.680 6.507 -14.261 1.00 0.00 C ATOM 1012 CG GLN A 102 -21.412 6.430 -15.112 1.00 0.00 C ATOM 1013 CD GLN A 102 -20.725 7.796 -15.129 1.00 0.00 C ATOM 1014 OE1 GLN A 102 -21.326 8.795 -14.788 1.00 0.00 O ATOM 1015 NE2 GLN A 102 -19.481 7.883 -15.515 1.00 0.00 N ATOM 0 H GLN A 102 -24.487 5.381 -16.045 1.00 0.00 H new ATOM 0 HA GLN A 102 -22.676 4.392 -13.861 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -23.355 7.262 -14.664 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -22.430 6.812 -13.245 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -20.736 5.676 -14.709 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -21.661 6.124 -16.128 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -18.976 7.044 -15.801 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -19.014 8.790 -15.530 1.00 0.00 H new ATOM 1024 N LEU A 103 -24.634 4.417 -12.306 1.00 0.00 N ATOM 1025 CA LEU A 103 -25.812 4.425 -11.398 1.00 0.00 C ATOM 1026 C LEU A 103 -25.593 5.447 -10.280 1.00 0.00 C ATOM 1027 O LEU A 103 -24.636 5.373 -9.535 1.00 0.00 O ATOM 1028 CB LEU A 103 -25.979 3.033 -10.791 1.00 0.00 C ATOM 1029 CG LEU A 103 -26.638 2.106 -11.815 1.00 0.00 C ATOM 1030 CD1 LEU A 103 -26.480 0.653 -11.363 1.00 0.00 C ATOM 1031 CD2 LEU A 103 -28.125 2.447 -11.931 1.00 0.00 C ATOM 0 H LEU A 103 -23.890 3.770 -12.046 1.00 0.00 H new ATOM 0 HA LEU A 103 -26.707 4.695 -11.959 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -25.008 2.635 -10.495 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -26.589 3.088 -9.889 1.00 0.00 H new ATOM 0 HG LEU A 103 -26.160 2.238 -12.785 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -26.949 -0.008 -12.092 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -25.420 0.410 -11.282 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -26.958 0.520 -10.392 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -28.594 1.787 -12.660 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -28.605 2.316 -10.961 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -28.237 3.482 -12.254 1.00 0.00 H new ATOM 1043 N LYS A 104 -26.479 6.399 -10.153 1.00 0.00 N ATOM 1044 CA LYS A 104 -26.326 7.421 -9.080 1.00 0.00 C ATOM 1045 C LYS A 104 -27.553 7.380 -8.166 1.00 0.00 C ATOM 1046 O LYS A 104 -28.673 7.536 -8.609 1.00 0.00 O ATOM 1047 CB LYS A 104 -26.204 8.811 -9.709 1.00 0.00 C ATOM 1048 CG LYS A 104 -25.796 9.824 -8.636 1.00 0.00 C ATOM 1049 CD LYS A 104 -25.755 11.226 -9.247 1.00 0.00 C ATOM 1050 CE LYS A 104 -25.181 12.210 -8.225 1.00 0.00 C ATOM 1051 NZ LYS A 104 -23.779 11.822 -7.896 1.00 0.00 N ATOM 0 H LYS A 104 -27.301 6.512 -10.746 1.00 0.00 H new ATOM 0 HA LYS A 104 -25.429 7.208 -8.499 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -25.464 8.796 -10.510 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -27.153 9.103 -10.158 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -26.504 9.797 -7.808 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -24.819 9.565 -8.229 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -25.143 11.224 -10.149 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -26.758 11.535 -9.543 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -25.205 13.223 -8.626 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -25.791 12.210 -7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -23.169 12.663 -7.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -23.747 11.412 -6.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -23.442 11.120 -8.586 1.00 0.00 H new ATOM 1065 N VAL A 105 -27.351 7.165 -6.895 1.00 0.00 N ATOM 1066 CA VAL A 105 -28.509 7.108 -5.959 1.00 0.00 C ATOM 1067 C VAL A 105 -28.510 8.347 -5.061 1.00 0.00 C ATOM 1068 O VAL A 105 -27.474 8.885 -4.724 1.00 0.00 O ATOM 1069 CB VAL A 105 -28.401 5.853 -5.092 1.00 0.00 C ATOM 1070 CG1 VAL A 105 -29.655 5.723 -4.224 1.00 0.00 C ATOM 1071 CG2 VAL A 105 -28.271 4.622 -5.989 1.00 0.00 C ATOM 0 H VAL A 105 -26.436 7.027 -6.465 1.00 0.00 H new ATOM 0 HA VAL A 105 -29.435 7.078 -6.534 1.00 0.00 H new ATOM 0 HB VAL A 105 -27.522 5.929 -4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -29.578 4.829 -3.606 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -29.747 6.600 -3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -30.534 5.648 -4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -28.194 3.728 -5.371 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -29.149 4.545 -6.631 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -27.377 4.714 -6.606 1.00 0.00 H new ATOM 1081 N ASN A 106 -29.668 8.801 -4.670 1.00 0.00 N ATOM 1082 CA ASN A 106 -29.744 10.001 -3.790 1.00 0.00 C ATOM 1083 C ASN A 106 -30.864 9.803 -2.766 1.00 0.00 C ATOM 1084 O ASN A 106 -31.487 8.761 -2.711 1.00 0.00 O ATOM 1085 CB ASN A 106 -30.038 11.241 -4.637 1.00 0.00 C ATOM 1086 CG ASN A 106 -28.919 11.435 -5.663 1.00 0.00 C ATOM 1087 OD1 ASN A 106 -29.177 11.742 -6.810 1.00 0.00 O ATOM 1088 ND2 ASN A 106 -27.678 11.266 -5.296 1.00 0.00 N ATOM 0 H ASN A 106 -30.568 8.392 -4.923 1.00 0.00 H new ATOM 0 HA ASN A 106 -28.794 10.136 -3.273 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -30.996 11.129 -5.145 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -30.117 12.121 -3.998 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -26.925 11.392 -5.972 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -27.462 11.008 -4.333 1.00 0.00 H new ATOM 1095 N ILE A 107 -31.127 10.790 -1.956 1.00 0.00 N ATOM 1096 CA ILE A 107 -32.206 10.648 -0.940 1.00 0.00 C ATOM 1097 C ILE A 107 -33.366 11.582 -1.290 1.00 0.00 C ATOM 1098 O ILE A 107 -33.181 12.765 -1.499 1.00 0.00 O ATOM 1099 CB ILE A 107 -31.659 11.011 0.442 1.00 0.00 C ATOM 1100 CG1 ILE A 107 -30.378 10.218 0.710 1.00 0.00 C ATOM 1101 CG2 ILE A 107 -32.702 10.672 1.509 1.00 0.00 C ATOM 1102 CD1 ILE A 107 -30.627 8.736 0.427 1.00 0.00 C ATOM 0 H ILE A 107 -30.642 11.687 -1.954 1.00 0.00 H new ATOM 0 HA ILE A 107 -32.560 9.617 -0.931 1.00 0.00 H new ATOM 0 HB ILE A 107 -31.438 12.078 0.476 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -29.570 10.589 0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -30.063 10.354 1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -32.312 10.931 2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -33.614 11.238 1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -32.924 9.605 1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -29.715 8.171 0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -31.423 8.370 1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -30.921 8.609 -0.615 1.00 0.00 H new ATOM 1114 N ALA A 108 -34.560 11.061 -1.353 1.00 0.00 N ATOM 1115 CA ALA A 108 -35.732 11.920 -1.688 1.00 0.00 C ATOM 1116 C ALA A 108 -36.746 11.862 -0.544 1.00 0.00 C ATOM 1117 O ALA A 108 -36.806 10.899 0.196 1.00 0.00 O ATOM 1118 CB ALA A 108 -36.385 11.413 -2.976 1.00 0.00 C ATOM 0 H ALA A 108 -34.776 10.078 -1.187 1.00 0.00 H new ATOM 0 HA ALA A 108 -35.402 12.949 -1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -37.242 12.041 -3.221 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -35.662 11.452 -3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -36.717 10.385 -2.835 1.00 0.00 H new ATOM 1124 N ARG A 109 -37.543 12.884 -0.392 1.00 0.00 N ATOM 1125 CA ARG A 109 -38.550 12.884 0.706 1.00 0.00 C ATOM 1126 C ARG A 109 -39.954 13.012 0.112 1.00 0.00 C ATOM 1127 O ARG A 109 -40.158 13.677 -0.884 1.00 0.00 O ATOM 1128 CB ARG A 109 -38.281 14.063 1.643 1.00 0.00 C ATOM 1129 CG ARG A 109 -36.938 13.857 2.348 1.00 0.00 C ATOM 1130 CD ARG A 109 -36.733 14.963 3.385 1.00 0.00 C ATOM 1131 NE ARG A 109 -36.809 16.292 2.716 1.00 0.00 N ATOM 1132 CZ ARG A 109 -35.723 16.990 2.526 1.00 0.00 C ATOM 1133 NH1 ARG A 109 -34.702 16.455 1.916 1.00 0.00 N ATOM 1134 NH2 ARG A 109 -35.659 18.224 2.946 1.00 0.00 N ATOM 0 H ARG A 109 -37.540 13.718 -0.980 1.00 0.00 H new ATOM 0 HA ARG A 109 -38.478 11.951 1.266 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -38.268 14.995 1.078 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -39.081 14.147 2.378 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -36.915 12.881 2.832 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -36.127 13.871 1.620 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -37.493 14.892 4.163 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -35.765 14.844 3.873 1.00 0.00 H new ATOM 0 HE ARG A 109 -37.710 16.656 2.406 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -34.752 15.491 1.587 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -33.853 17.001 1.768 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -36.458 18.643 3.423 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -34.810 18.770 2.798 1.00 0.00 H new ATOM 1148 N LYS A 110 -40.923 12.380 0.715 1.00 0.00 N ATOM 1149 CA LYS A 110 -42.312 12.465 0.184 1.00 0.00 C ATOM 1150 C LYS A 110 -42.762 13.926 0.163 1.00 0.00 C ATOM 1151 O LYS A 110 -43.401 14.376 -0.769 1.00 0.00 O ATOM 1152 CB LYS A 110 -43.251 11.656 1.081 1.00 0.00 C ATOM 1153 CG LYS A 110 -44.653 11.640 0.469 1.00 0.00 C ATOM 1154 CD LYS A 110 -45.607 10.889 1.401 1.00 0.00 C ATOM 1155 CE LYS A 110 -46.971 10.743 0.722 1.00 0.00 C ATOM 1156 NZ LYS A 110 -48.012 11.410 1.553 1.00 0.00 N ATOM 0 H LYS A 110 -40.813 11.808 1.553 1.00 0.00 H new ATOM 0 HA LYS A 110 -42.339 12.062 -0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -42.879 10.637 1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -43.283 12.093 2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -45.006 12.660 0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -44.629 11.159 -0.509 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -45.201 9.906 1.640 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -45.713 11.428 2.342 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -46.944 11.188 -0.273 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -47.214 9.688 0.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -48.939 11.311 1.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -48.043 10.966 2.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -47.781 12.419 1.654 1.00 0.00 H new ATOM 1170 N GLN A 111 -42.435 14.674 1.181 1.00 0.00 N ATOM 1171 CA GLN A 111 -42.845 16.105 1.217 1.00 0.00 C ATOM 1172 C GLN A 111 -41.614 16.983 1.450 1.00 0.00 C ATOM 1173 O GLN A 111 -41.333 17.392 2.559 1.00 0.00 O ATOM 1174 CB GLN A 111 -43.847 16.321 2.352 1.00 0.00 C ATOM 1175 CG GLN A 111 -45.255 16.457 1.769 1.00 0.00 C ATOM 1176 CD GLN A 111 -45.642 17.937 1.711 1.00 0.00 C ATOM 1177 OE1 GLN A 111 -45.075 18.752 2.411 1.00 0.00 O ATOM 1178 NE2 GLN A 111 -46.590 18.320 0.900 1.00 0.00 N ATOM 0 H GLN A 111 -41.901 14.355 1.990 1.00 0.00 H new ATOM 0 HA GLN A 111 -43.308 16.373 0.268 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -43.810 15.484 3.049 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -43.587 17.217 2.916 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -45.290 16.021 0.770 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -45.969 15.907 2.382 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -47.066 17.635 0.312 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -46.855 19.304 0.854 1.00 0.00 H new ATOM 1187 N PRO A 112 -40.866 17.275 0.375 1.00 0.00 N ATOM 1188 CA PRO A 112 -39.658 18.107 0.451 1.00 0.00 C ATOM 1189 C PRO A 112 -39.994 19.570 0.754 1.00 0.00 C ATOM 1190 O PRO A 112 -41.004 20.089 0.319 1.00 0.00 O ATOM 1191 CB PRO A 112 -39.054 17.988 -0.949 1.00 0.00 C ATOM 1192 CG PRO A 112 -40.210 17.655 -1.829 1.00 0.00 C ATOM 1193 CD PRO A 112 -41.140 16.818 -0.998 1.00 0.00 C ATOM 0 HA PRO A 112 -38.988 17.785 1.248 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -38.577 18.919 -1.256 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -38.290 17.211 -0.987 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -40.707 18.560 -2.178 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -39.882 17.110 -2.714 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -42.182 16.978 -1.275 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -40.938 15.753 -1.116 1.00 0.00 H new ATOM 1201 N MET A 113 -39.157 20.240 1.499 1.00 0.00 N ATOM 1202 CA MET A 113 -39.430 21.666 1.829 1.00 0.00 C ATOM 1203 C MET A 113 -38.107 22.400 2.057 1.00 0.00 C ATOM 1204 O MET A 113 -37.366 22.094 2.971 1.00 0.00 O ATOM 1205 CB MET A 113 -40.280 21.741 3.099 1.00 0.00 C ATOM 1206 CG MET A 113 -41.631 21.068 2.849 1.00 0.00 C ATOM 1207 SD MET A 113 -42.703 21.312 4.286 1.00 0.00 S ATOM 1208 CE MET A 113 -43.035 23.072 4.025 1.00 0.00 C ATOM 0 H MET A 113 -38.296 19.860 1.893 1.00 0.00 H new ATOM 0 HA MET A 113 -39.967 22.134 1.004 1.00 0.00 H new ATOM 0 HB2 MET A 113 -39.764 21.250 3.924 1.00 0.00 H new ATOM 0 HB3 MET A 113 -40.428 22.781 3.389 1.00 0.00 H new ATOM 0 HG2 MET A 113 -42.099 21.487 1.958 1.00 0.00 H new ATOM 0 HG3 MET A 113 -41.490 20.003 2.664 1.00 0.00 H new ATOM 0 HE1 MET A 113 -44.015 23.322 4.431 1.00 0.00 H new ATOM 0 HE2 MET A 113 -42.272 23.665 4.529 1.00 0.00 H new ATOM 0 HE3 MET A 113 -43.019 23.291 2.957 1.00 0.00 H new TER 1218 MET A 113