USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 624 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 13:sc= 0.708 USER MOD Set 1.2: A 25 ASN :FLIP amide:sc= 0.67 F(o=-0.78,f=1.4) USER MOD Set 2.1: A 7 THR OG1 : rot 120:sc= 1.08 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.852 USER MOD Single : A 1 MET CE :methyl -178:sc=-0.00258 (180deg=-0.0129) USER MOD Single : A 1 MET N :NH3+ 166:sc= 1.93 (180deg=1.54) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -79:sc= 0.564 USER MOD Single : A 20 SER OG : rot -26:sc= 0.139 USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= 1.22 (180deg=0.697) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 1.14 (180deg=1.11) USER MOD Single : A 31 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.28) USER MOD Single : A 33 LYS NZ :NH3+ 155:sc= 1.99 (180deg=1.12) USER MOD Single : A 40 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.91) USER MOD Single : A 41 ASN : amide:sc= -0.0816 K(o=-0.082,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.284 F(o=-2.9!,f=-0.28) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.435 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 50:sc= 0.377 USER MOD Single : A 60 ASN : amide:sc= -0.0139 X(o=-0.014,f=-0.066) USER MOD Single : A 62 GLN : amide:sc= -0.646 X(o=-0.65,f=-1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -98:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.426 X(o=-0.43,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.370 -1.864 3.937 1.00 0.00 N ATOM 2 CA MET A 1 -13.000 -2.194 2.552 1.00 0.00 C ATOM 3 C MET A 1 -11.791 -3.108 2.571 1.00 0.00 C ATOM 4 O MET A 1 -11.051 -3.146 3.549 1.00 0.00 O ATOM 5 CB MET A 1 -12.617 -0.960 1.716 1.00 0.00 C ATOM 6 CG MET A 1 -13.786 -0.069 1.321 1.00 0.00 C ATOM 7 SD MET A 1 -14.513 0.865 2.681 1.00 0.00 S ATOM 8 CE MET A 1 -15.608 1.939 1.723 1.00 0.00 C ATOM 0 H1 MET A 1 -14.034 -1.064 3.938 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.821 -2.689 4.382 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.517 -1.606 4.472 1.00 0.00 H new ATOM 0 HA MET A 1 -13.875 -2.660 2.100 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.899 -0.365 2.280 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.111 -1.295 0.810 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.450 0.631 0.556 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.560 -0.688 0.868 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.125 2.624 2.395 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.020 2.510 1.005 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.340 1.331 1.191 1.00 0.00 H new ATOM 18 N GLN A 2 -11.537 -3.838 1.492 1.00 0.00 N ATOM 19 CA GLN A 2 -10.384 -4.716 1.387 1.00 0.00 C ATOM 20 C GLN A 2 -9.813 -4.534 -0.010 1.00 0.00 C ATOM 21 O GLN A 2 -10.546 -4.132 -0.915 1.00 0.00 O ATOM 22 CB GLN A 2 -10.755 -6.175 1.700 1.00 0.00 C ATOM 23 CG GLN A 2 -11.776 -6.734 0.708 1.00 0.00 C ATOM 24 CD GLN A 2 -12.021 -8.217 0.907 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.985 -8.639 1.551 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.186 -9.042 0.308 1.00 0.00 N ATOM 0 H GLN A 2 -12.130 -3.836 0.662 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.626 -4.457 2.127 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.855 -6.790 1.679 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.160 -6.237 2.710 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.717 -6.195 0.817 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -11.424 -6.560 -0.309 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.395 -8.673 -0.220 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.331 -10.050 0.372 1.00 0.00 H new ATOM 35 N ILE A 3 -8.518 -4.776 -0.176 1.00 0.00 N ATOM 36 CA ILE A 3 -7.802 -4.671 -1.445 1.00 0.00 C ATOM 37 C ILE A 3 -6.755 -5.785 -1.481 1.00 0.00 C ATOM 38 O ILE A 3 -6.550 -6.481 -0.477 1.00 0.00 O ATOM 39 CB ILE A 3 -7.197 -3.260 -1.693 1.00 0.00 C ATOM 40 CG1 ILE A 3 -5.871 -2.946 -0.963 1.00 0.00 C ATOM 41 CG2 ILE A 3 -8.217 -2.136 -1.441 1.00 0.00 C ATOM 42 CD1 ILE A 3 -5.960 -2.934 0.563 1.00 0.00 C ATOM 0 H ILE A 3 -7.915 -5.061 0.596 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.504 -4.800 -2.269 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.939 -3.295 -2.751 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.126 -3.683 -1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.511 -1.974 -1.298 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.747 -1.170 -1.627 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.068 -2.261 -2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.559 -2.180 -0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.981 -2.705 0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.677 -2.177 0.880 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.286 -3.912 0.916 1.00 0.00 H new ATOM 54 N PHE A 4 -6.123 -5.989 -2.630 1.00 0.00 N ATOM 55 CA PHE A 4 -5.088 -6.991 -2.822 1.00 0.00 C ATOM 56 C PHE A 4 -3.773 -6.250 -3.032 1.00 0.00 C ATOM 57 O PHE A 4 -3.771 -5.099 -3.477 1.00 0.00 O ATOM 58 CB PHE A 4 -5.459 -7.909 -3.989 1.00 0.00 C ATOM 59 CG PHE A 4 -6.774 -8.629 -3.761 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.837 -9.698 -2.846 1.00 0.00 C ATOM 61 CD2 PHE A 4 -7.943 -8.208 -4.425 1.00 0.00 C ATOM 62 CE1 PHE A 4 -8.052 -10.370 -2.632 1.00 0.00 C ATOM 63 CE2 PHE A 4 -9.165 -8.864 -4.185 1.00 0.00 C ATOM 64 CZ PHE A 4 -9.215 -9.952 -3.297 1.00 0.00 C ATOM 0 H PHE A 4 -6.322 -5.449 -3.472 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.984 -7.642 -1.954 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.524 -7.321 -4.904 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.667 -8.643 -4.137 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.951 -10.001 -2.309 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.902 -7.381 -5.119 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.091 -11.210 -1.954 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.064 -8.531 -4.683 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.149 -10.467 -3.126 1.00 0.00 H new ATOM 74 N VAL A 5 -2.658 -6.903 -2.717 1.00 0.00 N ATOM 75 CA VAL A 5 -1.323 -6.345 -2.838 1.00 0.00 C ATOM 76 C VAL A 5 -0.385 -7.408 -3.403 1.00 0.00 C ATOM 77 O VAL A 5 -0.294 -8.499 -2.840 1.00 0.00 O ATOM 78 CB VAL A 5 -0.837 -5.831 -1.466 1.00 0.00 C ATOM 79 CG1 VAL A 5 0.566 -5.221 -1.581 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.775 -4.761 -0.882 1.00 0.00 C ATOM 0 H VAL A 5 -2.663 -7.859 -2.362 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.334 -5.496 -3.521 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.825 -6.695 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.889 -4.865 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.263 -5.978 -1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.544 -4.386 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.392 -4.430 0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.827 -3.911 -1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.772 -5.183 -0.752 1.00 0.00 H new ATOM 90 N LYS A 6 0.266 -7.115 -4.531 1.00 0.00 N ATOM 91 CA LYS A 6 1.226 -7.995 -5.180 1.00 0.00 C ATOM 92 C LYS A 6 2.574 -7.653 -4.549 1.00 0.00 C ATOM 93 O LYS A 6 2.944 -6.476 -4.532 1.00 0.00 O ATOM 94 CB LYS A 6 1.249 -7.773 -6.704 1.00 0.00 C ATOM 95 CG LYS A 6 1.997 -8.888 -7.454 1.00 0.00 C ATOM 96 CD LYS A 6 1.167 -10.173 -7.580 1.00 0.00 C ATOM 97 CE LYS A 6 0.166 -10.157 -8.744 1.00 0.00 C ATOM 98 NZ LYS A 6 0.820 -10.370 -10.050 1.00 0.00 N ATOM 0 H LYS A 6 0.133 -6.234 -5.027 1.00 0.00 H new ATOM 0 HA LYS A 6 0.969 -9.045 -5.039 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.225 -7.715 -7.074 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.721 -6.815 -6.921 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.266 -8.534 -8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.928 -9.111 -6.932 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.843 -11.019 -7.707 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.624 -10.335 -6.649 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.584 -10.932 -8.585 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.359 -9.202 -8.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.104 -10.351 -10.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.518 -9.617 -10.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.300 -11.293 -10.052 1.00 0.00 H new ATOM 112 N THR A 7 3.264 -8.627 -3.970 1.00 0.00 N ATOM 113 CA THR A 7 4.553 -8.422 -3.331 1.00 0.00 C ATOM 114 C THR A 7 5.682 -8.485 -4.355 1.00 0.00 C ATOM 115 O THR A 7 5.494 -8.966 -5.475 1.00 0.00 O ATOM 116 CB THR A 7 4.764 -9.487 -2.242 1.00 0.00 C ATOM 117 OG1 THR A 7 4.740 -10.777 -2.810 1.00 0.00 O ATOM 118 CG2 THR A 7 3.702 -9.413 -1.138 1.00 0.00 C ATOM 0 H THR A 7 2.938 -9.593 -3.932 1.00 0.00 H new ATOM 0 HA THR A 7 4.564 -7.432 -2.875 1.00 0.00 H new ATOM 0 HB THR A 7 5.737 -9.287 -1.793 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.596 -11.224 -2.643 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.896 -10.186 -0.394 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.740 -8.433 -0.662 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.714 -9.567 -1.572 1.00 0.00 H new ATOM 126 N LEU A 8 6.881 -8.043 -3.954 1.00 0.00 N ATOM 127 CA LEU A 8 8.051 -8.087 -4.831 1.00 0.00 C ATOM 128 C LEU A 8 8.409 -9.546 -5.121 1.00 0.00 C ATOM 129 O LEU A 8 8.960 -9.837 -6.179 1.00 0.00 O ATOM 130 CB LEU A 8 9.256 -7.362 -4.210 1.00 0.00 C ATOM 131 CG LEU A 8 9.269 -5.853 -4.503 1.00 0.00 C ATOM 132 CD1 LEU A 8 10.358 -5.187 -3.663 1.00 0.00 C ATOM 133 CD2 LEU A 8 9.550 -5.551 -5.982 1.00 0.00 C ATOM 0 H LEU A 8 7.063 -7.652 -3.030 1.00 0.00 H new ATOM 0 HA LEU A 8 7.802 -7.572 -5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.249 -7.516 -3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.176 -7.808 -4.590 1.00 0.00 H new ATOM 0 HG LEU A 8 8.281 -5.464 -4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.371 -4.116 -3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.154 -5.352 -2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.327 -5.617 -3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.549 -4.472 -6.140 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.523 -5.957 -6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.777 -6.009 -6.600 1.00 0.00 H new ATOM 145 N THR A 9 8.069 -10.476 -4.223 1.00 0.00 N ATOM 146 CA THR A 9 8.340 -11.892 -4.415 1.00 0.00 C ATOM 147 C THR A 9 7.398 -12.488 -5.474 1.00 0.00 C ATOM 148 O THR A 9 7.533 -13.668 -5.801 1.00 0.00 O ATOM 149 CB THR A 9 8.246 -12.632 -3.073 1.00 0.00 C ATOM 150 OG1 THR A 9 6.965 -12.459 -2.496 1.00 0.00 O ATOM 151 CG2 THR A 9 9.306 -12.136 -2.085 1.00 0.00 C ATOM 0 H THR A 9 7.598 -10.261 -3.344 1.00 0.00 H new ATOM 0 HA THR A 9 9.356 -12.015 -4.790 1.00 0.00 H new ATOM 0 HB THR A 9 8.419 -13.689 -3.276 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.923 -12.939 -1.642 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.211 -12.681 -1.146 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.299 -12.303 -2.503 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.163 -11.071 -1.903 1.00 0.00 H new ATOM 159 N GLY A 10 6.438 -11.716 -5.999 1.00 0.00 N ATOM 160 CA GLY A 10 5.482 -12.124 -7.020 1.00 0.00 C ATOM 161 C GLY A 10 4.226 -12.768 -6.446 1.00 0.00 C ATOM 162 O GLY A 10 3.445 -13.367 -7.189 1.00 0.00 O ATOM 0 H GLY A 10 6.306 -10.748 -5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.198 -11.253 -7.611 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.964 -12.827 -7.700 1.00 0.00 H new ATOM 166 N LYS A 11 4.061 -12.708 -5.128 1.00 0.00 N ATOM 167 CA LYS A 11 2.941 -13.273 -4.394 1.00 0.00 C ATOM 168 C LYS A 11 1.817 -12.252 -4.279 1.00 0.00 C ATOM 169 O LYS A 11 2.013 -11.088 -4.618 1.00 0.00 O ATOM 170 CB LYS A 11 3.463 -13.622 -2.993 1.00 0.00 C ATOM 171 CG LYS A 11 2.826 -14.896 -2.432 1.00 0.00 C ATOM 172 CD LYS A 11 3.175 -15.071 -0.951 1.00 0.00 C ATOM 173 CE LYS A 11 2.286 -14.165 -0.084 1.00 0.00 C ATOM 174 NZ LYS A 11 2.776 -14.085 1.305 1.00 0.00 N ATOM 0 H LYS A 11 4.735 -12.244 -4.519 1.00 0.00 H new ATOM 0 HA LYS A 11 2.547 -14.152 -4.904 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.545 -13.747 -3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.263 -12.791 -2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.744 -14.850 -2.552 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.173 -15.761 -2.997 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.040 -16.112 -0.659 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.225 -14.828 -0.786 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.255 -13.165 -0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.265 -14.546 -0.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.151 -13.465 1.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.782 -15.036 1.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.741 -13.697 1.311 1.00 0.00 H new ATOM 188 N THR A 12 0.658 -12.650 -3.761 1.00 0.00 N ATOM 189 CA THR A 12 -0.475 -11.755 -3.552 1.00 0.00 C ATOM 190 C THR A 12 -0.899 -11.914 -2.089 1.00 0.00 C ATOM 191 O THR A 12 -0.877 -13.025 -1.548 1.00 0.00 O ATOM 192 CB THR A 12 -1.627 -12.018 -4.545 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.161 -12.075 -5.881 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.660 -10.887 -4.487 1.00 0.00 C ATOM 0 H THR A 12 0.478 -13.612 -3.472 1.00 0.00 H new ATOM 0 HA THR A 12 -0.188 -10.722 -3.748 1.00 0.00 H new ATOM 0 HB THR A 12 -2.068 -12.972 -4.257 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.915 -12.244 -6.484 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.464 -11.092 -5.194 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.071 -10.821 -3.480 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.181 -9.943 -4.746 1.00 0.00 H new ATOM 202 N ILE A 13 -1.272 -10.812 -1.439 1.00 0.00 N ATOM 203 CA ILE A 13 -1.726 -10.731 -0.053 1.00 0.00 C ATOM 204 C ILE A 13 -3.001 -9.873 -0.072 1.00 0.00 C ATOM 205 O ILE A 13 -3.154 -9.032 -0.962 1.00 0.00 O ATOM 206 CB ILE A 13 -0.604 -10.139 0.852 1.00 0.00 C ATOM 207 CG1 ILE A 13 0.686 -10.991 0.745 1.00 0.00 C ATOM 208 CG2 ILE A 13 -1.051 -10.031 2.325 1.00 0.00 C ATOM 209 CD1 ILE A 13 1.838 -10.582 1.675 1.00 0.00 C ATOM 0 H ILE A 13 -1.265 -9.899 -1.893 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.949 -11.711 0.369 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.396 -9.131 0.494 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.430 -12.030 0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.043 -10.948 -0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.240 -9.614 2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.923 -9.381 2.394 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.306 -11.022 2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.688 -11.245 1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.133 -9.555 1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.511 -10.655 2.712 1.00 0.00 H new ATOM 221 N THR A 14 -3.910 -10.069 0.881 1.00 0.00 N ATOM 222 CA THR A 14 -5.154 -9.319 1.010 1.00 0.00 C ATOM 223 C THR A 14 -5.028 -8.477 2.280 1.00 0.00 C ATOM 224 O THR A 14 -4.386 -8.910 3.239 1.00 0.00 O ATOM 225 CB THR A 14 -6.370 -10.264 1.097 1.00 0.00 C ATOM 226 OG1 THR A 14 -6.311 -11.291 0.118 1.00 0.00 O ATOM 227 CG2 THR A 14 -7.656 -9.454 0.882 1.00 0.00 C ATOM 0 H THR A 14 -3.796 -10.777 1.607 1.00 0.00 H new ATOM 0 HA THR A 14 -5.315 -8.688 0.136 1.00 0.00 H new ATOM 0 HB THR A 14 -6.361 -10.728 2.083 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.597 -10.934 -0.749 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.518 -10.118 0.943 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.735 -8.686 1.651 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.629 -8.983 -0.100 1.00 0.00 H new ATOM 235 N LEU A 15 -5.601 -7.271 2.297 1.00 0.00 N ATOM 236 CA LEU A 15 -5.561 -6.377 3.454 1.00 0.00 C ATOM 237 C LEU A 15 -6.932 -5.738 3.588 1.00 0.00 C ATOM 238 O LEU A 15 -7.661 -5.647 2.599 1.00 0.00 O ATOM 239 CB LEU A 15 -4.541 -5.233 3.282 1.00 0.00 C ATOM 240 CG LEU A 15 -3.102 -5.610 2.904 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.322 -4.328 2.601 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.374 -6.356 4.021 1.00 0.00 C ATOM 0 H LEU A 15 -6.109 -6.886 1.501 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.274 -6.966 4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.922 -4.556 2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.506 -4.672 4.216 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.156 -6.270 2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.297 -4.581 2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.796 -3.801 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.317 -3.688 3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.361 -6.597 3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.331 -5.727 4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.910 -7.277 4.253 1.00 0.00 H new ATOM 254 N GLU A 16 -7.245 -5.245 4.780 1.00 0.00 N ATOM 255 CA GLU A 16 -8.495 -4.579 5.104 1.00 0.00 C ATOM 256 C GLU A 16 -8.132 -3.154 5.520 1.00 0.00 C ATOM 257 O GLU A 16 -7.198 -2.956 6.301 1.00 0.00 O ATOM 258 CB GLU A 16 -9.234 -5.378 6.175 1.00 0.00 C ATOM 259 CG GLU A 16 -10.469 -4.612 6.651 1.00 0.00 C ATOM 260 CD GLU A 16 -11.335 -5.476 7.549 1.00 0.00 C ATOM 261 OE1 GLU A 16 -12.400 -5.946 7.086 1.00 0.00 O ATOM 262 OE2 GLU A 16 -10.984 -5.642 8.739 1.00 0.00 O ATOM 0 H GLU A 16 -6.609 -5.302 5.576 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.184 -4.524 4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.531 -6.348 5.775 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.570 -5.571 7.018 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.160 -3.717 7.191 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.050 -4.281 5.790 1.00 0.00 H new ATOM 269 N VAL A 17 -8.839 -2.171 4.968 1.00 0.00 N ATOM 270 CA VAL A 17 -8.666 -0.738 5.165 1.00 0.00 C ATOM 271 C VAL A 17 -10.021 -0.012 5.123 1.00 0.00 C ATOM 272 O VAL A 17 -11.055 -0.624 4.854 1.00 0.00 O ATOM 273 CB VAL A 17 -7.754 -0.214 4.028 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.335 -0.800 4.066 1.00 0.00 C ATOM 275 CG2 VAL A 17 -8.352 -0.471 2.623 1.00 0.00 C ATOM 0 H VAL A 17 -9.604 -2.373 4.324 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.219 -0.549 6.141 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.692 0.859 4.208 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.750 -0.391 3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.860 -0.541 5.012 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.387 -1.885 3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.673 -0.085 1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.489 -1.542 2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.315 0.033 2.540 1.00 0.00 H new ATOM 285 N GLU A 18 -10.031 1.303 5.322 1.00 0.00 N ATOM 286 CA GLU A 18 -11.215 2.153 5.292 1.00 0.00 C ATOM 287 C GLU A 18 -10.885 3.448 4.524 1.00 0.00 C ATOM 288 O GLU A 18 -9.709 3.756 4.336 1.00 0.00 O ATOM 289 CB GLU A 18 -11.663 2.472 6.720 1.00 0.00 C ATOM 290 CG GLU A 18 -12.090 1.255 7.565 1.00 0.00 C ATOM 291 CD GLU A 18 -13.259 0.399 7.043 1.00 0.00 C ATOM 292 OE1 GLU A 18 -13.428 -0.733 7.562 1.00 0.00 O ATOM 293 OE2 GLU A 18 -14.067 0.837 6.192 1.00 0.00 O ATOM 0 H GLU A 18 -9.178 1.826 5.517 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.030 1.636 4.786 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.848 2.982 7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.497 3.172 6.673 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.223 0.605 7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.354 1.613 8.560 1.00 0.00 H new ATOM 300 N PRO A 19 -11.874 4.250 4.091 1.00 0.00 N ATOM 301 CA PRO A 19 -11.650 5.490 3.342 1.00 0.00 C ATOM 302 C PRO A 19 -10.829 6.540 4.101 1.00 0.00 C ATOM 303 O PRO A 19 -10.066 7.293 3.484 1.00 0.00 O ATOM 304 CB PRO A 19 -13.047 6.026 3.000 1.00 0.00 C ATOM 305 CG PRO A 19 -13.933 4.787 3.116 1.00 0.00 C ATOM 306 CD PRO A 19 -13.294 4.013 4.249 1.00 0.00 C ATOM 0 HA PRO A 19 -11.053 5.277 2.456 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.358 6.810 3.691 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.080 6.453 1.998 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.967 5.050 3.340 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.944 4.211 2.190 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.650 4.362 5.219 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -13.529 2.950 4.187 1.00 0.00 H new ATOM 314 N SER A 20 -10.994 6.612 5.424 1.00 0.00 N ATOM 315 CA SER A 20 -10.281 7.544 6.285 1.00 0.00 C ATOM 316 C SER A 20 -8.899 7.004 6.667 1.00 0.00 C ATOM 317 O SER A 20 -8.093 7.764 7.208 1.00 0.00 O ATOM 318 CB SER A 20 -11.155 7.833 7.516 1.00 0.00 C ATOM 319 OG SER A 20 -10.602 8.833 8.340 1.00 0.00 O ATOM 0 H SER A 20 -11.641 6.009 5.932 1.00 0.00 H new ATOM 0 HA SER A 20 -10.099 8.478 5.753 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.148 8.142 7.190 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.280 6.917 8.094 1.00 0.00 H new ATOM 0 HG SER A 20 -9.630 8.856 8.219 1.00 0.00 H new ATOM 325 N ASP A 21 -8.590 5.728 6.401 1.00 0.00 N ATOM 326 CA ASP A 21 -7.285 5.179 6.757 1.00 0.00 C ATOM 327 C ASP A 21 -6.176 5.876 5.981 1.00 0.00 C ATOM 328 O ASP A 21 -6.139 5.834 4.746 1.00 0.00 O ATOM 329 CB ASP A 21 -7.179 3.657 6.544 1.00 0.00 C ATOM 330 CG ASP A 21 -7.860 2.816 7.623 1.00 0.00 C ATOM 331 OD1 ASP A 21 -7.976 1.592 7.421 1.00 0.00 O ATOM 332 OD2 ASP A 21 -8.276 3.357 8.678 1.00 0.00 O ATOM 0 H ASP A 21 -9.220 5.068 5.946 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.169 5.364 7.825 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.616 3.407 5.577 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.125 3.382 6.498 1.00 0.00 H new ATOM 337 N THR A 22 -5.286 6.558 6.706 1.00 0.00 N ATOM 338 CA THR A 22 -4.155 7.222 6.076 1.00 0.00 C ATOM 339 C THR A 22 -3.212 6.125 5.602 1.00 0.00 C ATOM 340 O THR A 22 -3.165 5.048 6.210 1.00 0.00 O ATOM 341 CB THR A 22 -3.420 8.176 7.026 1.00 0.00 C ATOM 342 OG1 THR A 22 -3.226 7.639 8.314 1.00 0.00 O ATOM 343 CG2 THR A 22 -4.177 9.470 7.217 1.00 0.00 C ATOM 0 H THR A 22 -5.330 6.661 7.720 1.00 0.00 H new ATOM 0 HA THR A 22 -4.512 7.839 5.252 1.00 0.00 H new ATOM 0 HB THR A 22 -2.457 8.344 6.544 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.412 6.677 8.299 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.624 10.118 7.896 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.294 9.968 6.255 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.160 9.258 7.638 1.00 0.00 H new ATOM 351 N ILE A 23 -2.394 6.415 4.591 1.00 0.00 N ATOM 352 CA ILE A 23 -1.455 5.446 4.045 1.00 0.00 C ATOM 353 C ILE A 23 -0.503 4.907 5.112 1.00 0.00 C ATOM 354 O ILE A 23 -0.017 3.793 4.950 1.00 0.00 O ATOM 355 CB ILE A 23 -0.758 6.029 2.805 1.00 0.00 C ATOM 356 CG1 ILE A 23 -1.760 6.322 1.660 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.371 5.122 2.293 1.00 0.00 C ATOM 358 CD1 ILE A 23 -2.886 5.306 1.429 1.00 0.00 C ATOM 0 H ILE A 23 -2.366 7.325 4.132 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.003 4.567 3.706 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.317 6.973 3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.217 7.293 1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.194 6.414 0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.833 5.576 1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.120 4.997 3.075 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.038 4.148 2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.510 5.637 0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.455 4.333 1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.494 5.225 2.330 1.00 0.00 H new ATOM 370 N GLU A 24 -0.246 5.637 6.201 1.00 0.00 N ATOM 371 CA GLU A 24 0.620 5.148 7.268 1.00 0.00 C ATOM 372 C GLU A 24 0.010 3.840 7.808 1.00 0.00 C ATOM 373 O GLU A 24 0.737 2.875 8.038 1.00 0.00 O ATOM 374 CB GLU A 24 0.779 6.226 8.349 1.00 0.00 C ATOM 375 CG GLU A 24 1.618 7.427 7.885 1.00 0.00 C ATOM 376 CD GLU A 24 3.107 7.079 7.838 1.00 0.00 C ATOM 377 OE1 GLU A 24 3.810 7.190 8.873 1.00 0.00 O ATOM 378 OE2 GLU A 24 3.610 6.662 6.778 1.00 0.00 O ATOM 0 H GLU A 24 -0.627 6.569 6.363 1.00 0.00 H new ATOM 0 HA GLU A 24 1.624 4.934 6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.208 6.576 8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.245 5.783 9.229 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.285 7.746 6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.460 8.267 8.561 1.00 0.00 H new ATOM 385 N ASN A 25 -1.327 3.767 7.922 1.00 0.00 N ATOM 386 CA ASN A 25 -2.039 2.569 8.399 1.00 0.00 C ATOM 387 C ASN A 25 -1.896 1.449 7.396 1.00 0.00 C ATOM 388 O ASN A 25 -1.619 0.310 7.746 1.00 0.00 O ATOM 389 CB ASN A 25 -3.557 2.745 8.571 1.00 0.00 C ATOM 390 CG ASN A 25 -3.802 3.770 9.628 1.00 0.00 C ATOM 391 OD1 ASN A 25 -3.636 4.997 9.213 1.00 0.00 O flip ATOM 392 ND2 ASN A 25 -3.984 3.489 10.805 1.00 0.00 N flip ATOM 0 H ASN A 25 -1.947 4.541 7.685 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.586 2.363 9.369 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.011 3.056 7.630 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.018 1.797 8.849 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.109 2.516 11.084 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.011 4.228 11.508 1.00 0.00 H new ATOM 399 N VAL A 26 -2.139 1.766 6.129 1.00 0.00 N ATOM 400 CA VAL A 26 -2.069 0.825 5.025 1.00 0.00 C ATOM 401 C VAL A 26 -0.665 0.209 4.994 1.00 0.00 C ATOM 402 O VAL A 26 -0.525 -1.006 4.865 1.00 0.00 O ATOM 403 CB VAL A 26 -2.495 1.536 3.726 1.00 0.00 C ATOM 404 CG1 VAL A 26 -2.684 0.505 2.605 1.00 0.00 C ATOM 405 CG2 VAL A 26 -3.807 2.330 3.934 1.00 0.00 C ATOM 0 H VAL A 26 -2.396 2.709 5.838 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.763 -0.006 5.146 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.709 2.238 3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.985 1.014 1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.746 -0.023 2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.455 -0.209 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.086 2.822 3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.601 1.647 4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.659 3.080 4.711 1.00 0.00 H new ATOM 415 N LYS A 27 0.369 1.038 5.152 1.00 0.00 N ATOM 416 CA LYS A 27 1.766 0.638 5.177 1.00 0.00 C ATOM 417 C LYS A 27 1.987 -0.252 6.403 1.00 0.00 C ATOM 418 O LYS A 27 2.669 -1.268 6.300 1.00 0.00 O ATOM 419 CB LYS A 27 2.624 1.909 5.164 1.00 0.00 C ATOM 420 CG LYS A 27 4.129 1.625 5.091 1.00 0.00 C ATOM 421 CD LYS A 27 4.937 2.892 4.784 1.00 0.00 C ATOM 422 CE LYS A 27 4.663 4.021 5.778 1.00 0.00 C ATOM 423 NZ LYS A 27 5.485 5.218 5.517 1.00 0.00 N ATOM 0 H LYS A 27 0.245 2.044 5.270 1.00 0.00 H new ATOM 0 HA LYS A 27 2.055 0.050 4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.336 2.525 4.312 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.414 2.490 6.062 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.465 1.201 6.037 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.320 0.877 4.321 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.000 2.652 4.797 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.700 3.234 3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.608 4.292 5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.857 3.665 6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.005 6.059 5.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.411 5.111 5.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.620 5.330 4.492 1.00 0.00 H new ATOM 437 N ALA A 28 1.419 0.089 7.560 1.00 0.00 N ATOM 438 CA ALA A 28 1.549 -0.705 8.773 1.00 0.00 C ATOM 439 C ALA A 28 0.907 -2.088 8.582 1.00 0.00 C ATOM 440 O ALA A 28 1.500 -3.108 8.937 1.00 0.00 O ATOM 441 CB ALA A 28 0.911 0.043 9.946 1.00 0.00 C ATOM 0 H ALA A 28 0.853 0.929 7.678 1.00 0.00 H new ATOM 0 HA ALA A 28 2.606 -0.858 8.992 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.009 -0.552 10.854 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.414 1.000 10.084 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.145 0.215 9.737 1.00 0.00 H new ATOM 447 N LYS A 29 -0.280 -2.132 7.970 1.00 0.00 N ATOM 448 CA LYS A 29 -1.062 -3.335 7.692 1.00 0.00 C ATOM 449 C LYS A 29 -0.327 -4.300 6.768 1.00 0.00 C ATOM 450 O LYS A 29 -0.572 -5.505 6.873 1.00 0.00 O ATOM 451 CB LYS A 29 -2.426 -2.932 7.113 1.00 0.00 C ATOM 452 CG LYS A 29 -3.358 -2.400 8.213 1.00 0.00 C ATOM 453 CD LYS A 29 -4.503 -1.569 7.622 1.00 0.00 C ATOM 454 CE LYS A 29 -5.598 -1.267 8.654 1.00 0.00 C ATOM 455 NZ LYS A 29 -6.438 -2.448 8.952 1.00 0.00 N ATOM 0 H LYS A 29 -0.743 -1.285 7.639 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.214 -3.870 8.629 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.288 -2.168 6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.886 -3.792 6.626 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.768 -3.236 8.780 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.787 -1.790 8.912 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.105 -0.632 7.233 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.940 -2.104 6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.136 -0.912 9.575 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.230 -0.460 8.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.213 -2.171 9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.834 -2.824 8.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.858 -3.180 9.410 1.00 0.00 H new ATOM 469 N ILE A 30 0.531 -3.815 5.863 1.00 0.00 N ATOM 470 CA ILE A 30 1.288 -4.699 4.982 1.00 0.00 C ATOM 471 C ILE A 30 2.586 -5.089 5.696 1.00 0.00 C ATOM 472 O ILE A 30 3.004 -6.239 5.579 1.00 0.00 O ATOM 473 CB ILE A 30 1.474 -4.116 3.568 1.00 0.00 C ATOM 474 CG1 ILE A 30 2.191 -5.091 2.613 1.00 0.00 C ATOM 475 CG2 ILE A 30 2.186 -2.761 3.542 1.00 0.00 C ATOM 476 CD1 ILE A 30 1.501 -6.446 2.419 1.00 0.00 C ATOM 0 H ILE A 30 0.715 -2.821 5.725 1.00 0.00 H new ATOM 0 HA ILE A 30 0.725 -5.613 4.792 1.00 0.00 H new ATOM 0 HB ILE A 30 0.455 -3.958 3.214 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.292 -4.611 1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.199 -5.266 2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.278 -2.418 2.511 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.609 -2.036 4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.179 -2.863 3.981 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.085 -7.056 1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.424 -6.956 3.379 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.503 -6.291 2.009 1.00 0.00 H new ATOM 488 N GLN A 31 3.208 -4.187 6.473 1.00 0.00 N ATOM 489 CA GLN A 31 4.431 -4.499 7.213 1.00 0.00 C ATOM 490 C GLN A 31 4.132 -5.666 8.155 1.00 0.00 C ATOM 491 O GLN A 31 4.936 -6.589 8.266 1.00 0.00 O ATOM 492 CB GLN A 31 4.937 -3.285 7.999 1.00 0.00 C ATOM 493 CG GLN A 31 5.716 -2.306 7.117 1.00 0.00 C ATOM 494 CD GLN A 31 6.150 -1.104 7.941 1.00 0.00 C ATOM 495 OE1 GLN A 31 7.228 -1.079 8.523 1.00 0.00 O ATOM 496 NE2 GLN A 31 5.272 -0.124 8.077 1.00 0.00 N ATOM 0 H GLN A 31 2.877 -3.231 6.602 1.00 0.00 H new ATOM 0 HA GLN A 31 5.220 -4.772 6.512 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.090 -2.769 8.451 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.576 -3.624 8.815 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.589 -2.801 6.691 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.095 -1.981 6.282 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.381 -0.166 7.583 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.486 0.673 8.676 1.00 0.00 H new ATOM 505 N ASP A 32 2.932 -5.686 8.741 1.00 0.00 N ATOM 506 CA ASP A 32 2.386 -6.701 9.649 1.00 0.00 C ATOM 507 C ASP A 32 2.360 -8.106 9.015 1.00 0.00 C ATOM 508 O ASP A 32 2.123 -9.097 9.704 1.00 0.00 O ATOM 509 CB ASP A 32 0.966 -6.232 10.023 1.00 0.00 C ATOM 510 CG ASP A 32 0.066 -7.279 10.680 1.00 0.00 C ATOM 511 OD1 ASP A 32 -0.989 -7.615 10.081 1.00 0.00 O ATOM 512 OD2 ASP A 32 0.326 -7.653 11.845 1.00 0.00 O ATOM 0 H ASP A 32 2.263 -4.933 8.581 1.00 0.00 H new ATOM 0 HA ASP A 32 3.020 -6.796 10.531 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.052 -5.381 10.698 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.473 -5.874 9.119 1.00 0.00 H new ATOM 517 N LYS A 33 2.627 -8.211 7.708 1.00 0.00 N ATOM 518 CA LYS A 33 2.643 -9.439 6.919 1.00 0.00 C ATOM 519 C LYS A 33 3.867 -9.498 6.000 1.00 0.00 C ATOM 520 O LYS A 33 3.931 -10.394 5.162 1.00 0.00 O ATOM 521 CB LYS A 33 1.367 -9.483 6.059 1.00 0.00 C ATOM 522 CG LYS A 33 0.072 -9.377 6.875 1.00 0.00 C ATOM 523 CD LYS A 33 -1.118 -9.124 5.953 1.00 0.00 C ATOM 524 CE LYS A 33 -2.399 -8.860 6.746 1.00 0.00 C ATOM 525 NZ LYS A 33 -2.317 -7.669 7.622 1.00 0.00 N ATOM 0 H LYS A 33 2.850 -7.391 7.144 1.00 0.00 H new ATOM 0 HA LYS A 33 2.688 -10.290 7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.398 -8.668 5.336 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.354 -10.413 5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.086 -10.296 7.440 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.157 -8.568 7.600 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.905 -8.270 5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.264 -9.986 5.302 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.228 -8.733 6.050 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.626 -9.735 7.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.273 -7.297 7.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.882 -7.934 8.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.738 -6.938 7.161 1.00 0.00 H new ATOM 539 N GLU A 34 4.839 -8.588 6.125 1.00 0.00 N ATOM 540 CA GLU A 34 6.032 -8.549 5.275 1.00 0.00 C ATOM 541 C GLU A 34 7.340 -8.358 6.061 1.00 0.00 C ATOM 542 O GLU A 34 8.398 -8.761 5.592 1.00 0.00 O ATOM 543 CB GLU A 34 5.812 -7.431 4.241 1.00 0.00 C ATOM 544 CG GLU A 34 6.852 -7.352 3.117 1.00 0.00 C ATOM 545 CD GLU A 34 6.813 -8.552 2.175 1.00 0.00 C ATOM 546 OE1 GLU A 34 7.275 -9.645 2.568 1.00 0.00 O ATOM 547 OE2 GLU A 34 6.336 -8.387 1.026 1.00 0.00 O ATOM 0 H GLU A 34 4.818 -7.849 6.828 1.00 0.00 H new ATOM 0 HA GLU A 34 6.157 -9.514 4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.828 -7.565 3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.796 -6.475 4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.687 -6.441 2.541 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.847 -7.275 3.556 1.00 0.00 H new ATOM 554 N GLY A 35 7.316 -7.739 7.242 1.00 0.00 N ATOM 555 CA GLY A 35 8.489 -7.514 8.087 1.00 0.00 C ATOM 556 C GLY A 35 9.422 -6.378 7.650 1.00 0.00 C ATOM 557 O GLY A 35 10.113 -5.822 8.506 1.00 0.00 O ATOM 0 H GLY A 35 6.456 -7.370 7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.148 -7.308 9.101 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.067 -8.438 8.127 1.00 0.00 H new ATOM 561 N ILE A 36 9.460 -5.992 6.372 1.00 0.00 N ATOM 562 CA ILE A 36 10.317 -4.912 5.850 1.00 0.00 C ATOM 563 C ILE A 36 10.051 -3.568 6.557 1.00 0.00 C ATOM 564 O ILE A 36 8.950 -3.388 7.084 1.00 0.00 O ATOM 565 CB ILE A 36 10.143 -4.788 4.316 1.00 0.00 C ATOM 566 CG1 ILE A 36 8.692 -4.539 3.842 1.00 0.00 C ATOM 567 CG2 ILE A 36 10.696 -6.039 3.628 1.00 0.00 C ATOM 568 CD1 ILE A 36 8.294 -3.066 3.893 1.00 0.00 C ATOM 0 H ILE A 36 8.885 -6.428 5.651 1.00 0.00 H new ATOM 0 HA ILE A 36 11.353 -5.174 6.063 1.00 0.00 H new ATOM 0 HB ILE A 36 10.705 -3.898 4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.581 -4.905 2.821 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.008 -5.117 4.464 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.571 -5.946 2.549 1.00 0.00 H new ATOM 0 HG22 ILE A 36 11.755 -6.145 3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.156 -6.917 3.982 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.266 -2.955 3.549 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.375 -2.702 4.917 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.957 -2.488 3.249 1.00 0.00 H new ATOM 580 N PRO A 37 11.015 -2.629 6.603 1.00 0.00 N ATOM 581 CA PRO A 37 10.817 -1.326 7.241 1.00 0.00 C ATOM 582 C PRO A 37 9.921 -0.426 6.365 1.00 0.00 C ATOM 583 O PRO A 37 9.743 -0.712 5.186 1.00 0.00 O ATOM 584 CB PRO A 37 12.229 -0.737 7.371 1.00 0.00 C ATOM 585 CG PRO A 37 12.957 -1.316 6.158 1.00 0.00 C ATOM 586 CD PRO A 37 12.357 -2.716 6.039 1.00 0.00 C ATOM 0 HA PRO A 37 10.319 -1.407 8.207 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.215 0.353 7.351 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.705 -1.032 8.306 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.782 -0.723 5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 37 14.036 -1.350 6.312 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.322 -3.038 4.998 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.960 -3.446 6.579 1.00 0.00 H new ATOM 594 N PRO A 38 9.420 0.721 6.857 1.00 0.00 N ATOM 595 CA PRO A 38 8.576 1.625 6.070 1.00 0.00 C ATOM 596 C PRO A 38 9.256 2.256 4.828 1.00 0.00 C ATOM 597 O PRO A 38 8.595 3.005 4.101 1.00 0.00 O ATOM 598 CB PRO A 38 8.115 2.715 7.047 1.00 0.00 C ATOM 599 CG PRO A 38 8.405 2.162 8.440 1.00 0.00 C ATOM 600 CD PRO A 38 9.541 1.173 8.231 1.00 0.00 C ATOM 0 HA PRO A 38 7.755 1.049 5.642 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.651 3.648 6.876 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.054 2.930 6.923 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.692 2.956 9.130 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.527 1.674 8.863 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.508 1.645 8.404 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.465 0.337 8.926 1.00 0.00 H new ATOM 608 N ASP A 39 10.565 2.053 4.634 1.00 0.00 N ATOM 609 CA ASP A 39 11.402 2.542 3.529 1.00 0.00 C ATOM 610 C ASP A 39 11.750 1.359 2.617 1.00 0.00 C ATOM 611 O ASP A 39 11.569 0.212 3.019 1.00 0.00 O ATOM 612 CB ASP A 39 12.689 3.145 4.111 1.00 0.00 C ATOM 613 CG ASP A 39 13.536 3.886 3.072 1.00 0.00 C ATOM 614 OD1 ASP A 39 14.589 3.348 2.656 1.00 0.00 O ATOM 615 OD2 ASP A 39 13.157 5.032 2.733 1.00 0.00 O ATOM 0 H ASP A 39 11.109 1.500 5.296 1.00 0.00 H new ATOM 0 HA ASP A 39 10.872 3.303 2.956 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.428 3.834 4.915 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.286 2.349 4.555 1.00 0.00 H new ATOM 620 N GLN A 40 12.275 1.584 1.405 1.00 0.00 N ATOM 621 CA GLN A 40 12.626 0.495 0.486 1.00 0.00 C ATOM 622 C GLN A 40 11.404 -0.399 0.197 1.00 0.00 C ATOM 623 O GLN A 40 11.537 -1.614 0.032 1.00 0.00 O ATOM 624 CB GLN A 40 13.873 -0.244 1.014 1.00 0.00 C ATOM 625 CG GLN A 40 14.669 -0.940 -0.103 1.00 0.00 C ATOM 626 CD GLN A 40 15.929 -1.630 0.414 1.00 0.00 C ATOM 627 OE1 GLN A 40 16.405 -1.364 1.515 1.00 0.00 O ATOM 628 NE2 GLN A 40 16.517 -2.505 -0.383 1.00 0.00 N ATOM 0 H GLN A 40 12.466 2.516 1.038 1.00 0.00 H new ATOM 0 HA GLN A 40 12.906 0.891 -0.490 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.521 0.466 1.527 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.566 -0.986 1.751 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.032 -1.676 -0.593 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.946 -0.205 -0.858 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.112 -2.717 -1.295 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.376 -2.968 -0.086 1.00 0.00 H new ATOM 637 N ASN A 41 10.209 0.208 0.107 1.00 0.00 N ATOM 638 CA ASN A 41 8.931 -0.455 -0.166 1.00 0.00 C ATOM 639 C ASN A 41 7.840 0.601 -0.337 1.00 0.00 C ATOM 640 O ASN A 41 7.724 1.469 0.531 1.00 0.00 O ATOM 641 CB ASN A 41 8.547 -1.336 1.035 1.00 0.00 C ATOM 642 CG ASN A 41 8.351 -2.780 0.621 1.00 0.00 C ATOM 643 OD1 ASN A 41 7.241 -3.212 0.331 1.00 0.00 O ATOM 644 ND2 ASN A 41 9.423 -3.541 0.521 1.00 0.00 N ATOM 0 H ASN A 41 10.107 1.216 0.228 1.00 0.00 H new ATOM 0 HA ASN A 41 9.028 -1.058 -1.069 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.326 -1.276 1.796 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.630 -0.958 1.487 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.336 -4.505 0.198 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.339 -3.166 0.766 1.00 0.00 H new ATOM 651 N ARG A 42 6.991 0.531 -1.368 1.00 0.00 N ATOM 652 CA ARG A 42 5.921 1.483 -1.610 1.00 0.00 C ATOM 653 C ARG A 42 4.792 0.809 -2.383 1.00 0.00 C ATOM 654 O ARG A 42 5.080 -0.005 -3.259 1.00 0.00 O ATOM 655 CB ARG A 42 6.567 2.602 -2.425 1.00 0.00 C ATOM 656 CG ARG A 42 5.659 3.271 -3.456 1.00 0.00 C ATOM 657 CD ARG A 42 6.542 4.220 -4.234 1.00 0.00 C ATOM 658 NE ARG A 42 6.839 5.427 -3.454 1.00 0.00 N ATOM 659 CZ ARG A 42 7.967 6.138 -3.477 1.00 0.00 C ATOM 660 NH1 ARG A 42 8.936 5.876 -4.352 1.00 0.00 N ATOM 661 NH2 ARG A 42 8.128 7.115 -2.596 1.00 0.00 N ATOM 0 H ARG A 42 7.036 -0.209 -2.069 1.00 0.00 H new ATOM 0 HA ARG A 42 5.480 1.867 -0.690 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.931 3.365 -1.737 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.437 2.196 -2.941 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.205 2.531 -4.115 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.844 3.807 -2.969 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.472 3.719 -4.502 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.050 4.498 -5.166 1.00 0.00 H new ATOM 0 HE ARG A 42 6.105 5.757 -2.828 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.824 5.117 -5.024 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.790 6.434 -4.350 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.395 7.313 -1.915 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.985 7.669 -2.599 1.00 0.00 H new ATOM 675 N LEU A 43 3.537 1.165 -2.083 1.00 0.00 N ATOM 676 CA LEU A 43 2.364 0.623 -2.770 1.00 0.00 C ATOM 677 C LEU A 43 2.108 1.462 -4.029 1.00 0.00 C ATOM 678 O LEU A 43 2.385 2.664 -4.050 1.00 0.00 O ATOM 679 CB LEU A 43 1.085 0.706 -1.911 1.00 0.00 C ATOM 680 CG LEU A 43 0.864 -0.283 -0.751 1.00 0.00 C ATOM 681 CD1 LEU A 43 0.681 -1.719 -1.248 1.00 0.00 C ATOM 682 CD2 LEU A 43 1.929 -0.199 0.345 1.00 0.00 C ATOM 0 H LEU A 43 3.308 1.840 -1.353 1.00 0.00 H new ATOM 0 HA LEU A 43 2.573 -0.423 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.043 1.711 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.235 0.607 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.069 0.030 -0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.528 -2.382 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.186 -1.768 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.571 -2.031 -1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.705 -0.925 1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.908 -0.416 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.933 0.804 0.772 1.00 0.00 H new ATOM 694 N ILE A 44 1.473 0.864 -5.036 1.00 0.00 N ATOM 695 CA ILE A 44 1.107 1.464 -6.318 1.00 0.00 C ATOM 696 C ILE A 44 -0.307 0.974 -6.653 1.00 0.00 C ATOM 697 O ILE A 44 -0.574 -0.197 -6.428 1.00 0.00 O ATOM 698 CB ILE A 44 2.076 0.985 -7.431 1.00 0.00 C ATOM 699 CG1 ILE A 44 3.575 1.028 -7.075 1.00 0.00 C ATOM 700 CG2 ILE A 44 1.817 1.724 -8.757 1.00 0.00 C ATOM 701 CD1 ILE A 44 4.186 2.426 -6.975 1.00 0.00 C ATOM 0 H ILE A 44 1.183 -0.112 -4.975 1.00 0.00 H new ATOM 0 HA ILE A 44 1.156 2.551 -6.256 1.00 0.00 H new ATOM 0 HB ILE A 44 1.843 -0.074 -7.544 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.720 0.518 -6.123 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.126 0.462 -7.826 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.513 1.365 -9.516 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.794 1.536 -9.084 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.960 2.795 -8.611 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.243 2.344 -6.720 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.082 2.938 -7.932 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.670 2.994 -6.201 1.00 0.00 H new ATOM 713 N PHE A 45 -1.195 1.803 -7.205 1.00 0.00 N ATOM 714 CA PHE A 45 -2.574 1.480 -7.606 1.00 0.00 C ATOM 715 C PHE A 45 -2.699 2.008 -9.038 1.00 0.00 C ATOM 716 O PHE A 45 -2.741 3.223 -9.247 1.00 0.00 O ATOM 717 CB PHE A 45 -3.595 2.216 -6.712 1.00 0.00 C ATOM 718 CG PHE A 45 -4.990 2.251 -7.316 1.00 0.00 C ATOM 719 CD1 PHE A 45 -5.446 3.389 -8.010 1.00 0.00 C ATOM 720 CD2 PHE A 45 -5.787 1.096 -7.291 1.00 0.00 C ATOM 721 CE1 PHE A 45 -6.676 3.359 -8.691 1.00 0.00 C ATOM 722 CE2 PHE A 45 -7.017 1.069 -7.973 1.00 0.00 C ATOM 723 CZ PHE A 45 -7.469 2.202 -8.666 1.00 0.00 C ATOM 0 H PHE A 45 -0.961 2.777 -7.397 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.773 0.412 -7.520 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.638 1.727 -5.739 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.252 3.237 -6.541 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.848 4.288 -8.019 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.455 0.225 -6.746 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.011 4.230 -9.235 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.617 0.171 -7.963 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.421 2.184 -9.177 1.00 0.00 H new ATOM 733 N ALA A 46 -2.777 1.114 -10.022 1.00 0.00 N ATOM 734 CA ALA A 46 -2.932 1.399 -11.445 1.00 0.00 C ATOM 735 C ALA A 46 -1.970 2.479 -11.951 1.00 0.00 C ATOM 736 O ALA A 46 -2.354 3.327 -12.756 1.00 0.00 O ATOM 737 CB ALA A 46 -4.408 1.725 -11.731 1.00 0.00 C ATOM 0 H ALA A 46 -2.731 0.112 -9.835 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.654 0.510 -12.011 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.534 1.940 -12.792 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.029 0.872 -11.457 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.708 2.595 -11.147 1.00 0.00 H new ATOM 743 N GLY A 47 -0.745 2.493 -11.425 1.00 0.00 N ATOM 744 CA GLY A 47 0.286 3.438 -11.808 1.00 0.00 C ATOM 745 C GLY A 47 0.464 4.645 -10.883 1.00 0.00 C ATOM 746 O GLY A 47 1.429 5.393 -11.058 1.00 0.00 O ATOM 0 H GLY A 47 -0.443 1.833 -10.708 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.236 2.906 -11.866 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.063 3.803 -12.811 1.00 0.00 H new ATOM 750 N LYS A 48 -0.426 4.891 -9.915 1.00 0.00 N ATOM 751 CA LYS A 48 -0.264 6.013 -8.991 1.00 0.00 C ATOM 752 C LYS A 48 0.495 5.475 -7.793 1.00 0.00 C ATOM 753 O LYS A 48 0.107 4.451 -7.231 1.00 0.00 O ATOM 754 CB LYS A 48 -1.597 6.660 -8.601 1.00 0.00 C ATOM 755 CG LYS A 48 -1.360 7.826 -7.625 1.00 0.00 C ATOM 756 CD LYS A 48 -2.535 8.804 -7.550 1.00 0.00 C ATOM 757 CE LYS A 48 -2.665 9.613 -8.847 1.00 0.00 C ATOM 758 NZ LYS A 48 -3.666 10.696 -8.727 1.00 0.00 N ATOM 0 H LYS A 48 -1.262 4.329 -9.753 1.00 0.00 H new ATOM 0 HA LYS A 48 0.291 6.821 -9.468 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.108 7.022 -9.493 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.248 5.917 -8.140 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.167 7.424 -6.630 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.464 8.368 -7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.458 8.254 -7.367 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.395 9.482 -6.708 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.697 10.041 -9.106 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.947 8.947 -9.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.722 11.218 -9.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.596 10.286 -8.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.384 11.346 -7.966 1.00 0.00 H new ATOM 772 N GLN A 49 1.592 6.140 -7.447 1.00 0.00 N ATOM 773 CA GLN A 49 2.441 5.780 -6.327 1.00 0.00 C ATOM 774 C GLN A 49 1.742 6.307 -5.084 1.00 0.00 C ATOM 775 O GLN A 49 1.320 7.466 -5.075 1.00 0.00 O ATOM 776 CB GLN A 49 3.856 6.372 -6.466 1.00 0.00 C ATOM 777 CG GLN A 49 4.550 6.113 -7.816 1.00 0.00 C ATOM 778 CD GLN A 49 4.070 6.928 -9.026 1.00 0.00 C ATOM 779 OE1 GLN A 49 3.330 8.023 -8.887 1.00 0.00 O flip ATOM 780 NE2 GLN A 49 4.390 6.564 -10.153 1.00 0.00 N flip ATOM 0 H GLN A 49 1.920 6.963 -7.952 1.00 0.00 H new ATOM 0 HA GLN A 49 2.580 4.700 -6.278 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.798 7.449 -6.307 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.481 5.965 -5.671 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.616 6.298 -7.687 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.436 5.056 -8.056 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.958 5.726 -10.276 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.088 7.100 -10.967 1.00 0.00 H new ATOM 789 N LEU A 50 1.638 5.473 -4.052 1.00 0.00 N ATOM 790 CA LEU A 50 0.962 5.814 -2.811 1.00 0.00 C ATOM 791 C LEU A 50 1.982 6.010 -1.697 1.00 0.00 C ATOM 792 O LEU A 50 2.876 5.174 -1.508 1.00 0.00 O ATOM 793 CB LEU A 50 -0.062 4.716 -2.470 1.00 0.00 C ATOM 794 CG LEU A 50 -0.937 4.259 -3.660 1.00 0.00 C ATOM 795 CD1 LEU A 50 -1.895 3.156 -3.221 1.00 0.00 C ATOM 796 CD2 LEU A 50 -1.746 5.402 -4.284 1.00 0.00 C ATOM 0 H LEU A 50 2.027 4.530 -4.058 1.00 0.00 H new ATOM 0 HA LEU A 50 0.423 6.754 -2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.471 3.851 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.714 5.080 -1.676 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.249 3.888 -4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.504 2.844 -4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.324 2.304 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.542 3.530 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.339 5.017 -5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.409 5.831 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.066 6.171 -4.650 1.00 0.00 H new ATOM 808 N GLU A 51 1.857 7.097 -0.945 1.00 0.00 N ATOM 809 CA GLU A 51 2.734 7.451 0.159 1.00 0.00 C ATOM 810 C GLU A 51 1.938 8.136 1.270 1.00 0.00 C ATOM 811 O GLU A 51 0.714 8.254 1.197 1.00 0.00 O ATOM 812 CB GLU A 51 3.893 8.322 -0.357 1.00 0.00 C ATOM 813 CG GLU A 51 3.482 9.771 -0.654 1.00 0.00 C ATOM 814 CD GLU A 51 4.072 10.287 -1.959 1.00 0.00 C ATOM 815 OE1 GLU A 51 4.641 11.401 -1.967 1.00 0.00 O ATOM 816 OE2 GLU A 51 3.838 9.673 -3.025 1.00 0.00 O ATOM 0 H GLU A 51 1.114 7.780 -1.095 1.00 0.00 H new ATOM 0 HA GLU A 51 3.168 6.549 0.590 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.694 8.324 0.383 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.298 7.874 -1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.395 9.835 -0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.805 10.412 0.166 1.00 0.00 H new ATOM 823 N ASP A 52 2.649 8.509 2.327 1.00 0.00 N ATOM 824 CA ASP A 52 2.158 9.186 3.517 1.00 0.00 C ATOM 825 C ASP A 52 1.498 10.528 3.185 1.00 0.00 C ATOM 826 O ASP A 52 1.587 11.048 2.069 1.00 0.00 O ATOM 827 CB ASP A 52 3.348 9.412 4.460 1.00 0.00 C ATOM 828 CG ASP A 52 4.398 10.300 3.791 1.00 0.00 C ATOM 829 OD1 ASP A 52 4.340 11.544 3.934 1.00 0.00 O ATOM 830 OD2 ASP A 52 5.254 9.736 3.071 1.00 0.00 O ATOM 0 H ASP A 52 3.653 8.334 2.377 1.00 0.00 H new ATOM 0 HA ASP A 52 1.397 8.563 3.987 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.005 9.877 5.384 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.792 8.454 4.731 1.00 0.00 H new ATOM 835 N GLY A 53 0.820 11.108 4.175 1.00 0.00 N ATOM 836 CA GLY A 53 0.141 12.387 4.039 1.00 0.00 C ATOM 837 C GLY A 53 -1.194 12.296 3.311 1.00 0.00 C ATOM 838 O GLY A 53 -1.903 13.305 3.232 1.00 0.00 O ATOM 0 H GLY A 53 0.728 10.694 5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.024 12.808 5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.791 13.078 3.503 1.00 0.00 H new ATOM 842 N ARG A 54 -1.582 11.115 2.828 1.00 0.00 N ATOM 843 CA ARG A 54 -2.815 10.864 2.095 1.00 0.00 C ATOM 844 C ARG A 54 -3.629 9.754 2.745 1.00 0.00 C ATOM 845 O ARG A 54 -3.142 9.076 3.654 1.00 0.00 O ATOM 846 CB ARG A 54 -2.415 10.452 0.673 1.00 0.00 C ATOM 847 CG ARG A 54 -1.596 11.507 -0.079 1.00 0.00 C ATOM 848 CD ARG A 54 -2.452 12.713 -0.454 1.00 0.00 C ATOM 849 NE ARG A 54 -1.695 13.625 -1.325 1.00 0.00 N ATOM 850 CZ ARG A 54 -2.157 14.274 -2.398 1.00 0.00 C ATOM 851 NH1 ARG A 54 -3.409 14.104 -2.805 1.00 0.00 N ATOM 852 NH2 ARG A 54 -1.339 15.089 -3.051 1.00 0.00 N ATOM 0 H ARG A 54 -1.018 10.273 2.944 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.436 11.760 2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.839 9.528 0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.318 10.234 0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.760 11.831 0.541 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.172 11.066 -0.981 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.357 12.381 -0.963 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.767 13.238 0.448 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.715 13.778 -1.085 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.029 13.473 -2.297 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.751 14.605 -3.625 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.378 15.210 -2.732 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.671 15.594 -3.873 1.00 0.00 H new ATOM 866 N THR A 55 -4.840 9.555 2.243 1.00 0.00 N ATOM 867 CA THR A 55 -5.804 8.555 2.666 1.00 0.00 C ATOM 868 C THR A 55 -6.303 7.815 1.431 1.00 0.00 C ATOM 869 O THR A 55 -6.015 8.177 0.282 1.00 0.00 O ATOM 870 CB THR A 55 -7.008 9.232 3.353 1.00 0.00 C ATOM 871 OG1 THR A 55 -7.580 10.170 2.461 1.00 0.00 O ATOM 872 CG2 THR A 55 -6.668 9.915 4.671 1.00 0.00 C ATOM 0 H THR A 55 -5.196 10.128 1.478 1.00 0.00 H new ATOM 0 HA THR A 55 -5.329 7.869 3.368 1.00 0.00 H new ATOM 0 HB THR A 55 -7.714 8.440 3.601 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.347 10.603 2.890 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.568 10.366 5.090 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.272 9.179 5.371 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.921 10.689 4.497 1.00 0.00 H new ATOM 880 N LEU A 56 -7.095 6.774 1.666 1.00 0.00 N ATOM 881 CA LEU A 56 -7.686 5.996 0.596 1.00 0.00 C ATOM 882 C LEU A 56 -8.693 6.856 -0.162 1.00 0.00 C ATOM 883 O LEU A 56 -8.836 6.700 -1.379 1.00 0.00 O ATOM 884 CB LEU A 56 -8.346 4.753 1.201 1.00 0.00 C ATOM 885 CG LEU A 56 -7.489 3.509 0.908 1.00 0.00 C ATOM 886 CD1 LEU A 56 -7.157 2.762 2.192 1.00 0.00 C ATOM 887 CD2 LEU A 56 -8.250 2.635 -0.083 1.00 0.00 C ATOM 0 H LEU A 56 -7.341 6.451 2.602 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.924 5.674 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.462 4.880 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.345 4.623 0.786 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.534 3.800 0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.551 1.887 1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.602 3.419 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.080 2.444 2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.663 1.744 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.205 2.340 0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.426 3.195 -1.001 1.00 0.00 H new ATOM 899 N SER A 57 -9.390 7.756 0.542 1.00 0.00 N ATOM 900 CA SER A 57 -10.350 8.634 -0.098 1.00 0.00 C ATOM 901 C SER A 57 -9.591 9.698 -0.901 1.00 0.00 C ATOM 902 O SER A 57 -10.014 9.974 -2.023 1.00 0.00 O ATOM 903 CB SER A 57 -11.328 9.228 0.924 1.00 0.00 C ATOM 904 OG SER A 57 -12.594 9.454 0.326 1.00 0.00 O ATOM 0 H SER A 57 -9.301 7.888 1.550 1.00 0.00 H new ATOM 0 HA SER A 57 -10.969 8.068 -0.794 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.435 8.550 1.771 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.931 10.165 1.314 1.00 0.00 H new ATOM 0 HG SER A 57 -13.207 9.831 0.991 1.00 0.00 H new ATOM 910 N ASP A 58 -8.472 10.246 -0.398 1.00 0.00 N ATOM 911 CA ASP A 58 -7.683 11.263 -1.109 1.00 0.00 C ATOM 912 C ASP A 58 -7.255 10.712 -2.458 1.00 0.00 C ATOM 913 O ASP A 58 -7.415 11.385 -3.479 1.00 0.00 O ATOM 914 CB ASP A 58 -6.379 11.662 -0.390 1.00 0.00 C ATOM 915 CG ASP A 58 -6.494 12.696 0.726 1.00 0.00 C ATOM 916 OD1 ASP A 58 -5.474 12.900 1.419 1.00 0.00 O ATOM 917 OD2 ASP A 58 -7.554 13.339 0.901 1.00 0.00 O ATOM 0 H ASP A 58 -8.090 9.995 0.514 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.332 12.136 -1.177 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.933 10.760 0.028 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.683 12.045 -1.137 1.00 0.00 H new ATOM 922 N TYR A 59 -6.700 9.492 -2.478 1.00 0.00 N ATOM 923 CA TYR A 59 -6.257 8.895 -3.728 1.00 0.00 C ATOM 924 C TYR A 59 -7.428 8.350 -4.544 1.00 0.00 C ATOM 925 O TYR A 59 -7.235 7.964 -5.698 1.00 0.00 O ATOM 926 CB TYR A 59 -5.254 7.774 -3.447 1.00 0.00 C ATOM 927 CG TYR A 59 -3.864 8.238 -3.076 1.00 0.00 C ATOM 928 CD1 TYR A 59 -3.118 9.003 -3.993 1.00 0.00 C ATOM 929 CD2 TYR A 59 -3.283 7.832 -1.863 1.00 0.00 C ATOM 930 CE1 TYR A 59 -1.774 9.319 -3.734 1.00 0.00 C ATOM 931 CE2 TYR A 59 -1.940 8.145 -1.603 1.00 0.00 C ATOM 932 CZ TYR A 59 -1.177 8.871 -2.537 1.00 0.00 C ATOM 933 OH TYR A 59 0.122 9.134 -2.247 1.00 0.00 O ATOM 0 H TYR A 59 -6.552 8.913 -1.651 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.777 9.678 -4.315 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.642 7.154 -2.638 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.185 7.139 -4.330 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.583 9.350 -4.904 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.865 7.284 -1.137 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.203 9.899 -4.444 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.487 7.825 -0.676 1.00 0.00 H new ATOM 0 HH TYR A 59 0.298 10.090 -2.371 1.00 0.00 H new ATOM 943 N ASN A 60 -8.632 8.332 -3.970 1.00 0.00 N ATOM 944 CA ASN A 60 -9.876 7.844 -4.538 1.00 0.00 C ATOM 945 C ASN A 60 -9.661 6.453 -5.135 1.00 0.00 C ATOM 946 O ASN A 60 -9.715 6.248 -6.352 1.00 0.00 O ATOM 947 CB ASN A 60 -10.489 8.862 -5.504 1.00 0.00 C ATOM 948 CG ASN A 60 -11.862 8.417 -5.890 1.00 0.00 C ATOM 949 OD1 ASN A 60 -12.762 8.281 -5.067 1.00 0.00 O ATOM 950 ND2 ASN A 60 -11.997 8.077 -7.151 1.00 0.00 N ATOM 0 H ASN A 60 -8.766 8.687 -3.023 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.622 7.730 -3.751 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.532 9.845 -5.035 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.864 8.960 -6.391 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.877 7.682 -7.481 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.221 8.208 -7.800 1.00 0.00 H new ATOM 957 N ILE A 61 -9.338 5.504 -4.260 1.00 0.00 N ATOM 958 CA ILE A 61 -9.078 4.106 -4.587 1.00 0.00 C ATOM 959 C ILE A 61 -10.294 3.325 -4.104 1.00 0.00 C ATOM 960 O ILE A 61 -10.705 3.463 -2.948 1.00 0.00 O ATOM 961 CB ILE A 61 -7.762 3.627 -3.929 1.00 0.00 C ATOM 962 CG1 ILE A 61 -6.561 4.450 -4.434 1.00 0.00 C ATOM 963 CG2 ILE A 61 -7.534 2.124 -4.178 1.00 0.00 C ATOM 964 CD1 ILE A 61 -5.265 4.165 -3.668 1.00 0.00 C ATOM 0 H ILE A 61 -9.247 5.697 -3.263 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.939 3.955 -5.658 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.852 3.782 -2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.404 4.238 -5.492 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.797 5.511 -4.353 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.602 1.814 -3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.362 1.555 -3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.476 1.938 -5.250 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.460 4.777 -4.074 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.406 4.403 -2.614 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.006 3.111 -3.770 1.00 0.00 H new ATOM 976 N GLN A 62 -10.886 2.535 -4.996 1.00 0.00 N ATOM 977 CA GLN A 62 -12.058 1.723 -4.707 1.00 0.00 C ATOM 978 C GLN A 62 -11.629 0.405 -4.043 1.00 0.00 C ATOM 979 O GLN A 62 -10.431 0.116 -3.898 1.00 0.00 O ATOM 980 CB GLN A 62 -12.837 1.453 -6.007 1.00 0.00 C ATOM 981 CG GLN A 62 -13.414 2.698 -6.704 1.00 0.00 C ATOM 982 CD GLN A 62 -12.337 3.580 -7.335 1.00 0.00 C ATOM 983 OE1 GLN A 62 -11.634 3.170 -8.254 1.00 0.00 O ATOM 984 NE2 GLN A 62 -12.131 4.776 -6.817 1.00 0.00 N ATOM 0 H GLN A 62 -10.556 2.442 -5.957 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.711 2.259 -4.018 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -12.176 0.940 -6.706 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.657 0.770 -5.784 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -14.117 2.383 -7.476 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.978 3.285 -5.979 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.720 5.109 -6.054 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.383 5.367 -7.180 1.00 0.00 H new ATOM 993 N LYS A 63 -12.600 -0.374 -3.564 1.00 0.00 N ATOM 994 CA LYS A 63 -12.341 -1.663 -2.930 1.00 0.00 C ATOM 995 C LYS A 63 -11.873 -2.667 -3.982 1.00 0.00 C ATOM 996 O LYS A 63 -11.974 -2.420 -5.183 1.00 0.00 O ATOM 997 CB LYS A 63 -13.591 -2.165 -2.187 1.00 0.00 C ATOM 998 CG LYS A 63 -14.815 -2.422 -3.085 1.00 0.00 C ATOM 999 CD LYS A 63 -15.926 -3.075 -2.258 1.00 0.00 C ATOM 1000 CE LYS A 63 -17.205 -3.264 -3.074 1.00 0.00 C ATOM 1001 NZ LYS A 63 -18.252 -3.919 -2.265 1.00 0.00 N ATOM 0 H LYS A 63 -13.589 -0.127 -3.606 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.550 -1.547 -2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.340 -3.089 -1.665 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.863 -1.433 -1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.169 -1.484 -3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.539 -3.069 -3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.584 -4.042 -1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.140 -2.458 -1.385 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.563 -2.297 -3.426 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.992 -3.866 -3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.111 -4.037 -2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.915 -4.851 -1.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.468 -3.331 -1.435 1.00 0.00 H new ATOM 1015 N GLU A 64 -11.389 -3.811 -3.513 1.00 0.00 N ATOM 1016 CA GLU A 64 -10.886 -4.949 -4.273 1.00 0.00 C ATOM 1017 C GLU A 64 -9.901 -4.563 -5.383 1.00 0.00 C ATOM 1018 O GLU A 64 -9.861 -5.200 -6.440 1.00 0.00 O ATOM 1019 CB GLU A 64 -12.066 -5.824 -4.720 1.00 0.00 C ATOM 1020 CG GLU A 64 -12.684 -6.538 -3.512 1.00 0.00 C ATOM 1021 CD GLU A 64 -14.087 -7.034 -3.829 1.00 0.00 C ATOM 1022 OE1 GLU A 64 -15.066 -6.385 -3.392 1.00 0.00 O ATOM 1023 OE2 GLU A 64 -14.247 -8.088 -4.480 1.00 0.00 O ATOM 0 H GLU A 64 -11.334 -3.980 -2.509 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.263 -5.560 -3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.819 -5.208 -5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.727 -6.558 -5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.054 -7.379 -3.221 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.719 -5.857 -2.662 1.00 0.00 H new ATOM 1030 N SER A 65 -9.141 -3.488 -5.167 1.00 0.00 N ATOM 1031 CA SER A 65 -8.125 -3.013 -6.094 1.00 0.00 C ATOM 1032 C SER A 65 -6.941 -4.005 -6.021 1.00 0.00 C ATOM 1033 O SER A 65 -7.006 -4.960 -5.237 1.00 0.00 O ATOM 1034 CB SER A 65 -7.802 -1.548 -5.774 1.00 0.00 C ATOM 1035 OG SER A 65 -8.033 -1.195 -4.420 1.00 0.00 O ATOM 0 H SER A 65 -9.220 -2.916 -4.326 1.00 0.00 H new ATOM 0 HA SER A 65 -8.449 -2.998 -7.135 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.757 -1.354 -6.017 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.404 -0.904 -6.416 1.00 0.00 H new ATOM 0 HG SER A 65 -8.905 -0.754 -4.341 1.00 0.00 H new ATOM 1041 N THR A 66 -5.882 -3.852 -6.827 1.00 0.00 N ATOM 1042 CA THR A 66 -4.779 -4.811 -6.795 1.00 0.00 C ATOM 1043 C THR A 66 -3.553 -3.952 -6.934 1.00 0.00 C ATOM 1044 O THR A 66 -3.115 -3.607 -8.035 1.00 0.00 O ATOM 1045 CB THR A 66 -4.935 -5.920 -7.857 1.00 0.00 C ATOM 1046 OG1 THR A 66 -6.102 -6.679 -7.598 1.00 0.00 O ATOM 1047 CG2 THR A 66 -3.755 -6.900 -7.819 1.00 0.00 C ATOM 0 H THR A 66 -5.769 -3.089 -7.495 1.00 0.00 H new ATOM 0 HA THR A 66 -4.733 -5.394 -5.875 1.00 0.00 H new ATOM 0 HB THR A 66 -4.985 -5.426 -8.827 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.194 -7.379 -8.277 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.896 -7.669 -8.579 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.828 -6.361 -8.015 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.702 -7.368 -6.836 1.00 0.00 H new ATOM 1055 N LEU A 67 -3.074 -3.537 -5.772 1.00 0.00 N ATOM 1056 CA LEU A 67 -1.933 -2.676 -5.645 1.00 0.00 C ATOM 1057 C LEU A 67 -0.667 -3.501 -5.813 1.00 0.00 C ATOM 1058 O LEU A 67 -0.663 -4.702 -5.556 1.00 0.00 O ATOM 1059 CB LEU A 67 -1.956 -2.001 -4.257 1.00 0.00 C ATOM 1060 CG LEU A 67 -2.974 -0.855 -4.070 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -4.432 -1.230 -4.368 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -2.921 -0.350 -2.624 1.00 0.00 C ATOM 0 H LEU A 67 -3.485 -3.802 -4.877 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.958 -1.903 -6.413 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.161 -2.766 -3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.960 -1.611 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.678 -0.097 -4.795 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.071 -0.361 -4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.519 -1.559 -5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.743 -2.036 -3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.640 0.459 -2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.166 -1.166 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.919 0.017 -2.403 1.00 0.00 H new ATOM 1074 N HIS A 68 0.417 -2.870 -6.238 1.00 0.00 N ATOM 1075 CA HIS A 68 1.715 -3.509 -6.426 1.00 0.00 C ATOM 1076 C HIS A 68 2.696 -2.916 -5.421 1.00 0.00 C ATOM 1077 O HIS A 68 2.477 -1.805 -4.937 1.00 0.00 O ATOM 1078 CB HIS A 68 2.188 -3.303 -7.871 1.00 0.00 C ATOM 1079 CG HIS A 68 1.675 -4.330 -8.856 1.00 0.00 C ATOM 1080 ND1 HIS A 68 2.239 -4.592 -10.085 1.00 0.00 N ATOM 1081 CD2 HIS A 68 0.601 -5.168 -8.702 1.00 0.00 C ATOM 1082 CE1 HIS A 68 1.537 -5.596 -10.644 1.00 0.00 C ATOM 1083 NE2 HIS A 68 0.526 -5.968 -9.841 1.00 0.00 N ATOM 0 H HIS A 68 0.421 -1.876 -6.468 1.00 0.00 H new ATOM 0 HA HIS A 68 1.646 -4.583 -6.254 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.876 -2.313 -8.203 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.278 -3.316 -7.888 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.066 -5.202 -7.853 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.756 -6.040 -11.604 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.164 -6.696 -10.029 1.00 0.00 H new ATOM 1090 N LEU A 69 3.776 -3.637 -5.119 1.00 0.00 N ATOM 1091 CA LEU A 69 4.820 -3.224 -4.191 1.00 0.00 C ATOM 1092 C LEU A 69 6.128 -3.102 -4.948 1.00 0.00 C ATOM 1093 O LEU A 69 6.523 -4.042 -5.636 1.00 0.00 O ATOM 1094 CB LEU A 69 4.983 -4.233 -3.040 1.00 0.00 C ATOM 1095 CG LEU A 69 3.954 -4.066 -1.916 1.00 0.00 C ATOM 1096 CD1 LEU A 69 4.130 -5.163 -0.863 1.00 0.00 C ATOM 1097 CD2 LEU A 69 4.099 -2.721 -1.198 1.00 0.00 C ATOM 0 H LEU A 69 3.951 -4.554 -5.529 1.00 0.00 H new ATOM 0 HA LEU A 69 4.539 -2.265 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.906 -5.243 -3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.984 -4.132 -2.621 1.00 0.00 H new ATOM 0 HG LEU A 69 2.973 -4.125 -2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.392 -5.030 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.992 -6.139 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.132 -5.102 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.350 -2.647 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.095 -2.648 -0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.956 -1.910 -1.912 1.00 0.00 H new ATOM 1109 N VAL A 70 6.777 -1.946 -4.847 1.00 0.00 N ATOM 1110 CA VAL A 70 8.053 -1.653 -5.485 1.00 0.00 C ATOM 1111 C VAL A 70 8.913 -0.900 -4.482 1.00 0.00 C ATOM 1112 O VAL A 70 8.438 0.008 -3.794 1.00 0.00 O ATOM 1113 CB VAL A 70 7.869 -0.879 -6.800 1.00 0.00 C ATOM 1114 CG1 VAL A 70 7.304 -1.809 -7.877 1.00 0.00 C ATOM 1115 CG2 VAL A 70 6.931 0.322 -6.660 1.00 0.00 C ATOM 0 H VAL A 70 6.416 -1.163 -4.301 1.00 0.00 H new ATOM 0 HA VAL A 70 8.553 -2.580 -5.766 1.00 0.00 H new ATOM 0 HB VAL A 70 8.855 -0.506 -7.078 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.176 -1.254 -8.806 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.994 -2.637 -8.041 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.340 -2.199 -7.552 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.841 0.828 -7.621 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.948 -0.020 -6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.335 1.015 -5.922 1.00 0.00 H new ATOM 1125 N LEU A 71 10.185 -1.275 -4.391 1.00 0.00 N ATOM 1126 CA LEU A 71 11.115 -0.661 -3.463 1.00 0.00 C ATOM 1127 C LEU A 71 11.728 0.633 -4.005 1.00 0.00 C ATOM 1128 O LEU A 71 11.703 0.903 -5.208 1.00 0.00 O ATOM 1129 CB LEU A 71 12.135 -1.706 -2.979 1.00 0.00 C ATOM 1130 CG LEU A 71 12.898 -2.548 -4.017 1.00 0.00 C ATOM 1131 CD1 LEU A 71 13.906 -1.717 -4.793 1.00 0.00 C ATOM 1132 CD2 LEU A 71 13.662 -3.664 -3.296 1.00 0.00 C ATOM 0 H LEU A 71 10.596 -2.014 -4.961 1.00 0.00 H new ATOM 0 HA LEU A 71 10.567 -0.327 -2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.875 -1.185 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.609 -2.396 -2.319 1.00 0.00 H new ATOM 0 HG LEU A 71 12.164 -2.951 -4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.422 -2.351 -5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.388 -0.915 -5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.632 -1.288 -4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.205 -4.264 -4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.368 -3.225 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.958 -4.298 -2.757 1.00 0.00 H new ATOM 1144 N ARG A 72 12.217 1.471 -3.084 1.00 0.00 N ATOM 1145 CA ARG A 72 12.872 2.751 -3.268 1.00 0.00 C ATOM 1146 C ARG A 72 13.450 3.114 -1.915 1.00 0.00 C ATOM 1147 O ARG A 72 12.711 3.344 -0.959 1.00 0.00 O ATOM 1148 CB ARG A 72 11.925 3.843 -3.753 1.00 0.00 C ATOM 1149 CG ARG A 72 12.717 4.931 -4.499 1.00 0.00 C ATOM 1150 CD ARG A 72 13.044 6.165 -3.651 1.00 0.00 C ATOM 1151 NE ARG A 72 13.697 7.186 -4.485 1.00 0.00 N ATOM 1152 CZ ARG A 72 13.948 8.461 -4.167 1.00 0.00 C ATOM 1153 NH1 ARG A 72 13.750 8.924 -2.939 1.00 0.00 N ATOM 1154 NH2 ARG A 72 14.400 9.285 -5.104 1.00 0.00 N ATOM 0 H ARG A 72 12.152 1.236 -2.094 1.00 0.00 H new ATOM 0 HA ARG A 72 13.635 2.671 -4.042 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.170 3.415 -4.412 1.00 0.00 H new ATOM 0 HB3 ARG A 72 11.398 4.281 -2.906 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.648 4.499 -4.866 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.146 5.246 -5.372 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.131 6.569 -3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.697 5.886 -2.824 1.00 0.00 H new ATOM 0 HE ARG A 72 13.993 6.887 -5.414 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.398 8.303 -2.210 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.950 9.901 -2.724 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.552 8.944 -6.053 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.595 10.260 -4.875 1.00 0.00 H new ATOM 1168 N LEU A 73 14.762 3.057 -1.843 1.00 0.00 N ATOM 1169 CA LEU A 73 15.588 3.330 -0.687 1.00 0.00 C ATOM 1170 C LEU A 73 15.730 4.822 -0.418 1.00 0.00 C ATOM 1171 O LEU A 73 15.338 5.659 -1.233 1.00 0.00 O ATOM 1172 CB LEU A 73 16.964 2.731 -1.023 1.00 0.00 C ATOM 1173 CG LEU A 73 17.375 1.622 -0.056 1.00 0.00 C ATOM 1174 CD1 LEU A 73 18.314 0.669 -0.789 1.00 0.00 C ATOM 1175 CD2 LEU A 73 18.013 2.207 1.197 1.00 0.00 C ATOM 0 H LEU A 73 15.323 2.798 -2.655 1.00 0.00 H new ATOM 0 HA LEU A 73 15.143 2.901 0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.945 2.334 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.715 3.521 -1.004 1.00 0.00 H new ATOM 0 HG LEU A 73 16.498 1.066 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 73 18.619 -0.131 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.800 0.242 -1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 73 19.195 1.215 -1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 73 18.298 1.399 1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.899 2.779 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 73 17.299 2.862 1.697 1.00 0.00 H new ATOM 1187 N ARG A 74 16.372 5.147 0.700 1.00 0.00 N ATOM 1188 CA ARG A 74 16.653 6.508 1.136 1.00 0.00 C ATOM 1189 C ARG A 74 17.641 7.206 0.189 1.00 0.00 C ATOM 1190 O ARG A 74 18.058 6.652 -0.830 1.00 0.00 O ATOM 1191 CB ARG A 74 17.108 6.478 2.604 1.00 0.00 C ATOM 1192 CG ARG A 74 18.451 5.767 2.796 1.00 0.00 C ATOM 1193 CD ARG A 74 19.089 6.144 4.129 1.00 0.00 C ATOM 1194 NE ARG A 74 20.381 5.466 4.238 1.00 0.00 N ATOM 1195 CZ ARG A 74 20.948 5.012 5.350 1.00 0.00 C ATOM 1196 NH1 ARG A 74 20.570 5.489 6.530 1.00 0.00 N ATOM 1197 NH2 ARG A 74 21.886 4.083 5.267 1.00 0.00 N ATOM 0 H ARG A 74 16.723 4.443 1.350 1.00 0.00 H new ATOM 0 HA ARG A 74 15.748 7.114 1.088 1.00 0.00 H new ATOM 0 HB2 ARG A 74 17.187 7.500 2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 74 16.348 5.978 3.205 1.00 0.00 H new ATOM 0 HG2 ARG A 74 18.304 4.688 2.753 1.00 0.00 H new ATOM 0 HG3 ARG A 74 19.124 6.030 1.980 1.00 0.00 H new ATOM 0 HD2 ARG A 74 19.222 7.224 4.192 1.00 0.00 H new ATOM 0 HD3 ARG A 74 18.439 5.854 4.955 1.00 0.00 H new ATOM 0 HE ARG A 74 20.900 5.328 3.371 1.00 0.00 H new ATOM 0 HH11 ARG A 74 19.844 6.204 6.582 1.00 0.00 H new ATOM 0 HH12 ARG A 74 21.005 5.141 7.384 1.00 0.00 H new ATOM 0 HH21 ARG A 74 22.167 3.722 4.355 1.00 0.00 H new ATOM 0 HH22 ARG A 74 22.328 3.727 6.115 1.00 0.00 H new ATOM 1211 N GLY A 75 18.042 8.433 0.514 1.00 0.00 N ATOM 1212 CA GLY A 75 18.956 9.206 -0.318 1.00 0.00 C ATOM 1213 C GLY A 75 20.412 8.740 -0.329 1.00 0.00 C ATOM 1214 O GLY A 75 21.218 9.342 -1.041 1.00 0.00 O ATOM 0 H GLY A 75 17.742 8.917 1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.583 9.192 -1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 75 18.930 10.243 0.016 1.00 0.00 H new ATOM 1218 N GLY A 76 20.794 7.722 0.441 1.00 0.00 N ATOM 1219 CA GLY A 76 22.162 7.224 0.488 1.00 0.00 C ATOM 1220 C GLY A 76 22.130 5.749 0.778 1.00 0.00 C ATOM 1221 O GLY A 76 22.234 4.958 -0.180 1.00 0.00 O ATOM 0 H GLY A 76 20.154 7.217 1.054 1.00 0.00 H new ATOM 0 HA2 GLY A 76 22.665 7.411 -0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 76 22.728 7.748 1.258 1.00 0.00 H new TER 1225 GLY A 76