USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 811 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 89 THR OG1 : rot 133:sc= 0.867 USER MOD Set 1.2: A 91 ASN : amide:sc= 0.77 K(o=1.6,f=1.1) USER MOD Set 2.1: A 19 MET CE :methyl 177:sc= 0 (180deg=0) USER MOD Set 2.2: A 90 MET CE :methyl -114:sc= -0.499 (180deg=-3.34!) USER MOD Set 3.1: A 11 CYS SG : rot 179:sc= -0.122 USER MOD Set 3.2: A 60 GLN : amide:sc= 0.212 K(o=1.5,f=-0.13) USER MOD Set 3.3: A 87 TYR OH : rot 107:sc= 1.43 USER MOD Set 4.1: A 6 ASN :FLIP amide:sc= 0.401 F(o=-0.86,f=1.2) USER MOD Set 4.2: A 36 THR OG1 : rot 154:sc= 0.845 USER MOD Single : A 4 SER OG : rot -34:sc= 0.0573 USER MOD Single : A 5 MET CE :methyl -112:sc= -1.19 (180deg=-4.8!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0179) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc=-0.00131 X(o=-0.0013,f=0.44) USER MOD Single : A 34 ASN : amide:sc=-0.00737 K(o=-0.0074,f=-1.6) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0444 USER MOD Single : A 46 SER OG : rot 170:sc= 0 USER MOD Single : A 61 SER OG : rot -163:sc= -0.995 USER MOD Single : A 64 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.21) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0231) USER MOD Single : A 72 THR OG1 : rot 16:sc= -0.128 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.0385 X(o=-0.039,f=-0.3) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0091 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.58 X(o=-0.58,f=-0.39) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N SER A 4 7.829 -13.170 -4.053 1.00 52.43 N ATOM 30 CA SER A 4 7.747 -11.975 -3.221 1.00 4.20 C ATOM 31 C SER A 4 6.519 -11.145 -3.581 1.00 44.21 C ATOM 32 O SER A 4 6.014 -11.218 -4.701 1.00 12.34 O ATOM 33 CB SER A 4 9.012 -11.130 -3.380 1.00 2.34 C ATOM 34 OG SER A 4 9.190 -10.725 -4.726 1.00 10.34 O ATOM 0 HA SER A 4 7.658 -12.291 -2.182 1.00 4.20 H new ATOM 0 HB2 SER A 4 8.949 -10.251 -2.738 1.00 2.34 H new ATOM 0 HB3 SER A 4 9.879 -11.703 -3.052 1.00 2.34 H new ATOM 0 HG SER A 4 8.863 -11.428 -5.325 1.00 10.34 H new ATOM 40 N MET A 5 6.044 -10.356 -2.623 1.00 71.25 N ATOM 41 CA MET A 5 4.875 -9.510 -2.839 1.00 23.44 C ATOM 42 C MET A 5 5.245 -8.035 -2.724 1.00 54.05 C ATOM 43 O MET A 5 5.479 -7.527 -1.629 1.00 1.11 O ATOM 44 CB MET A 5 3.778 -9.854 -1.830 1.00 4.11 C ATOM 45 CG MET A 5 2.587 -8.911 -1.884 1.00 72.35 C ATOM 46 SD MET A 5 1.350 -9.283 -0.626 1.00 14.31 S ATOM 47 CE MET A 5 2.318 -9.092 0.868 1.00 45.33 C ATOM 0 H MET A 5 6.450 -10.284 -1.690 1.00 71.25 H new ATOM 0 HA MET A 5 4.502 -9.695 -3.846 1.00 23.44 H new ATOM 0 HB2 MET A 5 3.434 -10.872 -2.012 1.00 4.11 H new ATOM 0 HB3 MET A 5 4.201 -9.836 -0.825 1.00 4.11 H new ATOM 0 HG2 MET A 5 2.934 -7.886 -1.755 1.00 72.35 H new ATOM 0 HG3 MET A 5 2.126 -8.970 -2.870 1.00 72.35 H new ATOM 0 HE1 MET A 5 2.445 -10.063 1.346 1.00 45.33 H new ATOM 0 HE2 MET A 5 3.296 -8.680 0.618 1.00 45.33 H new ATOM 0 HE3 MET A 5 1.803 -8.416 1.551 1.00 45.33 H new ATOM 57 N ASN A 6 5.292 -7.352 -3.864 1.00 1.12 N ATOM 58 CA ASN A 6 5.633 -5.934 -3.892 1.00 11.33 C ATOM 59 C ASN A 6 4.396 -5.072 -3.657 1.00 23.02 C ATOM 60 O ASN A 6 3.482 -5.044 -4.481 1.00 54.22 O ATOM 61 CB ASN A 6 6.276 -5.568 -5.231 1.00 32.44 C ATOM 62 CG ASN A 6 7.456 -6.459 -5.568 1.00 50.20 C ATOM 63 OD1 ASN A 6 8.663 -5.935 -5.390 1.00 65.02 O flip ATOM 64 ND2 ASN A 6 7.283 -7.605 -5.983 1.00 72.11 N flip ATOM 0 H ASN A 6 5.098 -7.757 -4.780 1.00 1.12 H new ATOM 0 HA ASN A 6 6.346 -5.742 -3.090 1.00 11.33 H new ATOM 0 HB2 ASN A 6 5.530 -5.643 -6.022 1.00 32.44 H new ATOM 0 HB3 ASN A 6 6.605 -4.529 -5.201 1.00 32.44 H new ATOM 0 HD21 ASN A 6 6.337 -7.966 -6.104 1.00 72.11 H new ATOM 0 HD22 ASN A 6 8.086 -8.194 -6.205 1.00 72.11 H new ATOM 71 N ILE A 7 4.375 -4.372 -2.527 1.00 73.35 N ATOM 72 CA ILE A 7 3.251 -3.509 -2.185 1.00 43.10 C ATOM 73 C ILE A 7 3.469 -2.092 -2.703 1.00 45.12 C ATOM 74 O ILE A 7 4.594 -1.589 -2.716 1.00 64.45 O ATOM 75 CB ILE A 7 3.025 -3.458 -0.663 1.00 11.24 C ATOM 76 CG1 ILE A 7 2.808 -4.867 -0.109 1.00 32.31 C ATOM 77 CG2 ILE A 7 1.837 -2.564 -0.334 1.00 24.43 C ATOM 78 CD1 ILE A 7 3.948 -5.360 0.755 1.00 11.20 C ATOM 0 H ILE A 7 5.123 -4.386 -1.834 1.00 73.35 H new ATOM 0 HA ILE A 7 2.368 -3.935 -2.662 1.00 43.10 H new ATOM 0 HB ILE A 7 3.914 -3.037 -0.193 1.00 11.24 H new ATOM 0 HG12 ILE A 7 1.888 -4.881 0.475 1.00 32.31 H new ATOM 0 HG13 ILE A 7 2.668 -5.558 -0.940 1.00 32.31 H new ATOM 0 HG21 ILE A 7 1.689 -2.538 0.746 1.00 24.43 H new ATOM 0 HG22 ILE A 7 2.029 -1.555 -0.699 1.00 24.43 H new ATOM 0 HG23 ILE A 7 0.941 -2.959 -0.813 1.00 24.43 H new ATOM 0 HD11 ILE A 7 3.725 -6.365 1.113 1.00 11.20 H new ATOM 0 HD12 ILE A 7 4.867 -5.379 0.169 1.00 11.20 H new ATOM 0 HD13 ILE A 7 4.074 -4.692 1.607 1.00 11.20 H new ATOM 90 N LEU A 8 2.386 -1.451 -3.129 1.00 45.13 N ATOM 91 CA LEU A 8 2.458 -0.089 -3.647 1.00 72.35 C ATOM 92 C LEU A 8 1.853 0.902 -2.658 1.00 43.14 C ATOM 93 O LEU A 8 0.746 0.699 -2.158 1.00 62.13 O ATOM 94 CB LEU A 8 1.732 0.006 -4.991 1.00 33.42 C ATOM 95 CG LEU A 8 2.190 1.125 -5.925 1.00 12.11 C ATOM 96 CD1 LEU A 8 1.897 2.485 -5.311 1.00 55.23 C ATOM 97 CD2 LEU A 8 3.674 0.987 -6.235 1.00 12.34 C ATOM 0 H LEU A 8 1.448 -1.852 -3.126 1.00 45.13 H new ATOM 0 HA LEU A 8 3.509 0.164 -3.790 1.00 72.35 H new ATOM 0 HB2 LEU A 8 1.848 -0.945 -5.512 1.00 33.42 H new ATOM 0 HB3 LEU A 8 0.667 0.135 -4.797 1.00 33.42 H new ATOM 0 HG LEU A 8 1.635 1.043 -6.859 1.00 12.11 H new ATOM 0 HD11 LEU A 8 2.230 3.270 -5.990 1.00 55.23 H new ATOM 0 HD12 LEU A 8 0.825 2.584 -5.140 1.00 55.23 H new ATOM 0 HD13 LEU A 8 2.426 2.577 -4.362 1.00 55.23 H new ATOM 0 HD21 LEU A 8 3.983 1.792 -6.901 1.00 12.34 H new ATOM 0 HD22 LEU A 8 4.246 1.043 -5.309 1.00 12.34 H new ATOM 0 HD23 LEU A 8 3.857 0.027 -6.717 1.00 12.34 H new ATOM 109 N LEU A 9 2.585 1.976 -2.384 1.00 11.52 N ATOM 110 CA LEU A 9 2.119 3.002 -1.456 1.00 41.21 C ATOM 111 C LEU A 9 1.980 4.349 -2.159 1.00 24.35 C ATOM 112 O LEU A 9 2.816 4.719 -2.984 1.00 52.52 O ATOM 113 CB LEU A 9 3.085 3.126 -0.277 1.00 31.04 C ATOM 114 CG LEU A 9 2.614 4.001 0.886 1.00 23.50 C ATOM 115 CD1 LEU A 9 2.779 5.474 0.548 1.00 44.14 C ATOM 116 CD2 LEU A 9 1.166 3.691 1.235 1.00 42.25 C ATOM 0 H LEU A 9 3.502 2.160 -2.790 1.00 11.52 H new ATOM 0 HA LEU A 9 1.138 2.704 -1.085 1.00 41.21 H new ATOM 0 HB2 LEU A 9 3.290 2.126 0.106 1.00 31.04 H new ATOM 0 HB3 LEU A 9 4.029 3.525 -0.647 1.00 31.04 H new ATOM 0 HG LEU A 9 3.232 3.778 1.756 1.00 23.50 H new ATOM 0 HD11 LEU A 9 2.439 6.080 1.387 1.00 44.14 H new ATOM 0 HD12 LEU A 9 3.830 5.686 0.349 1.00 44.14 H new ATOM 0 HD13 LEU A 9 2.187 5.713 -0.336 1.00 44.14 H new ATOM 0 HD21 LEU A 9 0.848 4.323 2.064 1.00 42.25 H new ATOM 0 HD22 LEU A 9 0.534 3.884 0.369 1.00 42.25 H new ATOM 0 HD23 LEU A 9 1.077 2.643 1.522 1.00 42.25 H new ATOM 128 N VAL A 10 0.921 5.079 -1.824 1.00 60.42 N ATOM 129 CA VAL A 10 0.675 6.386 -2.420 1.00 60.05 C ATOM 130 C VAL A 10 0.568 7.466 -1.350 1.00 1.41 C ATOM 131 O VAL A 10 -0.291 7.401 -0.471 1.00 50.10 O ATOM 132 CB VAL A 10 -0.615 6.385 -3.264 1.00 24.00 C ATOM 133 CG1 VAL A 10 -0.753 7.692 -4.029 1.00 60.11 C ATOM 134 CG2 VAL A 10 -0.628 5.197 -4.214 1.00 1.12 C ATOM 0 H VAL A 10 0.220 4.787 -1.143 1.00 60.42 H new ATOM 0 HA VAL A 10 1.524 6.603 -3.068 1.00 60.05 H new ATOM 0 HB VAL A 10 -1.469 6.293 -2.593 1.00 24.00 H new ATOM 0 HG11 VAL A 10 -1.669 7.673 -4.619 1.00 60.11 H new ATOM 0 HG12 VAL A 10 -0.792 8.523 -3.325 1.00 60.11 H new ATOM 0 HG13 VAL A 10 0.103 7.818 -4.692 1.00 60.11 H new ATOM 0 HG21 VAL A 10 -1.546 5.212 -4.802 1.00 1.12 H new ATOM 0 HG22 VAL A 10 0.232 5.255 -4.881 1.00 1.12 H new ATOM 0 HG23 VAL A 10 -0.580 4.272 -3.640 1.00 1.12 H new ATOM 144 N CYS A 11 1.446 8.461 -1.431 1.00 53.30 N ATOM 145 CA CYS A 11 1.450 9.557 -0.469 1.00 43.13 C ATOM 146 C CYS A 11 2.456 10.630 -0.873 1.00 4.13 C ATOM 147 O CYS A 11 2.204 11.823 -0.711 1.00 44.34 O ATOM 148 CB CYS A 11 1.778 9.033 0.930 1.00 23.14 C ATOM 149 SG CYS A 11 1.976 10.329 2.175 1.00 21.24 S ATOM 0 H CYS A 11 2.163 8.531 -2.153 1.00 53.30 H new ATOM 0 HA CYS A 11 0.455 10.003 -0.458 1.00 43.13 H new ATOM 0 HB2 CYS A 11 0.985 8.356 1.248 1.00 23.14 H new ATOM 0 HB3 CYS A 11 2.696 8.447 0.881 1.00 23.14 H new ATOM 0 HG CYS A 11 2.219 9.787 3.331 1.00 21.24 H new ATOM 232 N MET A 19 8.714 7.315 7.157 1.00 2.12 N ATOM 233 CA MET A 19 8.509 6.642 8.434 1.00 33.34 C ATOM 234 C MET A 19 7.812 5.300 8.235 1.00 24.32 C ATOM 235 O MET A 19 8.251 4.276 8.761 1.00 24.15 O ATOM 236 CB MET A 19 7.685 7.523 9.374 1.00 51.41 C ATOM 237 CG MET A 19 8.512 8.562 10.115 1.00 62.43 C ATOM 238 SD MET A 19 7.920 10.243 9.844 1.00 63.24 S ATOM 239 CE MET A 19 7.669 10.790 11.530 1.00 2.32 C ATOM 0 HA MET A 19 9.486 6.462 8.882 1.00 33.34 H new ATOM 0 HB2 MET A 19 6.911 8.030 8.798 1.00 51.41 H new ATOM 0 HB3 MET A 19 7.177 6.889 10.101 1.00 51.41 H new ATOM 0 HG2 MET A 19 8.493 8.342 11.182 1.00 62.43 H new ATOM 0 HG3 MET A 19 9.551 8.491 9.793 1.00 62.43 H new ATOM 0 HE1 MET A 19 7.353 11.833 11.531 1.00 2.32 H new ATOM 0 HE2 MET A 19 6.900 10.178 12.000 1.00 2.32 H new ATOM 0 HE3 MET A 19 8.601 10.693 12.087 1.00 2.32 H new ATOM 249 N LEU A 20 6.724 5.311 7.474 1.00 71.40 N ATOM 250 CA LEU A 20 5.966 4.093 7.206 1.00 53.42 C ATOM 251 C LEU A 20 6.877 2.988 6.683 1.00 34.31 C ATOM 252 O LEU A 20 6.926 1.892 7.243 1.00 3.22 O ATOM 253 CB LEU A 20 4.853 4.375 6.194 1.00 62.35 C ATOM 254 CG LEU A 20 3.559 4.957 6.764 1.00 41.25 C ATOM 255 CD1 LEU A 20 2.646 5.426 5.641 1.00 51.21 C ATOM 256 CD2 LEU A 20 2.851 3.932 7.637 1.00 63.33 C ATOM 0 H LEU A 20 6.346 6.149 7.031 1.00 71.40 H new ATOM 0 HA LEU A 20 5.521 3.757 8.143 1.00 53.42 H new ATOM 0 HB2 LEU A 20 5.238 5.065 5.443 1.00 62.35 H new ATOM 0 HB3 LEU A 20 4.613 3.445 5.679 1.00 62.35 H new ATOM 0 HG LEU A 20 3.812 5.818 7.383 1.00 41.25 H new ATOM 0 HD11 LEU A 20 1.730 5.837 6.065 1.00 51.21 H new ATOM 0 HD12 LEU A 20 3.153 6.194 5.057 1.00 51.21 H new ATOM 0 HD13 LEU A 20 2.401 4.583 4.995 1.00 51.21 H new ATOM 0 HD21 LEU A 20 1.932 4.364 8.034 1.00 63.33 H new ATOM 0 HD22 LEU A 20 2.610 3.051 7.042 1.00 63.33 H new ATOM 0 HD23 LEU A 20 3.503 3.645 8.462 1.00 63.33 H new ATOM 268 N VAL A 21 7.599 3.283 5.607 1.00 72.10 N ATOM 269 CA VAL A 21 8.512 2.315 5.009 1.00 11.02 C ATOM 270 C VAL A 21 9.541 1.832 6.025 1.00 33.21 C ATOM 271 O VAL A 21 9.909 0.657 6.038 1.00 11.43 O ATOM 272 CB VAL A 21 9.247 2.913 3.795 1.00 63.22 C ATOM 273 CG1 VAL A 21 10.181 1.883 3.177 1.00 41.31 C ATOM 274 CG2 VAL A 21 8.249 3.424 2.767 1.00 31.31 C ATOM 0 H VAL A 21 7.570 4.185 5.131 1.00 72.10 H new ATOM 0 HA VAL A 21 7.907 1.471 4.678 1.00 11.02 H new ATOM 0 HB VAL A 21 9.848 3.757 4.135 1.00 63.22 H new ATOM 0 HG11 VAL A 21 10.692 2.323 2.321 1.00 41.31 H new ATOM 0 HG12 VAL A 21 10.917 1.569 3.917 1.00 41.31 H new ATOM 0 HG13 VAL A 21 9.604 1.018 2.850 1.00 41.31 H new ATOM 0 HG21 VAL A 21 8.786 3.843 1.916 1.00 31.31 H new ATOM 0 HG22 VAL A 21 7.620 2.600 2.429 1.00 31.31 H new ATOM 0 HG23 VAL A 21 7.625 4.195 3.218 1.00 31.31 H new ATOM 284 N GLN A 22 10.001 2.745 6.874 1.00 30.34 N ATOM 285 CA GLN A 22 10.988 2.411 7.894 1.00 44.14 C ATOM 286 C GLN A 22 10.457 1.332 8.832 1.00 25.24 C ATOM 287 O GLN A 22 11.014 0.237 8.913 1.00 74.51 O ATOM 288 CB GLN A 22 11.368 3.658 8.694 1.00 71.51 C ATOM 289 CG GLN A 22 12.623 4.348 8.183 1.00 1.34 C ATOM 290 CD GLN A 22 12.971 5.589 8.982 1.00 45.34 C ATOM 291 OE1 GLN A 22 12.368 6.647 8.801 1.00 13.34 O ATOM 292 NE2 GLN A 22 13.950 5.466 9.871 1.00 1.32 N ATOM 0 H GLN A 22 9.706 3.721 6.876 1.00 30.34 H new ATOM 0 HA GLN A 22 11.876 2.026 7.393 1.00 44.14 H new ATOM 0 HB2 GLN A 22 10.538 4.364 8.667 1.00 71.51 H new ATOM 0 HB3 GLN A 22 11.515 3.379 9.737 1.00 71.51 H new ATOM 0 HG2 GLN A 22 13.459 3.649 8.221 1.00 1.34 H new ATOM 0 HG3 GLN A 22 12.483 4.621 7.137 1.00 1.34 H new ATOM 0 HE21 GLN A 22 14.423 4.570 9.988 1.00 1.32 H new ATOM 0 HE22 GLN A 22 14.229 6.268 10.437 1.00 1.32 H new ATOM 301 N ARG A 23 9.379 1.651 9.542 1.00 61.30 N ATOM 302 CA ARG A 23 8.775 0.709 10.477 1.00 40.23 C ATOM 303 C ARG A 23 8.456 -0.615 9.786 1.00 10.42 C ATOM 304 O ARG A 23 8.886 -1.678 10.234 1.00 4.21 O ATOM 305 CB ARG A 23 7.499 1.303 11.078 1.00 24.13 C ATOM 306 CG ARG A 23 7.711 2.652 11.745 1.00 62.45 C ATOM 307 CD ARG A 23 7.758 2.524 13.259 1.00 4.43 C ATOM 308 NE ARG A 23 9.011 1.931 13.719 1.00 13.05 N ATOM 309 CZ ARG A 23 9.234 1.569 14.979 1.00 60.02 C ATOM 310 NH1 ARG A 23 8.293 1.740 15.897 1.00 71.32 N ATOM 311 NH2 ARG A 23 10.400 1.035 15.320 1.00 54.42 N ATOM 0 H ARG A 23 8.907 2.553 9.488 1.00 61.30 H new ATOM 0 HA ARG A 23 9.491 0.518 11.276 1.00 40.23 H new ATOM 0 HB2 ARG A 23 6.752 1.410 10.291 1.00 24.13 H new ATOM 0 HB3 ARG A 23 7.093 0.605 11.810 1.00 24.13 H new ATOM 0 HG2 ARG A 23 8.641 3.094 11.387 1.00 62.45 H new ATOM 0 HG3 ARG A 23 6.906 3.330 11.461 1.00 62.45 H new ATOM 0 HD2 ARG A 23 7.636 3.509 13.710 1.00 4.43 H new ATOM 0 HD3 ARG A 23 6.922 1.912 13.597 1.00 4.43 H new ATOM 0 HE ARG A 23 9.755 1.787 13.037 1.00 13.05 H new ATOM 0 HH11 ARG A 23 7.396 2.150 15.637 1.00 71.32 H new ATOM 0 HH12 ARG A 23 8.466 1.462 16.863 1.00 71.32 H new ATOM 0 HH21 ARG A 23 11.126 0.902 14.616 1.00 54.42 H new ATOM 0 HH22 ARG A 23 10.571 0.757 16.287 1.00 54.42 H new ATOM 325 N ILE A 24 7.701 -0.539 8.696 1.00 23.10 N ATOM 326 CA ILE A 24 7.326 -1.730 7.944 1.00 24.41 C ATOM 327 C ILE A 24 8.554 -2.555 7.573 1.00 54.03 C ATOM 328 O ILE A 24 8.569 -3.774 7.740 1.00 32.42 O ATOM 329 CB ILE A 24 6.558 -1.367 6.660 1.00 35.43 C ATOM 330 CG1 ILE A 24 5.299 -0.568 7.002 1.00 32.12 C ATOM 331 CG2 ILE A 24 6.198 -2.626 5.884 1.00 42.35 C ATOM 332 CD1 ILE A 24 4.733 0.201 5.828 1.00 71.33 C ATOM 0 H ILE A 24 7.337 0.334 8.314 1.00 23.10 H new ATOM 0 HA ILE A 24 6.677 -2.320 8.591 1.00 24.41 H new ATOM 0 HB ILE A 24 7.200 -0.748 6.033 1.00 35.43 H new ATOM 0 HG12 ILE A 24 4.537 -1.250 7.380 1.00 32.12 H new ATOM 0 HG13 ILE A 24 5.529 0.131 7.806 1.00 32.12 H new ATOM 0 HG21 ILE A 24 5.655 -2.353 4.979 1.00 42.35 H new ATOM 0 HG22 ILE A 24 7.109 -3.160 5.614 1.00 42.35 H new ATOM 0 HG23 ILE A 24 5.571 -3.268 6.503 1.00 42.35 H new ATOM 0 HD11 ILE A 24 3.842 0.744 6.144 1.00 71.33 H new ATOM 0 HD12 ILE A 24 5.478 0.908 5.463 1.00 71.33 H new ATOM 0 HD13 ILE A 24 4.471 -0.494 5.030 1.00 71.33 H new ATOM 344 N GLU A 25 9.583 -1.881 7.068 1.00 53.05 N ATOM 345 CA GLU A 25 10.815 -2.552 6.674 1.00 61.02 C ATOM 346 C GLU A 25 11.441 -3.281 7.859 1.00 64.42 C ATOM 347 O GLU A 25 11.935 -4.401 7.724 1.00 41.20 O ATOM 348 CB GLU A 25 11.811 -1.542 6.099 1.00 4.44 C ATOM 349 CG GLU A 25 11.593 -1.243 4.625 1.00 33.20 C ATOM 350 CD GLU A 25 11.946 -2.417 3.734 1.00 62.24 C ATOM 351 OE1 GLU A 25 12.639 -3.339 4.213 1.00 2.13 O ATOM 352 OE2 GLU A 25 11.531 -2.415 2.556 1.00 53.22 O ATOM 0 H GLU A 25 9.587 -0.871 6.922 1.00 53.05 H new ATOM 0 HA GLU A 25 10.569 -3.286 5.907 1.00 61.02 H new ATOM 0 HB2 GLU A 25 11.740 -0.613 6.664 1.00 4.44 H new ATOM 0 HB3 GLU A 25 12.823 -1.923 6.238 1.00 4.44 H new ATOM 0 HG2 GLU A 25 10.550 -0.970 4.464 1.00 33.20 H new ATOM 0 HG3 GLU A 25 12.196 -0.381 4.340 1.00 33.20 H new ATOM 359 N LYS A 26 11.417 -2.639 9.021 1.00 12.22 N ATOM 360 CA LYS A 26 11.979 -3.224 10.232 1.00 2.22 C ATOM 361 C LYS A 26 11.237 -4.501 10.616 1.00 43.41 C ATOM 362 O LYS A 26 11.837 -5.569 10.729 1.00 63.44 O ATOM 363 CB LYS A 26 11.918 -2.220 11.385 1.00 22.10 C ATOM 364 CG LYS A 26 13.279 -1.689 11.802 1.00 44.24 C ATOM 365 CD LYS A 26 13.914 -2.560 12.872 1.00 44.51 C ATOM 366 CE LYS A 26 15.428 -2.603 12.731 1.00 71.44 C ATOM 367 NZ LYS A 26 16.106 -1.761 13.754 1.00 21.43 N ATOM 0 H LYS A 26 11.013 -1.711 9.150 1.00 12.22 H new ATOM 0 HA LYS A 26 13.021 -3.476 10.033 1.00 2.22 H new ATOM 0 HB2 LYS A 26 11.284 -1.382 11.093 1.00 22.10 H new ATOM 0 HB3 LYS A 26 11.444 -2.694 12.244 1.00 22.10 H new ATOM 0 HG2 LYS A 26 13.935 -1.643 10.932 1.00 44.24 H new ATOM 0 HG3 LYS A 26 13.174 -0.670 12.176 1.00 44.24 H new ATOM 0 HD2 LYS A 26 13.650 -2.177 13.858 1.00 44.51 H new ATOM 0 HD3 LYS A 26 13.513 -3.571 12.805 1.00 44.51 H new ATOM 0 HE2 LYS A 26 15.772 -3.633 12.823 1.00 71.44 H new ATOM 0 HE3 LYS A 26 15.709 -2.261 11.735 1.00 71.44 H new ATOM 0 HZ1 LYS A 26 17.136 -1.818 13.623 1.00 21.43 H new ATOM 0 HZ2 LYS A 26 15.798 -0.773 13.650 1.00 21.43 H new ATOM 0 HZ3 LYS A 26 15.858 -2.103 14.705 1.00 21.43 H new ATOM 381 N TYR A 27 9.929 -4.381 10.813 1.00 42.21 N ATOM 382 CA TYR A 27 9.104 -5.526 11.185 1.00 3.31 C ATOM 383 C TYR A 27 9.322 -6.689 10.222 1.00 21.41 C ATOM 384 O TYR A 27 9.621 -7.807 10.640 1.00 20.11 O ATOM 385 CB TYR A 27 7.626 -5.132 11.201 1.00 63.21 C ATOM 386 CG TYR A 27 6.692 -6.298 11.433 1.00 63.15 C ATOM 387 CD1 TYR A 27 6.203 -7.043 10.366 1.00 73.01 C ATOM 388 CD2 TYR A 27 6.298 -6.654 12.716 1.00 63.13 C ATOM 389 CE1 TYR A 27 5.348 -8.109 10.571 1.00 10.25 C ATOM 390 CE2 TYR A 27 5.445 -7.720 12.931 1.00 44.23 C ATOM 391 CZ TYR A 27 4.973 -8.444 11.855 1.00 3.44 C ATOM 392 OH TYR A 27 4.122 -9.504 12.066 1.00 24.32 O ATOM 0 H TYR A 27 9.417 -3.504 10.722 1.00 42.21 H new ATOM 0 HA TYR A 27 9.399 -5.845 12.185 1.00 3.31 H new ATOM 0 HB2 TYR A 27 7.465 -4.388 11.981 1.00 63.21 H new ATOM 0 HB3 TYR A 27 7.374 -4.659 10.252 1.00 63.21 H new ATOM 0 HD1 TYR A 27 6.496 -6.784 9.359 1.00 73.01 H new ATOM 0 HD2 TYR A 27 6.664 -6.088 13.560 1.00 63.13 H new ATOM 0 HE1 TYR A 27 4.976 -8.676 9.731 1.00 10.25 H new ATOM 0 HE2 TYR A 27 5.149 -7.985 13.935 1.00 44.23 H new ATOM 0 HH TYR A 27 3.959 -9.607 13.027 1.00 24.32 H new ATOM 402 N ALA A 28 9.171 -6.416 8.930 1.00 14.32 N ATOM 403 CA ALA A 28 9.352 -7.438 7.907 1.00 51.42 C ATOM 404 C ALA A 28 10.763 -8.014 7.951 1.00 41.21 C ATOM 405 O ALA A 28 10.950 -9.230 7.936 1.00 71.52 O ATOM 406 CB ALA A 28 9.057 -6.864 6.529 1.00 34.33 C ATOM 0 H ALA A 28 8.924 -5.495 8.567 1.00 14.32 H new ATOM 0 HA ALA A 28 8.650 -8.247 8.109 1.00 51.42 H new ATOM 0 HB1 ALA A 28 9.196 -7.639 5.775 1.00 34.33 H new ATOM 0 HB2 ALA A 28 8.028 -6.507 6.496 1.00 34.33 H new ATOM 0 HB3 ALA A 28 9.735 -6.035 6.327 1.00 34.33 H new ATOM 412 N LYS A 29 11.755 -7.132 8.006 1.00 24.23 N ATOM 413 CA LYS A 29 13.151 -7.552 8.053 1.00 43.11 C ATOM 414 C LYS A 29 13.417 -8.421 9.277 1.00 35.33 C ATOM 415 O LYS A 29 14.309 -9.270 9.267 1.00 40.42 O ATOM 416 CB LYS A 29 14.072 -6.330 8.073 1.00 4.43 C ATOM 417 CG LYS A 29 15.549 -6.682 8.088 1.00 24.11 C ATOM 418 CD LYS A 29 16.171 -6.421 9.451 1.00 72.43 C ATOM 419 CE LYS A 29 17.689 -6.389 9.373 1.00 24.23 C ATOM 420 NZ LYS A 29 18.189 -5.111 8.794 1.00 34.32 N ATOM 0 H LYS A 29 11.618 -6.121 8.019 1.00 24.23 H new ATOM 0 HA LYS A 29 13.357 -8.141 7.159 1.00 43.11 H new ATOM 0 HB2 LYS A 29 13.863 -5.714 7.199 1.00 4.43 H new ATOM 0 HB3 LYS A 29 13.842 -5.726 8.951 1.00 4.43 H new ATOM 0 HG2 LYS A 29 15.676 -7.732 7.824 1.00 24.11 H new ATOM 0 HG3 LYS A 29 16.071 -6.097 7.331 1.00 24.11 H new ATOM 0 HD2 LYS A 29 15.806 -5.472 9.843 1.00 72.43 H new ATOM 0 HD3 LYS A 29 15.858 -7.197 10.150 1.00 72.43 H new ATOM 0 HE2 LYS A 29 18.107 -6.523 10.371 1.00 24.23 H new ATOM 0 HE3 LYS A 29 18.039 -7.224 8.766 1.00 24.23 H new ATOM 0 HZ1 LYS A 29 19.226 -5.079 8.867 1.00 34.32 H new ATOM 0 HZ2 LYS A 29 17.910 -5.050 7.794 1.00 34.32 H new ATOM 0 HZ3 LYS A 29 17.781 -4.310 9.316 1.00 34.32 H new ATOM 434 N SER A 30 12.637 -8.206 10.332 1.00 72.40 N ATOM 435 CA SER A 30 12.789 -8.970 11.565 1.00 44.54 C ATOM 436 C SER A 30 12.048 -10.300 11.475 1.00 1.45 C ATOM 437 O SER A 30 12.566 -11.341 11.880 1.00 31.04 O ATOM 438 CB SER A 30 12.270 -8.162 12.757 1.00 71.14 C ATOM 439 OG SER A 30 12.547 -8.823 13.979 1.00 41.21 O ATOM 0 H SER A 30 11.893 -7.509 10.357 1.00 72.40 H new ATOM 0 HA SER A 30 13.850 -9.175 11.709 1.00 44.54 H new ATOM 0 HB2 SER A 30 12.733 -7.175 12.761 1.00 71.14 H new ATOM 0 HB3 SER A 30 11.195 -8.010 12.657 1.00 71.14 H new ATOM 0 HG SER A 30 12.207 -8.287 14.725 1.00 41.21 H new ATOM 445 N LYS A 31 10.832 -10.257 10.943 1.00 30.10 N ATOM 446 CA LYS A 31 10.017 -11.458 10.799 1.00 40.14 C ATOM 447 C LYS A 31 10.555 -12.349 9.683 1.00 73.32 C ATOM 448 O LYS A 31 10.211 -13.527 9.597 1.00 31.24 O ATOM 449 CB LYS A 31 8.562 -11.081 10.508 1.00 3.22 C ATOM 450 CG LYS A 31 7.756 -10.767 11.756 1.00 33.40 C ATOM 451 CD LYS A 31 7.579 -11.997 12.631 1.00 64.32 C ATOM 452 CE LYS A 31 8.017 -11.730 14.063 1.00 61.22 C ATOM 453 NZ LYS A 31 7.554 -12.798 14.993 1.00 41.30 N ATOM 0 H LYS A 31 10.388 -9.403 10.604 1.00 30.10 H new ATOM 0 HA LYS A 31 10.062 -12.012 11.737 1.00 40.14 H new ATOM 0 HB2 LYS A 31 8.545 -10.215 9.847 1.00 3.22 H new ATOM 0 HB3 LYS A 31 8.083 -11.901 9.972 1.00 3.22 H new ATOM 0 HG2 LYS A 31 8.256 -9.983 12.325 1.00 33.40 H new ATOM 0 HG3 LYS A 31 6.778 -10.379 11.470 1.00 33.40 H new ATOM 0 HD2 LYS A 31 6.533 -12.305 12.621 1.00 64.32 H new ATOM 0 HD3 LYS A 31 8.159 -12.824 12.220 1.00 64.32 H new ATOM 0 HE2 LYS A 31 9.104 -11.660 14.103 1.00 61.22 H new ATOM 0 HE3 LYS A 31 7.623 -10.768 14.390 1.00 61.22 H new ATOM 0 HZ1 LYS A 31 7.872 -12.580 15.959 1.00 41.30 H new ATOM 0 HZ2 LYS A 31 6.515 -12.849 14.974 1.00 41.30 H new ATOM 0 HZ3 LYS A 31 7.951 -13.713 14.696 1.00 41.30 H new ATOM 467 N ASN A 32 11.400 -11.777 8.832 1.00 71.54 N ATOM 468 CA ASN A 32 11.986 -12.521 7.721 1.00 10.25 C ATOM 469 C ASN A 32 10.908 -12.969 6.739 1.00 24.51 C ATOM 470 O ASN A 32 10.715 -14.165 6.518 1.00 32.10 O ATOM 471 CB ASN A 32 12.753 -13.738 8.244 1.00 45.34 C ATOM 472 CG ASN A 32 13.740 -14.278 7.227 1.00 23.00 C ATOM 473 OD1 ASN A 32 13.367 -15.008 6.310 1.00 52.33 O ATOM 474 ND2 ASN A 32 15.010 -13.920 7.388 1.00 60.23 N ATOM 0 H ASN A 32 11.695 -10.802 8.889 1.00 71.54 H new ATOM 0 HA ASN A 32 12.678 -11.861 7.198 1.00 10.25 H new ATOM 0 HB2 ASN A 32 13.286 -13.465 9.155 1.00 45.34 H new ATOM 0 HB3 ASN A 32 12.046 -14.523 8.512 1.00 45.34 H new ATOM 0 HD21 ASN A 32 15.720 -14.253 6.736 1.00 60.23 H new ATOM 0 HD22 ASN A 32 15.274 -13.312 8.164 1.00 60.23 H new ATOM 481 N ILE A 33 10.212 -12.002 6.153 1.00 73.34 N ATOM 482 CA ILE A 33 9.155 -12.298 5.192 1.00 51.21 C ATOM 483 C ILE A 33 9.562 -11.881 3.782 1.00 61.30 C ATOM 484 O ILE A 33 10.235 -10.870 3.593 1.00 5.33 O ATOM 485 CB ILE A 33 7.840 -11.588 5.565 1.00 44.53 C ATOM 486 CG1 ILE A 33 7.383 -12.016 6.961 1.00 1.33 C ATOM 487 CG2 ILE A 33 6.764 -11.890 4.533 1.00 10.33 C ATOM 488 CD1 ILE A 33 6.397 -11.058 7.594 1.00 61.31 C ATOM 0 H ILE A 33 10.360 -11.008 6.326 1.00 73.34 H new ATOM 0 HA ILE A 33 8.997 -13.376 5.219 1.00 51.21 H new ATOM 0 HB ILE A 33 8.014 -10.512 5.574 1.00 44.53 H new ATOM 0 HG12 ILE A 33 6.928 -13.004 6.898 1.00 1.33 H new ATOM 0 HG13 ILE A 33 8.255 -12.107 7.608 1.00 1.33 H new ATOM 0 HG21 ILE A 33 5.841 -11.381 4.810 1.00 10.33 H new ATOM 0 HG22 ILE A 33 7.091 -11.540 3.554 1.00 10.33 H new ATOM 0 HG23 ILE A 33 6.588 -12.965 4.494 1.00 10.33 H new ATOM 0 HD11 ILE A 33 6.117 -11.424 8.582 1.00 61.31 H new ATOM 0 HD12 ILE A 33 6.856 -10.074 7.689 1.00 61.31 H new ATOM 0 HD13 ILE A 33 5.508 -10.985 6.968 1.00 61.31 H new ATOM 500 N ASN A 34 9.146 -12.669 2.795 1.00 5.00 N ATOM 501 CA ASN A 34 9.467 -12.381 1.402 1.00 34.21 C ATOM 502 C ASN A 34 8.485 -11.372 0.816 1.00 74.22 C ATOM 503 O ASN A 34 7.525 -11.744 0.141 1.00 11.24 O ATOM 504 CB ASN A 34 9.445 -13.669 0.576 1.00 62.23 C ATOM 505 CG ASN A 34 10.562 -14.621 0.959 1.00 11.44 C ATOM 506 OD1 ASN A 34 11.292 -14.383 1.922 1.00 60.14 O ATOM 507 ND2 ASN A 34 10.700 -15.705 0.206 1.00 51.25 N ATOM 0 H ASN A 34 8.587 -13.511 2.934 1.00 5.00 H new ATOM 0 HA ASN A 34 10.468 -11.951 1.366 1.00 34.21 H new ATOM 0 HB2 ASN A 34 8.485 -14.167 0.710 1.00 62.23 H new ATOM 0 HB3 ASN A 34 9.530 -13.420 -0.482 1.00 62.23 H new ATOM 0 HD21 ASN A 34 11.434 -16.382 0.416 1.00 51.25 H new ATOM 0 HD22 ASN A 34 10.072 -15.862 -0.582 1.00 51.25 H new ATOM 514 N ALA A 35 8.734 -10.093 1.077 1.00 42.45 N ATOM 515 CA ALA A 35 7.874 -9.029 0.572 1.00 12.25 C ATOM 516 C ALA A 35 8.665 -7.745 0.345 1.00 14.05 C ATOM 517 O ALA A 35 9.795 -7.608 0.815 1.00 45.41 O ATOM 518 CB ALA A 35 6.724 -8.779 1.536 1.00 11.34 C ATOM 0 H ALA A 35 9.524 -9.768 1.635 1.00 42.45 H new ATOM 0 HA ALA A 35 7.467 -9.348 -0.387 1.00 12.25 H new ATOM 0 HB1 ALA A 35 6.090 -7.982 1.147 1.00 11.34 H new ATOM 0 HB2 ALA A 35 6.136 -9.690 1.645 1.00 11.34 H new ATOM 0 HB3 ALA A 35 7.121 -8.485 2.508 1.00 11.34 H new ATOM 524 N THR A 36 8.064 -6.805 -0.377 1.00 43.15 N ATOM 525 CA THR A 36 8.713 -5.533 -0.669 1.00 12.40 C ATOM 526 C THR A 36 7.716 -4.381 -0.613 1.00 71.24 C ATOM 527 O THR A 36 6.505 -4.593 -0.686 1.00 74.42 O ATOM 528 CB THR A 36 9.385 -5.549 -2.055 1.00 1.52 C ATOM 529 OG1 THR A 36 8.993 -6.723 -2.776 1.00 45.21 O ATOM 530 CG2 THR A 36 10.899 -5.511 -1.922 1.00 5.00 C ATOM 0 H THR A 36 7.128 -6.901 -0.771 1.00 43.15 H new ATOM 0 HA THR A 36 9.477 -5.386 0.095 1.00 12.40 H new ATOM 0 HB THR A 36 9.062 -4.663 -2.602 1.00 1.52 H new ATOM 0 HG1 THR A 36 9.060 -6.553 -3.739 1.00 45.21 H new ATOM 0 HG21 THR A 36 11.352 -5.523 -2.913 1.00 5.00 H new ATOM 0 HG22 THR A 36 11.196 -4.602 -1.399 1.00 5.00 H new ATOM 0 HG23 THR A 36 11.237 -6.381 -1.358 1.00 5.00 H new ATOM 538 N ILE A 37 8.231 -3.163 -0.484 1.00 65.41 N ATOM 539 CA ILE A 37 7.384 -1.979 -0.421 1.00 44.31 C ATOM 540 C ILE A 37 7.996 -0.823 -1.207 1.00 33.51 C ATOM 541 O ILE A 37 9.217 -0.711 -1.312 1.00 42.02 O ATOM 542 CB ILE A 37 7.153 -1.530 1.033 1.00 33.42 C ATOM 543 CG1 ILE A 37 6.083 -0.438 1.089 1.00 13.00 C ATOM 544 CG2 ILE A 37 8.453 -1.037 1.649 1.00 1.51 C ATOM 545 CD1 ILE A 37 5.112 -0.600 2.237 1.00 20.34 C ATOM 0 H ILE A 37 9.231 -2.971 -0.421 1.00 65.41 H new ATOM 0 HA ILE A 37 6.427 -2.251 -0.865 1.00 44.31 H new ATOM 0 HB ILE A 37 6.803 -2.386 1.610 1.00 33.42 H new ATOM 0 HG12 ILE A 37 6.571 0.533 1.171 1.00 13.00 H new ATOM 0 HG13 ILE A 37 5.527 -0.437 0.151 1.00 13.00 H new ATOM 0 HG21 ILE A 37 8.272 -0.723 2.677 1.00 1.51 H new ATOM 0 HG22 ILE A 37 9.188 -1.841 1.639 1.00 1.51 H new ATOM 0 HG23 ILE A 37 8.831 -0.192 1.073 1.00 1.51 H new ATOM 0 HD11 ILE A 37 4.382 0.209 2.213 1.00 20.34 H new ATOM 0 HD12 ILE A 37 4.596 -1.556 2.145 1.00 20.34 H new ATOM 0 HD13 ILE A 37 5.656 -0.570 3.181 1.00 20.34 H new ATOM 557 N GLU A 38 7.139 0.032 -1.753 1.00 41.42 N ATOM 558 CA GLU A 38 7.596 1.180 -2.528 1.00 72.31 C ATOM 559 C GLU A 38 6.531 2.273 -2.561 1.00 1.21 C ATOM 560 O GLU A 38 5.348 1.996 -2.757 1.00 31.22 O ATOM 561 CB GLU A 38 7.947 0.753 -3.956 1.00 21.34 C ATOM 562 CG GLU A 38 8.717 1.806 -4.734 1.00 23.22 C ATOM 563 CD GLU A 38 9.861 1.217 -5.538 1.00 55.13 C ATOM 564 OE1 GLU A 38 10.584 0.356 -4.997 1.00 31.35 O ATOM 565 OE2 GLU A 38 10.032 1.618 -6.708 1.00 14.41 O ATOM 0 H GLU A 38 6.125 -0.048 -1.674 1.00 41.42 H new ATOM 0 HA GLU A 38 8.488 1.579 -2.045 1.00 72.31 H new ATOM 0 HB2 GLU A 38 8.537 -0.162 -3.918 1.00 21.34 H new ATOM 0 HB3 GLU A 38 7.028 0.517 -4.492 1.00 21.34 H new ATOM 0 HG2 GLU A 38 8.035 2.326 -5.407 1.00 23.22 H new ATOM 0 HG3 GLU A 38 9.110 2.550 -4.041 1.00 23.22 H new ATOM 572 N ALA A 39 6.962 3.515 -2.367 1.00 31.01 N ATOM 573 CA ALA A 39 6.047 4.650 -2.376 1.00 75.20 C ATOM 574 C ALA A 39 6.310 5.558 -3.572 1.00 44.32 C ATOM 575 O ALA A 39 7.461 5.845 -3.905 1.00 2.23 O ATOM 576 CB ALA A 39 6.168 5.435 -1.078 1.00 12.22 C ATOM 0 H ALA A 39 7.938 3.761 -2.202 1.00 31.01 H new ATOM 0 HA ALA A 39 5.031 4.265 -2.462 1.00 75.20 H new ATOM 0 HB1 ALA A 39 5.479 6.280 -1.098 1.00 12.22 H new ATOM 0 HB2 ALA A 39 5.923 4.787 -0.237 1.00 12.22 H new ATOM 0 HB3 ALA A 39 7.189 5.802 -0.968 1.00 12.22 H new ATOM 582 N ILE A 40 5.238 6.008 -4.215 1.00 60.25 N ATOM 583 CA ILE A 40 5.354 6.883 -5.374 1.00 53.34 C ATOM 584 C ILE A 40 4.121 7.769 -5.519 1.00 42.45 C ATOM 585 O ILE A 40 3.200 7.707 -4.706 1.00 24.40 O ATOM 586 CB ILE A 40 5.548 6.078 -6.672 1.00 25.33 C ATOM 587 CG1 ILE A 40 4.520 4.949 -6.756 1.00 72.54 C ATOM 588 CG2 ILE A 40 6.963 5.519 -6.742 1.00 35.53 C ATOM 589 CD1 ILE A 40 3.938 4.762 -8.141 1.00 2.22 C ATOM 0 H ILE A 40 4.279 5.781 -3.952 1.00 60.25 H new ATOM 0 HA ILE A 40 6.232 7.508 -5.210 1.00 53.34 H new ATOM 0 HB ILE A 40 5.398 6.745 -7.521 1.00 25.33 H new ATOM 0 HG12 ILE A 40 4.989 4.017 -6.439 1.00 72.54 H new ATOM 0 HG13 ILE A 40 3.710 5.153 -6.055 1.00 72.54 H new ATOM 0 HG21 ILE A 40 7.085 4.952 -7.665 1.00 35.53 H new ATOM 0 HG22 ILE A 40 7.680 6.340 -6.723 1.00 35.53 H new ATOM 0 HG23 ILE A 40 7.138 4.864 -5.888 1.00 35.53 H new ATOM 0 HD11 ILE A 40 3.217 3.945 -8.125 1.00 2.22 H new ATOM 0 HD12 ILE A 40 3.440 5.680 -8.453 1.00 2.22 H new ATOM 0 HD13 ILE A 40 4.738 4.527 -8.843 1.00 2.22 H new ATOM 601 N ALA A 41 4.111 8.593 -6.563 1.00 13.52 N ATOM 602 CA ALA A 41 2.990 9.489 -6.817 1.00 44.41 C ATOM 603 C ALA A 41 1.868 8.768 -7.555 1.00 14.31 C ATOM 604 O ALA A 41 1.939 7.561 -7.786 1.00 42.11 O ATOM 605 CB ALA A 41 3.453 10.701 -7.612 1.00 12.33 C ATOM 0 H ALA A 41 4.866 8.658 -7.245 1.00 13.52 H new ATOM 0 HA ALA A 41 2.601 9.825 -5.856 1.00 44.41 H new ATOM 0 HB1 ALA A 41 2.606 11.362 -7.795 1.00 12.33 H new ATOM 0 HB2 ALA A 41 4.216 11.237 -7.047 1.00 12.33 H new ATOM 0 HB3 ALA A 41 3.870 10.374 -8.565 1.00 12.33 H new ATOM 611 N GLU A 42 0.831 9.515 -7.922 1.00 72.33 N ATOM 612 CA GLU A 42 -0.307 8.945 -8.633 1.00 71.30 C ATOM 613 C GLU A 42 -0.035 8.880 -10.134 1.00 15.15 C ATOM 614 O GLU A 42 -0.616 8.062 -10.848 1.00 34.35 O ATOM 615 CB GLU A 42 -1.568 9.770 -8.367 1.00 31.30 C ATOM 616 CG GLU A 42 -1.417 11.242 -8.714 1.00 73.44 C ATOM 617 CD GLU A 42 -2.206 11.633 -9.949 1.00 1.11 C ATOM 618 OE1 GLU A 42 -1.692 11.432 -11.069 1.00 74.14 O ATOM 619 OE2 GLU A 42 -3.336 12.141 -9.795 1.00 42.43 O ATOM 0 H GLU A 42 0.756 10.516 -7.739 1.00 72.33 H new ATOM 0 HA GLU A 42 -0.461 7.930 -8.265 1.00 71.30 H new ATOM 0 HB2 GLU A 42 -2.394 9.352 -8.943 1.00 31.30 H new ATOM 0 HB3 GLU A 42 -1.836 9.679 -7.314 1.00 31.30 H new ATOM 0 HG2 GLU A 42 -1.748 11.847 -7.869 1.00 73.44 H new ATOM 0 HG3 GLU A 42 -0.363 11.468 -8.874 1.00 73.44 H new ATOM 626 N THR A 43 0.852 9.750 -10.605 1.00 70.25 N ATOM 627 CA THR A 43 1.200 9.793 -12.021 1.00 5.04 C ATOM 628 C THR A 43 1.786 8.464 -12.484 1.00 35.12 C ATOM 629 O THR A 43 1.490 7.995 -13.583 1.00 71.13 O ATOM 630 CB THR A 43 2.212 10.917 -12.315 1.00 4.50 C ATOM 631 OG1 THR A 43 3.489 10.585 -11.758 1.00 42.24 O ATOM 632 CG2 THR A 43 1.733 12.242 -11.741 1.00 31.04 C ATOM 0 H THR A 43 1.342 10.434 -10.028 1.00 70.25 H new ATOM 0 HA THR A 43 0.278 9.990 -12.568 1.00 5.04 H new ATOM 0 HB THR A 43 2.302 11.019 -13.396 1.00 4.50 H new ATOM 0 HG1 THR A 43 4.127 11.304 -11.951 1.00 42.24 H new ATOM 0 HG21 THR A 43 2.464 13.020 -11.962 1.00 31.04 H new ATOM 0 HG22 THR A 43 0.775 12.507 -12.188 1.00 31.04 H new ATOM 0 HG23 THR A 43 1.616 12.150 -10.661 1.00 31.04 H new ATOM 640 N ARG A 44 2.616 7.861 -11.639 1.00 54.41 N ATOM 641 CA ARG A 44 3.242 6.585 -11.963 1.00 42.51 C ATOM 642 C ARG A 44 2.656 5.461 -11.116 1.00 21.24 C ATOM 643 O ARG A 44 3.248 4.387 -10.995 1.00 14.23 O ATOM 644 CB ARG A 44 4.754 6.667 -11.748 1.00 64.42 C ATOM 645 CG ARG A 44 5.149 7.323 -10.434 1.00 74.44 C ATOM 646 CD ARG A 44 6.659 7.385 -10.274 1.00 30.31 C ATOM 647 NE ARG A 44 7.049 7.867 -8.951 1.00 42.44 N ATOM 648 CZ ARG A 44 8.298 7.839 -8.498 1.00 20.44 C ATOM 649 NH1 ARG A 44 9.272 7.354 -9.256 1.00 12.12 N ATOM 650 NH2 ARG A 44 8.574 8.296 -7.283 1.00 71.31 N ATOM 0 H ARG A 44 2.870 8.236 -10.725 1.00 54.41 H new ATOM 0 HA ARG A 44 3.042 6.366 -13.012 1.00 42.51 H new ATOM 0 HB2 ARG A 44 5.172 5.661 -11.782 1.00 64.42 H new ATOM 0 HB3 ARG A 44 5.200 7.225 -12.571 1.00 64.42 H new ATOM 0 HG2 ARG A 44 4.736 8.331 -10.391 1.00 74.44 H new ATOM 0 HG3 ARG A 44 4.717 6.765 -9.603 1.00 74.44 H new ATOM 0 HD2 ARG A 44 7.082 6.394 -10.438 1.00 30.31 H new ATOM 0 HD3 ARG A 44 7.078 8.041 -11.037 1.00 30.31 H new ATOM 0 HE ARG A 44 6.323 8.245 -8.342 1.00 42.44 H new ATOM 0 HH11 ARG A 44 9.064 7.001 -10.190 1.00 12.12 H new ATOM 0 HH12 ARG A 44 10.230 7.334 -8.905 1.00 12.12 H new ATOM 0 HH21 ARG A 44 7.827 8.669 -6.697 1.00 71.31 H new ATOM 0 HH22 ARG A 44 9.533 8.274 -6.936 1.00 71.31 H new ATOM 664 N LEU A 45 1.492 5.715 -10.528 1.00 75.54 N ATOM 665 CA LEU A 45 0.826 4.724 -9.690 1.00 74.30 C ATOM 666 C LEU A 45 0.115 3.679 -10.544 1.00 32.41 C ATOM 667 O LEU A 45 0.368 2.480 -10.414 1.00 41.42 O ATOM 668 CB LEU A 45 -0.178 5.406 -8.760 1.00 2.42 C ATOM 669 CG LEU A 45 -1.224 4.496 -8.117 1.00 30.52 C ATOM 670 CD1 LEU A 45 -0.552 3.418 -7.281 1.00 12.53 C ATOM 671 CD2 LEU A 45 -2.189 5.309 -7.266 1.00 0.10 C ATOM 0 H LEU A 45 0.990 6.599 -10.616 1.00 75.54 H new ATOM 0 HA LEU A 45 1.585 4.222 -9.090 1.00 74.30 H new ATOM 0 HB2 LEU A 45 0.375 5.907 -7.966 1.00 2.42 H new ATOM 0 HB3 LEU A 45 -0.697 6.180 -9.324 1.00 2.42 H new ATOM 0 HG LEU A 45 -1.792 4.011 -8.911 1.00 30.52 H new ATOM 0 HD11 LEU A 45 -1.312 2.780 -6.831 1.00 12.53 H new ATOM 0 HD12 LEU A 45 0.097 2.816 -7.917 1.00 12.53 H new ATOM 0 HD13 LEU A 45 0.042 3.884 -6.495 1.00 12.53 H new ATOM 0 HD21 LEU A 45 -2.926 4.644 -6.816 1.00 0.10 H new ATOM 0 HD22 LEU A 45 -1.636 5.823 -6.479 1.00 0.10 H new ATOM 0 HD23 LEU A 45 -2.696 6.043 -7.892 1.00 0.10 H new ATOM 683 N SER A 46 -0.774 4.140 -11.418 1.00 33.22 N ATOM 684 CA SER A 46 -1.523 3.244 -12.292 1.00 52.22 C ATOM 685 C SER A 46 -0.622 2.671 -13.382 1.00 20.44 C ATOM 686 O SER A 46 -0.994 1.723 -14.073 1.00 43.20 O ATOM 687 CB SER A 46 -2.702 3.985 -12.927 1.00 4.12 C ATOM 688 OG SER A 46 -3.683 4.309 -11.956 1.00 64.21 O ATOM 0 H SER A 46 -0.993 5.129 -11.540 1.00 33.22 H new ATOM 0 HA SER A 46 -1.903 2.420 -11.688 1.00 52.22 H new ATOM 0 HB2 SER A 46 -2.347 4.896 -13.408 1.00 4.12 H new ATOM 0 HB3 SER A 46 -3.147 3.366 -13.706 1.00 4.12 H new ATOM 0 HG SER A 46 -4.344 4.917 -12.349 1.00 64.21 H new ATOM 694 N GLU A 47 0.564 3.253 -13.527 1.00 65.35 N ATOM 695 CA GLU A 47 1.517 2.800 -14.534 1.00 3.14 C ATOM 696 C GLU A 47 2.385 1.668 -13.990 1.00 72.14 C ATOM 697 O GLU A 47 2.913 0.857 -14.751 1.00 22.22 O ATOM 698 CB GLU A 47 2.403 3.963 -14.989 1.00 33.25 C ATOM 699 CG GLU A 47 1.659 5.017 -15.790 1.00 72.34 C ATOM 700 CD GLU A 47 1.173 4.498 -17.130 1.00 24.43 C ATOM 701 OE1 GLU A 47 1.827 3.591 -17.687 1.00 30.15 O ATOM 702 OE2 GLU A 47 0.140 4.998 -17.621 1.00 14.25 O ATOM 0 H GLU A 47 0.888 4.038 -12.961 1.00 65.35 H new ATOM 0 HA GLU A 47 0.954 2.425 -15.389 1.00 3.14 H new ATOM 0 HB2 GLU A 47 2.850 4.433 -14.113 1.00 33.25 H new ATOM 0 HB3 GLU A 47 3.222 3.571 -15.592 1.00 33.25 H new ATOM 0 HG2 GLU A 47 0.806 5.372 -15.212 1.00 72.34 H new ATOM 0 HG3 GLU A 47 2.313 5.873 -15.952 1.00 72.34 H new ATOM 709 N VAL A 48 2.528 1.621 -12.670 1.00 15.10 N ATOM 710 CA VAL A 48 3.329 0.589 -12.024 1.00 25.12 C ATOM 711 C VAL A 48 2.444 -0.453 -11.350 1.00 22.31 C ATOM 712 O VAL A 48 2.865 -1.588 -11.126 1.00 75.44 O ATOM 713 CB VAL A 48 4.281 1.194 -10.975 1.00 25.30 C ATOM 714 CG1 VAL A 48 5.159 2.266 -11.604 1.00 61.30 C ATOM 715 CG2 VAL A 48 3.493 1.758 -9.802 1.00 45.15 C ATOM 0 H VAL A 48 2.099 2.286 -12.027 1.00 15.10 H new ATOM 0 HA VAL A 48 3.918 0.109 -12.806 1.00 25.12 H new ATOM 0 HB VAL A 48 4.930 0.402 -10.600 1.00 25.30 H new ATOM 0 HG11 VAL A 48 5.825 2.681 -10.847 1.00 61.30 H new ATOM 0 HG12 VAL A 48 5.751 1.826 -12.406 1.00 61.30 H new ATOM 0 HG13 VAL A 48 4.531 3.059 -12.009 1.00 61.30 H new ATOM 0 HG21 VAL A 48 4.182 2.181 -9.071 1.00 45.15 H new ATOM 0 HG22 VAL A 48 2.818 2.536 -10.158 1.00 45.15 H new ATOM 0 HG23 VAL A 48 2.914 0.961 -9.336 1.00 45.15 H new ATOM 725 N VAL A 49 1.216 -0.060 -11.029 1.00 63.41 N ATOM 726 CA VAL A 49 0.269 -0.961 -10.382 1.00 64.10 C ATOM 727 C VAL A 49 0.152 -2.276 -11.145 1.00 50.23 C ATOM 728 O VAL A 49 -0.110 -3.325 -10.559 1.00 24.53 O ATOM 729 CB VAL A 49 -1.126 -0.321 -10.266 1.00 1.25 C ATOM 730 CG1 VAL A 49 -1.756 -0.160 -11.641 1.00 51.25 C ATOM 731 CG2 VAL A 49 -2.019 -1.150 -9.355 1.00 73.01 C ATOM 0 H VAL A 49 0.853 0.877 -11.206 1.00 63.41 H new ATOM 0 HA VAL A 49 0.654 -1.158 -9.381 1.00 64.10 H new ATOM 0 HB VAL A 49 -1.016 0.670 -9.825 1.00 1.25 H new ATOM 0 HG11 VAL A 49 -2.742 0.294 -11.539 1.00 51.25 H new ATOM 0 HG12 VAL A 49 -1.124 0.479 -12.258 1.00 51.25 H new ATOM 0 HG13 VAL A 49 -1.854 -1.138 -12.113 1.00 51.25 H new ATOM 0 HG21 VAL A 49 -3.001 -0.683 -9.285 1.00 73.01 H new ATOM 0 HG22 VAL A 49 -2.124 -2.155 -9.764 1.00 73.01 H new ATOM 0 HG23 VAL A 49 -1.573 -1.208 -8.362 1.00 73.01 H new ATOM 741 N ASP A 50 0.347 -2.210 -12.458 1.00 3.33 N ATOM 742 CA ASP A 50 0.264 -3.395 -13.304 1.00 23.12 C ATOM 743 C ASP A 50 1.312 -4.427 -12.897 1.00 43.31 C ATOM 744 O ASP A 50 1.069 -5.632 -12.961 1.00 43.32 O ATOM 745 CB ASP A 50 0.449 -3.013 -14.772 1.00 74.44 C ATOM 746 CG ASP A 50 -0.222 -3.994 -15.715 1.00 30.41 C ATOM 747 OD1 ASP A 50 -0.754 -5.015 -15.229 1.00 10.55 O ATOM 748 OD2 ASP A 50 -0.216 -3.741 -16.937 1.00 65.04 O ATOM 0 H ASP A 50 0.564 -1.348 -12.959 1.00 3.33 H new ATOM 0 HA ASP A 50 -0.724 -3.836 -13.174 1.00 23.12 H new ATOM 0 HB2 ASP A 50 0.041 -2.016 -14.939 1.00 74.44 H new ATOM 0 HB3 ASP A 50 1.514 -2.964 -15.000 1.00 74.44 H new ATOM 753 N ARG A 51 2.479 -3.944 -12.481 1.00 61.51 N ATOM 754 CA ARG A 51 3.564 -4.825 -12.066 1.00 44.23 C ATOM 755 C ARG A 51 3.459 -5.156 -10.581 1.00 73.32 C ATOM 756 O ARG A 51 3.611 -6.310 -10.179 1.00 72.14 O ATOM 757 CB ARG A 51 4.917 -4.174 -12.359 1.00 41.15 C ATOM 758 CG ARG A 51 5.060 -3.683 -13.791 1.00 14.24 C ATOM 759 CD ARG A 51 6.251 -4.324 -14.484 1.00 40.32 C ATOM 760 NE ARG A 51 6.426 -3.826 -15.846 1.00 60.55 N ATOM 761 CZ ARG A 51 6.987 -2.657 -16.135 1.00 11.22 C ATOM 762 NH1 ARG A 51 7.426 -1.870 -15.162 1.00 72.01 N ATOM 763 NH2 ARG A 51 7.110 -2.273 -17.399 1.00 61.44 N ATOM 0 H ARG A 51 2.697 -2.949 -12.423 1.00 61.51 H new ATOM 0 HA ARG A 51 3.483 -5.752 -12.634 1.00 44.23 H new ATOM 0 HB2 ARG A 51 5.061 -3.334 -11.680 1.00 41.15 H new ATOM 0 HB3 ARG A 51 5.709 -4.893 -12.149 1.00 41.15 H new ATOM 0 HG2 ARG A 51 4.150 -3.909 -14.347 1.00 14.24 H new ATOM 0 HG3 ARG A 51 5.175 -2.599 -13.795 1.00 14.24 H new ATOM 0 HD2 ARG A 51 7.155 -4.127 -13.907 1.00 40.32 H new ATOM 0 HD3 ARG A 51 6.117 -5.406 -14.508 1.00 40.32 H new ATOM 0 HE ARG A 51 6.100 -4.408 -16.618 1.00 60.55 H new ATOM 0 HH11 ARG A 51 7.333 -2.162 -14.189 1.00 72.01 H new ATOM 0 HH12 ARG A 51 7.856 -0.973 -15.387 1.00 72.01 H new ATOM 0 HH21 ARG A 51 6.774 -2.876 -18.150 1.00 61.44 H new ATOM 0 HH22 ARG A 51 7.541 -1.375 -17.620 1.00 61.44 H new ATOM 777 N PHE A 52 3.199 -4.137 -9.769 1.00 42.41 N ATOM 778 CA PHE A 52 3.075 -4.320 -8.328 1.00 44.12 C ATOM 779 C PHE A 52 1.936 -5.280 -7.997 1.00 44.51 C ATOM 780 O PHE A 52 1.267 -5.798 -8.892 1.00 42.50 O ATOM 781 CB PHE A 52 2.837 -2.973 -7.640 1.00 65.21 C ATOM 782 CG PHE A 52 4.101 -2.211 -7.362 1.00 5.33 C ATOM 783 CD1 PHE A 52 4.787 -2.392 -6.171 1.00 72.24 C ATOM 784 CD2 PHE A 52 4.605 -1.315 -8.291 1.00 22.32 C ATOM 785 CE1 PHE A 52 5.950 -1.691 -5.912 1.00 53.22 C ATOM 786 CE2 PHE A 52 5.768 -0.611 -8.037 1.00 70.54 C ATOM 787 CZ PHE A 52 6.442 -0.801 -6.847 1.00 34.42 C ATOM 0 H PHE A 52 3.070 -3.176 -10.085 1.00 42.41 H new ATOM 0 HA PHE A 52 4.007 -4.749 -7.960 1.00 44.12 H new ATOM 0 HB2 PHE A 52 2.185 -2.364 -8.267 1.00 65.21 H new ATOM 0 HB3 PHE A 52 2.310 -3.142 -6.701 1.00 65.21 H new ATOM 0 HD1 PHE A 52 4.409 -3.088 -5.437 1.00 72.24 H new ATOM 0 HD2 PHE A 52 4.083 -1.165 -9.225 1.00 22.32 H new ATOM 0 HE1 PHE A 52 6.474 -1.839 -4.979 1.00 53.22 H new ATOM 0 HE2 PHE A 52 6.149 0.086 -8.769 1.00 70.54 H new ATOM 0 HZ PHE A 52 7.352 -0.255 -6.648 1.00 34.42 H new ATOM 797 N ASP A 53 1.723 -5.513 -6.708 1.00 32.45 N ATOM 798 CA ASP A 53 0.666 -6.411 -6.257 1.00 34.12 C ATOM 799 C ASP A 53 -0.564 -5.624 -5.815 1.00 13.51 C ATOM 800 O ASP A 53 -1.571 -5.574 -6.522 1.00 62.45 O ATOM 801 CB ASP A 53 1.166 -7.287 -5.108 1.00 11.32 C ATOM 802 CG ASP A 53 1.607 -8.659 -5.576 1.00 60.50 C ATOM 803 OD1 ASP A 53 0.907 -9.249 -6.426 1.00 22.33 O ATOM 804 OD2 ASP A 53 2.651 -9.145 -5.091 1.00 53.05 O ATOM 0 H ASP A 53 2.268 -5.093 -5.956 1.00 32.45 H new ATOM 0 HA ASP A 53 0.385 -7.050 -7.094 1.00 34.12 H new ATOM 0 HB2 ASP A 53 2.000 -6.790 -4.612 1.00 11.32 H new ATOM 0 HB3 ASP A 53 0.374 -7.396 -4.367 1.00 11.32 H new ATOM 809 N VAL A 54 -0.476 -5.009 -4.639 1.00 45.04 N ATOM 810 CA VAL A 54 -1.580 -4.223 -4.102 1.00 75.45 C ATOM 811 C VAL A 54 -1.225 -2.742 -4.045 1.00 41.45 C ATOM 812 O VAL A 54 -0.068 -2.363 -4.222 1.00 4.14 O ATOM 813 CB VAL A 54 -1.974 -4.700 -2.692 1.00 14.43 C ATOM 814 CG1 VAL A 54 -2.338 -6.177 -2.709 1.00 51.52 C ATOM 815 CG2 VAL A 54 -0.848 -4.430 -1.705 1.00 62.33 C ATOM 0 H VAL A 54 0.349 -5.040 -4.040 1.00 45.04 H new ATOM 0 HA VAL A 54 -2.426 -4.364 -4.775 1.00 75.45 H new ATOM 0 HB VAL A 54 -2.851 -4.139 -2.369 1.00 14.43 H new ATOM 0 HG11 VAL A 54 -2.614 -6.495 -1.704 1.00 51.52 H new ATOM 0 HG12 VAL A 54 -3.179 -6.337 -3.384 1.00 51.52 H new ATOM 0 HG13 VAL A 54 -1.482 -6.759 -3.052 1.00 51.52 H new ATOM 0 HG21 VAL A 54 -1.143 -4.773 -0.713 1.00 62.33 H new ATOM 0 HG22 VAL A 54 0.049 -4.963 -2.021 1.00 62.33 H new ATOM 0 HG23 VAL A 54 -0.642 -3.360 -1.672 1.00 62.33 H new ATOM 825 N VAL A 55 -2.230 -1.907 -3.799 1.00 5.32 N ATOM 826 CA VAL A 55 -2.024 -0.465 -3.716 1.00 61.42 C ATOM 827 C VAL A 55 -2.604 0.100 -2.426 1.00 22.34 C ATOM 828 O VAL A 55 -3.618 -0.386 -1.923 1.00 14.21 O ATOM 829 CB VAL A 55 -2.662 0.262 -4.915 1.00 21.20 C ATOM 830 CG1 VAL A 55 -2.394 1.757 -4.836 1.00 73.54 C ATOM 831 CG2 VAL A 55 -2.143 -0.313 -6.224 1.00 61.34 C ATOM 0 H VAL A 55 -3.195 -2.204 -3.654 1.00 5.32 H new ATOM 0 HA VAL A 55 -0.947 -0.298 -3.730 1.00 61.42 H new ATOM 0 HB VAL A 55 -3.740 0.108 -4.880 1.00 21.20 H new ATOM 0 HG11 VAL A 55 -2.852 2.254 -5.691 1.00 73.54 H new ATOM 0 HG12 VAL A 55 -2.819 2.155 -3.914 1.00 73.54 H new ATOM 0 HG13 VAL A 55 -1.319 1.935 -4.846 1.00 73.54 H new ATOM 0 HG21 VAL A 55 -2.604 0.212 -7.060 1.00 61.34 H new ATOM 0 HG22 VAL A 55 -1.061 -0.191 -6.271 1.00 61.34 H new ATOM 0 HG23 VAL A 55 -2.392 -1.373 -6.280 1.00 61.34 H new ATOM 841 N LEU A 56 -1.955 1.129 -1.893 1.00 43.01 N ATOM 842 CA LEU A 56 -2.406 1.763 -0.659 1.00 31.23 C ATOM 843 C LEU A 56 -2.415 3.282 -0.799 1.00 23.43 C ATOM 844 O LEU A 56 -1.505 3.868 -1.386 1.00 60.24 O ATOM 845 CB LEU A 56 -1.506 1.352 0.508 1.00 1.20 C ATOM 846 CG LEU A 56 -1.969 0.141 1.319 1.00 14.42 C ATOM 847 CD1 LEU A 56 -0.826 -0.843 1.510 1.00 70.11 C ATOM 848 CD2 LEU A 56 -2.526 0.583 2.665 1.00 52.14 C ATOM 0 H LEU A 56 -1.114 1.542 -2.296 1.00 43.01 H new ATOM 0 HA LEU A 56 -3.424 1.429 -0.459 1.00 31.23 H new ATOM 0 HB2 LEU A 56 -0.510 1.143 0.117 1.00 1.20 H new ATOM 0 HB3 LEU A 56 -1.411 2.202 1.184 1.00 1.20 H new ATOM 0 HG LEU A 56 -2.763 -0.361 0.766 1.00 14.42 H new ATOM 0 HD11 LEU A 56 -1.175 -1.698 2.089 1.00 70.11 H new ATOM 0 HD12 LEU A 56 -0.473 -1.184 0.537 1.00 70.11 H new ATOM 0 HD13 LEU A 56 -0.010 -0.354 2.041 1.00 70.11 H new ATOM 0 HD21 LEU A 56 -2.851 -0.291 3.229 1.00 52.14 H new ATOM 0 HD22 LEU A 56 -1.752 1.109 3.224 1.00 52.14 H new ATOM 0 HD23 LEU A 56 -3.375 1.249 2.507 1.00 52.14 H new ATOM 860 N LEU A 57 -3.447 3.915 -0.252 1.00 53.10 N ATOM 861 CA LEU A 57 -3.574 5.367 -0.314 1.00 33.20 C ATOM 862 C LEU A 57 -3.391 5.988 1.067 1.00 0.34 C ATOM 863 O LEU A 57 -3.678 5.359 2.085 1.00 33.52 O ATOM 864 CB LEU A 57 -4.939 5.756 -0.884 1.00 64.33 C ATOM 865 CG LEU A 57 -4.921 6.731 -2.060 1.00 40.45 C ATOM 866 CD1 LEU A 57 -6.313 6.873 -2.658 1.00 60.53 C ATOM 867 CD2 LEU A 57 -4.388 8.088 -1.622 1.00 21.51 C ATOM 0 H LEU A 57 -4.208 3.446 0.239 1.00 53.10 H new ATOM 0 HA LEU A 57 -2.792 5.748 -0.971 1.00 33.20 H new ATOM 0 HB2 LEU A 57 -5.451 4.847 -1.199 1.00 64.33 H new ATOM 0 HB3 LEU A 57 -5.533 6.195 -0.083 1.00 64.33 H new ATOM 0 HG LEU A 57 -4.256 6.332 -2.826 1.00 40.45 H new ATOM 0 HD11 LEU A 57 -6.280 7.571 -3.494 1.00 60.53 H new ATOM 0 HD12 LEU A 57 -6.659 5.901 -3.010 1.00 60.53 H new ATOM 0 HD13 LEU A 57 -6.999 7.248 -1.898 1.00 60.53 H new ATOM 0 HD21 LEU A 57 -4.383 8.769 -2.473 1.00 21.51 H new ATOM 0 HD22 LEU A 57 -5.026 8.493 -0.837 1.00 21.51 H new ATOM 0 HD23 LEU A 57 -3.373 7.975 -1.242 1.00 21.51 H new ATOM 879 N ALA A 58 -2.914 7.229 1.095 1.00 73.31 N ATOM 880 CA ALA A 58 -2.699 7.936 2.350 1.00 45.42 C ATOM 881 C ALA A 58 -3.906 8.795 2.712 1.00 62.33 C ATOM 882 O ALA A 58 -4.737 9.128 1.866 1.00 4.11 O ATOM 883 CB ALA A 58 -1.445 8.795 2.263 1.00 55.25 C ATOM 0 H ALA A 58 -2.669 7.764 0.262 1.00 73.31 H new ATOM 0 HA ALA A 58 -2.566 7.194 3.137 1.00 45.42 H new ATOM 0 HB1 ALA A 58 -1.296 9.318 3.208 1.00 55.25 H new ATOM 0 HB2 ALA A 58 -0.583 8.160 2.060 1.00 55.25 H new ATOM 0 HB3 ALA A 58 -1.557 9.523 1.459 1.00 55.25 H new ATOM 889 N PRO A 59 -4.008 9.161 3.998 1.00 52.00 N ATOM 890 CA PRO A 59 -5.112 9.985 4.500 1.00 1.43 C ATOM 891 C PRO A 59 -5.039 11.422 3.995 1.00 42.31 C ATOM 892 O PRO A 59 -6.014 12.168 4.078 1.00 1.43 O ATOM 893 CB PRO A 59 -4.923 9.943 6.018 1.00 12.15 C ATOM 894 CG PRO A 59 -3.472 9.671 6.213 1.00 45.50 C ATOM 895 CD PRO A 59 -3.055 8.800 5.060 1.00 21.55 C ATOM 0 HA PRO A 59 -6.081 9.615 4.166 1.00 1.43 H new ATOM 0 HB2 PRO A 59 -5.214 10.887 6.479 1.00 12.15 H new ATOM 0 HB3 PRO A 59 -5.536 9.164 6.472 1.00 12.15 H new ATOM 0 HG2 PRO A 59 -2.900 10.599 6.228 1.00 45.50 H new ATOM 0 HG3 PRO A 59 -3.293 9.171 7.165 1.00 45.50 H new ATOM 0 HD2 PRO A 59 -2.026 8.996 4.760 1.00 21.55 H new ATOM 0 HD3 PRO A 59 -3.117 7.742 5.313 1.00 21.55 H new ATOM 903 N GLN A 60 -3.878 11.802 3.470 1.00 33.43 N ATOM 904 CA GLN A 60 -3.679 13.150 2.951 1.00 12.14 C ATOM 905 C GLN A 60 -3.952 13.202 1.451 1.00 41.21 C ATOM 906 O GLN A 60 -3.232 13.862 0.703 1.00 42.35 O ATOM 907 CB GLN A 60 -2.255 13.626 3.240 1.00 72.01 C ATOM 908 CG GLN A 60 -1.188 12.844 2.489 1.00 53.24 C ATOM 909 CD GLN A 60 0.165 12.903 3.168 1.00 20.42 C ATOM 910 OE1 GLN A 60 0.424 12.172 4.125 1.00 4.23 O ATOM 911 NE2 GLN A 60 1.038 13.774 2.677 1.00 41.21 N ATOM 0 H GLN A 60 -3.062 11.195 3.393 1.00 33.43 H new ATOM 0 HA GLN A 60 -4.384 13.813 3.453 1.00 12.14 H new ATOM 0 HB2 GLN A 60 -2.173 14.681 2.978 1.00 72.01 H new ATOM 0 HB3 GLN A 60 -2.065 13.548 4.310 1.00 72.01 H new ATOM 0 HG2 GLN A 60 -1.501 11.804 2.400 1.00 53.24 H new ATOM 0 HG3 GLN A 60 -1.100 13.238 1.476 1.00 53.24 H new ATOM 0 HE21 GLN A 60 0.782 14.360 1.883 1.00 41.21 H new ATOM 0 HE22 GLN A 60 1.965 13.857 3.094 1.00 41.21 H new ATOM 920 N SER A 61 -4.995 12.500 1.019 1.00 1.52 N ATOM 921 CA SER A 61 -5.359 12.463 -0.392 1.00 33.21 C ATOM 922 C SER A 61 -6.654 13.230 -0.639 1.00 55.01 C ATOM 923 O SER A 61 -7.696 12.914 -0.063 1.00 70.33 O ATOM 924 CB SER A 61 -5.513 11.015 -0.863 1.00 3.23 C ATOM 925 OG SER A 61 -6.574 10.892 -1.794 1.00 70.02 O ATOM 0 H SER A 61 -5.602 11.949 1.626 1.00 1.52 H new ATOM 0 HA SER A 61 -4.560 12.940 -0.960 1.00 33.21 H new ATOM 0 HB2 SER A 61 -4.583 10.677 -1.320 1.00 3.23 H new ATOM 0 HB3 SER A 61 -5.700 10.368 -0.006 1.00 3.23 H new ATOM 0 HG SER A 61 -6.830 9.950 -1.875 1.00 70.02 H new ATOM 931 N ARG A 62 -6.582 14.241 -1.499 1.00 44.11 N ATOM 932 CA ARG A 62 -7.747 15.055 -1.822 1.00 2.24 C ATOM 933 C ARG A 62 -8.487 14.489 -3.030 1.00 13.11 C ATOM 934 O ARG A 62 -9.624 14.028 -2.915 1.00 64.21 O ATOM 935 CB ARG A 62 -7.326 16.500 -2.099 1.00 21.54 C ATOM 936 CG ARG A 62 -7.868 17.496 -1.087 1.00 51.11 C ATOM 937 CD ARG A 62 -7.446 18.917 -1.424 1.00 3.54 C ATOM 938 NE ARG A 62 -6.850 19.597 -0.277 1.00 12.53 N ATOM 939 CZ ARG A 62 -6.064 20.664 -0.381 1.00 21.33 C ATOM 940 NH1 ARG A 62 -5.779 21.168 -1.574 1.00 32.11 N ATOM 941 NH2 ARG A 62 -5.561 21.227 0.709 1.00 1.14 N ATOM 0 H ARG A 62 -5.728 14.516 -1.985 1.00 44.11 H new ATOM 0 HA ARG A 62 -8.420 15.038 -0.965 1.00 2.24 H new ATOM 0 HB2 ARG A 62 -6.238 16.558 -2.106 1.00 21.54 H new ATOM 0 HB3 ARG A 62 -7.667 16.784 -3.095 1.00 21.54 H new ATOM 0 HG2 ARG A 62 -8.956 17.435 -1.061 1.00 51.11 H new ATOM 0 HG3 ARG A 62 -7.510 17.236 -0.091 1.00 51.11 H new ATOM 0 HD2 ARG A 62 -6.730 18.897 -2.246 1.00 3.54 H new ATOM 0 HD3 ARG A 62 -8.313 19.480 -1.769 1.00 3.54 H new ATOM 0 HE ARG A 62 -7.048 19.233 0.655 1.00 12.53 H new ATOM 0 HH11 ARG A 62 -6.163 20.737 -2.415 1.00 32.11 H new ATOM 0 HH12 ARG A 62 -5.176 21.987 -1.651 1.00 32.11 H new ATOM 0 HH21 ARG A 62 -5.777 20.841 1.628 1.00 1.14 H new ATOM 0 HH22 ARG A 62 -4.958 22.046 0.628 1.00 1.14 H new ATOM 955 N PHE A 63 -7.837 14.529 -4.188 1.00 24.41 N ATOM 956 CA PHE A 63 -8.433 14.021 -5.418 1.00 13.43 C ATOM 957 C PHE A 63 -7.933 12.613 -5.724 1.00 61.31 C ATOM 958 O PHE A 63 -8.606 11.838 -6.403 1.00 4.13 O ATOM 959 CB PHE A 63 -8.113 14.955 -6.588 1.00 22.52 C ATOM 960 CG PHE A 63 -9.115 16.059 -6.766 1.00 61.22 C ATOM 961 CD1 PHE A 63 -10.440 15.770 -7.049 1.00 70.51 C ATOM 962 CD2 PHE A 63 -8.732 17.385 -6.653 1.00 72.13 C ATOM 963 CE1 PHE A 63 -11.366 16.783 -7.214 1.00 32.41 C ATOM 964 CE2 PHE A 63 -9.653 18.403 -6.817 1.00 22.02 C ATOM 965 CZ PHE A 63 -10.971 18.101 -7.098 1.00 51.11 C ATOM 0 H PHE A 63 -6.897 14.908 -4.301 1.00 24.41 H new ATOM 0 HA PHE A 63 -9.513 13.981 -5.279 1.00 13.43 H new ATOM 0 HB2 PHE A 63 -7.126 15.392 -6.434 1.00 22.52 H new ATOM 0 HB3 PHE A 63 -8.062 14.370 -7.506 1.00 22.52 H new ATOM 0 HD1 PHE A 63 -10.753 14.741 -7.142 1.00 70.51 H new ATOM 0 HD2 PHE A 63 -7.702 17.627 -6.434 1.00 72.13 H new ATOM 0 HE1 PHE A 63 -12.396 16.544 -7.433 1.00 32.41 H new ATOM 0 HE2 PHE A 63 -9.342 19.433 -6.725 1.00 22.02 H new ATOM 0 HZ PHE A 63 -11.692 18.895 -7.227 1.00 51.11 H new ATOM 975 N ASN A 64 -6.748 12.289 -5.219 1.00 42.20 N ATOM 976 CA ASN A 64 -6.156 10.974 -5.439 1.00 43.42 C ATOM 977 C ASN A 64 -7.137 9.868 -5.067 1.00 63.45 C ATOM 978 O ASN A 64 -7.157 8.805 -5.690 1.00 74.01 O ATOM 979 CB ASN A 64 -4.870 10.828 -4.623 1.00 32.42 C ATOM 980 CG ASN A 64 -3.921 11.993 -4.824 1.00 11.51 C ATOM 981 OD1 ASN A 64 -3.497 12.277 -5.944 1.00 72.44 O ATOM 982 ND2 ASN A 64 -3.583 12.675 -3.735 1.00 43.32 N ATOM 0 H ASN A 64 -6.178 12.919 -4.654 1.00 42.20 H new ATOM 0 HA ASN A 64 -5.918 10.882 -6.499 1.00 43.42 H new ATOM 0 HB2 ASN A 64 -5.122 10.746 -3.566 1.00 32.42 H new ATOM 0 HB3 ASN A 64 -4.368 9.902 -4.904 1.00 32.42 H new ATOM 0 HD21 ASN A 64 -2.948 13.470 -3.808 1.00 43.32 H new ATOM 0 HD22 ASN A 64 -3.959 12.404 -2.826 1.00 43.32 H new ATOM 989 N LYS A 65 -7.951 10.123 -4.049 1.00 22.34 N ATOM 990 CA LYS A 65 -8.936 9.150 -3.594 1.00 35.25 C ATOM 991 C LYS A 65 -9.969 8.872 -4.681 1.00 71.14 C ATOM 992 O LYS A 65 -10.157 7.728 -5.096 1.00 44.32 O ATOM 993 CB LYS A 65 -9.635 9.655 -2.328 1.00 73.24 C ATOM 994 CG LYS A 65 -10.831 8.813 -1.918 1.00 11.53 C ATOM 995 CD LYS A 65 -11.114 8.936 -0.429 1.00 52.41 C ATOM 996 CE LYS A 65 -12.555 9.347 -0.168 1.00 32.44 C ATOM 997 NZ LYS A 65 -12.719 9.970 1.174 1.00 52.41 N ATOM 0 H LYS A 65 -7.948 10.997 -3.523 1.00 22.34 H new ATOM 0 HA LYS A 65 -8.414 8.220 -3.368 1.00 35.25 H new ATOM 0 HB2 LYS A 65 -8.916 9.674 -1.509 1.00 73.24 H new ATOM 0 HB3 LYS A 65 -9.962 10.682 -2.489 1.00 73.24 H new ATOM 0 HG2 LYS A 65 -11.709 9.126 -2.483 1.00 11.53 H new ATOM 0 HG3 LYS A 65 -10.646 7.769 -2.169 1.00 11.53 H new ATOM 0 HD2 LYS A 65 -10.912 7.984 0.061 1.00 52.41 H new ATOM 0 HD3 LYS A 65 -10.440 9.670 0.011 1.00 52.41 H new ATOM 0 HE2 LYS A 65 -12.877 10.050 -0.936 1.00 32.44 H new ATOM 0 HE3 LYS A 65 -13.202 8.473 -0.244 1.00 32.44 H new ATOM 0 HZ1 LYS A 65 -13.715 10.236 1.314 1.00 52.41 H new ATOM 0 HZ2 LYS A 65 -12.436 9.291 1.909 1.00 52.41 H new ATOM 0 HZ3 LYS A 65 -12.121 10.819 1.238 1.00 52.41 H new ATOM 1011 N LYS A 66 -10.637 9.925 -5.140 1.00 42.02 N ATOM 1012 CA LYS A 66 -11.648 9.796 -6.182 1.00 0.42 C ATOM 1013 C LYS A 66 -11.069 9.124 -7.423 1.00 20.23 C ATOM 1014 O LYS A 66 -11.624 8.149 -7.928 1.00 74.55 O ATOM 1015 CB LYS A 66 -12.210 11.171 -6.549 1.00 31.12 C ATOM 1016 CG LYS A 66 -13.255 11.126 -7.651 1.00 44.42 C ATOM 1017 CD LYS A 66 -14.645 11.423 -7.113 1.00 53.31 C ATOM 1018 CE LYS A 66 -15.000 12.894 -7.264 1.00 43.24 C ATOM 1019 NZ LYS A 66 -15.339 13.241 -8.673 1.00 23.32 N ATOM 0 H LYS A 66 -10.496 10.878 -4.806 1.00 42.02 H new ATOM 0 HA LYS A 66 -12.454 9.172 -5.796 1.00 0.42 H new ATOM 0 HB2 LYS A 66 -12.650 11.623 -5.660 1.00 31.12 H new ATOM 0 HB3 LYS A 66 -11.390 11.817 -6.863 1.00 31.12 H new ATOM 0 HG2 LYS A 66 -13.001 11.850 -8.425 1.00 44.42 H new ATOM 0 HG3 LYS A 66 -13.248 10.142 -8.121 1.00 44.42 H new ATOM 0 HD2 LYS A 66 -15.378 10.815 -7.642 1.00 53.31 H new ATOM 0 HD3 LYS A 66 -14.697 11.142 -6.061 1.00 53.31 H new ATOM 0 HE2 LYS A 66 -15.845 13.132 -6.618 1.00 43.24 H new ATOM 0 HE3 LYS A 66 -14.162 13.506 -6.931 1.00 43.24 H new ATOM 0 HZ1 LYS A 66 -15.083 14.232 -8.858 1.00 23.32 H new ATOM 0 HZ2 LYS A 66 -14.811 12.621 -9.320 1.00 23.32 H new ATOM 0 HZ3 LYS A 66 -16.360 13.113 -8.826 1.00 23.32 H new ATOM 1033 N ARG A 67 -9.950 9.652 -7.907 1.00 25.52 N ATOM 1034 CA ARG A 67 -9.294 9.102 -9.088 1.00 33.20 C ATOM 1035 C ARG A 67 -8.932 7.635 -8.876 1.00 72.25 C ATOM 1036 O ARG A 67 -9.438 6.753 -9.571 1.00 34.41 O ATOM 1037 CB ARG A 67 -8.036 9.906 -9.420 1.00 73.24 C ATOM 1038 CG ARG A 67 -8.081 10.570 -10.787 1.00 63.31 C ATOM 1039 CD ARG A 67 -6.833 11.398 -11.045 1.00 42.34 C ATOM 1040 NE ARG A 67 -6.801 11.932 -12.404 1.00 71.00 N ATOM 1041 CZ ARG A 67 -5.714 12.450 -12.965 1.00 21.52 C ATOM 1042 NH1 ARG A 67 -4.575 12.504 -12.288 1.00 32.43 N ATOM 1043 NH2 ARG A 67 -5.764 12.915 -14.207 1.00 33.23 N ATOM 0 H ARG A 67 -9.478 10.460 -7.500 1.00 25.52 H new ATOM 0 HA ARG A 67 -9.991 9.169 -9.924 1.00 33.20 H new ATOM 0 HB2 ARG A 67 -7.893 10.672 -8.658 1.00 73.24 H new ATOM 0 HB3 ARG A 67 -7.170 9.245 -9.375 1.00 73.24 H new ATOM 0 HG2 ARG A 67 -8.179 9.808 -11.560 1.00 63.31 H new ATOM 0 HG3 ARG A 67 -8.962 11.208 -10.854 1.00 63.31 H new ATOM 0 HD2 ARG A 67 -6.790 12.221 -10.331 1.00 42.34 H new ATOM 0 HD3 ARG A 67 -5.949 10.783 -10.876 1.00 42.34 H new ATOM 0 HE ARG A 67 -7.661 11.906 -12.953 1.00 71.00 H new ATOM 0 HH11 ARG A 67 -4.532 12.147 -11.333 1.00 32.43 H new ATOM 0 HH12 ARG A 67 -3.742 12.902 -12.722 1.00 32.43 H new ATOM 0 HH21 ARG A 67 -6.638 12.875 -14.732 1.00 33.23 H new ATOM 0 HH22 ARG A 67 -4.929 13.313 -14.637 1.00 33.23 H new ATOM 1057 N LEU A 68 -8.054 7.381 -7.913 1.00 71.01 N ATOM 1058 CA LEU A 68 -7.623 6.020 -7.609 1.00 41.30 C ATOM 1059 C LEU A 68 -8.824 5.100 -7.416 1.00 24.02 C ATOM 1060 O LEU A 68 -8.768 3.915 -7.744 1.00 54.55 O ATOM 1061 CB LEU A 68 -6.750 6.010 -6.354 1.00 23.25 C ATOM 1062 CG LEU A 68 -6.019 4.700 -6.055 1.00 72.03 C ATOM 1063 CD1 LEU A 68 -5.210 4.253 -7.263 1.00 45.32 C ATOM 1064 CD2 LEU A 68 -5.121 4.855 -4.837 1.00 51.13 C ATOM 0 H LEU A 68 -7.626 8.099 -7.329 1.00 71.01 H new ATOM 0 HA LEU A 68 -7.039 5.652 -8.453 1.00 41.30 H new ATOM 0 HB2 LEU A 68 -6.009 6.804 -6.445 1.00 23.25 H new ATOM 0 HB3 LEU A 68 -7.377 6.256 -5.497 1.00 23.25 H new ATOM 0 HG LEU A 68 -6.762 3.933 -5.837 1.00 72.03 H new ATOM 0 HD11 LEU A 68 -4.697 3.320 -7.032 1.00 45.32 H new ATOM 0 HD12 LEU A 68 -5.877 4.100 -8.111 1.00 45.32 H new ATOM 0 HD13 LEU A 68 -4.476 5.019 -7.513 1.00 45.32 H new ATOM 0 HD21 LEU A 68 -4.609 3.913 -4.640 1.00 51.13 H new ATOM 0 HD22 LEU A 68 -4.384 5.636 -5.025 1.00 51.13 H new ATOM 0 HD23 LEU A 68 -5.725 5.128 -3.972 1.00 51.13 H new ATOM 1076 N GLU A 69 -9.908 5.654 -6.882 1.00 34.45 N ATOM 1077 CA GLU A 69 -11.122 4.881 -6.647 1.00 10.45 C ATOM 1078 C GLU A 69 -11.803 4.522 -7.964 1.00 13.50 C ATOM 1079 O GLU A 69 -12.018 3.349 -8.264 1.00 63.13 O ATOM 1080 CB GLU A 69 -12.089 5.667 -5.757 1.00 20.41 C ATOM 1081 CG GLU A 69 -11.820 5.501 -4.271 1.00 2.55 C ATOM 1082 CD GLU A 69 -12.527 4.297 -3.681 1.00 63.30 C ATOM 1083 OE1 GLU A 69 -13.027 3.462 -4.463 1.00 32.41 O ATOM 1084 OE2 GLU A 69 -12.580 4.189 -2.438 1.00 24.31 O ATOM 0 H GLU A 69 -9.970 6.634 -6.604 1.00 34.45 H new ATOM 0 HA GLU A 69 -10.842 3.958 -6.140 1.00 10.45 H new ATOM 0 HB2 GLU A 69 -12.027 6.725 -6.013 1.00 20.41 H new ATOM 0 HB3 GLU A 69 -13.109 5.347 -5.971 1.00 20.41 H new ATOM 0 HG2 GLU A 69 -10.747 5.403 -4.109 1.00 2.55 H new ATOM 0 HG3 GLU A 69 -12.141 6.400 -3.745 1.00 2.55 H new ATOM 1091 N GLU A 70 -12.142 5.544 -8.745 1.00 63.51 N ATOM 1092 CA GLU A 70 -12.799 5.336 -10.030 1.00 72.22 C ATOM 1093 C GLU A 70 -11.926 4.498 -10.960 1.00 10.42 C ATOM 1094 O GLU A 70 -12.411 3.930 -11.938 1.00 64.52 O ATOM 1095 CB GLU A 70 -13.120 6.680 -10.687 1.00 73.05 C ATOM 1096 CG GLU A 70 -11.888 7.452 -11.128 1.00 3.12 C ATOM 1097 CD GLU A 70 -12.228 8.649 -11.993 1.00 5.50 C ATOM 1098 OE1 GLU A 70 -13.361 9.162 -11.877 1.00 60.15 O ATOM 1099 OE2 GLU A 70 -11.361 9.074 -12.787 1.00 14.44 O ATOM 0 H GLU A 70 -11.973 6.522 -8.510 1.00 63.51 H new ATOM 0 HA GLU A 70 -13.729 4.796 -9.850 1.00 72.22 H new ATOM 0 HB2 GLU A 70 -13.760 6.508 -11.553 1.00 73.05 H new ATOM 0 HB3 GLU A 70 -13.689 7.291 -9.986 1.00 73.05 H new ATOM 0 HG2 GLU A 70 -11.340 7.789 -10.248 1.00 3.12 H new ATOM 0 HG3 GLU A 70 -11.225 6.786 -11.680 1.00 3.12 H new ATOM 1106 N ILE A 71 -10.636 4.429 -10.647 1.00 14.01 N ATOM 1107 CA ILE A 71 -9.695 3.661 -11.453 1.00 50.02 C ATOM 1108 C ILE A 71 -9.556 2.237 -10.928 1.00 35.44 C ATOM 1109 O ILE A 71 -9.411 1.289 -11.701 1.00 1.25 O ATOM 1110 CB ILE A 71 -8.306 4.324 -11.480 1.00 41.44 C ATOM 1111 CG1 ILE A 71 -8.400 5.732 -12.072 1.00 42.52 C ATOM 1112 CG2 ILE A 71 -7.328 3.473 -12.277 1.00 31.01 C ATOM 1113 CD1 ILE A 71 -7.304 6.661 -11.600 1.00 44.14 C ATOM 0 H ILE A 71 -10.219 4.895 -9.841 1.00 14.01 H new ATOM 0 HA ILE A 71 -10.096 3.634 -12.466 1.00 50.02 H new ATOM 0 HB ILE A 71 -7.938 4.404 -10.457 1.00 41.44 H new ATOM 0 HG12 ILE A 71 -8.363 5.663 -13.159 1.00 42.52 H new ATOM 0 HG13 ILE A 71 -9.367 6.163 -11.812 1.00 42.52 H new ATOM 0 HG21 ILE A 71 -6.350 3.955 -12.287 1.00 31.01 H new ATOM 0 HG22 ILE A 71 -7.243 2.489 -11.816 1.00 31.01 H new ATOM 0 HG23 ILE A 71 -7.689 3.365 -13.300 1.00 31.01 H new ATOM 0 HD11 ILE A 71 -7.434 7.641 -12.060 1.00 44.14 H new ATOM 0 HD12 ILE A 71 -7.353 6.760 -10.516 1.00 44.14 H new ATOM 0 HD13 ILE A 71 -6.334 6.253 -11.884 1.00 44.14 H new ATOM 1125 N THR A 72 -9.603 2.091 -9.608 1.00 22.34 N ATOM 1126 CA THR A 72 -9.483 0.782 -8.978 1.00 24.41 C ATOM 1127 C THR A 72 -10.698 -0.087 -9.279 1.00 54.14 C ATOM 1128 O THR A 72 -10.577 -1.297 -9.474 1.00 10.32 O ATOM 1129 CB THR A 72 -9.322 0.906 -7.451 1.00 23.31 C ATOM 1130 OG1 THR A 72 -10.201 1.916 -6.945 1.00 70.41 O ATOM 1131 CG2 THR A 72 -7.885 1.248 -7.085 1.00 43.12 C ATOM 0 H THR A 72 -9.723 2.864 -8.954 1.00 22.34 H new ATOM 0 HA THR A 72 -8.591 0.312 -9.394 1.00 24.41 H new ATOM 0 HB THR A 72 -9.577 -0.054 -7.002 1.00 23.31 H new ATOM 0 HG1 THR A 72 -10.880 2.127 -7.620 1.00 70.41 H new ATOM 0 HG21 THR A 72 -7.795 1.331 -6.002 1.00 43.12 H new ATOM 0 HG22 THR A 72 -7.221 0.462 -7.445 1.00 43.12 H new ATOM 0 HG23 THR A 72 -7.608 2.196 -7.545 1.00 43.12 H new ATOM 1139 N LYS A 73 -11.870 0.537 -9.318 1.00 75.45 N ATOM 1140 CA LYS A 73 -13.110 -0.179 -9.600 1.00 32.33 C ATOM 1141 C LYS A 73 -12.970 -1.038 -10.852 1.00 70.14 C ATOM 1142 O LYS A 73 -13.095 -2.262 -10.811 1.00 24.51 O ATOM 1143 CB LYS A 73 -14.265 0.809 -9.772 1.00 75.25 C ATOM 1144 CG LYS A 73 -15.218 0.844 -8.589 1.00 42.23 C ATOM 1145 CD LYS A 73 -15.952 -0.475 -8.425 1.00 64.42 C ATOM 1146 CE LYS A 73 -17.250 -0.300 -7.651 1.00 63.13 C ATOM 1147 NZ LYS A 73 -18.442 -0.396 -8.539 1.00 24.01 N ATOM 0 H LYS A 73 -11.988 1.537 -9.158 1.00 75.45 H new ATOM 0 HA LYS A 73 -13.323 -0.833 -8.755 1.00 32.33 H new ATOM 0 HB2 LYS A 73 -13.857 1.808 -9.929 1.00 75.25 H new ATOM 0 HB3 LYS A 73 -14.824 0.548 -10.671 1.00 75.25 H new ATOM 0 HG2 LYS A 73 -14.661 1.067 -7.679 1.00 42.23 H new ATOM 0 HG3 LYS A 73 -15.940 1.649 -8.726 1.00 42.23 H new ATOM 0 HD2 LYS A 73 -16.167 -0.897 -9.407 1.00 64.42 H new ATOM 0 HD3 LYS A 73 -15.311 -1.187 -7.905 1.00 64.42 H new ATOM 0 HE2 LYS A 73 -17.314 -1.061 -6.873 1.00 63.13 H new ATOM 0 HE3 LYS A 73 -17.247 0.668 -7.151 1.00 63.13 H new ATOM 0 HZ1 LYS A 73 -19.306 -0.272 -7.974 1.00 24.01 H new ATOM 0 HZ2 LYS A 73 -18.394 0.346 -9.266 1.00 24.01 H new ATOM 0 HZ3 LYS A 73 -18.459 -1.329 -8.997 1.00 24.01 H new ATOM 1161 N PRO A 74 -12.703 -0.385 -11.992 1.00 43.53 N ATOM 1162 CA PRO A 74 -12.538 -1.070 -13.277 1.00 73.23 C ATOM 1163 C PRO A 74 -11.256 -1.894 -13.335 1.00 52.45 C ATOM 1164 O PRO A 74 -11.228 -2.977 -13.920 1.00 62.24 O ATOM 1165 CB PRO A 74 -12.481 0.079 -14.288 1.00 62.02 C ATOM 1166 CG PRO A 74 -11.992 1.248 -13.505 1.00 34.24 C ATOM 1167 CD PRO A 74 -12.541 1.074 -12.115 1.00 22.41 C ATOM 0 HA PRO A 74 -13.342 -1.782 -13.465 1.00 73.23 H new ATOM 0 HB2 PRO A 74 -11.809 -0.153 -15.114 1.00 62.02 H new ATOM 0 HB3 PRO A 74 -13.462 0.275 -14.721 1.00 62.02 H new ATOM 0 HG2 PRO A 74 -10.903 1.282 -13.493 1.00 34.24 H new ATOM 0 HG3 PRO A 74 -12.335 2.184 -13.946 1.00 34.24 H new ATOM 0 HD2 PRO A 74 -11.859 1.467 -11.361 1.00 22.41 H new ATOM 0 HD3 PRO A 74 -13.490 1.596 -11.990 1.00 22.41 H new ATOM 1175 N LYS A 75 -10.197 -1.375 -12.724 1.00 14.30 N ATOM 1176 CA LYS A 75 -8.912 -2.063 -12.703 1.00 64.12 C ATOM 1177 C LYS A 75 -9.010 -3.376 -11.933 1.00 74.53 C ATOM 1178 O LYS A 75 -8.216 -4.292 -12.146 1.00 72.14 O ATOM 1179 CB LYS A 75 -7.842 -1.169 -12.072 1.00 71.11 C ATOM 1180 CG LYS A 75 -7.269 -0.138 -13.029 1.00 50.24 C ATOM 1181 CD LYS A 75 -6.305 -0.771 -14.019 1.00 1.43 C ATOM 1182 CE LYS A 75 -6.886 -0.800 -15.423 1.00 75.44 C ATOM 1183 NZ LYS A 75 -6.277 0.240 -16.298 1.00 73.13 N ATOM 0 H LYS A 75 -10.203 -0.479 -12.236 1.00 14.30 H new ATOM 0 HA LYS A 75 -8.631 -2.286 -13.732 1.00 64.12 H new ATOM 0 HB2 LYS A 75 -8.271 -0.655 -11.212 1.00 71.11 H new ATOM 0 HB3 LYS A 75 -7.032 -1.795 -11.698 1.00 71.11 H new ATOM 0 HG2 LYS A 75 -8.081 0.348 -13.570 1.00 50.24 H new ATOM 0 HG3 LYS A 75 -6.753 0.638 -12.463 1.00 50.24 H new ATOM 0 HD2 LYS A 75 -5.368 -0.213 -14.023 1.00 1.43 H new ATOM 0 HD3 LYS A 75 -6.070 -1.787 -13.701 1.00 1.43 H new ATOM 0 HE2 LYS A 75 -6.724 -1.784 -15.862 1.00 75.44 H new ATOM 0 HE3 LYS A 75 -7.964 -0.646 -15.373 1.00 75.44 H new ATOM 0 HZ1 LYS A 75 -6.700 0.187 -17.247 1.00 73.13 H new ATOM 0 HZ2 LYS A 75 -6.453 1.181 -15.892 1.00 73.13 H new ATOM 0 HZ3 LYS A 75 -5.252 0.079 -16.367 1.00 73.13 H new ATOM 1197 N GLY A 76 -9.991 -3.462 -11.040 1.00 21.02 N ATOM 1198 CA GLY A 76 -10.175 -4.668 -10.253 1.00 64.01 C ATOM 1199 C GLY A 76 -8.915 -5.079 -9.517 1.00 54.30 C ATOM 1200 O GLY A 76 -8.357 -6.145 -9.776 1.00 62.20 O ATOM 0 H GLY A 76 -10.662 -2.718 -10.847 1.00 21.02 H new ATOM 0 HA2 GLY A 76 -10.977 -4.509 -9.532 1.00 64.01 H new ATOM 0 HA3 GLY A 76 -10.491 -5.480 -10.907 1.00 64.01 H new ATOM 1204 N ILE A 77 -8.464 -4.230 -8.599 1.00 52.25 N ATOM 1205 CA ILE A 77 -7.262 -4.510 -7.825 1.00 12.23 C ATOM 1206 C ILE A 77 -7.465 -4.169 -6.353 1.00 35.20 C ATOM 1207 O ILE A 77 -8.286 -3.325 -5.993 1.00 20.44 O ATOM 1208 CB ILE A 77 -6.051 -3.723 -8.361 1.00 32.44 C ATOM 1209 CG1 ILE A 77 -6.394 -2.237 -8.480 1.00 10.11 C ATOM 1210 CG2 ILE A 77 -5.609 -4.281 -9.705 1.00 15.11 C ATOM 1211 CD1 ILE A 77 -5.484 -1.339 -7.670 1.00 72.12 C ATOM 0 H ILE A 77 -8.914 -3.343 -8.374 1.00 52.25 H new ATOM 0 HA ILE A 77 -7.064 -5.577 -7.924 1.00 12.23 H new ATOM 0 HB ILE A 77 -5.226 -3.830 -7.657 1.00 32.44 H new ATOM 0 HG12 ILE A 77 -6.341 -1.943 -9.528 1.00 10.11 H new ATOM 0 HG13 ILE A 77 -7.424 -2.083 -8.157 1.00 10.11 H new ATOM 0 HG21 ILE A 77 -4.753 -3.714 -10.070 1.00 15.11 H new ATOM 0 HG22 ILE A 77 -5.329 -5.328 -9.590 1.00 15.11 H new ATOM 0 HG23 ILE A 77 -6.428 -4.201 -10.419 1.00 15.11 H new ATOM 0 HD11 ILE A 77 -5.786 -0.300 -7.802 1.00 72.12 H new ATOM 0 HD12 ILE A 77 -5.554 -1.606 -6.615 1.00 72.12 H new ATOM 0 HD13 ILE A 77 -4.455 -1.464 -8.008 1.00 72.12 H new ATOM 1223 N PRO A 78 -6.698 -4.839 -5.480 1.00 13.12 N ATOM 1224 CA PRO A 78 -6.774 -4.623 -4.032 1.00 0.30 C ATOM 1225 C PRO A 78 -6.225 -3.261 -3.619 1.00 65.02 C ATOM 1226 O PRO A 78 -5.018 -3.024 -3.682 1.00 42.25 O ATOM 1227 CB PRO A 78 -5.905 -5.746 -3.459 1.00 43.41 C ATOM 1228 CG PRO A 78 -4.950 -6.080 -4.553 1.00 40.24 C ATOM 1229 CD PRO A 78 -5.698 -5.859 -5.838 1.00 41.54 C ATOM 0 HA PRO A 78 -7.803 -4.636 -3.672 1.00 0.30 H new ATOM 0 HB2 PRO A 78 -5.380 -5.422 -2.560 1.00 43.41 H new ATOM 0 HB3 PRO A 78 -6.508 -6.611 -3.181 1.00 43.41 H new ATOM 0 HG2 PRO A 78 -4.064 -5.447 -4.504 1.00 40.24 H new ATOM 0 HG3 PRO A 78 -4.610 -7.112 -4.472 1.00 40.24 H new ATOM 0 HD2 PRO A 78 -5.038 -5.513 -6.633 1.00 41.54 H new ATOM 0 HD3 PRO A 78 -6.169 -6.776 -6.192 1.00 41.54 H new ATOM 1237 N ILE A 79 -7.117 -2.371 -3.198 1.00 61.41 N ATOM 1238 CA ILE A 79 -6.720 -1.034 -2.775 1.00 33.54 C ATOM 1239 C ILE A 79 -7.169 -0.754 -1.345 1.00 20.44 C ATOM 1240 O ILE A 79 -8.358 -0.821 -1.033 1.00 22.43 O ATOM 1241 CB ILE A 79 -7.303 0.047 -3.704 1.00 0.55 C ATOM 1242 CG1 ILE A 79 -6.929 1.442 -3.198 1.00 31.23 C ATOM 1243 CG2 ILE A 79 -8.814 -0.099 -3.803 1.00 41.15 C ATOM 1244 CD1 ILE A 79 -5.437 1.671 -3.105 1.00 43.04 C ATOM 0 H ILE A 79 -8.119 -2.552 -3.141 1.00 61.41 H new ATOM 0 HA ILE A 79 -5.632 -0.997 -2.826 1.00 33.54 H new ATOM 0 HB ILE A 79 -6.879 -0.083 -4.700 1.00 0.55 H new ATOM 0 HG12 ILE A 79 -7.362 2.189 -3.863 1.00 31.23 H new ATOM 0 HG13 ILE A 79 -7.374 1.594 -2.215 1.00 31.23 H new ATOM 0 HG21 ILE A 79 -9.212 0.672 -4.463 1.00 41.15 H new ATOM 0 HG22 ILE A 79 -9.059 -1.082 -4.205 1.00 41.15 H new ATOM 0 HG23 ILE A 79 -9.256 0.008 -2.812 1.00 41.15 H new ATOM 0 HD11 ILE A 79 -5.246 2.680 -2.740 1.00 43.04 H new ATOM 0 HD12 ILE A 79 -5.000 0.947 -2.417 1.00 43.04 H new ATOM 0 HD13 ILE A 79 -4.988 1.551 -4.091 1.00 43.04 H new ATOM 1256 N GLU A 80 -6.210 -0.440 -0.480 1.00 21.24 N ATOM 1257 CA GLU A 80 -6.508 -0.150 0.918 1.00 5.01 C ATOM 1258 C GLU A 80 -6.136 1.289 1.266 1.00 50.23 C ATOM 1259 O GLU A 80 -5.425 1.957 0.514 1.00 12.13 O ATOM 1260 CB GLU A 80 -5.756 -1.117 1.834 1.00 11.34 C ATOM 1261 CG GLU A 80 -6.281 -2.542 1.778 1.00 43.14 C ATOM 1262 CD GLU A 80 -7.672 -2.674 2.366 1.00 24.44 C ATOM 1263 OE1 GLU A 80 -8.651 -2.380 1.650 1.00 60.13 O ATOM 1264 OE2 GLU A 80 -7.781 -3.074 3.545 1.00 74.15 O ATOM 0 H GLU A 80 -5.221 -0.380 -0.722 1.00 21.24 H new ATOM 0 HA GLU A 80 -7.580 -0.277 1.068 1.00 5.01 H new ATOM 0 HB2 GLU A 80 -4.701 -1.117 1.561 1.00 11.34 H new ATOM 0 HB3 GLU A 80 -5.820 -0.755 2.860 1.00 11.34 H new ATOM 0 HG2 GLU A 80 -6.295 -2.880 0.742 1.00 43.14 H new ATOM 0 HG3 GLU A 80 -5.598 -3.198 2.318 1.00 43.14 H new ATOM 1271 N ILE A 81 -6.624 1.760 2.408 1.00 10.45 N ATOM 1272 CA ILE A 81 -6.344 3.119 2.856 1.00 62.13 C ATOM 1273 C ILE A 81 -5.952 3.142 4.330 1.00 10.01 C ATOM 1274 O ILE A 81 -6.582 2.486 5.160 1.00 3.34 O ATOM 1275 CB ILE A 81 -7.557 4.043 2.643 1.00 31.23 C ATOM 1276 CG1 ILE A 81 -7.954 4.069 1.167 1.00 42.33 C ATOM 1277 CG2 ILE A 81 -7.246 5.448 3.140 1.00 72.44 C ATOM 1278 CD1 ILE A 81 -9.045 3.082 0.816 1.00 41.11 C ATOM 0 H ILE A 81 -7.215 1.221 3.040 1.00 10.45 H new ATOM 0 HA ILE A 81 -5.511 3.484 2.256 1.00 62.13 H new ATOM 0 HB ILE A 81 -8.397 3.653 3.217 1.00 31.23 H new ATOM 0 HG12 ILE A 81 -8.287 5.074 0.907 1.00 42.33 H new ATOM 0 HG13 ILE A 81 -7.074 3.857 0.559 1.00 42.33 H new ATOM 0 HG21 ILE A 81 -8.113 6.090 2.983 1.00 72.44 H new ATOM 0 HG22 ILE A 81 -7.008 5.414 4.203 1.00 72.44 H new ATOM 0 HG23 ILE A 81 -6.394 5.848 2.590 1.00 72.44 H new ATOM 0 HD11 ILE A 81 -9.275 3.157 -0.247 1.00 41.11 H new ATOM 0 HD12 ILE A 81 -8.708 2.071 1.044 1.00 41.11 H new ATOM 0 HD13 ILE A 81 -9.939 3.306 1.397 1.00 41.11 H new ATOM 1290 N ILE A 82 -4.911 3.904 4.648 1.00 43.32 N ATOM 1291 CA ILE A 82 -4.437 4.015 6.022 1.00 52.10 C ATOM 1292 C ILE A 82 -5.222 5.074 6.789 1.00 52.24 C ATOM 1293 O ILE A 82 -5.302 6.228 6.370 1.00 45.20 O ATOM 1294 CB ILE A 82 -2.939 4.366 6.074 1.00 25.31 C ATOM 1295 CG1 ILE A 82 -2.143 3.439 5.151 1.00 53.42 C ATOM 1296 CG2 ILE A 82 -2.422 4.269 7.502 1.00 3.43 C ATOM 1297 CD1 ILE A 82 -0.668 3.764 5.094 1.00 4.54 C ATOM 0 H ILE A 82 -4.380 4.454 3.973 1.00 43.32 H new ATOM 0 HA ILE A 82 -4.590 3.042 6.489 1.00 52.10 H new ATOM 0 HB ILE A 82 -2.809 5.392 5.729 1.00 25.31 H new ATOM 0 HG12 ILE A 82 -2.267 2.410 5.488 1.00 53.42 H new ATOM 0 HG13 ILE A 82 -2.559 3.497 4.145 1.00 53.42 H new ATOM 0 HG21 ILE A 82 -1.361 4.520 7.523 1.00 3.43 H new ATOM 0 HG22 ILE A 82 -2.972 4.964 8.136 1.00 3.43 H new ATOM 0 HG23 ILE A 82 -2.562 3.253 7.871 1.00 3.43 H new ATOM 0 HD11 ILE A 82 -0.168 3.067 4.422 1.00 4.54 H new ATOM 0 HD12 ILE A 82 -0.534 4.782 4.728 1.00 4.54 H new ATOM 0 HD13 ILE A 82 -0.238 3.678 6.092 1.00 4.54 H new ATOM 1309 N ASN A 83 -5.800 4.672 7.917 1.00 11.10 N ATOM 1310 CA ASN A 83 -6.578 5.587 8.744 1.00 73.00 C ATOM 1311 C ASN A 83 -5.719 6.755 9.221 1.00 63.04 C ATOM 1312 O ASN A 83 -4.492 6.660 9.266 1.00 32.43 O ATOM 1313 CB ASN A 83 -7.163 4.846 9.949 1.00 71.14 C ATOM 1314 CG ASN A 83 -8.680 4.846 9.946 1.00 41.13 C ATOM 1315 OD1 ASN A 83 -9.309 4.655 8.906 1.00 15.11 O ATOM 1316 ND2 ASN A 83 -9.272 5.062 11.115 1.00 55.10 N ATOM 0 H ASN A 83 -5.744 3.720 8.279 1.00 11.10 H new ATOM 0 HA ASN A 83 -7.392 5.982 8.137 1.00 73.00 H new ATOM 0 HB2 ASN A 83 -6.802 3.817 9.950 1.00 71.14 H new ATOM 0 HB3 ASN A 83 -6.804 5.311 10.867 1.00 71.14 H new ATOM 0 HD21 ASN A 83 -10.290 5.074 11.177 1.00 55.10 H new ATOM 0 HD22 ASN A 83 -8.709 5.216 11.951 1.00 55.10 H new ATOM 1323 N THR A 84 -6.372 7.857 9.574 1.00 12.30 N ATOM 1324 CA THR A 84 -5.669 9.043 10.047 1.00 53.45 C ATOM 1325 C THR A 84 -4.715 8.701 11.185 1.00 61.23 C ATOM 1326 O THR A 84 -3.509 8.935 11.087 1.00 14.01 O ATOM 1327 CB THR A 84 -6.654 10.126 10.526 1.00 31.00 C ATOM 1328 OG1 THR A 84 -7.720 10.273 9.581 1.00 64.45 O ATOM 1329 CG2 THR A 84 -5.945 11.459 10.710 1.00 14.43 C ATOM 0 H THR A 84 -7.387 7.953 9.541 1.00 12.30 H new ATOM 0 HA THR A 84 -5.098 9.429 9.202 1.00 53.45 H new ATOM 0 HB THR A 84 -7.063 9.814 11.487 1.00 31.00 H new ATOM 0 HG1 THR A 84 -8.342 10.962 9.894 1.00 64.45 H new ATOM 0 HG21 THR A 84 -6.661 12.208 11.049 1.00 14.43 H new ATOM 0 HG22 THR A 84 -5.154 11.351 11.452 1.00 14.43 H new ATOM 0 HG23 THR A 84 -5.511 11.774 9.761 1.00 14.43 H new ATOM 1337 N ILE A 85 -5.260 8.146 12.261 1.00 21.34 N ATOM 1338 CA ILE A 85 -4.455 7.769 13.416 1.00 10.25 C ATOM 1339 C ILE A 85 -3.366 6.776 13.028 1.00 41.42 C ATOM 1340 O ILE A 85 -2.199 6.951 13.377 1.00 4.44 O ATOM 1341 CB ILE A 85 -5.323 7.153 14.530 1.00 2.11 C ATOM 1342 CG1 ILE A 85 -6.459 8.106 14.907 1.00 0.15 C ATOM 1343 CG2 ILE A 85 -4.469 6.829 15.748 1.00 75.53 C ATOM 1344 CD1 ILE A 85 -5.980 9.413 15.498 1.00 55.44 C ATOM 0 H ILE A 85 -6.256 7.947 12.358 1.00 21.34 H new ATOM 0 HA ILE A 85 -3.993 8.683 13.789 1.00 10.25 H new ATOM 0 HB ILE A 85 -5.760 6.226 14.160 1.00 2.11 H new ATOM 0 HG12 ILE A 85 -7.056 8.315 14.020 1.00 0.15 H new ATOM 0 HG13 ILE A 85 -7.115 7.611 15.623 1.00 0.15 H new ATOM 0 HG21 ILE A 85 -5.096 6.395 16.527 1.00 75.53 H new ATOM 0 HG22 ILE A 85 -3.692 6.118 15.469 1.00 75.53 H new ATOM 0 HG23 ILE A 85 -4.007 7.743 16.122 1.00 75.53 H new ATOM 0 HD11 ILE A 85 -6.839 10.039 15.741 1.00 55.44 H new ATOM 0 HD12 ILE A 85 -5.407 9.214 16.404 1.00 55.44 H new ATOM 0 HD13 ILE A 85 -5.348 9.929 14.775 1.00 55.44 H new ATOM 1356 N ASP A 86 -3.755 5.734 12.301 1.00 13.32 N ATOM 1357 CA ASP A 86 -2.811 4.714 11.862 1.00 72.23 C ATOM 1358 C ASP A 86 -1.624 5.346 11.142 1.00 20.53 C ATOM 1359 O ASP A 86 -0.486 4.896 11.288 1.00 14.32 O ATOM 1360 CB ASP A 86 -3.506 3.709 10.941 1.00 1.13 C ATOM 1361 CG ASP A 86 -4.257 2.641 11.712 1.00 53.14 C ATOM 1362 OD1 ASP A 86 -5.403 2.909 12.133 1.00 5.22 O ATOM 1363 OD2 ASP A 86 -3.702 1.538 11.892 1.00 3.11 O ATOM 0 H ASP A 86 -4.717 5.574 12.004 1.00 13.32 H new ATOM 0 HA ASP A 86 -2.441 4.192 12.744 1.00 72.23 H new ATOM 0 HB2 ASP A 86 -4.201 4.238 10.289 1.00 1.13 H new ATOM 0 HB3 ASP A 86 -2.764 3.235 10.299 1.00 1.13 H new ATOM 1368 N TYR A 87 -1.896 6.387 10.365 1.00 11.21 N ATOM 1369 CA TYR A 87 -0.851 7.079 9.619 1.00 22.33 C ATOM 1370 C TYR A 87 0.051 7.876 10.557 1.00 50.02 C ATOM 1371 O TYR A 87 1.259 7.651 10.617 1.00 40.55 O ATOM 1372 CB TYR A 87 -1.470 8.009 8.576 1.00 52.02 C ATOM 1373 CG TYR A 87 -0.451 8.693 7.693 1.00 42.22 C ATOM 1374 CD1 TYR A 87 0.243 7.985 6.720 1.00 33.13 C ATOM 1375 CD2 TYR A 87 -0.182 10.050 7.832 1.00 71.34 C ATOM 1376 CE1 TYR A 87 1.176 8.606 5.913 1.00 32.50 C ATOM 1377 CE2 TYR A 87 0.748 10.679 7.028 1.00 53.25 C ATOM 1378 CZ TYR A 87 1.425 9.953 6.070 1.00 53.42 C ATOM 1379 OH TYR A 87 2.353 10.576 5.267 1.00 74.03 O ATOM 0 H TYR A 87 -2.832 6.771 10.235 1.00 11.21 H new ATOM 0 HA TYR A 87 -0.245 6.329 9.112 1.00 22.33 H new ATOM 0 HB2 TYR A 87 -2.154 7.435 7.950 1.00 52.02 H new ATOM 0 HB3 TYR A 87 -2.064 8.768 9.085 1.00 52.02 H new ATOM 0 HD1 TYR A 87 0.050 6.930 6.592 1.00 33.13 H new ATOM 0 HD2 TYR A 87 -0.709 10.622 8.581 1.00 71.34 H new ATOM 0 HE1 TYR A 87 1.708 8.039 5.163 1.00 32.50 H new ATOM 0 HE2 TYR A 87 0.944 11.734 7.149 1.00 53.25 H new ATOM 0 HH TYR A 87 1.892 11.140 4.611 1.00 74.03 H new ATOM 1389 N GLY A 88 -0.547 8.811 11.290 1.00 75.31 N ATOM 1390 CA GLY A 88 0.214 9.627 12.216 1.00 5.41 C ATOM 1391 C GLY A 88 1.036 8.797 13.181 1.00 63.12 C ATOM 1392 O GLY A 88 2.073 9.246 13.673 1.00 40.43 O ATOM 0 H GLY A 88 -1.545 9.017 11.258 1.00 75.31 H new ATOM 0 HA2 GLY A 88 0.876 10.287 11.655 1.00 5.41 H new ATOM 0 HA3 GLY A 88 -0.468 10.264 12.779 1.00 5.41 H new ATOM 1396 N THR A 89 0.575 7.581 13.456 1.00 54.03 N ATOM 1397 CA THR A 89 1.272 6.687 14.371 1.00 65.01 C ATOM 1398 C THR A 89 2.347 5.886 13.644 1.00 14.32 C ATOM 1399 O THR A 89 3.319 5.438 14.252 1.00 34.00 O ATOM 1400 CB THR A 89 0.297 5.712 15.056 1.00 0.03 C ATOM 1401 OG1 THR A 89 -0.380 4.922 14.071 1.00 11.53 O ATOM 1402 CG2 THR A 89 -0.722 6.467 15.897 1.00 30.30 C ATOM 0 H THR A 89 -0.280 7.193 13.057 1.00 54.03 H new ATOM 0 HA THR A 89 1.740 7.314 15.130 1.00 65.01 H new ATOM 0 HB THR A 89 0.872 5.058 15.712 1.00 0.03 H new ATOM 0 HG1 THR A 89 -0.359 3.979 14.337 1.00 11.53 H new ATOM 0 HG21 THR A 89 -1.400 5.757 16.371 1.00 30.30 H new ATOM 0 HG22 THR A 89 -0.205 7.043 16.664 1.00 30.30 H new ATOM 0 HG23 THR A 89 -1.292 7.142 15.259 1.00 30.30 H new ATOM 1410 N MET A 90 2.166 5.710 12.339 1.00 75.21 N ATOM 1411 CA MET A 90 3.122 4.964 11.529 1.00 32.13 C ATOM 1412 C MET A 90 3.198 3.509 11.981 1.00 64.12 C ATOM 1413 O MET A 90 4.281 2.986 12.239 1.00 61.25 O ATOM 1414 CB MET A 90 4.507 5.610 11.613 1.00 61.24 C ATOM 1415 CG MET A 90 4.487 7.118 11.424 1.00 63.22 C ATOM 1416 SD MET A 90 5.020 8.009 12.897 1.00 2.44 S ATOM 1417 CE MET A 90 6.674 7.354 13.110 1.00 74.42 C ATOM 0 H MET A 90 1.367 6.074 11.820 1.00 75.21 H new ATOM 0 HA MET A 90 2.781 4.987 10.494 1.00 32.13 H new ATOM 0 HB2 MET A 90 4.948 5.379 12.583 1.00 61.24 H new ATOM 0 HB3 MET A 90 5.153 5.166 10.855 1.00 61.24 H new ATOM 0 HG2 MET A 90 5.135 7.384 10.589 1.00 63.22 H new ATOM 0 HG3 MET A 90 3.478 7.434 11.158 1.00 63.22 H new ATOM 0 HE1 MET A 90 6.719 6.773 14.031 1.00 74.42 H new ATOM 0 HE2 MET A 90 6.923 6.713 12.264 1.00 74.42 H new ATOM 0 HE3 MET A 90 7.387 8.177 13.164 1.00 74.42 H new ATOM 1427 N ASN A 91 2.041 2.861 12.074 1.00 44.35 N ATOM 1428 CA ASN A 91 1.978 1.467 12.494 1.00 24.43 C ATOM 1429 C ASN A 91 2.383 0.535 11.355 1.00 35.12 C ATOM 1430 O ASN A 91 1.536 0.046 10.609 1.00 54.00 O ATOM 1431 CB ASN A 91 0.567 1.121 12.974 1.00 11.11 C ATOM 1432 CG ASN A 91 0.411 1.281 14.475 1.00 50.22 C ATOM 1433 OD1 ASN A 91 -0.264 2.197 14.945 1.00 31.44 O ATOM 1434 ND2 ASN A 91 1.038 0.389 15.233 1.00 72.12 N ATOM 0 H ASN A 91 1.135 3.280 11.864 1.00 44.35 H new ATOM 0 HA ASN A 91 2.679 1.330 13.317 1.00 24.43 H new ATOM 0 HB2 ASN A 91 -0.154 1.762 12.466 1.00 11.11 H new ATOM 0 HB3 ASN A 91 0.333 0.094 12.695 1.00 11.11 H new ATOM 0 HD21 ASN A 91 0.971 0.446 16.249 1.00 72.12 H new ATOM 0 HD22 ASN A 91 1.586 -0.353 14.799 1.00 72.12 H new ATOM 1441 N GLY A 92 3.684 0.294 11.228 1.00 14.15 N ATOM 1442 CA GLY A 92 4.178 -0.578 10.179 1.00 54.53 C ATOM 1443 C GLY A 92 3.476 -1.921 10.163 1.00 32.11 C ATOM 1444 O GLY A 92 3.090 -2.414 9.103 1.00 13.51 O ATOM 0 H GLY A 92 4.405 0.687 11.833 1.00 14.15 H new ATOM 0 HA2 GLY A 92 4.045 -0.091 9.213 1.00 54.53 H new ATOM 0 HA3 GLY A 92 5.249 -0.733 10.314 1.00 54.53 H new ATOM 1448 N GLU A 93 3.311 -2.516 11.340 1.00 41.51 N ATOM 1449 CA GLU A 93 2.652 -3.811 11.456 1.00 65.32 C ATOM 1450 C GLU A 93 1.263 -3.774 10.825 1.00 21.34 C ATOM 1451 O GLU A 93 0.913 -4.632 10.014 1.00 4.32 O ATOM 1452 CB GLU A 93 2.547 -4.226 12.925 1.00 65.12 C ATOM 1453 CG GLU A 93 2.045 -5.646 13.122 1.00 72.41 C ATOM 1454 CD GLU A 93 1.577 -5.909 14.540 1.00 10.31 C ATOM 1455 OE1 GLU A 93 1.908 -5.100 15.433 1.00 32.20 O ATOM 1456 OE2 GLU A 93 0.880 -6.922 14.757 1.00 62.25 O ATOM 0 H GLU A 93 3.625 -2.122 12.227 1.00 41.51 H new ATOM 0 HA GLU A 93 3.255 -4.545 10.921 1.00 65.32 H new ATOM 0 HB2 GLU A 93 3.527 -4.128 13.392 1.00 65.12 H new ATOM 0 HB3 GLU A 93 1.877 -3.538 13.441 1.00 65.12 H new ATOM 0 HG2 GLU A 93 1.223 -5.836 12.431 1.00 72.41 H new ATOM 0 HG3 GLU A 93 2.841 -6.347 12.870 1.00 72.41 H new ATOM 1463 N LYS A 94 0.475 -2.774 11.205 1.00 42.30 N ATOM 1464 CA LYS A 94 -0.876 -2.621 10.678 1.00 31.50 C ATOM 1465 C LYS A 94 -0.851 -2.403 9.169 1.00 44.32 C ATOM 1466 O LYS A 94 -1.720 -2.888 8.446 1.00 31.02 O ATOM 1467 CB LYS A 94 -1.584 -1.450 11.362 1.00 4.40 C ATOM 1468 CG LYS A 94 -1.718 -1.615 12.866 1.00 71.11 C ATOM 1469 CD LYS A 94 -3.133 -2.005 13.260 1.00 3.21 C ATOM 1470 CE LYS A 94 -3.140 -2.923 14.473 1.00 61.22 C ATOM 1471 NZ LYS A 94 -3.980 -4.133 14.248 1.00 42.23 N ATOM 0 H LYS A 94 0.749 -2.057 11.877 1.00 42.30 H new ATOM 0 HA LYS A 94 -1.425 -3.540 10.885 1.00 31.50 H new ATOM 0 HB2 LYS A 94 -1.035 -0.532 11.153 1.00 4.40 H new ATOM 0 HB3 LYS A 94 -2.577 -1.333 10.928 1.00 4.40 H new ATOM 0 HG2 LYS A 94 -1.020 -2.377 13.213 1.00 71.11 H new ATOM 0 HG3 LYS A 94 -1.445 -0.683 13.361 1.00 71.11 H new ATOM 0 HD2 LYS A 94 -3.712 -1.107 13.478 1.00 3.21 H new ATOM 0 HD3 LYS A 94 -3.621 -2.503 12.422 1.00 3.21 H new ATOM 0 HE2 LYS A 94 -2.119 -3.227 14.704 1.00 61.22 H new ATOM 0 HE3 LYS A 94 -3.514 -2.377 15.339 1.00 61.22 H new ATOM 0 HZ1 LYS A 94 -3.959 -4.733 15.097 1.00 42.23 H new ATOM 0 HZ2 LYS A 94 -4.960 -3.844 14.052 1.00 42.23 H new ATOM 0 HZ3 LYS A 94 -3.608 -4.668 13.437 1.00 42.23 H new ATOM 1485 N VAL A 95 0.154 -1.669 8.699 1.00 64.11 N ATOM 1486 CA VAL A 95 0.295 -1.388 7.276 1.00 74.34 C ATOM 1487 C VAL A 95 0.515 -2.671 6.481 1.00 3.12 C ATOM 1488 O VAL A 95 -0.337 -3.080 5.692 1.00 2.24 O ATOM 1489 CB VAL A 95 1.465 -0.423 7.007 1.00 54.24 C ATOM 1490 CG1 VAL A 95 1.563 -0.102 5.523 1.00 74.42 C ATOM 1491 CG2 VAL A 95 1.303 0.849 7.825 1.00 4.22 C ATOM 0 H VAL A 95 0.882 -1.259 9.284 1.00 64.11 H new ATOM 0 HA VAL A 95 -0.634 -0.919 6.953 1.00 74.34 H new ATOM 0 HB VAL A 95 2.392 -0.909 7.311 1.00 54.24 H new ATOM 0 HG11 VAL A 95 2.395 0.581 5.353 1.00 74.42 H new ATOM 0 HG12 VAL A 95 1.728 -1.022 4.962 1.00 74.42 H new ATOM 0 HG13 VAL A 95 0.636 0.365 5.190 1.00 74.42 H new ATOM 0 HG21 VAL A 95 2.138 1.520 7.623 1.00 4.22 H new ATOM 0 HG22 VAL A 95 0.369 1.340 7.553 1.00 4.22 H new ATOM 0 HG23 VAL A 95 1.286 0.600 8.886 1.00 4.22 H new ATOM 1501 N LEU A 96 1.665 -3.301 6.695 1.00 70.41 N ATOM 1502 CA LEU A 96 2.000 -4.539 5.999 1.00 54.11 C ATOM 1503 C LEU A 96 0.878 -5.563 6.140 1.00 60.12 C ATOM 1504 O LEU A 96 0.444 -6.160 5.156 1.00 34.31 O ATOM 1505 CB LEU A 96 3.305 -5.118 6.545 1.00 4.51 C ATOM 1506 CG LEU A 96 3.402 -5.237 8.067 1.00 41.53 C ATOM 1507 CD1 LEU A 96 3.122 -6.664 8.510 1.00 70.43 C ATOM 1508 CD2 LEU A 96 4.773 -4.786 8.552 1.00 53.44 C ATOM 0 H LEU A 96 2.381 -2.975 7.344 1.00 70.41 H new ATOM 0 HA LEU A 96 2.127 -4.309 4.941 1.00 54.11 H new ATOM 0 HB2 LEU A 96 3.448 -6.109 6.113 1.00 4.51 H new ATOM 0 HB3 LEU A 96 4.129 -4.496 6.196 1.00 4.51 H new ATOM 0 HG LEU A 96 2.649 -4.586 8.511 1.00 41.53 H new ATOM 0 HD11 LEU A 96 3.196 -6.729 9.596 1.00 70.43 H new ATOM 0 HD12 LEU A 96 2.119 -6.952 8.196 1.00 70.43 H new ATOM 0 HD13 LEU A 96 3.851 -7.336 8.056 1.00 70.43 H new ATOM 0 HD21 LEU A 96 4.823 -4.878 9.637 1.00 53.44 H new ATOM 0 HD22 LEU A 96 5.543 -5.411 8.099 1.00 53.44 H new ATOM 0 HD23 LEU A 96 4.936 -3.746 8.268 1.00 53.44 H new ATOM 1520 N GLN A 97 0.413 -5.758 7.369 1.00 21.15 N ATOM 1521 CA GLN A 97 -0.659 -6.709 7.639 1.00 12.31 C ATOM 1522 C GLN A 97 -1.866 -6.435 6.747 1.00 61.32 C ATOM 1523 O GLN A 97 -2.378 -7.338 6.083 1.00 23.25 O ATOM 1524 CB GLN A 97 -1.073 -6.640 9.111 1.00 65.35 C ATOM 1525 CG GLN A 97 -0.147 -7.409 10.038 1.00 32.24 C ATOM 1526 CD GLN A 97 0.032 -8.855 9.618 1.00 52.31 C ATOM 1527 OE1 GLN A 97 1.149 -9.374 9.600 1.00 33.01 O ATOM 1528 NE2 GLN A 97 -1.069 -9.513 9.278 1.00 20.31 N ATOM 0 H GLN A 97 0.762 -5.270 8.194 1.00 21.15 H new ATOM 0 HA GLN A 97 -0.286 -7.710 7.420 1.00 12.31 H new ATOM 0 HB2 GLN A 97 -1.102 -5.596 9.423 1.00 65.35 H new ATOM 0 HB3 GLN A 97 -2.085 -7.032 9.214 1.00 65.35 H new ATOM 0 HG2 GLN A 97 0.826 -6.919 10.062 1.00 32.24 H new ATOM 0 HG3 GLN A 97 -0.545 -7.376 11.052 1.00 32.24 H new ATOM 0 HE21 GLN A 97 -1.974 -9.043 9.308 1.00 20.31 H new ATOM 0 HE22 GLN A 97 -1.011 -10.489 8.987 1.00 20.31 H new ATOM 1537 N LEU A 98 -2.315 -5.185 6.734 1.00 12.12 N ATOM 1538 CA LEU A 98 -3.461 -4.792 5.923 1.00 73.54 C ATOM 1539 C LEU A 98 -3.233 -5.137 4.454 1.00 53.33 C ATOM 1540 O LEU A 98 -4.075 -5.769 3.816 1.00 3.00 O ATOM 1541 CB LEU A 98 -3.728 -3.294 6.072 1.00 51.11 C ATOM 1542 CG LEU A 98 -5.119 -2.814 5.655 1.00 73.34 C ATOM 1543 CD1 LEU A 98 -6.174 -3.333 6.619 1.00 33.04 C ATOM 1544 CD2 LEU A 98 -5.160 -1.295 5.583 1.00 0.15 C ATOM 0 H LEU A 98 -1.902 -4.426 7.276 1.00 12.12 H new ATOM 0 HA LEU A 98 -4.331 -5.346 6.276 1.00 73.54 H new ATOM 0 HB2 LEU A 98 -3.568 -3.019 7.115 1.00 51.11 H new ATOM 0 HB3 LEU A 98 -2.987 -2.753 5.483 1.00 51.11 H new ATOM 0 HG LEU A 98 -5.337 -3.210 4.663 1.00 73.34 H new ATOM 0 HD11 LEU A 98 -7.157 -2.981 6.306 1.00 33.04 H new ATOM 0 HD12 LEU A 98 -6.162 -4.423 6.619 1.00 33.04 H new ATOM 0 HD13 LEU A 98 -5.960 -2.967 7.623 1.00 33.04 H new ATOM 0 HD21 LEU A 98 -6.157 -0.972 5.285 1.00 0.15 H new ATOM 0 HD22 LEU A 98 -4.921 -0.878 6.561 1.00 0.15 H new ATOM 0 HD23 LEU A 98 -4.431 -0.946 4.851 1.00 0.15 H new ATOM 1556 N ALA A 99 -2.089 -4.717 3.925 1.00 43.34 N ATOM 1557 CA ALA A 99 -1.747 -4.984 2.533 1.00 23.44 C ATOM 1558 C ALA A 99 -1.888 -6.468 2.208 1.00 5.14 C ATOM 1559 O ALA A 99 -2.506 -6.838 1.210 1.00 65.34 O ATOM 1560 CB ALA A 99 -0.332 -4.509 2.236 1.00 54.35 C ATOM 0 H ALA A 99 -1.383 -4.190 4.439 1.00 43.34 H new ATOM 0 HA ALA A 99 -2.443 -4.432 1.902 1.00 23.44 H new ATOM 0 HB1 ALA A 99 -0.090 -4.715 1.193 1.00 54.35 H new ATOM 0 HB2 ALA A 99 -0.262 -3.437 2.420 1.00 54.35 H new ATOM 0 HB3 ALA A 99 0.371 -5.035 2.882 1.00 54.35 H new ATOM 1566 N ILE A 100 -1.309 -7.311 3.056 1.00 12.13 N ATOM 1567 CA ILE A 100 -1.371 -8.755 2.859 1.00 13.40 C ATOM 1568 C ILE A 100 -2.815 -9.242 2.818 1.00 21.41 C ATOM 1569 O ILE A 100 -3.223 -9.929 1.883 1.00 20.21 O ATOM 1570 CB ILE A 100 -0.618 -9.507 3.971 1.00 22.45 C ATOM 1571 CG1 ILE A 100 0.849 -9.075 4.006 1.00 65.42 C ATOM 1572 CG2 ILE A 100 -0.727 -11.010 3.762 1.00 55.12 C ATOM 1573 CD1 ILE A 100 1.393 -8.891 5.405 1.00 12.15 C ATOM 0 H ILE A 100 -0.792 -7.020 3.886 1.00 12.13 H new ATOM 0 HA ILE A 100 -0.892 -8.964 1.902 1.00 13.40 H new ATOM 0 HB ILE A 100 -1.074 -9.259 4.929 1.00 22.45 H new ATOM 0 HG12 ILE A 100 1.451 -9.820 3.486 1.00 65.42 H new ATOM 0 HG13 ILE A 100 0.957 -8.139 3.457 1.00 65.42 H new ATOM 0 HG21 ILE A 100 -0.189 -11.528 4.556 1.00 55.12 H new ATOM 0 HG22 ILE A 100 -1.776 -11.305 3.782 1.00 55.12 H new ATOM 0 HG23 ILE A 100 -0.294 -11.276 2.798 1.00 55.12 H new ATOM 0 HD11 ILE A 100 2.438 -8.585 5.352 1.00 12.15 H new ATOM 0 HD12 ILE A 100 0.816 -8.124 5.922 1.00 12.15 H new ATOM 0 HD13 ILE A 100 1.318 -9.831 5.951 1.00 12.15 H new ATOM 1585 N ASN A 101 -3.585 -8.881 3.840 1.00 55.24 N ATOM 1586 CA ASN A 101 -4.985 -9.281 3.921 1.00 42.54 C ATOM 1587 C ASN A 101 -5.729 -8.921 2.638 1.00 63.12 C ATOM 1588 O ASN A 101 -6.456 -9.741 2.078 1.00 33.42 O ATOM 1589 CB ASN A 101 -5.660 -8.612 5.119 1.00 52.41 C ATOM 1590 CG ASN A 101 -5.324 -9.297 6.430 1.00 71.44 C ATOM 1591 OD1 ASN A 101 -5.589 -10.486 6.606 1.00 14.02 O ATOM 1592 ND2 ASN A 101 -4.738 -8.548 7.356 1.00 43.41 N ATOM 0 H ASN A 101 -3.263 -8.312 4.623 1.00 55.24 H new ATOM 0 HA ASN A 101 -5.021 -10.363 4.050 1.00 42.54 H new ATOM 0 HB2 ASN A 101 -5.353 -7.567 5.169 1.00 52.41 H new ATOM 0 HB3 ASN A 101 -6.740 -8.620 4.975 1.00 52.41 H new ATOM 0 HD21 ASN A 101 -4.488 -8.954 8.258 1.00 43.41 H new ATOM 0 HD22 ASN A 101 -4.537 -7.566 7.166 1.00 43.41 H new ATOM 1599 N ALA A 102 -5.540 -7.690 2.176 1.00 44.11 N ATOM 1600 CA ALA A 102 -6.190 -7.221 0.958 1.00 31.34 C ATOM 1601 C ALA A 102 -5.724 -8.021 -0.255 1.00 21.13 C ATOM 1602 O ALA A 102 -6.508 -8.312 -1.157 1.00 54.20 O ATOM 1603 CB ALA A 102 -5.919 -5.739 0.751 1.00 22.41 C ATOM 0 H ALA A 102 -4.941 -6.998 2.627 1.00 44.11 H new ATOM 0 HA ALA A 102 -7.264 -7.370 1.069 1.00 31.34 H new ATOM 0 HB1 ALA A 102 -6.411 -5.403 -0.162 1.00 22.41 H new ATOM 0 HB2 ALA A 102 -6.307 -5.176 1.600 1.00 22.41 H new ATOM 0 HB3 ALA A 102 -4.845 -5.574 0.667 1.00 22.41 H new ATOM 1609 N PHE A 103 -4.442 -8.372 -0.269 1.00 31.02 N ATOM 1610 CA PHE A 103 -3.871 -9.137 -1.372 1.00 52.12 C ATOM 1611 C PHE A 103 -4.553 -10.496 -1.501 1.00 74.20 C ATOM 1612 O PHE A 103 -5.069 -10.845 -2.563 1.00 1.32 O ATOM 1613 CB PHE A 103 -2.368 -9.325 -1.165 1.00 62.30 C ATOM 1614 CG PHE A 103 -1.715 -10.157 -2.232 1.00 62.32 C ATOM 1615 CD1 PHE A 103 -1.665 -9.711 -3.543 1.00 54.40 C ATOM 1616 CD2 PHE A 103 -1.151 -11.385 -1.925 1.00 54.53 C ATOM 1617 CE1 PHE A 103 -1.066 -10.473 -4.528 1.00 5.23 C ATOM 1618 CE2 PHE A 103 -0.550 -12.152 -2.905 1.00 41.35 C ATOM 1619 CZ PHE A 103 -0.509 -11.695 -4.208 1.00 4.01 C ATOM 0 H PHE A 103 -3.779 -8.139 0.470 1.00 31.02 H new ATOM 0 HA PHE A 103 -4.036 -8.579 -2.293 1.00 52.12 H new ATOM 0 HB2 PHE A 103 -1.888 -8.347 -1.134 1.00 62.30 H new ATOM 0 HB3 PHE A 103 -2.199 -9.794 -0.196 1.00 62.30 H new ATOM 0 HD1 PHE A 103 -2.100 -8.756 -3.798 1.00 54.40 H new ATOM 0 HD2 PHE A 103 -1.181 -11.747 -0.908 1.00 54.53 H new ATOM 0 HE1 PHE A 103 -1.034 -10.113 -5.546 1.00 5.23 H new ATOM 0 HE2 PHE A 103 -0.113 -13.107 -2.653 1.00 41.35 H new ATOM 0 HZ PHE A 103 -0.041 -12.293 -4.976 1.00 4.01 H new ATOM 1629 N ASN A 104 -4.550 -11.259 -0.413 1.00 70.20 N ATOM 1630 CA ASN A 104 -5.167 -12.580 -0.405 1.00 12.02 C ATOM 1631 C ASN A 104 -6.674 -12.479 -0.616 1.00 14.45 C ATOM 1632 O ASN A 104 -7.271 -13.300 -1.311 1.00 72.34 O ATOM 1633 CB ASN A 104 -4.872 -13.295 0.916 1.00 75.23 C ATOM 1634 CG ASN A 104 -3.414 -13.688 1.048 1.00 44.15 C ATOM 1635 OD1 ASN A 104 -2.878 -14.417 0.212 1.00 51.32 O ATOM 1636 ND2 ASN A 104 -2.765 -13.207 2.101 1.00 23.31 N ATOM 0 H ASN A 104 -4.127 -10.985 0.474 1.00 70.20 H new ATOM 0 HA ASN A 104 -4.742 -13.157 -1.226 1.00 12.02 H new ATOM 0 HB2 ASN A 104 -5.147 -12.645 1.747 1.00 75.23 H new ATOM 0 HB3 ASN A 104 -5.494 -14.187 0.990 1.00 75.23 H new ATOM 0 HD21 ASN A 104 -1.782 -13.438 2.243 1.00 23.31 H new ATOM 0 HD22 ASN A 104 -3.250 -12.606 2.768 1.00 23.31 H new ATOM 1643 N ASN A 105 -7.284 -11.464 -0.011 1.00 21.23 N ATOM 1644 CA ASN A 105 -8.722 -11.254 -0.133 1.00 73.32 C ATOM 1645 C ASN A 105 -9.100 -10.893 -1.566 1.00 31.42 C ATOM 1646 O ASN A 105 -10.176 -11.253 -2.046 1.00 4.50 O ATOM 1647 CB ASN A 105 -9.180 -10.149 0.821 1.00 21.13 C ATOM 1648 CG ASN A 105 -10.677 -9.916 0.760 1.00 62.55 C ATOM 1649 OD1 ASN A 105 -11.460 -10.860 0.646 1.00 42.43 O ATOM 1650 ND2 ASN A 105 -11.083 -8.654 0.835 1.00 2.41 N ATOM 0 H ASN A 105 -6.805 -10.775 0.568 1.00 21.23 H new ATOM 0 HA ASN A 105 -9.223 -12.185 0.132 1.00 73.32 H new ATOM 0 HB2 ASN A 105 -8.897 -10.413 1.840 1.00 21.13 H new ATOM 0 HB3 ASN A 105 -8.661 -9.223 0.576 1.00 21.13 H new ATOM 0 HD21 ASN A 105 -12.079 -8.436 0.799 1.00 2.41 H new ATOM 0 HD22 ASN A 105 -10.399 -7.903 0.929 1.00 2.41 H new ATOM 1657 N LYS A 106 -8.208 -10.182 -2.246 1.00 40.32 N ATOM 1658 CA LYS A 106 -8.445 -9.772 -3.625 1.00 61.33 C ATOM 1659 C LYS A 106 -9.709 -8.926 -3.732 1.00 60.15 C ATOM 1660 O LYS A 106 -10.325 -8.584 -2.723 1.00 13.21 O ATOM 1661 CB LYS A 106 -8.562 -11.002 -4.530 1.00 2.22 C ATOM 1662 CG LYS A 106 -7.371 -11.939 -4.440 1.00 44.24 C ATOM 1663 CD LYS A 106 -7.651 -13.264 -5.127 1.00 60.41 C ATOM 1664 CE LYS A 106 -6.652 -14.332 -4.709 1.00 23.44 C ATOM 1665 NZ LYS A 106 -7.152 -15.705 -5.000 1.00 1.35 N ATOM 0 H LYS A 106 -7.313 -9.877 -1.864 1.00 40.32 H new ATOM 0 HA LYS A 106 -7.598 -9.168 -3.950 1.00 61.33 H new ATOM 0 HB2 LYS A 106 -9.466 -11.551 -4.267 1.00 2.22 H new ATOM 0 HB3 LYS A 106 -8.678 -10.673 -5.563 1.00 2.22 H new ATOM 0 HG2 LYS A 106 -6.501 -11.468 -4.897 1.00 44.24 H new ATOM 0 HG3 LYS A 106 -7.124 -12.116 -3.393 1.00 44.24 H new ATOM 0 HD2 LYS A 106 -8.661 -13.594 -4.884 1.00 60.41 H new ATOM 0 HD3 LYS A 106 -7.611 -13.130 -6.208 1.00 60.41 H new ATOM 0 HE2 LYS A 106 -5.709 -14.171 -5.231 1.00 23.44 H new ATOM 0 HE3 LYS A 106 -6.446 -14.239 -3.643 1.00 23.44 H new ATOM 0 HZ1 LYS A 106 -6.442 -16.404 -4.700 1.00 1.35 H new ATOM 0 HZ2 LYS A 106 -8.039 -15.869 -4.482 1.00 1.35 H new ATOM 0 HZ3 LYS A 106 -7.324 -15.803 -6.021 1.00 1.35 H new