USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 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 22 THR OG1 : rot -41:sc= 0.12 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.595 K(o=0.71,f=-4.1!) USER MOD Set 2.1: A 2 GLN : amide:sc= -0.0159 X(o=-0.016,f=0) USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 7 THR OG1 : rot 126:sc= 1.16 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.767 USER MOD Single : A 1 MET CE :methyl 148:sc=-0.000111 (180deg=-0.019) USER MOD Single : A 1 MET N :NH3+ 170:sc= 2.46 (180deg=1.96) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 167:sc= 0.972 (180deg=0.431) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= 1.44 (180deg=1.28) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0136) USER MOD Single : A 31 GLN : amide:sc= -0.373 K(o=-0.37,f=-0.92) USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0319) USER MOD Single : A 40 GLN : amide:sc= -0.537 K(o=-0.54,f=0) USER MOD Single : A 41 GLN : amide:sc= -1.28 K(o=-1.3,f=-4.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0227 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.471 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 165:sc= -0.0262 (180deg=-0.214) USER MOD Single : A 65 SER OG : rot 89:sc= 1.3 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc=-0.00246 K(o=-0.0025,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.748 -7.485 -4.345 1.00 9.67 N ATOM 2 CA MET A 1 11.641 -7.844 -2.909 1.00 10.38 C ATOM 3 C MET A 1 10.199 -8.009 -2.470 1.00 9.62 C ATOM 4 O MET A 1 9.298 -7.366 -2.976 1.00 9.62 O ATOM 5 CB MET A 1 12.202 -6.710 -1.998 1.00 13.77 C ATOM 6 CG MET A 1 11.505 -5.339 -2.124 1.00 16.29 C ATOM 7 SD MET A 1 12.329 -4.018 -1.159 1.00 17.17 S ATOM 8 CE MET A 1 11.133 -2.715 -1.306 1.00 16.11 C ATOM 0 H1 MET A 1 12.729 -7.217 -4.564 1.00 9.67 H new ATOM 0 H2 MET A 1 11.474 -8.301 -4.928 1.00 9.67 H new ATOM 0 H3 MET A 1 11.116 -6.685 -4.551 1.00 9.67 H new ATOM 0 HA MET A 1 12.202 -8.773 -2.808 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.134 -7.037 -0.960 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.261 -6.580 -2.223 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.476 -5.049 -3.174 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.471 -5.432 -1.791 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.148 -2.104 -0.404 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.375 -2.095 -2.169 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.140 -3.145 -1.436 1.00 16.11 H new ATOM 20 N GLN A 2 9.975 -8.886 -1.511 1.00 9.27 N ATOM 21 CA GLN A 2 8.665 -9.268 -1.070 1.00 9.07 C ATOM 22 C GLN A 2 8.210 -8.289 -0.028 1.00 8.72 C ATOM 23 O GLN A 2 8.954 -7.795 0.800 1.00 8.22 O ATOM 24 CB GLN A 2 8.596 -10.641 -0.355 1.00 14.46 C ATOM 25 CG GLN A 2 7.227 -11.077 0.192 1.00 17.01 C ATOM 26 CD GLN A 2 7.158 -12.521 0.544 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.904 -12.987 1.415 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.257 -13.235 -0.120 1.00 19.49 N ATOM 0 H GLN A 2 10.726 -9.360 -1.009 1.00 9.27 H new ATOM 0 HA GLN A 2 8.061 -9.303 -1.976 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.940 -11.404 -1.053 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.303 -10.626 0.475 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.993 -10.485 1.077 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.461 -10.856 -0.551 1.00 17.01 H new ATOM 0 HE21 GLN A 2 5.673 -12.789 -0.827 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.149 -14.230 0.077 1.00 19.49 H new ATOM 37 N ILE A 3 6.952 -7.965 -0.010 1.00 5.87 N ATOM 38 CA ILE A 3 6.403 -6.995 0.881 1.00 5.07 C ATOM 39 C ILE A 3 5.073 -7.617 1.229 1.00 4.01 C ATOM 40 O ILE A 3 4.553 -8.477 0.519 1.00 4.61 O ATOM 41 CB ILE A 3 6.177 -5.511 0.350 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.320 -5.382 -0.921 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.546 -4.770 0.196 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.580 -4.050 -0.972 1.00 10.83 C ATOM 0 H ILE A 3 6.262 -8.382 -0.634 1.00 5.87 H new ATOM 0 HA ILE A 3 7.113 -6.817 1.689 1.00 5.07 H new ATOM 0 HB ILE A 3 5.578 -5.024 1.119 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.957 -5.478 -1.800 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.600 -6.200 -0.958 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.373 -3.757 -0.168 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.047 -4.727 1.163 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.173 -5.308 -0.515 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.986 -3.998 -1.885 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.923 -3.965 -0.106 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.301 -3.233 -0.961 1.00 10.83 H new ATOM 56 N PHE A 4 4.529 -7.195 2.371 1.00 4.55 N ATOM 57 CA PHE A 4 3.339 -7.805 2.999 1.00 4.68 C ATOM 58 C PHE A 4 2.424 -6.650 3.116 1.00 5.30 C ATOM 59 O PHE A 4 2.877 -5.603 3.408 1.00 5.58 O ATOM 60 CB PHE A 4 3.660 -8.516 4.356 1.00 4.83 C ATOM 61 CG PHE A 4 4.475 -9.790 4.235 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.852 -9.923 4.004 1.00 8.34 C ATOM 63 CD2 PHE A 4 3.735 -10.981 4.506 1.00 6.69 C ATOM 64 CE1 PHE A 4 6.478 -11.190 3.933 1.00 10.61 C ATOM 65 CE2 PHE A 4 4.306 -12.227 4.530 1.00 9.10 C ATOM 66 CZ PHE A 4 5.695 -12.336 4.271 1.00 8.90 C ATOM 0 H PHE A 4 4.903 -6.407 2.900 1.00 4.55 H new ATOM 0 HA PHE A 4 2.906 -8.623 2.423 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.198 -7.817 4.996 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.721 -8.749 4.858 1.00 4.83 H new ATOM 0 HD1 PHE A 4 6.451 -9.034 3.877 1.00 8.34 H new ATOM 0 HD2 PHE A 4 2.676 -10.896 4.701 1.00 6.69 H new ATOM 0 HE1 PHE A 4 7.511 -11.287 3.634 1.00 10.61 H new ATOM 0 HE2 PHE A 4 3.712 -13.104 4.741 1.00 9.10 H new ATOM 0 HZ PHE A 4 6.171 -13.304 4.330 1.00 8.90 H new ATOM 76 N VAL A 5 1.083 -6.779 2.865 1.00 4.44 N ATOM 77 CA VAL A 5 0.054 -5.760 2.924 1.00 3.87 C ATOM 78 C VAL A 5 -1.037 -6.341 3.815 1.00 4.93 C ATOM 79 O VAL A 5 -1.449 -7.482 3.592 1.00 6.84 O ATOM 80 CB VAL A 5 -0.512 -5.426 1.561 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.315 -4.094 1.689 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.640 -5.222 0.598 1.00 9.13 C ATOM 0 H VAL A 5 0.692 -7.682 2.597 1.00 4.44 H new ATOM 0 HA VAL A 5 0.465 -4.827 3.309 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.158 -6.226 1.199 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.735 -3.828 0.719 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.121 -4.223 2.411 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.650 -3.299 2.026 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.249 -4.980 -0.390 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.268 -4.404 0.950 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.232 -6.135 0.541 1.00 9.13 H new ATOM 92 N LYS A 6 -1.366 -5.590 4.923 1.00 6.04 N ATOM 93 CA LYS A 6 -2.150 -6.197 6.006 1.00 6.12 C ATOM 94 C LYS A 6 -3.367 -5.416 6.417 1.00 6.57 C ATOM 95 O LYS A 6 -3.227 -4.250 6.761 1.00 5.76 O ATOM 96 CB LYS A 6 -1.299 -6.466 7.218 1.00 7.45 C ATOM 97 CG LYS A 6 -1.878 -7.318 8.387 1.00 11.12 C ATOM 98 CD LYS A 6 -0.839 -7.729 9.411 1.00 14.54 C ATOM 99 CE LYS A 6 -1.465 -8.536 10.609 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.383 -8.887 11.596 1.00 20.55 N ATOM 0 H LYS A 6 -1.106 -4.614 5.066 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.510 -7.134 5.582 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.388 -6.957 6.875 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.005 -5.501 7.631 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.663 -6.749 8.886 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.345 -8.213 7.976 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.075 -8.337 8.926 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.341 -6.839 9.796 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.239 -7.943 11.097 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.944 -9.443 10.240 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.795 -9.420 12.388 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.340 -9.468 11.126 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.054 -8.015 11.956 1.00 20.55 H new ATOM 114 N THR A 7 -4.550 -5.981 6.477 1.00 7.41 N ATOM 115 CA THR A 7 -5.768 -5.226 6.825 1.00 7.48 C ATOM 116 C THR A 7 -6.110 -5.173 8.318 1.00 8.75 C ATOM 117 O THR A 7 -5.479 -5.833 9.158 1.00 8.58 O ATOM 118 CB THR A 7 -6.992 -5.688 6.060 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.282 -7.049 6.265 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.907 -5.295 4.510 1.00 9.17 C ATOM 0 H THR A 7 -4.713 -6.970 6.290 1.00 7.41 H new ATOM 0 HA THR A 7 -5.503 -4.213 6.523 1.00 7.48 H new ATOM 0 HB THR A 7 -7.843 -5.146 6.473 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.211 -7.145 6.561 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.803 -5.644 3.997 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.831 -4.212 4.413 1.00 9.17 H new ATOM 0 HG23 THR A 7 -6.029 -5.761 4.064 1.00 9.17 H new ATOM 128 N LEU A 8 -7.087 -4.310 8.683 1.00 9.84 N ATOM 129 CA LEU A 8 -7.565 -4.222 10.070 1.00 14.15 C ATOM 130 C LEU A 8 -8.507 -5.384 10.455 1.00 17.37 C ATOM 131 O LEU A 8 -8.826 -5.619 11.582 1.00 17.01 O ATOM 132 CB LEU A 8 -8.399 -2.883 10.091 1.00 16.63 C ATOM 133 CG LEU A 8 -7.585 -1.596 9.769 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.390 -0.346 10.081 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.189 -1.365 10.483 1.00 18.59 C ATOM 0 H LEU A 8 -7.552 -3.672 8.037 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.730 -4.260 10.769 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.214 -2.969 9.372 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.853 -2.771 11.076 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.375 -1.769 8.714 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.796 0.537 9.846 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.301 -0.341 9.482 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.652 -0.336 11.139 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.759 -0.422 10.145 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.334 -1.331 11.563 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.513 -2.183 10.233 1.00 18.59 H new ATOM 147 N THR A 9 -8.929 -6.166 9.415 1.00 18.33 N ATOM 148 CA THR A 9 -9.588 -7.411 9.500 1.00 19.24 C ATOM 149 C THR A 9 -8.597 -8.574 9.539 1.00 19.48 C ATOM 150 O THR A 9 -9.066 -9.738 9.524 1.00 23.14 O ATOM 151 CB THR A 9 -10.581 -7.676 8.410 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.943 -7.621 7.132 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.578 -6.505 8.410 1.00 19.70 C ATOM 0 H THR A 9 -8.784 -5.879 8.447 1.00 18.33 H new ATOM 0 HA THR A 9 -10.143 -7.343 10.435 1.00 19.24 H new ATOM 0 HB THR A 9 -11.041 -8.650 8.576 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.603 -7.797 6.429 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.321 -6.660 7.628 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.076 -6.451 9.378 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.044 -5.573 8.224 1.00 19.70 H new ATOM 161 N GLY A 10 -7.280 -8.327 9.580 1.00 19.43 N ATOM 162 CA GLY A 10 -6.215 -9.295 9.742 1.00 18.74 C ATOM 163 C GLY A 10 -5.822 -10.038 8.512 1.00 17.62 C ATOM 164 O GLY A 10 -5.059 -11.040 8.552 1.00 19.74 O ATOM 0 H GLY A 10 -6.919 -7.377 9.494 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.336 -8.779 10.128 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.519 -10.018 10.499 1.00 18.74 H new ATOM 168 N LYS A 11 -6.374 -9.636 7.372 1.00 13.56 N ATOM 169 CA LYS A 11 -6.100 -10.316 6.087 1.00 11.91 C ATOM 170 C LYS A 11 -4.660 -9.873 5.641 1.00 10.18 C ATOM 171 O LYS A 11 -4.454 -8.693 5.513 1.00 9.10 O ATOM 172 CB LYS A 11 -7.198 -10.057 4.930 1.00 13.43 C ATOM 173 CG LYS A 11 -6.901 -10.918 3.627 1.00 16.69 C ATOM 174 CD LYS A 11 -7.975 -10.593 2.638 1.00 17.92 C ATOM 175 CE LYS A 11 -7.791 -11.358 1.315 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.819 -11.053 0.371 1.00 21.93 N ATOM 0 H LYS A 11 -7.014 -8.845 7.300 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.162 -11.393 6.244 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.190 -10.303 5.309 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.209 -8.998 4.671 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.918 -10.679 3.222 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.900 -11.983 3.860 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.948 -10.837 3.066 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.974 -9.521 2.440 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.820 -11.111 0.886 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.788 -12.430 1.514 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.545 -11.408 -0.567 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.707 -11.506 0.667 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.954 -10.023 0.326 1.00 21.93 H new ATOM 190 N THR A 12 -3.741 -10.839 5.442 1.00 9.63 N ATOM 191 CA THR A 12 -2.421 -10.499 4.968 1.00 9.85 C ATOM 192 C THR A 12 -2.283 -11.205 3.583 1.00 11.66 C ATOM 193 O THR A 12 -2.570 -12.393 3.375 1.00 12.33 O ATOM 194 CB THR A 12 -1.367 -11.151 5.833 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.361 -10.734 7.153 1.00 10.91 O ATOM 196 CG2 THR A 12 0.073 -10.820 5.287 1.00 9.63 C ATOM 0 H THR A 12 -3.900 -11.834 5.603 1.00 9.63 H new ATOM 0 HA THR A 12 -2.296 -9.416 4.955 1.00 9.85 H new ATOM 0 HB THR A 12 -1.616 -12.212 5.794 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.653 -11.204 7.641 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.821 -11.297 5.921 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.170 -11.193 4.267 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.226 -9.741 5.294 1.00 9.63 H new ATOM 204 N ILE A 13 -1.810 -10.463 2.603 1.00 10.42 N ATOM 205 CA ILE A 13 -1.461 -10.868 1.247 1.00 11.84 C ATOM 206 C ILE A 13 -0.123 -10.272 0.875 1.00 10.55 C ATOM 207 O ILE A 13 0.292 -9.296 1.490 1.00 11.92 O ATOM 208 CB ILE A 13 -2.538 -10.497 0.230 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.895 -9.020 0.193 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.819 -11.411 0.418 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.663 -8.538 -1.028 1.00 16.46 C ATOM 0 H ILE A 13 -1.643 -9.467 2.744 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.390 -11.956 1.225 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.103 -10.693 -0.750 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.485 -8.789 1.080 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.972 -8.444 0.265 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.576 -11.132 -0.315 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.544 -12.456 0.276 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.219 -11.274 1.423 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.858 -7.469 -0.937 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.073 -8.724 -1.926 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.609 -9.075 -1.098 1.00 16.46 H new ATOM 223 N THR A 14 0.617 -10.791 -0.160 1.00 9.39 N ATOM 224 CA THR A 14 2.009 -10.476 -0.469 1.00 9.63 C ATOM 225 C THR A 14 2.081 -9.858 -1.813 1.00 11.20 C ATOM 226 O THR A 14 1.306 -10.169 -2.657 1.00 11.63 O ATOM 227 CB THR A 14 3.137 -11.528 -0.266 1.00 10.38 C ATOM 228 OG1 THR A 14 2.995 -12.595 -1.221 1.00 16.30 O ATOM 229 CG2 THR A 14 3.153 -12.086 1.161 1.00 11.66 C ATOM 0 H THR A 14 0.220 -11.466 -0.814 1.00 9.39 H new ATOM 0 HA THR A 14 2.267 -9.795 0.342 1.00 9.63 H new ATOM 0 HB THR A 14 4.090 -11.025 -0.427 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.710 -13.251 -1.087 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.956 -12.817 1.257 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.316 -11.273 1.868 1.00 11.66 H new ATOM 0 HG23 THR A 14 2.198 -12.566 1.375 1.00 11.66 H new ATOM 237 N LEU A 15 3.032 -8.918 -2.016 1.00 8.29 N ATOM 238 CA LEU A 15 3.336 -8.526 -3.367 1.00 9.03 C ATOM 239 C LEU A 15 4.852 -8.543 -3.544 1.00 8.59 C ATOM 240 O LEU A 15 5.603 -8.573 -2.586 1.00 7.79 O ATOM 241 CB LEU A 15 2.884 -7.069 -3.728 1.00 11.08 C ATOM 242 CG LEU A 15 1.355 -6.796 -3.453 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.022 -5.343 -3.583 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.446 -7.521 -4.448 1.00 15.27 C ATOM 0 H LEU A 15 3.567 -8.449 -1.285 1.00 8.29 H new ATOM 0 HA LEU A 15 2.801 -9.226 -4.009 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.480 -6.360 -3.154 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.094 -6.883 -4.781 1.00 11.08 H new ATOM 0 HG LEU A 15 1.185 -7.157 -2.439 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.040 -5.194 -3.387 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.608 -4.770 -2.865 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.255 -5.005 -4.593 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.596 -7.301 -4.216 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.672 -7.184 -5.460 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.614 -8.596 -4.378 1.00 15.27 H new ATOM 256 N GLU A 16 5.319 -8.605 -4.788 1.00 11.04 N ATOM 257 CA GLU A 16 6.701 -8.597 -5.106 1.00 11.50 C ATOM 258 C GLU A 16 7.009 -7.273 -5.803 1.00 10.13 C ATOM 259 O GLU A 16 6.589 -6.982 -6.956 1.00 9.83 O ATOM 260 CB GLU A 16 7.007 -9.845 -6.030 1.00 17.22 C ATOM 261 CG GLU A 16 8.411 -9.935 -6.643 1.00 23.33 C ATOM 262 CD GLU A 16 9.567 -10.183 -5.633 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.510 -11.187 -4.868 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.524 -9.366 -5.638 1.00 28.86 O ATOM 0 H GLU A 16 4.713 -8.663 -5.607 1.00 11.04 H new ATOM 0 HA GLU A 16 7.331 -8.676 -4.220 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.835 -10.749 -5.445 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.282 -9.849 -6.844 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.416 -10.739 -7.379 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.614 -9.009 -7.181 1.00 23.33 H new ATOM 271 N VAL A 17 7.731 -6.397 -5.182 1.00 8.99 N ATOM 272 CA VAL A 17 7.889 -5.014 -5.630 1.00 8.85 C ATOM 273 C VAL A 17 9.418 -4.657 -5.752 1.00 8.04 C ATOM 274 O VAL A 17 10.302 -5.421 -5.443 1.00 8.99 O ATOM 275 CB VAL A 17 7.302 -3.956 -4.605 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.817 -4.277 -4.350 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.978 -4.019 -3.268 1.00 10.54 C ATOM 0 H VAL A 17 8.247 -6.609 -4.328 1.00 8.99 H new ATOM 0 HA VAL A 17 7.355 -4.958 -6.579 1.00 8.85 H new ATOM 0 HB VAL A 17 7.455 -2.971 -5.046 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.404 -3.554 -3.646 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.267 -4.223 -5.289 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.728 -5.281 -3.934 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.539 -3.275 -2.603 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.845 -5.012 -2.839 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.042 -3.816 -3.388 1.00 10.54 H new ATOM 287 N GLU A 18 9.642 -3.508 -6.227 1.00 7.29 N ATOM 288 CA GLU A 18 10.893 -2.836 -6.327 1.00 7.08 C ATOM 289 C GLU A 18 10.808 -1.545 -5.573 1.00 6.45 C ATOM 290 O GLU A 18 9.790 -0.865 -5.613 1.00 5.28 O ATOM 291 CB GLU A 18 11.267 -2.419 -7.762 1.00 10.28 C ATOM 292 CG GLU A 18 11.542 -3.591 -8.698 1.00 12.65 C ATOM 293 CD GLU A 18 11.274 -3.223 -10.139 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.186 -2.627 -10.420 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.200 -3.412 -10.975 1.00 18.17 O ATOM 0 H GLU A 18 8.882 -2.940 -6.600 1.00 7.29 H new ATOM 0 HA GLU A 18 11.632 -3.541 -5.945 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.458 -1.818 -8.177 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.151 -1.782 -7.725 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.579 -3.909 -8.589 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.917 -4.438 -8.415 1.00 12.65 H new ATOM 302 N PRO A 19 11.842 -1.135 -4.839 1.00 7.24 N ATOM 303 CA PRO A 19 11.899 0.172 -4.180 1.00 7.07 C ATOM 304 C PRO A 19 11.405 1.413 -4.946 1.00 6.65 C ATOM 305 O PRO A 19 10.898 2.378 -4.395 1.00 6.37 O ATOM 306 CB PRO A 19 13.354 0.327 -3.664 1.00 7.61 C ATOM 307 CG PRO A 19 13.951 -1.136 -3.769 1.00 8.16 C ATOM 308 CD PRO A 19 13.101 -1.849 -4.772 1.00 7.49 C ATOM 0 HA PRO A 19 11.152 0.154 -3.386 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.920 1.034 -4.270 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.377 0.696 -2.639 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.994 -1.112 -4.086 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.923 -1.640 -2.803 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.587 -1.867 -5.747 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.942 -2.886 -4.476 1.00 7.49 H new ATOM 316 N SER A 20 11.627 1.428 -6.272 1.00 6.80 N ATOM 317 CA SER A 20 11.241 2.547 -7.133 1.00 6.28 C ATOM 318 C SER A 20 9.866 2.495 -7.725 1.00 8.45 C ATOM 319 O SER A 20 9.387 3.311 -8.501 1.00 7.26 O ATOM 320 CB SER A 20 12.203 2.514 -8.335 1.00 8.57 C ATOM 321 OG SER A 20 13.537 2.638 -7.863 1.00 11.13 O ATOM 0 H SER A 20 12.079 0.662 -6.772 1.00 6.80 H new ATOM 0 HA SER A 20 11.273 3.433 -6.499 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.084 1.582 -8.887 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.971 3.325 -9.025 1.00 8.57 H new ATOM 0 HG SER A 20 14.156 2.616 -8.622 1.00 11.13 H new ATOM 327 N ASP A 21 9.091 1.446 -7.268 1.00 7.50 N ATOM 328 CA ASP A 21 7.693 1.583 -7.377 1.00 7.70 C ATOM 329 C ASP A 21 7.036 2.651 -6.441 1.00 7.08 C ATOM 330 O ASP A 21 7.358 2.830 -5.262 1.00 8.11 O ATOM 331 CB ASP A 21 6.931 0.247 -7.073 1.00 11.00 C ATOM 332 CG ASP A 21 7.223 -0.863 -8.008 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.203 -0.585 -9.251 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.543 -1.978 -7.595 1.00 14.36 O ATOM 0 H ASP A 21 9.433 0.577 -6.857 1.00 7.50 H new ATOM 0 HA ASP A 21 7.590 1.901 -8.414 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.180 -0.074 -6.062 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.859 0.445 -7.090 1.00 11.00 H new ATOM 339 N THR A 22 6.043 3.334 -6.981 1.00 5.37 N ATOM 340 CA THR A 22 5.173 4.134 -6.036 1.00 6.01 C ATOM 341 C THR A 22 4.109 3.434 -5.253 1.00 8.01 C ATOM 342 O THR A 22 3.649 2.326 -5.532 1.00 8.11 O ATOM 343 CB THR A 22 4.692 5.451 -6.695 1.00 8.92 C ATOM 344 OG1 THR A 22 3.653 5.122 -7.687 1.00 10.22 O ATOM 345 CG2 THR A 22 5.861 6.185 -7.424 1.00 9.65 C ATOM 0 H THR A 22 5.804 3.376 -7.972 1.00 5.37 H new ATOM 0 HA THR A 22 5.864 4.361 -5.224 1.00 6.01 H new ATOM 0 HB THR A 22 4.306 6.108 -5.916 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.914 4.315 -8.178 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.488 7.105 -7.875 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.644 6.425 -6.705 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.268 5.539 -8.202 1.00 9.65 H new ATOM 353 N ILE A 23 3.585 4.217 -4.243 1.00 8.32 N ATOM 354 CA ILE A 23 2.404 3.943 -3.416 1.00 9.92 C ATOM 355 C ILE A 23 1.199 3.730 -4.266 1.00 10.01 C ATOM 356 O ILE A 23 0.418 2.822 -4.088 1.00 8.71 O ATOM 357 CB ILE A 23 2.226 5.099 -2.410 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.323 4.977 -1.346 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.790 5.188 -1.761 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.568 3.610 -0.729 1.00 12.30 C ATOM 0 H ILE A 23 4.021 5.104 -3.990 1.00 8.32 H new ATOM 0 HA ILE A 23 2.543 3.019 -2.855 1.00 9.92 H new ATOM 0 HB ILE A 23 2.322 6.036 -2.959 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.259 5.316 -1.791 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.084 5.670 -0.539 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.755 6.028 -1.068 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.045 5.332 -2.544 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.576 4.265 -1.223 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.371 3.681 0.005 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.658 3.264 -0.239 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.851 2.904 -1.510 1.00 12.30 H new ATOM 372 N GLU A 24 1.052 4.559 -5.316 1.00 9.54 N ATOM 373 CA GLU A 24 0.086 4.388 -6.342 1.00 11.81 C ATOM 374 C GLU A 24 0.192 3.058 -7.083 1.00 11.14 C ATOM 375 O GLU A 24 -0.790 2.413 -7.441 1.00 10.62 O ATOM 376 CB GLU A 24 0.098 5.579 -7.300 1.00 19.24 C ATOM 377 CG GLU A 24 -1.064 5.479 -8.312 1.00 27.76 C ATOM 378 CD GLU A 24 -1.148 6.607 -9.267 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.452 7.742 -8.798 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.879 6.437 -10.505 1.00 34.80 O ATOM 0 H GLU A 24 1.636 5.384 -5.450 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.883 4.352 -5.844 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.015 6.507 -6.735 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.048 5.614 -7.833 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.960 4.551 -8.874 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.003 5.415 -7.762 1.00 27.76 H new ATOM 387 N ASN A 25 1.421 2.610 -7.372 1.00 9.43 N ATOM 388 CA ASN A 25 1.518 1.262 -7.934 1.00 10.96 C ATOM 389 C ASN A 25 1.097 0.141 -7.031 1.00 9.68 C ATOM 390 O ASN A 25 0.410 -0.771 -7.459 1.00 9.33 O ATOM 391 CB ASN A 25 2.931 0.859 -8.435 1.00 16.78 C ATOM 392 CG ASN A 25 3.466 1.874 -9.413 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.542 2.491 -9.255 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.685 2.138 -10.513 1.00 24.70 N ATOM 0 H ASN A 25 2.297 3.115 -7.239 1.00 9.43 H new ATOM 0 HA ASN A 25 0.816 1.369 -8.761 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.610 0.772 -7.587 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.887 -0.121 -8.910 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.984 2.834 -11.196 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.806 1.637 -10.647 1.00 24.70 H new ATOM 401 N VAL A 26 1.384 0.204 -5.708 1.00 6.52 N ATOM 402 CA VAL A 26 0.999 -0.808 -4.748 1.00 5.53 C ATOM 403 C VAL A 26 -0.516 -1.001 -4.781 1.00 4.42 C ATOM 404 O VAL A 26 -1.081 -2.104 -4.876 1.00 3.40 O ATOM 405 CB VAL A 26 1.499 -0.516 -3.317 1.00 3.86 C ATOM 406 CG1 VAL A 26 0.866 -1.493 -2.318 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.036 -0.465 -3.263 1.00 8.12 C ATOM 0 H VAL A 26 1.898 0.980 -5.292 1.00 6.52 H new ATOM 0 HA VAL A 26 1.488 -1.736 -5.043 1.00 5.53 H new ATOM 0 HB VAL A 26 1.170 0.478 -3.015 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.229 -1.273 -1.314 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.219 -1.387 -2.343 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.137 -2.514 -2.586 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.358 -0.258 -2.242 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.443 -1.424 -3.584 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.397 0.323 -3.924 1.00 8.12 H new ATOM 417 N LYS A 27 -1.279 0.106 -4.816 1.00 2.64 N ATOM 418 CA LYS A 27 -2.713 -0.002 -4.946 1.00 4.14 C ATOM 419 C LYS A 27 -3.186 -0.595 -6.255 1.00 5.58 C ATOM 420 O LYS A 27 -4.146 -1.381 -6.230 1.00 4.11 O ATOM 421 CB LYS A 27 -3.389 1.369 -4.820 1.00 3.97 C ATOM 422 CG LYS A 27 -2.915 2.095 -3.511 1.00 7.45 C ATOM 423 CD LYS A 27 -3.372 3.560 -3.339 1.00 9.02 C ATOM 424 CE LYS A 27 -2.994 4.130 -1.966 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.571 5.413 -1.764 1.00 15.47 N ATOM 0 H LYS A 27 -0.921 1.059 -4.756 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.993 -0.676 -4.136 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.150 1.981 -5.690 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.472 1.247 -4.804 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.270 1.523 -2.654 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.826 2.070 -3.481 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.923 4.173 -4.121 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.453 3.619 -3.470 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.329 3.450 -1.183 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.909 4.200 -1.885 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.062 5.907 -1.004 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.503 5.966 -2.642 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.571 5.306 -1.498 1.00 15.47 H new ATOM 439 N ALA A 28 -2.550 -0.302 -7.420 1.00 6.61 N ATOM 440 CA ALA A 28 -2.780 -1.035 -8.668 1.00 7.74 C ATOM 441 C ALA A 28 -2.500 -2.564 -8.604 1.00 9.17 C ATOM 442 O ALA A 28 -3.212 -3.360 -9.186 1.00 11.45 O ATOM 443 CB ALA A 28 -1.956 -0.396 -9.840 1.00 7.68 C ATOM 0 H ALA A 28 -1.867 0.450 -7.508 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.851 -0.941 -8.849 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.139 -0.953 -10.759 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.262 0.641 -9.977 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.893 -0.432 -9.599 1.00 7.68 H new ATOM 449 N LYS A 29 -1.444 -3.084 -7.922 1.00 8.96 N ATOM 450 CA LYS A 29 -1.241 -4.462 -7.569 1.00 7.90 C ATOM 451 C LYS A 29 -2.173 -5.118 -6.588 1.00 6.92 C ATOM 452 O LYS A 29 -2.631 -6.256 -6.726 1.00 6.87 O ATOM 453 CB LYS A 29 0.157 -4.562 -6.954 1.00 10.28 C ATOM 454 CG LYS A 29 1.228 -3.877 -7.837 1.00 14.94 C ATOM 455 CD LYS A 29 2.673 -4.140 -7.426 1.00 19.69 C ATOM 456 CE LYS A 29 3.719 -3.265 -8.134 1.00 22.63 C ATOM 457 NZ LYS A 29 3.689 -3.543 -9.569 1.00 24.98 N ATOM 0 H LYS A 29 -0.680 -2.491 -7.597 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.417 -4.992 -8.505 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.153 -4.101 -5.966 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.418 -5.611 -6.815 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.094 -4.209 -8.867 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.053 -2.801 -7.824 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.762 -3.988 -6.350 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.905 -5.187 -7.621 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.512 -2.211 -7.952 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.712 -3.469 -7.733 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.430 -2.990 -10.045 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.856 -4.557 -9.730 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.759 -3.280 -9.954 1.00 24.98 H new ATOM 471 N ILE A 30 -2.632 -4.387 -5.584 1.00 4.57 N ATOM 472 CA ILE A 30 -3.703 -4.736 -4.718 1.00 5.58 C ATOM 473 C ILE A 30 -5.030 -4.812 -5.444 1.00 7.26 C ATOM 474 O ILE A 30 -5.825 -5.722 -5.220 1.00 9.46 O ATOM 475 CB ILE A 30 -3.770 -3.816 -3.501 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.580 -3.936 -2.531 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.055 -3.907 -2.625 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.546 -5.201 -1.697 1.00 2.00 C ATOM 0 H ILE A 30 -2.228 -3.479 -5.353 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.494 -5.741 -4.350 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.759 -2.855 -4.015 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.656 -3.876 -3.107 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.593 -3.078 -1.859 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.980 -3.205 -1.794 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.927 -3.660 -3.231 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.159 -4.920 -2.236 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.670 -5.186 -1.049 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.448 -5.259 -1.087 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.496 -6.069 -2.354 1.00 2.00 H new ATOM 490 N GLN A 31 -5.285 -3.861 -6.328 1.00 7.06 N ATOM 491 CA GLN A 31 -6.465 -3.890 -7.172 1.00 8.67 C ATOM 492 C GLN A 31 -6.473 -5.096 -8.124 1.00 10.90 C ATOM 493 O GLN A 31 -7.533 -5.723 -8.237 1.00 9.63 O ATOM 494 CB GLN A 31 -6.528 -2.639 -8.062 1.00 9.12 C ATOM 495 CG GLN A 31 -7.766 -2.629 -8.999 1.00 10.76 C ATOM 496 CD GLN A 31 -7.895 -1.204 -9.708 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.837 -0.691 -10.109 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.083 -0.726 -9.903 1.00 14.76 N ATOM 0 H GLN A 31 -4.682 -3.052 -6.479 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.313 -3.944 -6.490 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.548 -1.750 -7.431 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.622 -2.581 -8.665 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.671 -3.412 -9.751 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.669 -2.844 -8.427 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.897 -1.218 -9.535 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.204 0.142 -10.425 1.00 14.76 H new ATOM 507 N ASP A 32 -5.358 -5.480 -8.681 1.00 10.93 N ATOM 508 CA ASP A 32 -5.205 -6.635 -9.561 1.00 14.01 C ATOM 509 C ASP A 32 -5.570 -7.868 -8.839 1.00 14.04 C ATOM 510 O ASP A 32 -6.232 -8.742 -9.422 1.00 13.39 O ATOM 511 CB ASP A 32 -3.805 -6.596 -10.155 1.00 18.01 C ATOM 512 CG ASP A 32 -3.511 -7.697 -11.219 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.108 -7.646 -12.328 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.717 -8.613 -10.922 1.00 25.17 O ATOM 0 H ASP A 32 -4.481 -4.980 -8.535 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.891 -6.612 -10.408 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.647 -5.619 -10.612 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.080 -6.691 -9.346 1.00 18.01 H new ATOM 519 N LYS A 33 -5.127 -8.052 -7.540 1.00 14.22 N ATOM 520 CA LYS A 33 -5.533 -9.239 -6.790 1.00 14.00 C ATOM 521 C LYS A 33 -6.922 -9.139 -6.245 1.00 12.37 C ATOM 522 O LYS A 33 -7.679 -10.085 -6.323 1.00 12.17 O ATOM 523 CB LYS A 33 -4.552 -9.430 -5.682 1.00 18.62 C ATOM 524 CG LYS A 33 -3.203 -10.025 -6.182 1.00 24.00 C ATOM 525 CD LYS A 33 -2.088 -9.954 -5.100 1.00 27.61 C ATOM 526 CE LYS A 33 -0.881 -10.841 -5.407 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.205 -12.260 -5.208 1.00 30.06 N ATOM 0 H LYS A 33 -4.517 -7.408 -7.036 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.540 -10.094 -7.466 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.366 -8.472 -5.196 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.982 -10.092 -4.930 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.354 -11.063 -6.477 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.878 -9.485 -7.071 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.754 -8.921 -5.002 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.508 -10.246 -4.138 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.559 -10.679 -6.436 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.047 -10.561 -4.764 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.336 -12.827 -5.273 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.633 -12.390 -4.269 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.876 -12.569 -5.940 1.00 30.06 H new ATOM 541 N GLU A 34 -7.233 -8.027 -5.603 1.00 10.11 N ATOM 542 CA GLU A 34 -8.429 -8.001 -4.714 1.00 10.07 C ATOM 543 C GLU A 34 -9.668 -7.353 -5.374 1.00 9.32 C ATOM 544 O GLU A 34 -10.827 -7.600 -5.038 1.00 11.61 O ATOM 545 CB GLU A 34 -8.128 -7.157 -3.410 1.00 14.77 C ATOM 546 CG GLU A 34 -7.154 -7.997 -2.470 1.00 18.75 C ATOM 547 CD GLU A 34 -7.938 -9.014 -1.749 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.864 -8.779 -0.891 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.657 -10.208 -2.093 1.00 21.95 O ATOM 0 H GLU A 34 -6.712 -7.152 -5.661 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.643 -9.046 -4.491 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.669 -6.204 -3.674 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.056 -6.929 -2.885 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.376 -8.475 -3.066 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.653 -7.337 -1.762 1.00 18.75 H new ATOM 556 N GLY A 35 -9.442 -6.541 -6.433 1.00 7.22 N ATOM 557 CA GLY A 35 -10.525 -5.812 -7.106 1.00 6.29 C ATOM 558 C GLY A 35 -10.941 -4.584 -6.472 1.00 6.93 C ATOM 559 O GLY A 35 -11.701 -3.826 -7.043 1.00 7.41 O ATOM 0 H GLY A 35 -8.518 -6.379 -6.834 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.207 -5.585 -8.124 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.390 -6.471 -7.182 1.00 6.29 H new ATOM 563 N ILE A 36 -10.323 -4.259 -5.339 1.00 5.86 N ATOM 564 CA ILE A 36 -10.509 -2.957 -4.689 1.00 6.07 C ATOM 565 C ILE A 36 -10.087 -1.770 -5.638 1.00 6.36 C ATOM 566 O ILE A 36 -8.926 -1.748 -6.089 1.00 6.18 O ATOM 567 CB ILE A 36 -9.753 -2.799 -3.362 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.795 -4.081 -2.536 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.231 -1.584 -2.546 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.854 -4.038 -1.366 1.00 9.49 C ATOM 0 H ILE A 36 -9.684 -4.882 -4.846 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.576 -2.918 -4.472 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.712 -2.606 -3.622 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.811 -4.245 -2.176 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.541 -4.929 -3.172 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.662 -1.522 -1.618 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.080 -0.674 -3.126 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.290 -1.695 -2.315 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.921 -4.973 -0.810 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.834 -3.902 -1.724 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.123 -3.208 -0.713 1.00 9.49 H new ATOM 582 N PRO A 37 -10.968 -0.835 -5.774 1.00 8.65 N ATOM 583 CA PRO A 37 -10.555 0.506 -6.207 1.00 9.18 C ATOM 584 C PRO A 37 -9.501 1.205 -5.429 1.00 9.85 C ATOM 585 O PRO A 37 -9.722 1.274 -4.232 1.00 8.51 O ATOM 586 CB PRO A 37 -11.885 1.293 -6.104 1.00 11.42 C ATOM 587 CG PRO A 37 -12.935 0.232 -6.468 1.00 9.27 C ATOM 588 CD PRO A 37 -12.449 -0.927 -5.636 1.00 8.33 C ATOM 0 HA PRO A 37 -10.080 0.433 -7.185 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.043 1.692 -5.102 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.909 2.139 -6.791 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.946 0.540 -6.201 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.942 0.004 -7.534 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.765 -0.839 -4.596 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.831 -1.879 -6.006 1.00 8.33 H new ATOM 596 N PRO A 38 -8.453 1.755 -6.071 1.00 8.71 N ATOM 597 CA PRO A 38 -7.441 2.606 -5.407 1.00 9.08 C ATOM 598 C PRO A 38 -7.936 3.770 -4.568 1.00 9.28 C ATOM 599 O PRO A 38 -7.387 4.025 -3.524 1.00 6.50 O ATOM 600 CB PRO A 38 -6.565 3.018 -6.579 1.00 10.31 C ATOM 601 CG PRO A 38 -6.517 1.950 -7.568 1.00 10.81 C ATOM 602 CD PRO A 38 -7.989 1.391 -7.385 1.00 12.00 C ATOM 0 HA PRO A 38 -6.927 2.058 -4.617 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.957 3.928 -7.034 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.558 3.245 -6.228 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.326 2.316 -8.577 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.752 1.205 -7.349 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.649 1.804 -8.148 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.001 0.308 -7.505 1.00 12.00 H new ATOM 610 N ASP A 39 -8.956 4.512 -5.062 1.00 11.20 N ATOM 611 CA ASP A 39 -9.647 5.552 -4.301 1.00 14.96 C ATOM 612 C ASP A 39 -10.360 5.082 -3.032 1.00 13.99 C ATOM 613 O ASP A 39 -10.818 5.925 -2.246 1.00 13.75 O ATOM 614 CB ASP A 39 -10.621 6.337 -5.175 1.00 24.16 C ATOM 615 CG ASP A 39 -9.815 7.009 -6.288 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.847 7.778 -6.111 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.162 6.695 -7.462 1.00 35.55 O ATOM 0 H ASP A 39 -9.317 4.396 -6.009 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.837 6.198 -3.963 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.375 5.673 -5.597 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.149 7.084 -4.582 1.00 24.16 H new ATOM 622 N GLN A 40 -10.453 3.723 -2.771 1.00 11.60 N ATOM 623 CA GLN A 40 -10.864 3.097 -1.545 1.00 10.76 C ATOM 624 C GLN A 40 -9.716 2.548 -0.731 1.00 8.01 C ATOM 625 O GLN A 40 -9.999 1.937 0.305 1.00 8.96 O ATOM 626 CB GLN A 40 -11.739 1.877 -1.835 1.00 11.14 C ATOM 627 CG GLN A 40 -13.152 2.313 -2.399 1.00 14.85 C ATOM 628 CD GLN A 40 -14.113 1.133 -2.677 1.00 16.11 C ATOM 629 OE1 GLN A 40 -15.093 1.306 -3.387 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.812 -0.081 -2.140 1.00 18.16 N ATOM 0 H GLN A 40 -10.218 3.034 -3.485 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.379 3.886 -0.997 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.240 1.230 -2.556 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.871 1.295 -0.923 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.622 2.990 -1.686 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.005 2.873 -3.322 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -12.985 -0.188 -1.552 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.413 -0.884 -2.326 1.00 18.16 H new ATOM 639 N GLN A 41 -8.394 2.823 -1.115 1.00 6.52 N ATOM 640 CA GLN A 41 -7.264 2.395 -0.343 1.00 3.87 C ATOM 641 C GLN A 41 -6.547 3.572 0.302 1.00 4.79 C ATOM 642 O GLN A 41 -6.206 4.544 -0.349 1.00 6.34 O ATOM 643 CB GLN A 41 -6.256 1.594 -1.273 1.00 4.20 C ATOM 644 CG GLN A 41 -6.940 0.279 -1.793 1.00 3.20 C ATOM 645 CD GLN A 41 -6.187 -0.470 -2.881 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.071 -1.040 -2.599 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.634 -0.490 -4.135 1.00 7.13 N ATOM 0 H GLN A 41 -8.148 3.340 -1.959 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.626 1.748 0.455 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.953 2.215 -2.116 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.351 1.349 -0.717 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.083 -0.393 -0.947 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.931 0.532 -2.170 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.519 -0.040 -4.368 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -6.091 -0.955 -4.863 1.00 7.13 H new ATOM 656 N ARG A 42 -6.200 3.327 1.570 1.00 5.73 N ATOM 657 CA ARG A 42 -5.313 4.054 2.431 1.00 6.97 C ATOM 658 C ARG A 42 -4.214 3.230 2.997 1.00 7.15 C ATOM 659 O ARG A 42 -4.429 2.148 3.582 1.00 7.33 O ATOM 660 CB ARG A 42 -6.119 4.734 3.607 1.00 13.23 C ATOM 661 CG ARG A 42 -7.113 5.808 3.097 1.00 21.27 C ATOM 662 CD ARG A 42 -7.968 6.592 4.118 1.00 26.14 C ATOM 663 NE ARG A 42 -8.428 7.777 3.369 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.805 8.883 4.010 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.978 8.841 5.323 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.884 10.046 3.380 1.00 36.39 N ATOM 0 H ARG A 42 -6.589 2.518 2.055 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.846 4.811 1.801 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.666 3.969 4.159 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.419 5.193 4.306 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.542 6.536 2.521 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.797 5.319 2.404 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.808 5.996 4.476 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.383 6.876 4.993 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.458 7.749 2.350 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.823 7.970 5.830 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.266 9.680 5.827 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.654 10.105 2.388 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.174 10.882 3.887 1.00 36.39 H new ATOM 680 N LEU A 43 -2.919 3.608 2.733 1.00 4.65 N ATOM 681 CA LEU A 43 -1.737 2.874 3.152 1.00 3.51 C ATOM 682 C LEU A 43 -1.059 3.703 4.149 1.00 5.56 C ATOM 683 O LEU A 43 -1.132 4.935 4.095 1.00 4.19 O ATOM 684 CB LEU A 43 -0.767 2.540 2.027 1.00 3.74 C ATOM 685 CG LEU A 43 -1.261 1.257 1.211 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.369 1.256 0.006 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.112 -0.093 1.952 1.00 6.41 C ATOM 0 H LEU A 43 -2.695 4.454 2.210 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.062 1.910 3.543 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.678 3.392 1.353 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.225 2.354 2.439 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.330 1.333 1.013 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.621 0.409 -0.632 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.507 2.183 -0.550 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.671 1.175 0.323 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.475 -0.900 1.315 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.062 -0.263 2.191 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.694 -0.069 2.873 1.00 6.41 H new ATOM 699 N ILE A 44 -0.483 3.020 5.180 1.00 4.58 N ATOM 700 CA ILE A 44 0.190 3.584 6.285 1.00 5.55 C ATOM 701 C ILE A 44 1.388 2.683 6.504 1.00 5.46 C ATOM 702 O ILE A 44 1.306 1.468 6.382 1.00 6.04 O ATOM 703 CB ILE A 44 -0.629 3.535 7.577 1.00 6.80 C ATOM 704 CG1 ILE A 44 -1.759 4.615 7.554 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.191 3.768 8.820 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.764 4.537 8.680 1.00 13.90 C ATOM 0 H ILE A 44 -0.503 2.001 5.221 1.00 4.58 H new ATOM 0 HA ILE A 44 0.415 4.630 6.075 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.039 2.526 7.616 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.294 5.601 7.574 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.294 4.534 6.608 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.455 3.719 9.697 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.963 3.002 8.895 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.659 4.751 8.768 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.501 5.332 8.565 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.266 3.570 8.653 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.251 4.653 9.635 1.00 13.90 H new ATOM 718 N PHE A 45 2.533 3.319 6.844 1.00 6.75 N ATOM 719 CA PHE A 45 3.689 2.645 7.362 1.00 4.70 C ATOM 720 C PHE A 45 4.311 3.591 8.335 1.00 6.34 C ATOM 721 O PHE A 45 4.600 4.764 8.076 1.00 5.45 O ATOM 722 CB PHE A 45 4.665 2.361 6.222 1.00 5.51 C ATOM 723 CG PHE A 45 5.927 1.689 6.598 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.024 0.296 6.621 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.063 2.463 6.984 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.176 -0.374 7.016 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.208 1.806 7.389 1.00 6.64 C ATOM 728 CZ PHE A 45 8.292 0.401 7.442 1.00 6.84 C ATOM 0 H PHE A 45 2.655 4.328 6.755 1.00 6.75 H new ATOM 0 HA PHE A 45 3.431 1.697 7.833 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.156 1.745 5.480 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.911 3.306 5.737 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.166 -0.286 6.319 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.027 3.542 6.960 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.223 -1.453 7.000 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.070 2.390 7.675 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.189 -0.081 7.800 1.00 6.84 H new ATOM 738 N ALA A 46 4.648 3.071 9.530 1.00 6.53 N ATOM 739 CA ALA A 46 5.198 3.793 10.676 1.00 7.15 C ATOM 740 C ALA A 46 4.363 4.988 11.226 1.00 9.00 C ATOM 741 O ALA A 46 4.837 6.073 11.439 1.00 11.15 O ATOM 742 CB ALA A 46 6.645 4.383 10.324 1.00 8.99 C ATOM 0 H ALA A 46 4.534 2.076 9.725 1.00 6.53 H new ATOM 0 HA ALA A 46 5.208 3.028 11.452 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.040 4.917 11.188 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.318 3.566 10.064 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.563 5.068 9.480 1.00 8.99 H new ATOM 748 N GLY A 47 3.069 4.774 11.383 1.00 9.35 N ATOM 749 CA GLY A 47 2.080 5.729 11.808 1.00 11.68 C ATOM 750 C GLY A 47 1.732 6.887 10.856 1.00 11.14 C ATOM 751 O GLY A 47 0.979 7.754 11.268 1.00 13.93 O ATOM 0 H GLY A 47 2.659 3.858 11.201 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.160 5.184 12.020 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.418 6.162 12.750 1.00 11.68 H new ATOM 755 N LYS A 48 2.361 6.958 9.722 1.00 10.47 N ATOM 756 CA LYS A 48 2.033 8.019 8.778 1.00 8.82 C ATOM 757 C LYS A 48 1.274 7.501 7.537 1.00 7.68 C ATOM 758 O LYS A 48 1.671 6.535 6.849 1.00 6.47 O ATOM 759 CB LYS A 48 3.309 8.775 8.329 1.00 9.74 C ATOM 760 CG LYS A 48 3.704 10.096 9.093 1.00 14.14 C ATOM 761 CD LYS A 48 2.747 11.276 8.748 1.00 16.32 C ATOM 762 CE LYS A 48 3.530 12.639 8.876 1.00 20.04 C ATOM 763 NZ LYS A 48 2.612 13.753 8.681 1.00 23.92 N ATOM 0 H LYS A 48 3.092 6.315 9.418 1.00 10.47 H new ATOM 0 HA LYS A 48 1.371 8.703 9.308 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.149 8.084 8.404 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.194 9.023 7.274 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.683 9.914 10.167 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.727 10.372 8.836 1.00 14.14 H new ATOM 0 HD2 LYS A 48 2.359 11.160 7.736 1.00 16.32 H new ATOM 0 HD3 LYS A 48 1.889 11.272 9.421 1.00 16.32 H new ATOM 0 HE2 LYS A 48 3.999 12.709 9.857 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.330 12.681 8.137 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 3.132 14.650 8.766 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 2.184 13.689 7.735 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 1.864 13.717 9.402 1.00 23.92 H new ATOM 777 N GLN A 49 0.121 8.182 7.186 1.00 8.89 N ATOM 778 CA GLN A 49 -0.517 7.931 5.853 1.00 7.18 C ATOM 779 C GLN A 49 0.381 8.320 4.746 1.00 8.23 C ATOM 780 O GLN A 49 1.260 9.206 4.840 1.00 9.70 O ATOM 781 CB GLN A 49 -1.818 8.712 5.722 1.00 11.67 C ATOM 782 CG GLN A 49 -2.997 8.172 6.508 1.00 15.82 C ATOM 783 CD GLN A 49 -4.153 9.118 6.739 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.289 8.868 6.267 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.928 10.210 7.455 1.00 20.67 N ATOM 0 H GLN A 49 -0.354 8.867 7.774 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.720 6.862 5.792 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.636 9.739 6.038 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.094 8.746 4.668 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.377 7.292 5.989 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.633 7.837 7.479 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.996 10.392 7.828 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.686 10.869 7.633 1.00 20.67 H new ATOM 794 N LEU A 50 0.341 7.560 3.611 1.00 6.51 N ATOM 795 CA LEU A 50 1.412 7.725 2.641 1.00 7.41 C ATOM 796 C LEU A 50 0.873 8.290 1.309 1.00 8.27 C ATOM 797 O LEU A 50 -0.214 7.929 0.858 1.00 8.34 O ATOM 798 CB LEU A 50 2.019 6.316 2.299 1.00 7.13 C ATOM 799 CG LEU A 50 2.586 5.493 3.487 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.045 4.155 2.998 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.714 6.260 4.220 1.00 9.11 C ATOM 0 H LEU A 50 -0.379 6.877 3.374 1.00 6.51 H new ATOM 0 HA LEU A 50 2.147 8.402 3.076 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.246 5.722 1.812 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.818 6.457 1.571 1.00 7.13 H new ATOM 0 HG LEU A 50 1.793 5.337 4.219 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.443 3.579 3.834 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.204 3.621 2.557 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.823 4.290 2.247 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.088 5.655 5.046 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.527 6.465 3.523 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.322 7.200 4.608 1.00 9.11 H new ATOM 813 N GLU A 51 1.552 9.300 0.752 1.00 9.43 N ATOM 814 CA GLU A 51 1.091 9.968 -0.418 1.00 11.90 C ATOM 815 C GLU A 51 1.296 9.107 -1.710 1.00 11.49 C ATOM 816 O GLU A 51 2.331 8.418 -1.830 1.00 9.88 O ATOM 817 CB GLU A 51 1.912 11.273 -0.719 1.00 16.56 C ATOM 818 CG GLU A 51 2.126 12.245 0.461 1.00 26.06 C ATOM 819 CD GLU A 51 0.857 12.873 1.051 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.117 13.531 0.264 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.549 12.654 2.262 1.00 32.13 O ATOM 0 H GLU A 51 2.434 9.659 1.118 1.00 9.43 H new ATOM 0 HA GLU A 51 0.041 10.170 -0.208 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.890 10.979 -1.100 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.408 11.815 -1.519 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.647 11.712 1.256 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.785 13.048 0.130 1.00 26.06 H new ATOM 828 N ASP A 52 0.342 9.111 -2.616 1.00 12.71 N ATOM 829 CA ASP A 52 0.356 8.221 -3.750 1.00 16.56 C ATOM 830 C ASP A 52 1.605 8.257 -4.714 1.00 15.83 C ATOM 831 O ASP A 52 2.148 7.265 -5.163 1.00 17.21 O ATOM 832 CB ASP A 52 -0.971 8.468 -4.575 1.00 21.05 C ATOM 833 CG ASP A 52 -2.147 8.035 -3.836 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.532 6.819 -3.765 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.971 8.904 -3.397 1.00 25.82 O ATOM 0 H ASP A 52 -0.465 9.734 -2.584 1.00 12.71 H new ATOM 0 HA ASP A 52 0.428 7.223 -3.317 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.060 9.528 -4.814 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.917 7.931 -5.522 1.00 21.05 H new ATOM 840 N GLY A 53 2.073 9.497 -5.018 1.00 15.00 N ATOM 841 CA GLY A 53 3.158 9.756 -6.029 1.00 11.77 C ATOM 842 C GLY A 53 4.552 9.427 -5.540 1.00 11.10 C ATOM 843 O GLY A 53 5.569 9.482 -6.302 1.00 11.25 O ATOM 0 H GLY A 53 1.718 10.346 -4.578 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.952 9.171 -6.925 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.125 10.806 -6.320 1.00 11.77 H new ATOM 847 N ARG A 54 4.635 8.947 -4.299 1.00 8.53 N ATOM 848 CA ARG A 54 5.934 8.781 -3.596 1.00 9.05 C ATOM 849 C ARG A 54 6.389 7.366 -3.594 1.00 8.96 C ATOM 850 O ARG A 54 5.543 6.391 -3.583 1.00 11.60 O ATOM 851 CB ARG A 54 5.838 9.145 -2.075 1.00 7.97 C ATOM 852 CG ARG A 54 5.844 10.642 -1.777 1.00 9.62 C ATOM 853 CD ARG A 54 7.076 11.445 -2.234 1.00 12.20 C ATOM 854 NE ARG A 54 6.904 12.879 -1.892 1.00 18.23 N ATOM 855 CZ ARG A 54 7.735 13.661 -1.227 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.919 13.309 -0.748 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.372 14.936 -1.072 1.00 23.38 N ATOM 0 H ARG A 54 3.825 8.662 -3.749 1.00 8.53 H new ATOM 0 HA ARG A 54 6.615 9.439 -4.136 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.925 8.711 -1.668 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.673 8.680 -1.551 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.962 11.083 -2.242 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.736 10.773 -0.700 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.973 11.054 -1.755 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.214 11.333 -3.309 1.00 12.20 H new ATOM 0 HE ARG A 54 6.038 13.314 -2.210 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.261 12.357 -0.881 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.489 13.990 -0.246 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.488 15.265 -1.460 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.979 15.581 -0.566 1.00 23.38 H new ATOM 871 N THR A 55 7.683 7.075 -3.688 1.00 9.05 N ATOM 872 CA THR A 55 8.167 5.734 -3.833 1.00 9.03 C ATOM 873 C THR A 55 8.309 5.017 -2.559 1.00 8.15 C ATOM 874 O THR A 55 8.482 5.517 -1.502 1.00 5.91 O ATOM 875 CB THR A 55 9.521 5.591 -4.630 1.00 11.15 C ATOM 876 OG1 THR A 55 10.528 6.199 -3.907 1.00 11.95 O ATOM 877 CG2 THR A 55 9.388 6.257 -6.016 1.00 11.71 C ATOM 0 H THR A 55 8.420 7.780 -3.664 1.00 9.05 H new ATOM 0 HA THR A 55 7.376 5.276 -4.427 1.00 9.03 H new ATOM 0 HB THR A 55 9.757 4.536 -4.773 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.375 6.115 -4.392 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.327 6.154 -6.561 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.588 5.773 -6.577 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.155 7.314 -5.891 1.00 11.71 H new ATOM 885 N LEU A 56 8.325 3.660 -2.596 1.00 6.91 N ATOM 886 CA LEU A 56 8.653 2.832 -1.448 1.00 8.29 C ATOM 887 C LEU A 56 10.031 3.104 -0.803 1.00 8.05 C ATOM 888 O LEU A 56 10.157 3.201 0.451 1.00 10.17 O ATOM 889 CB LEU A 56 8.614 1.369 -1.886 1.00 6.60 C ATOM 890 CG LEU A 56 7.225 0.848 -2.254 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.327 -0.562 -2.864 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.341 0.823 -1.022 1.00 8.64 C ATOM 0 H LEU A 56 8.107 3.124 -3.436 1.00 6.91 H new ATOM 0 HA LEU A 56 7.913 3.077 -0.686 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.273 1.244 -2.745 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.017 0.753 -1.082 1.00 6.60 H new ATOM 0 HG LEU A 56 6.783 1.515 -2.995 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.330 -0.920 -3.121 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.943 -0.526 -3.763 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.780 -1.240 -2.141 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.352 0.451 -1.291 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.783 0.169 -0.270 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.251 1.831 -0.618 1.00 8.64 H new ATOM 904 N SER A 57 11.061 3.380 -1.652 1.00 8.92 N ATOM 905 CA SER A 57 12.314 3.878 -1.242 1.00 9.00 C ATOM 906 C SER A 57 12.228 5.206 -0.477 1.00 9.44 C ATOM 907 O SER A 57 12.947 5.431 0.450 1.00 10.91 O ATOM 908 CB SER A 57 13.251 3.992 -2.423 1.00 10.32 C ATOM 909 OG SER A 57 14.644 4.190 -1.995 1.00 13.59 O ATOM 0 H SER A 57 10.994 3.242 -2.660 1.00 8.92 H new ATOM 0 HA SER A 57 12.716 3.153 -0.534 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.182 3.090 -3.031 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.942 4.826 -3.054 1.00 10.32 H new ATOM 0 HG SER A 57 15.222 4.258 -2.784 1.00 13.59 H new ATOM 915 N ASP A 58 11.275 6.137 -0.834 1.00 9.11 N ATOM 916 CA ASP A 58 11.163 7.401 -0.124 1.00 7.91 C ATOM 917 C ASP A 58 10.545 7.407 1.249 1.00 9.12 C ATOM 918 O ASP A 58 10.821 8.271 1.994 1.00 8.61 O ATOM 919 CB ASP A 58 10.461 8.455 -1.094 1.00 8.41 C ATOM 920 CG ASP A 58 10.891 9.842 -0.742 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.146 10.144 -0.614 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.054 10.764 -0.543 1.00 10.05 O ATOM 0 H ASP A 58 10.605 6.012 -1.593 1.00 9.11 H new ATOM 0 HA ASP A 58 12.190 7.673 0.121 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.721 8.237 -2.130 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.377 8.370 -1.013 1.00 8.41 H new ATOM 927 N TYR A 59 9.776 6.388 1.618 1.00 7.97 N ATOM 928 CA TYR A 59 9.347 6.056 2.957 1.00 8.45 C ATOM 929 C TYR A 59 10.172 4.990 3.662 1.00 10.98 C ATOM 930 O TYR A 59 9.802 4.504 4.703 1.00 12.95 O ATOM 931 CB TYR A 59 7.906 5.615 2.854 1.00 7.94 C ATOM 932 CG TYR A 59 6.964 6.761 2.587 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.868 7.900 3.431 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.251 6.799 1.357 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.982 8.953 3.091 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.351 7.781 1.059 1.00 6.52 C ATOM 937 CZ TYR A 59 5.240 8.884 1.895 1.00 6.76 C ATOM 938 OH TYR A 59 4.345 9.905 1.610 1.00 7.63 O ATOM 0 H TYR A 59 9.413 5.727 0.931 1.00 7.97 H new ATOM 0 HA TYR A 59 9.480 6.944 3.575 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.812 4.879 2.055 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.615 5.119 3.780 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.467 7.963 4.327 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.429 6.020 0.630 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.876 9.805 3.746 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.730 7.701 0.179 1.00 6.52 H new ATOM 0 HH TYR A 59 4.840 10.724 1.399 1.00 7.63 H new ATOM 948 N ASN A 60 11.338 4.734 3.055 1.00 12.38 N ATOM 949 CA ASN A 60 12.348 3.847 3.559 1.00 13.94 C ATOM 950 C ASN A 60 11.846 2.431 3.823 1.00 14.16 C ATOM 951 O ASN A 60 12.287 1.715 4.738 1.00 14.26 O ATOM 952 CB ASN A 60 13.010 4.427 4.825 1.00 19.23 C ATOM 953 CG ASN A 60 13.561 5.817 4.519 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.096 6.771 5.090 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.579 5.965 3.722 1.00 24.09 N ATOM 0 H ASN A 60 11.596 5.164 2.167 1.00 12.38 H new ATOM 0 HA ASN A 60 13.092 3.766 2.766 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.283 4.482 5.636 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.813 3.771 5.161 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.985 6.890 3.580 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.971 5.156 3.240 1.00 24.09 H new ATOM 962 N ILE A 61 11.030 1.842 2.979 1.00 11.08 N ATOM 963 CA ILE A 61 10.521 0.553 2.939 1.00 11.78 C ATOM 964 C ILE A 61 11.441 -0.292 2.155 1.00 13.74 C ATOM 965 O ILE A 61 11.720 -0.035 0.981 1.00 14.60 O ATOM 966 CB ILE A 61 9.074 0.513 2.306 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.102 1.251 3.264 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.667 -0.947 1.918 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.726 1.634 2.682 1.00 11.42 C ATOM 0 H ILE A 61 10.671 2.377 2.188 1.00 11.08 H new ATOM 0 HA ILE A 61 10.436 0.179 3.959 1.00 11.78 H new ATOM 0 HB ILE A 61 9.038 1.046 1.356 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.940 0.621 4.138 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.591 2.161 3.613 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.667 -0.943 1.485 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.376 -1.341 1.190 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.674 -1.576 2.808 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.137 2.143 3.445 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.864 2.297 1.828 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.203 0.733 2.362 1.00 11.42 H new ATOM 981 N GLN A 62 11.984 -1.247 2.806 1.00 13.97 N ATOM 982 CA GLN A 62 12.931 -2.229 2.290 1.00 15.52 C ATOM 983 C GLN A 62 12.241 -3.593 2.406 1.00 13.94 C ATOM 984 O GLN A 62 11.085 -3.708 2.813 1.00 12.15 O ATOM 985 CB GLN A 62 14.229 -2.192 3.128 1.00 19.53 C ATOM 986 CG GLN A 62 14.994 -0.839 3.135 1.00 26.38 C ATOM 987 CD GLN A 62 16.085 -0.669 4.239 1.00 30.61 C ATOM 988 OE1 GLN A 62 17.275 -0.843 3.951 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.688 -0.381 5.490 1.00 32.71 N ATOM 0 H GLN A 62 11.779 -1.398 3.794 1.00 13.97 H new ATOM 0 HA GLN A 62 13.207 -2.024 1.256 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.982 -2.453 4.157 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.901 -2.965 2.756 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.468 -0.709 2.162 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.267 -0.035 3.246 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.698 -0.244 5.692 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.377 -0.300 6.238 1.00 32.71 H new ATOM 998 N LYS A 63 12.902 -4.731 2.078 1.00 11.73 N ATOM 999 CA LYS A 63 12.431 -6.124 2.216 1.00 11.97 C ATOM 1000 C LYS A 63 11.461 -6.463 3.343 1.00 10.41 C ATOM 1001 O LYS A 63 11.675 -5.904 4.448 1.00 9.59 O ATOM 1002 CB LYS A 63 13.567 -7.122 2.193 1.00 13.73 C ATOM 1003 CG LYS A 63 13.145 -8.592 2.038 1.00 16.98 C ATOM 1004 CD LYS A 63 14.319 -9.512 1.554 1.00 20.19 C ATOM 1005 CE LYS A 63 15.348 -9.716 2.663 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.806 -10.405 3.860 1.00 25.97 N ATOM 0 H LYS A 63 13.842 -4.693 1.684 1.00 11.73 H new ATOM 0 HA LYS A 63 11.815 -6.211 1.321 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.238 -6.865 1.373 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.138 -7.020 3.116 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.770 -8.961 2.993 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.322 -8.656 1.326 1.00 16.98 H new ATOM 0 HD2 LYS A 63 13.923 -10.477 1.239 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.801 -9.066 0.684 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.184 -10.294 2.269 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.744 -8.746 2.962 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.592 -10.736 4.456 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.214 -9.744 4.403 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.232 -11.219 3.562 1.00 25.97 H new ATOM 1020 N GLU A 64 10.371 -7.225 3.114 1.00 10.04 N ATOM 1021 CA GLU A 64 9.643 -7.962 4.177 1.00 10.94 C ATOM 1022 C GLU A 64 8.695 -7.140 5.058 1.00 9.74 C ATOM 1023 O GLU A 64 7.768 -7.594 5.671 1.00 9.42 O ATOM 1024 CB GLU A 64 10.591 -8.920 4.999 1.00 18.31 C ATOM 1025 CG GLU A 64 9.797 -9.875 5.934 1.00 24.16 C ATOM 1026 CD GLU A 64 10.695 -10.774 6.736 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.271 -11.748 6.151 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.861 -10.538 7.991 1.00 32.61 O ATOM 0 H GLU A 64 9.967 -7.349 2.186 1.00 10.04 H new ATOM 0 HA GLU A 64 8.947 -8.589 3.619 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.195 -9.510 4.309 1.00 18.31 H new ATOM 0 HB3 GLU A 64 11.280 -8.322 5.595 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.180 -9.285 6.612 1.00 24.16 H new ATOM 0 HG3 GLU A 64 9.120 -10.484 5.335 1.00 24.16 H new ATOM 1035 N SER A 65 8.935 -5.820 5.088 1.00 6.85 N ATOM 1036 CA SER A 65 8.020 -4.762 5.464 1.00 6.90 C ATOM 1037 C SER A 65 6.480 -5.021 5.280 1.00 4.72 C ATOM 1038 O SER A 65 6.037 -5.435 4.250 1.00 3.91 O ATOM 1039 CB SER A 65 8.266 -3.329 4.836 1.00 7.28 C ATOM 1040 OG SER A 65 9.633 -2.926 4.899 1.00 10.56 O ATOM 0 H SER A 65 9.849 -5.449 4.827 1.00 6.85 H new ATOM 0 HA SER A 65 8.283 -4.775 6.522 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.940 -3.332 3.796 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.651 -2.597 5.360 1.00 7.28 H new ATOM 0 HG SER A 65 10.102 -3.234 4.096 1.00 10.56 H new ATOM 1046 N THR A 66 5.730 -4.761 6.381 1.00 4.48 N ATOM 1047 CA THR A 66 4.298 -4.841 6.517 1.00 3.80 C ATOM 1048 C THR A 66 3.640 -3.480 6.282 1.00 4.60 C ATOM 1049 O THR A 66 3.807 -2.629 7.114 1.00 5.33 O ATOM 1050 CB THR A 66 3.784 -5.416 7.818 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.284 -6.723 8.168 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.213 -5.566 7.804 1.00 3.40 C ATOM 0 H THR A 66 6.171 -4.468 7.253 1.00 4.48 H new ATOM 0 HA THR A 66 4.015 -5.555 5.743 1.00 3.80 H new ATOM 0 HB THR A 66 4.144 -4.692 8.549 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.895 -7.004 9.023 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.879 -5.982 8.754 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.755 -4.588 7.655 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.918 -6.232 6.993 1.00 3.40 H new ATOM 1060 N LEU A 67 2.969 -3.191 5.144 1.00 4.17 N ATOM 1061 CA LEU A 67 2.253 -1.959 4.925 1.00 3.85 C ATOM 1062 C LEU A 67 0.842 -2.207 5.440 1.00 3.80 C ATOM 1063 O LEU A 67 0.344 -3.313 5.219 1.00 5.54 O ATOM 1064 CB LEU A 67 2.256 -1.521 3.451 1.00 7.18 C ATOM 1065 CG LEU A 67 3.664 -1.147 2.961 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.652 -2.352 2.699 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.407 -0.130 1.836 1.00 11.66 C ATOM 0 H LEU A 67 2.922 -3.832 4.352 1.00 4.17 H new ATOM 0 HA LEU A 67 2.735 -1.135 5.452 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.860 -2.327 2.833 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.590 -0.667 3.326 1.00 7.18 H new ATOM 0 HG LEU A 67 4.277 -0.686 3.735 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.613 -1.967 2.357 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.794 -2.914 3.622 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.232 -3.008 1.936 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.359 0.200 1.419 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.810 -0.597 1.053 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.870 0.729 2.238 1.00 11.66 H new ATOM 1079 N HIS A 68 0.232 -1.316 6.251 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.089 -1.527 6.747 1.00 4.17 C ATOM 1081 C HIS A 68 -2.047 -0.961 5.701 1.00 5.32 C ATOM 1082 O HIS A 68 -1.920 0.129 5.171 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.324 -0.887 8.111 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.200 -1.085 9.122 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.976 -0.354 9.016 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.105 -2.060 10.065 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.903 -0.954 9.756 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.451 -1.967 10.446 1.00 16.30 N ATOM 0 H HIS A 68 0.662 -0.445 6.562 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.253 -2.593 6.904 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.481 0.182 7.971 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.245 -1.292 8.531 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.106 0.495 8.466 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.596 -2.786 10.450 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.934 -0.634 9.784 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.081 -1.731 5.405 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.064 -1.382 4.441 1.00 3.97 C ATOM 1098 C LEU A 69 -5.351 -1.013 5.127 1.00 5.07 C ATOM 1099 O LEU A 69 -6.072 -1.846 5.731 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.199 -2.438 3.349 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.404 -2.483 2.384 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.425 -1.219 1.548 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.272 -3.688 1.463 1.00 9.96 C ATOM 0 H LEU A 69 -3.247 -2.634 5.849 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.740 -0.491 3.903 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.306 -2.362 2.729 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.161 -3.407 3.846 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.327 -2.560 2.959 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.275 -1.248 0.866 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.514 -0.352 2.202 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.501 -1.147 0.974 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.122 -3.720 0.782 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.349 -3.607 0.888 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.250 -4.601 2.059 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.791 0.245 5.013 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.929 0.751 5.719 1.00 6.26 C ATOM 1117 C VAL A 70 -7.919 1.045 4.625 1.00 9.22 C ATOM 1118 O VAL A 70 -7.643 1.674 3.599 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.347 1.978 6.411 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.462 2.886 6.932 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.225 1.561 7.410 1.00 8.54 C ATOM 0 H VAL A 70 -5.344 0.937 4.411 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.430 0.126 6.459 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.822 2.620 5.704 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.024 3.755 7.422 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.083 3.214 6.099 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.074 2.337 7.647 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -4.821 2.450 7.895 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.640 0.893 8.165 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.429 1.049 6.870 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.131 0.572 4.806 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.157 0.667 3.763 1.00 16.06 C ATOM 1133 C LEU A 71 -11.023 1.879 3.867 1.00 18.09 C ATOM 1134 O LEU A 71 -11.537 2.243 4.961 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.926 -0.703 3.681 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.027 -1.951 3.610 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.855 -3.274 3.633 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.135 -1.923 2.379 1.00 19.57 C ATOM 0 H LEU A 71 -9.442 0.115 5.663 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.670 0.831 2.801 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.575 -0.791 4.552 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.571 -0.688 2.803 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.399 -1.929 4.501 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.179 -4.127 3.581 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.434 -3.325 4.555 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.532 -3.295 2.779 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.513 -2.818 2.360 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.754 -1.891 1.482 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.498 -1.039 2.412 1.00 19.57 H new