USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 630 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 -51:sc=0.000396 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.739 K(o=0.74,f=-5.3!) USER MOD Set 2.1: A 7 THR OG1 : rot -71:sc= 0.621 USER MOD Set 2.2: A 9 THR OG1 : rot -57:sc= 0.764 USER MOD Single : A 1 MET CE :methyl -129:sc= -0.0879 (180deg=-2.61!) USER MOD Single : A 1 MET N :NH3+ 145:sc= 1.23 (180deg=0.604) USER MOD Single : A 2 GLN : amide:sc= -0.0166 X(o=-0.017,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 -103:sc= 0.0842 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 144:sc= 0.64 (180deg=0.117) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00264 X(o=-0.0026,f=0) USER MOD Single : A 41 GLN : amide:sc= -8.9! C(o=-8.9!,f=-14!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 55 THR OG1 : rot -71:sc= 0.801 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 31:sc= 0.196 USER MOD Single : A 60 ASN : amide:sc= -2! C(o=-2!,f=-2.5!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 63 LYS NZ :NH3+ -140:sc= -0.394 (180deg=-1.67!) USER MOD Single : A 65 SER OG : rot 88:sc=0.000751 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.328 -19.901 -2.086 1.00 0.00 N ATOM 2 CA MET A 1 3.105 -19.389 -3.245 1.00 0.00 C ATOM 3 C MET A 1 3.831 -18.094 -2.893 1.00 0.00 C ATOM 4 O MET A 1 3.455 -17.396 -1.953 1.00 0.00 O ATOM 5 CB MET A 1 2.143 -19.154 -4.412 1.00 0.00 C ATOM 6 CG MET A 1 1.094 -18.091 -4.130 1.00 0.00 C ATOM 7 SD MET A 1 0.429 -17.356 -5.636 1.00 0.00 S ATOM 8 CE MET A 1 -1.060 -16.583 -5.007 1.00 0.00 C ATOM 0 H1 MET A 1 1.452 -20.348 -2.425 1.00 0.00 H new ATOM 0 H2 MET A 1 2.897 -20.602 -1.569 1.00 0.00 H new ATOM 0 H3 MET A 1 2.091 -19.112 -1.451 1.00 0.00 H new ATOM 0 HA MET A 1 3.860 -20.124 -3.522 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.717 -18.862 -5.292 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.642 -20.092 -4.654 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.280 -18.533 -3.556 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.533 -17.308 -3.511 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.911 -16.881 -5.619 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.226 -16.898 -3.977 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.950 -15.499 -5.042 1.00 0.00 H new ATOM 20 N GLN A 2 4.873 -17.781 -3.656 1.00 0.00 N ATOM 21 CA GLN A 2 5.653 -16.571 -3.425 1.00 0.00 C ATOM 22 C GLN A 2 5.040 -15.380 -4.155 1.00 0.00 C ATOM 23 O GLN A 2 4.266 -15.548 -5.097 1.00 0.00 O ATOM 24 CB GLN A 2 7.098 -16.776 -3.882 1.00 0.00 C ATOM 25 CG GLN A 2 8.036 -17.200 -2.764 1.00 0.00 C ATOM 26 CD GLN A 2 7.744 -18.600 -2.258 1.00 0.00 C ATOM 27 OE1 GLN A 2 7.990 -19.587 -2.952 1.00 0.00 O ATOM 28 NE2 GLN A 2 7.216 -18.691 -1.044 1.00 0.00 N ATOM 0 H GLN A 2 5.197 -18.348 -4.439 1.00 0.00 H new ATOM 0 HA GLN A 2 5.644 -16.362 -2.355 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.118 -17.531 -4.668 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.466 -15.849 -4.322 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.065 -17.154 -3.121 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.953 -16.494 -1.938 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.029 -17.846 -0.505 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.997 -19.606 -0.650 1.00 0.00 H new ATOM 37 N LEU A 3 5.393 -14.178 -3.713 1.00 0.00 N ATOM 38 CA LEU A 3 4.880 -12.957 -4.323 1.00 0.00 C ATOM 39 C LEU A 3 5.915 -11.838 -4.249 1.00 0.00 C ATOM 40 O LEU A 3 6.733 -11.797 -3.330 1.00 0.00 O ATOM 41 CB LEU A 3 3.588 -12.518 -3.631 1.00 0.00 C ATOM 42 CG LEU A 3 2.465 -13.557 -3.638 1.00 0.00 C ATOM 43 CD1 LEU A 3 1.379 -13.174 -2.645 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.884 -13.704 -5.037 1.00 0.00 C ATOM 0 H LEU A 3 6.033 -14.023 -2.934 1.00 0.00 H new ATOM 0 HA LEU A 3 4.668 -13.166 -5.372 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.817 -12.260 -2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.226 -11.610 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 3 2.882 -14.518 -3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.588 -13.924 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.805 -13.120 -1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.964 -12.203 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.087 -14.447 -5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.482 -12.746 -5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.667 -14.025 -5.724 1.00 0.00 H new ATOM 56 N PHE A 4 5.874 -10.936 -5.223 1.00 0.00 N ATOM 57 CA PHE A 4 6.811 -9.818 -5.267 1.00 0.00 C ATOM 58 C PHE A 4 6.076 -8.486 -5.140 1.00 0.00 C ATOM 59 O PHE A 4 5.017 -8.290 -5.736 1.00 0.00 O ATOM 60 CB PHE A 4 7.614 -9.850 -6.568 1.00 0.00 C ATOM 61 CG PHE A 4 8.605 -10.978 -6.632 1.00 0.00 C ATOM 62 CD1 PHE A 4 8.179 -12.299 -6.543 1.00 0.00 C ATOM 63 CD2 PHE A 4 9.963 -10.720 -6.782 1.00 0.00 C ATOM 64 CE1 PHE A 4 9.090 -13.342 -6.602 1.00 0.00 C ATOM 65 CE2 PHE A 4 10.878 -11.759 -6.842 1.00 0.00 C ATOM 66 CZ PHE A 4 10.441 -13.072 -6.751 1.00 0.00 C ATOM 0 H PHE A 4 5.204 -10.956 -5.992 1.00 0.00 H new ATOM 0 HA PHE A 4 7.495 -9.916 -4.424 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.925 -9.933 -7.409 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.144 -8.904 -6.682 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.127 -12.514 -6.427 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.308 -9.699 -6.852 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.747 -14.364 -6.532 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.930 -11.546 -6.960 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.153 -13.883 -6.796 1.00 0.00 H new ATOM 76 N VAL A 5 6.646 -7.574 -4.359 1.00 0.00 N ATOM 77 CA VAL A 5 6.047 -6.261 -4.154 1.00 0.00 C ATOM 78 C VAL A 5 7.068 -5.150 -4.368 1.00 0.00 C ATOM 79 O VAL A 5 8.069 -5.067 -3.656 1.00 0.00 O ATOM 80 CB VAL A 5 5.452 -6.130 -2.739 1.00 0.00 C ATOM 81 CG1 VAL A 5 5.051 -4.691 -2.459 1.00 0.00 C ATOM 82 CG2 VAL A 5 4.265 -7.065 -2.570 1.00 0.00 C ATOM 0 H VAL A 5 7.522 -7.721 -3.858 1.00 0.00 H new ATOM 0 HA VAL A 5 5.247 -6.161 -4.888 1.00 0.00 H new ATOM 0 HB VAL A 5 6.216 -6.416 -2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.633 -4.619 -1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.928 -4.048 -2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.304 -4.373 -3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.858 -6.958 -1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.497 -6.813 -3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.588 -8.095 -2.723 1.00 0.00 H new ATOM 92 N LYS A 6 6.810 -4.298 -5.355 1.00 0.00 N ATOM 93 CA LYS A 6 7.707 -3.190 -5.664 1.00 0.00 C ATOM 94 C LYS A 6 6.965 -1.858 -5.610 1.00 0.00 C ATOM 95 O LYS A 6 5.777 -1.786 -5.925 1.00 0.00 O ATOM 96 CB LYS A 6 8.330 -3.383 -7.047 1.00 0.00 C ATOM 97 CG LYS A 6 7.311 -3.417 -8.174 1.00 0.00 C ATOM 98 CD LYS A 6 7.421 -2.189 -9.062 1.00 0.00 C ATOM 99 CE LYS A 6 8.355 -2.435 -10.236 1.00 0.00 C ATOM 100 NZ LYS A 6 9.450 -1.427 -10.294 1.00 0.00 N ATOM 0 H LYS A 6 5.987 -4.354 -5.955 1.00 0.00 H new ATOM 0 HA LYS A 6 8.498 -3.175 -4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.038 -2.576 -7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.898 -4.313 -7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.460 -4.315 -8.773 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.306 -3.476 -7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.433 -1.916 -9.432 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.786 -1.346 -8.476 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.784 -3.434 -10.155 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.786 -2.407 -11.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.065 -1.629 -11.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.041 -0.476 -10.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.009 -1.471 -9.418 1.00 0.00 H new ATOM 114 N THR A 7 7.672 -0.806 -5.209 1.00 0.00 N ATOM 115 CA THR A 7 7.077 0.522 -5.114 1.00 0.00 C ATOM 116 C THR A 7 7.523 1.403 -6.276 1.00 0.00 C ATOM 117 O THR A 7 7.945 0.906 -7.320 1.00 0.00 O ATOM 118 CB THR A 7 7.456 1.179 -3.786 1.00 0.00 C ATOM 119 OG1 THR A 7 8.693 1.859 -3.897 1.00 0.00 O ATOM 120 CG2 THR A 7 7.573 0.194 -2.643 1.00 0.00 C ATOM 0 H THR A 7 8.656 -0.847 -4.945 1.00 0.00 H new ATOM 0 HA THR A 7 5.994 0.412 -5.161 1.00 0.00 H new ATOM 0 HB THR A 7 6.644 1.872 -3.565 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.420 1.206 -3.973 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.844 0.726 -1.731 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.618 -0.311 -2.498 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.341 -0.543 -2.875 1.00 0.00 H new ATOM 128 N LEU A 8 7.424 2.715 -6.088 1.00 0.00 N ATOM 129 CA LEU A 8 7.815 3.668 -7.121 1.00 0.00 C ATOM 130 C LEU A 8 9.288 4.043 -6.987 1.00 0.00 C ATOM 131 O LEU A 8 9.680 5.173 -7.274 1.00 0.00 O ATOM 132 CB LEU A 8 6.949 4.925 -7.039 1.00 0.00 C ATOM 133 CG LEU A 8 5.467 4.670 -6.758 1.00 0.00 C ATOM 134 CD1 LEU A 8 4.661 5.945 -6.951 1.00 0.00 C ATOM 135 CD2 LEU A 8 4.939 3.560 -7.653 1.00 0.00 C ATOM 0 H LEU A 8 7.076 3.143 -5.230 1.00 0.00 H new ATOM 0 HA LEU A 8 7.666 3.194 -8.091 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.346 5.571 -6.256 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.037 5.471 -7.978 1.00 0.00 H new ATOM 0 HG LEU A 8 5.361 4.353 -5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.609 5.745 -6.747 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.024 6.712 -6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.771 6.293 -7.978 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.883 3.392 -7.440 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.057 3.848 -8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.498 2.643 -7.464 1.00 0.00 H new ATOM 147 N THR A 9 10.100 3.085 -6.550 1.00 0.00 N ATOM 148 CA THR A 9 11.530 3.316 -6.381 1.00 0.00 C ATOM 149 C THR A 9 12.338 2.142 -6.922 1.00 0.00 C ATOM 150 O THR A 9 13.333 2.331 -7.622 1.00 0.00 O ATOM 151 CB THR A 9 11.859 3.539 -4.903 1.00 0.00 C ATOM 152 OG1 THR A 9 11.055 2.714 -4.080 1.00 0.00 O ATOM 153 CG2 THR A 9 11.658 4.970 -4.455 1.00 0.00 C ATOM 0 H THR A 9 9.793 2.143 -6.307 1.00 0.00 H new ATOM 0 HA THR A 9 11.799 4.209 -6.946 1.00 0.00 H new ATOM 0 HB THR A 9 12.915 3.288 -4.801 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.109 2.893 -4.262 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.909 5.059 -3.398 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.303 5.628 -5.038 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.617 5.256 -4.606 1.00 0.00 H new ATOM 161 N GLY A 10 11.905 0.929 -6.594 1.00 0.00 N ATOM 162 CA GLY A 10 12.600 -0.257 -7.057 1.00 0.00 C ATOM 163 C GLY A 10 12.664 -1.342 -6.001 1.00 0.00 C ATOM 164 O GLY A 10 12.551 -2.527 -6.313 1.00 0.00 O ATOM 0 H GLY A 10 11.085 0.747 -6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.098 -0.646 -7.943 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.612 0.013 -7.357 1.00 0.00 H new ATOM 168 N LYS A 11 12.847 -0.937 -4.748 1.00 0.00 N ATOM 169 CA LYS A 11 12.926 -1.885 -3.644 1.00 0.00 C ATOM 170 C LYS A 11 11.864 -2.971 -3.782 1.00 0.00 C ATOM 171 O LYS A 11 10.678 -2.726 -3.560 1.00 0.00 O ATOM 172 CB LYS A 11 12.761 -1.162 -2.307 1.00 0.00 C ATOM 173 CG LYS A 11 12.513 -2.098 -1.136 1.00 0.00 C ATOM 174 CD LYS A 11 12.565 -1.360 0.191 1.00 0.00 C ATOM 175 CE LYS A 11 13.997 -1.126 0.642 1.00 0.00 C ATOM 176 NZ LYS A 11 14.070 -0.727 2.076 1.00 0.00 N ATOM 0 H LYS A 11 12.943 0.040 -4.473 1.00 0.00 H new ATOM 0 HA LYS A 11 13.909 -2.356 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.657 -0.574 -2.108 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.930 -0.460 -2.383 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.539 -2.574 -1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.259 -2.893 -1.140 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.051 -0.403 0.097 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.033 -1.935 0.949 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.579 -2.035 0.488 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.449 -0.349 0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.063 -0.577 2.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.536 0.154 2.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.662 -1.479 2.667 1.00 0.00 H new ATOM 190 N THR A 12 12.298 -4.173 -4.151 1.00 0.00 N ATOM 191 CA THR A 12 11.386 -5.297 -4.319 1.00 0.00 C ATOM 192 C THR A 12 11.306 -6.130 -3.044 1.00 0.00 C ATOM 193 O THR A 12 12.315 -6.364 -2.379 1.00 0.00 O ATOM 194 CB THR A 12 11.835 -6.175 -5.488 1.00 0.00 C ATOM 195 OG1 THR A 12 12.485 -5.398 -6.478 1.00 0.00 O ATOM 196 CG2 THR A 12 10.694 -6.910 -6.157 1.00 0.00 C ATOM 0 H THR A 12 13.276 -4.392 -4.339 1.00 0.00 H new ATOM 0 HA THR A 12 10.394 -4.898 -4.533 1.00 0.00 H new ATOM 0 HB THR A 12 12.514 -6.909 -5.054 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.766 -5.978 -7.217 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.082 -7.514 -6.977 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.202 -7.557 -5.431 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.975 -6.189 -6.546 1.00 0.00 H new ATOM 204 N LEU A 13 10.100 -6.577 -2.710 1.00 0.00 N ATOM 205 CA LEU A 13 9.887 -7.386 -1.516 1.00 0.00 C ATOM 206 C LEU A 13 9.257 -8.727 -1.874 1.00 0.00 C ATOM 207 O LEU A 13 8.217 -8.780 -2.530 1.00 0.00 O ATOM 208 CB LEU A 13 8.996 -6.641 -0.519 1.00 0.00 C ATOM 209 CG LEU A 13 9.719 -6.097 0.716 1.00 0.00 C ATOM 210 CD1 LEU A 13 9.660 -7.104 1.854 1.00 0.00 C ATOM 211 CD2 LEU A 13 11.161 -5.748 0.382 1.00 0.00 C ATOM 0 H LEU A 13 9.255 -6.392 -3.250 1.00 0.00 H new ATOM 0 HA LEU A 13 10.858 -7.571 -1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.515 -5.810 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.203 -7.313 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 13 9.214 -5.186 1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.179 -6.701 2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.619 -7.302 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.139 -8.032 1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.658 -5.363 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.680 -6.641 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.180 -4.989 -0.400 1.00 0.00 H new ATOM 223 N THR A 14 9.894 -9.810 -1.443 1.00 0.00 N ATOM 224 CA THR A 14 9.395 -11.152 -1.721 1.00 0.00 C ATOM 225 C THR A 14 8.837 -11.799 -0.458 1.00 0.00 C ATOM 226 O THR A 14 9.587 -12.172 0.444 1.00 0.00 O ATOM 227 CB THR A 14 10.508 -12.022 -2.305 1.00 0.00 C ATOM 228 OG1 THR A 14 11.134 -11.371 -3.397 1.00 0.00 O ATOM 229 CG2 THR A 14 10.019 -13.369 -2.793 1.00 0.00 C ATOM 0 H THR A 14 10.757 -9.785 -0.900 1.00 0.00 H new ATOM 0 HA THR A 14 8.589 -11.068 -2.450 1.00 0.00 H new ATOM 0 HB THR A 14 11.210 -12.182 -1.486 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.820 -11.766 -4.237 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.858 -13.937 -3.195 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.575 -13.918 -1.962 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.272 -13.224 -3.573 1.00 0.00 H new ATOM 237 N VAL A 15 7.517 -11.929 -0.401 1.00 0.00 N ATOM 238 CA VAL A 15 6.856 -12.532 0.751 1.00 0.00 C ATOM 239 C VAL A 15 6.160 -13.832 0.365 1.00 0.00 C ATOM 240 O VAL A 15 5.857 -14.062 -0.806 1.00 0.00 O ATOM 241 CB VAL A 15 5.823 -11.573 1.370 1.00 0.00 C ATOM 242 CG1 VAL A 15 6.470 -10.709 2.441 1.00 0.00 C ATOM 243 CG2 VAL A 15 5.182 -10.711 0.294 1.00 0.00 C ATOM 0 H VAL A 15 6.882 -11.625 -1.139 1.00 0.00 H new ATOM 0 HA VAL A 15 7.631 -12.743 1.488 1.00 0.00 H new ATOM 0 HB VAL A 15 5.040 -12.167 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.724 -10.038 2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.875 -11.346 3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.275 -10.123 1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.455 -10.040 0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.951 -10.125 -0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.680 -11.350 -0.433 1.00 0.00 H new ATOM 253 N GLU A 16 5.910 -14.680 1.357 1.00 0.00 N ATOM 254 CA GLU A 16 5.249 -15.959 1.120 1.00 0.00 C ATOM 255 C GLU A 16 3.801 -15.920 1.596 1.00 0.00 C ATOM 256 O GLU A 16 3.519 -15.524 2.727 1.00 0.00 O ATOM 257 CB GLU A 16 6.003 -17.084 1.831 1.00 0.00 C ATOM 258 CG GLU A 16 7.499 -16.838 1.944 1.00 0.00 C ATOM 259 CD GLU A 16 7.900 -16.309 3.308 1.00 0.00 C ATOM 260 OE1 GLU A 16 7.283 -16.725 4.311 1.00 0.00 O ATOM 261 OE2 GLU A 16 8.830 -15.478 3.372 1.00 0.00 O ATOM 0 H GLU A 16 6.155 -14.505 2.332 1.00 0.00 H new ATOM 0 HA GLU A 16 5.253 -16.149 0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.588 -17.213 2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.836 -18.018 1.294 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.033 -17.768 1.747 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.806 -16.126 1.177 1.00 0.00 H new ATOM 268 N LEU A 17 2.886 -16.334 0.725 1.00 0.00 N ATOM 269 CA LEU A 17 1.467 -16.348 1.054 1.00 0.00 C ATOM 270 C LEU A 17 0.759 -17.504 0.354 1.00 0.00 C ATOM 271 O LEU A 17 1.402 -18.374 -0.232 1.00 0.00 O ATOM 272 CB LEU A 17 0.816 -15.021 0.657 1.00 0.00 C ATOM 273 CG LEU A 17 -0.001 -14.345 1.760 1.00 0.00 C ATOM 274 CD1 LEU A 17 0.885 -14.013 2.952 1.00 0.00 C ATOM 275 CD2 LEU A 17 -0.677 -13.091 1.229 1.00 0.00 C ATOM 0 H LEU A 17 3.104 -16.664 -0.215 1.00 0.00 H new ATOM 0 HA LEU A 17 1.370 -16.484 2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.597 -14.334 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.166 -15.195 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.775 -15.038 2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.287 -13.533 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.322 -14.930 3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.681 -13.338 2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.254 -12.623 2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.080 -12.393 0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.343 -13.356 0.408 1.00 0.00 H new ATOM 287 N GLU A 18 -0.568 -17.508 0.422 1.00 0.00 N ATOM 288 CA GLU A 18 -1.362 -18.558 -0.205 1.00 0.00 C ATOM 289 C GLU A 18 -2.566 -17.970 -0.933 1.00 0.00 C ATOM 290 O GLU A 18 -3.057 -16.898 -0.579 1.00 0.00 O ATOM 291 CB GLU A 18 -1.830 -19.567 0.846 1.00 0.00 C ATOM 292 CG GLU A 18 -0.696 -20.172 1.655 1.00 0.00 C ATOM 293 CD GLU A 18 -0.330 -21.569 1.193 1.00 0.00 C ATOM 294 OE1 GLU A 18 -0.959 -22.536 1.671 1.00 0.00 O ATOM 295 OE2 GLU A 18 0.586 -21.697 0.353 1.00 0.00 O ATOM 0 H GLU A 18 -1.116 -16.796 0.905 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.733 -19.068 -0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.527 -19.075 1.524 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.379 -20.368 0.350 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.181 -19.528 1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.982 -20.204 2.706 1.00 0.00 H new ATOM 302 N PRO A 19 -3.058 -18.673 -1.965 1.00 0.00 N ATOM 303 CA PRO A 19 -4.213 -18.226 -2.749 1.00 0.00 C ATOM 304 C PRO A 19 -5.472 -18.105 -1.900 1.00 0.00 C ATOM 305 O PRO A 19 -6.415 -17.402 -2.265 1.00 0.00 O ATOM 306 CB PRO A 19 -4.382 -19.323 -3.808 1.00 0.00 C ATOM 307 CG PRO A 19 -3.663 -20.508 -3.259 1.00 0.00 C ATOM 308 CD PRO A 19 -2.529 -19.959 -2.441 1.00 0.00 C ATOM 0 HA PRO A 19 -4.056 -17.234 -3.173 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.435 -19.546 -3.980 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.961 -19.015 -4.765 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.327 -21.118 -2.647 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.293 -21.146 -4.061 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.271 -20.620 -1.614 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.627 -19.828 -3.038 1.00 0.00 H new ATOM 316 N SER A 20 -5.480 -18.794 -0.763 1.00 0.00 N ATOM 317 CA SER A 20 -6.623 -18.761 0.142 1.00 0.00 C ATOM 318 C SER A 20 -6.584 -17.512 1.015 1.00 0.00 C ATOM 319 O SER A 20 -7.585 -17.133 1.621 1.00 0.00 O ATOM 320 CB SER A 20 -6.640 -20.012 1.021 1.00 0.00 C ATOM 321 OG SER A 20 -5.849 -19.830 2.183 1.00 0.00 O ATOM 0 H SER A 20 -4.708 -19.381 -0.447 1.00 0.00 H new ATOM 0 HA SER A 20 -7.532 -18.737 -0.458 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.665 -20.245 1.308 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.267 -20.864 0.453 1.00 0.00 H new ATOM 0 HG SER A 20 -5.878 -20.643 2.729 1.00 0.00 H new ATOM 327 N ASP A 21 -5.418 -16.875 1.072 1.00 0.00 N ATOM 328 CA ASP A 21 -5.244 -15.667 1.867 1.00 0.00 C ATOM 329 C ASP A 21 -6.002 -14.498 1.250 1.00 0.00 C ATOM 330 O ASP A 21 -6.436 -14.564 0.100 1.00 0.00 O ATOM 331 CB ASP A 21 -3.759 -15.319 1.988 1.00 0.00 C ATOM 332 CG ASP A 21 -3.049 -16.168 3.026 1.00 0.00 C ATOM 333 OD1 ASP A 21 -3.375 -16.036 4.224 1.00 0.00 O ATOM 334 OD2 ASP A 21 -2.168 -16.965 2.639 1.00 0.00 O ATOM 0 H ASP A 21 -4.580 -17.177 0.576 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.648 -15.856 2.862 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.277 -15.455 1.020 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.655 -14.266 2.251 1.00 0.00 H new ATOM 339 N THR A 22 -6.157 -13.428 2.022 1.00 0.00 N ATOM 340 CA THR A 22 -6.864 -12.243 1.551 1.00 0.00 C ATOM 341 C THR A 22 -5.958 -11.017 1.585 1.00 0.00 C ATOM 342 O THR A 22 -4.878 -11.046 2.177 1.00 0.00 O ATOM 343 CB THR A 22 -8.108 -11.994 2.405 1.00 0.00 C ATOM 344 OG1 THR A 22 -7.761 -11.349 3.618 1.00 0.00 O ATOM 345 CG2 THR A 22 -8.855 -13.261 2.758 1.00 0.00 C ATOM 0 H THR A 22 -5.803 -13.357 2.976 1.00 0.00 H new ATOM 0 HA THR A 22 -7.167 -12.419 0.519 1.00 0.00 H new ATOM 0 HB THR A 22 -8.757 -11.367 1.794 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.037 -11.843 4.056 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.726 -13.013 3.364 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.179 -13.759 1.844 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.199 -13.926 3.320 1.00 0.00 H new ATOM 353 N VAL A 23 -6.405 -9.940 0.948 1.00 0.00 N ATOM 354 CA VAL A 23 -5.635 -8.704 0.908 1.00 0.00 C ATOM 355 C VAL A 23 -5.187 -8.300 2.307 1.00 0.00 C ATOM 356 O VAL A 23 -4.024 -7.959 2.523 1.00 0.00 O ATOM 357 CB VAL A 23 -6.450 -7.553 0.290 1.00 0.00 C ATOM 358 CG1 VAL A 23 -5.554 -6.364 -0.011 1.00 0.00 C ATOM 359 CG2 VAL A 23 -7.168 -8.023 -0.967 1.00 0.00 C ATOM 0 H VAL A 23 -7.296 -9.899 0.453 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.761 -8.892 0.285 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.202 -7.235 1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.149 -5.561 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.093 -6.013 0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.777 -6.663 -0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.739 -7.197 -1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.436 -8.369 -1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.844 -8.840 -0.716 1.00 0.00 H new ATOM 369 N GLU A 24 -6.118 -8.342 3.256 1.00 0.00 N ATOM 370 CA GLU A 24 -5.817 -7.985 4.637 1.00 0.00 C ATOM 371 C GLU A 24 -4.523 -8.649 5.093 1.00 0.00 C ATOM 372 O GLU A 24 -3.676 -8.016 5.724 1.00 0.00 O ATOM 373 CB GLU A 24 -6.968 -8.395 5.556 1.00 0.00 C ATOM 374 CG GLU A 24 -7.310 -7.352 6.607 1.00 0.00 C ATOM 375 CD GLU A 24 -7.690 -7.968 7.939 1.00 0.00 C ATOM 376 OE1 GLU A 24 -8.787 -8.557 8.029 1.00 0.00 O ATOM 377 OE2 GLU A 24 -6.891 -7.862 8.893 1.00 0.00 O ATOM 0 H GLU A 24 -7.086 -8.620 3.093 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.691 -6.904 4.691 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.853 -8.592 4.950 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.709 -9.329 6.054 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.456 -6.690 6.748 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.134 -6.736 6.247 1.00 0.00 H new ATOM 384 N ASN A 25 -4.376 -9.929 4.768 1.00 0.00 N ATOM 385 CA ASN A 25 -3.184 -10.680 5.140 1.00 0.00 C ATOM 386 C ASN A 25 -1.951 -10.102 4.455 1.00 0.00 C ATOM 387 O ASN A 25 -0.952 -9.794 5.106 1.00 0.00 O ATOM 388 CB ASN A 25 -3.345 -12.155 4.767 1.00 0.00 C ATOM 389 CG ASN A 25 -4.605 -12.765 5.351 1.00 0.00 C ATOM 390 OD1 ASN A 25 -5.359 -13.444 4.657 1.00 0.00 O ATOM 391 ND2 ASN A 25 -4.837 -12.524 6.637 1.00 0.00 N ATOM 0 H ASN A 25 -5.068 -10.468 4.247 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.054 -10.601 6.219 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.367 -12.252 3.682 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.477 -12.713 5.119 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.668 -12.908 7.086 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.184 -11.955 7.175 1.00 0.00 H new ATOM 398 N LEU A 26 -2.030 -9.951 3.136 1.00 0.00 N ATOM 399 CA LEU A 26 -0.922 -9.404 2.363 1.00 0.00 C ATOM 400 C LEU A 26 -0.431 -8.099 2.979 1.00 0.00 C ATOM 401 O LEU A 26 0.761 -7.934 3.246 1.00 0.00 O ATOM 402 CB LEU A 26 -1.348 -9.171 0.912 1.00 0.00 C ATOM 403 CG LEU A 26 -0.393 -8.303 0.089 1.00 0.00 C ATOM 404 CD1 LEU A 26 1.003 -8.904 0.083 1.00 0.00 C ATOM 405 CD2 LEU A 26 -0.913 -8.142 -1.333 1.00 0.00 C ATOM 0 H LEU A 26 -2.849 -10.200 2.582 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.105 -10.126 2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.452 -10.138 0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.333 -8.705 0.909 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.339 -7.317 0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.668 -8.273 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.376 -8.968 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.968 -9.902 -0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.222 -7.522 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.996 -9.122 -1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.894 -7.667 -1.310 1.00 0.00 H new ATOM 417 N LYS A 27 -1.357 -7.175 3.208 1.00 0.00 N ATOM 418 CA LYS A 27 -1.019 -5.886 3.798 1.00 0.00 C ATOM 419 C LYS A 27 -0.287 -6.080 5.122 1.00 0.00 C ATOM 420 O LYS A 27 0.791 -5.524 5.333 1.00 0.00 O ATOM 421 CB LYS A 27 -2.283 -5.053 4.018 1.00 0.00 C ATOM 422 CG LYS A 27 -3.151 -4.927 2.777 1.00 0.00 C ATOM 423 CD LYS A 27 -3.074 -3.530 2.182 1.00 0.00 C ATOM 424 CE LYS A 27 -4.165 -3.304 1.148 1.00 0.00 C ATOM 425 NZ LYS A 27 -5.008 -2.122 1.478 1.00 0.00 N ATOM 0 H LYS A 27 -2.347 -7.295 2.994 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.362 -5.355 3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.870 -5.503 4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.997 -4.056 4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.833 -5.658 2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.185 -5.159 3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.165 -2.789 2.977 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.098 -3.383 1.720 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.711 -3.164 0.167 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.794 -4.192 1.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.281 -1.635 0.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.863 -2.435 1.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.469 -1.470 2.083 1.00 0.00 H new ATOM 439 N ALA A 28 -0.878 -6.875 6.008 1.00 0.00 N ATOM 440 CA ALA A 28 -0.277 -7.145 7.307 1.00 0.00 C ATOM 441 C ALA A 28 1.208 -7.448 7.163 1.00 0.00 C ATOM 442 O ALA A 28 2.027 -6.986 7.958 1.00 0.00 O ATOM 443 CB ALA A 28 -0.992 -8.302 7.990 1.00 0.00 C ATOM 0 H ALA A 28 -1.771 -7.342 5.850 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.384 -6.254 7.926 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.532 -8.492 8.960 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.043 -8.048 8.130 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.914 -9.195 7.370 1.00 0.00 H new ATOM 449 N LYS A 29 1.550 -8.224 6.140 1.00 0.00 N ATOM 450 CA LYS A 29 2.939 -8.586 5.887 1.00 0.00 C ATOM 451 C LYS A 29 3.763 -7.350 5.543 1.00 0.00 C ATOM 452 O LYS A 29 4.860 -7.156 6.068 1.00 0.00 O ATOM 453 CB LYS A 29 3.025 -9.605 4.749 1.00 0.00 C ATOM 454 CG LYS A 29 2.349 -10.928 5.067 1.00 0.00 C ATOM 455 CD LYS A 29 3.297 -11.883 5.773 1.00 0.00 C ATOM 456 CE LYS A 29 3.257 -13.270 5.151 1.00 0.00 C ATOM 457 NZ LYS A 29 2.416 -14.210 5.943 1.00 0.00 N ATOM 0 H LYS A 29 0.884 -8.614 5.473 1.00 0.00 H new ATOM 0 HA LYS A 29 3.345 -9.034 6.794 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.569 -9.179 3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.074 -9.789 4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.476 -10.750 5.695 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.990 -11.385 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.313 -11.491 5.725 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.030 -11.948 6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.867 -13.201 4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.271 -13.664 5.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.415 -15.144 5.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.803 -14.296 6.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.442 -13.847 5.992 1.00 0.00 H new ATOM 471 N ILE A 30 3.225 -6.515 4.660 1.00 0.00 N ATOM 472 CA ILE A 30 3.909 -5.295 4.248 1.00 0.00 C ATOM 473 C ILE A 30 4.139 -4.367 5.435 1.00 0.00 C ATOM 474 O ILE A 30 5.068 -3.558 5.434 1.00 0.00 O ATOM 475 CB ILE A 30 3.111 -4.539 3.169 1.00 0.00 C ATOM 476 CG1 ILE A 30 2.787 -5.471 1.999 1.00 0.00 C ATOM 477 CG2 ILE A 30 3.890 -3.325 2.687 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.277 -4.746 0.774 1.00 0.00 C ATOM 0 H ILE A 30 2.318 -6.661 4.216 1.00 0.00 H new ATOM 0 HA ILE A 30 4.871 -5.597 3.833 1.00 0.00 H new ATOM 0 HB ILE A 30 2.174 -4.194 3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.683 -6.032 1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.040 -6.197 2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.313 -2.801 1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.075 -2.655 3.526 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.841 -3.648 2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.068 -5.468 -0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.363 -4.207 1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.032 -4.040 0.429 1.00 0.00 H new ATOM 490 N GLN A 31 3.287 -4.490 6.448 1.00 0.00 N ATOM 491 CA GLN A 31 3.397 -3.664 7.644 1.00 0.00 C ATOM 492 C GLN A 31 4.383 -4.273 8.636 1.00 0.00 C ATOM 493 O GLN A 31 4.832 -3.608 9.569 1.00 0.00 O ATOM 494 CB GLN A 31 2.028 -3.500 8.305 1.00 0.00 C ATOM 495 CG GLN A 31 2.078 -2.762 9.633 1.00 0.00 C ATOM 496 CD GLN A 31 0.708 -2.584 10.255 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.242 -3.283 9.902 1.00 0.00 O ATOM 498 NE2 GLN A 31 0.599 -1.646 11.188 1.00 0.00 N ATOM 0 H GLN A 31 2.513 -5.154 6.464 1.00 0.00 H new ATOM 0 HA GLN A 31 3.767 -2.684 7.345 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.367 -2.962 7.625 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.590 -4.485 8.463 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.718 -3.310 10.325 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.534 -1.784 9.483 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.413 -1.090 11.450 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.299 -1.481 11.643 1.00 0.00 H new ATOM 507 N ASP A 32 4.713 -5.543 8.429 1.00 0.00 N ATOM 508 CA ASP A 32 5.645 -6.242 9.305 1.00 0.00 C ATOM 509 C ASP A 32 7.079 -6.103 8.804 1.00 0.00 C ATOM 510 O ASP A 32 8.020 -6.034 9.595 1.00 0.00 O ATOM 511 CB ASP A 32 5.270 -7.715 9.406 1.00 0.00 C ATOM 512 CG ASP A 32 4.961 -8.137 10.829 1.00 0.00 C ATOM 513 OD1 ASP A 32 5.866 -8.041 11.686 1.00 0.00 O ATOM 514 OD2 ASP A 32 3.816 -8.563 11.088 1.00 0.00 O ATOM 0 H ASP A 32 4.349 -6.109 7.662 1.00 0.00 H new ATOM 0 HA ASP A 32 5.583 -5.788 10.294 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.402 -7.910 8.776 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.088 -8.323 9.019 1.00 0.00 H new ATOM 519 N LYS A 33 7.240 -6.069 7.484 1.00 0.00 N ATOM 520 CA LYS A 33 8.561 -5.945 6.877 1.00 0.00 C ATOM 521 C LYS A 33 8.847 -4.506 6.457 1.00 0.00 C ATOM 522 O LYS A 33 9.891 -3.947 6.794 1.00 0.00 O ATOM 523 CB LYS A 33 8.673 -6.871 5.664 1.00 0.00 C ATOM 524 CG LYS A 33 9.553 -8.086 5.903 1.00 0.00 C ATOM 525 CD LYS A 33 8.843 -9.374 5.518 1.00 0.00 C ATOM 526 CE LYS A 33 9.674 -10.596 5.874 1.00 0.00 C ATOM 527 NZ LYS A 33 9.611 -10.907 7.328 1.00 0.00 N ATOM 0 H LYS A 33 6.472 -6.126 6.815 1.00 0.00 H new ATOM 0 HA LYS A 33 9.300 -6.235 7.624 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.675 -7.206 5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.071 -6.305 4.822 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.472 -7.990 5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.840 -8.128 6.954 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.881 -9.426 6.027 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.638 -9.372 4.448 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.319 -11.455 5.304 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.711 -10.427 5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.191 -11.747 7.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.973 -10.098 7.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.625 -11.094 7.601 1.00 0.00 H new ATOM 541 N GLU A 34 7.920 -3.913 5.713 1.00 0.00 N ATOM 542 CA GLU A 34 8.081 -2.541 5.243 1.00 0.00 C ATOM 543 C GLU A 34 7.423 -1.548 6.197 1.00 0.00 C ATOM 544 O GLU A 34 7.399 -0.346 5.933 1.00 0.00 O ATOM 545 CB GLU A 34 7.486 -2.386 3.842 1.00 0.00 C ATOM 546 CG GLU A 34 8.525 -2.432 2.733 1.00 0.00 C ATOM 547 CD GLU A 34 9.758 -1.609 3.052 1.00 0.00 C ATOM 548 OE1 GLU A 34 9.606 -0.512 3.629 1.00 0.00 O ATOM 549 OE2 GLU A 34 10.875 -2.063 2.728 1.00 0.00 O ATOM 0 H GLU A 34 7.050 -4.360 5.422 1.00 0.00 H new ATOM 0 HA GLU A 34 9.149 -2.325 5.207 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.755 -3.177 3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.949 -1.439 3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.819 -3.467 2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.079 -2.067 1.808 1.00 0.00 H new ATOM 556 N GLY A 35 6.891 -2.055 7.303 1.00 0.00 N ATOM 557 CA GLY A 35 6.244 -1.192 8.273 1.00 0.00 C ATOM 558 C GLY A 35 5.320 -0.181 7.623 1.00 0.00 C ATOM 559 O GLY A 35 5.229 0.964 8.068 1.00 0.00 O ATOM 0 H GLY A 35 6.896 -3.046 7.545 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.675 -1.802 8.975 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.004 -0.666 8.851 1.00 0.00 H new ATOM 563 N ILE A 36 4.631 -0.603 6.568 1.00 0.00 N ATOM 564 CA ILE A 36 3.710 0.274 5.856 1.00 0.00 C ATOM 565 C ILE A 36 2.259 -0.059 6.194 1.00 0.00 C ATOM 566 O ILE A 36 1.805 -1.185 5.990 1.00 0.00 O ATOM 567 CB ILE A 36 3.909 0.176 4.330 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.252 0.791 3.929 1.00 0.00 C ATOM 569 CG2 ILE A 36 2.767 0.863 3.597 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.808 0.239 2.635 1.00 0.00 C ATOM 0 H ILE A 36 4.693 -1.547 6.187 1.00 0.00 H new ATOM 0 HA ILE A 36 3.928 1.292 6.178 1.00 0.00 H new ATOM 0 HB ILE A 36 3.912 -0.877 4.048 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.134 1.870 3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.974 0.619 4.728 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.925 0.783 2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.824 0.384 3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.732 1.915 3.882 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.761 0.720 2.414 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.959 -0.836 2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.106 0.434 1.825 1.00 0.00 H new ATOM 582 N PRO A 37 1.511 0.924 6.718 1.00 0.00 N ATOM 583 CA PRO A 37 0.103 0.741 7.089 1.00 0.00 C ATOM 584 C PRO A 37 -0.758 0.329 5.900 1.00 0.00 C ATOM 585 O PRO A 37 -0.665 0.911 4.820 1.00 0.00 O ATOM 586 CB PRO A 37 -0.323 2.122 7.601 1.00 0.00 C ATOM 587 CG PRO A 37 0.950 2.815 7.949 1.00 0.00 C ATOM 588 CD PRO A 37 1.981 2.291 6.992 1.00 0.00 C ATOM 0 HA PRO A 37 -0.020 -0.054 7.824 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.876 2.672 6.839 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.976 2.037 8.470 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.844 3.896 7.855 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.236 2.611 8.981 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.030 2.891 6.083 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.979 2.295 7.431 1.00 0.00 H new ATOM 596 N PRO A 38 -1.615 -0.685 6.090 1.00 0.00 N ATOM 597 CA PRO A 38 -2.503 -1.181 5.034 1.00 0.00 C ATOM 598 C PRO A 38 -3.382 -0.078 4.453 1.00 0.00 C ATOM 599 O PRO A 38 -3.742 -0.113 3.276 1.00 0.00 O ATOM 600 CB PRO A 38 -3.363 -2.228 5.748 1.00 0.00 C ATOM 601 CG PRO A 38 -2.558 -2.644 6.931 1.00 0.00 C ATOM 602 CD PRO A 38 -1.784 -1.426 7.350 1.00 0.00 C ATOM 0 HA PRO A 38 -1.944 -1.578 4.187 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.323 -1.811 6.051 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.575 -3.076 5.097 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.202 -2.995 7.738 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.887 -3.465 6.678 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.326 -0.840 8.092 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.824 -1.692 7.793 1.00 0.00 H new ATOM 610 N ASP A 39 -3.723 0.899 5.285 1.00 0.00 N ATOM 611 CA ASP A 39 -4.560 2.013 4.855 1.00 0.00 C ATOM 612 C ASP A 39 -3.863 2.832 3.772 1.00 0.00 C ATOM 613 O ASP A 39 -4.512 3.402 2.896 1.00 0.00 O ATOM 614 CB ASP A 39 -4.904 2.910 6.046 1.00 0.00 C ATOM 615 CG ASP A 39 -6.217 2.524 6.700 1.00 0.00 C ATOM 616 OD1 ASP A 39 -6.914 1.642 6.156 1.00 0.00 O ATOM 617 OD2 ASP A 39 -6.547 3.103 7.756 1.00 0.00 O ATOM 0 H ASP A 39 -3.433 0.943 6.262 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.481 1.603 4.440 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.103 2.853 6.783 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.958 3.947 5.713 1.00 0.00 H new ATOM 622 N GLN A 40 -2.536 2.883 3.838 1.00 0.00 N ATOM 623 CA GLN A 40 -1.750 3.630 2.864 1.00 0.00 C ATOM 624 C GLN A 40 -1.088 2.686 1.863 1.00 0.00 C ATOM 625 O GLN A 40 -0.075 3.025 1.252 1.00 0.00 O ATOM 626 CB GLN A 40 -0.684 4.470 3.569 1.00 0.00 C ATOM 627 CG GLN A 40 -1.194 5.184 4.810 1.00 0.00 C ATOM 628 CD GLN A 40 -0.270 6.299 5.261 1.00 0.00 C ATOM 629 OE1 GLN A 40 -0.701 7.432 5.471 1.00 0.00 O ATOM 630 NE2 GLN A 40 1.010 5.981 5.413 1.00 0.00 N ATOM 0 H GLN A 40 -1.983 2.415 4.556 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.425 4.294 2.323 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.149 3.825 3.848 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.294 5.209 2.869 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.183 5.596 4.608 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.309 4.462 5.619 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.324 5.028 5.228 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.679 6.689 5.715 1.00 0.00 H new ATOM 639 N GLN A 41 -1.667 1.501 1.703 1.00 0.00 N ATOM 640 CA GLN A 41 -1.134 0.508 0.779 1.00 0.00 C ATOM 641 C GLN A 41 -1.974 0.435 -0.491 1.00 0.00 C ATOM 642 O GLN A 41 -3.171 0.151 -0.439 1.00 0.00 O ATOM 643 CB GLN A 41 -1.084 -0.866 1.449 1.00 0.00 C ATOM 644 CG GLN A 41 0.177 -1.101 2.264 1.00 0.00 C ATOM 645 CD GLN A 41 0.264 -2.514 2.806 1.00 0.00 C ATOM 646 OE1 GLN A 41 0.376 -3.476 2.046 1.00 0.00 O ATOM 647 NE2 GLN A 41 0.213 -2.645 4.125 1.00 0.00 N ATOM 0 H GLN A 41 -2.506 1.205 2.202 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.123 0.811 0.506 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.952 -0.976 2.099 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.160 -1.637 0.683 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.050 -0.899 1.643 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.206 -0.395 3.094 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.120 -1.819 4.716 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.267 -3.572 4.548 1.00 0.00 H new ATOM 656 N ARG A 42 -1.342 0.691 -1.632 1.00 0.00 N ATOM 657 CA ARG A 42 -2.033 0.653 -2.915 1.00 0.00 C ATOM 658 C ARG A 42 -1.485 -0.465 -3.797 1.00 0.00 C ATOM 659 O ARG A 42 -0.550 -0.257 -4.569 1.00 0.00 O ATOM 660 CB ARG A 42 -1.896 1.997 -3.634 1.00 0.00 C ATOM 661 CG ARG A 42 -3.080 2.333 -4.526 1.00 0.00 C ATOM 662 CD ARG A 42 -3.084 3.801 -4.918 1.00 0.00 C ATOM 663 NE ARG A 42 -2.311 4.045 -6.131 1.00 0.00 N ATOM 664 CZ ARG A 42 -2.227 5.231 -6.726 1.00 0.00 C ATOM 665 NH1 ARG A 42 -2.870 6.274 -6.220 1.00 0.00 N ATOM 666 NH2 ARG A 42 -1.502 5.373 -7.826 1.00 0.00 N ATOM 0 H ARG A 42 -0.352 0.927 -1.694 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.088 0.457 -2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.775 2.786 -2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.989 1.986 -4.238 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.047 1.716 -5.424 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.008 2.091 -4.007 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.111 4.133 -5.070 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.674 4.395 -4.101 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.807 3.262 -6.546 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.429 6.167 -5.374 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.805 7.184 -6.677 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.007 4.572 -8.218 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.439 6.284 -8.281 1.00 0.00 H new ATOM 680 N LEU A 43 -2.073 -1.650 -3.675 1.00 0.00 N ATOM 681 CA LEU A 43 -1.642 -2.802 -4.460 1.00 0.00 C ATOM 682 C LEU A 43 -2.409 -2.880 -5.777 1.00 0.00 C ATOM 683 O LEU A 43 -3.616 -3.120 -5.790 1.00 0.00 O ATOM 684 CB LEU A 43 -1.841 -4.093 -3.665 1.00 0.00 C ATOM 685 CG LEU A 43 -1.585 -3.976 -2.163 1.00 0.00 C ATOM 686 CD1 LEU A 43 -2.347 -5.052 -1.405 1.00 0.00 C ATOM 687 CD2 LEU A 43 -0.094 -4.069 -1.869 1.00 0.00 C ATOM 0 H LEU A 43 -2.849 -1.838 -3.040 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.582 -2.681 -4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.862 -4.441 -3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.179 -4.858 -4.072 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.943 -3.003 -1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.152 -4.952 -0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.415 -4.941 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.021 -6.036 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.071 -3.984 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.287 -5.028 -2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.429 -3.262 -2.382 1.00 0.00 H new ATOM 699 N ILE A 44 -1.699 -2.680 -6.882 1.00 0.00 N ATOM 700 CA ILE A 44 -2.312 -2.729 -8.203 1.00 0.00 C ATOM 701 C ILE A 44 -1.721 -3.861 -9.038 1.00 0.00 C ATOM 702 O ILE A 44 -0.877 -3.632 -9.904 1.00 0.00 O ATOM 703 CB ILE A 44 -2.128 -1.401 -8.961 1.00 0.00 C ATOM 704 CG1 ILE A 44 -2.704 -0.240 -8.148 1.00 0.00 C ATOM 705 CG2 ILE A 44 -2.788 -1.477 -10.329 1.00 0.00 C ATOM 706 CD1 ILE A 44 -2.217 1.117 -8.605 1.00 0.00 C ATOM 0 H ILE A 44 -0.698 -2.482 -6.888 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.377 -2.906 -8.050 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.062 -1.225 -9.103 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.792 -0.267 -8.211 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.442 -0.377 -7.099 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.650 -0.531 -10.853 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.335 -2.282 -10.907 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.854 -1.672 -10.209 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.666 1.893 -7.984 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.132 1.163 -8.515 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.502 1.275 -9.645 1.00 0.00 H new ATOM 718 N PHE A 45 -2.172 -5.083 -8.773 1.00 0.00 N ATOM 719 CA PHE A 45 -1.687 -6.250 -9.502 1.00 0.00 C ATOM 720 C PHE A 45 -2.016 -6.140 -10.986 1.00 0.00 C ATOM 721 O PHE A 45 -3.179 -6.217 -11.383 1.00 0.00 O ATOM 722 CB PHE A 45 -2.298 -7.528 -8.925 1.00 0.00 C ATOM 723 CG PHE A 45 -2.221 -8.704 -9.855 1.00 0.00 C ATOM 724 CD1 PHE A 45 -0.989 -9.205 -10.263 1.00 0.00 C ATOM 725 CD2 PHE A 45 -3.380 -9.311 -10.327 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.914 -10.290 -11.121 1.00 0.00 C ATOM 727 CE2 PHE A 45 -3.311 -10.397 -11.186 1.00 0.00 C ATOM 728 CZ PHE A 45 -2.076 -10.886 -11.584 1.00 0.00 C ATOM 0 H PHE A 45 -2.871 -5.291 -8.060 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.603 -6.292 -9.391 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.787 -7.777 -7.995 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.342 -7.341 -8.675 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.080 -8.743 -9.907 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.344 -8.932 -10.021 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.049 -10.671 -11.429 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.218 -10.861 -11.545 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.020 -11.731 -12.254 1.00 0.00 H new ATOM 738 N ALA A 46 -0.984 -5.960 -11.804 1.00 0.00 N ATOM 739 CA ALA A 46 -1.162 -5.841 -13.246 1.00 0.00 C ATOM 740 C ALA A 46 -2.189 -4.766 -13.585 1.00 0.00 C ATOM 741 O ALA A 46 -2.976 -4.918 -14.520 1.00 0.00 O ATOM 742 CB ALA A 46 -1.580 -7.178 -13.838 1.00 0.00 C ATOM 0 H ALA A 46 -0.015 -5.893 -11.492 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.208 -5.546 -13.682 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.709 -7.074 -14.915 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.810 -7.922 -13.635 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.521 -7.497 -13.389 1.00 0.00 H new ATOM 748 N GLY A 47 -2.176 -3.679 -12.820 1.00 0.00 N ATOM 749 CA GLY A 47 -3.109 -2.595 -13.057 1.00 0.00 C ATOM 750 C GLY A 47 -4.445 -2.820 -12.376 1.00 0.00 C ATOM 751 O GLY A 47 -5.376 -2.033 -12.545 1.00 0.00 O ATOM 0 H GLY A 47 -1.535 -3.530 -12.040 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.675 -1.661 -12.699 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.266 -2.483 -14.130 1.00 0.00 H new ATOM 755 N LYS A 48 -4.537 -3.897 -11.604 1.00 0.00 N ATOM 756 CA LYS A 48 -5.767 -4.225 -10.893 1.00 0.00 C ATOM 757 C LYS A 48 -5.655 -3.866 -9.416 1.00 0.00 C ATOM 758 O LYS A 48 -4.784 -4.373 -8.708 1.00 0.00 O ATOM 759 CB LYS A 48 -6.088 -5.713 -11.046 1.00 0.00 C ATOM 760 CG LYS A 48 -7.514 -5.985 -11.494 1.00 0.00 C ATOM 761 CD LYS A 48 -7.851 -7.466 -11.408 1.00 0.00 C ATOM 762 CE LYS A 48 -7.843 -8.119 -12.781 1.00 0.00 C ATOM 763 NZ LYS A 48 -7.549 -9.576 -12.701 1.00 0.00 N ATOM 0 H LYS A 48 -3.774 -4.558 -11.455 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.576 -3.639 -11.329 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.399 -6.152 -11.768 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.914 -6.214 -10.094 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.206 -5.416 -10.873 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.647 -5.639 -12.519 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.131 -7.967 -10.761 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.832 -7.591 -10.950 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.811 -7.970 -13.260 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.098 -7.632 -13.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.553 -9.984 -13.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.614 -9.718 -12.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.274 -10.045 -12.122 1.00 0.00 H new ATOM 777 N GLN A 49 -6.542 -2.991 -8.957 1.00 0.00 N ATOM 778 CA GLN A 49 -6.543 -2.565 -7.563 1.00 0.00 C ATOM 779 C GLN A 49 -7.132 -3.647 -6.664 1.00 0.00 C ATOM 780 O GLN A 49 -8.284 -4.049 -6.833 1.00 0.00 O ATOM 781 CB GLN A 49 -7.336 -1.266 -7.404 1.00 0.00 C ATOM 782 CG GLN A 49 -7.168 -0.611 -6.042 1.00 0.00 C ATOM 783 CD GLN A 49 -7.763 0.782 -5.988 1.00 0.00 C ATOM 784 OE1 GLN A 49 -7.131 1.721 -5.506 1.00 0.00 O ATOM 785 NE2 GLN A 49 -8.986 0.923 -6.485 1.00 0.00 N ATOM 0 H GLN A 49 -7.269 -2.563 -9.530 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.510 -2.390 -7.262 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.024 -0.563 -8.176 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.393 -1.473 -7.570 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.641 -1.234 -5.283 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.107 -0.559 -5.796 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.474 0.117 -6.875 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.438 1.838 -6.477 1.00 0.00 H new ATOM 794 N LEU A 50 -6.335 -4.115 -5.711 1.00 0.00 N ATOM 795 CA LEU A 50 -6.778 -5.152 -4.786 1.00 0.00 C ATOM 796 C LEU A 50 -7.735 -4.579 -3.745 1.00 0.00 C ATOM 797 O LEU A 50 -7.456 -3.547 -3.133 1.00 0.00 O ATOM 798 CB LEU A 50 -5.575 -5.793 -4.092 1.00 0.00 C ATOM 799 CG LEU A 50 -4.428 -6.190 -5.021 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.474 -7.141 -4.314 1.00 0.00 C ATOM 801 CD2 LEU A 50 -4.968 -6.823 -6.295 1.00 0.00 C ATOM 0 H LEU A 50 -5.379 -3.793 -5.558 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.307 -5.914 -5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.193 -5.098 -3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.914 -6.681 -3.558 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.877 -5.290 -5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.664 -7.413 -4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.061 -6.653 -3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.013 -8.040 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.137 -7.099 -6.944 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.543 -7.714 -6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.611 -6.110 -6.811 1.00 0.00 H new ATOM 813 N GLU A 51 -8.863 -5.253 -3.549 1.00 0.00 N ATOM 814 CA GLU A 51 -9.860 -4.809 -2.583 1.00 0.00 C ATOM 815 C GLU A 51 -9.686 -5.533 -1.251 1.00 0.00 C ATOM 816 O GLU A 51 -9.676 -6.763 -1.199 1.00 0.00 O ATOM 817 CB GLU A 51 -11.270 -5.048 -3.126 1.00 0.00 C ATOM 818 CG GLU A 51 -11.429 -4.677 -4.591 1.00 0.00 C ATOM 819 CD GLU A 51 -12.499 -5.496 -5.286 1.00 0.00 C ATOM 820 OE1 GLU A 51 -13.407 -6.000 -4.592 1.00 0.00 O ATOM 821 OE2 GLU A 51 -12.429 -5.633 -6.526 1.00 0.00 O ATOM 0 H GLU A 51 -9.109 -6.109 -4.046 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.719 -3.741 -2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.527 -6.099 -2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.981 -4.471 -2.535 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.678 -3.619 -4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.478 -4.819 -5.103 1.00 0.00 H new ATOM 828 N ASP A 52 -9.551 -4.762 -0.178 1.00 0.00 N ATOM 829 CA ASP A 52 -9.378 -5.331 1.154 1.00 0.00 C ATOM 830 C ASP A 52 -10.504 -6.309 1.477 1.00 0.00 C ATOM 831 O ASP A 52 -11.598 -5.904 1.867 1.00 0.00 O ATOM 832 CB ASP A 52 -9.335 -4.221 2.205 1.00 0.00 C ATOM 833 CG ASP A 52 -9.452 -4.758 3.617 1.00 0.00 C ATOM 834 OD1 ASP A 52 -8.739 -5.729 3.944 1.00 0.00 O ATOM 835 OD2 ASP A 52 -10.259 -4.208 4.397 1.00 0.00 O ATOM 0 H ASP A 52 -9.558 -3.742 -0.204 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.433 -5.873 1.170 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.402 -3.667 2.106 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.146 -3.516 2.019 1.00 0.00 H new ATOM 840 N GLY A 53 -10.226 -7.598 1.312 1.00 0.00 N ATOM 841 CA GLY A 53 -11.224 -8.613 1.590 1.00 0.00 C ATOM 842 C GLY A 53 -11.251 -9.703 0.536 1.00 0.00 C ATOM 843 O GLY A 53 -11.894 -10.737 0.719 1.00 0.00 O ATOM 0 H GLY A 53 -9.327 -7.957 0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.023 -9.059 2.564 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.207 -8.145 1.650 1.00 0.00 H new ATOM 847 N ARG A 54 -10.551 -9.471 -0.570 1.00 0.00 N ATOM 848 CA ARG A 54 -10.496 -10.441 -1.657 1.00 0.00 C ATOM 849 C ARG A 54 -9.313 -11.386 -1.482 1.00 0.00 C ATOM 850 O ARG A 54 -8.265 -10.997 -0.966 1.00 0.00 O ATOM 851 CB ARG A 54 -10.396 -9.724 -3.004 1.00 0.00 C ATOM 852 CG ARG A 54 -11.534 -8.750 -3.261 1.00 0.00 C ATOM 853 CD ARG A 54 -12.836 -9.479 -3.551 1.00 0.00 C ATOM 854 NE ARG A 54 -13.563 -9.808 -2.328 1.00 0.00 N ATOM 855 CZ ARG A 54 -14.599 -10.639 -2.289 1.00 0.00 C ATOM 856 NH1 ARG A 54 -15.026 -11.222 -3.399 1.00 0.00 N ATOM 857 NH2 ARG A 54 -15.207 -10.889 -1.137 1.00 0.00 N ATOM 0 H ARG A 54 -10.014 -8.620 -0.737 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.414 -11.028 -1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.450 -9.185 -3.050 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.378 -10.467 -3.801 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.663 -8.103 -2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.280 -8.107 -4.104 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.464 -8.859 -4.190 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.624 -10.394 -4.104 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.259 -9.376 -1.456 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.559 -11.033 -4.286 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.821 -11.860 -3.367 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.879 -10.443 -0.280 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.002 -11.527 -1.108 1.00 0.00 H new ATOM 871 N THR A 55 -9.486 -12.631 -1.913 1.00 0.00 N ATOM 872 CA THR A 55 -8.432 -13.632 -1.803 1.00 0.00 C ATOM 873 C THR A 55 -7.554 -13.636 -3.051 1.00 0.00 C ATOM 874 O THR A 55 -8.049 -13.519 -4.171 1.00 0.00 O ATOM 875 CB THR A 55 -9.035 -15.020 -1.587 1.00 0.00 C ATOM 876 OG1 THR A 55 -9.481 -15.571 -2.813 1.00 0.00 O ATOM 877 CG2 THR A 55 -10.209 -15.019 -0.631 1.00 0.00 C ATOM 0 H THR A 55 -10.347 -12.971 -2.342 1.00 0.00 H new ATOM 0 HA THR A 55 -7.812 -13.376 -0.944 1.00 0.00 H new ATOM 0 HB THR A 55 -8.233 -15.619 -1.154 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.276 -15.087 -3.119 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.590 -16.034 -0.522 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.886 -14.646 0.341 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.997 -14.376 -1.023 1.00 0.00 H new ATOM 885 N LEU A 56 -6.247 -13.770 -2.847 1.00 0.00 N ATOM 886 CA LEU A 56 -5.300 -13.788 -3.956 1.00 0.00 C ATOM 887 C LEU A 56 -5.836 -14.622 -5.115 1.00 0.00 C ATOM 888 O LEU A 56 -5.619 -14.294 -6.282 1.00 0.00 O ATOM 889 CB LEU A 56 -3.952 -14.343 -3.491 1.00 0.00 C ATOM 890 CG LEU A 56 -3.451 -13.790 -2.155 1.00 0.00 C ATOM 891 CD1 LEU A 56 -1.989 -14.152 -1.943 1.00 0.00 C ATOM 892 CD2 LEU A 56 -3.642 -12.282 -2.098 1.00 0.00 C ATOM 0 H LEU A 56 -5.820 -13.868 -1.926 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.163 -12.764 -4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.030 -15.427 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.206 -14.132 -4.257 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.036 -14.241 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.650 -13.751 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.879 -15.236 -1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.389 -13.729 -2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.280 -11.905 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.082 -11.813 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.701 -12.045 -2.205 1.00 0.00 H new ATOM 904 N SER A 57 -6.538 -15.701 -4.785 1.00 0.00 N ATOM 905 CA SER A 57 -7.107 -16.583 -5.799 1.00 0.00 C ATOM 906 C SER A 57 -8.170 -15.856 -6.618 1.00 0.00 C ATOM 907 O SER A 57 -8.325 -16.107 -7.813 1.00 0.00 O ATOM 908 CB SER A 57 -7.714 -17.823 -5.142 1.00 0.00 C ATOM 909 OG SER A 57 -8.643 -18.456 -6.006 1.00 0.00 O ATOM 0 H SER A 57 -6.727 -15.986 -3.824 1.00 0.00 H new ATOM 0 HA SER A 57 -6.305 -16.891 -6.469 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.922 -18.524 -4.879 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.210 -17.540 -4.214 1.00 0.00 H new ATOM 0 HG SER A 57 -9.016 -19.247 -5.563 1.00 0.00 H new ATOM 915 N ASP A 58 -8.898 -14.955 -5.967 1.00 0.00 N ATOM 916 CA ASP A 58 -9.947 -14.192 -6.634 1.00 0.00 C ATOM 917 C ASP A 58 -9.391 -13.437 -7.836 1.00 0.00 C ATOM 918 O ASP A 58 -10.109 -13.169 -8.799 1.00 0.00 O ATOM 919 CB ASP A 58 -10.592 -13.211 -5.654 1.00 0.00 C ATOM 920 CG ASP A 58 -11.620 -13.878 -4.761 1.00 0.00 C ATOM 921 OD1 ASP A 58 -12.547 -14.519 -5.300 1.00 0.00 O ATOM 922 OD2 ASP A 58 -11.500 -13.760 -3.524 1.00 0.00 O ATOM 0 H ASP A 58 -8.781 -14.735 -4.978 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.703 -14.893 -6.988 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.817 -12.757 -5.036 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.068 -12.404 -6.212 1.00 0.00 H new ATOM 927 N TYR A 59 -8.108 -13.097 -7.774 1.00 0.00 N ATOM 928 CA TYR A 59 -7.456 -12.373 -8.859 1.00 0.00 C ATOM 929 C TYR A 59 -6.600 -13.311 -9.702 1.00 0.00 C ATOM 930 O TYR A 59 -5.591 -12.900 -10.275 1.00 0.00 O ATOM 931 CB TYR A 59 -6.595 -11.239 -8.299 1.00 0.00 C ATOM 932 CG TYR A 59 -7.396 -10.129 -7.659 1.00 0.00 C ATOM 933 CD1 TYR A 59 -8.208 -9.297 -8.429 1.00 0.00 C ATOM 934 CD2 TYR A 59 -7.346 -9.910 -6.282 1.00 0.00 C ATOM 935 CE1 TYR A 59 -8.945 -8.278 -7.846 1.00 0.00 C ATOM 936 CE2 TYR A 59 -8.080 -8.894 -5.693 1.00 0.00 C ATOM 937 CZ TYR A 59 -8.878 -8.082 -6.479 1.00 0.00 C ATOM 938 OH TYR A 59 -9.609 -7.072 -5.897 1.00 0.00 O ATOM 0 H TYR A 59 -7.499 -13.311 -6.984 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.231 -11.949 -9.497 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.905 -11.649 -7.562 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.991 -10.822 -9.104 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.264 -9.449 -9.497 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.725 -10.543 -5.666 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.568 -7.641 -8.456 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.030 -8.736 -4.626 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.433 -6.929 -6.407 1.00 0.00 H new ATOM 948 N ASN A 60 -7.009 -14.573 -9.773 1.00 0.00 N ATOM 949 CA ASN A 60 -6.279 -15.571 -10.546 1.00 0.00 C ATOM 950 C ASN A 60 -4.774 -15.374 -10.402 1.00 0.00 C ATOM 951 O ASN A 60 -4.026 -15.484 -11.374 1.00 0.00 O ATOM 952 CB ASN A 60 -6.676 -15.494 -12.021 1.00 0.00 C ATOM 953 CG ASN A 60 -6.836 -14.066 -12.504 1.00 0.00 C ATOM 954 OD1 ASN A 60 -7.882 -13.447 -12.312 1.00 0.00 O ATOM 955 ND2 ASN A 60 -5.795 -13.535 -13.136 1.00 0.00 N ATOM 0 H ASN A 60 -7.842 -14.929 -9.305 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.538 -16.556 -10.158 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.920 -15.996 -12.624 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.612 -16.032 -12.171 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.844 -12.577 -13.484 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.947 -14.085 -13.273 1.00 0.00 H new ATOM 962 N LEU A 61 -4.336 -15.079 -9.182 1.00 0.00 N ATOM 963 CA LEU A 61 -2.920 -14.866 -8.910 1.00 0.00 C ATOM 964 C LEU A 61 -2.109 -16.120 -9.217 1.00 0.00 C ATOM 965 O LEU A 61 -2.607 -17.239 -9.089 1.00 0.00 O ATOM 966 CB LEU A 61 -2.715 -14.456 -7.449 1.00 0.00 C ATOM 967 CG LEU A 61 -2.711 -12.947 -7.194 1.00 0.00 C ATOM 968 CD1 LEU A 61 -1.291 -12.405 -7.234 1.00 0.00 C ATOM 969 CD2 LEU A 61 -3.588 -12.231 -8.208 1.00 0.00 C ATOM 0 H LEU A 61 -4.941 -14.982 -8.367 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.570 -14.063 -9.559 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.503 -14.909 -6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.769 -14.870 -7.101 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.120 -12.764 -6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.306 -11.331 -7.051 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.693 -12.896 -6.466 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.855 -12.600 -8.214 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.572 -11.159 -8.010 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.211 -12.420 -9.213 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.611 -12.600 -8.129 1.00 0.00 H new ATOM 981 N GLN A 62 -0.860 -15.926 -9.622 1.00 0.00 N ATOM 982 CA GLN A 62 0.020 -17.043 -9.946 1.00 0.00 C ATOM 983 C GLN A 62 1.267 -17.024 -9.068 1.00 0.00 C ATOM 984 O GLN A 62 1.422 -16.155 -8.211 1.00 0.00 O ATOM 985 CB GLN A 62 0.420 -16.990 -11.422 1.00 0.00 C ATOM 986 CG GLN A 62 -0.680 -17.449 -12.366 1.00 0.00 C ATOM 987 CD GLN A 62 -0.216 -18.532 -13.319 1.00 0.00 C ATOM 988 OE1 GLN A 62 0.253 -19.589 -12.896 1.00 0.00 O ATOM 989 NE2 GLN A 62 -0.343 -18.274 -14.616 1.00 0.00 N ATOM 0 H GLN A 62 -0.433 -15.006 -9.734 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.522 -17.969 -9.756 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.704 -15.969 -11.677 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.301 -17.613 -11.574 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.523 -17.820 -11.783 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.041 -16.595 -12.940 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.737 -17.385 -14.923 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.046 -18.965 -15.305 1.00 0.00 H new ATOM 998 N LYS A 63 2.152 -17.991 -9.286 1.00 0.00 N ATOM 999 CA LYS A 63 3.385 -18.086 -8.514 1.00 0.00 C ATOM 1000 C LYS A 63 4.370 -16.998 -8.925 1.00 0.00 C ATOM 1001 O LYS A 63 4.751 -16.899 -10.091 1.00 0.00 O ATOM 1002 CB LYS A 63 4.022 -19.464 -8.700 1.00 0.00 C ATOM 1003 CG LYS A 63 5.268 -19.677 -7.857 1.00 0.00 C ATOM 1004 CD LYS A 63 6.447 -20.119 -8.707 1.00 0.00 C ATOM 1005 CE LYS A 63 6.616 -21.630 -8.682 1.00 0.00 C ATOM 1006 NZ LYS A 63 6.619 -22.164 -7.292 1.00 0.00 N ATOM 0 H LYS A 63 2.038 -18.720 -9.991 1.00 0.00 H new ATOM 0 HA LYS A 63 3.137 -17.947 -7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.289 -20.231 -8.450 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.277 -19.598 -9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.519 -18.752 -7.337 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.067 -20.428 -7.093 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.302 -19.785 -9.734 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.358 -19.644 -8.343 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.809 -22.095 -9.248 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.549 -21.899 -9.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.335 -22.914 -7.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.843 -21.397 -6.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.681 -22.554 -7.068 1.00 0.00 H new ATOM 1020 N GLU A 64 4.779 -16.182 -7.960 1.00 0.00 N ATOM 1021 CA GLU A 64 5.721 -15.099 -8.221 1.00 0.00 C ATOM 1022 C GLU A 64 5.086 -14.025 -9.097 1.00 0.00 C ATOM 1023 O GLU A 64 5.282 -14.003 -10.313 1.00 0.00 O ATOM 1024 CB GLU A 64 6.982 -15.645 -8.894 1.00 0.00 C ATOM 1025 CG GLU A 64 7.586 -16.839 -8.175 1.00 0.00 C ATOM 1026 CD GLU A 64 8.901 -17.284 -8.784 1.00 0.00 C ATOM 1027 OE1 GLU A 64 8.933 -17.533 -10.008 1.00 0.00 O ATOM 1028 OE2 GLU A 64 9.897 -17.383 -8.039 1.00 0.00 O ATOM 0 H GLU A 64 4.473 -16.250 -6.989 1.00 0.00 H new ATOM 0 HA GLU A 64 5.993 -14.648 -7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.742 -15.931 -9.918 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.726 -14.851 -8.951 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.743 -16.585 -7.127 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.879 -17.669 -8.200 1.00 0.00 H new ATOM 1035 N SER A 65 4.323 -13.133 -8.473 1.00 0.00 N ATOM 1036 CA SER A 65 3.658 -12.055 -9.195 1.00 0.00 C ATOM 1037 C SER A 65 4.260 -10.703 -8.829 1.00 0.00 C ATOM 1038 O SER A 65 4.537 -10.431 -7.661 1.00 0.00 O ATOM 1039 CB SER A 65 2.159 -12.059 -8.890 1.00 0.00 C ATOM 1040 OG SER A 65 1.501 -13.112 -9.574 1.00 0.00 O ATOM 0 H SER A 65 4.150 -13.136 -7.468 1.00 0.00 H new ATOM 0 HA SER A 65 3.805 -12.220 -10.262 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.004 -12.166 -7.816 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.723 -11.104 -9.182 1.00 0.00 H new ATOM 0 HG SER A 65 1.526 -13.924 -9.026 1.00 0.00 H new ATOM 1046 N THR A 66 4.457 -9.857 -9.836 1.00 0.00 N ATOM 1047 CA THR A 66 5.025 -8.531 -9.619 1.00 0.00 C ATOM 1048 C THR A 66 3.925 -7.478 -9.534 1.00 0.00 C ATOM 1049 O THR A 66 3.398 -7.032 -10.554 1.00 0.00 O ATOM 1050 CB THR A 66 5.997 -8.181 -10.746 1.00 0.00 C ATOM 1051 OG1 THR A 66 7.142 -9.014 -10.699 1.00 0.00 O ATOM 1052 CG2 THR A 66 6.473 -6.745 -10.701 1.00 0.00 C ATOM 0 H THR A 66 4.232 -10.066 -10.809 1.00 0.00 H new ATOM 0 HA THR A 66 5.566 -8.543 -8.673 1.00 0.00 H new ATOM 0 HB THR A 66 5.436 -8.333 -11.668 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.750 -8.775 -11.429 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.160 -6.563 -11.528 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.617 -6.075 -10.786 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.985 -6.561 -9.757 1.00 0.00 H new ATOM 1060 N ILE A 67 3.583 -7.085 -8.312 1.00 0.00 N ATOM 1061 CA ILE A 67 2.544 -6.085 -8.094 1.00 0.00 C ATOM 1062 C ILE A 67 3.149 -4.740 -7.705 1.00 0.00 C ATOM 1063 O ILE A 67 4.204 -4.681 -7.073 1.00 0.00 O ATOM 1064 CB ILE A 67 1.559 -6.527 -6.996 1.00 0.00 C ATOM 1065 CG1 ILE A 67 0.914 -7.863 -7.370 1.00 0.00 C ATOM 1066 CG2 ILE A 67 0.497 -5.462 -6.775 1.00 0.00 C ATOM 1067 CD1 ILE A 67 1.725 -9.067 -6.943 1.00 0.00 C ATOM 0 H ILE A 67 4.010 -7.443 -7.458 1.00 0.00 H new ATOM 0 HA ILE A 67 2.004 -5.981 -9.035 1.00 0.00 H new ATOM 0 HB ILE A 67 2.110 -6.658 -6.065 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.074 -7.920 -6.914 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.769 -7.897 -8.450 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.191 -5.790 -5.996 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.974 -4.531 -6.469 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.054 -5.300 -7.701 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.207 -9.979 -7.241 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.704 -9.034 -7.420 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.848 -9.057 -5.860 1.00 0.00 H new ATOM 1079 N HIS A 68 2.471 -3.661 -8.084 1.00 0.00 N ATOM 1080 CA HIS A 68 2.940 -2.316 -7.774 1.00 0.00 C ATOM 1081 C HIS A 68 2.246 -1.774 -6.529 1.00 0.00 C ATOM 1082 O HIS A 68 1.018 -1.790 -6.433 1.00 0.00 O ATOM 1083 CB HIS A 68 2.694 -1.381 -8.959 1.00 0.00 C ATOM 1084 CG HIS A 68 3.277 -1.878 -10.245 1.00 0.00 C ATOM 1085 ND1 HIS A 68 3.493 -1.066 -11.338 1.00 0.00 N ATOM 1086 CD2 HIS A 68 3.690 -3.115 -10.610 1.00 0.00 C ATOM 1087 CE1 HIS A 68 4.013 -1.782 -12.320 1.00 0.00 C ATOM 1088 NE2 HIS A 68 4.144 -3.026 -11.904 1.00 0.00 N ATOM 0 H HIS A 68 1.595 -3.692 -8.606 1.00 0.00 H new ATOM 0 HA HIS A 68 4.011 -2.366 -7.579 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.620 -1.243 -9.086 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.116 -0.402 -8.733 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.667 -4.005 -9.999 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.284 -1.411 -13.297 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.521 -3.798 -12.454 1.00 0.00 H new ATOM 1097 N LEU A 69 3.040 -1.296 -5.577 1.00 0.00 N ATOM 1098 CA LEU A 69 2.502 -0.750 -4.336 1.00 0.00 C ATOM 1099 C LEU A 69 2.769 0.743 -4.238 1.00 0.00 C ATOM 1100 O LEU A 69 3.901 1.198 -4.403 1.00 0.00 O ATOM 1101 CB LEU A 69 3.109 -1.471 -3.132 1.00 0.00 C ATOM 1102 CG LEU A 69 2.736 -0.880 -1.771 1.00 0.00 C ATOM 1103 CD1 LEU A 69 1.599 -1.670 -1.141 1.00 0.00 C ATOM 1104 CD2 LEU A 69 3.945 -0.852 -0.852 1.00 0.00 C ATOM 0 H LEU A 69 4.058 -1.275 -5.641 1.00 0.00 H new ATOM 0 HA LEU A 69 1.423 -0.906 -4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.796 -2.515 -3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.194 -1.461 -3.231 1.00 0.00 H new ATOM 0 HG LEU A 69 2.398 0.145 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.347 -1.236 -0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.726 -1.635 -1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.908 -2.706 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.660 -0.428 0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.315 -1.867 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.728 -0.241 -1.300 1.00 0.00 H new ATOM 1116 N VAL A 70 1.715 1.501 -3.968 1.00 0.00 N ATOM 1117 CA VAL A 70 1.823 2.946 -3.845 1.00 0.00 C ATOM 1118 C VAL A 70 1.204 3.430 -2.542 1.00 0.00 C ATOM 1119 O VAL A 70 0.988 2.652 -1.614 1.00 0.00 O ATOM 1120 CB VAL A 70 1.138 3.671 -5.022 1.00 0.00 C ATOM 1121 CG1 VAL A 70 1.986 4.843 -5.491 1.00 0.00 C ATOM 1122 CG2 VAL A 70 0.865 2.708 -6.168 1.00 0.00 C ATOM 0 H VAL A 70 0.773 1.136 -3.830 1.00 0.00 H new ATOM 0 HA VAL A 70 2.887 3.183 -3.855 1.00 0.00 H new ATOM 0 HB VAL A 70 0.180 4.058 -4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.488 5.343 -6.322 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.119 5.548 -4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.960 4.479 -5.818 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.382 3.243 -6.986 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.806 2.283 -6.518 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.212 1.907 -5.822 1.00 0.00 H new ATOM 1132 N LEU A 71 0.922 4.721 -2.489 1.00 0.00 N ATOM 1133 CA LEU A 71 0.325 5.330 -1.307 1.00 0.00 C ATOM 1134 C LEU A 71 -0.939 6.103 -1.675 1.00 0.00 C ATOM 1135 O LEU A 71 -1.032 6.680 -2.757 1.00 0.00 O ATOM 1136 CB LEU A 71 1.327 6.265 -0.626 1.00 0.00 C ATOM 1137 CG LEU A 71 1.346 6.191 0.901 1.00 0.00 C ATOM 1138 CD1 LEU A 71 2.772 6.288 1.422 1.00 0.00 C ATOM 1139 CD2 LEU A 71 0.482 7.291 1.498 1.00 0.00 C ATOM 0 H LEU A 71 1.097 5.373 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 71 0.055 4.532 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.326 6.036 -0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.104 7.290 -0.922 1.00 0.00 H new ATOM 0 HG LEU A 71 0.935 5.228 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.766 6.234 2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.363 5.465 1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.210 7.235 1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.507 7.223 2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.864 8.263 1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.545 7.176 1.151 1.00 0.00 H new ATOM 1151 N ARG A 72 -1.910 6.108 -0.766 1.00 0.00 N ATOM 1152 CA ARG A 72 -3.168 6.809 -0.996 1.00 0.00 C ATOM 1153 C ARG A 72 -2.964 8.320 -0.955 1.00 0.00 C ATOM 1154 O ARG A 72 -2.040 8.814 -0.308 1.00 0.00 O ATOM 1155 CB ARG A 72 -4.206 6.394 0.049 1.00 0.00 C ATOM 1156 CG ARG A 72 -5.573 7.021 -0.169 1.00 0.00 C ATOM 1157 CD ARG A 72 -6.516 6.718 0.984 1.00 0.00 C ATOM 1158 NE ARG A 72 -6.407 7.705 2.055 1.00 0.00 N ATOM 1159 CZ ARG A 72 -5.551 7.605 3.068 1.00 0.00 C ATOM 1160 NH1 ARG A 72 -4.730 6.566 3.145 1.00 0.00 N ATOM 1161 NH2 ARG A 72 -5.516 8.543 4.003 1.00 0.00 N ATOM 0 H ARG A 72 -1.849 5.635 0.136 1.00 0.00 H new ATOM 0 HA ARG A 72 -3.531 6.536 -1.987 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.307 5.309 0.037 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.843 6.670 1.039 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.466 8.100 -0.279 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.002 6.647 -1.099 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.542 6.694 0.616 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.296 5.727 1.381 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.023 8.518 2.024 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.755 5.842 2.427 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.074 6.491 3.923 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.146 9.343 3.947 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.859 8.465 4.779 1.00 0.00 H new ATOM 1175 N LEU A 73 -3.832 9.049 -1.650 1.00 0.00 N ATOM 1176 CA LEU A 73 -3.745 10.504 -1.692 1.00 0.00 C ATOM 1177 C LEU A 73 -3.691 11.086 -0.283 1.00 0.00 C ATOM 1178 O LEU A 73 -4.316 10.563 0.640 1.00 0.00 O ATOM 1179 CB LEU A 73 -4.942 11.085 -2.449 1.00 0.00 C ATOM 1180 CG LEU A 73 -4.686 11.396 -3.926 1.00 0.00 C ATOM 1181 CD1 LEU A 73 -4.150 12.811 -4.086 1.00 0.00 C ATOM 1182 CD2 LEU A 73 -3.718 10.386 -4.524 1.00 0.00 C ATOM 0 H LEU A 73 -4.602 8.656 -2.191 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.827 10.774 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.772 10.382 -2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.258 12.001 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.632 11.323 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.973 13.016 -5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.878 13.522 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.214 12.910 -3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.548 10.623 -5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.771 10.426 -3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.140 9.384 -4.442 1.00 0.00 H new ATOM 1194 N ARG A 74 -2.940 12.171 -0.125 1.00 0.00 N ATOM 1195 CA ARG A 74 -2.804 12.823 1.172 1.00 0.00 C ATOM 1196 C ARG A 74 -3.415 14.221 1.145 1.00 0.00 C ATOM 1197 O ARG A 74 -2.744 15.196 0.808 1.00 0.00 O ATOM 1198 CB ARG A 74 -1.330 12.907 1.572 1.00 0.00 C ATOM 1199 CG ARG A 74 -1.107 12.930 3.075 1.00 0.00 C ATOM 1200 CD ARG A 74 -0.844 14.341 3.576 1.00 0.00 C ATOM 1201 NE ARG A 74 -0.261 14.346 4.915 1.00 0.00 N ATOM 1202 CZ ARG A 74 -0.032 15.453 5.612 1.00 0.00 C ATOM 1203 NH1 ARG A 74 -0.336 16.638 5.099 1.00 0.00 N ATOM 1204 NH2 ARG A 74 0.502 15.377 6.823 1.00 0.00 N ATOM 0 H ARG A 74 -2.417 12.617 -0.878 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.340 12.225 1.909 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.798 12.056 1.147 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.894 13.805 1.135 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.982 12.520 3.580 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.263 12.289 3.329 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.172 14.851 2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.778 14.903 3.585 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.016 13.451 5.338 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.747 16.700 4.167 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.159 17.487 5.636 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.737 14.468 7.220 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.677 16.228 7.357 1.00 0.00 H new ATOM 1218 N GLY A 75 -4.692 14.308 1.503 1.00 0.00 N ATOM 1219 CA GLY A 75 -5.372 15.591 1.513 1.00 0.00 C ATOM 1220 C GLY A 75 -6.828 15.478 1.104 1.00 0.00 C ATOM 1221 O GLY A 75 -7.232 16.013 0.072 1.00 0.00 O ATOM 0 H GLY A 75 -5.268 13.515 1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.311 16.024 2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.860 16.276 0.837 1.00 0.00 H new ATOM 1225 N GLY A 76 -7.616 14.780 1.915 1.00 0.00 N ATOM 1226 CA GLY A 76 -9.026 14.612 1.616 1.00 0.00 C ATOM 1227 C GLY A 76 -9.770 13.887 2.719 1.00 0.00 C ATOM 1228 O GLY A 76 -9.168 12.998 3.358 1.00 0.00 O ATOM 1229 OXT GLY A 76 -10.956 14.207 2.945 1.00 0.00 O ATOM 0 H GLY A 76 -7.303 14.328 2.774 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.480 15.590 1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.133 14.057 0.684 1.00 0.00 H new TER 1233 GLY A 76