USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 614 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 Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.225 K(o=-0.23,f=-1.4!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.164 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 144:sc= 0.247 (180deg=0.00117) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.17 K(o=-0.17,f=-2.4!) USER MOD Single : A 30 ASN : amide:sc= -0.374 X(o=-0.37,f=-0.38) USER MOD Single : A 34 THR OG1 : rot 108:sc= 1.13 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0621 K(o=-0.062,f=-0.97) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -160:sc= -1.26 USER MOD Single : A 71 ASN : amide:sc= -1.77! C(o=-1.8!,f=-2.5!) USER MOD Single : A 72 LYS NZ :NH3+ -150:sc= -0.125 (180deg=-0.607) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc=-0.00971 X(o=-0.0097,f=0) USER MOD Single : A 81 GLN : amide:sc= -0.627 K(o=-0.63,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 3.589 -18.974 2.245 1.00 0.00 N ATOM 2 CA ALA A 2 2.293 -19.325 2.800 1.00 0.00 C ATOM 3 C ALA A 2 1.673 -18.090 3.457 1.00 0.00 C ATOM 4 O ALA A 2 0.669 -17.565 2.978 1.00 0.00 O ATOM 5 CB ALA A 2 2.454 -20.488 3.781 1.00 0.00 C ATOM 0 HA ALA A 2 1.616 -19.655 2.012 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.481 -20.751 4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.870 -21.350 3.259 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.126 -20.194 4.587 1.00 0.00 H new ATOM 11 N ASP A 3 2.296 -17.662 4.545 1.00 0.00 N ATOM 12 CA ASP A 3 1.818 -16.498 5.272 1.00 0.00 C ATOM 13 C ASP A 3 3.014 -15.728 5.836 1.00 0.00 C ATOM 14 O ASP A 3 4.095 -16.291 6.010 1.00 0.00 O ATOM 15 CB ASP A 3 0.927 -16.911 6.446 1.00 0.00 C ATOM 16 CG ASP A 3 0.288 -18.295 6.317 1.00 0.00 C ATOM 17 OD1 ASP A 3 -0.535 -18.456 5.389 1.00 0.00 O ATOM 18 OD2 ASP A 3 0.637 -19.161 7.147 1.00 0.00 O ATOM 0 H ASP A 3 3.128 -18.100 4.941 1.00 0.00 H new ATOM 0 HA ASP A 3 1.243 -15.881 4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.521 -16.885 7.360 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.135 -16.171 6.559 1.00 0.00 H new ATOM 23 N GLU A 4 2.782 -14.453 6.106 1.00 0.00 N ATOM 24 CA GLU A 4 3.827 -13.599 6.646 1.00 0.00 C ATOM 25 C GLU A 4 4.624 -12.953 5.512 1.00 0.00 C ATOM 26 O GLU A 4 5.081 -11.819 5.637 1.00 0.00 O ATOM 27 CB GLU A 4 4.745 -14.384 7.585 1.00 0.00 C ATOM 28 CG GLU A 4 5.179 -13.524 8.774 1.00 0.00 C ATOM 29 CD GLU A 4 4.710 -14.138 10.094 1.00 0.00 C ATOM 30 OE1 GLU A 4 5.088 -15.301 10.346 1.00 0.00 O ATOM 31 OE2 GLU A 4 3.981 -13.429 10.822 1.00 0.00 O ATOM 0 H GLU A 4 1.885 -13.989 5.961 1.00 0.00 H new ATOM 0 HA GLU A 4 3.357 -12.807 7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.228 -15.274 7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.624 -14.725 7.038 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.265 -13.426 8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.769 -12.519 8.670 1.00 0.00 H new ATOM 38 N ALA A 5 4.767 -13.704 4.429 1.00 0.00 N ATOM 39 CA ALA A 5 5.501 -13.220 3.274 1.00 0.00 C ATOM 40 C ALA A 5 4.678 -12.141 2.566 1.00 0.00 C ATOM 41 O ALA A 5 5.145 -11.524 1.610 1.00 0.00 O ATOM 42 CB ALA A 5 5.837 -14.394 2.352 1.00 0.00 C ATOM 0 H ALA A 5 4.386 -14.645 4.328 1.00 0.00 H new ATOM 0 HA ALA A 5 6.443 -12.767 3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.388 -14.030 1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.447 -15.118 2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.915 -14.872 2.021 1.00 0.00 H new ATOM 48 N ILE A 6 3.466 -11.946 3.065 1.00 0.00 N ATOM 49 CA ILE A 6 2.572 -10.952 2.494 1.00 0.00 C ATOM 50 C ILE A 6 2.626 -9.678 3.339 1.00 0.00 C ATOM 51 O ILE A 6 2.812 -8.584 2.810 1.00 0.00 O ATOM 52 CB ILE A 6 1.163 -11.527 2.335 1.00 0.00 C ATOM 53 CG1 ILE A 6 1.038 -12.319 1.032 1.00 0.00 C ATOM 54 CG2 ILE A 6 0.107 -10.425 2.441 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.291 -13.074 0.974 1.00 0.00 C ATOM 0 H ILE A 6 3.082 -12.459 3.858 1.00 0.00 H new ATOM 0 HA ILE A 6 2.895 -10.681 1.489 1.00 0.00 H new ATOM 0 HB ILE A 6 0.983 -12.224 3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.112 -11.641 0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.865 -13.025 0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.886 -10.860 2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.180 -9.944 3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.273 -9.685 1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.354 -13.628 0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.352 -13.769 1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.116 -12.364 1.031 1.00 0.00 H new ATOM 67 N LYS A 7 2.458 -9.863 4.641 1.00 0.00 N ATOM 68 CA LYS A 7 2.485 -8.742 5.564 1.00 0.00 C ATOM 69 C LYS A 7 3.855 -8.066 5.501 1.00 0.00 C ATOM 70 O LYS A 7 3.965 -6.857 5.700 1.00 0.00 O ATOM 71 CB LYS A 7 2.088 -9.198 6.971 1.00 0.00 C ATOM 72 CG LYS A 7 1.062 -8.245 7.587 1.00 0.00 C ATOM 73 CD LYS A 7 1.465 -7.850 9.009 1.00 0.00 C ATOM 74 CE LYS A 7 0.240 -7.459 9.838 1.00 0.00 C ATOM 75 NZ LYS A 7 0.062 -8.393 10.973 1.00 0.00 N ATOM 0 H LYS A 7 2.303 -10.772 5.077 1.00 0.00 H new ATOM 0 HA LYS A 7 1.747 -7.993 5.275 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.674 -10.205 6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.973 -9.245 7.605 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.973 -7.352 6.969 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.081 -8.721 7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.982 -8.681 9.488 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.166 -7.016 8.974 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.356 -6.442 10.211 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.650 -7.468 9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.774 -8.113 11.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.070 -9.359 10.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.905 -8.364 11.582 1.00 0.00 H new ATOM 89 N ASN A 8 4.866 -8.875 5.224 1.00 0.00 N ATOM 90 CA ASN A 8 6.226 -8.371 5.131 1.00 0.00 C ATOM 91 C ASN A 8 6.439 -7.743 3.751 1.00 0.00 C ATOM 92 O ASN A 8 6.816 -6.577 3.648 1.00 0.00 O ATOM 93 CB ASN A 8 7.246 -9.499 5.300 1.00 0.00 C ATOM 94 CG ASN A 8 8.199 -9.207 6.459 1.00 0.00 C ATOM 95 OD1 ASN A 8 8.407 -8.071 6.856 1.00 0.00 O ATOM 96 ND2 ASN A 8 8.768 -10.291 6.978 1.00 0.00 N ATOM 0 H ASN A 8 4.771 -9.877 5.061 1.00 0.00 H new ATOM 0 HA ASN A 8 6.368 -7.636 5.924 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.726 -10.440 5.480 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.815 -9.621 4.378 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.422 -10.201 7.755 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.550 -11.212 6.599 1.00 0.00 H new ATOM 103 N GLY A 9 6.189 -8.545 2.727 1.00 0.00 N ATOM 104 CA GLY A 9 6.349 -8.084 1.358 1.00 0.00 C ATOM 105 C GLY A 9 5.573 -6.786 1.124 1.00 0.00 C ATOM 106 O GLY A 9 6.103 -5.837 0.548 1.00 0.00 O ATOM 0 H GLY A 9 5.877 -9.512 2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.406 -7.924 1.145 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.998 -8.852 0.668 1.00 0.00 H new ATOM 110 N VAL A 10 4.330 -6.788 1.580 1.00 0.00 N ATOM 111 CA VAL A 10 3.474 -5.622 1.426 1.00 0.00 C ATOM 112 C VAL A 10 4.184 -4.395 2.002 1.00 0.00 C ATOM 113 O VAL A 10 4.116 -3.309 1.430 1.00 0.00 O ATOM 114 CB VAL A 10 2.113 -5.884 2.072 1.00 0.00 C ATOM 115 CG1 VAL A 10 1.430 -4.571 2.463 1.00 0.00 C ATOM 116 CG2 VAL A 10 1.218 -6.713 1.149 1.00 0.00 C ATOM 0 H VAL A 10 3.894 -7.578 2.056 1.00 0.00 H new ATOM 0 HA VAL A 10 3.285 -5.423 0.371 1.00 0.00 H new ATOM 0 HB VAL A 10 2.280 -6.460 2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.464 -4.785 2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.057 -4.033 3.174 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.282 -3.959 1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.256 -6.885 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.063 -6.175 0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.696 -7.670 0.942 1.00 0.00 H new ATOM 126 N LEU A 11 4.849 -4.609 3.129 1.00 0.00 N ATOM 127 CA LEU A 11 5.569 -3.535 3.788 1.00 0.00 C ATOM 128 C LEU A 11 6.857 -3.241 3.017 1.00 0.00 C ATOM 129 O LEU A 11 7.159 -2.085 2.721 1.00 0.00 O ATOM 130 CB LEU A 11 5.799 -3.871 5.264 1.00 0.00 C ATOM 131 CG LEU A 11 5.858 -2.679 6.221 1.00 0.00 C ATOM 132 CD1 LEU A 11 4.745 -1.674 5.916 1.00 0.00 C ATOM 133 CD2 LEU A 11 5.826 -3.144 7.678 1.00 0.00 C ATOM 0 H LEU A 11 4.903 -5.511 3.601 1.00 0.00 H new ATOM 0 HA LEU A 11 4.977 -2.620 3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.001 -4.537 5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.733 -4.426 5.349 1.00 0.00 H new ATOM 0 HG LEU A 11 6.807 -2.165 6.067 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.810 -0.837 6.611 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.855 -1.308 4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.776 -2.161 6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.869 -2.277 8.338 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.905 -3.696 7.864 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.682 -3.791 7.872 1.00 0.00 H new ATOM 145 N ASP A 12 7.583 -4.307 2.712 1.00 0.00 N ATOM 146 CA ASP A 12 8.831 -4.178 1.980 1.00 0.00 C ATOM 147 C ASP A 12 8.571 -3.452 0.659 1.00 0.00 C ATOM 148 O ASP A 12 9.377 -2.628 0.230 1.00 0.00 O ATOM 149 CB ASP A 12 9.424 -5.551 1.656 1.00 0.00 C ATOM 150 CG ASP A 12 10.952 -5.623 1.702 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.579 -4.890 0.907 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.458 -6.409 2.533 1.00 0.00 O ATOM 0 H ASP A 12 7.330 -5.264 2.959 1.00 0.00 H new ATOM 0 HA ASP A 12 9.530 -3.620 2.603 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.020 -6.280 2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.091 -5.848 0.662 1.00 0.00 H new ATOM 157 N ILE A 13 7.442 -3.785 0.050 1.00 0.00 N ATOM 158 CA ILE A 13 7.065 -3.175 -1.214 1.00 0.00 C ATOM 159 C ILE A 13 6.566 -1.751 -0.959 1.00 0.00 C ATOM 160 O ILE A 13 6.520 -0.932 -1.876 1.00 0.00 O ATOM 161 CB ILE A 13 6.056 -4.056 -1.954 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.768 -5.078 -2.841 1.00 0.00 C ATOM 163 CG2 ILE A 13 5.061 -3.204 -2.745 1.00 0.00 C ATOM 164 CD1 ILE A 13 6.127 -6.461 -2.709 1.00 0.00 C ATOM 0 H ILE A 13 6.776 -4.469 0.409 1.00 0.00 H new ATOM 0 HA ILE A 13 7.930 -3.098 -1.873 1.00 0.00 H new ATOM 0 HB ILE A 13 5.484 -4.616 -1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.728 -4.753 -3.881 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.821 -5.134 -2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.355 -3.854 -3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.519 -2.550 -2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.599 -2.600 -3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.653 -7.168 -3.350 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.190 -6.794 -1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.081 -6.407 -3.009 1.00 0.00 H new ATOM 176 N LEU A 14 6.208 -1.498 0.291 1.00 0.00 N ATOM 177 CA LEU A 14 5.715 -0.187 0.678 1.00 0.00 C ATOM 178 C LEU A 14 6.898 0.771 0.837 1.00 0.00 C ATOM 179 O LEU A 14 6.960 1.801 0.168 1.00 0.00 O ATOM 180 CB LEU A 14 4.837 -0.292 1.927 1.00 0.00 C ATOM 181 CG LEU A 14 3.377 0.136 1.757 1.00 0.00 C ATOM 182 CD1 LEU A 14 3.254 1.660 1.710 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.750 -0.529 0.530 1.00 0.00 C ATOM 0 H LEU A 14 6.249 -2.179 1.049 1.00 0.00 H new ATOM 0 HA LEU A 14 5.073 0.224 -0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.854 -1.325 2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.284 0.316 2.714 1.00 0.00 H new ATOM 0 HG LEU A 14 2.817 -0.205 2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.207 1.937 1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.637 2.085 2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.831 2.046 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.713 -0.208 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.305 -0.241 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.785 -1.612 0.645 1.00 0.00 H new ATOM 195 N ALA A 15 7.806 0.397 1.726 1.00 0.00 N ATOM 196 CA ALA A 15 8.983 1.209 1.981 1.00 0.00 C ATOM 197 C ALA A 15 9.852 1.250 0.722 1.00 0.00 C ATOM 198 O ALA A 15 10.651 2.168 0.545 1.00 0.00 O ATOM 199 CB ALA A 15 9.735 0.654 3.192 1.00 0.00 C ATOM 0 H ALA A 15 7.750 -0.458 2.279 1.00 0.00 H new ATOM 0 HA ALA A 15 8.698 2.234 2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.618 1.264 3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.084 0.675 4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.040 -0.373 2.992 1.00 0.00 H new ATOM 205 N ASP A 16 9.667 0.243 -0.119 1.00 0.00 N ATOM 206 CA ASP A 16 10.424 0.150 -1.354 1.00 0.00 C ATOM 207 C ASP A 16 9.888 1.179 -2.353 1.00 0.00 C ATOM 208 O ASP A 16 10.662 1.856 -3.028 1.00 0.00 O ATOM 209 CB ASP A 16 10.286 -1.237 -1.984 1.00 0.00 C ATOM 210 CG ASP A 16 11.297 -2.274 -1.493 1.00 0.00 C ATOM 211 OD1 ASP A 16 11.841 -2.058 -0.388 1.00 0.00 O ATOM 212 OD2 ASP A 16 11.504 -3.260 -2.233 1.00 0.00 O ATOM 0 H ASP A 16 9.003 -0.516 0.032 1.00 0.00 H new ATOM 0 HA ASP A 16 11.472 0.336 -1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.281 -1.610 -1.787 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.384 -1.140 -3.065 1.00 0.00 H new ATOM 217 N LEU A 17 8.568 1.263 -2.416 1.00 0.00 N ATOM 218 CA LEU A 17 7.920 2.197 -3.321 1.00 0.00 C ATOM 219 C LEU A 17 8.306 3.626 -2.934 1.00 0.00 C ATOM 220 O LEU A 17 8.828 4.375 -3.758 1.00 0.00 O ATOM 221 CB LEU A 17 6.409 1.954 -3.349 1.00 0.00 C ATOM 222 CG LEU A 17 5.738 2.056 -4.721 1.00 0.00 C ATOM 223 CD1 LEU A 17 4.401 1.316 -4.734 1.00 0.00 C ATOM 224 CD2 LEU A 17 5.590 3.517 -5.150 1.00 0.00 C ATOM 0 H LEU A 17 7.929 0.700 -1.855 1.00 0.00 H new ATOM 0 HA LEU A 17 8.264 2.039 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.213 0.961 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.933 2.671 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 17 6.381 1.569 -5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.946 1.404 -5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.565 0.263 -4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.737 1.752 -3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.111 3.562 -6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.979 4.050 -4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.575 3.981 -5.207 1.00 0.00 H new ATOM 236 N THR A 18 8.033 3.960 -1.681 1.00 0.00 N ATOM 237 CA THR A 18 8.345 5.286 -1.177 1.00 0.00 C ATOM 238 C THR A 18 9.850 5.549 -1.261 1.00 0.00 C ATOM 239 O THR A 18 10.279 6.696 -1.368 1.00 0.00 O ATOM 240 CB THR A 18 7.788 5.394 0.244 1.00 0.00 C ATOM 241 OG1 THR A 18 8.624 4.532 1.011 1.00 0.00 O ATOM 242 CG2 THR A 18 6.395 4.776 0.376 1.00 0.00 C ATOM 0 H THR A 18 7.600 3.336 -1.001 1.00 0.00 H new ATOM 0 HA THR A 18 7.878 6.060 -1.785 1.00 0.00 H new ATOM 0 HB THR A 18 7.749 6.442 0.539 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.334 4.543 1.947 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.047 4.880 1.404 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.705 5.288 -0.294 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.439 3.719 0.113 1.00 0.00 H new ATOM 250 N GLY A 19 10.611 4.465 -1.211 1.00 0.00 N ATOM 251 CA GLY A 19 12.059 4.563 -1.280 1.00 0.00 C ATOM 252 C GLY A 19 12.649 4.934 0.082 1.00 0.00 C ATOM 253 O GLY A 19 13.844 5.207 0.191 1.00 0.00 O ATOM 0 H GLY A 19 10.252 3.514 -1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.476 3.613 -1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.342 5.313 -2.019 1.00 0.00 H new ATOM 257 N SER A 20 11.785 4.931 1.086 1.00 0.00 N ATOM 258 CA SER A 20 12.206 5.264 2.437 1.00 0.00 C ATOM 259 C SER A 20 11.588 4.282 3.435 1.00 0.00 C ATOM 260 O SER A 20 10.695 3.513 3.081 1.00 0.00 O ATOM 261 CB SER A 20 11.820 6.699 2.797 1.00 0.00 C ATOM 262 OG SER A 20 12.908 7.416 3.375 1.00 0.00 O ATOM 0 H SER A 20 10.795 4.703 0.992 1.00 0.00 H new ATOM 0 HA SER A 20 13.292 5.186 2.485 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.479 7.218 1.901 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.983 6.685 3.495 1.00 0.00 H new ATOM 0 HG SER A 20 12.622 8.328 3.589 1.00 0.00 H new ATOM 268 N ASP A 21 12.086 4.340 4.660 1.00 0.00 N ATOM 269 CA ASP A 21 11.594 3.466 5.711 1.00 0.00 C ATOM 270 C ASP A 21 10.853 4.301 6.758 1.00 0.00 C ATOM 271 O ASP A 21 11.416 4.642 7.797 1.00 0.00 O ATOM 272 CB ASP A 21 12.747 2.744 6.412 1.00 0.00 C ATOM 273 CG ASP A 21 12.879 1.258 6.074 1.00 0.00 C ATOM 274 OD1 ASP A 21 11.928 0.728 5.461 1.00 0.00 O ATOM 275 OD2 ASP A 21 13.930 0.685 6.437 1.00 0.00 O ATOM 0 H ASP A 21 12.826 4.979 4.949 1.00 0.00 H new ATOM 0 HA ASP A 21 10.932 2.730 5.255 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.680 3.244 6.153 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.618 2.846 7.490 1.00 0.00 H new ATOM 280 N ASP A 22 9.601 4.606 6.447 1.00 0.00 N ATOM 281 CA ASP A 22 8.778 5.395 7.347 1.00 0.00 C ATOM 282 C ASP A 22 7.459 4.661 7.600 1.00 0.00 C ATOM 283 O ASP A 22 6.998 4.581 8.737 1.00 0.00 O ATOM 284 CB ASP A 22 8.450 6.760 6.740 1.00 0.00 C ATOM 285 CG ASP A 22 8.668 7.953 7.674 1.00 0.00 C ATOM 286 OD1 ASP A 22 8.899 7.698 8.875 1.00 0.00 O ATOM 287 OD2 ASP A 22 8.600 9.092 7.165 1.00 0.00 O ATOM 0 H ASP A 22 9.137 4.321 5.584 1.00 0.00 H new ATOM 0 HA ASP A 22 9.333 5.537 8.274 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.060 6.900 5.848 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.409 6.756 6.417 1.00 0.00 H new ATOM 292 N VAL A 23 6.891 4.144 6.520 1.00 0.00 N ATOM 293 CA VAL A 23 5.634 3.419 6.611 1.00 0.00 C ATOM 294 C VAL A 23 5.904 2.004 7.127 1.00 0.00 C ATOM 295 O VAL A 23 4.978 1.296 7.519 1.00 0.00 O ATOM 296 CB VAL A 23 4.922 3.437 5.258 1.00 0.00 C ATOM 297 CG1 VAL A 23 4.828 4.860 4.706 1.00 0.00 C ATOM 298 CG2 VAL A 23 5.616 2.507 4.261 1.00 0.00 C ATOM 0 H VAL A 23 7.277 4.212 5.578 1.00 0.00 H new ATOM 0 HA VAL A 23 4.964 3.902 7.322 1.00 0.00 H new ATOM 0 HB VAL A 23 3.907 3.069 5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.317 4.844 3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.269 5.484 5.403 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.831 5.268 4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.090 2.538 3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.647 2.831 4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.607 1.488 4.647 1.00 0.00 H new ATOM 308 N LYS A 24 7.176 1.633 7.110 1.00 0.00 N ATOM 309 CA LYS A 24 7.578 0.316 7.571 1.00 0.00 C ATOM 310 C LYS A 24 7.285 0.192 9.067 1.00 0.00 C ATOM 311 O LYS A 24 6.889 -0.872 9.540 1.00 0.00 O ATOM 312 CB LYS A 24 9.039 0.043 7.207 1.00 0.00 C ATOM 313 CG LYS A 24 9.513 -1.285 7.799 1.00 0.00 C ATOM 314 CD LYS A 24 10.237 -1.065 9.128 1.00 0.00 C ATOM 315 CE LYS A 24 10.384 -2.380 9.897 1.00 0.00 C ATOM 316 NZ LYS A 24 9.233 -2.580 10.806 1.00 0.00 N ATOM 0 H LYS A 24 7.942 2.223 6.784 1.00 0.00 H new ATOM 0 HA LYS A 24 6.998 -0.457 7.067 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.149 0.022 6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.667 0.854 7.576 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.659 -1.945 7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.180 -1.783 7.096 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.222 -0.636 8.943 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.684 -0.346 9.733 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.451 -3.212 9.196 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.311 -2.371 10.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.992 -3.591 10.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.482 -2.248 11.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.415 -2.042 10.454 1.00 0.00 H new ATOM 330 N LYS A 25 7.489 1.296 9.772 1.00 0.00 N ATOM 331 CA LYS A 25 7.251 1.325 11.204 1.00 0.00 C ATOM 332 C LYS A 25 5.847 1.867 11.473 1.00 0.00 C ATOM 333 O LYS A 25 5.111 1.319 12.293 1.00 0.00 O ATOM 334 CB LYS A 25 8.359 2.104 11.916 1.00 0.00 C ATOM 335 CG LYS A 25 8.290 3.593 11.570 1.00 0.00 C ATOM 336 CD LYS A 25 7.310 4.325 12.489 1.00 0.00 C ATOM 337 CE LYS A 25 8.052 5.072 13.599 1.00 0.00 C ATOM 338 NZ LYS A 25 8.026 6.530 13.348 1.00 0.00 N ATOM 0 H LYS A 25 7.817 2.177 9.377 1.00 0.00 H new ATOM 0 HA LYS A 25 7.287 0.317 11.616 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.266 1.973 12.994 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.332 1.705 11.629 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.281 4.037 11.662 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.981 3.715 10.532 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.716 5.029 11.906 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.615 3.610 12.929 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.592 4.854 14.563 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.084 4.724 13.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.534 7.023 14.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.486 6.734 12.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.040 6.860 13.319 1.00 0.00 H new ATOM 352 N ASN A 26 5.516 2.939 10.768 1.00 0.00 N ATOM 353 CA ASN A 26 4.213 3.563 10.920 1.00 0.00 C ATOM 354 C ASN A 26 3.162 2.723 10.192 1.00 0.00 C ATOM 355 O ASN A 26 3.435 2.163 9.131 1.00 0.00 O ATOM 356 CB ASN A 26 4.199 4.967 10.313 1.00 0.00 C ATOM 357 CG ASN A 26 3.407 5.937 11.191 1.00 0.00 C ATOM 358 OD1 ASN A 26 2.188 5.975 11.175 1.00 0.00 O ATOM 359 ND2 ASN A 26 4.167 6.717 11.955 1.00 0.00 N ATOM 0 H ASN A 26 6.129 3.391 10.089 1.00 0.00 H new ATOM 0 HA ASN A 26 3.994 3.629 11.986 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.221 5.327 10.198 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.759 4.932 9.316 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.734 7.400 12.577 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.183 6.632 11.919 1.00 0.00 H new ATOM 366 N LEU A 27 1.981 2.661 10.791 1.00 0.00 N ATOM 367 CA LEU A 27 0.889 1.898 10.212 1.00 0.00 C ATOM 368 C LEU A 27 -0.300 2.828 9.959 1.00 0.00 C ATOM 369 O LEU A 27 -1.450 2.394 9.986 1.00 0.00 O ATOM 370 CB LEU A 27 0.550 0.694 11.094 1.00 0.00 C ATOM 371 CG LEU A 27 1.676 -0.319 11.310 1.00 0.00 C ATOM 372 CD1 LEU A 27 1.558 -0.987 12.681 1.00 0.00 C ATOM 373 CD2 LEU A 27 1.719 -1.342 10.174 1.00 0.00 C ATOM 0 H LEU A 27 1.757 3.126 11.671 1.00 0.00 H new ATOM 0 HA LEU A 27 1.183 1.485 9.247 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.228 1.062 12.068 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.300 0.174 10.653 1.00 0.00 H new ATOM 0 HG LEU A 27 2.625 0.217 11.295 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.371 -1.702 12.808 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.617 -0.228 13.462 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.603 -1.507 12.751 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.528 -2.050 10.352 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.771 -1.878 10.131 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.889 -0.828 9.228 1.00 0.00 H new ATOM 385 N ASP A 28 0.020 4.091 9.719 1.00 0.00 N ATOM 386 CA ASP A 28 -1.006 5.087 9.462 1.00 0.00 C ATOM 387 C ASP A 28 -0.355 6.345 8.884 1.00 0.00 C ATOM 388 O ASP A 28 -0.845 7.454 9.095 1.00 0.00 O ATOM 389 CB ASP A 28 -1.731 5.478 10.751 1.00 0.00 C ATOM 390 CG ASP A 28 -3.246 5.271 10.729 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.749 4.870 9.657 1.00 0.00 O ATOM 392 OD2 ASP A 28 -3.868 5.517 11.785 1.00 0.00 O ATOM 0 H ASP A 28 0.975 4.447 9.697 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.724 4.659 8.762 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.312 4.900 11.575 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.526 6.528 10.961 1.00 0.00 H new ATOM 397 N LEU A 29 0.738 6.133 8.168 1.00 0.00 N ATOM 398 CA LEU A 29 1.461 7.237 7.559 1.00 0.00 C ATOM 399 C LEU A 29 0.887 7.511 6.168 1.00 0.00 C ATOM 400 O LEU A 29 1.241 6.836 5.202 1.00 0.00 O ATOM 401 CB LEU A 29 2.965 6.958 7.559 1.00 0.00 C ATOM 402 CG LEU A 29 3.857 8.087 7.041 1.00 0.00 C ATOM 403 CD1 LEU A 29 4.183 9.084 8.153 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.121 7.529 6.383 1.00 0.00 C ATOM 0 H LEU A 29 1.142 5.212 7.995 1.00 0.00 H new ATOM 0 HA LEU A 29 1.329 8.147 8.144 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.270 6.719 8.578 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.150 6.070 6.955 1.00 0.00 H new ATOM 0 HG LEU A 29 3.307 8.631 6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.818 9.876 7.757 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.259 9.517 8.536 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.704 8.570 8.961 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.738 8.353 6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.684 6.946 7.112 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.843 6.891 5.544 1.00 0.00 H new ATOM 416 N ASN A 30 0.010 8.503 6.110 1.00 0.00 N ATOM 417 CA ASN A 30 -0.616 8.876 4.852 1.00 0.00 C ATOM 418 C ASN A 30 0.414 8.781 3.726 1.00 0.00 C ATOM 419 O ASN A 30 1.418 9.493 3.736 1.00 0.00 O ATOM 420 CB ASN A 30 -1.134 10.314 4.899 1.00 0.00 C ATOM 421 CG ASN A 30 -1.854 10.595 6.220 1.00 0.00 C ATOM 422 OD1 ASN A 30 -1.486 11.474 6.982 1.00 0.00 O ATOM 423 ND2 ASN A 30 -2.895 9.801 6.448 1.00 0.00 N ATOM 0 H ASN A 30 -0.282 9.060 6.913 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.451 8.198 4.678 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.302 11.008 4.779 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.815 10.486 4.066 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.440 9.908 7.303 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.149 9.085 5.768 1.00 0.00 H new ATOM 430 N LEU A 31 0.132 7.895 2.781 1.00 0.00 N ATOM 431 CA LEU A 31 1.023 7.698 1.650 1.00 0.00 C ATOM 432 C LEU A 31 0.759 8.782 0.604 1.00 0.00 C ATOM 433 O LEU A 31 1.352 8.768 -0.474 1.00 0.00 O ATOM 434 CB LEU A 31 0.891 6.274 1.107 1.00 0.00 C ATOM 435 CG LEU A 31 1.343 5.153 2.045 1.00 0.00 C ATOM 436 CD1 LEU A 31 0.712 3.817 1.648 1.00 0.00 C ATOM 437 CD2 LEU A 31 2.870 5.071 2.106 1.00 0.00 C ATOM 0 H LEU A 31 -0.701 7.306 2.776 1.00 0.00 H new ATOM 0 HA LEU A 31 2.063 7.801 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.153 6.102 0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.468 6.203 0.185 1.00 0.00 H new ATOM 0 HG LEU A 31 0.993 5.387 3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.050 3.038 2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.374 3.898 1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.010 3.562 0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.165 4.266 2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.264 4.872 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.271 6.016 2.473 1.00 0.00 H new ATOM 449 N PHE A 32 -0.132 9.697 0.958 1.00 0.00 N ATOM 450 CA PHE A 32 -0.482 10.787 0.063 1.00 0.00 C ATOM 451 C PHE A 32 -0.320 12.141 0.758 1.00 0.00 C ATOM 452 O PHE A 32 0.177 13.094 0.160 1.00 0.00 O ATOM 453 CB PHE A 32 -1.950 10.597 -0.321 1.00 0.00 C ATOM 454 CG PHE A 32 -2.159 9.759 -1.584 1.00 0.00 C ATOM 455 CD1 PHE A 32 -1.913 8.422 -1.562 1.00 0.00 C ATOM 456 CD2 PHE A 32 -2.593 10.352 -2.729 1.00 0.00 C ATOM 457 CE1 PHE A 32 -2.107 7.645 -2.735 1.00 0.00 C ATOM 458 CE2 PHE A 32 -2.787 9.575 -3.902 1.00 0.00 C ATOM 459 CZ PHE A 32 -2.540 8.237 -3.880 1.00 0.00 C ATOM 0 H PHE A 32 -0.622 9.706 1.853 1.00 0.00 H new ATOM 0 HA PHE A 32 0.171 10.776 -0.809 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.473 10.122 0.509 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.406 11.576 -0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.570 7.951 -0.653 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.790 11.414 -2.746 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.910 6.583 -2.718 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.130 10.046 -4.811 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.688 7.646 -4.772 1.00 0.00 H new ATOM 469 N GLU A 33 -0.748 12.182 2.011 1.00 0.00 N ATOM 470 CA GLU A 33 -0.657 13.403 2.794 1.00 0.00 C ATOM 471 C GLU A 33 0.787 13.640 3.240 1.00 0.00 C ATOM 472 O GLU A 33 1.126 14.728 3.702 1.00 0.00 O ATOM 473 CB GLU A 33 -1.602 13.355 3.997 1.00 0.00 C ATOM 474 CG GLU A 33 -2.396 14.656 4.120 1.00 0.00 C ATOM 475 CD GLU A 33 -1.998 15.424 5.383 1.00 0.00 C ATOM 476 OE1 GLU A 33 -0.780 15.661 5.542 1.00 0.00 O ATOM 477 OE2 GLU A 33 -2.918 15.755 6.160 1.00 0.00 O ATOM 0 H GLU A 33 -1.159 11.389 2.504 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.965 14.239 2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.288 12.514 3.892 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.028 13.187 4.909 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.221 15.277 3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.463 14.434 4.146 1.00 0.00 H new ATOM 484 N THR A 34 1.599 12.604 3.086 1.00 0.00 N ATOM 485 CA THR A 34 2.998 12.687 3.467 1.00 0.00 C ATOM 486 C THR A 34 3.868 12.976 2.243 1.00 0.00 C ATOM 487 O THR A 34 5.038 13.334 2.379 1.00 0.00 O ATOM 488 CB THR A 34 3.371 11.387 4.184 1.00 0.00 C ATOM 489 OG1 THR A 34 2.452 11.316 5.271 1.00 0.00 O ATOM 490 CG2 THR A 34 4.741 11.463 4.859 1.00 0.00 C ATOM 0 H THR A 34 1.314 11.703 2.702 1.00 0.00 H new ATOM 0 HA THR A 34 3.172 13.516 4.153 1.00 0.00 H new ATOM 0 HB THR A 34 3.364 10.563 3.470 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.790 10.615 5.095 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.956 10.515 5.353 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.506 11.663 4.109 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.739 12.265 5.598 1.00 0.00 H new ATOM 498 N GLY A 35 3.266 12.810 1.075 1.00 0.00 N ATOM 499 CA GLY A 35 3.971 13.048 -0.172 1.00 0.00 C ATOM 500 C GLY A 35 4.761 11.810 -0.600 1.00 0.00 C ATOM 501 O GLY A 35 5.393 11.807 -1.656 1.00 0.00 O ATOM 0 H GLY A 35 2.296 12.513 0.966 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.258 13.316 -0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.649 13.894 -0.055 1.00 0.00 H new ATOM 505 N LEU A 36 4.699 10.788 0.240 1.00 0.00 N ATOM 506 CA LEU A 36 5.402 9.546 -0.038 1.00 0.00 C ATOM 507 C LEU A 36 4.912 8.977 -1.370 1.00 0.00 C ATOM 508 O LEU A 36 5.711 8.513 -2.183 1.00 0.00 O ATOM 509 CB LEU A 36 5.260 8.576 1.136 1.00 0.00 C ATOM 510 CG LEU A 36 6.126 8.875 2.362 1.00 0.00 C ATOM 511 CD1 LEU A 36 7.442 8.097 2.306 1.00 0.00 C ATOM 512 CD2 LEU A 36 6.355 10.380 2.517 1.00 0.00 C ATOM 0 H LEU A 36 4.173 10.794 1.114 1.00 0.00 H new ATOM 0 HA LEU A 36 6.472 9.727 -0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.216 8.564 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.499 7.573 0.783 1.00 0.00 H new ATOM 0 HG LEU A 36 5.591 8.538 3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.039 8.327 3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.232 7.028 2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.995 8.381 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.973 10.565 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.860 10.764 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.396 10.884 2.636 1.00 0.00 H new ATOM 524 N LEU A 37 3.601 9.028 -1.553 1.00 0.00 N ATOM 525 CA LEU A 37 2.995 8.522 -2.773 1.00 0.00 C ATOM 526 C LEU A 37 2.153 9.627 -3.415 1.00 0.00 C ATOM 527 O LEU A 37 1.579 10.461 -2.717 1.00 0.00 O ATOM 528 CB LEU A 37 2.211 7.239 -2.490 1.00 0.00 C ATOM 529 CG LEU A 37 2.397 6.104 -3.498 1.00 0.00 C ATOM 530 CD1 LEU A 37 2.261 6.617 -4.933 1.00 0.00 C ATOM 531 CD2 LEU A 37 3.727 5.381 -3.272 1.00 0.00 C ATOM 0 H LEU A 37 2.941 9.412 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 37 3.764 8.246 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.496 6.873 -1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.151 7.487 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 37 1.603 5.374 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.398 5.790 -5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.270 7.049 -5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.018 7.378 -5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.834 4.579 -4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.549 6.087 -3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.747 4.961 -2.266 1.00 0.00 H new ATOM 543 N ASP A 38 2.108 9.598 -4.739 1.00 0.00 N ATOM 544 CA ASP A 38 1.346 10.587 -5.484 1.00 0.00 C ATOM 545 C ASP A 38 0.133 9.911 -6.126 1.00 0.00 C ATOM 546 O ASP A 38 -1.007 10.277 -5.845 1.00 0.00 O ATOM 547 CB ASP A 38 2.190 11.204 -6.600 1.00 0.00 C ATOM 548 CG ASP A 38 2.591 12.664 -6.376 1.00 0.00 C ATOM 549 OD1 ASP A 38 1.749 13.406 -5.826 1.00 0.00 O ATOM 550 OD2 ASP A 38 3.732 13.004 -6.759 1.00 0.00 O ATOM 0 H ASP A 38 2.587 8.906 -5.315 1.00 0.00 H new ATOM 0 HA ASP A 38 1.038 11.369 -4.790 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.095 10.609 -6.722 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.635 11.135 -7.535 1.00 0.00 H new ATOM 555 N SER A 39 0.420 8.938 -6.978 1.00 0.00 N ATOM 556 CA SER A 39 -0.634 8.208 -7.663 1.00 0.00 C ATOM 557 C SER A 39 -0.024 7.131 -8.562 1.00 0.00 C ATOM 558 O SER A 39 -0.369 5.955 -8.451 1.00 0.00 O ATOM 559 CB SER A 39 -1.512 9.152 -8.486 1.00 0.00 C ATOM 560 OG SER A 39 -2.531 8.452 -9.195 1.00 0.00 O ATOM 0 H SER A 39 1.367 8.638 -7.210 1.00 0.00 H new ATOM 0 HA SER A 39 -1.265 7.732 -6.912 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.970 9.888 -7.826 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.890 9.701 -9.193 1.00 0.00 H new ATOM 0 HG SER A 39 -3.071 9.090 -9.707 1.00 0.00 H new ATOM 566 N MET A 40 0.870 7.570 -9.435 1.00 0.00 N ATOM 567 CA MET A 40 1.530 6.658 -10.354 1.00 0.00 C ATOM 568 C MET A 40 2.146 5.475 -9.604 1.00 0.00 C ATOM 569 O MET A 40 2.225 4.370 -10.139 1.00 0.00 O ATOM 570 CB MET A 40 2.626 7.405 -11.116 1.00 0.00 C ATOM 571 CG MET A 40 2.539 7.125 -12.618 1.00 0.00 C ATOM 572 SD MET A 40 3.517 5.690 -13.029 1.00 0.00 S ATOM 573 CE MET A 40 2.280 4.695 -13.845 1.00 0.00 C ATOM 0 H MET A 40 1.153 8.546 -9.526 1.00 0.00 H new ATOM 0 HA MET A 40 0.786 6.275 -11.052 1.00 0.00 H new ATOM 0 HB2 MET A 40 2.533 8.476 -10.936 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.604 7.103 -10.742 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.501 6.962 -12.906 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.894 7.990 -13.179 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.725 3.754 -14.169 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.463 4.491 -13.153 1.00 0.00 H new ATOM 0 HE3 MET A 40 1.895 5.232 -14.712 1.00 0.00 H new ATOM 583 N GLY A 41 2.565 5.747 -8.377 1.00 0.00 N ATOM 584 CA GLY A 41 3.171 4.719 -7.548 1.00 0.00 C ATOM 585 C GLY A 41 2.134 3.679 -7.118 1.00 0.00 C ATOM 586 O GLY A 41 2.431 2.487 -7.063 1.00 0.00 O ATOM 0 H GLY A 41 2.497 6.665 -7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.975 4.230 -8.098 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.620 5.176 -6.666 1.00 0.00 H new ATOM 590 N THR A 42 0.938 4.170 -6.825 1.00 0.00 N ATOM 591 CA THR A 42 -0.145 3.298 -6.402 1.00 0.00 C ATOM 592 C THR A 42 -0.481 2.292 -7.504 1.00 0.00 C ATOM 593 O THR A 42 -1.027 1.224 -7.229 1.00 0.00 O ATOM 594 CB THR A 42 -1.329 4.178 -6.000 1.00 0.00 C ATOM 595 OG1 THR A 42 -1.498 3.919 -4.608 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.645 3.711 -6.627 1.00 0.00 C ATOM 0 H THR A 42 0.696 5.160 -6.872 1.00 0.00 H new ATOM 0 HA THR A 42 0.142 2.700 -5.537 1.00 0.00 H new ATOM 0 HB THR A 42 -1.131 5.209 -6.295 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.246 4.451 -4.265 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.453 4.370 -6.309 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.560 3.738 -7.713 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.860 2.692 -6.305 1.00 0.00 H new ATOM 604 N VAL A 43 -0.141 2.668 -8.728 1.00 0.00 N ATOM 605 CA VAL A 43 -0.400 1.810 -9.873 1.00 0.00 C ATOM 606 C VAL A 43 0.540 0.605 -9.826 1.00 0.00 C ATOM 607 O VAL A 43 0.091 -0.539 -9.866 1.00 0.00 O ATOM 608 CB VAL A 43 -0.276 2.616 -11.167 1.00 0.00 C ATOM 609 CG1 VAL A 43 -0.418 1.710 -12.392 1.00 0.00 C ATOM 610 CG2 VAL A 43 -1.297 3.754 -11.206 1.00 0.00 C ATOM 0 H VAL A 43 0.311 3.554 -8.952 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.420 1.426 -9.841 1.00 0.00 H new ATOM 0 HB VAL A 43 0.719 3.060 -11.191 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.326 2.307 -13.299 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.365 0.951 -12.376 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.394 1.225 -12.375 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.186 4.310 -12.137 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.304 3.341 -11.147 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.129 4.422 -10.362 1.00 0.00 H new ATOM 620 N GLN A 44 1.829 0.903 -9.742 1.00 0.00 N ATOM 621 CA GLN A 44 2.837 -0.143 -9.689 1.00 0.00 C ATOM 622 C GLN A 44 2.593 -1.054 -8.485 1.00 0.00 C ATOM 623 O GLN A 44 2.549 -2.276 -8.626 1.00 0.00 O ATOM 624 CB GLN A 44 4.244 0.456 -9.648 1.00 0.00 C ATOM 625 CG GLN A 44 5.303 -0.616 -9.918 1.00 0.00 C ATOM 626 CD GLN A 44 6.495 -0.029 -10.676 1.00 0.00 C ATOM 627 OE1 GLN A 44 6.720 1.170 -10.701 1.00 0.00 O ATOM 628 NE2 GLN A 44 7.246 -0.939 -11.291 1.00 0.00 N ATOM 0 H GLN A 44 2.198 1.853 -9.709 1.00 0.00 H new ATOM 0 HA GLN A 44 2.759 -0.744 -10.595 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.327 1.250 -10.390 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.422 0.911 -8.673 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.642 -1.043 -8.974 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.864 -1.429 -10.497 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.002 -1.927 -11.230 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.066 -0.648 -11.823 1.00 0.00 H new ATOM 637 N LEU A 45 2.441 -0.426 -7.328 1.00 0.00 N ATOM 638 CA LEU A 45 2.203 -1.166 -6.100 1.00 0.00 C ATOM 639 C LEU A 45 1.098 -2.197 -6.337 1.00 0.00 C ATOM 640 O LEU A 45 1.152 -3.305 -5.806 1.00 0.00 O ATOM 641 CB LEU A 45 1.912 -0.207 -4.945 1.00 0.00 C ATOM 642 CG LEU A 45 0.578 -0.410 -4.224 1.00 0.00 C ATOM 643 CD1 LEU A 45 0.544 -1.759 -3.503 1.00 0.00 C ATOM 644 CD2 LEU A 45 0.283 0.754 -3.276 1.00 0.00 C ATOM 0 H LEU A 45 2.478 0.587 -7.215 1.00 0.00 H new ATOM 0 HA LEU A 45 3.097 -1.718 -5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.715 -0.297 -4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.943 0.813 -5.329 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.215 -0.424 -4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.415 -1.878 -2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.675 -2.562 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.348 -1.799 -2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.671 0.584 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.075 0.826 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.234 1.683 -3.844 1.00 0.00 H new ATOM 656 N LEU A 46 0.120 -1.795 -7.137 1.00 0.00 N ATOM 657 CA LEU A 46 -0.997 -2.670 -7.450 1.00 0.00 C ATOM 658 C LEU A 46 -0.495 -3.852 -8.281 1.00 0.00 C ATOM 659 O LEU A 46 -0.988 -4.970 -8.137 1.00 0.00 O ATOM 660 CB LEU A 46 -2.124 -1.881 -8.121 1.00 0.00 C ATOM 661 CG LEU A 46 -3.311 -1.515 -7.228 1.00 0.00 C ATOM 662 CD1 LEU A 46 -4.253 -0.543 -7.941 1.00 0.00 C ATOM 663 CD2 LEU A 46 -4.040 -2.769 -6.743 1.00 0.00 C ATOM 0 H LEU A 46 0.079 -0.876 -7.577 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.427 -3.081 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.704 -0.961 -8.528 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.495 -2.463 -8.965 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.929 -1.004 -6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.088 -0.299 -7.285 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.712 0.369 -8.194 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.631 -1.005 -8.853 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.879 -2.480 -6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.409 -3.330 -7.601 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.352 -3.392 -6.171 1.00 0.00 H new ATOM 675 N LEU A 47 0.480 -3.566 -9.131 1.00 0.00 N ATOM 676 CA LEU A 47 1.054 -4.592 -9.985 1.00 0.00 C ATOM 677 C LEU A 47 1.708 -5.666 -9.114 1.00 0.00 C ATOM 678 O LEU A 47 1.628 -6.855 -9.423 1.00 0.00 O ATOM 679 CB LEU A 47 2.005 -3.967 -11.008 1.00 0.00 C ATOM 680 CG LEU A 47 1.890 -4.494 -12.440 1.00 0.00 C ATOM 681 CD1 LEU A 47 2.355 -5.949 -12.527 1.00 0.00 C ATOM 682 CD2 LEU A 47 0.469 -4.314 -12.978 1.00 0.00 C ATOM 0 H LEU A 47 0.887 -2.638 -9.247 1.00 0.00 H new ATOM 0 HA LEU A 47 0.275 -5.083 -10.567 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.834 -2.891 -11.023 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.028 -4.122 -10.666 1.00 0.00 H new ATOM 0 HG LEU A 47 2.552 -3.905 -13.075 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.263 -6.299 -13.555 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.396 -6.018 -12.212 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.737 -6.568 -11.876 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.415 -4.697 -13.997 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.231 -4.862 -12.347 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.210 -3.255 -12.974 1.00 0.00 H new ATOM 694 N GLU A 48 2.341 -5.210 -8.043 1.00 0.00 N ATOM 695 CA GLU A 48 3.008 -6.117 -7.126 1.00 0.00 C ATOM 696 C GLU A 48 1.984 -6.800 -6.215 1.00 0.00 C ATOM 697 O GLU A 48 2.215 -7.911 -5.740 1.00 0.00 O ATOM 698 CB GLU A 48 4.069 -5.383 -6.303 1.00 0.00 C ATOM 699 CG GLU A 48 5.476 -5.857 -6.675 1.00 0.00 C ATOM 700 CD GLU A 48 6.153 -4.867 -7.626 1.00 0.00 C ATOM 701 OE1 GLU A 48 5.458 -4.410 -8.559 1.00 0.00 O ATOM 702 OE2 GLU A 48 7.350 -4.590 -7.397 1.00 0.00 O ATOM 0 H GLU A 48 2.406 -4.224 -7.790 1.00 0.00 H new ATOM 0 HA GLU A 48 3.515 -6.885 -7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.987 -4.309 -6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.893 -5.553 -5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.077 -5.969 -5.772 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.421 -6.839 -7.145 1.00 0.00 H new ATOM 709 N LEU A 49 0.876 -6.107 -6.000 1.00 0.00 N ATOM 710 CA LEU A 49 -0.183 -6.632 -5.155 1.00 0.00 C ATOM 711 C LEU A 49 -1.070 -7.567 -5.980 1.00 0.00 C ATOM 712 O LEU A 49 -1.915 -8.274 -5.430 1.00 0.00 O ATOM 713 CB LEU A 49 -0.950 -5.491 -4.485 1.00 0.00 C ATOM 714 CG LEU A 49 -0.340 -4.941 -3.193 1.00 0.00 C ATOM 715 CD1 LEU A 49 -1.340 -4.054 -2.450 1.00 0.00 C ATOM 716 CD2 LEU A 49 0.188 -6.074 -2.311 1.00 0.00 C ATOM 0 H LEU A 49 0.688 -5.186 -6.396 1.00 0.00 H new ATOM 0 HA LEU A 49 0.237 -7.224 -4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.040 -4.672 -5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.961 -5.837 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 49 0.512 -4.315 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.882 -3.676 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.626 -3.216 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.226 -4.637 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.616 -5.656 -1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.631 -6.746 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.955 -6.628 -2.851 1.00 0.00 H new ATOM 728 N GLN A 50 -0.849 -7.542 -7.286 1.00 0.00 N ATOM 729 CA GLN A 50 -1.617 -8.379 -8.192 1.00 0.00 C ATOM 730 C GLN A 50 -0.722 -9.456 -8.808 1.00 0.00 C ATOM 731 O GLN A 50 -1.090 -10.079 -9.803 1.00 0.00 O ATOM 732 CB GLN A 50 -2.290 -7.537 -9.278 1.00 0.00 C ATOM 733 CG GLN A 50 -3.275 -8.379 -10.092 1.00 0.00 C ATOM 734 CD GLN A 50 -4.257 -7.487 -10.855 1.00 0.00 C ATOM 735 OE1 GLN A 50 -3.948 -6.376 -11.251 1.00 0.00 O ATOM 736 NE2 GLN A 50 -5.455 -8.035 -11.037 1.00 0.00 N ATOM 0 H GLN A 50 -0.149 -6.955 -7.739 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.404 -8.872 -7.621 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.815 -6.698 -8.820 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.532 -7.117 -9.939 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.728 -9.008 -10.794 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.824 -9.046 -9.428 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.648 -8.971 -10.679 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.181 -7.520 -11.534 1.00 0.00 H new ATOM 745 N SER A 51 0.436 -9.642 -8.192 1.00 0.00 N ATOM 746 CA SER A 51 1.387 -10.632 -8.668 1.00 0.00 C ATOM 747 C SER A 51 1.693 -11.639 -7.557 1.00 0.00 C ATOM 748 O SER A 51 1.490 -12.839 -7.730 1.00 0.00 O ATOM 749 CB SER A 51 2.677 -9.968 -9.154 1.00 0.00 C ATOM 750 OG SER A 51 2.771 -9.961 -10.575 1.00 0.00 O ATOM 0 H SER A 51 0.737 -9.124 -7.367 1.00 0.00 H new ATOM 0 HA SER A 51 0.941 -11.157 -9.513 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.720 -8.944 -8.783 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.535 -10.494 -8.737 1.00 0.00 H new ATOM 0 HG SER A 51 3.607 -9.527 -10.845 1.00 0.00 H new ATOM 756 N GLN A 52 2.177 -11.112 -6.442 1.00 0.00 N ATOM 757 CA GLN A 52 2.514 -11.950 -5.303 1.00 0.00 C ATOM 758 C GLN A 52 1.268 -12.218 -4.456 1.00 0.00 C ATOM 759 O GLN A 52 1.209 -13.209 -3.729 1.00 0.00 O ATOM 760 CB GLN A 52 3.622 -11.314 -4.463 1.00 0.00 C ATOM 761 CG GLN A 52 4.917 -11.189 -5.269 1.00 0.00 C ATOM 762 CD GLN A 52 5.850 -12.369 -4.994 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.604 -13.495 -5.396 1.00 0.00 O ATOM 764 NE2 GLN A 52 6.932 -12.052 -4.288 1.00 0.00 N ATOM 0 H GLN A 52 2.344 -10.115 -6.303 1.00 0.00 H new ATOM 0 HA GLN A 52 2.889 -12.903 -5.675 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.305 -10.328 -4.122 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.800 -11.917 -3.573 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.684 -11.145 -6.333 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.420 -10.256 -5.014 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.078 -11.090 -3.982 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.616 -12.771 -4.052 1.00 0.00 H new ATOM 773 N PHE A 53 0.304 -11.317 -4.577 1.00 0.00 N ATOM 774 CA PHE A 53 -0.937 -11.444 -3.830 1.00 0.00 C ATOM 775 C PHE A 53 -2.132 -11.582 -4.774 1.00 0.00 C ATOM 776 O PHE A 53 -3.217 -11.985 -4.354 1.00 0.00 O ATOM 777 CB PHE A 53 -1.097 -10.165 -3.007 1.00 0.00 C ATOM 778 CG PHE A 53 0.204 -9.667 -2.374 1.00 0.00 C ATOM 779 CD1 PHE A 53 1.172 -9.113 -3.153 1.00 0.00 C ATOM 780 CD2 PHE A 53 0.392 -9.775 -1.031 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.379 -8.651 -2.565 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.599 -9.312 -0.443 1.00 0.00 C ATOM 783 CZ PHE A 53 2.566 -8.760 -1.223 1.00 0.00 C ATOM 0 H PHE A 53 0.357 -10.496 -5.181 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.902 -12.332 -3.198 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.501 -9.381 -3.647 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.829 -10.341 -2.219 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.022 -9.025 -4.219 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.377 -10.213 -0.412 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.148 -8.213 -3.184 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.749 -9.398 0.623 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.484 -8.408 -0.776 1.00 0.00 H new ATOM 793 N GLY A 54 -1.896 -11.240 -6.032 1.00 0.00 N ATOM 794 CA GLY A 54 -2.940 -11.321 -7.040 1.00 0.00 C ATOM 795 C GLY A 54 -4.240 -10.695 -6.531 1.00 0.00 C ATOM 796 O GLY A 54 -5.310 -11.288 -6.660 1.00 0.00 O ATOM 0 H GLY A 54 -0.996 -10.906 -6.377 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.616 -10.810 -7.947 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.114 -12.364 -7.307 1.00 0.00 H new ATOM 800 N VAL A 55 -4.106 -9.505 -5.964 1.00 0.00 N ATOM 801 CA VAL A 55 -5.257 -8.793 -5.436 1.00 0.00 C ATOM 802 C VAL A 55 -6.048 -8.183 -6.594 1.00 0.00 C ATOM 803 O VAL A 55 -5.504 -7.965 -7.675 1.00 0.00 O ATOM 804 CB VAL A 55 -4.803 -7.755 -4.408 1.00 0.00 C ATOM 805 CG1 VAL A 55 -4.286 -6.491 -5.098 1.00 0.00 C ATOM 806 CG2 VAL A 55 -5.931 -7.423 -3.429 1.00 0.00 C ATOM 0 H VAL A 55 -3.217 -9.016 -5.859 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.924 -9.478 -4.913 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.980 -8.186 -3.837 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.970 -5.769 -4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.439 -6.745 -5.736 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.080 -6.057 -5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.582 -6.683 -2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.783 -7.022 -3.978 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.233 -8.328 -2.902 1.00 0.00 H new ATOM 816 N ASP A 56 -7.321 -7.924 -6.328 1.00 0.00 N ATOM 817 CA ASP A 56 -8.192 -7.343 -7.334 1.00 0.00 C ATOM 818 C ASP A 56 -8.790 -6.042 -6.796 1.00 0.00 C ATOM 819 O ASP A 56 -9.868 -6.048 -6.203 1.00 0.00 O ATOM 820 CB ASP A 56 -9.346 -8.287 -7.676 1.00 0.00 C ATOM 821 CG ASP A 56 -9.732 -9.264 -6.564 1.00 0.00 C ATOM 822 OD1 ASP A 56 -8.954 -10.219 -6.351 1.00 0.00 O ATOM 823 OD2 ASP A 56 -10.798 -9.035 -5.952 1.00 0.00 O ATOM 0 H ASP A 56 -7.769 -8.106 -5.430 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.597 -7.161 -8.229 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.220 -7.689 -7.934 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.077 -8.859 -8.564 1.00 0.00 H new ATOM 828 N ALA A 57 -8.064 -4.956 -7.021 1.00 0.00 N ATOM 829 CA ALA A 57 -8.509 -3.651 -6.564 1.00 0.00 C ATOM 830 C ALA A 57 -8.796 -2.762 -7.777 1.00 0.00 C ATOM 831 O ALA A 57 -8.247 -2.982 -8.856 1.00 0.00 O ATOM 832 CB ALA A 57 -7.454 -3.047 -5.636 1.00 0.00 C ATOM 0 H ALA A 57 -7.171 -4.954 -7.514 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.433 -3.739 -5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.788 -2.068 -5.293 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.308 -3.702 -4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.513 -2.941 -6.176 1.00 0.00 H new ATOM 838 N PRO A 58 -9.677 -1.751 -7.553 1.00 0.00 N ATOM 839 CA PRO A 58 -10.044 -0.829 -8.614 1.00 0.00 C ATOM 840 C PRO A 58 -8.916 0.168 -8.887 1.00 0.00 C ATOM 841 O PRO A 58 -7.851 0.090 -8.277 1.00 0.00 O ATOM 842 CB PRO A 58 -11.322 -0.163 -8.133 1.00 0.00 C ATOM 843 CG PRO A 58 -11.372 -0.391 -6.631 1.00 0.00 C ATOM 844 CD PRO A 58 -10.347 -1.461 -6.288 1.00 0.00 C ATOM 0 HA PRO A 58 -10.207 -1.329 -9.568 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.319 0.902 -8.366 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.195 -0.594 -8.623 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.152 0.533 -6.097 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.370 -0.706 -6.326 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.640 -1.106 -5.538 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.825 -2.351 -5.880 1.00 0.00 H new ATOM 852 N VAL A 59 -9.189 1.084 -9.805 1.00 0.00 N ATOM 853 CA VAL A 59 -8.210 2.096 -10.166 1.00 0.00 C ATOM 854 C VAL A 59 -8.937 3.353 -10.648 1.00 0.00 C ATOM 855 O VAL A 59 -8.577 4.466 -10.269 1.00 0.00 O ATOM 856 CB VAL A 59 -7.235 1.535 -11.203 1.00 0.00 C ATOM 857 CG1 VAL A 59 -5.942 2.353 -11.239 1.00 0.00 C ATOM 858 CG2 VAL A 59 -6.942 0.057 -10.936 1.00 0.00 C ATOM 0 H VAL A 59 -10.073 1.147 -10.309 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.614 2.377 -9.298 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.707 1.611 -12.183 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.266 1.933 -11.984 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.172 3.386 -11.499 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.465 2.323 -10.259 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.247 -0.318 -11.687 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.500 -0.053 -9.946 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.870 -0.513 -10.985 1.00 0.00 H new ATOM 868 N SER A 60 -9.946 3.133 -11.478 1.00 0.00 N ATOM 869 CA SER A 60 -10.726 4.235 -12.016 1.00 0.00 C ATOM 870 C SER A 60 -10.904 5.318 -10.951 1.00 0.00 C ATOM 871 O SER A 60 -10.978 6.504 -11.273 1.00 0.00 O ATOM 872 CB SER A 60 -12.090 3.751 -12.515 1.00 0.00 C ATOM 873 OG SER A 60 -12.765 2.960 -11.541 1.00 0.00 O ATOM 0 H SER A 60 -10.241 2.208 -11.791 1.00 0.00 H new ATOM 0 HA SER A 60 -10.186 4.655 -12.865 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.707 4.611 -12.774 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.957 3.168 -13.426 1.00 0.00 H new ATOM 0 HG SER A 60 -13.632 2.672 -11.897 1.00 0.00 H new ATOM 879 N GLU A 61 -10.967 4.875 -9.705 1.00 0.00 N ATOM 880 CA GLU A 61 -11.135 5.793 -8.591 1.00 0.00 C ATOM 881 C GLU A 61 -10.969 5.051 -7.263 1.00 0.00 C ATOM 882 O GLU A 61 -11.718 5.290 -6.317 1.00 0.00 O ATOM 883 CB GLU A 61 -12.492 6.496 -8.661 1.00 0.00 C ATOM 884 CG GLU A 61 -12.342 8.000 -8.423 1.00 0.00 C ATOM 885 CD GLU A 61 -12.447 8.775 -9.738 1.00 0.00 C ATOM 886 OE1 GLU A 61 -13.501 8.637 -10.397 1.00 0.00 O ATOM 887 OE2 GLU A 61 -11.472 9.490 -10.054 1.00 0.00 O ATOM 0 H GLU A 61 -10.905 3.892 -9.441 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.362 6.559 -8.656 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.946 6.322 -9.636 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.165 6.071 -7.916 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.113 8.342 -7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.380 8.203 -7.952 1.00 0.00 H new ATOM 894 N PHE A 62 -9.984 4.166 -7.235 1.00 0.00 N ATOM 895 CA PHE A 62 -9.709 3.389 -6.038 1.00 0.00 C ATOM 896 C PHE A 62 -9.779 4.266 -4.786 1.00 0.00 C ATOM 897 O PHE A 62 -9.286 5.393 -4.785 1.00 0.00 O ATOM 898 CB PHE A 62 -8.289 2.836 -6.179 1.00 0.00 C ATOM 899 CG PHE A 62 -7.211 3.914 -6.303 1.00 0.00 C ATOM 900 CD1 PHE A 62 -6.933 4.463 -7.517 1.00 0.00 C ATOM 901 CD2 PHE A 62 -6.530 4.324 -5.200 1.00 0.00 C ATOM 902 CE1 PHE A 62 -5.932 5.463 -7.631 1.00 0.00 C ATOM 903 CE2 PHE A 62 -5.529 5.325 -5.315 1.00 0.00 C ATOM 904 CZ PHE A 62 -5.251 5.873 -6.528 1.00 0.00 C ATOM 0 H PHE A 62 -9.366 3.969 -8.022 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.447 2.594 -5.934 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -8.066 2.211 -5.314 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.247 2.192 -7.057 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.474 4.138 -8.393 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.750 3.889 -4.237 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.711 5.898 -8.594 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.988 5.651 -4.439 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.489 6.634 -6.615 1.00 0.00 H new ATOM 914 N ASP A 63 -10.397 3.716 -3.752 1.00 0.00 N ATOM 915 CA ASP A 63 -10.538 4.434 -2.496 1.00 0.00 C ATOM 916 C ASP A 63 -9.151 4.791 -1.958 1.00 0.00 C ATOM 917 O ASP A 63 -8.614 4.088 -1.104 1.00 0.00 O ATOM 918 CB ASP A 63 -11.246 3.574 -1.446 1.00 0.00 C ATOM 919 CG ASP A 63 -11.098 2.064 -1.640 1.00 0.00 C ATOM 920 OD1 ASP A 63 -9.936 1.620 -1.769 1.00 0.00 O ATOM 921 OD2 ASP A 63 -12.149 1.388 -1.657 1.00 0.00 O ATOM 0 H ASP A 63 -10.806 2.782 -3.758 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.128 5.331 -2.685 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.860 3.838 -0.462 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -12.307 3.823 -1.450 1.00 0.00 H new ATOM 926 N ARG A 64 -8.612 5.882 -2.481 1.00 0.00 N ATOM 927 CA ARG A 64 -7.298 6.341 -2.064 1.00 0.00 C ATOM 928 C ARG A 64 -7.191 6.328 -0.537 1.00 0.00 C ATOM 929 O ARG A 64 -6.105 6.148 0.011 1.00 0.00 O ATOM 930 CB ARG A 64 -7.020 7.755 -2.577 1.00 0.00 C ATOM 931 CG ARG A 64 -8.202 8.684 -2.291 1.00 0.00 C ATOM 932 CD ARG A 64 -7.958 9.509 -1.026 1.00 0.00 C ATOM 933 NE ARG A 64 -7.121 10.687 -1.344 1.00 0.00 N ATOM 934 CZ ARG A 64 -7.600 11.843 -1.821 1.00 0.00 C ATOM 935 NH1 ARG A 64 -8.915 11.985 -2.039 1.00 0.00 N ATOM 936 NH2 ARG A 64 -6.765 12.859 -2.081 1.00 0.00 N ATOM 0 H ARG A 64 -9.061 6.462 -3.190 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.559 5.662 -2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.121 8.148 -2.102 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.827 7.725 -3.649 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.359 9.350 -3.139 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.112 8.095 -2.176 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.909 9.832 -0.603 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.466 8.896 -0.271 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.115 10.614 -1.190 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.551 11.212 -1.842 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.280 12.866 -2.402 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.764 12.752 -1.916 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.130 13.739 -2.444 1.00 0.00 H new ATOM 950 N LYS A 65 -8.333 6.522 0.105 1.00 0.00 N ATOM 951 CA LYS A 65 -8.382 6.536 1.558 1.00 0.00 C ATOM 952 C LYS A 65 -7.900 5.186 2.092 1.00 0.00 C ATOM 953 O LYS A 65 -7.261 5.122 3.141 1.00 0.00 O ATOM 954 CB LYS A 65 -9.779 6.927 2.043 1.00 0.00 C ATOM 955 CG LYS A 65 -10.119 6.223 3.359 1.00 0.00 C ATOM 956 CD LYS A 65 -9.231 6.729 4.496 1.00 0.00 C ATOM 957 CE LYS A 65 -9.733 8.072 5.029 1.00 0.00 C ATOM 958 NZ LYS A 65 -10.764 7.864 6.070 1.00 0.00 N ATOM 0 H LYS A 65 -9.232 6.671 -0.354 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.709 7.295 1.956 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.831 8.007 2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.518 6.666 1.285 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.166 6.394 3.607 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.990 5.147 3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.215 5.997 5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.206 6.835 4.142 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.900 8.640 5.443 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.147 8.662 4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.094 8.786 6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.566 7.341 5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.358 7.319 6.857 1.00 0.00 H new ATOM 972 N GLU A 66 -8.226 4.140 1.347 1.00 0.00 N ATOM 973 CA GLU A 66 -7.835 2.795 1.732 1.00 0.00 C ATOM 974 C GLU A 66 -6.458 2.458 1.157 1.00 0.00 C ATOM 975 O GLU A 66 -5.771 1.570 1.660 1.00 0.00 O ATOM 976 CB GLU A 66 -8.881 1.771 1.288 1.00 0.00 C ATOM 977 CG GLU A 66 -8.363 0.343 1.472 1.00 0.00 C ATOM 978 CD GLU A 66 -9.476 -0.679 1.236 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.126 -0.574 0.172 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.653 -1.542 2.122 1.00 0.00 O ATOM 0 H GLU A 66 -8.757 4.197 0.478 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.773 2.753 2.819 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.796 1.907 1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.136 1.937 0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.542 0.158 0.779 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.963 0.224 2.479 1.00 0.00 H new ATOM 987 N TRP A 67 -6.095 3.183 0.109 1.00 0.00 N ATOM 988 CA TRP A 67 -4.813 2.972 -0.540 1.00 0.00 C ATOM 989 C TRP A 67 -3.897 4.141 -0.172 1.00 0.00 C ATOM 990 O TRP A 67 -2.921 4.413 -0.868 1.00 0.00 O ATOM 991 CB TRP A 67 -4.985 2.800 -2.051 1.00 0.00 C ATOM 992 CG TRP A 67 -6.059 1.783 -2.443 1.00 0.00 C ATOM 993 CD1 TRP A 67 -7.333 2.019 -2.782 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.899 0.351 -2.525 1.00 0.00 C ATOM 995 NE1 TRP A 67 -8.004 0.849 -3.074 1.00 0.00 N ATOM 996 CE2 TRP A 67 -7.104 -0.197 -2.913 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.772 -0.453 -2.278 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -7.298 -1.573 -3.089 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -4.984 -1.825 -2.459 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -6.190 -2.394 -2.849 1.00 0.00 C ATOM 0 H TRP A 67 -6.667 3.918 -0.307 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.353 2.047 -0.192 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -5.236 3.766 -2.490 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.033 2.492 -2.482 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.779 3.002 -2.822 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.981 0.767 -3.356 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.820 -0.045 -1.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -8.251 -1.979 -3.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -4.150 -2.489 -2.283 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -6.272 -3.464 -2.966 1.00 0.00 H new ATOM 1011 N ASP A 68 -4.246 4.802 0.923 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.467 5.935 1.392 1.00 0.00 C ATOM 1013 C ASP A 68 -2.554 5.484 2.533 1.00 0.00 C ATOM 1014 O ASP A 68 -1.428 5.964 2.658 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.377 7.045 1.925 1.00 0.00 C ATOM 1016 CG ASP A 68 -3.739 7.953 2.978 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -2.594 8.389 2.734 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.413 8.191 4.004 1.00 0.00 O ATOM 0 H ASP A 68 -5.057 4.574 1.498 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.886 6.316 0.552 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.704 7.660 1.087 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.270 6.589 2.353 1.00 0.00 H new ATOM 1023 N THR A 69 -3.073 4.568 3.336 1.00 0.00 N ATOM 1024 CA THR A 69 -2.317 4.046 4.463 1.00 0.00 C ATOM 1025 C THR A 69 -1.869 2.610 4.186 1.00 0.00 C ATOM 1026 O THR A 69 -2.455 1.923 3.350 1.00 0.00 O ATOM 1027 CB THR A 69 -3.185 4.181 5.716 1.00 0.00 C ATOM 1028 OG1 THR A 69 -4.519 4.062 5.230 1.00 0.00 O ATOM 1029 CG2 THR A 69 -3.132 5.586 6.317 1.00 0.00 C ATOM 0 H THR A 69 -4.008 4.173 3.230 1.00 0.00 H new ATOM 0 HA THR A 69 -1.400 4.614 4.622 1.00 0.00 H new ATOM 0 HB THR A 69 -2.860 3.455 6.461 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.141 4.443 5.885 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.765 5.627 7.203 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.105 5.825 6.593 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.488 6.309 5.583 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.806 2.187 4.922 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.272 0.846 4.764 1.00 0.00 C ATOM 1039 C PRO A 70 -1.185 -0.190 5.425 1.00 0.00 C ATOM 1040 O PRO A 70 -1.313 -1.311 4.937 1.00 0.00 O ATOM 1041 CB PRO A 70 1.115 0.898 5.386 1.00 0.00 C ATOM 1042 CG PRO A 70 1.125 2.128 6.278 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.087 2.974 5.921 1.00 0.00 C ATOM 0 HA PRO A 70 -0.215 0.537 3.720 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.319 -0.004 5.963 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.885 0.966 4.618 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.092 1.838 7.328 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.043 2.697 6.133 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.708 3.166 6.796 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.210 3.944 5.522 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.797 0.225 6.525 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.695 -0.652 7.257 1.00 0.00 C ATOM 1053 C ASN A 71 -3.932 -0.937 6.404 1.00 0.00 C ATOM 1054 O ASN A 71 -4.268 -2.094 6.158 1.00 0.00 O ATOM 1055 CB ASN A 71 -3.159 0.000 8.561 1.00 0.00 C ATOM 1056 CG ASN A 71 -2.685 -0.801 9.775 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -2.445 -1.996 9.707 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -2.564 -0.081 10.886 1.00 0.00 N ATOM 0 H ASN A 71 -1.689 1.156 6.927 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.156 -1.572 7.485 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.774 1.018 8.620 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.247 0.070 8.569 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.254 -0.525 11.750 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.781 0.916 10.874 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.576 0.138 5.975 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.769 0.019 5.154 1.00 0.00 C ATOM 1067 C LYS A 72 -5.468 -0.880 3.953 1.00 0.00 C ATOM 1068 O LYS A 72 -6.340 -1.614 3.489 1.00 0.00 O ATOM 1069 CB LYS A 72 -6.296 1.402 4.769 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.609 1.710 5.492 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.904 3.211 5.478 1.00 0.00 C ATOM 1072 CE LYS A 72 -7.713 3.821 6.868 1.00 0.00 C ATOM 1073 NZ LYS A 72 -8.680 3.240 7.826 1.00 0.00 N ATOM 0 H LYS A 72 -4.294 1.096 6.181 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.572 -0.457 5.717 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.553 2.160 5.018 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.451 1.449 3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.427 1.171 5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.553 1.356 6.522 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.246 3.708 4.765 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.926 3.381 5.140 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.695 3.640 7.214 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.845 4.902 6.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.908 3.943 8.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.549 2.971 7.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.263 2.398 8.272 1.00 0.00 H new ATOM 1087 N ILE A 73 -4.232 -0.793 3.484 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.806 -1.590 2.346 1.00 0.00 C ATOM 1089 C ILE A 73 -3.493 -3.013 2.814 1.00 0.00 C ATOM 1090 O ILE A 73 -4.000 -3.981 2.249 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.642 -0.911 1.622 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -3.118 0.324 0.855 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -1.907 -1.901 0.717 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -2.004 0.881 -0.033 1.00 0.00 C ATOM 0 H ILE A 73 -3.512 -0.183 3.871 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.608 -1.665 1.612 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.928 -0.568 2.371 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.981 0.065 0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.444 1.090 1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.084 -1.393 0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.514 -2.721 1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.598 -2.296 -0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.369 1.758 -0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.151 1.161 0.586 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.697 0.121 -0.751 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.660 -3.094 3.841 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.274 -4.383 4.391 1.00 0.00 C ATOM 1108 C ILE A 74 -3.530 -5.215 4.660 1.00 0.00 C ATOM 1109 O ILE A 74 -3.468 -6.442 4.703 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.385 -4.195 5.622 1.00 0.00 C ATOM 1111 CG1 ILE A 74 0.095 -4.189 5.234 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.694 -5.249 6.687 1.00 0.00 C ATOM 1113 CD1 ILE A 74 0.951 -3.586 6.349 1.00 0.00 C ATOM 0 H ILE A 74 -2.242 -2.289 4.307 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.671 -4.939 3.673 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.607 -3.221 6.058 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.425 -5.207 5.028 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.232 -3.617 4.316 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.048 -5.093 7.551 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.737 -5.163 6.993 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.517 -6.243 6.277 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.999 -3.594 6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.635 -2.560 6.536 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.831 -4.174 7.259 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.640 -4.512 4.834 1.00 0.00 N ATOM 1126 CA ALA A 75 -5.908 -5.171 5.098 1.00 0.00 C ATOM 1127 C ALA A 75 -6.543 -5.595 3.772 1.00 0.00 C ATOM 1128 O ALA A 75 -7.213 -6.624 3.701 1.00 0.00 O ATOM 1129 CB ALA A 75 -6.811 -4.235 5.904 1.00 0.00 C ATOM 0 H ALA A 75 -4.687 -3.494 4.797 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.757 -6.071 5.694 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.762 -4.729 6.102 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.327 -3.987 6.849 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.988 -3.322 5.336 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.309 -4.780 2.754 1.00 0.00 N ATOM 1136 CA LYS A 76 -6.851 -5.057 1.434 1.00 0.00 C ATOM 1137 C LYS A 76 -6.155 -6.288 0.851 1.00 0.00 C ATOM 1138 O LYS A 76 -6.772 -7.072 0.132 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.754 -3.817 0.544 1.00 0.00 C ATOM 1140 CG LYS A 76 -7.777 -3.877 -0.594 1.00 0.00 C ATOM 1141 CD LYS A 76 -9.193 -4.066 -0.048 1.00 0.00 C ATOM 1142 CE LYS A 76 -10.239 -3.595 -1.061 1.00 0.00 C ATOM 1143 NZ LYS A 76 -11.510 -4.330 -0.874 1.00 0.00 N ATOM 0 H LYS A 76 -5.752 -3.928 2.816 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.914 -5.291 1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.922 -2.922 1.142 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.749 -3.740 0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.729 -2.959 -1.180 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.530 -4.698 -1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.358 -5.117 0.188 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.305 -3.509 0.882 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.410 -2.525 -0.945 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.868 -3.750 -2.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.209 -3.998 -1.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.345 -5.348 -1.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.871 -4.161 0.087 1.00 0.00 H new ATOM 1157 N VAL A 77 -4.879 -6.420 1.182 1.00 0.00 N ATOM 1158 CA VAL A 77 -4.091 -7.542 0.700 1.00 0.00 C ATOM 1159 C VAL A 77 -4.521 -8.813 1.436 1.00 0.00 C ATOM 1160 O VAL A 77 -4.569 -9.891 0.844 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.600 -7.238 0.851 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -1.749 -8.376 0.284 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.242 -5.905 0.192 1.00 0.00 C ATOM 0 H VAL A 77 -4.371 -5.768 1.779 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.268 -7.706 -0.363 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.382 -7.154 1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.693 -8.135 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.973 -9.299 0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.974 -8.506 -0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.176 -5.713 0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.484 -5.948 -0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.811 -5.103 0.662 1.00 0.00 H new ATOM 1173 N GLU A 78 -4.821 -8.645 2.715 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.244 -9.766 3.538 1.00 0.00 C ATOM 1175 C GLU A 78 -6.662 -10.198 3.158 1.00 0.00 C ATOM 1176 O GLU A 78 -7.002 -11.377 3.248 1.00 0.00 O ATOM 1177 CB GLU A 78 -5.157 -9.418 5.025 1.00 0.00 C ATOM 1178 CG GLU A 78 -3.704 -9.420 5.505 1.00 0.00 C ATOM 1179 CD GLU A 78 -3.502 -10.429 6.636 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -4.266 -10.340 7.621 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -2.587 -11.269 6.491 1.00 0.00 O ATOM 0 H GLU A 78 -4.780 -7.750 3.202 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.569 -10.602 3.354 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.600 -8.437 5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.736 -10.137 5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.043 -9.663 4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.430 -8.423 5.849 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.453 -9.219 2.741 1.00 0.00 N ATOM 1189 CA GLN A 79 -8.826 -9.483 2.346 1.00 0.00 C ATOM 1190 C GLN A 79 -8.899 -9.788 0.849 1.00 0.00 C ATOM 1191 O GLN A 79 -9.928 -9.557 0.215 1.00 0.00 O ATOM 1192 CB GLN A 79 -9.736 -8.309 2.713 1.00 0.00 C ATOM 1193 CG GLN A 79 -10.872 -8.763 3.632 1.00 0.00 C ATOM 1194 CD GLN A 79 -10.398 -8.859 5.084 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -10.232 -9.933 5.640 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -10.190 -7.681 5.664 1.00 0.00 N ATOM 0 H GLN A 79 -7.169 -8.242 2.668 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.179 -10.358 2.891 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.152 -7.532 3.207 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.151 -7.868 1.806 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.703 -8.061 3.563 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.245 -9.733 3.303 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.348 -6.820 5.141 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.872 -7.638 6.632 1.00 0.00 H new ATOM 1205 N ALA A 80 -7.796 -10.302 0.328 1.00 0.00 N ATOM 1206 CA ALA A 80 -7.722 -10.640 -1.084 1.00 0.00 C ATOM 1207 C ALA A 80 -7.338 -12.114 -1.230 1.00 0.00 C ATOM 1208 O ALA A 80 -7.977 -12.854 -1.978 1.00 0.00 O ATOM 1209 CB ALA A 80 -6.730 -9.708 -1.781 1.00 0.00 C ATOM 0 H ALA A 80 -6.945 -10.493 0.857 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.691 -10.501 -1.564 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.675 -9.962 -2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.062 -8.676 -1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.745 -9.821 -1.329 1.00 0.00 H new ATOM 1215 N GLN A 81 -6.297 -12.497 -0.506 1.00 0.00 N ATOM 1216 CA GLN A 81 -5.821 -13.869 -0.547 1.00 0.00 C ATOM 1217 C GLN A 81 -6.995 -14.843 -0.414 1.00 0.00 C ATOM 1218 O GLN A 81 -6.794 -16.047 -0.268 1.00 0.00 O ATOM 1219 CB GLN A 81 -4.777 -14.120 0.543 1.00 0.00 C ATOM 1220 CG GLN A 81 -3.564 -13.204 0.360 1.00 0.00 C ATOM 1221 CD GLN A 81 -3.057 -13.247 -1.083 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -2.226 -14.062 -1.451 1.00 0.00 O ATOM 1223 NE2 GLN A 81 -3.600 -12.329 -1.876 1.00 0.00 N ATOM 0 H GLN A 81 -5.770 -11.881 0.113 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.341 -14.037 -1.511 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.221 -13.950 1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.458 -15.162 0.514 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.833 -12.181 0.624 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.767 -13.510 1.038 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.290 -11.677 -1.503 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.326 -12.276 -2.857 1.00 0.00 H new TER 1232 GLN A 81