USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 688 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 33 TYR OH : rot -100:sc= -2.14! USER MOD Set 1.2: A 37 MET CE :methyl 145:sc= -0.852 (180deg=-0.0676) USER MOD Set 1.3: A 70 HIS : no HE2:sc= -3.1 K(o=-6.1,f=-11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 147:sc= -0.277 (180deg=-1.27!) USER MOD Single : A 11 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.11) USER MOD Single : A 12 LYS NZ :NH3+ 159:sc= -0.315 (180deg=-0.961) USER MOD Single : A 19 ASN : amide:sc= -1.15 K(o=-1.2,f=-4.7!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.0443 X(o=-0.044,f=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 36 THR OG1 : rot -52:sc= 0.71 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.302 X(o=-0.3,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.642 K(o=-0.64,f=-3.1!) USER MOD Single : A 74 TYR OH : rot -123:sc= -1.74! USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot -103:sc= 0.314 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.157 6.746 11.755 1.00 0.00 N ATOM 2 CA MET A 1 -16.014 6.410 10.865 1.00 0.00 C ATOM 3 C MET A 1 -16.482 5.638 9.635 1.00 0.00 C ATOM 4 O MET A 1 -16.895 4.482 9.735 1.00 0.00 O ATOM 5 CB MET A 1 -15.007 5.577 11.661 1.00 0.00 C ATOM 6 CG MET A 1 -13.852 6.392 12.221 1.00 0.00 C ATOM 7 SD MET A 1 -12.452 5.368 12.712 1.00 0.00 S ATOM 8 CE MET A 1 -11.577 5.222 11.157 1.00 0.00 C ATOM 0 H1 MET A 1 -16.810 7.271 12.583 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.841 7.333 11.235 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.621 5.870 12.070 1.00 0.00 H new ATOM 0 HA MET A 1 -15.548 7.331 10.516 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.525 5.084 12.483 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.609 4.792 11.018 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.525 7.113 11.472 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.199 6.963 13.082 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.683 4.614 11.298 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.224 4.750 10.418 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.290 6.213 10.807 1.00 0.00 H new ATOM 20 N ASP A 2 -16.412 6.283 8.476 1.00 0.00 N ATOM 21 CA ASP A 2 -16.828 5.658 7.226 1.00 0.00 C ATOM 22 C ASP A 2 -15.618 5.196 6.421 1.00 0.00 C ATOM 23 O ASP A 2 -14.481 5.545 6.733 1.00 0.00 O ATOM 24 CB ASP A 2 -17.667 6.632 6.398 1.00 0.00 C ATOM 25 CG ASP A 2 -19.157 6.420 6.589 1.00 0.00 C ATOM 26 OD1 ASP A 2 -19.628 6.531 7.740 1.00 0.00 O ATOM 27 OD2 ASP A 2 -19.849 6.142 5.588 1.00 0.00 O ATOM 0 H ASP A 2 -16.071 7.239 8.376 1.00 0.00 H new ATOM 0 HA ASP A 2 -17.434 4.785 7.469 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -17.410 7.654 6.675 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -17.419 6.515 5.343 1.00 0.00 H new ATOM 32 N ARG A 3 -15.872 4.406 5.382 1.00 0.00 N ATOM 33 CA ARG A 3 -14.804 3.895 4.531 1.00 0.00 C ATOM 34 C ARG A 3 -15.231 3.887 3.066 1.00 0.00 C ATOM 35 O ARG A 3 -16.335 3.460 2.734 1.00 0.00 O ATOM 36 CB ARG A 3 -14.411 2.481 4.965 1.00 0.00 C ATOM 37 CG ARG A 3 -13.724 2.429 6.320 1.00 0.00 C ATOM 38 CD ARG A 3 -12.222 2.641 6.194 1.00 0.00 C ATOM 39 NE ARG A 3 -11.463 1.563 6.822 1.00 0.00 N ATOM 40 CZ ARG A 3 -10.148 1.405 6.687 1.00 0.00 C ATOM 41 NH1 ARG A 3 -9.444 2.253 5.949 1.00 0.00 N ATOM 42 NH2 ARG A 3 -9.536 0.395 7.292 1.00 0.00 N ATOM 0 H ARG A 3 -16.808 4.106 5.110 1.00 0.00 H new ATOM 0 HA ARG A 3 -13.943 4.555 4.637 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -15.305 1.858 4.996 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -13.748 2.051 4.214 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.147 3.193 6.973 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -13.918 1.465 6.790 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -11.952 2.708 5.140 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -11.950 3.591 6.653 1.00 0.00 H new ATOM 0 HE ARG A 3 -11.970 0.891 7.398 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.910 3.031 5.482 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.437 2.127 5.849 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -10.073 -0.260 7.860 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.529 0.274 7.189 1.00 0.00 H new ATOM 56 N LYS A 4 -14.347 4.365 2.195 1.00 0.00 N ATOM 57 CA LYS A 4 -14.634 4.414 0.767 1.00 0.00 C ATOM 58 C LYS A 4 -13.501 3.784 -0.038 1.00 0.00 C ATOM 59 O LYS A 4 -13.714 2.835 -0.792 1.00 0.00 O ATOM 60 CB LYS A 4 -14.854 5.862 0.319 1.00 0.00 C ATOM 61 CG LYS A 4 -16.142 6.068 -0.463 1.00 0.00 C ATOM 62 CD LYS A 4 -15.938 5.817 -1.948 1.00 0.00 C ATOM 63 CE LYS A 4 -16.232 4.373 -2.315 1.00 0.00 C ATOM 64 NZ LYS A 4 -17.585 3.950 -1.859 1.00 0.00 N ATOM 0 H LYS A 4 -13.428 4.723 2.454 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.544 3.843 0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.865 6.508 1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.011 6.175 -0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.912 5.397 -0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.502 7.085 -0.311 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -16.587 6.479 -2.522 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.911 6.061 -2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.158 4.251 -3.396 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.479 3.724 -1.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -17.979 3.263 -2.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.513 3.511 -0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -18.209 4.780 -1.806 1.00 0.00 H new ATOM 78 N VAL A 5 -12.294 4.318 0.126 1.00 0.00 N ATOM 79 CA VAL A 5 -11.129 3.806 -0.586 1.00 0.00 C ATOM 80 C VAL A 5 -10.688 2.458 -0.023 1.00 0.00 C ATOM 81 O VAL A 5 -10.081 1.652 -0.726 1.00 0.00 O ATOM 82 CB VAL A 5 -9.945 4.791 -0.517 1.00 0.00 C ATOM 83 CG1 VAL A 5 -8.844 4.371 -1.481 1.00 0.00 C ATOM 84 CG2 VAL A 5 -10.410 6.213 -0.810 1.00 0.00 C ATOM 0 H VAL A 5 -12.098 5.104 0.745 1.00 0.00 H new ATOM 0 HA VAL A 5 -11.427 3.683 -1.627 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.538 4.770 0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.017 5.078 -1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.490 3.374 -1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.236 4.360 -2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.559 6.892 -0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.845 6.255 -1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.158 6.510 -0.075 1.00 0.00 H new ATOM 94 N ALA A 6 -10.999 2.220 1.247 1.00 0.00 N ATOM 95 CA ALA A 6 -10.636 0.969 1.902 1.00 0.00 C ATOM 96 C ALA A 6 -11.187 -0.231 1.142 1.00 0.00 C ATOM 97 O ALA A 6 -10.481 -1.215 0.917 1.00 0.00 O ATOM 98 CB ALA A 6 -11.131 0.961 3.341 1.00 0.00 C ATOM 0 H ALA A 6 -11.502 2.877 1.843 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.549 0.893 1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.852 0.021 3.816 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.680 1.791 3.886 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.216 1.066 3.353 1.00 0.00 H new ATOM 104 N ARG A 7 -12.449 -0.141 0.747 1.00 0.00 N ATOM 105 CA ARG A 7 -13.097 -1.218 0.008 1.00 0.00 C ATOM 106 C ARG A 7 -12.410 -1.434 -1.333 1.00 0.00 C ATOM 107 O ARG A 7 -12.044 -2.558 -1.684 1.00 0.00 O ATOM 108 CB ARG A 7 -14.579 -0.902 -0.207 1.00 0.00 C ATOM 109 CG ARG A 7 -15.373 -2.070 -0.770 1.00 0.00 C ATOM 110 CD ARG A 7 -15.911 -1.764 -2.160 1.00 0.00 C ATOM 111 NE ARG A 7 -14.920 -2.025 -3.201 1.00 0.00 N ATOM 112 CZ ARG A 7 -15.046 -1.621 -4.463 1.00 0.00 C ATOM 113 NH1 ARG A 7 -16.119 -0.937 -4.843 1.00 0.00 N ATOM 114 NH2 ARG A 7 -14.099 -1.901 -5.347 1.00 0.00 N ATOM 0 H ARG A 7 -13.046 0.667 0.925 1.00 0.00 H new ATOM 0 HA ARG A 7 -13.014 -2.133 0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -15.019 -0.598 0.743 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -14.667 -0.053 -0.885 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -14.739 -2.955 -0.812 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -16.202 -2.303 -0.102 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -16.799 -2.368 -2.346 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -16.220 -0.720 -2.207 1.00 0.00 H new ATOM 0 HE ARG A 7 -14.082 -2.548 -2.946 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -16.851 -0.719 -4.167 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -16.211 -0.629 -5.811 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -13.273 -2.426 -5.060 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -14.196 -1.591 -6.314 1.00 0.00 H new ATOM 128 N GLU A 8 -12.230 -0.351 -2.073 1.00 0.00 N ATOM 129 CA GLU A 8 -11.579 -0.412 -3.375 1.00 0.00 C ATOM 130 C GLU A 8 -10.158 -0.948 -3.236 1.00 0.00 C ATOM 131 O GLU A 8 -9.673 -1.676 -4.101 1.00 0.00 O ATOM 132 CB GLU A 8 -11.555 0.972 -4.025 1.00 0.00 C ATOM 133 CG GLU A 8 -11.384 0.931 -5.535 1.00 0.00 C ATOM 134 CD GLU A 8 -12.346 1.854 -6.255 1.00 0.00 C ATOM 135 OE1 GLU A 8 -12.302 3.076 -5.999 1.00 0.00 O ATOM 136 OE2 GLU A 8 -13.145 1.356 -7.075 1.00 0.00 O ATOM 0 H GLU A 8 -12.526 0.584 -1.794 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.148 -1.089 -4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.482 1.493 -3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.742 1.554 -3.591 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.361 1.209 -5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.534 -0.090 -5.886 1.00 0.00 H new ATOM 143 N PHE A 9 -9.502 -0.586 -2.139 1.00 0.00 N ATOM 144 CA PHE A 9 -8.139 -1.034 -1.879 1.00 0.00 C ATOM 145 C PHE A 9 -8.080 -2.556 -1.803 1.00 0.00 C ATOM 146 O PHE A 9 -7.215 -3.185 -2.413 1.00 0.00 O ATOM 147 CB PHE A 9 -7.619 -0.423 -0.576 1.00 0.00 C ATOM 148 CG PHE A 9 -6.229 -0.866 -0.213 1.00 0.00 C ATOM 149 CD1 PHE A 9 -5.206 -0.816 -1.146 1.00 0.00 C ATOM 150 CD2 PHE A 9 -5.948 -1.332 1.061 1.00 0.00 C ATOM 151 CE1 PHE A 9 -3.927 -1.222 -0.814 1.00 0.00 C ATOM 152 CE2 PHE A 9 -4.671 -1.741 1.399 1.00 0.00 C ATOM 153 CZ PHE A 9 -3.659 -1.686 0.459 1.00 0.00 C ATOM 0 H PHE A 9 -9.893 0.017 -1.415 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.506 -0.702 -2.702 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.633 0.663 -0.663 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.298 -0.686 0.235 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.410 -0.456 -2.144 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -6.735 -1.376 1.799 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.138 -1.176 -1.550 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.465 -2.103 2.396 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.661 -2.005 0.719 1.00 0.00 H new ATOM 163 N ARG A 10 -9.011 -3.140 -1.055 1.00 0.00 N ATOM 164 CA ARG A 10 -9.069 -4.590 -0.903 1.00 0.00 C ATOM 165 C ARG A 10 -9.252 -5.265 -2.258 1.00 0.00 C ATOM 166 O ARG A 10 -8.563 -6.233 -2.578 1.00 0.00 O ATOM 167 CB ARG A 10 -10.212 -4.980 0.037 1.00 0.00 C ATOM 168 CG ARG A 10 -9.813 -5.997 1.093 1.00 0.00 C ATOM 169 CD ARG A 10 -10.742 -5.948 2.294 1.00 0.00 C ATOM 170 NE ARG A 10 -10.063 -6.329 3.530 1.00 0.00 N ATOM 171 CZ ARG A 10 -9.677 -7.572 3.810 1.00 0.00 C ATOM 172 NH1 ARG A 10 -9.901 -8.555 2.945 1.00 0.00 N ATOM 173 NH2 ARG A 10 -9.066 -7.834 4.957 1.00 0.00 N ATOM 0 H ARG A 10 -9.734 -2.633 -0.545 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.127 -4.928 -0.472 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.586 -4.084 0.531 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.034 -5.385 -0.553 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.829 -6.997 0.660 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.790 -5.805 1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.146 -4.941 2.398 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.588 -6.615 2.125 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.874 -5.601 4.218 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.371 -8.359 2.061 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.603 -9.505 3.165 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.892 -7.083 5.625 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.770 -8.786 5.171 1.00 0.00 H new ATOM 187 N HIS A 11 -10.184 -4.745 -3.051 1.00 0.00 N ATOM 188 CA HIS A 11 -10.454 -5.297 -4.373 1.00 0.00 C ATOM 189 C HIS A 11 -9.250 -5.107 -5.292 1.00 0.00 C ATOM 190 O HIS A 11 -8.884 -6.006 -6.047 1.00 0.00 O ATOM 191 CB HIS A 11 -11.691 -4.632 -4.984 1.00 0.00 C ATOM 192 CG HIS A 11 -12.927 -5.472 -4.887 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.022 -6.736 -5.427 1.00 0.00 N ATOM 194 CD2 HIS A 11 -14.124 -5.221 -4.308 1.00 0.00 C ATOM 195 CE1 HIS A 11 -14.225 -7.228 -5.186 1.00 0.00 C ATOM 196 NE2 HIS A 11 -14.913 -6.328 -4.507 1.00 0.00 N ATOM 0 H HIS A 11 -10.764 -3.944 -2.801 1.00 0.00 H new ATOM 0 HA HIS A 11 -10.643 -6.365 -4.266 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -11.867 -3.680 -4.483 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -11.494 -4.409 -6.032 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -14.407 -4.318 -3.787 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.584 -8.200 -5.492 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.874 -6.437 -4.183 1.00 0.00 H new ATOM 205 N LYS A 12 -8.638 -3.929 -5.218 1.00 0.00 N ATOM 206 CA LYS A 12 -7.474 -3.615 -6.037 1.00 0.00 C ATOM 207 C LYS A 12 -6.337 -4.597 -5.769 1.00 0.00 C ATOM 208 O LYS A 12 -5.866 -5.280 -6.676 1.00 0.00 O ATOM 209 CB LYS A 12 -7.004 -2.187 -5.757 1.00 0.00 C ATOM 210 CG LYS A 12 -6.763 -1.368 -7.013 1.00 0.00 C ATOM 211 CD LYS A 12 -5.476 -0.565 -6.915 1.00 0.00 C ATOM 212 CE LYS A 12 -5.314 0.376 -8.098 1.00 0.00 C ATOM 213 NZ LYS A 12 -5.684 1.775 -7.751 1.00 0.00 N ATOM 0 H LYS A 12 -8.931 -3.175 -4.597 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.763 -3.700 -7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.749 -1.682 -5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.083 -2.224 -5.175 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.715 -2.031 -7.877 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.603 -0.693 -7.175 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.474 0.010 -5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.625 -1.244 -6.870 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.281 0.349 -8.444 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.936 0.031 -8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.242 2.429 -8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.718 1.881 -7.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.352 1.994 -6.790 1.00 0.00 H new ATOM 227 N VAL A 13 -5.900 -4.654 -4.516 1.00 0.00 N ATOM 228 CA VAL A 13 -4.813 -5.546 -4.120 1.00 0.00 C ATOM 229 C VAL A 13 -5.089 -6.985 -4.548 1.00 0.00 C ATOM 230 O VAL A 13 -4.191 -7.686 -5.013 1.00 0.00 O ATOM 231 CB VAL A 13 -4.589 -5.508 -2.596 1.00 0.00 C ATOM 232 CG1 VAL A 13 -3.364 -6.326 -2.214 1.00 0.00 C ATOM 233 CG2 VAL A 13 -4.453 -4.072 -2.111 1.00 0.00 C ATOM 0 H VAL A 13 -6.282 -4.093 -3.755 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.914 -5.192 -4.625 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.458 -5.951 -2.109 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.223 -6.287 -1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.507 -7.361 -2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.484 -5.917 -2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.295 -4.066 -1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.603 -3.600 -2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.363 -3.520 -2.348 1.00 0.00 H new ATOM 243 N ASP A 14 -6.333 -7.421 -4.382 1.00 0.00 N ATOM 244 CA ASP A 14 -6.721 -8.779 -4.749 1.00 0.00 C ATOM 245 C ASP A 14 -6.743 -8.956 -6.265 1.00 0.00 C ATOM 246 O ASP A 14 -6.329 -9.990 -6.784 1.00 0.00 O ATOM 247 CB ASP A 14 -8.096 -9.113 -4.166 1.00 0.00 C ATOM 248 CG ASP A 14 -8.233 -10.581 -3.812 1.00 0.00 C ATOM 249 OD1 ASP A 14 -7.924 -11.430 -4.674 1.00 0.00 O ATOM 250 OD2 ASP A 14 -8.649 -10.881 -2.673 1.00 0.00 O ATOM 0 H ASP A 14 -7.089 -6.855 -3.996 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.979 -9.463 -4.336 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.266 -8.510 -3.274 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.868 -8.842 -4.886 1.00 0.00 H new ATOM 255 N PHE A 15 -7.233 -7.939 -6.967 1.00 0.00 N ATOM 256 CA PHE A 15 -7.313 -7.985 -8.423 1.00 0.00 C ATOM 257 C PHE A 15 -5.924 -7.945 -9.054 1.00 0.00 C ATOM 258 O PHE A 15 -5.668 -8.613 -10.056 1.00 0.00 O ATOM 259 CB PHE A 15 -8.155 -6.819 -8.944 1.00 0.00 C ATOM 260 CG PHE A 15 -8.763 -7.073 -10.294 1.00 0.00 C ATOM 261 CD1 PHE A 15 -9.709 -8.071 -10.466 1.00 0.00 C ATOM 262 CD2 PHE A 15 -8.387 -6.315 -11.391 1.00 0.00 C ATOM 263 CE1 PHE A 15 -10.269 -8.307 -11.708 1.00 0.00 C ATOM 264 CE2 PHE A 15 -8.943 -6.545 -12.635 1.00 0.00 C ATOM 265 CZ PHE A 15 -9.886 -7.544 -12.793 1.00 0.00 C ATOM 0 H PHE A 15 -7.580 -7.074 -6.552 1.00 0.00 H new ATOM 0 HA PHE A 15 -7.788 -8.925 -8.703 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.951 -6.609 -8.230 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.531 -5.927 -8.998 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.012 -8.671 -9.621 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.650 -5.534 -11.272 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.005 -9.088 -11.829 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.642 -5.946 -13.482 1.00 0.00 H new ATOM 0 HZ PHE A 15 -10.322 -7.727 -13.764 1.00 0.00 H new ATOM 275 N LEU A 16 -5.034 -7.155 -8.465 1.00 0.00 N ATOM 276 CA LEU A 16 -3.672 -7.025 -8.973 1.00 0.00 C ATOM 277 C LEU A 16 -2.797 -8.173 -8.488 1.00 0.00 C ATOM 278 O LEU A 16 -2.203 -8.897 -9.288 1.00 0.00 O ATOM 279 CB LEU A 16 -3.067 -5.690 -8.536 1.00 0.00 C ATOM 280 CG LEU A 16 -3.998 -4.482 -8.663 1.00 0.00 C ATOM 281 CD1 LEU A 16 -3.857 -3.565 -7.456 1.00 0.00 C ATOM 282 CD2 LEU A 16 -3.712 -3.720 -9.949 1.00 0.00 C ATOM 0 H LEU A 16 -5.230 -6.595 -7.636 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.714 -7.059 -10.062 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.749 -5.776 -7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.172 -5.503 -9.129 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.025 -4.845 -8.699 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.527 -2.713 -7.566 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.114 -4.114 -6.550 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.828 -3.211 -7.386 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.384 -2.865 -10.022 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.679 -3.371 -9.943 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.868 -4.378 -10.804 1.00 0.00 H new ATOM 294 N ILE A 17 -2.724 -8.331 -7.176 1.00 0.00 N ATOM 295 CA ILE A 17 -1.923 -9.391 -6.574 1.00 0.00 C ATOM 296 C ILE A 17 -2.519 -10.761 -6.865 1.00 0.00 C ATOM 297 O ILE A 17 -1.928 -11.568 -7.585 1.00 0.00 O ATOM 298 CB ILE A 17 -1.801 -9.208 -5.048 1.00 0.00 C ATOM 299 CG1 ILE A 17 -1.353 -7.783 -4.714 1.00 0.00 C ATOM 300 CG2 ILE A 17 -0.829 -10.225 -4.467 1.00 0.00 C ATOM 301 CD1 ILE A 17 0.032 -7.449 -5.225 1.00 0.00 C ATOM 0 H ILE A 17 -3.210 -7.738 -6.504 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.930 -9.328 -7.019 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.781 -9.374 -4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.068 -7.077 -5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.375 -7.648 -3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.754 -10.082 -3.389 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.189 -11.233 -4.676 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.153 -10.090 -4.920 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.283 -6.424 -4.952 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.758 -8.131 -4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.054 -7.551 -6.310 1.00 0.00 H new ATOM 313 N GLU A 18 -3.691 -11.016 -6.298 1.00 0.00 N ATOM 314 CA GLU A 18 -4.385 -12.291 -6.485 1.00 0.00 C ATOM 315 C GLU A 18 -3.747 -13.405 -5.654 1.00 0.00 C ATOM 316 O GLU A 18 -4.188 -14.552 -5.703 1.00 0.00 O ATOM 317 CB GLU A 18 -4.393 -12.688 -7.965 1.00 0.00 C ATOM 318 CG GLU A 18 -5.692 -13.340 -8.412 1.00 0.00 C ATOM 319 CD GLU A 18 -5.586 -14.851 -8.495 1.00 0.00 C ATOM 320 OE1 GLU A 18 -4.472 -15.356 -8.749 1.00 0.00 O ATOM 321 OE2 GLU A 18 -6.618 -15.529 -8.308 1.00 0.00 O ATOM 0 H GLU A 18 -4.186 -10.354 -5.700 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.411 -12.156 -6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.214 -11.800 -8.572 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.568 -13.375 -8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.487 -13.073 -7.716 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.976 -12.945 -9.387 1.00 0.00 H new ATOM 328 N ASN A 19 -2.711 -13.065 -4.887 1.00 0.00 N ATOM 329 CA ASN A 19 -2.027 -14.044 -4.053 1.00 0.00 C ATOM 330 C ASN A 19 -2.266 -13.759 -2.574 1.00 0.00 C ATOM 331 O ASN A 19 -2.825 -12.723 -2.214 1.00 0.00 O ATOM 332 CB ASN A 19 -0.527 -14.037 -4.350 1.00 0.00 C ATOM 333 CG ASN A 19 0.131 -15.365 -4.029 1.00 0.00 C ATOM 334 OD1 ASN A 19 0.734 -15.533 -2.968 1.00 0.00 O ATOM 335 ND2 ASN A 19 0.019 -16.319 -4.946 1.00 0.00 N ATOM 0 H ASN A 19 -2.330 -12.121 -4.828 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.432 -15.029 -4.285 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.369 -13.801 -5.402 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.048 -13.248 -3.771 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.441 -17.233 -4.785 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.489 -16.137 -5.811 1.00 0.00 H new ATOM 342 N ASP A 20 -1.839 -14.684 -1.722 1.00 0.00 N ATOM 343 CA ASP A 20 -2.006 -14.531 -0.281 1.00 0.00 C ATOM 344 C ASP A 20 -0.684 -14.153 0.378 1.00 0.00 C ATOM 345 O ASP A 20 -0.654 -13.364 1.323 1.00 0.00 O ATOM 346 CB ASP A 20 -2.544 -15.825 0.332 1.00 0.00 C ATOM 347 CG ASP A 20 -3.568 -15.569 1.421 1.00 0.00 C ATOM 348 OD1 ASP A 20 -4.746 -15.327 1.082 1.00 0.00 O ATOM 349 OD2 ASP A 20 -3.191 -15.608 2.610 1.00 0.00 O ATOM 0 H ASP A 20 -1.375 -15.547 -2.004 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.724 -13.730 -0.104 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.996 -16.434 -0.451 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.715 -16.400 0.745 1.00 0.00 H new ATOM 354 N ALA A 21 0.405 -14.718 -0.129 1.00 0.00 N ATOM 355 CA ALA A 21 1.732 -14.441 0.407 1.00 0.00 C ATOM 356 C ALA A 21 2.138 -12.997 0.148 1.00 0.00 C ATOM 357 O ALA A 21 2.482 -12.259 1.071 1.00 0.00 O ATOM 358 CB ALA A 21 2.752 -15.396 -0.194 1.00 0.00 C ATOM 0 H ALA A 21 0.395 -15.372 -0.912 1.00 0.00 H new ATOM 0 HA ALA A 21 1.701 -14.592 1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.739 -15.179 0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.477 -16.422 0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.772 -15.272 -1.277 1.00 0.00 H new ATOM 364 N GLU A 22 2.095 -12.601 -1.118 1.00 0.00 N ATOM 365 CA GLU A 22 2.457 -11.244 -1.510 1.00 0.00 C ATOM 366 C GLU A 22 1.565 -10.222 -0.817 1.00 0.00 C ATOM 367 O GLU A 22 2.028 -9.162 -0.395 1.00 0.00 O ATOM 368 CB GLU A 22 2.356 -11.085 -3.028 1.00 0.00 C ATOM 369 CG GLU A 22 3.526 -11.696 -3.782 1.00 0.00 C ATOM 370 CD GLU A 22 3.321 -13.168 -4.083 1.00 0.00 C ATOM 371 OE1 GLU A 22 2.177 -13.556 -4.396 1.00 0.00 O ATOM 372 OE2 GLU A 22 4.307 -13.931 -4.006 1.00 0.00 O ATOM 0 H GLU A 22 1.812 -13.201 -1.893 1.00 0.00 H new ATOM 0 HA GLU A 22 3.487 -11.066 -1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.431 -11.547 -3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.292 -10.024 -3.271 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.673 -11.155 -4.717 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.436 -11.572 -3.195 1.00 0.00 H new ATOM 379 N LYS A 23 0.283 -10.547 -0.699 1.00 0.00 N ATOM 380 CA LYS A 23 -0.675 -9.658 -0.052 1.00 0.00 C ATOM 381 C LYS A 23 -0.376 -9.543 1.440 1.00 0.00 C ATOM 382 O LYS A 23 -0.627 -8.507 2.054 1.00 0.00 O ATOM 383 CB LYS A 23 -2.102 -10.165 -0.265 1.00 0.00 C ATOM 384 CG LYS A 23 -2.812 -9.508 -1.438 1.00 0.00 C ATOM 385 CD LYS A 23 -4.288 -9.290 -1.144 1.00 0.00 C ATOM 386 CE LYS A 23 -5.030 -10.610 -1.007 1.00 0.00 C ATOM 387 NZ LYS A 23 -5.940 -10.617 0.171 1.00 0.00 N ATOM 0 H LYS A 23 -0.117 -11.420 -1.043 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.583 -8.670 -0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.076 -11.243 -0.424 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.680 -9.991 0.643 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.339 -8.552 -1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.705 -10.132 -2.325 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.396 -8.714 -0.225 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.736 -8.701 -1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.607 -10.797 -1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.310 -11.423 -0.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.427 -11.534 0.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.387 -10.464 1.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.644 -9.858 0.071 1.00 0.00 H new ATOM 401 N ASP A 24 0.169 -10.611 2.014 1.00 0.00 N ATOM 402 CA ASP A 24 0.510 -10.622 3.432 1.00 0.00 C ATOM 403 C ASP A 24 1.737 -9.755 3.689 1.00 0.00 C ATOM 404 O ASP A 24 1.869 -9.144 4.749 1.00 0.00 O ATOM 405 CB ASP A 24 0.769 -12.052 3.908 1.00 0.00 C ATOM 406 CG ASP A 24 0.772 -12.166 5.418 1.00 0.00 C ATOM 407 OD1 ASP A 24 1.804 -11.831 6.037 1.00 0.00 O ATOM 408 OD2 ASP A 24 -0.257 -12.592 5.985 1.00 0.00 O ATOM 0 H ASP A 24 0.383 -11.478 1.521 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.332 -10.214 3.992 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.005 -12.713 3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.728 -12.394 3.519 1.00 0.00 H new ATOM 413 N TYR A 25 2.629 -9.704 2.704 1.00 0.00 N ATOM 414 CA TYR A 25 3.846 -8.909 2.813 1.00 0.00 C ATOM 415 C TYR A 25 3.518 -7.420 2.786 1.00 0.00 C ATOM 416 O TYR A 25 3.980 -6.656 3.634 1.00 0.00 O ATOM 417 CB TYR A 25 4.807 -9.253 1.674 1.00 0.00 C ATOM 418 CG TYR A 25 6.265 -9.191 2.068 1.00 0.00 C ATOM 419 CD1 TYR A 25 6.829 -8.009 2.530 1.00 0.00 C ATOM 420 CD2 TYR A 25 7.076 -10.314 1.976 1.00 0.00 C ATOM 421 CE1 TYR A 25 8.163 -7.949 2.890 1.00 0.00 C ATOM 422 CE2 TYR A 25 8.409 -10.264 2.335 1.00 0.00 C ATOM 423 CZ TYR A 25 8.948 -9.078 2.791 1.00 0.00 C ATOM 424 OH TYR A 25 10.275 -9.022 3.150 1.00 0.00 O ATOM 0 H TYR A 25 2.531 -10.205 1.821 1.00 0.00 H new ATOM 0 HA TYR A 25 4.325 -9.143 3.764 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.581 -10.255 1.310 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.634 -8.566 0.845 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.216 -7.123 2.609 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.657 -11.243 1.618 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.588 -7.022 3.247 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.026 -11.147 2.259 1.00 0.00 H new ATOM 0 HH TYR A 25 10.686 -9.902 3.022 1.00 0.00 H new ATOM 434 N LEU A 26 2.717 -7.016 1.806 1.00 0.00 N ATOM 435 CA LEU A 26 2.323 -5.618 1.668 1.00 0.00 C ATOM 436 C LEU A 26 1.448 -5.184 2.839 1.00 0.00 C ATOM 437 O LEU A 26 1.520 -4.040 3.290 1.00 0.00 O ATOM 438 CB LEU A 26 1.584 -5.402 0.341 1.00 0.00 C ATOM 439 CG LEU A 26 0.131 -5.878 0.314 1.00 0.00 C ATOM 440 CD1 LEU A 26 -0.793 -4.809 0.875 1.00 0.00 C ATOM 441 CD2 LEU A 26 -0.280 -6.252 -1.102 1.00 0.00 C ATOM 0 H LEU A 26 2.328 -7.636 1.096 1.00 0.00 H new ATOM 0 HA LEU A 26 3.225 -5.006 1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.605 -4.339 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.132 -5.917 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 26 0.048 -6.765 0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.822 -5.167 0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.513 -4.590 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.707 -3.903 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.317 -6.589 -1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.180 -5.382 -1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.362 -7.053 -1.468 1.00 0.00 H new ATOM 453 N TYR A 27 0.625 -6.106 3.329 1.00 0.00 N ATOM 454 CA TYR A 27 -0.260 -5.819 4.452 1.00 0.00 C ATOM 455 C TYR A 27 0.544 -5.582 5.725 1.00 0.00 C ATOM 456 O TYR A 27 0.197 -4.729 6.542 1.00 0.00 O ATOM 457 CB TYR A 27 -1.246 -6.970 4.661 1.00 0.00 C ATOM 458 CG TYR A 27 -2.622 -6.701 4.093 1.00 0.00 C ATOM 459 CD1 TYR A 27 -2.823 -6.602 2.723 1.00 0.00 C ATOM 460 CD2 TYR A 27 -3.720 -6.545 4.931 1.00 0.00 C ATOM 461 CE1 TYR A 27 -4.079 -6.354 2.202 1.00 0.00 C ATOM 462 CE2 TYR A 27 -4.979 -6.299 4.417 1.00 0.00 C ATOM 463 CZ TYR A 27 -5.152 -6.205 3.053 1.00 0.00 C ATOM 464 OH TYR A 27 -6.405 -5.959 2.539 1.00 0.00 O ATOM 0 H TYR A 27 0.553 -7.057 2.967 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.820 -4.912 4.222 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.842 -7.871 4.200 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.336 -7.171 5.729 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.984 -6.721 2.053 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.587 -6.617 6.000 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.218 -6.277 1.134 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.823 -6.181 5.081 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.050 -5.881 3.273 1.00 0.00 H new ATOM 474 N ASP A 28 1.624 -6.339 5.882 1.00 0.00 N ATOM 475 CA ASP A 28 2.483 -6.210 7.051 1.00 0.00 C ATOM 476 C ASP A 28 3.254 -4.896 7.013 1.00 0.00 C ATOM 477 O ASP A 28 3.476 -4.264 8.046 1.00 0.00 O ATOM 478 CB ASP A 28 3.459 -7.386 7.126 1.00 0.00 C ATOM 479 CG ASP A 28 4.101 -7.521 8.493 1.00 0.00 C ATOM 480 OD1 ASP A 28 3.365 -7.770 9.471 1.00 0.00 O ATOM 481 OD2 ASP A 28 5.338 -7.376 8.586 1.00 0.00 O ATOM 0 H ASP A 28 1.925 -7.048 5.214 1.00 0.00 H new ATOM 0 HA ASP A 28 1.851 -6.216 7.939 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.931 -8.308 6.883 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.237 -7.257 6.374 1.00 0.00 H new ATOM 486 N VAL A 29 3.657 -4.488 5.814 1.00 0.00 N ATOM 487 CA VAL A 29 4.399 -3.247 5.639 1.00 0.00 C ATOM 488 C VAL A 29 3.562 -2.046 6.065 1.00 0.00 C ATOM 489 O VAL A 29 4.023 -1.194 6.824 1.00 0.00 O ATOM 490 CB VAL A 29 4.842 -3.056 4.174 1.00 0.00 C ATOM 491 CG1 VAL A 29 5.822 -1.898 4.059 1.00 0.00 C ATOM 492 CG2 VAL A 29 5.451 -4.338 3.623 1.00 0.00 C ATOM 0 H VAL A 29 3.482 -5.000 4.949 1.00 0.00 H new ATOM 0 HA VAL A 29 5.285 -3.315 6.271 1.00 0.00 H new ATOM 0 HB VAL A 29 3.961 -2.818 3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.123 -1.778 3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.345 -0.982 4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.701 -2.103 4.670 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.756 -4.180 2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.320 -4.614 4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.713 -5.139 3.665 1.00 0.00 H new ATOM 502 N LEU A 30 2.330 -1.986 5.570 1.00 0.00 N ATOM 503 CA LEU A 30 1.426 -0.890 5.902 1.00 0.00 C ATOM 504 C LEU A 30 1.126 -0.869 7.397 1.00 0.00 C ATOM 505 O LEU A 30 1.132 0.190 8.027 1.00 0.00 O ATOM 506 CB LEU A 30 0.124 -1.018 5.111 1.00 0.00 C ATOM 507 CG LEU A 30 0.282 -0.979 3.590 1.00 0.00 C ATOM 508 CD1 LEU A 30 -0.852 -1.735 2.915 1.00 0.00 C ATOM 509 CD2 LEU A 30 0.333 0.459 3.096 1.00 0.00 C ATOM 0 H LEU A 30 1.935 -2.682 4.938 1.00 0.00 H new ATOM 0 HA LEU A 30 1.915 0.046 5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.360 -1.955 5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.546 -0.213 5.412 1.00 0.00 H new ATOM 0 HG LEU A 30 1.222 -1.466 3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.722 -1.696 1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.843 -2.774 3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.804 -1.277 3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.446 0.468 2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.590 0.970 3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.180 0.971 3.553 1.00 0.00 H new ATOM 521 N ARG A 31 0.866 -2.045 7.960 1.00 0.00 N ATOM 522 CA ARG A 31 0.564 -2.162 9.383 1.00 0.00 C ATOM 523 C ARG A 31 1.712 -1.617 10.227 1.00 0.00 C ATOM 524 O ARG A 31 1.493 -1.012 11.277 1.00 0.00 O ATOM 525 CB ARG A 31 0.292 -3.623 9.748 1.00 0.00 C ATOM 526 CG ARG A 31 -1.167 -3.905 10.078 1.00 0.00 C ATOM 527 CD ARG A 31 -1.803 -4.831 9.053 1.00 0.00 C ATOM 528 NE ARG A 31 -3.158 -5.223 9.436 1.00 0.00 N ATOM 529 CZ ARG A 31 -4.225 -4.444 9.284 1.00 0.00 C ATOM 530 NH1 ARG A 31 -4.102 -3.232 8.756 1.00 0.00 N ATOM 531 NH2 ARG A 31 -5.421 -4.878 9.659 1.00 0.00 N ATOM 0 H ARG A 31 0.858 -2.930 7.453 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.328 -1.572 9.592 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.598 -4.260 8.918 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.909 -3.896 10.604 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.236 -4.355 11.068 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.720 -2.967 10.115 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.830 -4.334 8.083 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.186 -5.722 8.938 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.293 -6.148 9.844 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.185 -2.893 8.464 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.924 -2.639 8.642 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.522 -5.809 10.064 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.240 -4.281 9.543 1.00 0.00 H new ATOM 545 N MET A 32 2.935 -1.834 9.759 1.00 0.00 N ATOM 546 CA MET A 32 4.120 -1.363 10.467 1.00 0.00 C ATOM 547 C MET A 32 4.349 0.122 10.210 1.00 0.00 C ATOM 548 O MET A 32 4.789 0.855 11.095 1.00 0.00 O ATOM 549 CB MET A 32 5.351 -2.164 10.036 1.00 0.00 C ATOM 550 CG MET A 32 5.502 -3.488 10.767 1.00 0.00 C ATOM 551 SD MET A 32 5.924 -3.276 12.508 1.00 0.00 S ATOM 552 CE MET A 32 4.758 -4.396 13.277 1.00 0.00 C ATOM 0 H MET A 32 3.133 -2.333 8.892 1.00 0.00 H new ATOM 0 HA MET A 32 3.958 -1.509 11.535 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.293 -2.355 8.964 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.244 -1.561 10.205 1.00 0.00 H new ATOM 0 HG2 MET A 32 4.571 -4.050 10.689 1.00 0.00 H new ATOM 0 HG3 MET A 32 6.275 -4.082 10.279 1.00 0.00 H new ATOM 0 HE1 MET A 32 4.894 -4.377 14.358 1.00 0.00 H new ATOM 0 HE2 MET A 32 3.742 -4.086 13.034 1.00 0.00 H new ATOM 0 HE3 MET A 32 4.927 -5.407 12.908 1.00 0.00 H new ATOM 562 N TYR A 33 4.044 0.559 8.991 1.00 0.00 N ATOM 563 CA TYR A 33 4.215 1.958 8.614 1.00 0.00 C ATOM 564 C TYR A 33 3.393 2.869 9.520 1.00 0.00 C ATOM 565 O TYR A 33 3.819 3.971 9.860 1.00 0.00 O ATOM 566 CB TYR A 33 3.807 2.162 7.153 1.00 0.00 C ATOM 567 CG TYR A 33 3.844 3.607 6.704 1.00 0.00 C ATOM 568 CD1 TYR A 33 5.033 4.324 6.699 1.00 0.00 C ATOM 569 CD2 TYR A 33 2.686 4.254 6.286 1.00 0.00 C ATOM 570 CE1 TYR A 33 5.069 5.644 6.290 1.00 0.00 C ATOM 571 CE2 TYR A 33 2.716 5.572 5.874 1.00 0.00 C ATOM 572 CZ TYR A 33 3.908 6.263 5.878 1.00 0.00 C ATOM 573 OH TYR A 33 3.942 7.576 5.469 1.00 0.00 O ATOM 0 H TYR A 33 3.677 -0.036 8.248 1.00 0.00 H new ATOM 0 HA TYR A 33 5.267 2.218 8.730 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.469 1.576 6.515 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.799 1.772 7.009 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.945 3.842 7.020 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.749 3.717 6.284 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.002 6.188 6.293 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.808 6.059 5.550 1.00 0.00 H new ATOM 0 HH TYR A 33 3.640 8.154 6.200 1.00 0.00 H new ATOM 583 N HIS A 34 2.213 2.399 9.908 1.00 0.00 N ATOM 584 CA HIS A 34 1.331 3.170 10.774 1.00 0.00 C ATOM 585 C HIS A 34 1.994 3.446 12.121 1.00 0.00 C ATOM 586 O HIS A 34 2.084 4.595 12.555 1.00 0.00 O ATOM 587 CB HIS A 34 0.010 2.426 10.987 1.00 0.00 C ATOM 588 CG HIS A 34 -1.163 3.333 11.187 1.00 0.00 C ATOM 589 ND1 HIS A 34 -2.001 3.249 12.279 1.00 0.00 N ATOM 590 CD2 HIS A 34 -1.637 4.350 10.428 1.00 0.00 C ATOM 591 CE1 HIS A 34 -2.940 4.173 12.182 1.00 0.00 C ATOM 592 NE2 HIS A 34 -2.741 4.854 11.069 1.00 0.00 N ATOM 0 H HIS A 34 1.845 1.487 9.636 1.00 0.00 H new ATOM 0 HA HIS A 34 1.129 4.123 10.286 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -0.179 1.785 10.126 1.00 0.00 H new ATOM 0 HB3 HIS A 34 0.106 1.773 11.855 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.224 4.699 9.493 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.735 4.342 12.893 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.315 5.630 10.739 1.00 0.00 H new ATOM 601 N GLN A 35 2.456 2.387 12.777 1.00 0.00 N ATOM 602 CA GLN A 35 3.108 2.514 14.074 1.00 0.00 C ATOM 603 C GLN A 35 4.518 3.075 13.929 1.00 0.00 C ATOM 604 O GLN A 35 4.869 4.074 14.555 1.00 0.00 O ATOM 605 CB GLN A 35 3.157 1.157 14.779 1.00 0.00 C ATOM 606 CG GLN A 35 1.813 0.711 15.330 1.00 0.00 C ATOM 607 CD GLN A 35 1.112 -0.285 14.426 1.00 0.00 C ATOM 608 OE1 GLN A 35 1.649 -1.349 14.121 1.00 0.00 O ATOM 609 NE2 GLN A 35 -0.094 0.058 13.991 1.00 0.00 N ATOM 0 H GLN A 35 2.391 1.430 12.431 1.00 0.00 H new ATOM 0 HA GLN A 35 2.523 3.210 14.676 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.521 0.405 14.078 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.877 1.207 15.596 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.958 0.264 16.313 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.174 1.583 15.468 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.502 0.951 14.269 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.613 -0.571 13.379 1.00 0.00 H new ATOM 618 N THR A 36 5.320 2.422 13.100 1.00 0.00 N ATOM 619 CA THR A 36 6.696 2.847 12.869 1.00 0.00 C ATOM 620 C THR A 36 6.745 4.262 12.301 1.00 0.00 C ATOM 621 O THR A 36 7.549 5.087 12.736 1.00 0.00 O ATOM 622 CB THR A 36 7.398 1.878 11.916 1.00 0.00 C ATOM 623 OG1 THR A 36 6.917 2.037 10.593 1.00 0.00 O ATOM 624 CG2 THR A 36 7.217 0.426 12.299 1.00 0.00 C ATOM 0 H THR A 36 5.042 1.593 12.574 1.00 0.00 H new ATOM 0 HA THR A 36 7.214 2.844 13.828 1.00 0.00 H new ATOM 0 HB THR A 36 8.457 2.125 11.983 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.939 1.977 10.591 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.740 -0.207 11.582 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.625 0.259 13.296 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.156 0.178 12.295 1.00 0.00 H new ATOM 632 N MET A 37 5.881 4.538 11.328 1.00 0.00 N ATOM 633 CA MET A 37 5.828 5.853 10.701 1.00 0.00 C ATOM 634 C MET A 37 7.112 6.140 9.927 1.00 0.00 C ATOM 635 O MET A 37 7.831 7.097 10.223 1.00 0.00 O ATOM 636 CB MET A 37 5.591 6.938 11.757 1.00 0.00 C ATOM 637 CG MET A 37 4.593 8.002 11.323 1.00 0.00 C ATOM 638 SD MET A 37 3.012 7.865 12.181 1.00 0.00 S ATOM 639 CE MET A 37 1.994 7.133 10.901 1.00 0.00 C ATOM 0 H MET A 37 5.208 3.867 10.957 1.00 0.00 H new ATOM 0 HA MET A 37 4.996 5.860 9.997 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.234 6.469 12.674 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.541 7.417 11.993 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.017 8.989 11.507 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.427 7.922 10.249 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.277 6.448 11.354 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.458 7.919 10.369 1.00 0.00 H new ATOM 0 HE3 MET A 37 2.626 6.587 10.201 1.00 0.00 H new ATOM 649 N ASP A 38 7.396 5.305 8.933 1.00 0.00 N ATOM 650 CA ASP A 38 8.593 5.467 8.114 1.00 0.00 C ATOM 651 C ASP A 38 8.276 5.236 6.640 1.00 0.00 C ATOM 652 O ASP A 38 8.026 4.106 6.218 1.00 0.00 O ATOM 653 CB ASP A 38 9.684 4.497 8.572 1.00 0.00 C ATOM 654 CG ASP A 38 11.071 5.103 8.482 1.00 0.00 C ATOM 655 OD1 ASP A 38 11.491 5.460 7.361 1.00 0.00 O ATOM 656 OD2 ASP A 38 11.737 5.222 9.532 1.00 0.00 O ATOM 0 H ASP A 38 6.813 4.509 8.675 1.00 0.00 H new ATOM 0 HA ASP A 38 8.952 6.489 8.235 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.489 4.194 9.601 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.644 3.595 7.961 1.00 0.00 H new ATOM 661 N VAL A 39 8.286 6.313 5.861 1.00 0.00 N ATOM 662 CA VAL A 39 7.997 6.231 4.434 1.00 0.00 C ATOM 663 C VAL A 39 9.068 5.427 3.702 1.00 0.00 C ATOM 664 O VAL A 39 8.764 4.653 2.795 1.00 0.00 O ATOM 665 CB VAL A 39 7.894 7.630 3.798 1.00 0.00 C ATOM 666 CG1 VAL A 39 7.440 7.528 2.350 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.951 8.514 4.599 1.00 0.00 C ATOM 0 H VAL A 39 8.492 7.255 6.195 1.00 0.00 H new ATOM 0 HA VAL A 39 7.036 5.726 4.335 1.00 0.00 H new ATOM 0 HB VAL A 39 8.883 8.088 3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.373 8.527 1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.159 6.935 1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.462 7.049 2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.892 9.498 4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.959 8.062 4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.325 8.616 5.618 1.00 0.00 H new ATOM 677 N ALA A 40 10.321 5.618 4.101 1.00 0.00 N ATOM 678 CA ALA A 40 11.436 4.913 3.482 1.00 0.00 C ATOM 679 C ALA A 40 11.263 3.402 3.595 1.00 0.00 C ATOM 680 O ALA A 40 11.543 2.662 2.651 1.00 0.00 O ATOM 681 CB ALA A 40 12.750 5.342 4.119 1.00 0.00 C ATOM 0 H ALA A 40 10.589 6.256 4.851 1.00 0.00 H new ATOM 0 HA ALA A 40 11.454 5.173 2.424 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.575 4.808 3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.887 6.415 3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.730 5.111 5.184 1.00 0.00 H new ATOM 687 N VAL A 41 10.799 2.950 4.756 1.00 0.00 N ATOM 688 CA VAL A 41 10.588 1.527 4.993 1.00 0.00 C ATOM 689 C VAL A 41 9.362 1.017 4.242 1.00 0.00 C ATOM 690 O VAL A 41 9.349 -0.110 3.748 1.00 0.00 O ATOM 691 CB VAL A 41 10.418 1.226 6.494 1.00 0.00 C ATOM 692 CG1 VAL A 41 10.405 -0.274 6.740 1.00 0.00 C ATOM 693 CG2 VAL A 41 11.518 1.898 7.302 1.00 0.00 C ATOM 0 H VAL A 41 10.562 3.549 5.547 1.00 0.00 H new ATOM 0 HA VAL A 41 11.475 1.012 4.624 1.00 0.00 H new ATOM 0 HB VAL A 41 9.461 1.632 6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.284 -0.467 7.806 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.577 -0.725 6.193 1.00 0.00 H new ATOM 0 HG13 VAL A 41 11.345 -0.707 6.397 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.381 1.674 8.360 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.489 1.526 6.975 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.473 2.977 7.151 1.00 0.00 H new ATOM 703 N LEU A 42 8.334 1.855 4.161 1.00 0.00 N ATOM 704 CA LEU A 42 7.103 1.489 3.473 1.00 0.00 C ATOM 705 C LEU A 42 7.338 1.336 1.974 1.00 0.00 C ATOM 706 O LEU A 42 6.986 0.315 1.382 1.00 0.00 O ATOM 707 CB LEU A 42 6.020 2.542 3.726 1.00 0.00 C ATOM 708 CG LEU A 42 4.706 2.318 2.972 1.00 0.00 C ATOM 709 CD1 LEU A 42 3.945 1.141 3.565 1.00 0.00 C ATOM 710 CD2 LEU A 42 3.854 3.577 3.003 1.00 0.00 C ATOM 0 H LEU A 42 8.330 2.792 4.564 1.00 0.00 H new ATOM 0 HA LEU A 42 6.769 0.530 3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.807 2.572 4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.415 3.520 3.452 1.00 0.00 H new ATOM 0 HG LEU A 42 4.939 2.087 1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.014 0.996 3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.554 0.240 3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.722 1.343 4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.924 3.400 2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.629 3.839 4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.398 4.396 2.532 1.00 0.00 H new ATOM 722 N VAL A 43 7.934 2.356 1.365 1.00 0.00 N ATOM 723 CA VAL A 43 8.213 2.334 -0.066 1.00 0.00 C ATOM 724 C VAL A 43 9.239 1.258 -0.409 1.00 0.00 C ATOM 725 O VAL A 43 9.060 0.497 -1.359 1.00 0.00 O ATOM 726 CB VAL A 43 8.731 3.698 -0.560 1.00 0.00 C ATOM 727 CG1 VAL A 43 8.875 3.701 -2.074 1.00 0.00 C ATOM 728 CG2 VAL A 43 7.808 4.818 -0.104 1.00 0.00 C ATOM 0 H VAL A 43 8.233 3.208 1.840 1.00 0.00 H new ATOM 0 HA VAL A 43 7.272 2.109 -0.568 1.00 0.00 H new ATOM 0 HB VAL A 43 9.716 3.869 -0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.242 4.673 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.581 2.926 -2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.905 3.505 -2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.191 5.774 -0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.809 4.653 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.762 4.831 0.985 1.00 0.00 H new ATOM 738 N GLY A 44 10.316 1.204 0.369 1.00 0.00 N ATOM 739 CA GLY A 44 11.357 0.220 0.128 1.00 0.00 C ATOM 740 C GLY A 44 10.833 -1.203 0.155 1.00 0.00 C ATOM 741 O GLY A 44 11.065 -1.975 -0.775 1.00 0.00 O ATOM 0 H GLY A 44 10.487 1.823 1.161 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.819 0.415 -0.840 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.137 0.330 0.881 1.00 0.00 H new ATOM 745 N ASP A 45 10.127 -1.551 1.226 1.00 0.00 N ATOM 746 CA ASP A 45 9.572 -2.893 1.374 1.00 0.00 C ATOM 747 C ASP A 45 8.544 -3.183 0.284 1.00 0.00 C ATOM 748 O ASP A 45 8.584 -4.234 -0.356 1.00 0.00 O ATOM 749 CB ASP A 45 8.928 -3.051 2.753 1.00 0.00 C ATOM 750 CG ASP A 45 9.134 -4.437 3.330 1.00 0.00 C ATOM 751 OD1 ASP A 45 10.112 -5.106 2.934 1.00 0.00 O ATOM 752 OD2 ASP A 45 8.317 -4.854 4.177 1.00 0.00 O ATOM 0 H ASP A 45 9.925 -0.923 2.004 1.00 0.00 H new ATOM 0 HA ASP A 45 10.388 -3.609 1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.347 -2.311 3.434 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.860 -2.846 2.678 1.00 0.00 H new ATOM 757 N LEU A 46 7.623 -2.246 0.079 1.00 0.00 N ATOM 758 CA LEU A 46 6.584 -2.402 -0.931 1.00 0.00 C ATOM 759 C LEU A 46 7.192 -2.636 -2.311 1.00 0.00 C ATOM 760 O LEU A 46 6.638 -3.370 -3.128 1.00 0.00 O ATOM 761 CB LEU A 46 5.681 -1.166 -0.960 1.00 0.00 C ATOM 762 CG LEU A 46 4.427 -1.260 -0.090 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.963 0.126 0.329 1.00 0.00 C ATOM 764 CD2 LEU A 46 3.319 -1.993 -0.831 1.00 0.00 C ATOM 0 H LEU A 46 7.576 -1.370 0.600 1.00 0.00 H new ATOM 0 HA LEU A 46 5.986 -3.274 -0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.263 -0.302 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.377 -0.981 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 46 4.673 -1.826 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.070 0.039 0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.752 0.617 0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.734 0.717 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.434 -2.051 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.075 -1.454 -1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.653 -3.000 -1.081 1.00 0.00 H new ATOM 776 N LYS A 47 8.335 -2.007 -2.563 1.00 0.00 N ATOM 777 CA LYS A 47 9.017 -2.147 -3.843 1.00 0.00 C ATOM 778 C LYS A 47 9.606 -3.548 -3.994 1.00 0.00 C ATOM 779 O LYS A 47 9.515 -4.158 -5.059 1.00 0.00 O ATOM 780 CB LYS A 47 10.122 -1.097 -3.978 1.00 0.00 C ATOM 781 CG LYS A 47 10.056 -0.307 -5.275 1.00 0.00 C ATOM 782 CD LYS A 47 9.318 1.010 -5.089 1.00 0.00 C ATOM 783 CE LYS A 47 9.621 1.981 -6.218 1.00 0.00 C ATOM 784 NZ LYS A 47 8.684 1.810 -7.364 1.00 0.00 N ATOM 0 H LYS A 47 8.808 -1.396 -1.898 1.00 0.00 H new ATOM 0 HA LYS A 47 8.284 -1.992 -4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.059 -0.406 -3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.091 -1.591 -3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.066 -0.111 -5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.555 -0.901 -6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.245 0.824 -5.045 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.603 1.457 -4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.556 3.003 -5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.645 1.831 -6.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.924 2.490 -8.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.764 0.842 -7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.709 1.978 -7.043 1.00 0.00 H new ATOM 798 N LEU A 48 10.207 -4.050 -2.918 1.00 0.00 N ATOM 799 CA LEU A 48 10.809 -5.380 -2.930 1.00 0.00 C ATOM 800 C LEU A 48 9.787 -6.438 -3.328 1.00 0.00 C ATOM 801 O LEU A 48 10.017 -7.221 -4.252 1.00 0.00 O ATOM 802 CB LEU A 48 11.391 -5.712 -1.554 1.00 0.00 C ATOM 803 CG LEU A 48 12.510 -4.781 -1.082 1.00 0.00 C ATOM 804 CD1 LEU A 48 12.587 -4.770 0.437 1.00 0.00 C ATOM 805 CD2 LEU A 48 13.842 -5.203 -1.682 1.00 0.00 C ATOM 0 H LEU A 48 10.290 -3.557 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 48 11.611 -5.380 -3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.585 -5.688 -0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.773 -6.733 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 48 12.285 -3.770 -1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.388 -4.103 0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.639 -4.421 0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.789 -5.778 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.627 -4.530 -1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.075 -6.222 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.781 -5.160 -2.769 1.00 0.00 H new ATOM 817 N VAL A 49 8.655 -6.455 -2.632 1.00 0.00 N ATOM 818 CA VAL A 49 7.596 -7.412 -2.920 1.00 0.00 C ATOM 819 C VAL A 49 7.001 -7.153 -4.298 1.00 0.00 C ATOM 820 O VAL A 49 6.803 -8.074 -5.091 1.00 0.00 O ATOM 821 CB VAL A 49 6.485 -7.357 -1.846 1.00 0.00 C ATOM 822 CG1 VAL A 49 5.497 -6.226 -2.109 1.00 0.00 C ATOM 823 CG2 VAL A 49 5.765 -8.694 -1.755 1.00 0.00 C ATOM 0 H VAL A 49 8.449 -5.816 -1.864 1.00 0.00 H new ATOM 0 HA VAL A 49 8.037 -8.409 -2.906 1.00 0.00 H new ATOM 0 HB VAL A 49 6.963 -7.152 -0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.733 -6.222 -1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.025 -5.273 -2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.026 -6.373 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.986 -8.637 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.314 -8.931 -2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.478 -9.474 -1.487 1.00 0.00 H new ATOM 833 N ILE A 50 6.725 -5.885 -4.570 1.00 0.00 N ATOM 834 CA ILE A 50 6.157 -5.473 -5.845 1.00 0.00 C ATOM 835 C ILE A 50 7.170 -5.669 -6.977 1.00 0.00 C ATOM 836 O ILE A 50 7.181 -6.705 -7.640 1.00 0.00 O ATOM 837 CB ILE A 50 5.695 -3.997 -5.790 1.00 0.00 C ATOM 838 CG1 ILE A 50 4.468 -3.864 -4.885 1.00 0.00 C ATOM 839 CG2 ILE A 50 5.390 -3.460 -7.182 1.00 0.00 C ATOM 840 CD1 ILE A 50 4.064 -2.430 -4.621 1.00 0.00 C ATOM 0 H ILE A 50 6.887 -5.118 -3.918 1.00 0.00 H new ATOM 0 HA ILE A 50 5.288 -6.099 -6.044 1.00 0.00 H new ATOM 0 HB ILE A 50 6.509 -3.402 -5.375 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.630 -4.391 -5.343 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.673 -4.356 -3.934 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.068 -2.421 -7.109 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.286 -3.520 -7.799 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.597 -4.054 -7.636 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.188 -2.412 -3.973 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.886 -1.904 -4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.827 -1.939 -5.565 1.00 0.00 H new ATOM 852 N ASN A 51 8.020 -4.670 -7.183 1.00 0.00 N ATOM 853 CA ASN A 51 9.046 -4.727 -8.222 1.00 0.00 C ATOM 854 C ASN A 51 8.449 -5.077 -9.584 1.00 0.00 C ATOM 855 O ASN A 51 9.086 -5.747 -10.396 1.00 0.00 O ATOM 856 CB ASN A 51 10.120 -5.752 -7.842 1.00 0.00 C ATOM 857 CG ASN A 51 11.471 -5.107 -7.594 1.00 0.00 C ATOM 858 OD1 ASN A 51 12.094 -4.572 -8.511 1.00 0.00 O ATOM 859 ND2 ASN A 51 11.930 -5.158 -6.349 1.00 0.00 N ATOM 0 H ASN A 51 8.020 -3.805 -6.642 1.00 0.00 H new ATOM 0 HA ASN A 51 9.497 -3.738 -8.300 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.806 -6.288 -6.946 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.213 -6.490 -8.639 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.834 -4.743 -6.121 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.379 -5.612 -5.621 1.00 0.00 H new ATOM 866 N GLU A 52 7.226 -4.616 -9.835 1.00 0.00 N ATOM 867 CA GLU A 52 6.562 -4.882 -11.105 1.00 0.00 C ATOM 868 C GLU A 52 5.639 -3.727 -11.492 1.00 0.00 C ATOM 869 O GLU A 52 4.721 -3.382 -10.747 1.00 0.00 O ATOM 870 CB GLU A 52 5.760 -6.184 -11.026 1.00 0.00 C ATOM 871 CG GLU A 52 6.608 -7.433 -11.209 1.00 0.00 C ATOM 872 CD GLU A 52 6.149 -8.285 -12.377 1.00 0.00 C ATOM 873 OE1 GLU A 52 6.148 -7.776 -13.518 1.00 0.00 O ATOM 874 OE2 GLU A 52 5.790 -9.459 -12.150 1.00 0.00 O ATOM 0 H GLU A 52 6.678 -4.059 -9.179 1.00 0.00 H new ATOM 0 HA GLU A 52 7.331 -4.983 -11.871 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.258 -6.234 -10.060 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.982 -6.168 -11.789 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.647 -7.143 -11.363 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.575 -8.027 -10.296 1.00 0.00 H new ATOM 881 N PRO A 53 5.867 -3.110 -12.667 1.00 0.00 N ATOM 882 CA PRO A 53 5.046 -1.991 -13.142 1.00 0.00 C ATOM 883 C PRO A 53 3.557 -2.313 -13.113 1.00 0.00 C ATOM 884 O PRO A 53 2.719 -1.416 -13.024 1.00 0.00 O ATOM 885 CB PRO A 53 5.521 -1.785 -14.582 1.00 0.00 C ATOM 886 CG PRO A 53 6.913 -2.310 -14.600 1.00 0.00 C ATOM 887 CD PRO A 53 6.938 -3.453 -13.623 1.00 0.00 C ATOM 0 HA PRO A 53 5.159 -1.108 -12.513 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.887 -2.320 -15.288 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.491 -0.732 -14.862 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.191 -2.645 -15.599 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.625 -1.536 -14.314 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.747 -4.407 -14.115 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.906 -3.538 -13.129 1.00 0.00 H new ATOM 895 N SER A 54 3.231 -3.599 -13.187 1.00 0.00 N ATOM 896 CA SER A 54 1.841 -4.037 -13.167 1.00 0.00 C ATOM 897 C SER A 54 1.209 -3.774 -11.803 1.00 0.00 C ATOM 898 O SER A 54 0.002 -3.559 -11.699 1.00 0.00 O ATOM 899 CB SER A 54 1.750 -5.527 -13.507 1.00 0.00 C ATOM 900 OG SER A 54 2.480 -6.309 -12.578 1.00 0.00 O ATOM 0 H SER A 54 3.911 -4.356 -13.261 1.00 0.00 H new ATOM 0 HA SER A 54 1.294 -3.466 -13.917 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.706 -5.839 -13.508 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.135 -5.698 -14.512 1.00 0.00 H new ATOM 0 HG SER A 54 2.404 -7.256 -12.817 1.00 0.00 H new ATOM 906 N ARG A 55 2.031 -3.795 -10.759 1.00 0.00 N ATOM 907 CA ARG A 55 1.550 -3.560 -9.400 1.00 0.00 C ATOM 908 C ARG A 55 1.650 -2.083 -9.023 1.00 0.00 C ATOM 909 O ARG A 55 1.022 -1.640 -8.062 1.00 0.00 O ATOM 910 CB ARG A 55 2.344 -4.395 -8.391 1.00 0.00 C ATOM 911 CG ARG A 55 2.845 -5.724 -8.934 1.00 0.00 C ATOM 912 CD ARG A 55 3.712 -6.444 -7.913 1.00 0.00 C ATOM 913 NE ARG A 55 3.371 -7.862 -7.811 1.00 0.00 N ATOM 914 CZ ARG A 55 2.958 -8.458 -6.693 1.00 0.00 C ATOM 915 NH1 ARG A 55 2.841 -7.772 -5.563 1.00 0.00 N ATOM 916 NH2 ARG A 55 2.663 -9.752 -6.706 1.00 0.00 N ATOM 0 H ARG A 55 3.033 -3.972 -10.827 1.00 0.00 H new ATOM 0 HA ARG A 55 0.502 -3.859 -9.372 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.198 -3.812 -8.047 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.716 -4.585 -7.521 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.996 -6.353 -9.202 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.417 -5.555 -9.846 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.761 -6.342 -8.191 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.593 -5.971 -6.938 1.00 0.00 H new ATOM 0 HE ARG A 55 3.455 -8.433 -8.652 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.068 -6.778 -5.544 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.524 -8.239 -4.713 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.753 -10.287 -7.570 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.347 -10.212 -5.852 1.00 0.00 H new ATOM 930 N LEU A 56 2.451 -1.328 -9.774 1.00 0.00 N ATOM 931 CA LEU A 56 2.640 0.098 -9.509 1.00 0.00 C ATOM 932 C LEU A 56 1.312 0.790 -9.187 1.00 0.00 C ATOM 933 O LEU A 56 1.201 1.495 -8.183 1.00 0.00 O ATOM 934 CB LEU A 56 3.307 0.780 -10.707 1.00 0.00 C ATOM 935 CG LEU A 56 4.827 0.916 -10.608 1.00 0.00 C ATOM 936 CD1 LEU A 56 5.400 1.449 -11.913 1.00 0.00 C ATOM 937 CD2 LEU A 56 5.207 1.824 -9.446 1.00 0.00 C ATOM 0 H LEU A 56 2.980 -1.680 -10.572 1.00 0.00 H new ATOM 0 HA LEU A 56 3.289 0.188 -8.638 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.065 0.216 -11.608 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.875 1.774 -10.827 1.00 0.00 H new ATOM 0 HG LEU A 56 5.251 -0.071 -10.425 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.483 1.540 -11.825 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.158 0.762 -12.724 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.970 2.428 -12.126 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.292 1.909 -9.391 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.773 2.812 -9.599 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.828 1.402 -8.515 1.00 0.00 H new ATOM 949 N PRO A 57 0.282 0.594 -10.032 1.00 0.00 N ATOM 950 CA PRO A 57 -1.034 1.200 -9.820 1.00 0.00 C ATOM 951 C PRO A 57 -1.565 0.954 -8.410 1.00 0.00 C ATOM 952 O PRO A 57 -2.381 1.721 -7.900 1.00 0.00 O ATOM 953 CB PRO A 57 -1.919 0.500 -10.853 1.00 0.00 C ATOM 954 CG PRO A 57 -0.982 0.085 -11.932 1.00 0.00 C ATOM 955 CD PRO A 57 0.321 -0.236 -11.252 1.00 0.00 C ATOM 0 HA PRO A 57 -1.005 2.284 -9.929 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.430 -0.360 -10.419 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.690 1.170 -11.234 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.366 -0.783 -12.469 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.853 0.882 -12.664 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.400 -1.297 -11.014 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.175 0.014 -11.881 1.00 0.00 H new ATOM 963 N LEU A 58 -1.095 -0.123 -7.788 1.00 0.00 N ATOM 964 CA LEU A 58 -1.519 -0.475 -6.437 1.00 0.00 C ATOM 965 C LEU A 58 -1.262 0.672 -5.465 1.00 0.00 C ATOM 966 O LEU A 58 -2.111 0.996 -4.635 1.00 0.00 O ATOM 967 CB LEU A 58 -0.784 -1.731 -5.966 1.00 0.00 C ATOM 968 CG LEU A 58 -1.434 -2.461 -4.790 1.00 0.00 C ATOM 969 CD1 LEU A 58 -1.013 -3.924 -4.773 1.00 0.00 C ATOM 970 CD2 LEU A 58 -1.070 -1.784 -3.478 1.00 0.00 C ATOM 0 H LEU A 58 -0.420 -0.768 -8.199 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.591 -0.671 -6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.706 -2.423 -6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.232 -1.454 -5.685 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.516 -2.417 -4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.485 -4.429 -3.930 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.323 -4.403 -5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.071 -3.990 -4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.541 -2.316 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.012 -1.798 -3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.420 -0.752 -3.492 1.00 0.00 H new ATOM 982 N PHE A 59 -0.086 1.284 -5.577 1.00 0.00 N ATOM 983 CA PHE A 59 0.290 2.398 -4.712 1.00 0.00 C ATOM 984 C PHE A 59 -0.805 3.463 -4.675 1.00 0.00 C ATOM 985 O PHE A 59 -0.973 4.162 -3.673 1.00 0.00 O ATOM 986 CB PHE A 59 1.602 3.020 -5.191 1.00 0.00 C ATOM 987 CG PHE A 59 2.808 2.165 -4.919 1.00 0.00 C ATOM 988 CD1 PHE A 59 3.148 1.817 -3.622 1.00 0.00 C ATOM 989 CD2 PHE A 59 3.599 1.709 -5.961 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.256 1.030 -3.369 1.00 0.00 C ATOM 991 CE2 PHE A 59 4.708 0.923 -5.716 1.00 0.00 C ATOM 992 CZ PHE A 59 5.037 0.583 -4.417 1.00 0.00 C ATOM 0 H PHE A 59 0.625 1.026 -6.261 1.00 0.00 H new ATOM 0 HA PHE A 59 0.423 2.008 -3.703 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.535 3.209 -6.262 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.735 3.986 -4.705 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.541 2.164 -2.799 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.345 1.971 -6.977 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.511 0.765 -2.353 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.317 0.575 -6.537 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.904 -0.031 -4.222 1.00 0.00 H new ATOM 1002 N ASP A 60 -1.544 3.580 -5.773 1.00 0.00 N ATOM 1003 CA ASP A 60 -2.620 4.559 -5.871 1.00 0.00 C ATOM 1004 C ASP A 60 -3.590 4.420 -4.703 1.00 0.00 C ATOM 1005 O ASP A 60 -3.895 5.394 -4.022 1.00 0.00 O ATOM 1006 CB ASP A 60 -3.370 4.396 -7.193 1.00 0.00 C ATOM 1007 CG ASP A 60 -3.855 5.721 -7.749 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -3.006 6.590 -8.040 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -5.084 5.889 -7.892 1.00 0.00 O ATOM 0 H ASP A 60 -1.417 3.008 -6.608 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.175 5.553 -5.835 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.716 3.917 -7.922 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.223 3.733 -7.045 1.00 0.00 H new ATOM 1014 N ALA A 61 -4.065 3.202 -4.483 1.00 0.00 N ATOM 1015 CA ALA A 61 -4.997 2.925 -3.394 1.00 0.00 C ATOM 1016 C ALA A 61 -4.305 2.991 -2.034 1.00 0.00 C ATOM 1017 O ALA A 61 -4.957 3.170 -1.007 1.00 0.00 O ATOM 1018 CB ALA A 61 -5.645 1.563 -3.593 1.00 0.00 C ATOM 0 H ALA A 61 -3.821 2.386 -5.045 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.770 3.694 -3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.338 1.367 -2.775 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.187 1.553 -4.538 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.874 0.792 -3.608 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.983 2.844 -2.032 1.00 0.00 N ATOM 1025 CA ILE A 62 -2.209 2.884 -0.795 1.00 0.00 C ATOM 1026 C ILE A 62 -2.131 4.301 -0.231 1.00 0.00 C ATOM 1027 O ILE A 62 -2.038 4.491 0.982 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.780 2.345 -1.005 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -0.827 0.942 -1.613 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -0.014 2.332 0.311 1.00 0.00 C ATOM 1031 CD1 ILE A 62 0.542 0.345 -1.869 1.00 0.00 C ATOM 0 H ILE A 62 -2.425 2.696 -2.873 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.729 2.244 -0.082 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.258 3.006 -1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.382 0.284 -0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.379 0.981 -2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.992 1.948 0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.046 3.346 0.707 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.531 1.693 1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.430 -0.650 -2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.093 0.981 -2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.089 0.274 -0.929 1.00 0.00 H new ATOM 1043 N ARG A 63 -2.159 5.293 -1.115 1.00 0.00 N ATOM 1044 CA ARG A 63 -2.083 6.690 -0.694 1.00 0.00 C ATOM 1045 C ARG A 63 -3.304 7.094 0.138 1.00 0.00 C ATOM 1046 O ARG A 63 -3.166 7.556 1.271 1.00 0.00 O ATOM 1047 CB ARG A 63 -1.955 7.603 -1.916 1.00 0.00 C ATOM 1048 CG ARG A 63 -0.639 8.360 -1.972 1.00 0.00 C ATOM 1049 CD ARG A 63 -0.375 8.929 -3.356 1.00 0.00 C ATOM 1050 NE ARG A 63 -1.506 9.708 -3.857 1.00 0.00 N ATOM 1051 CZ ARG A 63 -2.463 9.215 -4.643 1.00 0.00 C ATOM 1052 NH1 ARG A 63 -2.442 7.940 -5.016 1.00 0.00 N ATOM 1053 NH2 ARG A 63 -3.448 10.001 -5.055 1.00 0.00 N ATOM 0 H ARG A 63 -2.233 5.158 -2.123 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.199 6.801 -0.066 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.059 7.003 -2.820 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.777 8.319 -1.912 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.654 9.170 -1.243 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.176 7.693 -1.691 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.513 9.560 -3.324 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.162 8.114 -4.048 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.567 10.690 -3.588 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.689 7.329 -4.701 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.179 7.572 -5.618 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.472 10.980 -4.770 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.182 9.626 -5.657 1.00 0.00 H new ATOM 1067 N PRO A 64 -4.517 6.934 -0.421 1.00 0.00 N ATOM 1068 CA PRO A 64 -5.767 7.290 0.258 1.00 0.00 C ATOM 1069 C PRO A 64 -5.781 6.915 1.740 1.00 0.00 C ATOM 1070 O PRO A 64 -6.042 7.760 2.597 1.00 0.00 O ATOM 1071 CB PRO A 64 -6.802 6.472 -0.510 1.00 0.00 C ATOM 1072 CG PRO A 64 -6.268 6.415 -1.899 1.00 0.00 C ATOM 1073 CD PRO A 64 -4.766 6.402 -1.772 1.00 0.00 C ATOM 0 HA PRO A 64 -5.941 8.366 0.255 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.915 5.474 -0.086 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.784 6.944 -0.480 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.623 5.523 -2.416 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.602 7.275 -2.480 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.365 5.395 -1.884 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.296 7.020 -2.537 1.00 0.00 H new ATOM 1081 N LEU A 65 -5.490 5.654 2.039 1.00 0.00 N ATOM 1082 CA LEU A 65 -5.461 5.193 3.423 1.00 0.00 C ATOM 1083 C LEU A 65 -4.322 5.863 4.171 1.00 0.00 C ATOM 1084 O LEU A 65 -4.431 6.177 5.357 1.00 0.00 O ATOM 1085 CB LEU A 65 -5.319 3.669 3.495 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.345 3.055 2.486 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -3.236 2.303 3.205 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -5.084 2.131 1.529 1.00 0.00 C ATOM 0 H LEU A 65 -5.272 4.937 1.347 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.406 5.466 3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.995 3.398 4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.302 3.221 3.345 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.893 3.861 1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.553 1.873 2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.690 2.990 3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.669 1.505 3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.377 1.703 0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.562 1.330 2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.843 2.698 0.989 1.00 0.00 H new ATOM 1100 N ILE A 66 -3.229 6.084 3.454 1.00 0.00 N ATOM 1101 CA ILE A 66 -2.052 6.722 4.016 1.00 0.00 C ATOM 1102 C ILE A 66 -2.346 8.183 4.371 1.00 0.00 C ATOM 1103 O ILE A 66 -3.040 8.880 3.631 1.00 0.00 O ATOM 1104 CB ILE A 66 -0.872 6.635 3.018 1.00 0.00 C ATOM 1105 CG1 ILE A 66 -0.056 5.369 3.272 1.00 0.00 C ATOM 1106 CG2 ILE A 66 0.017 7.866 3.095 1.00 0.00 C ATOM 1107 CD1 ILE A 66 0.929 5.052 2.168 1.00 0.00 C ATOM 0 H ILE A 66 -3.135 5.827 2.471 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.777 6.198 4.931 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.288 6.592 2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.486 5.479 4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.737 4.526 3.393 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.835 7.770 2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.569 8.754 2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.424 7.958 4.102 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.473 4.141 2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.391 4.910 1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.633 5.877 2.061 1.00 0.00 H new ATOM 1119 N PRO A 67 -1.822 8.666 5.514 1.00 0.00 N ATOM 1120 CA PRO A 67 -2.036 10.047 5.964 1.00 0.00 C ATOM 1121 C PRO A 67 -1.841 11.069 4.847 1.00 0.00 C ATOM 1122 O PRO A 67 -1.130 10.815 3.876 1.00 0.00 O ATOM 1123 CB PRO A 67 -0.974 10.225 7.047 1.00 0.00 C ATOM 1124 CG PRO A 67 -0.790 8.859 7.611 1.00 0.00 C ATOM 1125 CD PRO A 67 -0.983 7.904 6.463 1.00 0.00 C ATOM 0 HA PRO A 67 -3.057 10.210 6.311 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.044 10.612 6.632 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.300 10.930 7.811 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.203 8.748 8.048 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.511 8.665 8.405 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.031 7.617 6.016 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.474 6.985 6.784 1.00 0.00 H new ATOM 1133 N LEU A 68 -2.485 12.225 4.994 1.00 0.00 N ATOM 1134 CA LEU A 68 -2.390 13.292 3.994 1.00 0.00 C ATOM 1135 C LEU A 68 -0.934 13.593 3.644 1.00 0.00 C ATOM 1136 O LEU A 68 -0.457 13.223 2.572 1.00 0.00 O ATOM 1137 CB LEU A 68 -3.082 14.585 4.471 1.00 0.00 C ATOM 1138 CG LEU A 68 -3.703 14.556 5.872 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -2.621 14.496 6.938 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -4.591 15.772 6.084 1.00 0.00 C ATOM 0 H LEU A 68 -3.078 12.449 5.793 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.904 12.933 3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.352 15.394 4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.866 14.835 3.756 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.317 13.659 5.956 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.083 14.476 7.925 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.023 13.595 6.799 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.980 15.373 6.855 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.024 15.736 7.084 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.997 16.680 5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.390 15.773 5.342 1.00 0.00 H new ATOM 1152 N LYS A 69 -0.235 14.269 4.553 1.00 0.00 N ATOM 1153 CA LYS A 69 1.166 14.625 4.336 1.00 0.00 C ATOM 1154 C LYS A 69 1.967 13.430 3.822 1.00 0.00 C ATOM 1155 O LYS A 69 2.856 13.580 2.983 1.00 0.00 O ATOM 1156 CB LYS A 69 1.786 15.147 5.634 1.00 0.00 C ATOM 1157 CG LYS A 69 1.629 14.197 6.810 1.00 0.00 C ATOM 1158 CD LYS A 69 1.186 14.930 8.066 1.00 0.00 C ATOM 1159 CE LYS A 69 1.084 13.987 9.254 1.00 0.00 C ATOM 1160 NZ LYS A 69 0.647 14.696 10.489 1.00 0.00 N ATOM 0 H LYS A 69 -0.615 14.581 5.446 1.00 0.00 H new ATOM 0 HA LYS A 69 1.199 15.409 3.580 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.847 15.336 5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.328 16.103 5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.899 13.427 6.561 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.576 13.691 6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.894 15.727 8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.219 15.403 7.891 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.378 13.189 9.024 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.052 13.517 9.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.590 14.019 11.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.334 15.441 10.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.288 15.124 10.331 1.00 0.00 H new ATOM 1174 N HIS A 70 1.640 12.246 4.327 1.00 0.00 N ATOM 1175 CA HIS A 70 2.326 11.028 3.917 1.00 0.00 C ATOM 1176 C HIS A 70 2.067 10.734 2.443 1.00 0.00 C ATOM 1177 O HIS A 70 2.963 10.294 1.722 1.00 0.00 O ATOM 1178 CB HIS A 70 1.874 9.846 4.775 1.00 0.00 C ATOM 1179 CG HIS A 70 2.391 9.899 6.180 1.00 0.00 C ATOM 1180 ND1 HIS A 70 2.325 8.829 7.049 1.00 0.00 N ATOM 1181 CD2 HIS A 70 2.988 10.902 6.868 1.00 0.00 C ATOM 1182 CE1 HIS A 70 2.858 9.173 8.208 1.00 0.00 C ATOM 1183 NE2 HIS A 70 3.268 10.425 8.123 1.00 0.00 N ATOM 0 H HIS A 70 0.905 12.104 5.020 1.00 0.00 H new ATOM 0 HA HIS A 70 3.397 11.176 4.059 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.785 9.818 4.797 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.207 8.919 4.308 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.927 7.916 6.831 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.203 11.893 6.497 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.944 8.538 9.077 1.00 0.00 H new ATOM 1192 N GLN A 71 0.840 10.987 1.998 1.00 0.00 N ATOM 1193 CA GLN A 71 0.470 10.754 0.606 1.00 0.00 C ATOM 1194 C GLN A 71 1.337 11.589 -0.327 1.00 0.00 C ATOM 1195 O GLN A 71 1.844 11.095 -1.335 1.00 0.00 O ATOM 1196 CB GLN A 71 -1.007 11.089 0.380 1.00 0.00 C ATOM 1197 CG GLN A 71 -1.962 10.026 0.897 1.00 0.00 C ATOM 1198 CD GLN A 71 -3.411 10.346 0.588 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -3.892 10.096 -0.518 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -4.116 10.901 1.567 1.00 0.00 N ATOM 0 H GLN A 71 0.086 11.353 2.580 1.00 0.00 H new ATOM 0 HA GLN A 71 0.631 9.699 0.385 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.234 12.037 0.868 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.179 11.231 -0.687 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.704 9.064 0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.838 9.924 1.975 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.677 11.091 2.468 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.097 11.138 1.418 1.00 0.00 H new ATOM 1209 N VAL A 72 1.505 12.859 0.021 1.00 0.00 N ATOM 1210 CA VAL A 72 2.314 13.771 -0.776 1.00 0.00 C ATOM 1211 C VAL A 72 3.745 13.264 -0.902 1.00 0.00 C ATOM 1212 O VAL A 72 4.274 13.133 -2.005 1.00 0.00 O ATOM 1213 CB VAL A 72 2.332 15.187 -0.168 1.00 0.00 C ATOM 1214 CG1 VAL A 72 3.051 16.157 -1.093 1.00 0.00 C ATOM 1215 CG2 VAL A 72 0.917 15.665 0.123 1.00 0.00 C ATOM 0 H VAL A 72 1.090 13.281 0.852 1.00 0.00 H new ATOM 0 HA VAL A 72 1.858 13.817 -1.765 1.00 0.00 H new ATOM 0 HB VAL A 72 2.877 15.149 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.053 17.151 -0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.078 15.824 -1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.538 16.192 -2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.952 16.667 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.343 15.687 -0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.441 14.985 0.829 1.00 0.00 H new ATOM 1225 N GLU A 73 4.368 12.977 0.238 1.00 0.00 N ATOM 1226 CA GLU A 73 5.738 12.481 0.248 1.00 0.00 C ATOM 1227 C GLU A 73 5.831 11.131 -0.446 1.00 0.00 C ATOM 1228 O GLU A 73 6.790 10.862 -1.171 1.00 0.00 O ATOM 1229 CB GLU A 73 6.257 12.371 1.684 1.00 0.00 C ATOM 1230 CG GLU A 73 7.726 12.734 1.830 1.00 0.00 C ATOM 1231 CD GLU A 73 7.951 13.901 2.770 1.00 0.00 C ATOM 1232 OE1 GLU A 73 7.183 14.033 3.747 1.00 0.00 O ATOM 1233 OE2 GLU A 73 8.892 14.685 2.531 1.00 0.00 O ATOM 0 H GLU A 73 3.947 13.079 1.161 1.00 0.00 H new ATOM 0 HA GLU A 73 6.358 13.192 -0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.665 13.023 2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.106 11.351 2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.275 11.867 2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.134 12.979 0.850 1.00 0.00 H new ATOM 1240 N TYR A 74 4.825 10.287 -0.239 1.00 0.00 N ATOM 1241 CA TYR A 74 4.800 8.973 -0.869 1.00 0.00 C ATOM 1242 C TYR A 74 4.968 9.121 -2.374 1.00 0.00 C ATOM 1243 O TYR A 74 5.682 8.349 -3.014 1.00 0.00 O ATOM 1244 CB TYR A 74 3.489 8.250 -0.553 1.00 0.00 C ATOM 1245 CG TYR A 74 3.581 6.746 -0.679 1.00 0.00 C ATOM 1246 CD1 TYR A 74 4.505 6.023 0.064 1.00 0.00 C ATOM 1247 CD2 TYR A 74 2.741 6.050 -1.540 1.00 0.00 C ATOM 1248 CE1 TYR A 74 4.591 4.648 -0.048 1.00 0.00 C ATOM 1249 CE2 TYR A 74 2.821 4.675 -1.657 1.00 0.00 C ATOM 1250 CZ TYR A 74 3.747 3.978 -0.909 1.00 0.00 C ATOM 1251 OH TYR A 74 3.829 2.611 -1.024 1.00 0.00 O ATOM 0 H TYR A 74 4.022 10.488 0.356 1.00 0.00 H new ATOM 0 HA TYR A 74 5.624 8.379 -0.473 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.180 8.503 0.461 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.712 8.615 -1.224 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.167 6.543 0.740 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.014 6.592 -2.127 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.316 4.101 0.536 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.161 4.149 -2.331 1.00 0.00 H new ATOM 0 HH TYR A 74 3.997 2.371 -1.959 1.00 0.00 H new ATOM 1261 N ASP A 75 4.312 10.136 -2.925 1.00 0.00 N ATOM 1262 CA ASP A 75 4.392 10.415 -4.351 1.00 0.00 C ATOM 1263 C ASP A 75 5.755 11.001 -4.706 1.00 0.00 C ATOM 1264 O ASP A 75 6.276 10.768 -5.797 1.00 0.00 O ATOM 1265 CB ASP A 75 3.283 11.383 -4.766 1.00 0.00 C ATOM 1266 CG ASP A 75 1.961 10.680 -5.006 1.00 0.00 C ATOM 1267 OD1 ASP A 75 1.983 9.507 -5.434 1.00 0.00 O ATOM 1268 OD2 ASP A 75 0.905 11.303 -4.767 1.00 0.00 O ATOM 0 H ASP A 75 3.718 10.780 -2.403 1.00 0.00 H new ATOM 0 HA ASP A 75 4.263 9.477 -4.892 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.154 12.138 -3.990 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.583 11.907 -5.674 1.00 0.00 H new ATOM 1273 N GLN A 76 6.332 11.763 -3.777 1.00 0.00 N ATOM 1274 CA GLN A 76 7.636 12.379 -3.998 1.00 0.00 C ATOM 1275 C GLN A 76 8.717 11.316 -4.172 1.00 0.00 C ATOM 1276 O GLN A 76 9.690 11.521 -4.896 1.00 0.00 O ATOM 1277 CB GLN A 76 7.990 13.305 -2.831 1.00 0.00 C ATOM 1278 CG GLN A 76 8.093 14.769 -3.229 1.00 0.00 C ATOM 1279 CD GLN A 76 9.167 15.508 -2.455 1.00 0.00 C ATOM 1280 OE1 GLN A 76 10.250 15.776 -2.976 1.00 0.00 O ATOM 1281 NE2 GLN A 76 8.873 15.843 -1.204 1.00 0.00 N ATOM 0 H GLN A 76 5.917 11.967 -2.868 1.00 0.00 H new ATOM 0 HA GLN A 76 7.584 12.968 -4.914 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.234 13.201 -2.052 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.939 12.986 -2.399 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.306 14.838 -4.296 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.132 15.255 -3.064 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.963 15.601 -0.812 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.557 16.342 -0.636 1.00 0.00 H new ATOM 1290 N LEU A 77 8.538 10.181 -3.503 1.00 0.00 N ATOM 1291 CA LEU A 77 9.500 9.088 -3.585 1.00 0.00 C ATOM 1292 C LEU A 77 9.162 8.150 -4.741 1.00 0.00 C ATOM 1293 O LEU A 77 10.051 7.589 -5.378 1.00 0.00 O ATOM 1294 CB LEU A 77 9.526 8.305 -2.270 1.00 0.00 C ATOM 1295 CG LEU A 77 10.038 9.089 -1.061 1.00 0.00 C ATOM 1296 CD1 LEU A 77 9.449 8.532 0.226 1.00 0.00 C ATOM 1297 CD2 LEU A 77 11.558 9.057 -1.010 1.00 0.00 C ATOM 0 H LEU A 77 7.737 9.995 -2.899 1.00 0.00 H new ATOM 0 HA LEU A 77 10.485 9.517 -3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.517 7.952 -2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.151 7.422 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 77 9.719 10.126 -1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.825 9.103 1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.362 8.607 0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.737 7.486 0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.905 9.620 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.898 8.024 -0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.962 9.504 -1.918 1.00 0.00 H new ATOM 1309 N THR A 78 7.870 7.987 -5.005 1.00 0.00 N ATOM 1310 CA THR A 78 7.414 7.119 -6.083 1.00 0.00 C ATOM 1311 C THR A 78 7.266 7.902 -7.388 1.00 0.00 C ATOM 1312 O THR A 78 6.446 8.815 -7.480 1.00 0.00 O ATOM 1313 CB THR A 78 6.080 6.472 -5.713 1.00 0.00 C ATOM 1314 OG1 THR A 78 5.151 7.449 -5.277 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.202 5.434 -4.617 1.00 0.00 C ATOM 0 H THR A 78 7.120 8.445 -4.487 1.00 0.00 H new ATOM 0 HA THR A 78 8.162 6.340 -6.229 1.00 0.00 H new ATOM 0 HB THR A 78 5.737 5.979 -6.623 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.084 7.424 -4.300 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.219 5.014 -4.403 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.873 4.639 -4.942 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.601 5.901 -3.717 1.00 0.00 H new ATOM 1323 N PRO A 79 8.060 7.558 -8.421 1.00 0.00 N ATOM 1324 CA PRO A 79 8.003 8.240 -9.718 1.00 0.00 C ATOM 1325 C PRO A 79 6.586 8.299 -10.278 1.00 0.00 C ATOM 1326 O PRO A 79 5.897 7.282 -10.359 1.00 0.00 O ATOM 1327 CB PRO A 79 8.896 7.378 -10.615 1.00 0.00 C ATOM 1328 CG PRO A 79 9.840 6.710 -9.677 1.00 0.00 C ATOM 1329 CD PRO A 79 9.070 6.481 -8.406 1.00 0.00 C ATOM 0 HA PRO A 79 8.326 9.279 -9.646 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.310 6.648 -11.174 1.00 0.00 H new ATOM 0 HB3 PRO A 79 9.428 7.986 -11.346 1.00 0.00 H new ATOM 0 HG2 PRO A 79 10.199 5.768 -10.091 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.716 7.333 -9.496 1.00 0.00 H new ATOM 0 HD2 PRO A 79 8.606 5.495 -8.389 1.00 0.00 H new ATOM 0 HD3 PRO A 79 9.714 6.546 -7.529 1.00 0.00 H new ATOM 1337 N ARG A 80 6.158 9.497 -10.664 1.00 0.00 N ATOM 1338 CA ARG A 80 4.822 9.688 -11.216 1.00 0.00 C ATOM 1339 C ARG A 80 4.895 10.229 -12.642 1.00 0.00 C ATOM 1340 O ARG A 80 4.143 9.801 -13.517 1.00 0.00 O ATOM 1341 CB ARG A 80 4.016 10.645 -10.336 1.00 0.00 C ATOM 1342 CG ARG A 80 2.523 10.626 -10.625 1.00 0.00 C ATOM 1343 CD ARG A 80 1.737 11.345 -9.541 1.00 0.00 C ATOM 1344 NE ARG A 80 0.420 10.749 -9.334 1.00 0.00 N ATOM 1345 CZ ARG A 80 -0.510 11.267 -8.535 1.00 0.00 C ATOM 1346 NH1 ARG A 80 -0.273 12.390 -7.867 1.00 0.00 N ATOM 1347 NH2 ARG A 80 -1.683 10.661 -8.403 1.00 0.00 N ATOM 0 H ARG A 80 6.716 10.349 -10.605 1.00 0.00 H new ATOM 0 HA ARG A 80 4.323 8.719 -11.239 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.178 10.387 -9.290 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.392 11.658 -10.476 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.332 11.098 -11.589 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.179 9.594 -10.702 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.298 11.317 -8.607 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.622 12.394 -9.812 1.00 0.00 H new ATOM 0 HE ARG A 80 0.200 9.886 -9.831 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.626 12.861 -7.964 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.990 12.781 -7.256 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.872 9.798 -8.914 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.396 11.058 -7.791 1.00 0.00 H new TER 1361 ARG A 80