USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 618 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 GLN :FLIP amide:sc= -0.734 F(o=-4.3,f=-2.8) USER MOD Set 1.2: A 69 MET CE :methyl -169:sc= -2.11 (180deg=-2.31) USER MOD Set 2.1: A 1 MET N :NH3+ -129:sc= 0.382 (180deg=-0.585) USER MOD Set 2.2: A 2 GLN : amide:sc= -0.664 K(o=-0.28,f=-3.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 57:sc= 0.704 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 148:sc= -0.256 (180deg=-1.53!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 20:sc= 0.596! USER MOD Single : A 17 THR OG1 : rot 42:sc= -1.86 USER MOD Single : A 22 THR OG1 : rot 16:sc= 0.1 USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= -0.111 (180deg=-0.352) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.443 K(o=-0.44,f=-3.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -169:sc= -0.0114 (180deg=-0.147) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0437 USER MOD Single : A 56 MET CE :methyl -108:sc= -1.45 (180deg=-6.35!) USER MOD Single : A 59 TYR OH : rot 49:sc= 0.701 USER MOD Single : A 60 ASN : amide:sc= -0.0515 K(o=-0.052,f=-0.95) USER MOD Single : A 62 GLN : amide:sc= -0.0664 K(o=-0.066,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 64:sc= 0.681 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.499 0.654 -1.159 1.00 45.52 N ATOM 2 CA MET A 1 3.657 0.303 -1.974 1.00 11.31 C ATOM 3 C MET A 1 3.949 -1.191 -1.887 1.00 64.32 C ATOM 4 O MET A 1 5.079 -1.596 -1.615 1.00 63.23 O ATOM 5 CB MET A 1 4.883 1.102 -1.527 1.00 61.40 C ATOM 6 CG MET A 1 4.746 2.600 -1.746 1.00 70.52 C ATOM 7 SD MET A 1 5.800 3.562 -0.645 1.00 4.01 S ATOM 8 CE MET A 1 4.801 3.591 0.841 1.00 21.32 C ATOM 0 H1 MET A 1 1.826 1.204 -1.730 1.00 45.52 H new ATOM 0 H2 MET A 1 2.037 -0.214 -0.820 1.00 45.52 H new ATOM 0 H3 MET A 1 2.807 1.223 -0.345 1.00 45.52 H new ATOM 0 HA MET A 1 3.430 0.551 -3.011 1.00 11.31 H new ATOM 0 HB2 MET A 1 5.063 0.913 -0.469 1.00 61.40 H new ATOM 0 HB3 MET A 1 5.758 0.743 -2.069 1.00 61.40 H new ATOM 0 HG2 MET A 1 4.996 2.836 -2.780 1.00 70.52 H new ATOM 0 HG3 MET A 1 3.707 2.892 -1.595 1.00 70.52 H new ATOM 0 HE1 MET A 1 5.320 4.152 1.618 1.00 21.32 H new ATOM 0 HE2 MET A 1 3.844 4.068 0.627 1.00 21.32 H new ATOM 0 HE3 MET A 1 4.629 2.571 1.184 1.00 21.32 H new ATOM 18 N GLN A 2 2.924 -2.005 -2.120 1.00 4.24 N ATOM 19 CA GLN A 2 3.073 -3.454 -2.066 1.00 70.43 C ATOM 20 C GLN A 2 2.686 -4.091 -3.397 1.00 53.42 C ATOM 21 O GLN A 2 1.790 -3.607 -4.090 1.00 0.31 O ATOM 22 CB GLN A 2 2.215 -4.035 -0.941 1.00 31.10 C ATOM 23 CG GLN A 2 0.723 -3.827 -1.144 1.00 71.14 C ATOM 24 CD GLN A 2 0.274 -2.426 -0.780 1.00 40.33 C ATOM 25 OE1 GLN A 2 0.960 -1.712 -0.048 1.00 64.02 O ATOM 26 NE2 GLN A 2 -0.884 -2.023 -1.291 1.00 21.21 N ATOM 0 H GLN A 2 1.982 -1.686 -2.348 1.00 4.24 H new ATOM 0 HA GLN A 2 4.121 -3.679 -1.867 1.00 70.43 H new ATOM 0 HB2 GLN A 2 2.416 -5.103 -0.856 1.00 31.10 H new ATOM 0 HB3 GLN A 2 2.512 -3.579 0.003 1.00 31.10 H new ATOM 0 HG2 GLN A 2 0.471 -4.026 -2.186 1.00 71.14 H new ATOM 0 HG3 GLN A 2 0.174 -4.549 -0.539 1.00 71.14 H new ATOM 0 HE21 GLN A 2 -1.421 -2.647 -1.893 1.00 21.21 H new ATOM 0 HE22 GLN A 2 -1.237 -1.089 -1.081 1.00 21.21 H new ATOM 35 N ILE A 3 3.366 -5.177 -3.748 1.00 51.43 N ATOM 36 CA ILE A 3 3.092 -5.879 -4.996 1.00 10.12 C ATOM 37 C ILE A 3 3.177 -7.390 -4.806 1.00 42.44 C ATOM 38 O ILE A 3 3.619 -7.871 -3.763 1.00 70.31 O ATOM 39 CB ILE A 3 4.071 -5.456 -6.107 1.00 3.03 C ATOM 40 CG1 ILE A 3 5.385 -6.231 -5.981 1.00 12.43 C ATOM 41 CG2 ILE A 3 4.326 -3.957 -6.046 1.00 30.31 C ATOM 42 CD1 ILE A 3 6.029 -6.110 -4.617 1.00 72.43 C ATOM 0 H ILE A 3 4.110 -5.590 -3.186 1.00 51.43 H new ATOM 0 HA ILE A 3 2.079 -5.609 -5.295 1.00 10.12 H new ATOM 0 HB ILE A 3 3.624 -5.690 -7.073 1.00 3.03 H new ATOM 0 HG12 ILE A 3 5.199 -7.284 -6.194 1.00 12.43 H new ATOM 0 HG13 ILE A 3 6.083 -5.872 -6.737 1.00 12.43 H new ATOM 0 HG21 ILE A 3 5.020 -3.673 -6.837 1.00 30.31 H new ATOM 0 HG22 ILE A 3 3.386 -3.422 -6.179 1.00 30.31 H new ATOM 0 HG23 ILE A 3 4.756 -3.700 -5.078 1.00 30.31 H new ATOM 0 HD11 ILE A 3 6.955 -6.684 -4.600 1.00 72.43 H new ATOM 0 HD12 ILE A 3 6.247 -5.062 -4.409 1.00 72.43 H new ATOM 0 HD13 ILE A 3 5.349 -6.496 -3.858 1.00 72.43 H new ATOM 54 N PHE A 4 2.753 -8.133 -5.823 1.00 50.32 N ATOM 55 CA PHE A 4 2.782 -9.590 -5.770 1.00 10.34 C ATOM 56 C PHE A 4 3.994 -10.137 -6.517 1.00 60.44 C ATOM 57 O PHE A 4 4.365 -9.629 -7.576 1.00 70.40 O ATOM 58 CB PHE A 4 1.497 -10.169 -6.365 1.00 11.31 C ATOM 59 CG PHE A 4 0.358 -10.230 -5.388 1.00 11.33 C ATOM 60 CD1 PHE A 4 -0.330 -11.414 -5.178 1.00 22.00 C ATOM 61 CD2 PHE A 4 -0.025 -9.102 -4.679 1.00 73.31 C ATOM 62 CE1 PHE A 4 -1.378 -11.474 -4.279 1.00 52.31 C ATOM 63 CE2 PHE A 4 -1.072 -9.156 -3.779 1.00 15.03 C ATOM 64 CZ PHE A 4 -1.751 -10.343 -3.579 1.00 44.34 C ATOM 0 H PHE A 4 2.385 -7.750 -6.694 1.00 50.32 H new ATOM 0 HA PHE A 4 2.856 -9.889 -4.725 1.00 10.34 H new ATOM 0 HB2 PHE A 4 1.198 -9.565 -7.222 1.00 11.31 H new ATOM 0 HB3 PHE A 4 1.699 -11.173 -6.738 1.00 11.31 H new ATOM 0 HD1 PHE A 4 -0.044 -12.301 -5.724 1.00 22.00 H new ATOM 0 HD2 PHE A 4 0.501 -8.171 -4.832 1.00 73.31 H new ATOM 0 HE1 PHE A 4 -1.905 -12.404 -4.124 1.00 52.31 H new ATOM 0 HE2 PHE A 4 -1.360 -8.271 -3.232 1.00 15.03 H new ATOM 0 HZ PHE A 4 -2.571 -10.386 -2.877 1.00 44.34 H new ATOM 74 N ILE A 5 4.607 -11.176 -5.959 1.00 13.32 N ATOM 75 CA ILE A 5 5.776 -11.793 -6.572 1.00 41.33 C ATOM 76 C ILE A 5 5.589 -13.299 -6.720 1.00 1.11 C ATOM 77 O ILE A 5 5.310 -14.000 -5.747 1.00 5.33 O ATOM 78 CB ILE A 5 7.051 -11.523 -5.751 1.00 72.02 C ATOM 79 CG1 ILE A 5 7.259 -10.018 -5.572 1.00 2.12 C ATOM 80 CG2 ILE A 5 8.259 -12.154 -6.427 1.00 3.31 C ATOM 81 CD1 ILE A 5 6.760 -9.493 -4.244 1.00 5.04 C ATOM 0 H ILE A 5 4.313 -11.608 -5.083 1.00 13.32 H new ATOM 0 HA ILE A 5 5.888 -11.345 -7.559 1.00 41.33 H new ATOM 0 HB ILE A 5 6.934 -11.974 -4.766 1.00 72.02 H new ATOM 0 HG12 ILE A 5 8.321 -9.792 -5.667 1.00 2.12 H new ATOM 0 HG13 ILE A 5 6.748 -9.490 -6.377 1.00 2.12 H new ATOM 0 HG21 ILE A 5 9.152 -11.955 -5.835 1.00 3.31 H new ATOM 0 HG22 ILE A 5 8.110 -13.231 -6.507 1.00 3.31 H new ATOM 0 HG23 ILE A 5 8.382 -11.729 -7.423 1.00 3.31 H new ATOM 0 HD11 ILE A 5 6.940 -8.420 -4.186 1.00 5.04 H new ATOM 0 HD12 ILE A 5 5.691 -9.687 -4.154 1.00 5.04 H new ATOM 0 HD13 ILE A 5 7.289 -9.994 -3.433 1.00 5.04 H new ATOM 93 N LYS A 6 5.746 -13.792 -7.944 1.00 10.22 N ATOM 94 CA LYS A 6 5.598 -15.216 -8.220 1.00 50.24 C ATOM 95 C LYS A 6 6.949 -15.854 -8.528 1.00 50.51 C ATOM 96 O LYS A 6 7.745 -15.309 -9.293 1.00 42.44 O ATOM 97 CB LYS A 6 4.641 -15.431 -9.395 1.00 60.31 C ATOM 98 CG LYS A 6 4.289 -16.890 -9.633 1.00 41.52 C ATOM 99 CD LYS A 6 3.256 -17.041 -10.737 1.00 50.21 C ATOM 100 CE LYS A 6 3.343 -18.407 -11.399 1.00 65.40 C ATOM 101 NZ LYS A 6 2.629 -18.438 -12.705 1.00 53.11 N ATOM 0 H LYS A 6 5.976 -13.226 -8.761 1.00 10.22 H new ATOM 0 HA LYS A 6 5.186 -15.692 -7.331 1.00 50.24 H new ATOM 0 HB2 LYS A 6 3.724 -14.870 -9.214 1.00 60.31 H new ATOM 0 HB3 LYS A 6 5.092 -15.022 -10.299 1.00 60.31 H new ATOM 0 HG2 LYS A 6 5.190 -17.444 -9.898 1.00 41.52 H new ATOM 0 HG3 LYS A 6 3.905 -17.328 -8.712 1.00 41.52 H new ATOM 0 HD2 LYS A 6 2.257 -16.899 -10.324 1.00 50.21 H new ATOM 0 HD3 LYS A 6 3.405 -16.263 -11.485 1.00 50.21 H new ATOM 0 HE2 LYS A 6 4.390 -18.671 -11.551 1.00 65.40 H new ATOM 0 HE3 LYS A 6 2.918 -19.160 -10.735 1.00 65.40 H new ATOM 0 HZ1 LYS A 6 2.712 -19.386 -13.124 1.00 53.11 H new ATOM 0 HZ2 LYS A 6 1.625 -18.212 -12.557 1.00 53.11 H new ATOM 0 HZ3 LYS A 6 3.051 -17.738 -13.348 1.00 53.11 H new ATOM 115 N THR A 7 7.202 -17.013 -7.928 1.00 13.41 N ATOM 116 CA THR A 7 8.456 -17.725 -8.138 1.00 12.30 C ATOM 117 C THR A 7 8.235 -19.003 -8.939 1.00 11.15 C ATOM 118 O THR A 7 7.098 -19.425 -9.152 1.00 74.04 O ATOM 119 CB THR A 7 9.131 -18.081 -6.800 1.00 12.41 C ATOM 120 OG1 THR A 7 10.414 -18.668 -7.040 1.00 24.23 O ATOM 121 CG2 THR A 7 8.268 -19.044 -5.998 1.00 43.32 C ATOM 0 H THR A 7 6.554 -17.479 -7.292 1.00 13.41 H new ATOM 0 HA THR A 7 9.109 -17.056 -8.699 1.00 12.30 H new ATOM 0 HB THR A 7 9.254 -17.164 -6.225 1.00 12.41 H new ATOM 0 HG1 THR A 7 10.962 -18.052 -7.570 1.00 24.23 H new ATOM 0 HG21 THR A 7 8.765 -19.281 -5.057 1.00 43.32 H new ATOM 0 HG22 THR A 7 7.303 -18.582 -5.792 1.00 43.32 H new ATOM 0 HG23 THR A 7 8.117 -19.960 -6.570 1.00 43.32 H new ATOM 129 N LEU A 8 9.328 -19.616 -9.379 1.00 21.14 N ATOM 130 CA LEU A 8 9.254 -20.848 -10.156 1.00 33.42 C ATOM 131 C LEU A 8 8.528 -21.941 -9.377 1.00 12.42 C ATOM 132 O LEU A 8 7.993 -22.884 -9.960 1.00 54.01 O ATOM 133 CB LEU A 8 10.658 -21.323 -10.532 1.00 44.44 C ATOM 134 CG LEU A 8 10.762 -22.748 -11.076 1.00 44.12 C ATOM 135 CD1 LEU A 8 9.997 -22.877 -12.384 1.00 62.41 C ATOM 136 CD2 LEU A 8 12.220 -23.141 -11.268 1.00 1.40 C ATOM 0 H LEU A 8 10.276 -19.280 -9.211 1.00 21.14 H new ATOM 0 HA LEU A 8 8.691 -20.640 -11.066 1.00 33.42 H new ATOM 0 HB2 LEU A 8 11.063 -20.640 -11.279 1.00 44.44 H new ATOM 0 HB3 LEU A 8 11.294 -21.245 -9.650 1.00 44.44 H new ATOM 0 HG LEU A 8 10.316 -23.427 -10.349 1.00 44.12 H new ATOM 0 HD11 LEU A 8 10.082 -23.898 -12.756 1.00 62.41 H new ATOM 0 HD12 LEU A 8 8.947 -22.638 -12.216 1.00 62.41 H new ATOM 0 HD13 LEU A 8 10.413 -22.187 -13.118 1.00 62.41 H new ATOM 0 HD21 LEU A 8 12.275 -24.158 -11.656 1.00 1.40 H new ATOM 0 HD22 LEU A 8 12.691 -22.458 -11.975 1.00 1.40 H new ATOM 0 HD23 LEU A 8 12.740 -23.089 -10.311 1.00 1.40 H new ATOM 148 N THR A 9 8.511 -21.806 -8.054 1.00 42.32 N ATOM 149 CA THR A 9 7.850 -22.780 -7.195 1.00 3.31 C ATOM 150 C THR A 9 6.336 -22.607 -7.231 1.00 2.42 C ATOM 151 O THR A 9 5.594 -23.440 -6.712 1.00 51.44 O ATOM 152 CB THR A 9 8.334 -22.663 -5.737 1.00 45.13 C ATOM 153 OG1 THR A 9 9.742 -22.402 -5.708 1.00 41.31 O ATOM 154 CG2 THR A 9 8.034 -23.938 -4.963 1.00 41.35 C ATOM 0 H THR A 9 8.948 -21.031 -7.555 1.00 42.32 H new ATOM 0 HA THR A 9 8.109 -23.767 -7.578 1.00 3.31 H new ATOM 0 HB THR A 9 7.801 -21.837 -5.266 1.00 45.13 H new ATOM 0 HG1 THR A 9 10.042 -22.327 -4.778 1.00 41.31 H new ATOM 0 HG21 THR A 9 8.385 -23.832 -3.937 1.00 41.35 H new ATOM 0 HG22 THR A 9 6.959 -24.119 -4.962 1.00 41.35 H new ATOM 0 HG23 THR A 9 8.543 -24.778 -5.435 1.00 41.35 H new ATOM 162 N GLY A 10 5.884 -21.519 -7.847 1.00 53.24 N ATOM 163 CA GLY A 10 4.459 -21.257 -7.940 1.00 4.12 C ATOM 164 C GLY A 10 3.892 -20.676 -6.660 1.00 24.24 C ATOM 165 O GLY A 10 2.684 -20.723 -6.429 1.00 52.44 O ATOM 0 H GLY A 10 6.479 -20.814 -8.283 1.00 53.24 H new ATOM 0 HA2 GLY A 10 4.273 -20.567 -8.763 1.00 4.12 H new ATOM 0 HA3 GLY A 10 3.937 -22.184 -8.177 1.00 4.12 H new ATOM 169 N LYS A 11 4.767 -20.129 -5.822 1.00 54.52 N ATOM 170 CA LYS A 11 4.348 -19.536 -4.557 1.00 73.34 C ATOM 171 C LYS A 11 4.134 -18.033 -4.705 1.00 32.22 C ATOM 172 O LYS A 11 4.751 -17.388 -5.553 1.00 54.40 O ATOM 173 CB LYS A 11 5.392 -19.810 -3.472 1.00 55.52 C ATOM 174 CG LYS A 11 4.998 -19.283 -2.103 1.00 52.41 C ATOM 175 CD LYS A 11 6.032 -19.641 -1.049 1.00 42.42 C ATOM 176 CE LYS A 11 5.742 -20.995 -0.420 1.00 53.25 C ATOM 177 NZ LYS A 11 6.228 -22.117 -1.270 1.00 43.32 N ATOM 0 H LYS A 11 5.771 -20.084 -5.996 1.00 54.52 H new ATOM 0 HA LYS A 11 3.402 -19.992 -4.266 1.00 73.34 H new ATOM 0 HB2 LYS A 11 5.560 -20.885 -3.404 1.00 55.52 H new ATOM 0 HB3 LYS A 11 6.339 -19.358 -3.768 1.00 55.52 H new ATOM 0 HG2 LYS A 11 4.883 -18.200 -2.148 1.00 52.41 H new ATOM 0 HG3 LYS A 11 4.030 -19.695 -1.819 1.00 52.41 H new ATOM 0 HD2 LYS A 11 7.024 -19.654 -1.501 1.00 42.42 H new ATOM 0 HD3 LYS A 11 6.044 -18.874 -0.275 1.00 42.42 H new ATOM 0 HE2 LYS A 11 6.217 -21.050 0.560 1.00 53.25 H new ATOM 0 HE3 LYS A 11 4.669 -21.099 -0.260 1.00 53.25 H new ATOM 0 HZ1 LYS A 11 6.520 -22.910 -0.664 1.00 43.32 H new ATOM 0 HZ2 LYS A 11 5.464 -22.429 -1.904 1.00 43.32 H new ATOM 0 HZ3 LYS A 11 7.039 -21.797 -1.837 1.00 43.32 H new ATOM 191 N THR A 12 3.257 -17.480 -3.873 1.00 34.33 N ATOM 192 CA THR A 12 2.962 -16.054 -3.910 1.00 51.53 C ATOM 193 C THR A 12 3.641 -15.321 -2.759 1.00 23.11 C ATOM 194 O THR A 12 3.440 -15.658 -1.592 1.00 33.12 O ATOM 195 CB THR A 12 1.445 -15.791 -3.847 1.00 23.31 C ATOM 196 OG1 THR A 12 0.789 -16.442 -4.941 1.00 25.11 O ATOM 197 CG2 THR A 12 1.152 -14.299 -3.888 1.00 71.22 C ATOM 0 H THR A 12 2.738 -17.999 -3.165 1.00 34.33 H new ATOM 0 HA THR A 12 3.350 -15.677 -4.856 1.00 51.53 H new ATOM 0 HB THR A 12 1.068 -16.193 -2.907 1.00 23.31 H new ATOM 0 HG1 THR A 12 -0.175 -16.271 -4.893 1.00 25.11 H new ATOM 0 HG21 THR A 12 0.075 -14.138 -3.842 1.00 71.22 H new ATOM 0 HG22 THR A 12 1.628 -13.811 -3.037 1.00 71.22 H new ATOM 0 HG23 THR A 12 1.543 -13.877 -4.814 1.00 71.22 H new ATOM 205 N ILE A 13 4.446 -14.318 -3.094 1.00 73.24 N ATOM 206 CA ILE A 13 5.153 -13.537 -2.087 1.00 61.42 C ATOM 207 C ILE A 13 4.772 -12.063 -2.167 1.00 30.00 C ATOM 208 O ILE A 13 4.845 -11.447 -3.231 1.00 62.41 O ATOM 209 CB ILE A 13 6.680 -13.670 -2.242 1.00 33.44 C ATOM 210 CG1 ILE A 13 7.075 -15.143 -2.371 1.00 12.13 C ATOM 211 CG2 ILE A 13 7.390 -13.028 -1.059 1.00 54.45 C ATOM 212 CD1 ILE A 13 8.555 -15.354 -2.599 1.00 41.44 C ATOM 0 H ILE A 13 4.625 -14.027 -4.055 1.00 73.24 H new ATOM 0 HA ILE A 13 4.858 -13.934 -1.115 1.00 61.42 H new ATOM 0 HB ILE A 13 6.985 -13.150 -3.150 1.00 33.44 H new ATOM 0 HG12 ILE A 13 6.776 -15.671 -1.466 1.00 12.13 H new ATOM 0 HG13 ILE A 13 6.521 -15.588 -3.198 1.00 12.13 H new ATOM 0 HG21 ILE A 13 8.468 -13.130 -1.183 1.00 54.45 H new ATOM 0 HG22 ILE A 13 7.129 -11.971 -1.008 1.00 54.45 H new ATOM 0 HG23 ILE A 13 7.082 -13.523 -0.138 1.00 54.45 H new ATOM 0 HD11 ILE A 13 8.762 -16.421 -2.681 1.00 41.44 H new ATOM 0 HD12 ILE A 13 8.856 -14.854 -3.520 1.00 41.44 H new ATOM 0 HD13 ILE A 13 9.115 -14.939 -1.761 1.00 41.44 H new ATOM 224 N THR A 14 4.366 -11.500 -1.033 1.00 72.11 N ATOM 225 CA THR A 14 3.974 -10.098 -0.974 1.00 13.34 C ATOM 226 C THR A 14 4.629 -9.393 0.209 1.00 64.25 C ATOM 227 O THR A 14 4.504 -9.831 1.352 1.00 62.44 O ATOM 228 CB THR A 14 2.445 -9.946 -0.863 1.00 72.13 C ATOM 229 OG1 THR A 14 2.002 -10.378 0.428 1.00 14.10 O ATOM 230 CG2 THR A 14 1.742 -10.755 -1.943 1.00 55.40 C ATOM 0 H THR A 14 4.300 -11.994 -0.143 1.00 72.11 H new ATOM 0 HA THR A 14 4.312 -9.637 -1.902 1.00 13.34 H new ATOM 0 HB THR A 14 2.195 -8.894 -0.998 1.00 72.13 H new ATOM 0 HG1 THR A 14 2.756 -10.364 1.054 1.00 14.10 H new ATOM 0 HG21 THR A 14 0.663 -10.633 -1.845 1.00 55.40 H new ATOM 0 HG22 THR A 14 2.059 -10.404 -2.925 1.00 55.40 H new ATOM 0 HG23 THR A 14 1.999 -11.809 -1.834 1.00 55.40 H new ATOM 238 N ALA A 15 5.328 -8.299 -0.074 1.00 43.34 N ATOM 239 CA ALA A 15 6.001 -7.532 0.967 1.00 44.14 C ATOM 240 C ALA A 15 6.387 -6.145 0.464 1.00 13.41 C ATOM 241 O ALA A 15 6.947 -6.002 -0.622 1.00 50.00 O ATOM 242 CB ALA A 15 7.233 -8.278 1.459 1.00 53.11 C ATOM 0 H ALA A 15 5.443 -7.924 -1.016 1.00 43.34 H new ATOM 0 HA ALA A 15 5.307 -7.409 1.799 1.00 44.14 H new ATOM 0 HB1 ALA A 15 7.726 -7.694 2.236 1.00 53.11 H new ATOM 0 HB2 ALA A 15 6.935 -9.244 1.866 1.00 53.11 H new ATOM 0 HB3 ALA A 15 7.922 -8.431 0.628 1.00 53.11 H new ATOM 248 N GLU A 16 6.082 -5.126 1.262 1.00 51.44 N ATOM 249 CA GLU A 16 6.396 -3.749 0.895 1.00 33.54 C ATOM 250 C GLU A 16 7.885 -3.466 1.070 1.00 60.23 C ATOM 251 O GLU A 16 8.522 -3.972 1.995 1.00 75.34 O ATOM 252 CB GLU A 16 5.577 -2.773 1.743 1.00 61.41 C ATOM 253 CG GLU A 16 5.837 -2.897 3.235 1.00 42.51 C ATOM 254 CD GLU A 16 4.717 -2.310 4.073 1.00 64.44 C ATOM 255 OE1 GLU A 16 3.686 -2.994 4.245 1.00 41.44 O ATOM 256 OE2 GLU A 16 4.872 -1.169 4.556 1.00 72.52 O ATOM 0 H GLU A 16 5.619 -5.227 2.165 1.00 51.44 H new ATOM 0 HA GLU A 16 6.139 -3.612 -0.155 1.00 33.54 H new ATOM 0 HB2 GLU A 16 5.801 -1.754 1.427 1.00 61.41 H new ATOM 0 HB3 GLU A 16 4.517 -2.940 1.552 1.00 61.41 H new ATOM 0 HG2 GLU A 16 5.965 -3.949 3.492 1.00 42.51 H new ATOM 0 HG3 GLU A 16 6.772 -2.393 3.480 1.00 42.51 H new ATOM 263 N THR A 17 8.436 -2.654 0.173 1.00 11.52 N ATOM 264 CA THR A 17 9.850 -2.304 0.226 1.00 54.44 C ATOM 265 C THR A 17 10.053 -0.806 0.026 1.00 62.11 C ATOM 266 O THR A 17 9.133 -0.094 -0.373 1.00 53.32 O ATOM 267 CB THR A 17 10.657 -3.067 -0.841 1.00 42.22 C ATOM 268 OG1 THR A 17 12.052 -2.777 -0.699 1.00 64.54 O ATOM 269 CG2 THR A 17 10.196 -2.690 -2.241 1.00 72.30 C ATOM 0 H THR A 17 7.924 -2.226 -0.599 1.00 11.52 H new ATOM 0 HA THR A 17 10.210 -2.588 1.215 1.00 54.44 H new ATOM 0 HB THR A 17 10.491 -4.134 -0.696 1.00 42.22 H new ATOM 0 HG1 THR A 17 12.291 -2.775 0.251 1.00 64.54 H new ATOM 0 HG21 THR A 17 10.781 -3.242 -2.977 1.00 72.30 H new ATOM 0 HG22 THR A 17 9.141 -2.938 -2.356 1.00 72.30 H new ATOM 0 HG23 THR A 17 10.336 -1.620 -2.394 1.00 72.30 H new ATOM 277 N GLU A 18 11.265 -0.336 0.305 1.00 12.34 N ATOM 278 CA GLU A 18 11.588 1.078 0.156 1.00 54.41 C ATOM 279 C GLU A 18 11.909 1.412 -1.298 1.00 50.31 C ATOM 280 O GLU A 18 12.346 0.563 -2.075 1.00 20.45 O ATOM 281 CB GLU A 18 12.772 1.451 1.050 1.00 10.30 C ATOM 282 CG GLU A 18 12.367 1.871 2.453 1.00 30.42 C ATOM 283 CD GLU A 18 12.075 3.355 2.557 1.00 23.01 C ATOM 284 OE1 GLU A 18 11.004 3.712 3.090 1.00 53.51 O ATOM 285 OE2 GLU A 18 12.918 4.159 2.106 1.00 34.20 O ATOM 0 H GLU A 18 12.038 -0.913 0.635 1.00 12.34 H new ATOM 0 HA GLU A 18 10.716 1.657 0.460 1.00 54.41 H new ATOM 0 HB2 GLU A 18 13.449 0.599 1.116 1.00 10.30 H new ATOM 0 HB3 GLU A 18 13.327 2.264 0.583 1.00 10.30 H new ATOM 0 HG2 GLU A 18 11.484 1.309 2.756 1.00 30.42 H new ATOM 0 HG3 GLU A 18 13.164 1.612 3.150 1.00 30.42 H new ATOM 292 N PRO A 19 11.687 2.680 -1.677 1.00 22.24 N ATOM 293 CA PRO A 19 11.946 3.156 -3.039 1.00 11.14 C ATOM 294 C PRO A 19 13.436 3.218 -3.358 1.00 13.22 C ATOM 295 O PRO A 19 13.826 3.396 -4.511 1.00 51.52 O ATOM 296 CB PRO A 19 11.339 4.561 -3.044 1.00 52.24 C ATOM 297 CG PRO A 19 11.370 4.993 -1.619 1.00 12.11 C ATOM 298 CD PRO A 19 11.167 3.746 -0.804 1.00 23.22 C ATOM 0 HA PRO A 19 11.522 2.491 -3.791 1.00 11.14 H new ATOM 0 HB2 PRO A 19 11.914 5.238 -3.675 1.00 52.24 H new ATOM 0 HB3 PRO A 19 10.321 4.551 -3.432 1.00 52.24 H new ATOM 0 HG2 PRO A 19 12.321 5.468 -1.376 1.00 12.11 H new ATOM 0 HG3 PRO A 19 10.587 5.724 -1.416 1.00 12.11 H new ATOM 0 HD2 PRO A 19 11.708 3.791 0.141 1.00 23.22 H new ATOM 0 HD3 PRO A 19 10.116 3.590 -0.562 1.00 23.22 H new ATOM 306 N ALA A 20 14.263 3.069 -2.329 1.00 3.43 N ATOM 307 CA ALA A 20 15.710 3.106 -2.501 1.00 3.24 C ATOM 308 C ALA A 20 16.307 1.705 -2.429 1.00 64.23 C ATOM 309 O ALA A 20 17.363 1.440 -3.004 1.00 53.52 O ATOM 310 CB ALA A 20 16.344 4.006 -1.450 1.00 50.01 C ATOM 0 H ALA A 20 13.956 2.922 -1.368 1.00 3.43 H new ATOM 0 HA ALA A 20 15.923 3.514 -3.489 1.00 3.24 H new ATOM 0 HB1 ALA A 20 17.425 4.024 -1.591 1.00 50.01 H new ATOM 0 HB2 ALA A 20 15.948 5.017 -1.550 1.00 50.01 H new ATOM 0 HB3 ALA A 20 16.114 3.623 -0.456 1.00 50.01 H new ATOM 316 N GLU A 21 15.625 0.811 -1.720 1.00 3.34 N ATOM 317 CA GLU A 21 16.091 -0.563 -1.573 1.00 13.23 C ATOM 318 C GLU A 21 14.987 -1.553 -1.936 1.00 5.33 C ATOM 319 O GLU A 21 14.572 -2.368 -1.111 1.00 41.22 O ATOM 320 CB GLU A 21 16.565 -0.814 -0.140 1.00 11.33 C ATOM 321 CG GLU A 21 17.556 0.222 0.363 1.00 3.05 C ATOM 322 CD GLU A 21 18.904 -0.380 0.709 1.00 22.32 C ATOM 323 OE1 GLU A 21 19.004 -1.044 1.762 1.00 21.24 O ATOM 324 OE2 GLU A 21 19.859 -0.188 -0.073 1.00 33.05 O ATOM 0 H GLU A 21 14.749 1.013 -1.239 1.00 3.34 H new ATOM 0 HA GLU A 21 16.928 -0.711 -2.256 1.00 13.23 H new ATOM 0 HB2 GLU A 21 15.700 -0.829 0.523 1.00 11.33 H new ATOM 0 HB3 GLU A 21 17.025 -1.801 -0.086 1.00 11.33 H new ATOM 0 HG2 GLU A 21 17.690 0.991 -0.398 1.00 3.05 H new ATOM 0 HG3 GLU A 21 17.145 0.714 1.244 1.00 3.05 H new ATOM 331 N THR A 22 14.516 -1.475 -3.176 1.00 73.42 N ATOM 332 CA THR A 22 13.460 -2.362 -3.649 1.00 40.01 C ATOM 333 C THR A 22 13.999 -3.762 -3.922 1.00 13.31 C ATOM 334 O THR A 22 13.459 -4.752 -3.430 1.00 34.53 O ATOM 335 CB THR A 22 12.802 -1.818 -4.931 1.00 63.35 C ATOM 336 OG1 THR A 22 11.956 -0.707 -4.615 1.00 62.30 O ATOM 337 CG2 THR A 22 11.988 -2.901 -5.623 1.00 63.41 C ATOM 0 H THR A 22 14.849 -0.807 -3.871 1.00 73.42 H new ATOM 0 HA THR A 22 12.711 -2.412 -2.858 1.00 40.01 H new ATOM 0 HB THR A 22 13.592 -1.491 -5.607 1.00 63.35 H new ATOM 0 HG1 THR A 22 12.174 -0.374 -3.720 1.00 62.30 H new ATOM 0 HG21 THR A 22 11.533 -2.493 -6.526 1.00 63.41 H new ATOM 0 HG22 THR A 22 12.641 -3.732 -5.889 1.00 63.41 H new ATOM 0 HG23 THR A 22 11.206 -3.254 -4.950 1.00 63.41 H new ATOM 345 N VAL A 23 15.067 -3.837 -4.709 1.00 42.41 N ATOM 346 CA VAL A 23 15.680 -5.116 -5.046 1.00 4.21 C ATOM 347 C VAL A 23 16.480 -5.668 -3.871 1.00 43.04 C ATOM 348 O VAL A 23 16.344 -6.836 -3.509 1.00 30.01 O ATOM 349 CB VAL A 23 16.607 -4.989 -6.270 1.00 2.04 C ATOM 350 CG1 VAL A 23 17.276 -6.321 -6.573 1.00 42.23 C ATOM 351 CG2 VAL A 23 15.830 -4.486 -7.476 1.00 75.25 C ATOM 0 H VAL A 23 15.526 -3.027 -5.125 1.00 42.41 H new ATOM 0 HA VAL A 23 14.868 -5.803 -5.284 1.00 4.21 H new ATOM 0 HB VAL A 23 17.386 -4.262 -6.041 1.00 2.04 H new ATOM 0 HG11 VAL A 23 17.927 -6.212 -7.441 1.00 42.23 H new ATOM 0 HG12 VAL A 23 17.867 -6.635 -5.713 1.00 42.23 H new ATOM 0 HG13 VAL A 23 16.514 -7.071 -6.783 1.00 42.23 H new ATOM 0 HG21 VAL A 23 16.500 -4.402 -8.332 1.00 75.25 H new ATOM 0 HG22 VAL A 23 15.028 -5.186 -7.710 1.00 75.25 H new ATOM 0 HG23 VAL A 23 15.404 -3.508 -7.252 1.00 75.25 H new ATOM 361 N ALA A 24 17.315 -4.820 -3.280 1.00 41.41 N ATOM 362 CA ALA A 24 18.135 -5.222 -2.144 1.00 45.34 C ATOM 363 C ALA A 24 17.279 -5.815 -1.031 1.00 13.52 C ATOM 364 O ALA A 24 17.684 -6.765 -0.362 1.00 23.21 O ATOM 365 CB ALA A 24 18.934 -4.036 -1.624 1.00 41.20 C ATOM 0 H ALA A 24 17.441 -3.850 -3.569 1.00 41.41 H new ATOM 0 HA ALA A 24 18.828 -5.992 -2.482 1.00 45.34 H new ATOM 0 HB1 ALA A 24 19.542 -4.351 -0.776 1.00 41.20 H new ATOM 0 HB2 ALA A 24 19.582 -3.659 -2.415 1.00 41.20 H new ATOM 0 HB3 ALA A 24 18.251 -3.247 -1.308 1.00 41.20 H new ATOM 371 N ASP A 25 16.093 -5.247 -0.837 1.00 64.00 N ATOM 372 CA ASP A 25 15.179 -5.720 0.196 1.00 50.12 C ATOM 373 C ASP A 25 14.811 -7.183 -0.032 1.00 41.34 C ATOM 374 O ASP A 25 14.782 -7.980 0.906 1.00 62.42 O ATOM 375 CB ASP A 25 13.914 -4.861 0.219 1.00 11.43 C ATOM 376 CG ASP A 25 12.806 -5.484 1.045 1.00 74.33 C ATOM 377 OD1 ASP A 25 11.901 -6.107 0.450 1.00 53.32 O ATOM 378 OD2 ASP A 25 12.844 -5.351 2.286 1.00 54.25 O ATOM 0 H ASP A 25 15.743 -4.459 -1.382 1.00 64.00 H new ATOM 0 HA ASP A 25 15.683 -5.637 1.159 1.00 50.12 H new ATOM 0 HB2 ASP A 25 14.154 -3.877 0.622 1.00 11.43 H new ATOM 0 HB3 ASP A 25 13.562 -4.711 -0.802 1.00 11.43 H new ATOM 383 N LEU A 26 14.529 -7.528 -1.284 1.00 24.22 N ATOM 384 CA LEU A 26 14.162 -8.895 -1.636 1.00 30.42 C ATOM 385 C LEU A 26 15.393 -9.794 -1.686 1.00 62.33 C ATOM 386 O LEU A 26 15.335 -10.968 -1.317 1.00 55.55 O ATOM 387 CB LEU A 26 13.443 -8.920 -2.986 1.00 10.42 C ATOM 388 CG LEU A 26 11.937 -9.182 -2.940 1.00 2.44 C ATOM 389 CD1 LEU A 26 11.352 -9.182 -4.343 1.00 63.24 C ATOM 390 CD2 LEU A 26 11.647 -10.500 -2.238 1.00 74.31 C ATOM 0 H LEU A 26 14.548 -6.880 -2.072 1.00 24.22 H new ATOM 0 HA LEU A 26 13.490 -9.274 -0.866 1.00 30.42 H new ATOM 0 HB2 LEU A 26 13.610 -7.964 -3.482 1.00 10.42 H new ATOM 0 HB3 LEU A 26 13.906 -9.686 -3.607 1.00 10.42 H new ATOM 0 HG LEU A 26 11.465 -8.380 -2.373 1.00 2.44 H new ATOM 0 HD11 LEU A 26 10.280 -9.370 -4.290 1.00 63.24 H new ATOM 0 HD12 LEU A 26 11.528 -8.213 -4.811 1.00 63.24 H new ATOM 0 HD13 LEU A 26 11.828 -9.963 -4.936 1.00 63.24 H new ATOM 0 HD21 LEU A 26 10.571 -10.670 -2.214 1.00 74.31 H new ATOM 0 HD22 LEU A 26 12.131 -11.314 -2.777 1.00 74.31 H new ATOM 0 HD23 LEU A 26 12.031 -10.461 -1.219 1.00 74.31 H new ATOM 402 N LYS A 27 16.509 -9.236 -2.143 1.00 52.25 N ATOM 403 CA LYS A 27 17.756 -9.985 -2.239 1.00 42.53 C ATOM 404 C LYS A 27 18.191 -10.495 -0.869 1.00 72.43 C ATOM 405 O LYS A 27 18.561 -11.660 -0.721 1.00 14.35 O ATOM 406 CB LYS A 27 18.857 -9.107 -2.841 1.00 34.41 C ATOM 407 CG LYS A 27 18.659 -8.811 -4.317 1.00 51.23 C ATOM 408 CD LYS A 27 19.979 -8.819 -5.069 1.00 42.14 C ATOM 409 CE LYS A 27 20.611 -7.436 -5.101 1.00 51.33 C ATOM 410 NZ LYS A 27 21.449 -7.181 -3.897 1.00 42.12 N ATOM 0 H LYS A 27 16.575 -8.266 -2.453 1.00 52.25 H new ATOM 0 HA LYS A 27 17.587 -10.843 -2.890 1.00 42.53 H new ATOM 0 HB2 LYS A 27 18.900 -8.166 -2.293 1.00 34.41 H new ATOM 0 HB3 LYS A 27 19.819 -9.600 -2.704 1.00 34.41 H new ATOM 0 HG2 LYS A 27 17.988 -9.552 -4.751 1.00 51.23 H new ATOM 0 HG3 LYS A 27 18.179 -7.839 -4.433 1.00 51.23 H new ATOM 0 HD2 LYS A 27 20.664 -9.522 -4.596 1.00 42.14 H new ATOM 0 HD3 LYS A 27 19.816 -9.169 -6.088 1.00 42.14 H new ATOM 0 HE2 LYS A 27 21.223 -7.337 -5.997 1.00 51.33 H new ATOM 0 HE3 LYS A 27 19.828 -6.680 -5.165 1.00 51.33 H new ATOM 0 HZ1 LYS A 27 21.709 -6.175 -3.862 1.00 42.12 H new ATOM 0 HZ2 LYS A 27 20.913 -7.430 -3.042 1.00 42.12 H new ATOM 0 HZ3 LYS A 27 22.312 -7.760 -3.946 1.00 42.12 H new ATOM 424 N GLN A 28 18.142 -9.618 0.127 1.00 10.54 N ATOM 425 CA GLN A 28 18.530 -9.981 1.485 1.00 62.51 C ATOM 426 C GLN A 28 17.471 -10.865 2.136 1.00 62.45 C ATOM 427 O GLN A 28 17.793 -11.820 2.843 1.00 0.15 O ATOM 428 CB GLN A 28 18.751 -8.725 2.329 1.00 65.01 C ATOM 429 CG GLN A 28 19.081 -9.019 3.783 1.00 31.44 C ATOM 430 CD GLN A 28 19.670 -7.822 4.502 1.00 1.22 C ATOM 431 OE1 GLN A 28 20.848 -7.502 4.338 1.00 72.03 O ATOM 432 NE2 GLN A 28 18.852 -7.152 5.305 1.00 10.53 N ATOM 0 H GLN A 28 17.837 -8.650 0.020 1.00 10.54 H new ATOM 0 HA GLN A 28 19.463 -10.542 1.431 1.00 62.51 H new ATOM 0 HB2 GLN A 28 19.562 -8.142 1.892 1.00 65.01 H new ATOM 0 HB3 GLN A 28 17.854 -8.107 2.287 1.00 65.01 H new ATOM 0 HG2 GLN A 28 18.176 -9.339 4.299 1.00 31.44 H new ATOM 0 HG3 GLN A 28 19.785 -9.849 3.831 1.00 31.44 H new ATOM 0 HE21 GLN A 28 17.883 -7.452 5.411 1.00 10.53 H new ATOM 0 HE22 GLN A 28 19.193 -6.337 5.815 1.00 10.53 H new ATOM 441 N LYS A 29 16.206 -10.541 1.891 1.00 31.34 N ATOM 442 CA LYS A 29 15.098 -11.306 2.452 1.00 0.42 C ATOM 443 C LYS A 29 15.212 -12.781 2.081 1.00 12.22 C ATOM 444 O LYS A 29 15.154 -13.654 2.947 1.00 22.23 O ATOM 445 CB LYS A 29 13.763 -10.746 1.957 1.00 52.34 C ATOM 446 CG LYS A 29 12.552 -11.465 2.526 1.00 25.14 C ATOM 447 CD LYS A 29 12.122 -10.866 3.855 1.00 24.41 C ATOM 448 CE LYS A 29 10.623 -11.007 4.070 1.00 3.35 C ATOM 449 NZ LYS A 29 9.874 -9.834 3.539 1.00 65.42 N ATOM 0 H LYS A 29 15.922 -9.754 1.308 1.00 31.34 H new ATOM 0 HA LYS A 29 15.142 -11.219 3.538 1.00 0.42 H new ATOM 0 HB2 LYS A 29 13.703 -9.689 2.218 1.00 52.34 H new ATOM 0 HB3 LYS A 29 13.734 -10.808 0.869 1.00 52.34 H new ATOM 0 HG2 LYS A 29 11.727 -11.408 1.816 1.00 25.14 H new ATOM 0 HG3 LYS A 29 12.785 -12.521 2.660 1.00 25.14 H new ATOM 0 HD2 LYS A 29 12.655 -11.360 4.667 1.00 24.41 H new ATOM 0 HD3 LYS A 29 12.398 -9.812 3.887 1.00 24.41 H new ATOM 0 HE2 LYS A 29 10.270 -11.915 3.581 1.00 3.35 H new ATOM 0 HE3 LYS A 29 10.418 -11.117 5.135 1.00 3.35 H new ATOM 0 HZ1 LYS A 29 8.856 -9.968 3.705 1.00 65.42 H new ATOM 0 HZ2 LYS A 29 10.193 -8.970 4.023 1.00 65.42 H new ATOM 0 HZ3 LYS A 29 10.050 -9.743 2.518 1.00 65.42 H new ATOM 463 N ILE A 30 15.375 -13.051 0.790 1.00 12.35 N ATOM 464 CA ILE A 30 15.499 -14.420 0.307 1.00 64.03 C ATOM 465 C ILE A 30 16.873 -14.995 0.633 1.00 23.51 C ATOM 466 O ILE A 30 17.017 -16.197 0.856 1.00 22.10 O ATOM 467 CB ILE A 30 15.268 -14.503 -1.214 1.00 24.13 C ATOM 468 CG1 ILE A 30 13.869 -13.995 -1.568 1.00 3.15 C ATOM 469 CG2 ILE A 30 15.458 -15.932 -1.701 1.00 12.12 C ATOM 470 CD1 ILE A 30 13.779 -13.386 -2.949 1.00 42.22 C ATOM 0 H ILE A 30 15.424 -12.340 0.060 1.00 12.35 H new ATOM 0 HA ILE A 30 14.733 -15.005 0.815 1.00 64.03 H new ATOM 0 HB ILE A 30 16.001 -13.869 -1.713 1.00 24.13 H new ATOM 0 HG12 ILE A 30 13.162 -14.822 -1.498 1.00 3.15 H new ATOM 0 HG13 ILE A 30 13.564 -13.252 -0.831 1.00 3.15 H new ATOM 0 HG21 ILE A 30 15.291 -15.975 -2.777 1.00 12.12 H new ATOM 0 HG22 ILE A 30 16.473 -16.261 -1.477 1.00 12.12 H new ATOM 0 HG23 ILE A 30 14.746 -16.586 -1.197 1.00 12.12 H new ATOM 0 HD11 ILE A 30 12.759 -13.048 -3.132 1.00 42.22 H new ATOM 0 HD12 ILE A 30 14.460 -12.538 -3.018 1.00 42.22 H new ATOM 0 HD13 ILE A 30 14.053 -14.133 -3.694 1.00 42.22 H new ATOM 482 N ALA A 31 17.880 -14.129 0.661 1.00 4.20 N ATOM 483 CA ALA A 31 19.243 -14.550 0.964 1.00 15.12 C ATOM 484 C ALA A 31 19.300 -15.315 2.282 1.00 61.31 C ATOM 485 O ALA A 31 19.888 -16.394 2.359 1.00 61.22 O ATOM 486 CB ALA A 31 20.170 -13.344 1.011 1.00 74.30 C ATOM 0 H ALA A 31 17.778 -13.131 0.477 1.00 4.20 H new ATOM 0 HA ALA A 31 19.576 -15.219 0.170 1.00 15.12 H new ATOM 0 HB1 ALA A 31 21.184 -13.673 1.238 1.00 74.30 H new ATOM 0 HB2 ALA A 31 20.160 -12.840 0.045 1.00 74.30 H new ATOM 0 HB3 ALA A 31 19.831 -12.654 1.784 1.00 74.30 H new ATOM 492 N ASP A 32 18.687 -14.750 3.316 1.00 30.30 N ATOM 493 CA ASP A 32 18.668 -15.380 4.631 1.00 22.12 C ATOM 494 C ASP A 32 17.668 -16.531 4.668 1.00 20.32 C ATOM 495 O ASP A 32 17.774 -17.434 5.498 1.00 24.33 O ATOM 496 CB ASP A 32 18.320 -14.351 5.708 1.00 25.10 C ATOM 497 CG ASP A 32 18.276 -14.959 7.096 1.00 3.54 C ATOM 498 OD1 ASP A 32 17.193 -14.940 7.718 1.00 22.32 O ATOM 499 OD2 ASP A 32 19.325 -15.453 7.561 1.00 54.12 O ATOM 0 H ASP A 32 18.197 -13.857 3.269 1.00 30.30 H new ATOM 0 HA ASP A 32 19.662 -15.780 4.829 1.00 22.12 H new ATOM 0 HB2 ASP A 32 19.056 -13.547 5.690 1.00 25.10 H new ATOM 0 HB3 ASP A 32 17.353 -13.903 5.480 1.00 25.10 H new ATOM 504 N LYS A 33 16.695 -16.493 3.764 1.00 44.43 N ATOM 505 CA LYS A 33 15.675 -17.532 3.692 1.00 43.25 C ATOM 506 C LYS A 33 16.260 -18.831 3.148 1.00 71.45 C ATOM 507 O LYS A 33 16.017 -19.907 3.693 1.00 62.30 O ATOM 508 CB LYS A 33 14.513 -17.074 2.808 1.00 50.34 C ATOM 509 CG LYS A 33 13.403 -18.103 2.680 1.00 3.03 C ATOM 510 CD LYS A 33 12.603 -18.222 3.966 1.00 30.24 C ATOM 511 CE LYS A 33 11.536 -19.301 3.861 1.00 21.20 C ATOM 512 NZ LYS A 33 12.107 -20.665 4.037 1.00 24.11 N ATOM 0 H LYS A 33 16.591 -15.753 3.070 1.00 44.43 H new ATOM 0 HA LYS A 33 15.306 -17.715 4.701 1.00 43.25 H new ATOM 0 HB2 LYS A 33 14.098 -16.153 3.217 1.00 50.34 H new ATOM 0 HB3 LYS A 33 14.894 -16.838 1.815 1.00 50.34 H new ATOM 0 HG2 LYS A 33 12.739 -17.824 1.862 1.00 3.03 H new ATOM 0 HG3 LYS A 33 13.832 -19.072 2.426 1.00 3.03 H new ATOM 0 HD2 LYS A 33 13.274 -18.452 4.793 1.00 30.24 H new ATOM 0 HD3 LYS A 33 12.133 -17.265 4.193 1.00 30.24 H new ATOM 0 HE2 LYS A 33 10.769 -19.128 4.616 1.00 21.20 H new ATOM 0 HE3 LYS A 33 11.047 -19.235 2.889 1.00 21.20 H new ATOM 0 HZ1 LYS A 33 11.348 -21.372 3.959 1.00 24.11 H new ATOM 0 HZ2 LYS A 33 12.821 -20.840 3.301 1.00 24.11 H new ATOM 0 HZ3 LYS A 33 12.552 -20.737 4.974 1.00 24.11 H new ATOM 526 N GLU A 34 17.032 -18.723 2.071 1.00 51.33 N ATOM 527 CA GLU A 34 17.651 -19.890 1.455 1.00 62.34 C ATOM 528 C GLU A 34 19.151 -19.923 1.736 1.00 53.10 C ATOM 529 O GLU A 34 19.896 -20.669 1.103 1.00 60.41 O ATOM 530 CB GLU A 34 17.404 -19.889 -0.055 1.00 64.05 C ATOM 531 CG GLU A 34 16.100 -20.556 -0.460 1.00 25.13 C ATOM 532 CD GLU A 34 16.188 -22.070 -0.438 1.00 3.22 C ATOM 533 OE1 GLU A 34 16.886 -22.610 0.446 1.00 32.22 O ATOM 534 OE2 GLU A 34 15.560 -22.714 -1.304 1.00 5.31 O ATOM 0 H GLU A 34 17.243 -17.839 1.608 1.00 51.33 H new ATOM 0 HA GLU A 34 17.198 -20.781 1.889 1.00 62.34 H new ATOM 0 HB2 GLU A 34 17.402 -18.860 -0.413 1.00 64.05 H new ATOM 0 HB3 GLU A 34 18.231 -20.397 -0.550 1.00 64.05 H new ATOM 0 HG2 GLU A 34 15.306 -20.232 0.213 1.00 25.13 H new ATOM 0 HG3 GLU A 34 15.823 -20.226 -1.461 1.00 25.13 H new ATOM 541 N GLY A 35 19.586 -19.106 2.691 1.00 73.40 N ATOM 542 CA GLY A 35 20.994 -19.056 3.039 1.00 34.15 C ATOM 543 C GLY A 35 21.883 -18.852 1.829 1.00 5.25 C ATOM 544 O GLY A 35 23.010 -19.346 1.788 1.00 42.12 O ATOM 0 H GLY A 35 18.989 -18.478 3.229 1.00 73.40 H new ATOM 0 HA2 GLY A 35 21.161 -18.246 3.749 1.00 34.15 H new ATOM 0 HA3 GLY A 35 21.274 -19.983 3.540 1.00 34.15 H new ATOM 548 N VAL A 36 21.377 -18.122 0.840 1.00 34.44 N ATOM 549 CA VAL A 36 22.133 -17.854 -0.377 1.00 30.31 C ATOM 550 C VAL A 36 22.515 -16.381 -0.473 1.00 72.54 C ATOM 551 O VAL A 36 21.871 -15.508 0.108 1.00 30.25 O ATOM 552 CB VAL A 36 21.334 -18.249 -1.633 1.00 33.52 C ATOM 553 CG1 VAL A 36 21.341 -19.759 -1.817 1.00 71.33 C ATOM 554 CG2 VAL A 36 19.910 -17.722 -1.545 1.00 53.55 C ATOM 0 H VAL A 36 20.446 -17.706 0.858 1.00 34.44 H new ATOM 0 HA VAL A 36 23.038 -18.459 -0.327 1.00 30.31 H new ATOM 0 HB VAL A 36 21.811 -17.798 -2.503 1.00 33.52 H new ATOM 0 HG11 VAL A 36 20.772 -20.019 -2.709 1.00 71.33 H new ATOM 0 HG12 VAL A 36 22.368 -20.107 -1.927 1.00 71.33 H new ATOM 0 HG13 VAL A 36 20.888 -20.234 -0.946 1.00 71.33 H new ATOM 0 HG21 VAL A 36 19.359 -18.010 -2.441 1.00 53.55 H new ATOM 0 HG22 VAL A 36 19.420 -18.143 -0.667 1.00 53.55 H new ATOM 0 HG23 VAL A 36 19.929 -16.635 -1.464 1.00 53.55 H new ATOM 564 N PRO A 37 23.588 -16.097 -1.226 1.00 54.44 N ATOM 565 CA PRO A 37 24.079 -14.729 -1.418 1.00 44.03 C ATOM 566 C PRO A 37 23.136 -13.888 -2.271 1.00 14.21 C ATOM 567 O PRO A 37 22.474 -14.401 -3.173 1.00 71.22 O ATOM 568 CB PRO A 37 25.415 -14.930 -2.139 1.00 31.21 C ATOM 569 CG PRO A 37 25.277 -16.241 -2.832 1.00 64.54 C ATOM 570 CD PRO A 37 24.403 -17.087 -1.949 1.00 32.51 C ATOM 0 HA PRO A 37 24.164 -14.191 -0.474 1.00 44.03 H new ATOM 0 HB2 PRO A 37 25.607 -14.125 -2.849 1.00 31.21 H new ATOM 0 HB3 PRO A 37 26.247 -14.940 -1.435 1.00 31.21 H new ATOM 0 HG2 PRO A 37 24.830 -16.116 -3.818 1.00 64.54 H new ATOM 0 HG3 PRO A 37 26.251 -16.708 -2.980 1.00 64.54 H new ATOM 0 HD2 PRO A 37 23.784 -17.769 -2.532 1.00 32.51 H new ATOM 0 HD3 PRO A 37 24.993 -17.698 -1.266 1.00 32.51 H new ATOM 578 N VAL A 38 23.078 -12.592 -1.979 1.00 63.15 N ATOM 579 CA VAL A 38 22.216 -11.679 -2.721 1.00 24.23 C ATOM 580 C VAL A 38 22.545 -11.700 -4.209 1.00 74.33 C ATOM 581 O VAL A 38 21.666 -11.515 -5.052 1.00 2.02 O ATOM 582 CB VAL A 38 22.346 -10.236 -2.198 1.00 70.10 C ATOM 583 CG1 VAL A 38 21.676 -10.098 -0.840 1.00 11.15 C ATOM 584 CG2 VAL A 38 23.809 -9.826 -2.124 1.00 60.03 C ATOM 0 H VAL A 38 23.618 -12.151 -1.234 1.00 63.15 H new ATOM 0 HA VAL A 38 21.191 -12.020 -2.574 1.00 24.23 H new ATOM 0 HB VAL A 38 21.840 -9.568 -2.895 1.00 70.10 H new ATOM 0 HG11 VAL A 38 21.778 -9.072 -0.487 1.00 11.15 H new ATOM 0 HG12 VAL A 38 20.619 -10.348 -0.929 1.00 11.15 H new ATOM 0 HG13 VAL A 38 22.150 -10.775 -0.130 1.00 11.15 H new ATOM 0 HG21 VAL A 38 23.882 -8.804 -1.753 1.00 60.03 H new ATOM 0 HG22 VAL A 38 24.341 -10.496 -1.449 1.00 60.03 H new ATOM 0 HG23 VAL A 38 24.254 -9.884 -3.117 1.00 60.03 H new ATOM 594 N ASP A 39 23.814 -11.928 -4.526 1.00 44.32 N ATOM 595 CA ASP A 39 24.259 -11.975 -5.914 1.00 45.12 C ATOM 596 C ASP A 39 23.568 -13.107 -6.668 1.00 42.43 C ATOM 597 O ASP A 39 23.443 -13.063 -7.892 1.00 22.52 O ATOM 598 CB ASP A 39 25.777 -12.154 -5.980 1.00 20.03 C ATOM 599 CG ASP A 39 26.266 -13.281 -5.091 1.00 11.32 C ATOM 600 OD1 ASP A 39 27.079 -13.010 -4.182 1.00 12.20 O ATOM 601 OD2 ASP A 39 25.835 -14.433 -5.303 1.00 61.14 O ATOM 0 H ASP A 39 24.553 -12.083 -3.841 1.00 44.32 H new ATOM 0 HA ASP A 39 23.992 -11.030 -6.387 1.00 45.12 H new ATOM 0 HB2 ASP A 39 26.072 -12.354 -7.010 1.00 20.03 H new ATOM 0 HB3 ASP A 39 26.263 -11.224 -5.684 1.00 20.03 H new ATOM 606 N GLN A 40 23.123 -14.118 -5.929 1.00 53.45 N ATOM 607 CA GLN A 40 22.446 -15.261 -6.529 1.00 70.45 C ATOM 608 C GLN A 40 20.966 -14.966 -6.746 1.00 55.22 C ATOM 609 O GLN A 40 20.290 -15.660 -7.505 1.00 34.23 O ATOM 610 CB GLN A 40 22.607 -16.498 -5.644 1.00 31.22 C ATOM 611 CG GLN A 40 23.835 -17.330 -5.977 1.00 40.33 C ATOM 612 CD GLN A 40 23.671 -18.125 -7.257 1.00 61.42 C ATOM 613 OE1 GLN A 40 22.953 -17.715 -8.169 1.00 40.14 O ATOM 614 NE2 GLN A 40 24.338 -19.271 -7.332 1.00 31.33 N ATOM 0 H GLN A 40 23.219 -14.169 -4.915 1.00 53.45 H new ATOM 0 HA GLN A 40 22.905 -15.454 -7.499 1.00 70.45 H new ATOM 0 HB2 GLN A 40 22.663 -16.184 -4.602 1.00 31.22 H new ATOM 0 HB3 GLN A 40 21.719 -17.122 -5.741 1.00 31.22 H new ATOM 0 HG2 GLN A 40 24.700 -16.673 -6.070 1.00 40.33 H new ATOM 0 HG3 GLN A 40 24.041 -18.013 -5.153 1.00 40.33 H new ATOM 0 HE21 GLN A 40 24.922 -19.573 -6.552 1.00 31.33 H new ATOM 0 HE22 GLN A 40 24.266 -19.849 -8.169 1.00 31.33 H new ATOM 623 N GLN A 41 20.469 -13.932 -6.075 1.00 2.32 N ATOM 624 CA GLN A 41 19.068 -13.546 -6.194 1.00 2.32 C ATOM 625 C GLN A 41 18.907 -12.367 -7.149 1.00 24.52 C ATOM 626 O GLN A 41 19.498 -11.307 -6.946 1.00 45.33 O ATOM 627 CB GLN A 41 18.498 -13.186 -4.821 1.00 11.02 C ATOM 628 CG GLN A 41 18.736 -14.253 -3.765 1.00 3.15 C ATOM 629 CD GLN A 41 18.438 -15.651 -4.269 1.00 52.13 C ATOM 630 OE1 GLN A 41 17.156 -15.986 -4.361 1.00 60.33 O flip ATOM 631 NE2 GLN A 41 19.349 -16.421 -4.573 1.00 63.33 N flip ATOM 0 H GLN A 41 21.016 -13.347 -5.443 1.00 2.32 H new ATOM 0 HA GLN A 41 18.517 -14.395 -6.598 1.00 2.32 H new ATOM 0 HB2 GLN A 41 18.944 -12.249 -4.486 1.00 11.02 H new ATOM 0 HB3 GLN A 41 17.426 -13.013 -4.916 1.00 11.02 H new ATOM 0 HG2 GLN A 41 19.773 -14.204 -3.432 1.00 3.15 H new ATOM 0 HG3 GLN A 41 18.112 -14.044 -2.896 1.00 3.15 H new ATOM 0 HE21 GLN A 41 20.320 -16.121 -4.487 1.00 63.33 H new ATOM 0 HE22 GLN A 41 19.133 -17.359 -4.911 1.00 63.33 H new ATOM 640 N ARG A 42 18.104 -12.561 -8.190 1.00 24.41 N ATOM 641 CA ARG A 42 17.867 -11.515 -9.177 1.00 64.12 C ATOM 642 C ARG A 42 16.380 -11.392 -9.492 1.00 75.04 C ATOM 643 O ARG A 42 15.629 -12.363 -9.386 1.00 40.04 O ATOM 644 CB ARG A 42 18.649 -11.808 -10.459 1.00 53.15 C ATOM 645 CG ARG A 42 18.905 -10.575 -11.311 1.00 64.41 C ATOM 646 CD ARG A 42 20.228 -9.916 -10.953 1.00 31.04 C ATOM 647 NE ARG A 42 20.858 -9.289 -12.111 1.00 4.52 N ATOM 648 CZ ARG A 42 20.429 -8.157 -12.658 1.00 3.42 C ATOM 649 NH1 ARG A 42 19.374 -7.531 -12.154 1.00 64.20 N ATOM 650 NH2 ARG A 42 21.056 -7.648 -13.711 1.00 2.22 N ATOM 0 H ARG A 42 17.607 -13.433 -8.372 1.00 24.41 H new ATOM 0 HA ARG A 42 18.211 -10.569 -8.758 1.00 64.12 H new ATOM 0 HB2 ARG A 42 19.604 -12.262 -10.196 1.00 53.15 H new ATOM 0 HB3 ARG A 42 18.100 -12.540 -11.050 1.00 53.15 H new ATOM 0 HG2 ARG A 42 18.909 -10.854 -12.365 1.00 64.41 H new ATOM 0 HG3 ARG A 42 18.093 -9.861 -11.174 1.00 64.41 H new ATOM 0 HD2 ARG A 42 20.062 -9.166 -10.180 1.00 31.04 H new ATOM 0 HD3 ARG A 42 20.903 -10.662 -10.533 1.00 31.04 H new ATOM 0 HE ARG A 42 21.672 -9.745 -12.523 1.00 4.52 H new ATOM 0 HH11 ARG A 42 18.890 -7.919 -11.344 1.00 64.20 H new ATOM 0 HH12 ARG A 42 19.047 -6.662 -12.576 1.00 64.20 H new ATOM 0 HH21 ARG A 42 21.868 -8.126 -14.101 1.00 2.22 H new ATOM 0 HH22 ARG A 42 20.726 -6.779 -14.130 1.00 2.22 H new ATOM 664 N LEU A 43 15.959 -10.193 -9.879 1.00 44.35 N ATOM 665 CA LEU A 43 14.561 -9.942 -10.210 1.00 11.32 C ATOM 666 C LEU A 43 14.387 -9.718 -11.709 1.00 20.33 C ATOM 667 O LEU A 43 15.239 -9.111 -12.358 1.00 72.24 O ATOM 668 CB LEU A 43 14.044 -8.726 -9.438 1.00 63.12 C ATOM 669 CG LEU A 43 13.542 -8.996 -8.019 1.00 52.34 C ATOM 670 CD1 LEU A 43 14.711 -9.166 -7.062 1.00 43.42 C ATOM 671 CD2 LEU A 43 12.629 -7.871 -7.554 1.00 54.23 C ATOM 0 H LEU A 43 16.566 -9.379 -9.971 1.00 44.35 H new ATOM 0 HA LEU A 43 13.983 -10.820 -9.923 1.00 11.32 H new ATOM 0 HB2 LEU A 43 14.844 -7.988 -9.385 1.00 63.12 H new ATOM 0 HB3 LEU A 43 13.232 -8.276 -10.010 1.00 63.12 H new ATOM 0 HG LEU A 43 12.969 -9.923 -8.027 1.00 52.34 H new ATOM 0 HD11 LEU A 43 14.334 -9.357 -6.057 1.00 43.42 H new ATOM 0 HD12 LEU A 43 15.326 -10.006 -7.385 1.00 43.42 H new ATOM 0 HD13 LEU A 43 15.312 -8.257 -7.057 1.00 43.42 H new ATOM 0 HD21 LEU A 43 12.281 -8.080 -6.542 1.00 54.23 H new ATOM 0 HD22 LEU A 43 13.178 -6.930 -7.562 1.00 54.23 H new ATOM 0 HD23 LEU A 43 11.773 -7.797 -8.224 1.00 54.23 H new ATOM 683 N ILE A 44 13.278 -10.211 -12.250 1.00 42.13 N ATOM 684 CA ILE A 44 12.992 -10.062 -13.672 1.00 15.14 C ATOM 685 C ILE A 44 11.545 -9.637 -13.899 1.00 72.10 C ATOM 686 O ILE A 44 10.635 -10.102 -13.212 1.00 74.04 O ATOM 687 CB ILE A 44 13.257 -11.370 -14.440 1.00 24.13 C ATOM 688 CG1 ILE A 44 14.702 -11.828 -14.226 1.00 35.21 C ATOM 689 CG2 ILE A 44 12.970 -11.182 -15.922 1.00 15.03 C ATOM 690 CD1 ILE A 44 14.883 -12.704 -13.006 1.00 43.10 C ATOM 0 H ILE A 44 12.564 -10.716 -11.726 1.00 42.13 H new ATOM 0 HA ILE A 44 13.660 -9.288 -14.049 1.00 15.14 H new ATOM 0 HB ILE A 44 12.590 -12.141 -14.056 1.00 24.13 H new ATOM 0 HG12 ILE A 44 15.036 -12.374 -15.108 1.00 35.21 H new ATOM 0 HG13 ILE A 44 15.343 -10.951 -14.132 1.00 35.21 H new ATOM 0 HG21 ILE A 44 13.162 -12.115 -16.451 1.00 15.03 H new ATOM 0 HG22 ILE A 44 11.927 -10.896 -16.057 1.00 15.03 H new ATOM 0 HG23 ILE A 44 13.615 -10.399 -16.321 1.00 15.03 H new ATOM 0 HD11 ILE A 44 15.931 -12.991 -12.916 1.00 43.10 H new ATOM 0 HD12 ILE A 44 14.580 -12.154 -12.115 1.00 43.10 H new ATOM 0 HD13 ILE A 44 14.269 -13.599 -13.106 1.00 43.10 H new ATOM 702 N PHE A 45 11.339 -8.752 -14.869 1.00 2.14 N ATOM 703 CA PHE A 45 10.002 -8.264 -15.188 1.00 65.40 C ATOM 704 C PHE A 45 9.798 -8.188 -16.698 1.00 51.12 C ATOM 705 O PHE A 45 10.339 -7.306 -17.365 1.00 24.43 O ATOM 706 CB PHE A 45 9.775 -6.887 -14.561 1.00 24.42 C ATOM 707 CG PHE A 45 8.364 -6.391 -14.699 1.00 24.23 C ATOM 708 CD1 PHE A 45 7.909 -5.885 -15.905 1.00 73.43 C ATOM 709 CD2 PHE A 45 7.494 -6.430 -13.621 1.00 61.22 C ATOM 710 CE1 PHE A 45 6.611 -5.428 -16.036 1.00 33.33 C ATOM 711 CE2 PHE A 45 6.195 -5.975 -13.746 1.00 1.03 C ATOM 712 CZ PHE A 45 5.753 -5.472 -14.954 1.00 62.30 C ATOM 0 H PHE A 45 12.081 -8.358 -15.448 1.00 2.14 H new ATOM 0 HA PHE A 45 9.278 -8.966 -14.776 1.00 65.40 H new ATOM 0 HB2 PHE A 45 10.034 -6.931 -13.503 1.00 24.42 H new ATOM 0 HB3 PHE A 45 10.451 -6.169 -15.025 1.00 24.42 H new ATOM 0 HD1 PHE A 45 8.576 -5.847 -16.753 1.00 73.43 H new ATOM 0 HD2 PHE A 45 7.835 -6.820 -12.673 1.00 61.22 H new ATOM 0 HE1 PHE A 45 6.268 -5.037 -16.983 1.00 33.33 H new ATOM 0 HE2 PHE A 45 5.526 -6.013 -12.899 1.00 1.03 H new ATOM 0 HZ PHE A 45 4.739 -5.114 -15.053 1.00 62.30 H new ATOM 722 N ALA A 46 9.013 -9.119 -17.231 1.00 12.42 N ATOM 723 CA ALA A 46 8.735 -9.156 -18.661 1.00 60.52 C ATOM 724 C ALA A 46 10.026 -9.114 -19.472 1.00 74.34 C ATOM 725 O ALA A 46 10.059 -8.573 -20.576 1.00 51.35 O ATOM 726 CB ALA A 46 7.825 -8.002 -19.053 1.00 2.41 C ATOM 0 H ALA A 46 8.559 -9.857 -16.694 1.00 12.42 H new ATOM 0 HA ALA A 46 8.227 -10.095 -18.883 1.00 60.52 H new ATOM 0 HB1 ALA A 46 7.626 -8.043 -20.124 1.00 2.41 H new ATOM 0 HB2 ALA A 46 6.885 -8.078 -18.506 1.00 2.41 H new ATOM 0 HB3 ALA A 46 8.311 -7.057 -18.810 1.00 2.41 H new ATOM 732 N GLY A 47 11.088 -9.689 -18.916 1.00 71.35 N ATOM 733 CA GLY A 47 12.367 -9.705 -19.602 1.00 73.23 C ATOM 734 C GLY A 47 13.242 -8.526 -19.225 1.00 74.22 C ATOM 735 O GLY A 47 14.197 -8.201 -19.931 1.00 20.35 O ATOM 0 H GLY A 47 11.086 -10.144 -18.003 1.00 71.35 H new ATOM 0 HA2 GLY A 47 12.890 -10.632 -19.367 1.00 73.23 H new ATOM 0 HA3 GLY A 47 12.198 -9.699 -20.679 1.00 73.23 H new ATOM 739 N LYS A 48 12.915 -7.882 -18.110 1.00 53.32 N ATOM 740 CA LYS A 48 13.677 -6.731 -17.639 1.00 73.25 C ATOM 741 C LYS A 48 14.404 -7.055 -16.338 1.00 75.52 C ATOM 742 O LYS A 48 13.776 -7.387 -15.333 1.00 71.41 O ATOM 743 CB LYS A 48 12.751 -5.530 -17.433 1.00 61.14 C ATOM 744 CG LYS A 48 11.928 -5.179 -18.661 1.00 4.42 C ATOM 745 CD LYS A 48 12.779 -4.515 -19.731 1.00 11.22 C ATOM 746 CE LYS A 48 12.810 -3.004 -19.560 1.00 52.34 C ATOM 747 NZ LYS A 48 13.162 -2.309 -20.830 1.00 35.40 N ATOM 0 H LYS A 48 12.127 -8.138 -17.515 1.00 53.32 H new ATOM 0 HA LYS A 48 14.420 -6.484 -18.397 1.00 73.25 H new ATOM 0 HB2 LYS A 48 12.077 -5.740 -16.602 1.00 61.14 H new ATOM 0 HB3 LYS A 48 13.350 -4.665 -17.148 1.00 61.14 H new ATOM 0 HG2 LYS A 48 11.473 -6.083 -19.066 1.00 4.42 H new ATOM 0 HG3 LYS A 48 11.114 -4.512 -18.376 1.00 4.42 H new ATOM 0 HD2 LYS A 48 13.795 -4.908 -19.686 1.00 11.22 H new ATOM 0 HD3 LYS A 48 12.385 -4.763 -20.717 1.00 11.22 H new ATOM 0 HE2 LYS A 48 11.836 -2.658 -19.214 1.00 52.34 H new ATOM 0 HE3 LYS A 48 13.534 -2.741 -18.789 1.00 52.34 H new ATOM 0 HZ1 LYS A 48 13.173 -1.281 -20.672 1.00 35.40 H new ATOM 0 HZ2 LYS A 48 14.102 -2.620 -21.147 1.00 35.40 H new ATOM 0 HZ3 LYS A 48 12.457 -2.540 -21.559 1.00 35.40 H new ATOM 761 N GLN A 49 15.729 -6.955 -16.365 1.00 74.50 N ATOM 762 CA GLN A 49 16.539 -7.238 -15.186 1.00 45.35 C ATOM 763 C GLN A 49 16.510 -6.065 -14.212 1.00 33.02 C ATOM 764 O GLN A 49 16.849 -4.937 -14.571 1.00 1.31 O ATOM 765 CB GLN A 49 17.982 -7.541 -15.595 1.00 2.54 C ATOM 766 CG GLN A 49 18.237 -9.011 -15.881 1.00 64.44 C ATOM 767 CD GLN A 49 19.670 -9.286 -16.295 1.00 11.54 C ATOM 768 OE1 GLN A 49 20.399 -8.376 -16.691 1.00 12.41 O ATOM 769 NE2 GLN A 49 20.082 -10.545 -16.204 1.00 11.40 N ATOM 0 H GLN A 49 16.264 -6.681 -17.189 1.00 74.50 H new ATOM 0 HA GLN A 49 16.118 -8.111 -14.687 1.00 45.35 H new ATOM 0 HB2 GLN A 49 18.229 -6.959 -16.483 1.00 2.54 H new ATOM 0 HB3 GLN A 49 18.653 -7.212 -14.801 1.00 2.54 H new ATOM 0 HG2 GLN A 49 18.001 -9.596 -14.992 1.00 64.44 H new ATOM 0 HG3 GLN A 49 17.564 -9.345 -16.671 1.00 64.44 H new ATOM 0 HE21 GLN A 49 19.444 -11.268 -15.871 1.00 11.40 H new ATOM 0 HE22 GLN A 49 21.037 -10.790 -16.468 1.00 11.40 H new ATOM 778 N LEU A 50 16.102 -6.338 -12.978 1.00 33.55 N ATOM 779 CA LEU A 50 16.027 -5.306 -11.950 1.00 2.31 C ATOM 780 C LEU A 50 17.244 -5.362 -11.032 1.00 31.33 C ATOM 781 O LEU A 50 17.498 -6.378 -10.386 1.00 24.14 O ATOM 782 CB LEU A 50 14.747 -5.467 -11.129 1.00 14.21 C ATOM 783 CG LEU A 50 13.517 -5.960 -11.893 1.00 2.22 C ATOM 784 CD1 LEU A 50 12.317 -6.060 -10.965 1.00 14.23 C ATOM 785 CD2 LEU A 50 13.212 -5.038 -13.065 1.00 24.04 C ATOM 0 H LEU A 50 15.818 -7.266 -12.665 1.00 33.55 H new ATOM 0 HA LEU A 50 16.013 -4.335 -12.446 1.00 2.31 H new ATOM 0 HB2 LEU A 50 14.947 -6.163 -10.314 1.00 14.21 H new ATOM 0 HB3 LEU A 50 14.507 -4.505 -10.675 1.00 14.21 H new ATOM 0 HG LEU A 50 13.731 -6.954 -12.285 1.00 2.22 H new ATOM 0 HD11 LEU A 50 11.451 -6.412 -11.526 1.00 14.23 H new ATOM 0 HD12 LEU A 50 12.537 -6.761 -10.160 1.00 14.23 H new ATOM 0 HD13 LEU A 50 12.101 -5.079 -10.543 1.00 14.23 H new ATOM 0 HD21 LEU A 50 12.334 -5.404 -13.597 1.00 24.04 H new ATOM 0 HD22 LEU A 50 13.018 -4.031 -12.695 1.00 24.04 H new ATOM 0 HD23 LEU A 50 14.065 -5.018 -13.743 1.00 24.04 H new ATOM 797 N GLU A 51 17.990 -4.264 -10.978 1.00 44.44 N ATOM 798 CA GLU A 51 19.180 -4.189 -10.138 1.00 15.22 C ATOM 799 C GLU A 51 18.904 -3.374 -8.877 1.00 45.44 C ATOM 800 O GLU A 51 17.829 -2.795 -8.722 1.00 40.21 O ATOM 801 CB GLU A 51 20.343 -3.569 -10.915 1.00 72.43 C ATOM 802 CG GLU A 51 20.838 -4.435 -12.061 1.00 64.23 C ATOM 803 CD GLU A 51 22.178 -3.975 -12.603 1.00 72.12 C ATOM 804 OE1 GLU A 51 22.455 -4.232 -13.794 1.00 2.44 O ATOM 805 OE2 GLU A 51 22.948 -3.359 -11.838 1.00 23.14 O ATOM 0 H GLU A 51 17.792 -3.414 -11.506 1.00 44.44 H new ATOM 0 HA GLU A 51 19.450 -5.203 -9.844 1.00 15.22 H new ATOM 0 HB2 GLU A 51 20.031 -2.602 -11.310 1.00 72.43 H new ATOM 0 HB3 GLU A 51 21.169 -3.382 -10.229 1.00 72.43 H new ATOM 0 HG2 GLU A 51 20.923 -5.467 -11.721 1.00 64.23 H new ATOM 0 HG3 GLU A 51 20.102 -4.423 -12.865 1.00 64.23 H new ATOM 812 N ASP A 52 19.884 -3.334 -7.981 1.00 15.15 N ATOM 813 CA ASP A 52 19.748 -2.590 -6.734 1.00 4.24 C ATOM 814 C ASP A 52 19.435 -1.122 -7.008 1.00 21.22 C ATOM 815 O ASP A 52 18.778 -0.457 -6.207 1.00 73.40 O ATOM 816 CB ASP A 52 21.029 -2.705 -5.905 1.00 51.51 C ATOM 817 CG ASP A 52 22.235 -2.129 -6.621 1.00 1.13 C ATOM 818 OD1 ASP A 52 22.658 -1.009 -6.265 1.00 0.25 O ATOM 819 OD2 ASP A 52 22.757 -2.799 -7.536 1.00 53.42 O ATOM 0 H ASP A 52 20.780 -3.807 -8.095 1.00 15.15 H new ATOM 0 HA ASP A 52 18.920 -3.020 -6.171 1.00 4.24 H new ATOM 0 HB2 ASP A 52 20.892 -2.187 -4.956 1.00 51.51 H new ATOM 0 HB3 ASP A 52 21.215 -3.753 -5.672 1.00 51.51 H new ATOM 824 N SER A 53 19.911 -0.623 -8.144 1.00 51.01 N ATOM 825 CA SER A 53 19.686 0.767 -8.522 1.00 12.43 C ATOM 826 C SER A 53 18.274 0.961 -9.067 1.00 31.54 C ATOM 827 O SER A 53 17.784 2.085 -9.172 1.00 45.31 O ATOM 828 CB SER A 53 20.713 1.207 -9.567 1.00 73.31 C ATOM 829 OG SER A 53 20.852 2.617 -9.584 1.00 75.15 O ATOM 0 H SER A 53 20.455 -1.161 -8.819 1.00 51.01 H new ATOM 0 HA SER A 53 19.800 1.382 -7.630 1.00 12.43 H new ATOM 0 HB2 SER A 53 21.677 0.746 -9.351 1.00 73.31 H new ATOM 0 HB3 SER A 53 20.406 0.857 -10.553 1.00 73.31 H new ATOM 0 HG SER A 53 21.515 2.872 -10.259 1.00 75.15 H new ATOM 835 N LYS A 54 17.623 -0.145 -9.412 1.00 65.50 N ATOM 836 CA LYS A 54 16.267 -0.101 -9.945 1.00 62.13 C ATOM 837 C LYS A 54 15.246 -0.446 -8.865 1.00 44.55 C ATOM 838 O LYS A 54 15.530 -1.222 -7.952 1.00 43.43 O ATOM 839 CB LYS A 54 16.128 -1.070 -11.122 1.00 33.14 C ATOM 840 CG LYS A 54 17.130 -0.822 -12.236 1.00 33.32 C ATOM 841 CD LYS A 54 16.924 0.539 -12.878 1.00 4.51 C ATOM 842 CE LYS A 54 17.933 0.790 -13.988 1.00 62.03 C ATOM 843 NZ LYS A 54 19.326 0.866 -13.466 1.00 14.21 N ATOM 0 H LYS A 54 18.014 -1.084 -9.332 1.00 65.50 H new ATOM 0 HA LYS A 54 16.073 0.914 -10.293 1.00 62.13 H new ATOM 0 HB2 LYS A 54 16.248 -2.090 -10.758 1.00 33.14 H new ATOM 0 HB3 LYS A 54 15.119 -0.993 -11.528 1.00 33.14 H new ATOM 0 HG2 LYS A 54 18.142 -0.888 -11.837 1.00 33.32 H new ATOM 0 HG3 LYS A 54 17.034 -1.601 -12.993 1.00 33.32 H new ATOM 0 HD2 LYS A 54 15.914 0.603 -13.282 1.00 4.51 H new ATOM 0 HD3 LYS A 54 17.014 1.317 -12.120 1.00 4.51 H new ATOM 0 HE2 LYS A 54 17.865 -0.008 -14.727 1.00 62.03 H new ATOM 0 HE3 LYS A 54 17.686 1.720 -14.500 1.00 62.03 H new ATOM 0 HZ1 LYS A 54 19.958 1.220 -14.213 1.00 14.21 H new ATOM 0 HZ2 LYS A 54 19.357 1.512 -12.652 1.00 14.21 H new ATOM 0 HZ3 LYS A 54 19.637 -0.081 -13.169 1.00 14.21 H new ATOM 857 N THR A 55 14.056 0.135 -8.976 1.00 54.31 N ATOM 858 CA THR A 55 12.993 -0.110 -8.010 1.00 33.43 C ATOM 859 C THR A 55 11.637 -0.216 -8.699 1.00 11.54 C ATOM 860 O THR A 55 11.522 0.014 -9.902 1.00 43.50 O ATOM 861 CB THR A 55 12.931 1.003 -6.947 1.00 50.02 C ATOM 862 OG1 THR A 55 12.796 2.279 -7.582 1.00 44.33 O ATOM 863 CG2 THR A 55 14.180 0.992 -6.079 1.00 10.22 C ATOM 0 H THR A 55 13.804 0.779 -9.726 1.00 54.31 H new ATOM 0 HA THR A 55 13.224 -1.056 -7.521 1.00 33.43 H new ATOM 0 HB THR A 55 12.065 0.821 -6.311 1.00 50.02 H new ATOM 0 HG1 THR A 55 12.756 2.981 -6.900 1.00 44.33 H new ATOM 0 HG21 THR A 55 14.114 1.787 -5.336 1.00 10.22 H new ATOM 0 HG22 THR A 55 14.264 0.029 -5.575 1.00 10.22 H new ATOM 0 HG23 THR A 55 15.059 1.152 -6.704 1.00 10.22 H new ATOM 871 N MET A 56 10.612 -0.564 -7.927 1.00 40.35 N ATOM 872 CA MET A 56 9.263 -0.697 -8.465 1.00 32.14 C ATOM 873 C MET A 56 8.843 0.571 -9.201 1.00 12.23 C ATOM 874 O MET A 56 8.418 0.518 -10.354 1.00 52.34 O ATOM 875 CB MET A 56 8.271 -1.000 -7.340 1.00 32.20 C ATOM 876 CG MET A 56 8.664 -2.197 -6.489 1.00 1.53 C ATOM 877 SD MET A 56 8.889 -3.698 -7.462 1.00 11.31 S ATOM 878 CE MET A 56 9.521 -4.818 -6.215 1.00 44.35 C ATOM 0 H MET A 56 10.690 -0.759 -6.929 1.00 40.35 H new ATOM 0 HA MET A 56 9.262 -1.524 -9.175 1.00 32.14 H new ATOM 0 HB2 MET A 56 8.182 -0.123 -6.699 1.00 32.20 H new ATOM 0 HB3 MET A 56 7.287 -1.180 -7.773 1.00 32.20 H new ATOM 0 HG2 MET A 56 9.588 -1.972 -5.957 1.00 1.53 H new ATOM 0 HG3 MET A 56 7.896 -2.369 -5.735 1.00 1.53 H new ATOM 0 HE1 MET A 56 10.581 -5.000 -6.393 1.00 44.35 H new ATOM 0 HE2 MET A 56 9.390 -4.375 -5.228 1.00 44.35 H new ATOM 0 HE3 MET A 56 8.977 -5.761 -6.264 1.00 44.35 H new ATOM 888 N ALA A 57 8.965 1.710 -8.526 1.00 34.42 N ATOM 889 CA ALA A 57 8.599 2.991 -9.117 1.00 22.20 C ATOM 890 C ALA A 57 9.431 3.278 -10.362 1.00 41.12 C ATOM 891 O ALA A 57 8.909 3.745 -11.375 1.00 4.53 O ATOM 892 CB ALA A 57 8.767 4.109 -8.099 1.00 34.24 C ATOM 0 H ALA A 57 9.314 1.771 -7.570 1.00 34.42 H new ATOM 0 HA ALA A 57 7.552 2.940 -9.415 1.00 22.20 H new ATOM 0 HB1 ALA A 57 8.490 5.060 -8.554 1.00 34.24 H new ATOM 0 HB2 ALA A 57 8.125 3.918 -7.239 1.00 34.24 H new ATOM 0 HB3 ALA A 57 9.806 4.152 -7.773 1.00 34.24 H new ATOM 898 N ASP A 58 10.727 2.997 -10.280 1.00 73.53 N ATOM 899 CA ASP A 58 11.631 3.224 -11.401 1.00 42.53 C ATOM 900 C ASP A 58 11.132 2.514 -12.655 1.00 61.44 C ATOM 901 O ASP A 58 11.212 3.052 -13.760 1.00 13.13 O ATOM 902 CB ASP A 58 13.040 2.743 -11.053 1.00 64.55 C ATOM 903 CG ASP A 58 14.114 3.497 -11.812 1.00 42.33 C ATOM 904 OD1 ASP A 58 14.515 3.028 -12.898 1.00 61.21 O ATOM 905 OD2 ASP A 58 14.553 4.558 -11.321 1.00 20.12 O ATOM 0 H ASP A 58 11.175 2.612 -9.449 1.00 73.53 H new ATOM 0 HA ASP A 58 11.660 4.295 -11.600 1.00 42.53 H new ATOM 0 HB2 ASP A 58 13.206 2.860 -9.982 1.00 64.55 H new ATOM 0 HB3 ASP A 58 13.122 1.679 -11.274 1.00 64.55 H new ATOM 910 N TYR A 59 10.619 1.301 -12.477 1.00 51.43 N ATOM 911 CA TYR A 59 10.110 0.515 -13.595 1.00 2.02 C ATOM 912 C TYR A 59 8.622 0.773 -13.809 1.00 72.43 C ATOM 913 O TYR A 59 7.957 0.053 -14.554 1.00 2.42 O ATOM 914 CB TYR A 59 10.351 -0.975 -13.348 1.00 70.33 C ATOM 915 CG TYR A 59 11.632 -1.492 -13.963 1.00 41.54 C ATOM 916 CD1 TYR A 59 12.807 -1.548 -13.224 1.00 21.12 C ATOM 917 CD2 TYR A 59 11.668 -1.922 -15.284 1.00 1.40 C ATOM 918 CE1 TYR A 59 13.980 -2.018 -13.782 1.00 23.44 C ATOM 919 CE2 TYR A 59 12.836 -2.395 -15.850 1.00 2.34 C ATOM 920 CZ TYR A 59 13.990 -2.441 -15.095 1.00 14.14 C ATOM 921 OH TYR A 59 15.156 -2.910 -15.655 1.00 34.22 O ATOM 0 H TYR A 59 10.545 0.841 -11.570 1.00 51.43 H new ATOM 0 HA TYR A 59 10.645 0.819 -14.494 1.00 2.02 H new ATOM 0 HB2 TYR A 59 10.374 -1.157 -12.274 1.00 70.33 H new ATOM 0 HB3 TYR A 59 9.511 -1.542 -13.749 1.00 70.33 H new ATOM 0 HD1 TYR A 59 12.803 -1.218 -12.196 1.00 21.12 H new ATOM 0 HD2 TYR A 59 10.767 -1.886 -15.879 1.00 1.40 H new ATOM 0 HE1 TYR A 59 14.885 -2.054 -13.193 1.00 23.44 H new ATOM 0 HE2 TYR A 59 12.846 -2.727 -16.878 1.00 2.34 H new ATOM 0 HH TYR A 59 15.565 -3.569 -15.055 1.00 34.22 H new ATOM 931 N ASN A 60 8.106 1.805 -13.151 1.00 12.42 N ATOM 932 CA ASN A 60 6.696 2.160 -13.268 1.00 60.45 C ATOM 933 C ASN A 60 5.807 0.946 -13.012 1.00 41.43 C ATOM 934 O ASN A 60 4.726 0.823 -13.589 1.00 43.45 O ATOM 935 CB ASN A 60 6.407 2.733 -14.657 1.00 41.51 C ATOM 936 CG ASN A 60 7.304 3.909 -14.995 1.00 70.30 C ATOM 937 OD1 ASN A 60 7.971 4.466 -14.123 1.00 14.01 O ATOM 938 ND2 ASN A 60 7.324 4.291 -16.267 1.00 11.04 N ATOM 0 H ASN A 60 8.643 2.411 -12.531 1.00 12.42 H new ATOM 0 HA ASN A 60 6.473 2.917 -12.516 1.00 60.45 H new ATOM 0 HB2 ASN A 60 6.540 1.951 -15.405 1.00 41.51 H new ATOM 0 HB3 ASN A 60 5.365 3.048 -14.708 1.00 41.51 H new ATOM 0 HD21 ASN A 60 7.909 5.076 -16.555 1.00 11.04 H new ATOM 0 HD22 ASN A 60 6.755 3.800 -16.956 1.00 11.04 H new ATOM 945 N ILE A 61 6.270 0.054 -12.143 1.00 75.13 N ATOM 946 CA ILE A 61 5.516 -1.148 -11.810 1.00 31.24 C ATOM 947 C ILE A 61 4.955 -1.070 -10.394 1.00 20.03 C ATOM 948 O ILE A 61 5.706 -1.062 -9.419 1.00 14.35 O ATOM 949 CB ILE A 61 6.387 -2.412 -11.936 1.00 0.04 C ATOM 950 CG1 ILE A 61 7.757 -2.179 -11.296 1.00 64.01 C ATOM 951 CG2 ILE A 61 6.539 -2.807 -13.397 1.00 33.21 C ATOM 952 CD1 ILE A 61 8.655 -3.396 -11.330 1.00 71.23 C ATOM 0 H ILE A 61 7.163 0.141 -11.657 1.00 75.13 H new ATOM 0 HA ILE A 61 4.693 -1.212 -12.522 1.00 31.24 H new ATOM 0 HB ILE A 61 5.895 -3.229 -11.409 1.00 0.04 H new ATOM 0 HG12 ILE A 61 8.254 -1.356 -11.810 1.00 64.01 H new ATOM 0 HG13 ILE A 61 7.617 -1.870 -10.260 1.00 64.01 H new ATOM 0 HG21 ILE A 61 7.157 -3.702 -13.470 1.00 33.21 H new ATOM 0 HG22 ILE A 61 5.556 -3.009 -13.823 1.00 33.21 H new ATOM 0 HG23 ILE A 61 7.013 -1.993 -13.946 1.00 33.21 H new ATOM 0 HD11 ILE A 61 9.609 -3.158 -10.859 1.00 71.23 H new ATOM 0 HD12 ILE A 61 8.179 -4.215 -10.791 1.00 71.23 H new ATOM 0 HD13 ILE A 61 8.825 -3.694 -12.365 1.00 71.23 H new ATOM 964 N GLN A 62 3.631 -1.015 -10.290 1.00 2.33 N ATOM 965 CA GLN A 62 2.970 -0.939 -8.992 1.00 52.44 C ATOM 966 C GLN A 62 1.525 -1.417 -9.089 1.00 51.11 C ATOM 967 O GLN A 62 1.088 -1.901 -10.134 1.00 23.15 O ATOM 968 CB GLN A 62 3.011 0.494 -8.459 1.00 14.41 C ATOM 969 CG GLN A 62 4.305 0.840 -7.741 1.00 22.21 C ATOM 970 CD GLN A 62 4.107 1.861 -6.638 1.00 54.25 C ATOM 971 OE1 GLN A 62 3.065 2.512 -6.560 1.00 55.41 O ATOM 972 NE2 GLN A 62 5.108 2.007 -5.779 1.00 30.24 N ATOM 0 H GLN A 62 2.995 -1.022 -11.088 1.00 2.33 H new ATOM 0 HA GLN A 62 3.504 -1.592 -8.301 1.00 52.44 H new ATOM 0 HB2 GLN A 62 2.870 1.186 -9.290 1.00 14.41 H new ATOM 0 HB3 GLN A 62 2.175 0.642 -7.775 1.00 14.41 H new ATOM 0 HG2 GLN A 62 4.735 -0.068 -7.317 1.00 22.21 H new ATOM 0 HG3 GLN A 62 5.024 1.226 -8.463 1.00 22.21 H new ATOM 0 HE21 GLN A 62 5.954 1.446 -5.881 1.00 30.24 H new ATOM 0 HE22 GLN A 62 5.032 2.680 -5.016 1.00 30.24 H new ATOM 981 N LYS A 63 0.787 -1.279 -7.993 1.00 54.51 N ATOM 982 CA LYS A 63 -0.610 -1.695 -7.953 1.00 71.33 C ATOM 983 C LYS A 63 -0.736 -3.199 -8.175 1.00 23.23 C ATOM 984 O LYS A 63 -1.310 -3.643 -9.169 1.00 25.04 O ATOM 985 CB LYS A 63 -1.418 -0.944 -9.013 1.00 55.33 C ATOM 986 CG LYS A 63 -2.015 0.360 -8.512 1.00 50.12 C ATOM 987 CD LYS A 63 -2.289 1.324 -9.655 1.00 22.43 C ATOM 988 CE LYS A 63 -1.000 1.913 -10.208 1.00 33.30 C ATOM 989 NZ LYS A 63 -1.259 3.091 -11.080 1.00 40.54 N ATOM 0 H LYS A 63 1.133 -0.882 -7.120 1.00 54.51 H new ATOM 0 HA LYS A 63 -1.006 -1.456 -6.966 1.00 71.33 H new ATOM 0 HB2 LYS A 63 -0.774 -0.735 -9.867 1.00 55.33 H new ATOM 0 HB3 LYS A 63 -2.222 -1.588 -9.369 1.00 55.33 H new ATOM 0 HG2 LYS A 63 -2.943 0.155 -7.978 1.00 50.12 H new ATOM 0 HG3 LYS A 63 -1.333 0.824 -7.800 1.00 50.12 H new ATOM 0 HD2 LYS A 63 -2.824 0.805 -10.450 1.00 22.43 H new ATOM 0 HD3 LYS A 63 -2.938 2.128 -9.307 1.00 22.43 H new ATOM 0 HE2 LYS A 63 -0.352 2.207 -9.383 1.00 33.30 H new ATOM 0 HE3 LYS A 63 -0.467 1.151 -10.776 1.00 33.30 H new ATOM 0 HZ1 LYS A 63 -0.356 3.464 -11.437 1.00 40.54 H new ATOM 0 HZ2 LYS A 63 -1.857 2.805 -11.882 1.00 40.54 H new ATOM 0 HZ3 LYS A 63 -1.745 3.829 -10.531 1.00 40.54 H new ATOM 1003 N GLU A 64 -0.197 -3.977 -7.241 1.00 65.44 N ATOM 1004 CA GLU A 64 -0.250 -5.432 -7.336 1.00 2.50 C ATOM 1005 C GLU A 64 0.489 -5.923 -8.577 1.00 73.45 C ATOM 1006 O GLU A 64 0.211 -7.008 -9.089 1.00 30.10 O ATOM 1007 CB GLU A 64 -1.703 -5.910 -7.371 1.00 1.34 C ATOM 1008 CG GLU A 64 -2.541 -5.393 -6.214 1.00 15.42 C ATOM 1009 CD GLU A 64 -3.019 -6.502 -5.297 1.00 64.43 C ATOM 1010 OE1 GLU A 64 -3.659 -7.451 -5.798 1.00 44.33 O ATOM 1011 OE2 GLU A 64 -2.753 -6.423 -4.080 1.00 4.21 O ATOM 0 H GLU A 64 0.281 -3.625 -6.411 1.00 65.44 H new ATOM 0 HA GLU A 64 0.240 -5.847 -6.455 1.00 2.50 H new ATOM 0 HB2 GLU A 64 -2.159 -5.593 -8.309 1.00 1.34 H new ATOM 0 HB3 GLU A 64 -1.719 -7.000 -7.362 1.00 1.34 H new ATOM 0 HG2 GLU A 64 -1.955 -4.677 -5.637 1.00 15.42 H new ATOM 0 HG3 GLU A 64 -3.404 -4.855 -6.607 1.00 15.42 H new ATOM 1018 N SER A 65 1.430 -5.117 -9.057 1.00 24.10 N ATOM 1019 CA SER A 65 2.206 -5.467 -10.241 1.00 23.31 C ATOM 1020 C SER A 65 2.775 -6.878 -10.120 1.00 5.42 C ATOM 1021 O SER A 65 3.050 -7.358 -9.019 1.00 54.43 O ATOM 1022 CB SER A 65 3.342 -4.463 -10.448 1.00 13.11 C ATOM 1023 OG SER A 65 2.955 -3.433 -11.341 1.00 70.13 O ATOM 0 H SER A 65 1.674 -4.217 -8.644 1.00 24.10 H new ATOM 0 HA SER A 65 1.541 -5.435 -11.104 1.00 23.31 H new ATOM 0 HB2 SER A 65 3.628 -4.030 -9.490 1.00 13.11 H new ATOM 0 HB3 SER A 65 4.220 -4.977 -10.839 1.00 13.11 H new ATOM 0 HG SER A 65 2.220 -2.918 -10.948 1.00 70.13 H new ATOM 1029 N THR A 66 2.951 -7.538 -11.260 1.00 61.12 N ATOM 1030 CA THR A 66 3.486 -8.894 -11.284 1.00 1.52 C ATOM 1031 C THR A 66 5.009 -8.885 -11.210 1.00 33.03 C ATOM 1032 O THR A 66 5.663 -8.004 -11.769 1.00 52.11 O ATOM 1033 CB THR A 66 3.049 -9.648 -12.554 1.00 5.12 C ATOM 1034 OG1 THR A 66 1.621 -9.726 -12.610 1.00 72.23 O ATOM 1035 CG2 THR A 66 3.641 -11.049 -12.581 1.00 73.21 C ATOM 0 H THR A 66 2.731 -7.155 -12.180 1.00 61.12 H new ATOM 0 HA THR A 66 3.085 -9.408 -10.410 1.00 1.52 H new ATOM 0 HB THR A 66 3.416 -9.099 -13.421 1.00 5.12 H new ATOM 0 HG1 THR A 66 1.351 -10.205 -13.421 1.00 72.23 H new ATOM 0 HG21 THR A 66 3.319 -11.563 -13.487 1.00 73.21 H new ATOM 0 HG22 THR A 66 4.729 -10.985 -12.568 1.00 73.21 H new ATOM 0 HG23 THR A 66 3.300 -11.605 -11.708 1.00 73.21 H new ATOM 1043 N LEU A 67 5.568 -9.871 -10.517 1.00 41.10 N ATOM 1044 CA LEU A 67 7.016 -9.978 -10.371 1.00 14.55 C ATOM 1045 C LEU A 67 7.477 -11.420 -10.553 1.00 54.01 C ATOM 1046 O LEU A 67 6.681 -12.354 -10.455 1.00 75.42 O ATOM 1047 CB LEU A 67 7.448 -9.462 -8.997 1.00 3.11 C ATOM 1048 CG LEU A 67 8.026 -8.047 -8.963 1.00 1.42 C ATOM 1049 CD1 LEU A 67 9.241 -7.944 -9.871 1.00 63.14 C ATOM 1050 CD2 LEU A 67 6.969 -7.029 -9.366 1.00 71.01 C ATOM 0 H LEU A 67 5.041 -10.608 -10.048 1.00 41.10 H new ATOM 0 HA LEU A 67 7.481 -9.368 -11.145 1.00 14.55 H new ATOM 0 HB2 LEU A 67 6.586 -9.497 -8.331 1.00 3.11 H new ATOM 0 HB3 LEU A 67 8.193 -10.147 -8.591 1.00 3.11 H new ATOM 0 HG LEU A 67 8.341 -7.829 -7.943 1.00 1.42 H new ATOM 0 HD11 LEU A 67 9.638 -6.930 -9.833 1.00 63.14 H new ATOM 0 HD12 LEU A 67 10.005 -8.646 -9.537 1.00 63.14 H new ATOM 0 HD13 LEU A 67 8.952 -8.183 -10.894 1.00 63.14 H new ATOM 0 HD21 LEU A 67 7.398 -6.028 -9.336 1.00 71.01 H new ATOM 0 HD22 LEU A 67 6.622 -7.245 -10.377 1.00 71.01 H new ATOM 0 HD23 LEU A 67 6.128 -7.084 -8.674 1.00 71.01 H new ATOM 1062 N HIS A 68 8.768 -11.594 -10.817 1.00 73.41 N ATOM 1063 CA HIS A 68 9.336 -12.924 -11.011 1.00 13.25 C ATOM 1064 C HIS A 68 10.630 -13.082 -10.218 1.00 61.04 C ATOM 1065 O HIS A 68 11.614 -12.389 -10.475 1.00 22.04 O ATOM 1066 CB HIS A 68 9.598 -13.178 -12.495 1.00 63.31 C ATOM 1067 CG HIS A 68 8.353 -13.423 -13.290 1.00 71.03 C ATOM 1068 ND1 HIS A 68 7.892 -14.686 -13.597 1.00 51.22 N ATOM 1069 CD2 HIS A 68 7.470 -12.558 -13.841 1.00 13.41 C ATOM 1070 CE1 HIS A 68 6.780 -14.587 -14.304 1.00 1.43 C ATOM 1071 NE2 HIS A 68 6.502 -13.306 -14.465 1.00 51.41 N ATOM 0 H HIS A 68 9.440 -10.832 -10.902 1.00 73.41 H new ATOM 0 HA HIS A 68 8.616 -13.657 -10.647 1.00 13.25 H new ATOM 0 HB2 HIS A 68 10.124 -12.320 -12.914 1.00 63.31 H new ATOM 0 HB3 HIS A 68 10.259 -14.039 -12.597 1.00 63.31 H new ATOM 0 HD2 HIS A 68 7.518 -11.480 -13.798 1.00 13.41 H new ATOM 0 HE1 HIS A 68 6.198 -15.413 -14.685 1.00 1.43 H new ATOM 0 HE2 HIS A 68 5.699 -12.933 -14.971 1.00 51.41 H new ATOM 1079 N MET A 69 10.621 -13.998 -9.255 1.00 54.23 N ATOM 1080 CA MET A 69 11.794 -14.247 -8.426 1.00 44.44 C ATOM 1081 C MET A 69 12.345 -15.648 -8.670 1.00 73.20 C ATOM 1082 O MET A 69 11.614 -16.636 -8.590 1.00 12.43 O ATOM 1083 CB MET A 69 11.446 -14.073 -6.947 1.00 4.32 C ATOM 1084 CG MET A 69 12.645 -14.207 -6.021 1.00 15.51 C ATOM 1085 SD MET A 69 13.894 -12.941 -6.315 1.00 45.22 S ATOM 1086 CE MET A 69 15.354 -13.953 -6.545 1.00 20.32 C ATOM 0 H MET A 69 9.814 -14.580 -9.030 1.00 54.23 H new ATOM 0 HA MET A 69 12.561 -13.522 -8.699 1.00 44.44 H new ATOM 0 HB2 MET A 69 10.993 -13.092 -6.802 1.00 4.32 H new ATOM 0 HB3 MET A 69 10.697 -14.815 -6.669 1.00 4.32 H new ATOM 0 HG2 MET A 69 12.308 -14.146 -4.986 1.00 15.51 H new ATOM 0 HG3 MET A 69 13.093 -15.192 -6.153 1.00 15.51 H new ATOM 0 HE1 MET A 69 16.241 -13.319 -6.542 1.00 20.32 H new ATOM 0 HE2 MET A 69 15.424 -14.679 -5.735 1.00 20.32 H new ATOM 0 HE3 MET A 69 15.287 -14.478 -7.498 1.00 20.32 H new ATOM 1096 N VAL A 70 13.638 -15.728 -8.968 1.00 74.04 N ATOM 1097 CA VAL A 70 14.286 -17.009 -9.223 1.00 12.00 C ATOM 1098 C VAL A 70 15.419 -17.258 -8.234 1.00 12.23 C ATOM 1099 O VAL A 70 16.343 -16.452 -8.115 1.00 53.32 O ATOM 1100 CB VAL A 70 14.846 -17.080 -10.656 1.00 53.31 C ATOM 1101 CG1 VAL A 70 13.713 -17.131 -11.670 1.00 40.51 C ATOM 1102 CG2 VAL A 70 15.763 -15.897 -10.928 1.00 62.22 C ATOM 0 H VAL A 70 14.257 -14.921 -9.039 1.00 74.04 H new ATOM 0 HA VAL A 70 13.524 -17.779 -9.100 1.00 12.00 H new ATOM 0 HB VAL A 70 15.431 -17.994 -10.754 1.00 53.31 H new ATOM 0 HG11 VAL A 70 14.128 -17.181 -12.677 1.00 40.51 H new ATOM 0 HG12 VAL A 70 13.100 -18.013 -11.486 1.00 40.51 H new ATOM 0 HG13 VAL A 70 13.099 -16.236 -11.575 1.00 40.51 H new ATOM 0 HG21 VAL A 70 16.150 -15.963 -11.945 1.00 62.22 H new ATOM 0 HG22 VAL A 70 15.204 -14.969 -10.812 1.00 62.22 H new ATOM 0 HG23 VAL A 70 16.594 -15.911 -10.222 1.00 62.22 H new ATOM 1112 N LEU A 71 15.342 -18.379 -7.525 1.00 43.30 N ATOM 1113 CA LEU A 71 16.362 -18.735 -6.545 1.00 23.41 C ATOM 1114 C LEU A 71 17.229 -19.882 -7.054 1.00 64.31 C ATOM 1115 O LEU A 71 16.721 -20.870 -7.584 1.00 33.32 O ATOM 1116 CB LEU A 71 15.708 -19.125 -5.218 1.00 64.51 C ATOM 1117 CG LEU A 71 14.800 -20.355 -5.253 1.00 50.14 C ATOM 1118 CD1 LEU A 71 15.597 -21.616 -4.957 1.00 14.02 C ATOM 1119 CD2 LEU A 71 13.655 -20.200 -4.264 1.00 34.34 C ATOM 0 H LEU A 71 14.584 -19.057 -7.610 1.00 43.30 H new ATOM 0 HA LEU A 71 16.999 -17.865 -6.387 1.00 23.41 H new ATOM 0 HB2 LEU A 71 16.496 -19.301 -4.485 1.00 64.51 H new ATOM 0 HB3 LEU A 71 15.124 -18.277 -4.861 1.00 64.51 H new ATOM 0 HG LEU A 71 14.379 -20.444 -6.254 1.00 50.14 H new ATOM 0 HD11 LEU A 71 14.934 -22.481 -4.986 1.00 14.02 H new ATOM 0 HD12 LEU A 71 16.381 -21.735 -5.705 1.00 14.02 H new ATOM 0 HD13 LEU A 71 16.048 -21.538 -3.968 1.00 14.02 H new ATOM 0 HD21 LEU A 71 13.019 -21.084 -4.302 1.00 34.34 H new ATOM 0 HD22 LEU A 71 14.057 -20.085 -3.257 1.00 34.34 H new ATOM 0 HD23 LEU A 71 13.068 -19.319 -4.523 1.00 34.34 H new ATOM 1131 N ARG A 72 18.541 -19.745 -6.888 1.00 52.41 N ATOM 1132 CA ARG A 72 19.479 -20.770 -7.330 1.00 54.41 C ATOM 1133 C ARG A 72 20.333 -21.263 -6.166 1.00 31.20 C ATOM 1134 O ARG A 72 20.753 -20.479 -5.314 1.00 63.11 O ATOM 1135 CB ARG A 72 20.378 -20.224 -8.441 1.00 13.32 C ATOM 1136 CG ARG A 72 19.785 -20.373 -9.833 1.00 2.14 C ATOM 1137 CD ARG A 72 18.855 -19.218 -10.169 1.00 35.15 C ATOM 1138 NE ARG A 72 18.294 -19.340 -11.511 1.00 74.14 N ATOM 1139 CZ ARG A 72 19.003 -19.175 -12.622 1.00 63.11 C ATOM 1140 NH1 ARG A 72 20.295 -18.883 -12.550 1.00 74.34 N ATOM 1141 NH2 ARG A 72 18.421 -19.303 -13.808 1.00 4.42 N ATOM 0 H ARG A 72 18.978 -18.934 -6.451 1.00 52.41 H new ATOM 0 HA ARG A 72 18.904 -21.611 -7.718 1.00 54.41 H new ATOM 0 HB2 ARG A 72 20.576 -19.169 -8.251 1.00 13.32 H new ATOM 0 HB3 ARG A 72 21.338 -20.740 -8.407 1.00 13.32 H new ATOM 0 HG2 ARG A 72 20.588 -20.421 -10.569 1.00 2.14 H new ATOM 0 HG3 ARG A 72 19.237 -21.313 -9.898 1.00 2.14 H new ATOM 0 HD2 ARG A 72 18.046 -19.180 -9.440 1.00 35.15 H new ATOM 0 HD3 ARG A 72 19.401 -18.278 -10.088 1.00 35.15 H new ATOM 0 HE ARG A 72 17.303 -19.564 -11.601 1.00 74.14 H new ATOM 0 HH11 ARG A 72 20.746 -18.785 -11.640 1.00 74.34 H new ATOM 0 HH12 ARG A 72 20.838 -18.757 -13.404 1.00 74.34 H new ATOM 0 HH21 ARG A 72 17.428 -19.528 -13.867 1.00 4.42 H new ATOM 0 HH22 ARG A 72 18.967 -19.176 -14.660 1.00 4.42 H new ATOM 1155 N LEU A 73 20.585 -22.567 -6.136 1.00 22.15 N ATOM 1156 CA LEU A 73 21.389 -23.166 -5.076 1.00 21.22 C ATOM 1157 C LEU A 73 22.700 -23.714 -5.630 1.00 70.44 C ATOM 1158 O LEU A 73 22.947 -23.660 -6.835 1.00 75.14 O ATOM 1159 CB LEU A 73 20.607 -24.285 -4.386 1.00 14.24 C ATOM 1160 CG LEU A 73 20.266 -25.499 -5.251 1.00 42.52 C ATOM 1161 CD1 LEU A 73 20.142 -26.748 -4.393 1.00 71.03 C ATOM 1162 CD2 LEU A 73 18.982 -25.254 -6.030 1.00 61.54 C ATOM 0 H LEU A 73 20.245 -23.229 -6.833 1.00 22.15 H new ATOM 0 HA LEU A 73 21.620 -22.389 -4.347 1.00 21.22 H new ATOM 0 HB2 LEU A 73 21.184 -24.627 -3.527 1.00 14.24 H new ATOM 0 HB3 LEU A 73 19.677 -23.867 -4.000 1.00 14.24 H new ATOM 0 HG LEU A 73 21.076 -25.653 -5.964 1.00 42.52 H new ATOM 0 HD11 LEU A 73 19.899 -27.602 -5.026 1.00 71.03 H new ATOM 0 HD12 LEU A 73 21.086 -26.933 -3.881 1.00 71.03 H new ATOM 0 HD13 LEU A 73 19.352 -26.606 -3.656 1.00 71.03 H new ATOM 0 HD21 LEU A 73 18.754 -26.128 -6.640 1.00 61.54 H new ATOM 0 HD22 LEU A 73 18.163 -25.074 -5.334 1.00 61.54 H new ATOM 0 HD23 LEU A 73 19.108 -24.384 -6.675 1.00 61.54 H new ATOM 1174 N ARG A 74 23.536 -24.244 -4.744 1.00 3.14 N ATOM 1175 CA ARG A 74 24.822 -24.803 -5.145 1.00 35.23 C ATOM 1176 C ARG A 74 24.668 -26.256 -5.586 1.00 43.33 C ATOM 1177 O ARG A 74 25.042 -26.619 -6.701 1.00 22.24 O ATOM 1178 CB ARG A 74 25.823 -24.712 -3.992 1.00 63.41 C ATOM 1179 CG ARG A 74 27.268 -24.907 -4.424 1.00 14.23 C ATOM 1180 CD ARG A 74 27.612 -26.381 -4.568 1.00 4.15 C ATOM 1181 NE ARG A 74 29.050 -26.619 -4.471 1.00 1.33 N ATOM 1182 CZ ARG A 74 29.585 -27.818 -4.271 1.00 72.33 C ATOM 1183 NH1 ARG A 74 28.805 -28.883 -4.149 1.00 33.43 N ATOM 1184 NH2 ARG A 74 30.902 -27.954 -4.195 1.00 25.22 N ATOM 0 H ARG A 74 23.346 -24.298 -3.743 1.00 3.14 H new ATOM 0 HA ARG A 74 25.196 -24.223 -5.988 1.00 35.23 H new ATOM 0 HB2 ARG A 74 25.724 -23.738 -3.512 1.00 63.41 H new ATOM 0 HB3 ARG A 74 25.572 -25.463 -3.243 1.00 63.41 H new ATOM 0 HG2 ARG A 74 27.437 -24.398 -5.373 1.00 14.23 H new ATOM 0 HG3 ARG A 74 27.933 -24.447 -3.693 1.00 14.23 H new ATOM 0 HD2 ARG A 74 27.097 -26.951 -3.794 1.00 4.15 H new ATOM 0 HD3 ARG A 74 27.248 -26.746 -5.528 1.00 4.15 H new ATOM 0 HE ARG A 74 29.678 -25.820 -4.562 1.00 1.33 H new ATOM 0 HH11 ARG A 74 27.792 -28.783 -4.209 1.00 33.43 H new ATOM 0 HH12 ARG A 74 29.218 -29.803 -3.995 1.00 33.43 H new ATOM 0 HH21 ARG A 74 31.505 -27.137 -4.290 1.00 25.22 H new ATOM 0 HH22 ARG A 74 31.312 -28.875 -4.041 1.00 25.22 H new ATOM 1198 N GLY A 75 24.116 -27.082 -4.703 1.00 71.44 N ATOM 1199 CA GLY A 75 23.924 -28.486 -5.020 1.00 53.52 C ATOM 1200 C GLY A 75 24.171 -29.388 -3.828 1.00 22.30 C ATOM 1201 O GLY A 75 23.697 -30.523 -3.791 1.00 1.14 O ATOM 0 H GLY A 75 23.798 -26.805 -3.774 1.00 71.44 H new ATOM 0 HA2 GLY A 75 22.907 -28.638 -5.382 1.00 53.52 H new ATOM 0 HA3 GLY A 75 24.596 -28.768 -5.830 1.00 53.52 H new ATOM 1205 N GLY A 76 24.918 -28.884 -2.850 1.00 41.13 N ATOM 1206 CA GLY A 76 25.216 -29.667 -1.665 1.00 43.24 C ATOM 1207 C GLY A 76 26.268 -29.015 -0.789 1.00 55.12 C ATOM 1208 O GLY A 76 26.264 -29.188 0.429 1.00 31.44 O ATOM 0 H GLY A 76 25.322 -27.947 -2.857 1.00 41.13 H new ATOM 0 HA2 GLY A 76 24.303 -29.808 -1.087 1.00 43.24 H new ATOM 0 HA3 GLY A 76 25.560 -30.657 -1.964 1.00 43.24 H new TER 1212 GLY A 76