USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=18 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 41 THR OG1 : rot -71:sc= 0.00037 USER MOD Set 1.2: A 79 THR OG1 : rot 95:sc= 0.0931 USER MOD Set 2.1: A 43 TYR OH : rot -125:sc= 0.484 USER MOD Set 2.2: A 75 CYS SG : rot -52:sc= -1.17 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -2 K(o=-2,f=-3.1!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -162:sc= -1.41 (180deg=-3.18!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.171 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.227 X(o=-0.23,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 152:sc= -3.14 (180deg=-6.53!) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 80 TYR OH : rot -20:sc= -4.92! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -115:sc= -0.135 (180deg=-0.816) USER MOD Single : A 85 SER OG : rot 180:sc= -0.723 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot -76:sc= 1.26 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -1.71 K(o=-1.7,f=-2.7!) USER MOD Single : A 110 LYS NZ :NH3+ -165:sc= -0.0207 (180deg=-0.308) USER MOD Single : A 111 GLN : amide:sc= -0.581 K(o=-0.58,f=-0.0096) USER MOD Single : A 113 MET CE :methyl -151:sc= -0.288 (180deg=-1.63!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 35 -50.492 -0.406 10.938 1.00 0.00 N ATOM 2 CA ALA A 35 -50.414 1.067 10.734 1.00 0.00 C ATOM 3 C ALA A 35 -49.445 1.373 9.591 1.00 0.00 C ATOM 4 O ALA A 35 -48.510 0.638 9.344 1.00 0.00 O ATOM 5 CB ALA A 35 -49.917 1.735 12.018 1.00 0.00 C ATOM 0 HA ALA A 35 -51.403 1.452 10.484 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -49.860 2.813 11.869 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -50.608 1.518 12.832 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -48.928 1.351 12.269 1.00 0.00 H new ATOM 11 N PRO A 36 -49.679 2.486 8.880 1.00 0.00 N ATOM 12 CA PRO A 36 -48.832 2.902 7.756 1.00 0.00 C ATOM 13 C PRO A 36 -47.453 3.374 8.228 1.00 0.00 C ATOM 14 O PRO A 36 -47.310 3.933 9.297 1.00 0.00 O ATOM 15 CB PRO A 36 -49.602 4.070 7.141 1.00 0.00 C ATOM 16 CG PRO A 36 -50.431 4.605 8.260 1.00 0.00 C ATOM 17 CD PRO A 36 -50.789 3.425 9.118 1.00 0.00 C ATOM 0 HA PRO A 36 -48.645 2.084 7.060 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -48.925 4.830 6.751 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -50.224 3.740 6.309 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -49.878 5.349 8.833 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -51.327 5.096 7.880 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -50.865 3.700 10.170 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -51.749 2.995 8.831 1.00 0.00 H new ATOM 25 N ARG A 37 -46.439 3.154 7.437 1.00 0.00 N ATOM 26 CA ARG A 37 -45.072 3.590 7.840 1.00 0.00 C ATOM 27 C ARG A 37 -44.490 4.506 6.762 1.00 0.00 C ATOM 28 O ARG A 37 -44.799 4.378 5.593 1.00 0.00 O ATOM 29 CB ARG A 37 -44.174 2.362 8.007 1.00 0.00 C ATOM 30 CG ARG A 37 -44.734 1.467 9.114 1.00 0.00 C ATOM 31 CD ARG A 37 -43.821 0.253 9.299 1.00 0.00 C ATOM 32 NE ARG A 37 -42.481 0.707 9.767 1.00 0.00 N ATOM 33 CZ ARG A 37 -41.670 -0.139 10.344 1.00 0.00 C ATOM 34 NH1 ARG A 37 -41.877 -1.422 10.230 1.00 0.00 N ATOM 35 NH2 ARG A 37 -40.653 0.299 11.033 1.00 0.00 N ATOM 0 H ARG A 37 -46.498 2.692 6.530 1.00 0.00 H new ATOM 0 HA ARG A 37 -45.127 4.131 8.785 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -44.119 1.808 7.070 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -43.159 2.672 8.254 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -44.807 2.026 10.047 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -45.742 1.142 8.858 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -44.257 -0.436 10.022 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -43.725 -0.290 8.359 1.00 0.00 H new ATOM 0 HE ARG A 37 -42.197 1.678 9.637 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -42.672 -1.764 9.690 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -41.244 -2.083 10.680 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -40.491 1.302 11.121 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -40.020 -0.362 11.484 1.00 0.00 H new ATOM 49 N LYS A 38 -43.651 5.429 7.144 1.00 0.00 N ATOM 50 CA LYS A 38 -43.051 6.353 6.140 1.00 0.00 C ATOM 51 C LYS A 38 -42.308 5.540 5.077 1.00 0.00 C ATOM 52 O LYS A 38 -42.289 5.892 3.915 1.00 0.00 O ATOM 53 CB LYS A 38 -42.071 7.297 6.839 1.00 0.00 C ATOM 54 CG LYS A 38 -42.828 8.153 7.857 1.00 0.00 C ATOM 55 CD LYS A 38 -41.872 9.178 8.471 1.00 0.00 C ATOM 56 CE LYS A 38 -42.588 9.935 9.592 1.00 0.00 C ATOM 57 NZ LYS A 38 -43.335 11.088 9.015 1.00 0.00 N ATOM 0 H LYS A 38 -43.355 5.584 8.108 1.00 0.00 H new ATOM 0 HA LYS A 38 -43.840 6.935 5.664 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -41.290 6.724 7.339 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -41.578 7.935 6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -43.662 8.662 7.373 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -43.251 7.520 8.638 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -40.987 8.677 8.863 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -41.530 9.876 7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -43.274 9.269 10.115 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -41.864 10.288 10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -43.822 11.603 9.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -42.670 11.727 8.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -44.036 10.740 8.330 1.00 0.00 H new ATOM 71 N GLY A 39 -41.694 4.456 5.466 1.00 0.00 N ATOM 72 CA GLY A 39 -40.952 3.625 4.477 1.00 0.00 C ATOM 73 C GLY A 39 -39.609 4.287 4.160 1.00 0.00 C ATOM 74 O GLY A 39 -39.064 5.020 4.961 1.00 0.00 O ATOM 0 H GLY A 39 -41.674 4.110 6.425 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -40.791 2.623 4.876 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -41.539 3.514 3.565 1.00 0.00 H new ATOM 78 N ASN A 40 -39.071 4.034 2.999 1.00 0.00 N ATOM 79 CA ASN A 40 -37.764 4.651 2.635 1.00 0.00 C ATOM 80 C ASN A 40 -37.523 4.493 1.132 1.00 0.00 C ATOM 81 O ASN A 40 -36.981 3.503 0.681 1.00 0.00 O ATOM 82 CB ASN A 40 -36.640 3.956 3.406 1.00 0.00 C ATOM 83 CG ASN A 40 -35.341 4.747 3.236 1.00 0.00 C ATOM 84 OD1 ASN A 40 -35.307 5.738 2.534 1.00 0.00 O ATOM 85 ND2 ASN A 40 -34.263 4.349 3.854 1.00 0.00 N ATOM 0 H ASN A 40 -39.479 3.428 2.287 1.00 0.00 H new ATOM 0 HA ASN A 40 -37.781 5.711 2.890 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -36.899 3.884 4.462 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -36.509 2.938 3.040 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -33.392 4.870 3.748 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -34.291 3.517 4.444 1.00 0.00 H new ATOM 92 N THR A 41 -37.921 5.462 0.353 1.00 0.00 N ATOM 93 CA THR A 41 -37.713 5.368 -1.119 1.00 0.00 C ATOM 94 C THR A 41 -36.356 5.978 -1.480 1.00 0.00 C ATOM 95 O THR A 41 -35.968 7.004 -0.958 1.00 0.00 O ATOM 96 CB THR A 41 -38.825 6.131 -1.842 1.00 0.00 C ATOM 97 OG1 THR A 41 -40.088 5.617 -1.441 1.00 0.00 O ATOM 98 CG2 THR A 41 -38.662 5.967 -3.353 1.00 0.00 C ATOM 0 H THR A 41 -38.381 6.314 0.673 1.00 0.00 H new ATOM 0 HA THR A 41 -37.735 4.322 -1.424 1.00 0.00 H new ATOM 0 HB THR A 41 -38.765 7.189 -1.586 1.00 0.00 H new ATOM 0 HG1 THR A 41 -40.216 4.726 -1.828 1.00 0.00 H new ATOM 0 HG21 THR A 41 -39.455 6.511 -3.866 1.00 0.00 H new ATOM 0 HG22 THR A 41 -37.694 6.363 -3.660 1.00 0.00 H new ATOM 0 HG23 THR A 41 -38.721 4.910 -3.613 1.00 0.00 H new ATOM 106 N LEU A 42 -35.632 5.355 -2.369 1.00 0.00 N ATOM 107 CA LEU A 42 -34.301 5.901 -2.760 1.00 0.00 C ATOM 108 C LEU A 42 -34.390 6.508 -4.162 1.00 0.00 C ATOM 109 O LEU A 42 -35.104 6.022 -5.015 1.00 0.00 O ATOM 110 CB LEU A 42 -33.266 4.775 -2.757 1.00 0.00 C ATOM 111 CG LEU A 42 -33.248 4.100 -1.383 1.00 0.00 C ATOM 112 CD1 LEU A 42 -32.224 2.964 -1.387 1.00 0.00 C ATOM 113 CD2 LEU A 42 -32.867 5.127 -0.315 1.00 0.00 C ATOM 0 H LEU A 42 -35.904 4.493 -2.841 1.00 0.00 H new ATOM 0 HA LEU A 42 -34.002 6.671 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -33.506 4.044 -3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -32.279 5.174 -2.991 1.00 0.00 H new ATOM 0 HG LEU A 42 -34.237 3.697 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -32.211 2.483 -0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -32.495 2.232 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -31.235 3.366 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -32.854 4.647 0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -31.878 5.530 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -33.597 5.937 -0.312 1.00 0.00 H new ATOM 125 N TYR A 43 -33.667 7.567 -4.405 1.00 0.00 N ATOM 126 CA TYR A 43 -33.708 8.204 -5.751 1.00 0.00 C ATOM 127 C TYR A 43 -32.586 7.631 -6.620 1.00 0.00 C ATOM 128 O TYR A 43 -31.422 7.719 -6.285 1.00 0.00 O ATOM 129 CB TYR A 43 -33.519 9.716 -5.605 1.00 0.00 C ATOM 130 CG TYR A 43 -33.667 10.376 -6.955 1.00 0.00 C ATOM 131 CD1 TYR A 43 -34.941 10.671 -7.453 1.00 0.00 C ATOM 132 CD2 TYR A 43 -32.530 10.693 -7.707 1.00 0.00 C ATOM 133 CE1 TYR A 43 -35.079 11.284 -8.705 1.00 0.00 C ATOM 134 CE2 TYR A 43 -32.667 11.306 -8.958 1.00 0.00 C ATOM 135 CZ TYR A 43 -33.942 11.601 -9.457 1.00 0.00 C ATOM 136 OH TYR A 43 -34.077 12.205 -10.690 1.00 0.00 O ATOM 0 H TYR A 43 -33.050 8.018 -3.730 1.00 0.00 H new ATOM 0 HA TYR A 43 -34.671 8.002 -6.220 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -34.254 10.119 -4.909 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -32.535 9.931 -5.189 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -35.818 10.426 -6.872 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -31.547 10.465 -7.322 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -36.062 11.512 -9.090 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -31.790 11.551 -9.538 1.00 0.00 H new ATOM 0 HH TYR A 43 -33.617 11.669 -11.369 1.00 0.00 H new ATOM 146 N VAL A 44 -32.927 7.042 -7.734 1.00 0.00 N ATOM 147 CA VAL A 44 -31.879 6.462 -8.621 1.00 0.00 C ATOM 148 C VAL A 44 -31.805 7.267 -9.920 1.00 0.00 C ATOM 149 O VAL A 44 -32.811 7.577 -10.528 1.00 0.00 O ATOM 150 CB VAL A 44 -32.231 5.008 -8.942 1.00 0.00 C ATOM 151 CG1 VAL A 44 -31.130 4.396 -9.810 1.00 0.00 C ATOM 152 CG2 VAL A 44 -32.353 4.214 -7.639 1.00 0.00 C ATOM 0 H VAL A 44 -33.885 6.938 -8.068 1.00 0.00 H new ATOM 0 HA VAL A 44 -30.914 6.500 -8.115 1.00 0.00 H new ATOM 0 HB VAL A 44 -33.179 4.974 -9.480 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -31.381 3.360 -10.039 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -31.042 4.961 -10.738 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -30.182 4.430 -9.273 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -32.604 3.178 -7.866 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -31.405 4.248 -7.102 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -33.137 4.650 -7.020 1.00 0.00 H new ATOM 162 N TYR A 45 -30.621 7.607 -10.352 1.00 0.00 N ATOM 163 CA TYR A 45 -30.485 8.390 -11.613 1.00 0.00 C ATOM 164 C TYR A 45 -29.422 7.742 -12.503 1.00 0.00 C ATOM 165 O TYR A 45 -28.462 7.172 -12.025 1.00 0.00 O ATOM 166 CB TYR A 45 -30.065 9.824 -11.280 1.00 0.00 C ATOM 167 CG TYR A 45 -30.041 10.647 -12.545 1.00 0.00 C ATOM 168 CD1 TYR A 45 -31.201 11.302 -12.975 1.00 0.00 C ATOM 169 CD2 TYR A 45 -28.860 10.755 -13.288 1.00 0.00 C ATOM 170 CE1 TYR A 45 -31.179 12.065 -14.149 1.00 0.00 C ATOM 171 CE2 TYR A 45 -28.838 11.518 -14.461 1.00 0.00 C ATOM 172 CZ TYR A 45 -29.998 12.173 -14.892 1.00 0.00 C ATOM 173 OH TYR A 45 -29.976 12.925 -16.049 1.00 0.00 O ATOM 0 H TYR A 45 -29.743 7.377 -9.887 1.00 0.00 H new ATOM 0 HA TYR A 45 -31.440 8.403 -12.138 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -30.760 10.261 -10.562 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -29.080 9.827 -10.813 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -32.112 11.219 -12.402 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -27.965 10.249 -12.956 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -32.074 12.570 -14.481 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -27.926 11.602 -15.034 1.00 0.00 H new ATOM 0 HH TYR A 45 -29.078 12.895 -16.441 1.00 0.00 H new ATOM 183 N GLY A 46 -29.586 7.825 -13.796 1.00 0.00 N ATOM 184 CA GLY A 46 -28.584 7.212 -14.713 1.00 0.00 C ATOM 185 C GLY A 46 -29.083 7.310 -16.156 1.00 0.00 C ATOM 186 O GLY A 46 -30.137 7.852 -16.423 1.00 0.00 O ATOM 0 H GLY A 46 -30.369 8.290 -14.256 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -27.625 7.721 -14.613 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -28.420 6.168 -14.444 1.00 0.00 H new ATOM 190 N GLU A 47 -28.333 6.790 -17.089 1.00 0.00 N ATOM 191 CA GLU A 47 -28.764 6.852 -18.515 1.00 0.00 C ATOM 192 C GLU A 47 -29.097 5.443 -19.009 1.00 0.00 C ATOM 193 O GLU A 47 -28.571 4.463 -18.518 1.00 0.00 O ATOM 194 CB GLU A 47 -27.634 7.437 -19.364 1.00 0.00 C ATOM 195 CG GLU A 47 -27.334 8.864 -18.902 1.00 0.00 C ATOM 196 CD GLU A 47 -26.288 9.489 -19.827 1.00 0.00 C ATOM 197 OE1 GLU A 47 -25.738 8.766 -20.641 1.00 0.00 O ATOM 198 OE2 GLU A 47 -26.055 10.681 -19.705 1.00 0.00 O ATOM 0 H GLU A 47 -27.440 6.325 -16.926 1.00 0.00 H new ATOM 0 HA GLU A 47 -29.647 7.485 -18.601 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -26.740 6.819 -19.275 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -27.918 7.436 -20.416 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -28.246 9.460 -18.911 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.969 8.856 -17.875 1.00 0.00 H new ATOM 205 N ASP A 48 -29.965 5.333 -19.978 1.00 0.00 N ATOM 206 CA ASP A 48 -30.331 3.987 -20.502 1.00 0.00 C ATOM 207 C ASP A 48 -30.538 3.024 -19.332 1.00 0.00 C ATOM 208 O ASP A 48 -29.894 1.997 -19.239 1.00 0.00 O ATOM 209 CB ASP A 48 -29.205 3.465 -21.399 1.00 0.00 C ATOM 210 CG ASP A 48 -29.045 4.391 -22.606 1.00 0.00 C ATOM 211 OD1 ASP A 48 -29.961 5.153 -22.870 1.00 0.00 O ATOM 212 OD2 ASP A 48 -28.008 4.323 -23.246 1.00 0.00 O ATOM 0 H ASP A 48 -30.436 6.117 -20.429 1.00 0.00 H new ATOM 0 HA ASP A 48 -31.252 4.060 -21.080 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -28.272 3.416 -20.838 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -29.430 2.452 -21.732 1.00 0.00 H new ATOM 217 N MET A 49 -31.429 3.347 -18.436 1.00 0.00 N ATOM 218 CA MET A 49 -31.674 2.451 -17.271 1.00 0.00 C ATOM 219 C MET A 49 -32.937 1.623 -17.517 1.00 0.00 C ATOM 220 O MET A 49 -33.928 2.117 -18.018 1.00 0.00 O ATOM 221 CB MET A 49 -31.855 3.296 -16.008 1.00 0.00 C ATOM 222 CG MET A 49 -30.537 3.998 -15.672 1.00 0.00 C ATOM 223 SD MET A 49 -30.703 4.869 -14.094 1.00 0.00 S ATOM 224 CE MET A 49 -32.082 5.940 -14.570 1.00 0.00 C ATOM 0 H MET A 49 -31.998 4.193 -18.460 1.00 0.00 H new ATOM 0 HA MET A 49 -30.823 1.782 -17.143 1.00 0.00 H new ATOM 0 HB2 MET A 49 -32.644 4.033 -16.160 1.00 0.00 H new ATOM 0 HB3 MET A 49 -32.166 2.664 -15.176 1.00 0.00 H new ATOM 0 HG2 MET A 49 -29.729 3.269 -15.614 1.00 0.00 H new ATOM 0 HG3 MET A 49 -30.276 4.702 -16.462 1.00 0.00 H new ATOM 0 HE1 MET A 49 -32.150 6.777 -13.875 1.00 0.00 H new ATOM 0 HE2 MET A 49 -31.917 6.319 -15.579 1.00 0.00 H new ATOM 0 HE3 MET A 49 -33.011 5.370 -14.544 1.00 0.00 H new ATOM 234 N THR A 50 -32.909 0.366 -17.168 1.00 0.00 N ATOM 235 CA THR A 50 -34.106 -0.495 -17.380 1.00 0.00 C ATOM 236 C THR A 50 -34.554 -1.082 -16.040 1.00 0.00 C ATOM 237 O THR A 50 -33.831 -1.046 -15.065 1.00 0.00 O ATOM 238 CB THR A 50 -33.752 -1.631 -18.344 1.00 0.00 C ATOM 239 OG1 THR A 50 -32.401 -2.021 -18.136 1.00 0.00 O ATOM 240 CG2 THR A 50 -33.932 -1.155 -19.786 1.00 0.00 C ATOM 0 H THR A 50 -32.108 -0.102 -16.745 1.00 0.00 H new ATOM 0 HA THR A 50 -34.914 0.101 -17.803 1.00 0.00 H new ATOM 0 HB THR A 50 -34.409 -2.481 -18.161 1.00 0.00 H new ATOM 0 HG1 THR A 50 -32.172 -2.749 -18.751 1.00 0.00 H new ATOM 0 HG21 THR A 50 -33.680 -1.965 -20.471 1.00 0.00 H new ATOM 0 HG22 THR A 50 -34.968 -0.856 -19.944 1.00 0.00 H new ATOM 0 HG23 THR A 50 -33.277 -0.304 -19.973 1.00 0.00 H new ATOM 248 N PRO A 51 -35.776 -1.634 -15.997 1.00 0.00 N ATOM 249 CA PRO A 51 -36.333 -2.234 -14.777 1.00 0.00 C ATOM 250 C PRO A 51 -35.608 -3.528 -14.395 1.00 0.00 C ATOM 251 O PRO A 51 -35.237 -3.730 -13.256 1.00 0.00 O ATOM 252 CB PRO A 51 -37.782 -2.538 -15.157 1.00 0.00 C ATOM 253 CG PRO A 51 -37.759 -2.675 -16.641 1.00 0.00 C ATOM 254 CD PRO A 51 -36.711 -1.718 -17.133 1.00 0.00 C ATOM 0 HA PRO A 51 -36.234 -1.574 -13.915 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -38.134 -3.453 -14.680 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -38.451 -1.737 -14.843 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -37.521 -3.698 -16.934 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -38.733 -2.439 -17.069 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -36.219 -2.086 -18.033 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -37.137 -0.745 -17.378 1.00 0.00 H new ATOM 262 N THR A 52 -35.403 -4.406 -15.339 1.00 0.00 N ATOM 263 CA THR A 52 -34.703 -5.683 -15.025 1.00 0.00 C ATOM 264 C THR A 52 -33.332 -5.375 -14.423 1.00 0.00 C ATOM 265 O THR A 52 -32.895 -6.014 -13.486 1.00 0.00 O ATOM 266 CB THR A 52 -34.526 -6.499 -16.308 1.00 0.00 C ATOM 267 OG1 THR A 52 -35.352 -5.956 -17.329 1.00 0.00 O ATOM 268 CG2 THR A 52 -34.922 -7.953 -16.048 1.00 0.00 C ATOM 0 H THR A 52 -35.689 -4.294 -16.312 1.00 0.00 H new ATOM 0 HA THR A 52 -35.294 -6.256 -14.311 1.00 0.00 H new ATOM 0 HB THR A 52 -33.484 -6.460 -16.624 1.00 0.00 H new ATOM 0 HG1 THR A 52 -35.239 -6.476 -18.152 1.00 0.00 H new ATOM 0 HG21 THR A 52 -34.796 -8.533 -16.962 1.00 0.00 H new ATOM 0 HG22 THR A 52 -34.288 -8.368 -15.264 1.00 0.00 H new ATOM 0 HG23 THR A 52 -35.964 -7.995 -15.732 1.00 0.00 H new ATOM 276 N LEU A 53 -32.653 -4.397 -14.952 1.00 0.00 N ATOM 277 CA LEU A 53 -31.312 -4.042 -14.409 1.00 0.00 C ATOM 278 C LEU A 53 -31.472 -3.478 -12.997 1.00 0.00 C ATOM 279 O LEU A 53 -30.794 -3.884 -12.074 1.00 0.00 O ATOM 280 CB LEU A 53 -30.659 -2.989 -15.308 1.00 0.00 C ATOM 281 CG LEU A 53 -29.220 -2.749 -14.848 1.00 0.00 C ATOM 282 CD1 LEU A 53 -28.375 -3.988 -15.148 1.00 0.00 C ATOM 283 CD2 LEU A 53 -28.642 -1.544 -15.593 1.00 0.00 C ATOM 0 H LEU A 53 -32.968 -3.827 -15.737 1.00 0.00 H new ATOM 0 HA LEU A 53 -30.683 -4.932 -14.378 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -30.670 -3.324 -16.345 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -31.225 -2.059 -15.267 1.00 0.00 H new ATOM 0 HG LEU A 53 -29.209 -2.553 -13.776 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -27.350 -3.817 -14.820 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -28.787 -4.847 -14.618 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -28.385 -4.185 -16.220 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -27.617 -1.372 -15.266 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -28.653 -1.740 -16.665 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -29.244 -0.661 -15.379 1.00 0.00 H new ATOM 295 N LEU A 54 -32.367 -2.545 -12.821 1.00 0.00 N ATOM 296 CA LEU A 54 -32.574 -1.957 -11.469 1.00 0.00 C ATOM 297 C LEU A 54 -33.038 -3.050 -10.505 1.00 0.00 C ATOM 298 O LEU A 54 -32.530 -3.182 -9.410 1.00 0.00 O ATOM 299 CB LEU A 54 -33.636 -0.859 -11.546 1.00 0.00 C ATOM 300 CG LEU A 54 -33.090 0.321 -12.353 1.00 0.00 C ATOM 301 CD1 LEU A 54 -34.190 0.866 -13.266 1.00 0.00 C ATOM 302 CD2 LEU A 54 -32.630 1.422 -11.396 1.00 0.00 C ATOM 0 H LEU A 54 -32.964 -2.165 -13.556 1.00 0.00 H new ATOM 0 HA LEU A 54 -31.637 -1.530 -11.111 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -34.541 -1.246 -12.014 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -33.910 -0.532 -10.543 1.00 0.00 H new ATOM 0 HG LEU A 54 -32.246 -0.011 -12.958 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -33.802 1.707 -13.841 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -34.519 0.081 -13.947 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -35.033 1.199 -12.661 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -32.241 2.263 -11.969 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -33.474 1.754 -10.791 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -31.847 1.034 -10.744 1.00 0.00 H new ATOM 314 N ARG A 55 -34.000 -3.837 -10.905 1.00 0.00 N ATOM 315 CA ARG A 55 -34.492 -4.922 -10.010 1.00 0.00 C ATOM 316 C ARG A 55 -33.299 -5.714 -9.474 1.00 0.00 C ATOM 317 O ARG A 55 -33.241 -6.054 -8.309 1.00 0.00 O ATOM 318 CB ARG A 55 -35.414 -5.857 -10.795 1.00 0.00 C ATOM 319 CG ARG A 55 -35.992 -6.912 -9.850 1.00 0.00 C ATOM 320 CD ARG A 55 -36.837 -7.906 -10.649 1.00 0.00 C ATOM 321 NE ARG A 55 -37.529 -8.835 -9.710 1.00 0.00 N ATOM 322 CZ ARG A 55 -38.009 -9.967 -10.147 1.00 0.00 C ATOM 323 NH1 ARG A 55 -38.368 -10.086 -11.396 1.00 0.00 N ATOM 324 NH2 ARG A 55 -38.131 -10.981 -9.334 1.00 0.00 N ATOM 0 H ARG A 55 -34.465 -3.775 -11.811 1.00 0.00 H new ATOM 0 HA ARG A 55 -35.045 -4.485 -9.179 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -36.220 -5.287 -11.258 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -34.861 -6.339 -11.601 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -35.186 -7.435 -9.335 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -36.602 -6.434 -9.084 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -37.569 -7.373 -11.256 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -36.204 -8.469 -11.335 1.00 0.00 H new ATOM 0 HE ARG A 55 -37.627 -8.586 -8.726 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -38.273 -9.294 -12.032 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -38.743 -10.971 -11.737 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -37.851 -10.888 -8.358 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -38.506 -11.866 -9.675 1.00 0.00 H new ATOM 338 N GLY A 56 -32.346 -6.009 -10.314 1.00 0.00 N ATOM 339 CA GLY A 56 -31.157 -6.777 -9.851 1.00 0.00 C ATOM 340 C GLY A 56 -30.261 -5.863 -9.012 1.00 0.00 C ATOM 341 O GLY A 56 -29.519 -6.314 -8.162 1.00 0.00 O ATOM 0 H GLY A 56 -32.339 -5.751 -11.301 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -31.473 -7.638 -9.261 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -30.603 -7.163 -10.707 1.00 0.00 H new ATOM 345 N ALA A 57 -30.325 -4.581 -9.243 1.00 0.00 N ATOM 346 CA ALA A 57 -29.478 -3.638 -8.459 1.00 0.00 C ATOM 347 C ALA A 57 -30.126 -3.385 -7.096 1.00 0.00 C ATOM 348 O ALA A 57 -29.523 -2.814 -6.209 1.00 0.00 O ATOM 349 CB ALA A 57 -29.352 -2.315 -9.218 1.00 0.00 C ATOM 0 H ALA A 57 -30.927 -4.145 -9.941 1.00 0.00 H new ATOM 0 HA ALA A 57 -28.488 -4.070 -8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -28.733 -1.625 -8.645 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -28.892 -2.495 -10.189 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -30.342 -1.882 -9.361 1.00 0.00 H new ATOM 355 N PHE A 58 -31.351 -3.803 -6.923 1.00 0.00 N ATOM 356 CA PHE A 58 -32.036 -3.582 -5.617 1.00 0.00 C ATOM 357 C PHE A 58 -32.735 -4.871 -5.171 1.00 0.00 C ATOM 358 O PHE A 58 -33.347 -4.923 -4.123 1.00 0.00 O ATOM 359 CB PHE A 58 -33.073 -2.470 -5.772 1.00 0.00 C ATOM 360 CG PHE A 58 -32.370 -1.168 -6.072 1.00 0.00 C ATOM 361 CD1 PHE A 58 -31.959 -0.337 -5.022 1.00 0.00 C ATOM 362 CD2 PHE A 58 -32.128 -0.791 -7.398 1.00 0.00 C ATOM 363 CE1 PHE A 58 -31.306 0.869 -5.299 1.00 0.00 C ATOM 364 CE2 PHE A 58 -31.475 0.416 -7.675 1.00 0.00 C ATOM 365 CZ PHE A 58 -31.064 1.246 -6.625 1.00 0.00 C ATOM 0 H PHE A 58 -31.906 -4.287 -7.628 1.00 0.00 H new ATOM 0 HA PHE A 58 -31.298 -3.296 -4.867 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -33.768 -2.715 -6.576 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -33.662 -2.377 -4.859 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -32.146 -0.627 -3.999 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -32.445 -1.431 -8.208 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -30.989 1.509 -4.489 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -31.288 0.707 -8.698 1.00 0.00 H new ATOM 0 HZ PHE A 58 -30.560 2.177 -6.838 1.00 0.00 H new ATOM 375 N SER A 59 -32.652 -5.909 -5.957 1.00 0.00 N ATOM 376 CA SER A 59 -33.314 -7.189 -5.575 1.00 0.00 C ATOM 377 C SER A 59 -32.563 -7.826 -4.403 1.00 0.00 C ATOM 378 O SER A 59 -33.135 -8.098 -3.366 1.00 0.00 O ATOM 379 CB SER A 59 -33.304 -8.145 -6.770 1.00 0.00 C ATOM 380 OG SER A 59 -33.409 -9.483 -6.306 1.00 0.00 O ATOM 0 H SER A 59 -32.154 -5.926 -6.847 1.00 0.00 H new ATOM 0 HA SER A 59 -34.344 -6.990 -5.278 1.00 0.00 H new ATOM 0 HB2 SER A 59 -34.132 -7.915 -7.440 1.00 0.00 H new ATOM 0 HB3 SER A 59 -32.385 -8.018 -7.343 1.00 0.00 H new ATOM 0 HG SER A 59 -33.404 -10.096 -7.071 1.00 0.00 H new ATOM 386 N PRO A 60 -31.254 -8.069 -4.574 1.00 0.00 N ATOM 387 CA PRO A 60 -30.419 -8.677 -3.529 1.00 0.00 C ATOM 388 C PRO A 60 -30.211 -7.728 -2.346 1.00 0.00 C ATOM 389 O PRO A 60 -29.923 -8.148 -1.243 1.00 0.00 O ATOM 390 CB PRO A 60 -29.088 -8.932 -4.237 1.00 0.00 C ATOM 391 CG PRO A 60 -29.059 -7.941 -5.350 1.00 0.00 C ATOM 392 CD PRO A 60 -30.483 -7.772 -5.795 1.00 0.00 C ATOM 0 HA PRO A 60 -30.873 -9.576 -3.113 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -28.245 -8.792 -3.560 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -29.028 -9.953 -4.614 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -28.640 -6.992 -5.016 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -28.434 -8.294 -6.170 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -30.675 -6.762 -6.157 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -30.735 -8.454 -6.607 1.00 0.00 H new ATOM 400 N PHE A 61 -30.356 -6.451 -2.568 1.00 0.00 N ATOM 401 CA PHE A 61 -30.168 -5.475 -1.459 1.00 0.00 C ATOM 402 C PHE A 61 -31.344 -5.576 -0.486 1.00 0.00 C ATOM 403 O PHE A 61 -31.305 -5.049 0.608 1.00 0.00 O ATOM 404 CB PHE A 61 -30.103 -4.059 -2.033 1.00 0.00 C ATOM 405 CG PHE A 61 -28.729 -3.810 -2.606 1.00 0.00 C ATOM 406 CD1 PHE A 61 -27.669 -3.467 -1.758 1.00 0.00 C ATOM 407 CD2 PHE A 61 -28.515 -3.921 -3.985 1.00 0.00 C ATOM 408 CE1 PHE A 61 -26.395 -3.235 -2.290 1.00 0.00 C ATOM 409 CE2 PHE A 61 -27.241 -3.688 -4.517 1.00 0.00 C ATOM 410 CZ PHE A 61 -26.181 -3.345 -3.669 1.00 0.00 C ATOM 0 H PHE A 61 -30.597 -6.041 -3.470 1.00 0.00 H new ATOM 0 HA PHE A 61 -29.240 -5.698 -0.932 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -30.860 -3.934 -2.808 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -30.321 -3.329 -1.254 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -27.834 -3.381 -0.694 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -29.333 -4.186 -4.639 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -25.577 -2.971 -1.636 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -27.076 -3.773 -5.581 1.00 0.00 H new ATOM 0 HZ PHE A 61 -25.198 -3.165 -4.079 1.00 0.00 H new ATOM 420 N GLY A 62 -32.393 -6.251 -0.875 1.00 0.00 N ATOM 421 CA GLY A 62 -33.570 -6.385 0.029 1.00 0.00 C ATOM 422 C GLY A 62 -34.849 -6.466 -0.806 1.00 0.00 C ATOM 423 O GLY A 62 -34.817 -6.386 -2.018 1.00 0.00 O ATOM 0 H GLY A 62 -32.485 -6.715 -1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -33.468 -7.278 0.645 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -33.619 -5.533 0.708 1.00 0.00 H new ATOM 427 N ASN A 63 -35.976 -6.625 -0.168 1.00 0.00 N ATOM 428 CA ASN A 63 -37.257 -6.712 -0.925 1.00 0.00 C ATOM 429 C ASN A 63 -37.825 -5.305 -1.127 1.00 0.00 C ATOM 430 O ASN A 63 -37.738 -4.460 -0.259 1.00 0.00 O ATOM 431 CB ASN A 63 -38.259 -7.558 -0.136 1.00 0.00 C ATOM 432 CG ASN A 63 -37.666 -8.946 0.117 1.00 0.00 C ATOM 433 OD1 ASN A 63 -37.725 -9.452 1.220 1.00 0.00 O ATOM 434 ND2 ASN A 63 -37.092 -9.586 -0.865 1.00 0.00 N ATOM 0 H ASN A 63 -36.065 -6.698 0.845 1.00 0.00 H new ATOM 0 HA ASN A 63 -37.076 -7.174 -1.895 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -38.494 -7.073 0.811 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -39.194 -7.645 -0.690 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -36.693 -10.511 -0.707 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -37.043 -9.161 -1.791 1.00 0.00 H new ATOM 441 N ILE A 64 -38.404 -5.046 -2.268 1.00 0.00 N ATOM 442 CA ILE A 64 -38.973 -3.693 -2.523 1.00 0.00 C ATOM 443 C ILE A 64 -40.501 -3.759 -2.463 1.00 0.00 C ATOM 444 O ILE A 64 -41.128 -4.516 -3.177 1.00 0.00 O ATOM 445 CB ILE A 64 -38.538 -3.210 -3.908 1.00 0.00 C ATOM 446 CG1 ILE A 64 -37.010 -3.204 -3.990 1.00 0.00 C ATOM 447 CG2 ILE A 64 -39.068 -1.795 -4.144 1.00 0.00 C ATOM 448 CD1 ILE A 64 -36.578 -3.149 -5.456 1.00 0.00 C ATOM 0 H ILE A 64 -38.507 -5.712 -3.033 1.00 0.00 H new ATOM 0 HA ILE A 64 -38.611 -2.999 -1.764 1.00 0.00 H new ATOM 0 HB ILE A 64 -38.939 -3.879 -4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -36.610 -2.346 -3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -36.606 -4.098 -3.514 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -38.758 -1.450 -5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -40.156 -1.800 -4.086 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -38.667 -1.125 -3.383 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -35.490 -3.145 -5.515 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -36.966 -4.021 -5.983 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -36.970 -2.242 -5.917 1.00 0.00 H new ATOM 460 N ILE A 65 -41.105 -2.968 -1.619 1.00 0.00 N ATOM 461 CA ILE A 65 -42.591 -2.984 -1.517 1.00 0.00 C ATOM 462 C ILE A 65 -43.191 -2.311 -2.752 1.00 0.00 C ATOM 463 O ILE A 65 -44.261 -2.663 -3.206 1.00 0.00 O ATOM 464 CB ILE A 65 -43.025 -2.223 -0.262 1.00 0.00 C ATOM 465 CG1 ILE A 65 -42.772 -0.727 -0.460 1.00 0.00 C ATOM 466 CG2 ILE A 65 -42.221 -2.721 0.940 1.00 0.00 C ATOM 467 CD1 ILE A 65 -43.333 0.048 0.733 1.00 0.00 C ATOM 0 H ILE A 65 -40.634 -2.312 -0.996 1.00 0.00 H new ATOM 0 HA ILE A 65 -42.941 -4.015 -1.456 1.00 0.00 H new ATOM 0 HB ILE A 65 -44.087 -2.392 -0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -41.703 -0.538 -0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -43.243 -0.387 -1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -42.530 -2.179 1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -42.400 -3.787 1.081 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -41.159 -2.552 0.762 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -43.153 1.114 0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -44.405 -0.131 0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -42.841 -0.285 1.647 1.00 0.00 H new ATOM 479 N ASP A 66 -42.507 -1.344 -3.298 1.00 0.00 N ATOM 480 CA ASP A 66 -43.034 -0.646 -4.505 1.00 0.00 C ATOM 481 C ASP A 66 -41.865 -0.203 -5.387 1.00 0.00 C ATOM 482 O ASP A 66 -40.891 0.349 -4.913 1.00 0.00 O ATOM 483 CB ASP A 66 -43.839 0.581 -4.073 1.00 0.00 C ATOM 484 CG ASP A 66 -44.500 1.215 -5.299 1.00 0.00 C ATOM 485 OD1 ASP A 66 -45.554 0.742 -5.691 1.00 0.00 O ATOM 486 OD2 ASP A 66 -43.941 2.163 -5.825 1.00 0.00 O ATOM 0 H ASP A 66 -41.605 -1.007 -2.961 1.00 0.00 H new ATOM 0 HA ASP A 66 -43.677 -1.324 -5.066 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -44.598 0.294 -3.345 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -43.186 1.304 -3.584 1.00 0.00 H new ATOM 491 N LEU A 67 -41.952 -0.440 -6.667 1.00 0.00 N ATOM 492 CA LEU A 67 -40.846 -0.031 -7.578 1.00 0.00 C ATOM 493 C LEU A 67 -41.392 0.922 -8.642 1.00 0.00 C ATOM 494 O LEU A 67 -42.356 0.624 -9.320 1.00 0.00 O ATOM 495 CB LEU A 67 -40.259 -1.272 -8.255 1.00 0.00 C ATOM 496 CG LEU A 67 -39.068 -0.863 -9.125 1.00 0.00 C ATOM 497 CD1 LEU A 67 -37.891 -1.802 -8.851 1.00 0.00 C ATOM 498 CD2 LEU A 67 -39.460 -0.954 -10.601 1.00 0.00 C ATOM 0 H LEU A 67 -42.741 -0.899 -7.121 1.00 0.00 H new ATOM 0 HA LEU A 67 -40.067 0.472 -7.005 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -39.942 -1.994 -7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -41.019 -1.760 -8.866 1.00 0.00 H new ATOM 0 HG LEU A 67 -38.779 0.161 -8.888 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -37.042 -1.512 -9.470 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -37.612 -1.738 -7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -38.180 -2.826 -9.088 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -38.612 -0.663 -11.221 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -39.749 -1.978 -10.838 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -40.299 -0.286 -10.797 1.00 0.00 H new ATOM 510 N SER A 68 -40.787 2.068 -8.793 1.00 0.00 N ATOM 511 CA SER A 68 -41.276 3.039 -9.813 1.00 0.00 C ATOM 512 C SER A 68 -40.123 3.433 -10.739 1.00 0.00 C ATOM 513 O SER A 68 -38.965 3.308 -10.394 1.00 0.00 O ATOM 514 CB SER A 68 -41.815 4.287 -9.110 1.00 0.00 C ATOM 515 OG SER A 68 -42.526 5.086 -10.044 1.00 0.00 O ATOM 0 H SER A 68 -39.976 2.374 -8.255 1.00 0.00 H new ATOM 0 HA SER A 68 -42.071 2.579 -10.400 1.00 0.00 H new ATOM 0 HB2 SER A 68 -42.470 4.000 -8.288 1.00 0.00 H new ATOM 0 HB3 SER A 68 -40.993 4.858 -8.678 1.00 0.00 H new ATOM 0 HG SER A 68 -42.873 5.885 -9.594 1.00 0.00 H new ATOM 521 N MET A 69 -40.433 3.911 -11.914 1.00 0.00 N ATOM 522 CA MET A 69 -39.358 4.316 -12.863 1.00 0.00 C ATOM 523 C MET A 69 -39.781 5.595 -13.590 1.00 0.00 C ATOM 524 O MET A 69 -40.951 5.835 -13.811 1.00 0.00 O ATOM 525 CB MET A 69 -39.132 3.199 -13.884 1.00 0.00 C ATOM 526 CG MET A 69 -38.483 1.998 -13.192 1.00 0.00 C ATOM 527 SD MET A 69 -37.871 0.840 -14.441 1.00 0.00 S ATOM 528 CE MET A 69 -36.473 1.838 -15.009 1.00 0.00 C ATOM 0 H MET A 69 -41.385 4.038 -12.257 1.00 0.00 H new ATOM 0 HA MET A 69 -38.434 4.497 -12.314 1.00 0.00 H new ATOM 0 HB2 MET A 69 -40.081 2.905 -14.333 1.00 0.00 H new ATOM 0 HB3 MET A 69 -38.494 3.555 -14.693 1.00 0.00 H new ATOM 0 HG2 MET A 69 -37.663 2.331 -12.556 1.00 0.00 H new ATOM 0 HG3 MET A 69 -39.207 1.503 -12.545 1.00 0.00 H new ATOM 0 HE1 MET A 69 -35.688 1.183 -15.387 1.00 0.00 H new ATOM 0 HE2 MET A 69 -36.803 2.506 -15.804 1.00 0.00 H new ATOM 0 HE3 MET A 69 -36.085 2.427 -14.178 1.00 0.00 H new ATOM 538 N ASP A 70 -38.839 6.419 -13.962 1.00 0.00 N ATOM 539 CA ASP A 70 -39.194 7.681 -14.671 1.00 0.00 C ATOM 540 C ASP A 70 -38.450 7.745 -16.007 1.00 0.00 C ATOM 541 O ASP A 70 -37.288 8.095 -16.064 1.00 0.00 O ATOM 542 CB ASP A 70 -38.794 8.880 -13.810 1.00 0.00 C ATOM 543 CG ASP A 70 -40.042 9.688 -13.448 1.00 0.00 C ATOM 544 OD1 ASP A 70 -40.611 10.293 -14.341 1.00 0.00 O ATOM 545 OD2 ASP A 70 -40.406 9.688 -12.284 1.00 0.00 O ATOM 0 H ASP A 70 -37.842 6.273 -13.806 1.00 0.00 H new ATOM 0 HA ASP A 70 -40.269 7.704 -14.852 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -38.293 8.539 -12.904 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -38.085 9.508 -14.349 1.00 0.00 H new ATOM 550 N PRO A 71 -39.143 7.399 -17.104 1.00 0.00 N ATOM 551 CA PRO A 71 -38.554 7.419 -18.443 1.00 0.00 C ATOM 552 C PRO A 71 -38.375 8.839 -19.019 1.00 0.00 C ATOM 553 O PRO A 71 -37.494 9.061 -19.825 1.00 0.00 O ATOM 554 CB PRO A 71 -39.547 6.621 -19.286 1.00 0.00 C ATOM 555 CG PRO A 71 -40.854 6.733 -18.574 1.00 0.00 C ATOM 556 CD PRO A 71 -40.550 6.959 -17.114 1.00 0.00 C ATOM 0 HA PRO A 71 -37.546 7.005 -18.432 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -39.615 7.022 -20.297 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -39.237 5.580 -19.377 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -41.442 7.558 -18.977 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -41.444 5.826 -18.708 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -41.207 7.714 -16.682 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -40.687 6.047 -16.532 1.00 0.00 H new ATOM 564 N PRO A 72 -39.210 9.826 -18.617 1.00 0.00 N ATOM 565 CA PRO A 72 -39.086 11.194 -19.134 1.00 0.00 C ATOM 566 C PRO A 72 -37.904 11.938 -18.505 1.00 0.00 C ATOM 567 O PRO A 72 -37.378 12.876 -19.070 1.00 0.00 O ATOM 568 CB PRO A 72 -40.394 11.861 -18.719 1.00 0.00 C ATOM 569 CG PRO A 72 -40.852 11.102 -17.519 1.00 0.00 C ATOM 570 CD PRO A 72 -40.320 9.700 -17.651 1.00 0.00 C ATOM 0 HA PRO A 72 -38.909 11.204 -20.210 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -40.243 12.915 -18.485 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -41.132 11.815 -19.520 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -40.485 11.569 -16.605 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -41.940 11.097 -17.459 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -39.973 9.313 -16.693 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -41.087 9.015 -18.012 1.00 0.00 H new ATOM 578 N ARG A 73 -37.487 11.530 -17.338 1.00 0.00 N ATOM 579 CA ARG A 73 -36.343 12.219 -16.674 1.00 0.00 C ATOM 580 C ARG A 73 -35.166 11.251 -16.535 1.00 0.00 C ATOM 581 O ARG A 73 -34.128 11.596 -16.006 1.00 0.00 O ATOM 582 CB ARG A 73 -36.775 12.698 -15.287 1.00 0.00 C ATOM 583 CG ARG A 73 -37.875 13.753 -15.430 1.00 0.00 C ATOM 584 CD ARG A 73 -38.196 14.345 -14.056 1.00 0.00 C ATOM 585 NE ARG A 73 -38.575 13.250 -13.119 1.00 0.00 N ATOM 586 CZ ARG A 73 -38.402 13.400 -11.834 1.00 0.00 C ATOM 587 NH1 ARG A 73 -39.436 13.494 -11.043 1.00 0.00 N ATOM 588 NH2 ARG A 73 -37.195 13.457 -11.341 1.00 0.00 N ATOM 0 H ARG A 73 -37.888 10.751 -16.816 1.00 0.00 H new ATOM 0 HA ARG A 73 -36.037 13.073 -17.278 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -37.138 11.857 -14.697 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -35.922 13.117 -14.753 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -37.552 14.541 -16.111 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -38.769 13.305 -15.863 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -37.332 14.885 -13.670 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -39.010 15.065 -14.140 1.00 0.00 H new ATOM 0 HE ARG A 73 -38.970 12.383 -13.482 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -40.379 13.450 -11.429 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -39.301 13.611 -10.039 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -36.387 13.384 -11.960 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -37.059 13.574 -10.337 1.00 0.00 H new ATOM 602 N ASN A 74 -35.316 10.042 -17.003 1.00 0.00 N ATOM 603 CA ASN A 74 -34.201 9.058 -16.894 1.00 0.00 C ATOM 604 C ASN A 74 -33.887 8.804 -15.419 1.00 0.00 C ATOM 605 O ASN A 74 -32.741 8.702 -15.027 1.00 0.00 O ATOM 606 CB ASN A 74 -32.958 9.616 -17.590 1.00 0.00 C ATOM 607 CG ASN A 74 -33.248 9.805 -19.081 1.00 0.00 C ATOM 608 OD1 ASN A 74 -34.205 9.265 -19.599 1.00 0.00 O ATOM 609 ND2 ASN A 74 -32.456 10.556 -19.796 1.00 0.00 N ATOM 0 H ASN A 74 -36.161 9.693 -17.456 1.00 0.00 H new ATOM 0 HA ASN A 74 -34.495 8.122 -17.370 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -32.673 10.567 -17.141 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -32.117 8.936 -17.456 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -32.640 10.690 -20.790 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -31.653 11.009 -19.361 1.00 0.00 H new ATOM 616 N CYS A 75 -34.895 8.702 -14.597 1.00 0.00 N ATOM 617 CA CYS A 75 -34.652 8.455 -13.148 1.00 0.00 C ATOM 618 C CYS A 75 -35.505 7.274 -12.681 1.00 0.00 C ATOM 619 O CYS A 75 -36.415 6.845 -13.363 1.00 0.00 O ATOM 620 CB CYS A 75 -35.027 9.703 -12.347 1.00 0.00 C ATOM 621 SG CYS A 75 -34.498 11.181 -13.249 1.00 0.00 S ATOM 0 H CYS A 75 -35.876 8.779 -14.866 1.00 0.00 H new ATOM 0 HA CYS A 75 -33.598 8.226 -12.991 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -36.104 9.731 -12.181 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -34.554 9.674 -11.366 1.00 0.00 H new ATOM 0 HG CYS A 75 -33.243 11.069 -13.567 1.00 0.00 H new ATOM 627 N ALA A 76 -35.218 6.744 -11.523 1.00 0.00 N ATOM 628 CA ALA A 76 -36.013 5.591 -11.014 1.00 0.00 C ATOM 629 C ALA A 76 -36.141 5.692 -9.492 1.00 0.00 C ATOM 630 O ALA A 76 -35.294 6.251 -8.824 1.00 0.00 O ATOM 631 CB ALA A 76 -35.308 4.283 -11.380 1.00 0.00 C ATOM 0 H ALA A 76 -34.468 7.060 -10.908 1.00 0.00 H new ATOM 0 HA ALA A 76 -37.005 5.607 -11.465 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -35.890 3.440 -11.008 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -35.216 4.210 -12.464 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -34.315 4.266 -10.930 1.00 0.00 H new ATOM 637 N PHE A 77 -37.194 5.155 -8.940 1.00 0.00 N ATOM 638 CA PHE A 77 -37.376 5.220 -7.462 1.00 0.00 C ATOM 639 C PHE A 77 -37.390 3.801 -6.890 1.00 0.00 C ATOM 640 O PHE A 77 -37.992 2.904 -7.446 1.00 0.00 O ATOM 641 CB PHE A 77 -38.701 5.914 -7.141 1.00 0.00 C ATOM 642 CG PHE A 77 -38.654 7.339 -7.639 1.00 0.00 C ATOM 643 CD1 PHE A 77 -38.141 8.350 -6.819 1.00 0.00 C ATOM 644 CD2 PHE A 77 -39.121 7.647 -8.922 1.00 0.00 C ATOM 645 CE1 PHE A 77 -38.097 9.671 -7.281 1.00 0.00 C ATOM 646 CE2 PHE A 77 -39.076 8.968 -9.385 1.00 0.00 C ATOM 647 CZ PHE A 77 -38.564 9.980 -8.564 1.00 0.00 C ATOM 0 H PHE A 77 -37.936 4.674 -9.448 1.00 0.00 H new ATOM 0 HA PHE A 77 -36.556 5.784 -7.018 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -39.527 5.380 -7.611 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -38.881 5.898 -6.066 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -37.779 8.111 -5.830 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -39.516 6.866 -9.555 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -37.703 10.452 -6.647 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -39.436 9.206 -10.375 1.00 0.00 H new ATOM 0 HZ PHE A 77 -38.529 10.999 -8.920 1.00 0.00 H new ATOM 657 N VAL A 78 -36.729 3.589 -5.785 1.00 0.00 N ATOM 658 CA VAL A 78 -36.704 2.227 -5.184 1.00 0.00 C ATOM 659 C VAL A 78 -37.175 2.297 -3.730 1.00 0.00 C ATOM 660 O VAL A 78 -36.622 3.016 -2.922 1.00 0.00 O ATOM 661 CB VAL A 78 -35.277 1.679 -5.229 1.00 0.00 C ATOM 662 CG1 VAL A 78 -35.270 0.233 -4.728 1.00 0.00 C ATOM 663 CG2 VAL A 78 -34.758 1.724 -6.667 1.00 0.00 C ATOM 0 H VAL A 78 -36.206 4.300 -5.273 1.00 0.00 H new ATOM 0 HA VAL A 78 -37.367 1.571 -5.748 1.00 0.00 H new ATOM 0 HB VAL A 78 -34.634 2.287 -4.592 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -34.253 -0.158 -4.760 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -35.639 0.201 -3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -35.913 -0.376 -5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -33.741 1.333 -6.699 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -35.400 1.117 -7.305 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -34.762 2.754 -7.023 1.00 0.00 H new ATOM 673 N THR A 79 -38.190 1.551 -3.389 1.00 0.00 N ATOM 674 CA THR A 79 -38.693 1.570 -1.987 1.00 0.00 C ATOM 675 C THR A 79 -38.198 0.318 -1.257 1.00 0.00 C ATOM 676 O THR A 79 -38.219 -0.772 -1.794 1.00 0.00 O ATOM 677 CB THR A 79 -40.223 1.587 -1.993 1.00 0.00 C ATOM 678 OG1 THR A 79 -40.679 2.623 -2.852 1.00 0.00 O ATOM 679 CG2 THR A 79 -40.739 1.834 -0.574 1.00 0.00 C ATOM 0 H THR A 79 -38.693 0.929 -4.022 1.00 0.00 H new ATOM 0 HA THR A 79 -38.324 2.460 -1.478 1.00 0.00 H new ATOM 0 HB THR A 79 -40.596 0.627 -2.350 1.00 0.00 H new ATOM 0 HG1 THR A 79 -40.865 2.253 -3.740 1.00 0.00 H new ATOM 0 HG21 THR A 79 -41.829 1.846 -0.580 1.00 0.00 H new ATOM 0 HG22 THR A 79 -40.388 1.039 0.084 1.00 0.00 H new ATOM 0 HG23 THR A 79 -40.368 2.793 -0.214 1.00 0.00 H new ATOM 687 N TYR A 80 -37.750 0.464 -0.040 1.00 0.00 N ATOM 688 CA TYR A 80 -37.253 -0.721 0.714 1.00 0.00 C ATOM 689 C TYR A 80 -38.056 -0.882 2.006 1.00 0.00 C ATOM 690 O TYR A 80 -38.284 0.067 2.730 1.00 0.00 O ATOM 691 CB TYR A 80 -35.775 -0.524 1.057 1.00 0.00 C ATOM 692 CG TYR A 80 -34.921 -1.117 -0.037 1.00 0.00 C ATOM 693 CD1 TYR A 80 -35.195 -2.403 -0.521 1.00 0.00 C ATOM 694 CD2 TYR A 80 -33.854 -0.382 -0.568 1.00 0.00 C ATOM 695 CE1 TYR A 80 -34.402 -2.952 -1.535 1.00 0.00 C ATOM 696 CE2 TYR A 80 -33.061 -0.932 -1.582 1.00 0.00 C ATOM 697 CZ TYR A 80 -33.335 -2.217 -2.066 1.00 0.00 C ATOM 698 OH TYR A 80 -32.555 -2.759 -3.066 1.00 0.00 O ATOM 0 H TYR A 80 -37.707 1.350 0.463 1.00 0.00 H new ATOM 0 HA TYR A 80 -37.370 -1.614 0.100 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -35.555 0.538 1.169 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -35.545 -1.000 2.010 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -36.018 -2.970 -0.112 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -33.643 0.609 -0.195 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -34.613 -3.943 -1.908 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -32.238 -0.365 -1.991 1.00 0.00 H new ATOM 0 HH TYR A 80 -32.656 -3.734 -3.068 1.00 0.00 H new ATOM 708 N GLU A 81 -38.483 -2.079 2.304 1.00 0.00 N ATOM 709 CA GLU A 81 -39.266 -2.301 3.552 1.00 0.00 C ATOM 710 C GLU A 81 -38.361 -2.065 4.763 1.00 0.00 C ATOM 711 O GLU A 81 -38.822 -1.780 5.850 1.00 0.00 O ATOM 712 CB GLU A 81 -39.789 -3.739 3.578 1.00 0.00 C ATOM 713 CG GLU A 81 -40.759 -3.909 4.749 1.00 0.00 C ATOM 714 CD GLU A 81 -41.183 -5.376 4.851 1.00 0.00 C ATOM 715 OE1 GLU A 81 -40.729 -6.161 4.035 1.00 0.00 O ATOM 716 OE2 GLU A 81 -41.955 -5.688 5.742 1.00 0.00 O ATOM 0 H GLU A 81 -38.323 -2.912 1.737 1.00 0.00 H new ATOM 0 HA GLU A 81 -40.108 -1.610 3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -40.292 -3.971 2.639 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -38.958 -4.438 3.676 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -40.284 -3.591 5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -41.634 -3.275 4.605 1.00 0.00 H new ATOM 723 N LYS A 82 -37.074 -2.179 4.580 1.00 0.00 N ATOM 724 CA LYS A 82 -36.136 -1.960 5.716 1.00 0.00 C ATOM 725 C LYS A 82 -35.265 -0.736 5.426 1.00 0.00 C ATOM 726 O LYS A 82 -34.694 -0.607 4.362 1.00 0.00 O ATOM 727 CB LYS A 82 -35.244 -3.192 5.886 1.00 0.00 C ATOM 728 CG LYS A 82 -34.672 -3.216 7.305 1.00 0.00 C ATOM 729 CD LYS A 82 -33.685 -4.378 7.438 1.00 0.00 C ATOM 730 CE LYS A 82 -32.987 -4.300 8.797 1.00 0.00 C ATOM 731 NZ LYS A 82 -33.170 -5.587 9.524 1.00 0.00 N ATOM 0 H LYS A 82 -36.632 -2.415 3.692 1.00 0.00 H new ATOM 0 HA LYS A 82 -36.704 -1.795 6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -35.819 -4.099 5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -34.434 -3.171 5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -34.171 -2.273 7.523 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -35.477 -3.324 8.031 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -34.210 -5.328 7.341 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -32.948 -4.337 6.636 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -31.925 -4.095 8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -33.398 -3.478 9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -32.696 -5.534 10.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -34.185 -5.764 9.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -32.757 -6.362 8.967 1.00 0.00 H new ATOM 745 N MET A 83 -35.162 0.166 6.364 1.00 0.00 N ATOM 746 CA MET A 83 -34.330 1.381 6.140 1.00 0.00 C ATOM 747 C MET A 83 -32.875 0.970 5.904 1.00 0.00 C ATOM 748 O MET A 83 -32.117 1.673 5.265 1.00 0.00 O ATOM 749 CB MET A 83 -34.411 2.287 7.370 1.00 0.00 C ATOM 750 CG MET A 83 -35.855 2.755 7.565 1.00 0.00 C ATOM 751 SD MET A 83 -35.904 4.055 8.822 1.00 0.00 S ATOM 752 CE MET A 83 -35.208 5.380 7.805 1.00 0.00 C ATOM 0 H MET A 83 -35.618 0.114 7.275 1.00 0.00 H new ATOM 0 HA MET A 83 -34.700 1.918 5.267 1.00 0.00 H new ATOM 0 HB2 MET A 83 -34.069 1.749 8.254 1.00 0.00 H new ATOM 0 HB3 MET A 83 -33.753 3.147 7.246 1.00 0.00 H new ATOM 0 HG2 MET A 83 -36.257 3.129 6.624 1.00 0.00 H new ATOM 0 HG3 MET A 83 -36.482 1.917 7.869 1.00 0.00 H new ATOM 0 HE1 MET A 83 -34.244 5.684 8.213 1.00 0.00 H new ATOM 0 HE2 MET A 83 -35.073 5.022 6.784 1.00 0.00 H new ATOM 0 HE3 MET A 83 -35.887 6.233 7.804 1.00 0.00 H new ATOM 762 N GLU A 84 -32.477 -0.164 6.415 1.00 0.00 N ATOM 763 CA GLU A 84 -31.071 -0.616 6.218 1.00 0.00 C ATOM 764 C GLU A 84 -30.883 -1.087 4.775 1.00 0.00 C ATOM 765 O GLU A 84 -29.802 -1.015 4.224 1.00 0.00 O ATOM 766 CB GLU A 84 -30.768 -1.771 7.175 1.00 0.00 C ATOM 767 CG GLU A 84 -30.772 -1.254 8.615 1.00 0.00 C ATOM 768 CD GLU A 84 -30.188 -2.323 9.542 1.00 0.00 C ATOM 769 OE1 GLU A 84 -29.811 -3.370 9.042 1.00 0.00 O ATOM 770 OE2 GLU A 84 -30.128 -2.076 10.735 1.00 0.00 O ATOM 0 H GLU A 84 -33.064 -0.796 6.959 1.00 0.00 H new ATOM 0 HA GLU A 84 -30.392 0.212 6.421 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -31.512 -2.559 7.058 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -29.799 -2.210 6.937 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -30.187 -0.337 8.685 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -31.789 -1.007 8.921 1.00 0.00 H new ATOM 777 N SER A 85 -31.926 -1.570 4.157 1.00 0.00 N ATOM 778 CA SER A 85 -31.806 -2.046 2.750 1.00 0.00 C ATOM 779 C SER A 85 -31.554 -0.851 1.828 1.00 0.00 C ATOM 780 O SER A 85 -30.908 -0.969 0.806 1.00 0.00 O ATOM 781 CB SER A 85 -33.101 -2.747 2.337 1.00 0.00 C ATOM 782 OG SER A 85 -33.373 -3.810 3.239 1.00 0.00 O ATOM 0 H SER A 85 -32.856 -1.656 4.566 1.00 0.00 H new ATOM 0 HA SER A 85 -30.974 -2.746 2.672 1.00 0.00 H new ATOM 0 HB2 SER A 85 -33.927 -2.036 2.336 1.00 0.00 H new ATOM 0 HB3 SER A 85 -33.011 -3.132 1.321 1.00 0.00 H new ATOM 0 HG SER A 85 -34.204 -4.258 2.975 1.00 0.00 H new ATOM 788 N ALA A 86 -32.060 0.298 2.181 1.00 0.00 N ATOM 789 CA ALA A 86 -31.851 1.499 1.325 1.00 0.00 C ATOM 790 C ALA A 86 -30.458 2.077 1.585 1.00 0.00 C ATOM 791 O ALA A 86 -29.747 2.442 0.671 1.00 0.00 O ATOM 792 CB ALA A 86 -32.910 2.553 1.658 1.00 0.00 C ATOM 0 H ALA A 86 -32.609 0.457 3.026 1.00 0.00 H new ATOM 0 HA ALA A 86 -31.936 1.216 0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -32.758 3.432 1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -33.903 2.143 1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -32.825 2.836 2.707 1.00 0.00 H new ATOM 798 N ASP A 87 -30.064 2.164 2.826 1.00 0.00 N ATOM 799 CA ASP A 87 -28.718 2.721 3.144 1.00 0.00 C ATOM 800 C ASP A 87 -27.636 1.757 2.656 1.00 0.00 C ATOM 801 O ASP A 87 -26.580 2.165 2.215 1.00 0.00 O ATOM 802 CB ASP A 87 -28.589 2.908 4.657 1.00 0.00 C ATOM 803 CG ASP A 87 -27.324 3.711 4.965 1.00 0.00 C ATOM 804 OD1 ASP A 87 -26.704 4.187 4.028 1.00 0.00 O ATOM 805 OD2 ASP A 87 -26.996 3.838 6.134 1.00 0.00 O ATOM 0 H ASP A 87 -30.615 1.874 3.633 1.00 0.00 H new ATOM 0 HA ASP A 87 -28.597 3.683 2.646 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -29.465 3.426 5.046 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -28.546 1.938 5.152 1.00 0.00 H new ATOM 810 N GLN A 88 -27.889 0.481 2.735 1.00 0.00 N ATOM 811 CA GLN A 88 -26.874 -0.510 2.279 1.00 0.00 C ATOM 812 C GLN A 88 -26.823 -0.525 0.750 1.00 0.00 C ATOM 813 O GLN A 88 -25.780 -0.713 0.156 1.00 0.00 O ATOM 814 CB GLN A 88 -27.256 -1.901 2.789 1.00 0.00 C ATOM 815 CG GLN A 88 -26.166 -2.904 2.406 1.00 0.00 C ATOM 816 CD GLN A 88 -26.570 -4.302 2.878 1.00 0.00 C ATOM 817 OE1 GLN A 88 -27.566 -4.463 3.555 1.00 0.00 O ATOM 818 NE2 GLN A 88 -25.833 -5.327 2.547 1.00 0.00 N ATOM 0 H GLN A 88 -28.755 0.081 3.096 1.00 0.00 H new ATOM 0 HA GLN A 88 -25.896 -0.233 2.672 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -27.382 -1.881 3.872 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -28.212 -2.206 2.363 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -26.018 -2.902 1.326 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -25.217 -2.616 2.858 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -24.997 -5.192 1.979 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -26.093 -6.263 2.857 1.00 0.00 H new ATOM 827 N ALA A 89 -27.941 -0.329 0.110 1.00 0.00 N ATOM 828 CA ALA A 89 -27.959 -0.334 -1.380 1.00 0.00 C ATOM 829 C ALA A 89 -27.474 1.019 -1.906 1.00 0.00 C ATOM 830 O ALA A 89 -26.845 1.103 -2.941 1.00 0.00 O ATOM 831 CB ALA A 89 -29.386 -0.589 -1.871 1.00 0.00 C ATOM 0 H ALA A 89 -28.845 -0.165 0.554 1.00 0.00 H new ATOM 0 HA ALA A 89 -27.300 -1.121 -1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -29.401 -0.593 -2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -29.731 -1.554 -1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -30.044 0.198 -1.502 1.00 0.00 H new ATOM 837 N VAL A 90 -27.765 2.079 -1.202 1.00 0.00 N ATOM 838 CA VAL A 90 -27.323 3.425 -1.665 1.00 0.00 C ATOM 839 C VAL A 90 -25.805 3.548 -1.516 1.00 0.00 C ATOM 840 O VAL A 90 -25.146 4.197 -2.304 1.00 0.00 O ATOM 841 CB VAL A 90 -28.007 4.503 -0.822 1.00 0.00 C ATOM 842 CG1 VAL A 90 -27.386 5.866 -1.135 1.00 0.00 C ATOM 843 CG2 VAL A 90 -29.500 4.535 -1.151 1.00 0.00 C ATOM 0 H VAL A 90 -28.289 2.071 -0.327 1.00 0.00 H new ATOM 0 HA VAL A 90 -27.594 3.554 -2.713 1.00 0.00 H new ATOM 0 HB VAL A 90 -27.872 4.277 0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -27.873 6.634 -0.535 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -26.322 5.843 -0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -27.520 6.093 -2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -29.988 5.303 -0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -29.635 4.761 -2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -29.943 3.564 -0.928 1.00 0.00 H new ATOM 853 N ALA A 91 -25.244 2.933 -0.511 1.00 0.00 N ATOM 854 CA ALA A 91 -23.770 3.020 -0.315 1.00 0.00 C ATOM 855 C ALA A 91 -23.067 2.055 -1.273 1.00 0.00 C ATOM 856 O ALA A 91 -22.004 2.341 -1.787 1.00 0.00 O ATOM 857 CB ALA A 91 -23.424 2.648 1.128 1.00 0.00 C ATOM 0 H ALA A 91 -25.742 2.375 0.182 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.438 4.038 -0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.345 2.712 1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -23.922 3.336 1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.758 1.630 1.331 1.00 0.00 H new ATOM 863 N GLU A 92 -23.651 0.914 -1.516 1.00 0.00 N ATOM 864 CA GLU A 92 -23.014 -0.067 -2.439 1.00 0.00 C ATOM 865 C GLU A 92 -23.330 0.314 -3.887 1.00 0.00 C ATOM 866 O GLU A 92 -22.490 0.220 -4.760 1.00 0.00 O ATOM 867 CB GLU A 92 -23.557 -1.467 -2.149 1.00 0.00 C ATOM 868 CG GLU A 92 -23.083 -1.924 -0.768 1.00 0.00 C ATOM 869 CD GLU A 92 -21.555 -2.012 -0.757 1.00 0.00 C ATOM 870 OE1 GLU A 92 -20.973 -2.009 -1.829 1.00 0.00 O ATOM 871 OE2 GLU A 92 -20.993 -2.082 0.324 1.00 0.00 O ATOM 0 H GLU A 92 -24.541 0.619 -1.115 1.00 0.00 H new ATOM 0 HA GLU A 92 -21.934 -0.058 -2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -24.646 -1.461 -2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -23.215 -2.166 -2.912 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -23.423 -1.224 -0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -23.516 -2.895 -0.526 1.00 0.00 H new ATOM 878 N LEU A 93 -24.534 0.742 -4.148 1.00 0.00 N ATOM 879 CA LEU A 93 -24.902 1.128 -5.540 1.00 0.00 C ATOM 880 C LEU A 93 -24.254 2.470 -5.885 1.00 0.00 C ATOM 881 O LEU A 93 -23.824 2.695 -6.999 1.00 0.00 O ATOM 882 CB LEU A 93 -26.423 1.251 -5.651 1.00 0.00 C ATOM 883 CG LEU A 93 -27.062 -0.127 -5.468 1.00 0.00 C ATOM 884 CD1 LEU A 93 -28.555 -0.044 -5.793 1.00 0.00 C ATOM 885 CD2 LEU A 93 -26.390 -1.129 -6.410 1.00 0.00 C ATOM 0 H LEU A 93 -25.279 0.841 -3.458 1.00 0.00 H new ATOM 0 HA LEU A 93 -24.549 0.365 -6.234 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -26.799 1.941 -4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -26.695 1.663 -6.623 1.00 0.00 H new ATOM 0 HG LEU A 93 -26.932 -0.454 -4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -29.011 -1.026 -5.663 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -29.034 0.670 -5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -28.685 0.282 -6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -26.844 -2.111 -6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -26.520 -0.802 -7.442 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -25.326 -1.188 -6.180 1.00 0.00 H new ATOM 897 N ASN A 94 -24.182 3.366 -4.939 1.00 0.00 N ATOM 898 CA ASN A 94 -23.562 4.692 -5.214 1.00 0.00 C ATOM 899 C ASN A 94 -22.069 4.509 -5.493 1.00 0.00 C ATOM 900 O ASN A 94 -21.356 3.890 -4.728 1.00 0.00 O ATOM 901 CB ASN A 94 -23.745 5.603 -3.999 1.00 0.00 C ATOM 902 CG ASN A 94 -23.072 6.951 -4.266 1.00 0.00 C ATOM 903 OD1 ASN A 94 -22.015 7.231 -3.736 1.00 0.00 O ATOM 904 ND2 ASN A 94 -23.644 7.804 -5.072 1.00 0.00 N ATOM 0 H ASN A 94 -24.526 3.237 -3.987 1.00 0.00 H new ATOM 0 HA ASN A 94 -24.042 5.144 -6.082 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -24.806 5.748 -3.796 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -23.312 5.137 -3.114 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -23.204 8.705 -5.257 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -24.531 7.569 -5.517 1.00 0.00 H new ATOM 911 N GLY A 95 -21.590 5.041 -6.584 1.00 0.00 N ATOM 912 CA GLY A 95 -20.143 4.896 -6.911 1.00 0.00 C ATOM 913 C GLY A 95 -19.919 3.578 -7.656 1.00 0.00 C ATOM 914 O GLY A 95 -18.955 2.877 -7.419 1.00 0.00 O ATOM 0 H GLY A 95 -22.138 5.570 -7.263 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -19.812 5.734 -7.525 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.549 4.915 -5.997 1.00 0.00 H new ATOM 918 N THR A 96 -20.800 3.236 -8.555 1.00 0.00 N ATOM 919 CA THR A 96 -20.636 1.965 -9.314 1.00 0.00 C ATOM 920 C THR A 96 -20.796 2.239 -10.810 1.00 0.00 C ATOM 921 O THR A 96 -21.295 3.272 -11.211 1.00 0.00 O ATOM 922 CB THR A 96 -21.701 0.961 -8.864 1.00 0.00 C ATOM 923 OG1 THR A 96 -22.990 1.469 -9.178 1.00 0.00 O ATOM 924 CG2 THR A 96 -21.591 0.739 -7.355 1.00 0.00 C ATOM 0 H THR A 96 -21.627 3.782 -8.797 1.00 0.00 H new ATOM 0 HA THR A 96 -19.644 1.554 -9.124 1.00 0.00 H new ATOM 0 HB THR A 96 -21.548 0.013 -9.379 1.00 0.00 H new ATOM 0 HG1 THR A 96 -23.234 2.165 -8.532 1.00 0.00 H new ATOM 0 HG21 THR A 96 -22.350 0.024 -7.036 1.00 0.00 H new ATOM 0 HG22 THR A 96 -20.602 0.349 -7.116 1.00 0.00 H new ATOM 0 HG23 THR A 96 -21.743 1.685 -6.836 1.00 0.00 H new ATOM 932 N GLN A 97 -20.378 1.323 -11.640 1.00 0.00 N ATOM 933 CA GLN A 97 -20.508 1.533 -13.109 1.00 0.00 C ATOM 934 C GLN A 97 -21.069 0.267 -13.759 1.00 0.00 C ATOM 935 O GLN A 97 -20.965 -0.818 -13.222 1.00 0.00 O ATOM 936 CB GLN A 97 -19.134 1.846 -13.705 1.00 0.00 C ATOM 937 CG GLN A 97 -19.311 2.472 -15.090 1.00 0.00 C ATOM 938 CD GLN A 97 -17.939 2.706 -15.726 1.00 0.00 C ATOM 939 OE1 GLN A 97 -16.935 2.720 -15.042 1.00 0.00 O ATOM 940 NE2 GLN A 97 -17.854 2.891 -17.015 1.00 0.00 N ATOM 0 H GLN A 97 -19.952 0.438 -11.364 1.00 0.00 H new ATOM 0 HA GLN A 97 -21.184 2.368 -13.297 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -18.589 2.528 -13.052 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -18.541 0.934 -13.779 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -19.909 1.817 -15.723 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -19.851 3.415 -15.008 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -18.697 2.879 -17.589 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.944 3.047 -17.449 1.00 0.00 H new ATOM 949 N VAL A 98 -21.663 0.398 -14.913 1.00 0.00 N ATOM 950 CA VAL A 98 -22.232 -0.797 -15.602 1.00 0.00 C ATOM 951 C VAL A 98 -21.293 -1.218 -16.731 1.00 0.00 C ATOM 952 O VAL A 98 -20.141 -0.834 -16.768 1.00 0.00 O ATOM 953 CB VAL A 98 -23.609 -0.464 -16.196 1.00 0.00 C ATOM 954 CG1 VAL A 98 -24.600 -1.570 -15.830 1.00 0.00 C ATOM 955 CG2 VAL A 98 -24.116 0.874 -15.649 1.00 0.00 C ATOM 0 H VAL A 98 -21.780 1.281 -15.410 1.00 0.00 H new ATOM 0 HA VAL A 98 -22.341 -1.605 -14.879 1.00 0.00 H new ATOM 0 HB VAL A 98 -23.518 -0.391 -17.280 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -25.578 -1.336 -16.250 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -24.250 -2.520 -16.233 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -24.679 -1.643 -14.745 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -25.093 1.096 -16.079 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -24.202 0.814 -14.564 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -23.414 1.665 -15.914 1.00 0.00 H new ATOM 965 N GLU A 99 -21.777 -1.997 -17.659 1.00 0.00 N ATOM 966 CA GLU A 99 -20.909 -2.428 -18.789 1.00 0.00 C ATOM 967 C GLU A 99 -20.319 -1.187 -19.459 1.00 0.00 C ATOM 968 O GLU A 99 -19.319 -1.254 -20.147 1.00 0.00 O ATOM 969 CB GLU A 99 -21.742 -3.214 -19.804 1.00 0.00 C ATOM 970 CG GLU A 99 -22.277 -4.487 -19.145 1.00 0.00 C ATOM 971 CD GLU A 99 -23.056 -5.307 -20.176 1.00 0.00 C ATOM 972 OE1 GLU A 99 -23.292 -4.793 -21.257 1.00 0.00 O ATOM 973 OE2 GLU A 99 -23.402 -6.435 -19.867 1.00 0.00 O ATOM 0 H GLU A 99 -22.733 -2.352 -17.683 1.00 0.00 H new ATOM 0 HA GLU A 99 -20.106 -3.065 -18.418 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -22.569 -2.602 -20.164 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -21.133 -3.469 -20.671 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -21.452 -5.076 -18.744 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -22.923 -4.231 -18.305 1.00 0.00 H new ATOM 980 N SER A 100 -20.932 -0.052 -19.257 1.00 0.00 N ATOM 981 CA SER A 100 -20.412 1.200 -19.873 1.00 0.00 C ATOM 982 C SER A 100 -21.315 2.373 -19.485 1.00 0.00 C ATOM 983 O SER A 100 -21.541 3.279 -20.263 1.00 0.00 O ATOM 984 CB SER A 100 -20.390 1.052 -21.395 1.00 0.00 C ATOM 985 OG SER A 100 -19.275 1.755 -21.923 1.00 0.00 O ATOM 0 H SER A 100 -21.773 0.061 -18.690 1.00 0.00 H new ATOM 0 HA SER A 100 -19.400 1.387 -19.514 1.00 0.00 H new ATOM 0 HB2 SER A 100 -20.331 -0.002 -21.668 1.00 0.00 H new ATOM 0 HB3 SER A 100 -21.314 1.441 -21.822 1.00 0.00 H new ATOM 0 HG SER A 100 -19.260 1.659 -22.898 1.00 0.00 H new ATOM 991 N VAL A 101 -21.834 2.364 -18.287 1.00 0.00 N ATOM 992 CA VAL A 101 -22.721 3.477 -17.849 1.00 0.00 C ATOM 993 C VAL A 101 -22.488 3.756 -16.362 1.00 0.00 C ATOM 994 O VAL A 101 -21.868 2.977 -15.664 1.00 0.00 O ATOM 995 CB VAL A 101 -24.181 3.075 -18.076 1.00 0.00 C ATOM 996 CG1 VAL A 101 -25.105 4.022 -17.305 1.00 0.00 C ATOM 997 CG2 VAL A 101 -24.504 3.155 -19.570 1.00 0.00 C ATOM 0 H VAL A 101 -21.681 1.633 -17.593 1.00 0.00 H new ATOM 0 HA VAL A 101 -22.498 4.376 -18.424 1.00 0.00 H new ATOM 0 HB VAL A 101 -24.333 2.055 -17.722 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -26.143 3.732 -17.470 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -24.877 3.966 -16.241 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -24.954 5.043 -17.655 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -25.543 2.869 -19.733 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -24.349 4.175 -19.922 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -23.851 2.478 -20.120 1.00 0.00 H new ATOM 1007 N GLN A 102 -22.981 4.860 -15.871 1.00 0.00 N ATOM 1008 CA GLN A 102 -22.788 5.187 -14.430 1.00 0.00 C ATOM 1009 C GLN A 102 -24.142 5.511 -13.794 1.00 0.00 C ATOM 1010 O GLN A 102 -24.920 6.278 -14.325 1.00 0.00 O ATOM 1011 CB GLN A 102 -21.860 6.396 -14.300 1.00 0.00 C ATOM 1012 CG GLN A 102 -20.480 6.043 -14.857 1.00 0.00 C ATOM 1013 CD GLN A 102 -19.537 7.234 -14.676 1.00 0.00 C ATOM 1014 OE1 GLN A 102 -19.977 8.341 -14.438 1.00 0.00 O ATOM 1015 NE2 GLN A 102 -18.249 7.052 -14.779 1.00 0.00 N ATOM 0 H GLN A 102 -23.509 5.550 -16.406 1.00 0.00 H new ATOM 0 HA GLN A 102 -22.343 4.332 -13.921 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -22.275 7.246 -14.841 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -21.777 6.693 -13.255 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -20.081 5.168 -14.343 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -20.558 5.784 -15.913 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -17.880 6.122 -14.979 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -17.612 7.839 -14.660 1.00 0.00 H new ATOM 1024 N LEU A 103 -24.430 4.931 -12.661 1.00 0.00 N ATOM 1025 CA LEU A 103 -25.733 5.206 -11.993 1.00 0.00 C ATOM 1026 C LEU A 103 -25.509 6.141 -10.803 1.00 0.00 C ATOM 1027 O LEU A 103 -24.414 6.256 -10.289 1.00 0.00 O ATOM 1028 CB LEU A 103 -26.340 3.891 -11.499 1.00 0.00 C ATOM 1029 CG LEU A 103 -27.842 4.075 -11.272 1.00 0.00 C ATOM 1030 CD1 LEU A 103 -28.599 2.900 -11.894 1.00 0.00 C ATOM 1031 CD2 LEU A 103 -28.128 4.128 -9.770 1.00 0.00 C ATOM 0 H LEU A 103 -23.819 4.279 -12.169 1.00 0.00 H new ATOM 0 HA LEU A 103 -26.413 5.677 -12.703 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -26.166 3.101 -12.229 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -25.857 3.581 -10.573 1.00 0.00 H new ATOM 0 HG LEU A 103 -28.169 5.005 -11.737 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -29.669 3.030 -11.733 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -28.395 2.862 -12.964 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -28.273 1.970 -11.429 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -29.198 4.259 -9.608 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -27.802 3.198 -9.304 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -27.589 4.965 -9.326 1.00 0.00 H new ATOM 1043 N LYS A 104 -26.538 6.811 -10.360 1.00 0.00 N ATOM 1044 CA LYS A 104 -26.383 7.737 -9.203 1.00 0.00 C ATOM 1045 C LYS A 104 -27.519 7.501 -8.206 1.00 0.00 C ATOM 1046 O LYS A 104 -28.677 7.443 -8.571 1.00 0.00 O ATOM 1047 CB LYS A 104 -26.429 9.184 -9.698 1.00 0.00 C ATOM 1048 CG LYS A 104 -25.211 9.458 -10.582 1.00 0.00 C ATOM 1049 CD LYS A 104 -25.253 10.907 -11.073 1.00 0.00 C ATOM 1050 CE LYS A 104 -24.173 11.116 -12.136 1.00 0.00 C ATOM 1051 NZ LYS A 104 -23.048 11.901 -11.554 1.00 0.00 N ATOM 0 H LYS A 104 -27.479 6.757 -10.750 1.00 0.00 H new ATOM 0 HA LYS A 104 -25.427 7.552 -8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -27.347 9.359 -10.260 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -26.439 9.870 -8.851 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -24.294 9.279 -10.021 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -25.204 8.775 -11.431 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -26.235 11.134 -11.488 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -25.094 11.590 -10.238 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -23.811 10.153 -12.496 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -24.590 11.641 -12.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -22.314 12.043 -12.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -23.400 12.825 -11.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -22.644 11.383 -10.747 1.00 0.00 H new ATOM 1065 N VAL A 105 -27.199 7.361 -6.948 1.00 0.00 N ATOM 1066 CA VAL A 105 -28.261 7.127 -5.930 1.00 0.00 C ATOM 1067 C VAL A 105 -28.412 8.370 -5.051 1.00 0.00 C ATOM 1068 O VAL A 105 -27.444 8.928 -4.575 1.00 0.00 O ATOM 1069 CB VAL A 105 -27.875 5.931 -5.057 1.00 0.00 C ATOM 1070 CG1 VAL A 105 -28.984 5.664 -4.037 1.00 0.00 C ATOM 1071 CG2 VAL A 105 -27.686 4.696 -5.940 1.00 0.00 C ATOM 0 H VAL A 105 -26.248 7.399 -6.582 1.00 0.00 H new ATOM 0 HA VAL A 105 -29.206 6.922 -6.433 1.00 0.00 H new ATOM 0 HB VAL A 105 -26.945 6.149 -4.533 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -28.709 4.812 -3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -29.119 6.544 -3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -29.915 5.446 -4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -27.411 3.843 -5.319 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -28.616 4.478 -6.464 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -26.896 4.886 -6.666 1.00 0.00 H new ATOM 1081 N ASN A 106 -29.622 8.806 -4.831 1.00 0.00 N ATOM 1082 CA ASN A 106 -29.837 10.011 -3.981 1.00 0.00 C ATOM 1083 C ASN A 106 -30.992 9.747 -3.012 1.00 0.00 C ATOM 1084 O ASN A 106 -31.649 8.727 -3.079 1.00 0.00 O ATOM 1085 CB ASN A 106 -30.179 11.208 -4.870 1.00 0.00 C ATOM 1086 CG ASN A 106 -28.960 11.578 -5.719 1.00 0.00 C ATOM 1087 OD1 ASN A 106 -27.855 11.163 -5.430 1.00 0.00 O ATOM 1088 ND2 ASN A 106 -29.117 12.345 -6.762 1.00 0.00 N ATOM 0 H ASN A 106 -30.471 8.380 -5.203 1.00 0.00 H new ATOM 0 HA ASN A 106 -28.930 10.227 -3.417 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -31.024 10.966 -5.514 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -30.479 12.057 -4.256 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -28.312 12.597 -7.336 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -30.045 12.693 -7.004 1.00 0.00 H new ATOM 1095 N ILE A 107 -31.244 10.657 -2.111 1.00 0.00 N ATOM 1096 CA ILE A 107 -32.356 10.453 -1.139 1.00 0.00 C ATOM 1097 C ILE A 107 -33.494 11.427 -1.452 1.00 0.00 C ATOM 1098 O ILE A 107 -33.279 12.608 -1.641 1.00 0.00 O ATOM 1099 CB ILE A 107 -31.844 10.706 0.280 1.00 0.00 C ATOM 1100 CG1 ILE A 107 -30.601 9.852 0.536 1.00 0.00 C ATOM 1101 CG2 ILE A 107 -32.934 10.335 1.288 1.00 0.00 C ATOM 1102 CD1 ILE A 107 -30.877 8.410 0.105 1.00 0.00 C ATOM 0 H ILE A 107 -30.729 11.531 -2.006 1.00 0.00 H new ATOM 0 HA ILE A 107 -32.723 9.430 -1.217 1.00 0.00 H new ATOM 0 HB ILE A 107 -31.588 11.760 0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -29.751 10.252 -0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -30.336 9.883 1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -32.570 10.515 2.300 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -33.820 10.944 1.107 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -33.190 9.281 1.176 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -29.992 7.800 0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -31.715 8.013 0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -31.121 8.388 -0.957 1.00 0.00 H new ATOM 1114 N ALA A 108 -34.704 10.942 -1.506 1.00 0.00 N ATOM 1115 CA ALA A 108 -35.854 11.841 -1.804 1.00 0.00 C ATOM 1116 C ALA A 108 -35.879 12.988 -0.792 1.00 0.00 C ATOM 1117 O ALA A 108 -35.576 12.808 0.371 1.00 0.00 O ATOM 1118 CB ALA A 108 -37.160 11.049 -1.710 1.00 0.00 C ATOM 0 H ALA A 108 -34.946 9.962 -1.357 1.00 0.00 H new ATOM 0 HA ALA A 108 -35.747 12.246 -2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -38.001 11.707 -1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -37.142 10.232 -2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -37.268 10.643 -0.704 1.00 0.00 H new ATOM 1124 N ARG A 109 -36.236 14.166 -1.224 1.00 0.00 N ATOM 1125 CA ARG A 109 -36.277 15.322 -0.285 1.00 0.00 C ATOM 1126 C ARG A 109 -37.493 15.191 0.634 1.00 0.00 C ATOM 1127 O ARG A 109 -38.551 14.758 0.223 1.00 0.00 O ATOM 1128 CB ARG A 109 -36.378 16.624 -1.083 1.00 0.00 C ATOM 1129 CG ARG A 109 -35.122 16.793 -1.940 1.00 0.00 C ATOM 1130 CD ARG A 109 -35.174 18.140 -2.662 1.00 0.00 C ATOM 1131 NE ARG A 109 -36.425 18.223 -3.467 1.00 0.00 N ATOM 1132 CZ ARG A 109 -36.664 19.280 -4.194 1.00 0.00 C ATOM 1133 NH1 ARG A 109 -36.440 20.471 -3.708 1.00 0.00 N ATOM 1134 NH2 ARG A 109 -37.128 19.147 -5.407 1.00 0.00 N ATOM 0 H ARG A 109 -36.501 14.378 -2.186 1.00 0.00 H new ATOM 0 HA ARG A 109 -35.368 15.334 0.316 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -37.265 16.607 -1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -36.486 17.471 -0.406 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -34.232 16.738 -1.314 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -35.052 15.982 -2.665 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -35.140 18.954 -1.938 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -34.304 18.252 -3.309 1.00 0.00 H new ATOM 0 HE ARG A 109 -37.095 17.454 -3.450 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -36.078 20.575 -2.760 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -36.627 21.297 -4.276 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -37.304 18.217 -5.787 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -37.315 19.973 -5.975 1.00 0.00 H new ATOM 1148 N LYS A 110 -37.351 15.562 1.878 1.00 0.00 N ATOM 1149 CA LYS A 110 -38.498 15.458 2.823 1.00 0.00 C ATOM 1150 C LYS A 110 -39.660 16.314 2.313 1.00 0.00 C ATOM 1151 O LYS A 110 -40.809 15.930 2.398 1.00 0.00 O ATOM 1152 CB LYS A 110 -38.066 15.956 4.204 1.00 0.00 C ATOM 1153 CG LYS A 110 -39.208 15.747 5.201 1.00 0.00 C ATOM 1154 CD LYS A 110 -38.802 16.308 6.565 1.00 0.00 C ATOM 1155 CE LYS A 110 -39.877 15.962 7.599 1.00 0.00 C ATOM 1156 NZ LYS A 110 -41.154 16.636 7.231 1.00 0.00 N ATOM 0 H LYS A 110 -36.490 15.933 2.280 1.00 0.00 H new ATOM 0 HA LYS A 110 -38.817 14.418 2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -37.177 15.419 4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -37.800 17.012 4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -40.111 16.244 4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -39.441 14.686 5.287 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -37.842 15.892 6.870 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -38.676 17.389 6.503 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -40.022 14.883 7.642 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -39.558 16.280 8.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -41.803 16.617 8.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -40.961 17.623 6.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -41.590 16.139 6.428 1.00 0.00 H new ATOM 1170 N GLN A 111 -39.370 17.472 1.785 1.00 0.00 N ATOM 1171 CA GLN A 111 -40.459 18.349 1.271 1.00 0.00 C ATOM 1172 C GLN A 111 -41.005 17.774 -0.037 1.00 0.00 C ATOM 1173 O GLN A 111 -40.262 17.308 -0.878 1.00 0.00 O ATOM 1174 CB GLN A 111 -39.906 19.754 1.019 1.00 0.00 C ATOM 1175 CG GLN A 111 -40.971 20.792 1.376 1.00 0.00 C ATOM 1176 CD GLN A 111 -40.293 22.057 1.906 1.00 0.00 C ATOM 1177 OE1 GLN A 111 -40.859 22.774 2.706 1.00 0.00 O ATOM 1178 NE2 GLN A 111 -39.095 22.363 1.489 1.00 0.00 N ATOM 0 H GLN A 111 -38.427 17.848 1.688 1.00 0.00 H new ATOM 0 HA GLN A 111 -41.261 18.400 2.007 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -39.009 19.916 1.617 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -39.615 19.860 -0.026 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -41.572 21.029 0.498 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -41.650 20.388 2.127 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -38.620 21.761 0.817 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -38.634 23.204 1.835 1.00 0.00 H new ATOM 1187 N PRO A 112 -42.335 17.809 -0.205 1.00 0.00 N ATOM 1188 CA PRO A 112 -42.996 17.292 -1.410 1.00 0.00 C ATOM 1189 C PRO A 112 -42.723 18.175 -2.631 1.00 0.00 C ATOM 1190 O PRO A 112 -42.626 19.381 -2.528 1.00 0.00 O ATOM 1191 CB PRO A 112 -44.481 17.341 -1.052 1.00 0.00 C ATOM 1192 CG PRO A 112 -44.583 18.404 -0.010 1.00 0.00 C ATOM 1193 CD PRO A 112 -43.297 18.356 0.767 1.00 0.00 C ATOM 0 HA PRO A 112 -42.640 16.297 -1.677 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -45.091 17.580 -1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -44.829 16.380 -0.673 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -44.726 19.384 -0.466 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -45.438 18.229 0.642 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -43.000 19.345 1.114 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -43.383 17.721 1.649 1.00 0.00 H new ATOM 1201 N MET A 113 -42.600 17.582 -3.787 1.00 0.00 N ATOM 1202 CA MET A 113 -42.334 18.387 -5.013 1.00 0.00 C ATOM 1203 C MET A 113 -43.412 19.463 -5.160 1.00 0.00 C ATOM 1204 O MET A 113 -44.227 19.662 -4.281 1.00 0.00 O ATOM 1205 CB MET A 113 -42.356 17.472 -6.239 1.00 0.00 C ATOM 1206 CG MET A 113 -41.214 16.459 -6.140 1.00 0.00 C ATOM 1207 SD MET A 113 -41.117 15.507 -7.676 1.00 0.00 S ATOM 1208 CE MET A 113 -42.783 14.803 -7.611 1.00 0.00 C ATOM 0 H MET A 113 -42.672 16.575 -3.936 1.00 0.00 H new ATOM 0 HA MET A 113 -41.356 18.861 -4.931 1.00 0.00 H new ATOM 0 HB2 MET A 113 -43.312 16.953 -6.301 1.00 0.00 H new ATOM 0 HB3 MET A 113 -42.254 18.063 -7.149 1.00 0.00 H new ATOM 0 HG2 MET A 113 -40.271 16.975 -5.959 1.00 0.00 H new ATOM 0 HG3 MET A 113 -41.379 15.790 -5.295 1.00 0.00 H new ATOM 0 HE1 MET A 113 -42.790 13.838 -8.117 1.00 0.00 H new ATOM 0 HE2 MET A 113 -43.081 14.670 -6.571 1.00 0.00 H new ATOM 0 HE3 MET A 113 -43.482 15.477 -8.106 1.00 0.00 H new TER 1218 MET A 113