USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=12 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 -126:sc= -2.72! USER MOD Set 1.2: A 70 HIS : no HD1:sc= -2.07 K(o=-4.8,f=-15!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= -0.157 (180deg=-0.739) USER MOD Single : A 4 LYS NZ :NH3+ 148:sc= -0.205 (180deg=-1.16) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.212) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) 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 :FLIP no HD1:sc= -0.0672 F(o=-0.6,f=-0.067) USER MOD Single : A 35 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.8!) USER MOD Single : A 36 THR OG1 : rot -53:sc= -0.218 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 147:sc= 0 (180deg=-1.25) USER MOD Single : A 51 ASN : amide:sc= -2.12 X(o=-2.1,f=-1.6) USER MOD Single : A 54 SER OG : rot 180:sc= 0.00222 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.5) USER MOD Single : A 74 TYR OH : rot -8:sc= -2.19! USER MOD Single : A 76 GLN : amide:sc= 0.0248 X(o=0.025,f=0) USER MOD Single : A 78 THR OG1 : rot -102:sc= 0.74 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.537 7.914 9.357 1.00 0.00 N ATOM 2 CA MET A 1 -18.302 8.061 7.896 1.00 0.00 C ATOM 3 C MET A 1 -17.211 7.109 7.414 1.00 0.00 C ATOM 4 O MET A 1 -16.095 7.116 7.935 1.00 0.00 O ATOM 5 CB MET A 1 -17.903 9.509 7.610 1.00 0.00 C ATOM 6 CG MET A 1 -16.668 9.962 8.369 1.00 0.00 C ATOM 7 SD MET A 1 -16.392 11.740 8.251 1.00 0.00 S ATOM 8 CE MET A 1 -14.601 11.803 8.222 1.00 0.00 C ATOM 0 H1 MET A 1 -18.964 8.786 9.729 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.180 7.114 9.526 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.632 7.739 9.838 1.00 0.00 H new ATOM 0 HA MET A 1 -19.217 7.810 7.359 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.724 9.623 6.541 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.736 10.164 7.865 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.768 9.683 9.418 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.795 9.436 7.981 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.275 12.841 8.151 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.207 11.360 9.137 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.231 11.246 7.361 1.00 0.00 H new ATOM 20 N ASP A 2 -17.540 6.294 6.419 1.00 0.00 N ATOM 21 CA ASP A 2 -16.587 5.337 5.867 1.00 0.00 C ATOM 22 C ASP A 2 -15.525 6.046 5.035 1.00 0.00 C ATOM 23 O ASP A 2 -15.516 7.273 4.935 1.00 0.00 O ATOM 24 CB ASP A 2 -17.314 4.300 5.011 1.00 0.00 C ATOM 25 CG ASP A 2 -18.192 4.936 3.951 1.00 0.00 C ATOM 26 OD1 ASP A 2 -17.894 6.078 3.541 1.00 0.00 O ATOM 27 OD2 ASP A 2 -19.177 4.292 3.531 1.00 0.00 O ATOM 0 H ASP A 2 -18.459 6.276 5.977 1.00 0.00 H new ATOM 0 HA ASP A 2 -16.094 4.832 6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.581 3.652 4.530 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -17.926 3.667 5.654 1.00 0.00 H new ATOM 32 N ARG A 3 -14.628 5.265 4.440 1.00 0.00 N ATOM 33 CA ARG A 3 -13.559 5.818 3.615 1.00 0.00 C ATOM 34 C ARG A 3 -13.842 5.600 2.132 1.00 0.00 C ATOM 35 O ARG A 3 -13.336 6.330 1.281 1.00 0.00 O ATOM 36 CB ARG A 3 -12.218 5.186 3.995 1.00 0.00 C ATOM 37 CG ARG A 3 -11.133 6.203 4.306 1.00 0.00 C ATOM 38 CD ARG A 3 -10.917 6.351 5.806 1.00 0.00 C ATOM 39 NE ARG A 3 -11.373 7.649 6.299 1.00 0.00 N ATOM 40 CZ ARG A 3 -11.009 8.165 7.471 1.00 0.00 C ATOM 41 NH1 ARG A 3 -10.187 7.498 8.273 1.00 0.00 N ATOM 42 NH2 ARG A 3 -11.469 9.351 7.844 1.00 0.00 N ATOM 0 H ARG A 3 -14.620 4.248 4.514 1.00 0.00 H new ATOM 0 HA ARG A 3 -13.511 6.892 3.797 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.362 4.543 4.864 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -11.882 4.547 3.178 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.200 5.897 3.832 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -11.406 7.169 3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -11.450 5.557 6.329 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -9.858 6.228 6.034 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.007 8.191 5.711 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.830 6.584 7.992 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.912 7.899 9.170 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.102 9.868 7.233 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -11.190 9.747 8.742 1.00 0.00 H new ATOM 56 N LYS A 4 -14.655 4.590 1.827 1.00 0.00 N ATOM 57 CA LYS A 4 -15.011 4.270 0.445 1.00 0.00 C ATOM 58 C LYS A 4 -13.865 3.555 -0.267 1.00 0.00 C ATOM 59 O LYS A 4 -14.031 2.439 -0.759 1.00 0.00 O ATOM 60 CB LYS A 4 -15.394 5.537 -0.324 1.00 0.00 C ATOM 61 CG LYS A 4 -16.249 5.269 -1.552 1.00 0.00 C ATOM 62 CD LYS A 4 -15.434 5.360 -2.832 1.00 0.00 C ATOM 63 CE LYS A 4 -15.169 6.805 -3.222 1.00 0.00 C ATOM 64 NZ LYS A 4 -13.804 7.247 -2.819 1.00 0.00 N ATOM 0 H LYS A 4 -15.081 3.977 2.521 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.871 3.601 0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.933 6.208 0.344 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.485 6.055 -0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.697 4.278 -1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.068 5.987 -1.590 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.486 4.838 -2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.965 4.856 -3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -15.284 6.917 -4.300 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.913 7.450 -2.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.449 7.945 -3.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.844 7.679 -1.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.165 6.426 -2.798 1.00 0.00 H new ATOM 78 N VAL A 5 -12.706 4.202 -0.322 1.00 0.00 N ATOM 79 CA VAL A 5 -11.536 3.622 -0.977 1.00 0.00 C ATOM 80 C VAL A 5 -11.187 2.262 -0.379 1.00 0.00 C ATOM 81 O VAL A 5 -10.587 1.418 -1.044 1.00 0.00 O ATOM 82 CB VAL A 5 -10.309 4.547 -0.869 1.00 0.00 C ATOM 83 CG1 VAL A 5 -9.193 4.062 -1.783 1.00 0.00 C ATOM 84 CG2 VAL A 5 -10.691 5.984 -1.198 1.00 0.00 C ATOM 0 H VAL A 5 -12.550 5.127 0.078 1.00 0.00 H new ATOM 0 HA VAL A 5 -11.795 3.499 -2.029 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.945 4.519 0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.334 4.727 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.901 3.052 -1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.544 4.059 -2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.811 6.622 -1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.082 6.033 -2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.454 6.327 -0.499 1.00 0.00 H new ATOM 94 N ALA A 6 -11.566 2.055 0.880 1.00 0.00 N ATOM 95 CA ALA A 6 -11.291 0.798 1.567 1.00 0.00 C ATOM 96 C ALA A 6 -11.800 -0.395 0.765 1.00 0.00 C ATOM 97 O ALA A 6 -11.086 -1.380 0.575 1.00 0.00 O ATOM 98 CB ALA A 6 -11.918 0.808 2.954 1.00 0.00 C ATOM 0 H ALA A 6 -12.065 2.743 1.444 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.210 0.698 1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.705 -0.136 3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.502 1.630 3.536 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.997 0.937 2.865 1.00 0.00 H new ATOM 104 N ARG A 7 -13.037 -0.298 0.296 1.00 0.00 N ATOM 105 CA ARG A 7 -13.644 -1.365 -0.490 1.00 0.00 C ATOM 106 C ARG A 7 -12.861 -1.598 -1.776 1.00 0.00 C ATOM 107 O ARG A 7 -12.427 -2.715 -2.063 1.00 0.00 O ATOM 108 CB ARG A 7 -15.098 -1.027 -0.817 1.00 0.00 C ATOM 109 CG ARG A 7 -15.969 -2.249 -1.054 1.00 0.00 C ATOM 110 CD ARG A 7 -17.424 -1.972 -0.713 1.00 0.00 C ATOM 111 NE ARG A 7 -18.339 -2.634 -1.638 1.00 0.00 N ATOM 112 CZ ARG A 7 -18.661 -3.923 -1.569 1.00 0.00 C ATOM 113 NH1 ARG A 7 -18.143 -4.692 -0.619 1.00 0.00 N ATOM 114 NH2 ARG A 7 -19.501 -4.446 -2.452 1.00 0.00 N ATOM 0 H ARG A 7 -13.641 0.510 0.446 1.00 0.00 H new ATOM 0 HA ARG A 7 -13.620 -2.279 0.103 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -15.520 -0.444 0.002 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -15.124 -0.395 -1.705 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -15.891 -2.556 -2.097 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -15.604 -3.079 -0.449 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -17.629 -2.310 0.303 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -17.603 -0.897 -0.734 1.00 0.00 H new ATOM 0 HE ARG A 7 -18.757 -2.075 -2.382 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -17.495 -4.295 0.062 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -18.393 -5.680 -0.570 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -19.901 -3.860 -3.185 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -19.747 -5.434 -2.398 1.00 0.00 H new ATOM 128 N GLU A 8 -12.682 -0.533 -2.543 1.00 0.00 N ATOM 129 CA GLU A 8 -11.948 -0.608 -3.800 1.00 0.00 C ATOM 130 C GLU A 8 -10.530 -1.115 -3.561 1.00 0.00 C ATOM 131 O GLU A 8 -9.957 -1.805 -4.401 1.00 0.00 O ATOM 132 CB GLU A 8 -11.908 0.763 -4.479 1.00 0.00 C ATOM 133 CG GLU A 8 -12.934 0.921 -5.588 1.00 0.00 C ATOM 134 CD GLU A 8 -13.095 2.360 -6.034 1.00 0.00 C ATOM 135 OE1 GLU A 8 -12.235 2.843 -6.801 1.00 0.00 O ATOM 136 OE2 GLU A 8 -14.080 3.006 -5.617 1.00 0.00 O ATOM 0 H GLU A 8 -13.036 0.397 -2.317 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.464 -1.309 -4.456 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.074 1.536 -3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.912 0.927 -4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.637 0.311 -6.441 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.896 0.542 -5.244 1.00 0.00 H new ATOM 143 N PHE A 9 -9.973 -0.770 -2.404 1.00 0.00 N ATOM 144 CA PHE A 9 -8.625 -1.193 -2.047 1.00 0.00 C ATOM 145 C PHE A 9 -8.536 -2.714 -1.985 1.00 0.00 C ATOM 146 O PHE A 9 -7.627 -3.318 -2.553 1.00 0.00 O ATOM 147 CB PHE A 9 -8.219 -0.588 -0.701 1.00 0.00 C ATOM 148 CG PHE A 9 -6.828 -0.957 -0.270 1.00 0.00 C ATOM 149 CD1 PHE A 9 -6.549 -2.230 0.201 1.00 0.00 C ATOM 150 CD2 PHE A 9 -5.799 -0.031 -0.336 1.00 0.00 C ATOM 151 CE1 PHE A 9 -5.270 -2.573 0.599 1.00 0.00 C ATOM 152 CE2 PHE A 9 -4.519 -0.367 0.059 1.00 0.00 C ATOM 153 CZ PHE A 9 -4.254 -1.641 0.528 1.00 0.00 C ATOM 0 H PHE A 9 -10.436 -0.198 -1.698 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.940 -0.838 -2.816 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.295 0.498 -0.762 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.925 -0.914 0.062 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.340 -2.963 0.258 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -6.001 0.965 -0.701 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.066 -3.568 0.965 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.726 0.364 0.002 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.254 -1.906 0.838 1.00 0.00 H new ATOM 163 N ARG A 10 -9.491 -3.327 -1.290 1.00 0.00 N ATOM 164 CA ARG A 10 -9.525 -4.777 -1.155 1.00 0.00 C ATOM 165 C ARG A 10 -9.641 -5.446 -2.520 1.00 0.00 C ATOM 166 O ARG A 10 -8.946 -6.420 -2.808 1.00 0.00 O ATOM 167 CB ARG A 10 -10.696 -5.199 -0.266 1.00 0.00 C ATOM 168 CG ARG A 10 -10.445 -6.487 0.504 1.00 0.00 C ATOM 169 CD ARG A 10 -11.426 -7.579 0.108 1.00 0.00 C ATOM 170 NE ARG A 10 -11.929 -8.310 1.268 1.00 0.00 N ATOM 171 CZ ARG A 10 -11.246 -9.259 1.901 1.00 0.00 C ATOM 172 NH1 ARG A 10 -10.029 -9.596 1.490 1.00 0.00 N ATOM 173 NH2 ARG A 10 -11.778 -9.875 2.947 1.00 0.00 N ATOM 0 H ARG A 10 -10.250 -2.841 -0.813 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.592 -5.097 -0.691 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.910 -4.398 0.442 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.585 -5.323 -0.885 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.426 -6.829 0.320 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.528 -6.294 1.574 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.263 -7.136 -0.432 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.938 -8.274 -0.575 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.860 -8.079 1.613 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.614 -9.126 0.685 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.509 -10.325 1.979 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.713 -9.621 3.267 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.253 -10.603 3.432 1.00 0.00 H new ATOM 187 N HIS A 11 -10.523 -4.914 -3.360 1.00 0.00 N ATOM 188 CA HIS A 11 -10.729 -5.459 -4.698 1.00 0.00 C ATOM 189 C HIS A 11 -9.481 -5.281 -5.559 1.00 0.00 C ATOM 190 O HIS A 11 -9.039 -6.215 -6.229 1.00 0.00 O ATOM 191 CB HIS A 11 -11.927 -4.782 -5.367 1.00 0.00 C ATOM 192 CG HIS A 11 -13.216 -5.518 -5.175 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.678 -6.473 -6.057 1.00 0.00 N ATOM 194 CD2 HIS A 11 -14.146 -5.436 -4.193 1.00 0.00 C ATOM 195 CE1 HIS A 11 -14.834 -6.946 -5.627 1.00 0.00 C ATOM 196 NE2 HIS A 11 -15.139 -6.334 -4.497 1.00 0.00 N ATOM 0 H HIS A 11 -11.106 -4.107 -3.139 1.00 0.00 H new ATOM 0 HA HIS A 11 -10.930 -6.526 -4.601 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -12.032 -3.773 -4.969 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -11.729 -4.685 -6.435 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -14.112 -4.785 -3.332 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -15.428 -7.704 -6.116 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.977 -6.501 -3.940 1.00 0.00 H new ATOM 205 N LYS A 12 -8.918 -4.077 -5.533 1.00 0.00 N ATOM 206 CA LYS A 12 -7.722 -3.771 -6.310 1.00 0.00 C ATOM 207 C LYS A 12 -6.574 -4.712 -5.953 1.00 0.00 C ATOM 208 O LYS A 12 -6.048 -5.417 -6.812 1.00 0.00 O ATOM 209 CB LYS A 12 -7.298 -2.321 -6.066 1.00 0.00 C ATOM 210 CG LYS A 12 -6.998 -1.554 -7.340 1.00 0.00 C ATOM 211 CD LYS A 12 -5.779 -0.662 -7.178 1.00 0.00 C ATOM 212 CE LYS A 12 -5.739 0.426 -8.239 1.00 0.00 C ATOM 213 NZ LYS A 12 -5.947 -0.124 -9.607 1.00 0.00 N ATOM 0 H LYS A 12 -9.272 -3.296 -4.981 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.960 -3.909 -7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.089 -1.807 -5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.413 -2.312 -5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.831 -2.255 -8.158 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.861 -0.947 -7.612 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.790 -0.206 -6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.874 -1.266 -7.241 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.507 1.169 -8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.778 0.939 -8.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.681 0.592 -10.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.357 -0.971 -9.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.948 -0.377 -9.731 1.00 0.00 H new ATOM 227 N VAL A 13 -6.190 -4.710 -4.682 1.00 0.00 N ATOM 228 CA VAL A 13 -5.099 -5.557 -4.205 1.00 0.00 C ATOM 229 C VAL A 13 -5.313 -7.018 -4.594 1.00 0.00 C ATOM 230 O VAL A 13 -4.387 -7.687 -5.053 1.00 0.00 O ATOM 231 CB VAL A 13 -4.950 -5.467 -2.675 1.00 0.00 C ATOM 232 CG1 VAL A 13 -3.695 -6.195 -2.216 1.00 0.00 C ATOM 233 CG2 VAL A 13 -4.930 -4.013 -2.222 1.00 0.00 C ATOM 0 H VAL A 13 -6.618 -4.130 -3.960 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.189 -5.190 -4.680 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.811 -5.953 -2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.607 -6.120 -1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.757 -7.245 -2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.820 -5.742 -2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.824 -3.971 -1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.090 -3.498 -2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.861 -3.528 -2.515 1.00 0.00 H new ATOM 243 N ASP A 14 -6.531 -7.506 -4.404 1.00 0.00 N ATOM 244 CA ASP A 14 -6.861 -8.888 -4.731 1.00 0.00 C ATOM 245 C ASP A 14 -6.663 -9.164 -6.220 1.00 0.00 C ATOM 246 O ASP A 14 -6.128 -10.204 -6.602 1.00 0.00 O ATOM 247 CB ASP A 14 -8.303 -9.200 -4.332 1.00 0.00 C ATOM 248 CG ASP A 14 -8.466 -9.366 -2.834 1.00 0.00 C ATOM 249 OD1 ASP A 14 -7.617 -8.841 -2.082 1.00 0.00 O ATOM 250 OD2 ASP A 14 -9.441 -10.022 -2.411 1.00 0.00 O ATOM 0 H ASP A 14 -7.308 -6.965 -4.025 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.187 -9.534 -4.169 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.955 -8.398 -4.679 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.626 -10.112 -4.833 1.00 0.00 H new ATOM 255 N PHE A 15 -7.105 -8.229 -7.053 1.00 0.00 N ATOM 256 CA PHE A 15 -6.983 -8.373 -8.501 1.00 0.00 C ATOM 257 C PHE A 15 -5.525 -8.287 -8.947 1.00 0.00 C ATOM 258 O PHE A 15 -5.039 -9.146 -9.683 1.00 0.00 O ATOM 259 CB PHE A 15 -7.810 -7.299 -9.211 1.00 0.00 C ATOM 260 CG PHE A 15 -8.612 -7.827 -10.366 1.00 0.00 C ATOM 261 CD1 PHE A 15 -9.415 -8.945 -10.217 1.00 0.00 C ATOM 262 CD2 PHE A 15 -8.563 -7.201 -11.601 1.00 0.00 C ATOM 263 CE1 PHE A 15 -10.154 -9.432 -11.278 1.00 0.00 C ATOM 264 CE2 PHE A 15 -9.301 -7.682 -12.666 1.00 0.00 C ATOM 265 CZ PHE A 15 -10.098 -8.800 -12.505 1.00 0.00 C ATOM 0 H PHE A 15 -7.551 -7.363 -6.752 1.00 0.00 H new ATOM 0 HA PHE A 15 -7.363 -9.358 -8.772 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.485 -6.837 -8.491 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.142 -6.516 -9.570 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.464 -9.443 -9.260 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.941 -6.328 -11.733 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.775 -10.306 -11.148 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -9.255 -7.185 -13.624 1.00 0.00 H new ATOM 0 HZ PHE A 15 -10.675 -9.178 -13.336 1.00 0.00 H new ATOM 275 N LEU A 16 -4.835 -7.241 -8.504 1.00 0.00 N ATOM 276 CA LEU A 16 -3.435 -7.038 -8.863 1.00 0.00 C ATOM 277 C LEU A 16 -2.551 -8.131 -8.282 1.00 0.00 C ATOM 278 O LEU A 16 -1.791 -8.779 -9.001 1.00 0.00 O ATOM 279 CB LEU A 16 -2.958 -5.668 -8.378 1.00 0.00 C ATOM 280 CG LEU A 16 -3.909 -4.506 -8.678 1.00 0.00 C ATOM 281 CD1 LEU A 16 -4.059 -3.607 -7.461 1.00 0.00 C ATOM 282 CD2 LEU A 16 -3.412 -3.706 -9.875 1.00 0.00 C ATOM 0 H LEU A 16 -5.222 -6.520 -7.895 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.359 -7.082 -9.949 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.797 -5.717 -7.301 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.992 -5.454 -8.835 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.888 -4.919 -8.921 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.739 -2.788 -7.695 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.461 -4.185 -6.629 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.085 -3.203 -7.185 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.100 -2.884 -10.074 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.421 -3.306 -9.659 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.359 -4.355 -10.749 1.00 0.00 H new ATOM 294 N ILE A 17 -2.651 -8.329 -6.975 1.00 0.00 N ATOM 295 CA ILE A 17 -1.858 -9.341 -6.291 1.00 0.00 C ATOM 296 C ILE A 17 -2.343 -10.744 -6.631 1.00 0.00 C ATOM 297 O ILE A 17 -1.669 -11.490 -7.340 1.00 0.00 O ATOM 298 CB ILE A 17 -1.897 -9.147 -4.761 1.00 0.00 C ATOM 299 CG1 ILE A 17 -1.565 -7.697 -4.402 1.00 0.00 C ATOM 300 CG2 ILE A 17 -0.928 -10.103 -4.079 1.00 0.00 C ATOM 301 CD1 ILE A 17 -0.156 -7.288 -4.771 1.00 0.00 C ATOM 0 H ILE A 17 -3.275 -7.801 -6.366 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.831 -9.225 -6.637 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.904 -9.369 -4.407 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.270 -7.036 -4.907 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.706 -7.555 -3.331 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.968 -9.953 -3.000 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.206 -11.131 -4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.084 -9.910 -4.435 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.007 -6.248 -4.487 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.557 -7.924 -4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.015 -7.397 -5.846 1.00 0.00 H new ATOM 313 N GLU A 18 -3.518 -11.095 -6.123 1.00 0.00 N ATOM 314 CA GLU A 18 -4.107 -12.411 -6.369 1.00 0.00 C ATOM 315 C GLU A 18 -3.392 -13.507 -5.573 1.00 0.00 C ATOM 316 O GLU A 18 -3.740 -14.683 -5.682 1.00 0.00 O ATOM 317 CB GLU A 18 -4.066 -12.745 -7.863 1.00 0.00 C ATOM 318 CG GLU A 18 -5.306 -13.472 -8.357 1.00 0.00 C ATOM 319 CD GLU A 18 -5.097 -14.970 -8.467 1.00 0.00 C ATOM 320 OE1 GLU A 18 -4.453 -15.411 -9.443 1.00 0.00 O ATOM 321 OE2 GLU A 18 -5.577 -15.703 -7.576 1.00 0.00 O ATOM 0 H GLU A 18 -4.086 -10.485 -5.535 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.144 -12.372 -6.036 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.946 -11.822 -8.430 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.189 -13.360 -8.066 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.135 -13.273 -7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.591 -13.076 -9.332 1.00 0.00 H new ATOM 328 N ASN A 19 -2.395 -13.123 -4.779 1.00 0.00 N ATOM 329 CA ASN A 19 -1.644 -14.082 -3.979 1.00 0.00 C ATOM 330 C ASN A 19 -1.974 -13.931 -2.498 1.00 0.00 C ATOM 331 O ASN A 19 -2.284 -12.837 -2.028 1.00 0.00 O ATOM 332 CB ASN A 19 -0.142 -13.898 -4.202 1.00 0.00 C ATOM 333 CG ASN A 19 0.361 -14.663 -5.409 1.00 0.00 C ATOM 334 OD1 ASN A 19 0.679 -15.849 -5.320 1.00 0.00 O ATOM 335 ND2 ASN A 19 0.436 -13.986 -6.550 1.00 0.00 N ATOM 0 H ASN A 19 -2.090 -12.155 -4.674 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.930 -15.085 -4.295 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.076 -12.838 -4.330 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.397 -14.229 -3.315 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.767 -14.448 -7.397 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.162 -13.004 -6.579 1.00 0.00 H new ATOM 342 N ASP A 20 -1.903 -15.038 -1.764 1.00 0.00 N ATOM 343 CA ASP A 20 -2.192 -15.027 -0.336 1.00 0.00 C ATOM 344 C ASP A 20 -0.994 -14.520 0.458 1.00 0.00 C ATOM 345 O ASP A 20 -1.134 -13.679 1.348 1.00 0.00 O ATOM 346 CB ASP A 20 -2.578 -16.428 0.141 1.00 0.00 C ATOM 347 CG ASP A 20 -3.545 -16.397 1.308 1.00 0.00 C ATOM 348 OD1 ASP A 20 -3.078 -16.305 2.463 1.00 0.00 O ATOM 349 OD2 ASP A 20 -4.768 -16.464 1.067 1.00 0.00 O ATOM 0 H ASP A 20 -1.648 -15.953 -2.136 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.030 -14.351 -0.167 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.028 -16.979 -0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.678 -16.970 0.433 1.00 0.00 H new ATOM 354 N ALA A 21 0.182 -15.036 0.130 1.00 0.00 N ATOM 355 CA ALA A 21 1.409 -14.639 0.808 1.00 0.00 C ATOM 356 C ALA A 21 1.756 -13.186 0.508 1.00 0.00 C ATOM 357 O ALA A 21 2.134 -12.428 1.403 1.00 0.00 O ATOM 358 CB ALA A 21 2.555 -15.553 0.402 1.00 0.00 C ATOM 0 H ALA A 21 0.313 -15.733 -0.604 1.00 0.00 H new ATOM 0 HA ALA A 21 1.248 -14.732 1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.466 -15.245 0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.315 -16.581 0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.707 -15.489 -0.675 1.00 0.00 H new ATOM 364 N GLU A 22 1.624 -12.806 -0.756 1.00 0.00 N ATOM 365 CA GLU A 22 1.922 -11.441 -1.179 1.00 0.00 C ATOM 366 C GLU A 22 1.043 -10.442 -0.439 1.00 0.00 C ATOM 367 O GLU A 22 1.516 -9.402 0.023 1.00 0.00 O ATOM 368 CB GLU A 22 1.724 -11.298 -2.688 1.00 0.00 C ATOM 369 CG GLU A 22 2.680 -12.146 -3.510 1.00 0.00 C ATOM 370 CD GLU A 22 2.617 -11.826 -4.991 1.00 0.00 C ATOM 371 OE1 GLU A 22 1.563 -11.337 -5.449 1.00 0.00 O ATOM 372 OE2 GLU A 22 3.623 -12.063 -5.694 1.00 0.00 O ATOM 0 H GLU A 22 1.313 -13.422 -1.507 1.00 0.00 H new ATOM 0 HA GLU A 22 2.964 -11.229 -0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.700 -11.573 -2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.850 -10.251 -2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.698 -11.991 -3.151 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.446 -13.200 -3.359 1.00 0.00 H new ATOM 379 N LYS A 23 -0.240 -10.766 -0.329 1.00 0.00 N ATOM 380 CA LYS A 23 -1.193 -9.902 0.358 1.00 0.00 C ATOM 381 C LYS A 23 -0.760 -9.662 1.801 1.00 0.00 C ATOM 382 O LYS A 23 -0.845 -8.542 2.306 1.00 0.00 O ATOM 383 CB LYS A 23 -2.593 -10.523 0.323 1.00 0.00 C ATOM 384 CG LYS A 23 -3.642 -9.620 -0.303 1.00 0.00 C ATOM 385 CD LYS A 23 -5.030 -10.236 -0.215 1.00 0.00 C ATOM 386 CE LYS A 23 -5.122 -11.525 -1.018 1.00 0.00 C ATOM 387 NZ LYS A 23 -5.606 -12.662 -0.189 1.00 0.00 N ATOM 0 H LYS A 23 -0.645 -11.622 -0.707 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.220 -8.942 -0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.552 -11.459 -0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.898 -10.770 1.340 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.639 -8.653 0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.390 -9.436 -1.347 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.274 -10.438 0.828 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.769 -9.524 -0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.795 -11.379 -1.863 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.142 -11.767 -1.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.655 -13.521 -0.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.950 -12.818 0.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.552 -12.442 0.183 1.00 0.00 H new ATOM 401 N ASP A 24 -0.292 -10.719 2.455 1.00 0.00 N ATOM 402 CA ASP A 24 0.160 -10.620 3.837 1.00 0.00 C ATOM 403 C ASP A 24 1.385 -9.721 3.936 1.00 0.00 C ATOM 404 O ASP A 24 1.564 -9.002 4.919 1.00 0.00 O ATOM 405 CB ASP A 24 0.485 -12.009 4.391 1.00 0.00 C ATOM 406 CG ASP A 24 0.106 -12.152 5.852 1.00 0.00 C ATOM 407 OD1 ASP A 24 -0.988 -11.683 6.230 1.00 0.00 O ATOM 408 OD2 ASP A 24 0.903 -12.735 6.617 1.00 0.00 O ATOM 0 H ASP A 24 -0.216 -11.653 2.051 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.643 -10.182 4.429 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.042 -12.763 3.806 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.551 -12.203 4.274 1.00 0.00 H new ATOM 413 N TYR A 25 2.227 -9.764 2.907 1.00 0.00 N ATOM 414 CA TYR A 25 3.437 -8.950 2.874 1.00 0.00 C ATOM 415 C TYR A 25 3.088 -7.465 2.885 1.00 0.00 C ATOM 416 O TYR A 25 3.676 -6.685 3.634 1.00 0.00 O ATOM 417 CB TYR A 25 4.267 -9.284 1.633 1.00 0.00 C ATOM 418 CG TYR A 25 5.738 -9.478 1.924 1.00 0.00 C ATOM 419 CD1 TYR A 25 6.161 -10.371 2.900 1.00 0.00 C ATOM 420 CD2 TYR A 25 6.705 -8.767 1.222 1.00 0.00 C ATOM 421 CE1 TYR A 25 7.505 -10.550 3.170 1.00 0.00 C ATOM 422 CE2 TYR A 25 8.049 -8.941 1.484 1.00 0.00 C ATOM 423 CZ TYR A 25 8.445 -9.834 2.459 1.00 0.00 C ATOM 424 OH TYR A 25 9.783 -10.011 2.723 1.00 0.00 O ATOM 0 H TYR A 25 2.093 -10.354 2.086 1.00 0.00 H new ATOM 0 HA TYR A 25 4.025 -9.175 3.764 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.873 -10.191 1.176 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.152 -8.483 0.903 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.428 -10.935 3.457 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.399 -8.067 0.459 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.817 -11.247 3.934 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.787 -8.381 0.929 1.00 0.00 H new ATOM 0 HH TYR A 25 10.312 -9.433 2.134 1.00 0.00 H new ATOM 434 N LEU A 26 2.125 -7.081 2.054 1.00 0.00 N ATOM 435 CA LEU A 26 1.698 -5.687 1.976 1.00 0.00 C ATOM 436 C LEU A 26 1.037 -5.256 3.278 1.00 0.00 C ATOM 437 O LEU A 26 1.338 -4.193 3.820 1.00 0.00 O ATOM 438 CB LEU A 26 0.727 -5.476 0.808 1.00 0.00 C ATOM 439 CG LEU A 26 0.928 -6.400 -0.395 1.00 0.00 C ATOM 440 CD1 LEU A 26 0.078 -5.940 -1.570 1.00 0.00 C ATOM 441 CD2 LEU A 26 2.397 -6.457 -0.789 1.00 0.00 C ATOM 0 H LEU A 26 1.626 -7.712 1.427 1.00 0.00 H new ATOM 0 HA LEU A 26 2.585 -5.076 1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.290 -5.606 1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.814 -4.444 0.469 1.00 0.00 H new ATOM 0 HG LEU A 26 0.610 -7.404 -0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.234 -6.609 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.974 -5.954 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.364 -4.927 -1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.518 -7.119 -1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.742 -5.457 -1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.984 -6.836 0.048 1.00 0.00 H new ATOM 453 N TYR A 27 0.137 -6.095 3.773 1.00 0.00 N ATOM 454 CA TYR A 27 -0.571 -5.812 5.016 1.00 0.00 C ATOM 455 C TYR A 27 0.412 -5.647 6.171 1.00 0.00 C ATOM 456 O TYR A 27 0.175 -4.866 7.093 1.00 0.00 O ATOM 457 CB TYR A 27 -1.564 -6.933 5.330 1.00 0.00 C ATOM 458 CG TYR A 27 -2.865 -6.820 4.570 1.00 0.00 C ATOM 459 CD1 TYR A 27 -2.874 -6.649 3.191 1.00 0.00 C ATOM 460 CD2 TYR A 27 -4.086 -6.885 5.231 1.00 0.00 C ATOM 461 CE1 TYR A 27 -4.061 -6.548 2.492 1.00 0.00 C ATOM 462 CE2 TYR A 27 -5.278 -6.783 4.539 1.00 0.00 C ATOM 463 CZ TYR A 27 -5.260 -6.615 3.170 1.00 0.00 C ATOM 464 OH TYR A 27 -6.445 -6.512 2.478 1.00 0.00 O ATOM 0 H TYR A 27 -0.121 -6.978 3.333 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.119 -4.878 4.891 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.101 -7.892 5.100 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.776 -6.930 6.399 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.937 -6.594 2.657 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.104 -7.017 6.303 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.050 -6.417 1.420 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.219 -6.835 5.067 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.196 -6.580 3.104 1.00 0.00 H new ATOM 474 N ASP A 28 1.514 -6.385 6.111 1.00 0.00 N ATOM 475 CA ASP A 28 2.535 -6.320 7.150 1.00 0.00 C ATOM 476 C ASP A 28 3.272 -4.986 7.097 1.00 0.00 C ATOM 477 O ASP A 28 3.541 -4.373 8.130 1.00 0.00 O ATOM 478 CB ASP A 28 3.527 -7.476 6.991 1.00 0.00 C ATOM 479 CG ASP A 28 3.657 -8.302 8.257 1.00 0.00 C ATOM 480 OD1 ASP A 28 2.636 -8.488 8.952 1.00 0.00 O ATOM 481 OD2 ASP A 28 4.779 -8.765 8.551 1.00 0.00 O ATOM 0 H ASP A 28 1.724 -7.036 5.354 1.00 0.00 H new ATOM 0 HA ASP A 28 2.044 -6.406 8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.204 -8.119 6.172 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.504 -7.078 6.718 1.00 0.00 H new ATOM 486 N VAL A 29 3.595 -4.541 5.887 1.00 0.00 N ATOM 487 CA VAL A 29 4.298 -3.278 5.699 1.00 0.00 C ATOM 488 C VAL A 29 3.500 -2.116 6.280 1.00 0.00 C ATOM 489 O VAL A 29 4.054 -1.239 6.944 1.00 0.00 O ATOM 490 CB VAL A 29 4.573 -3.004 4.207 1.00 0.00 C ATOM 491 CG1 VAL A 29 5.438 -1.764 4.039 1.00 0.00 C ATOM 492 CG2 VAL A 29 5.228 -4.212 3.551 1.00 0.00 C ATOM 0 H VAL A 29 3.381 -5.037 5.022 1.00 0.00 H new ATOM 0 HA VAL A 29 5.249 -3.362 6.225 1.00 0.00 H new ATOM 0 HB VAL A 29 3.619 -2.823 3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.620 -1.588 2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.926 -0.902 4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.389 -1.912 4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.414 -3.998 2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.173 -4.429 4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.567 -5.075 3.635 1.00 0.00 H new ATOM 502 N LEU A 30 2.195 -2.118 6.029 1.00 0.00 N ATOM 503 CA LEU A 30 1.318 -1.064 6.528 1.00 0.00 C ATOM 504 C LEU A 30 1.187 -1.146 8.045 1.00 0.00 C ATOM 505 O LEU A 30 1.254 -0.131 8.740 1.00 0.00 O ATOM 506 CB LEU A 30 -0.062 -1.167 5.877 1.00 0.00 C ATOM 507 CG LEU A 30 -0.151 -0.613 4.454 1.00 0.00 C ATOM 508 CD1 LEU A 30 -1.146 -1.415 3.629 1.00 0.00 C ATOM 509 CD2 LEU A 30 -0.542 0.856 4.480 1.00 0.00 C ATOM 0 H LEU A 30 1.721 -2.838 5.483 1.00 0.00 H new ATOM 0 HA LEU A 30 1.760 -0.102 6.269 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.362 -2.215 5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.782 -0.638 6.502 1.00 0.00 H new ATOM 0 HG LEU A 30 0.830 -0.701 3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.195 -1.006 2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.825 -2.456 3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.131 -1.359 4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.601 1.235 3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.512 0.966 4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.206 1.422 5.035 1.00 0.00 H new ATOM 521 N ARG A 31 0.999 -2.361 8.553 1.00 0.00 N ATOM 522 CA ARG A 31 0.860 -2.576 9.989 1.00 0.00 C ATOM 523 C ARG A 31 2.075 -2.041 10.739 1.00 0.00 C ATOM 524 O ARG A 31 1.953 -1.507 11.841 1.00 0.00 O ATOM 525 CB ARG A 31 0.677 -4.065 10.287 1.00 0.00 C ATOM 526 CG ARG A 31 -0.046 -4.342 11.596 1.00 0.00 C ATOM 527 CD ARG A 31 0.832 -4.027 12.798 1.00 0.00 C ATOM 528 NE ARG A 31 0.853 -5.125 13.761 1.00 0.00 N ATOM 529 CZ ARG A 31 -0.159 -5.414 14.578 1.00 0.00 C ATOM 530 NH1 ARG A 31 -1.270 -4.689 14.552 1.00 0.00 N ATOM 531 NH2 ARG A 31 -0.057 -6.430 15.423 1.00 0.00 N ATOM 0 H ARG A 31 0.940 -3.211 7.992 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.022 -2.033 10.329 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.120 -4.524 9.470 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.656 -4.544 10.314 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.956 -3.744 11.643 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.349 -5.388 11.630 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.848 -3.820 12.461 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.468 -3.123 13.286 1.00 0.00 H new ATOM 0 HE ARG A 31 1.691 -5.704 13.811 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.353 -3.906 13.904 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.041 -4.915 15.180 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.795 -6.990 15.447 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.831 -6.652 16.049 1.00 0.00 H new ATOM 545 N MET A 32 3.246 -2.185 10.130 1.00 0.00 N ATOM 546 CA MET A 32 4.485 -1.712 10.733 1.00 0.00 C ATOM 547 C MET A 32 4.688 -0.228 10.454 1.00 0.00 C ATOM 548 O MET A 32 5.216 0.507 11.288 1.00 0.00 O ATOM 549 CB MET A 32 5.675 -2.512 10.201 1.00 0.00 C ATOM 550 CG MET A 32 6.004 -3.740 11.032 1.00 0.00 C ATOM 551 SD MET A 32 7.075 -3.366 12.433 1.00 0.00 S ATOM 552 CE MET A 32 7.339 -5.005 13.106 1.00 0.00 C ATOM 0 H MET A 32 3.363 -2.626 9.218 1.00 0.00 H new ATOM 0 HA MET A 32 4.416 -1.856 11.811 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.465 -2.822 9.177 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.550 -1.864 10.164 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.078 -4.186 11.396 1.00 0.00 H new ATOM 0 HG3 MET A 32 6.488 -4.483 10.398 1.00 0.00 H new ATOM 0 HE1 MET A 32 7.985 -4.939 13.981 1.00 0.00 H new ATOM 0 HE2 MET A 32 6.381 -5.439 13.394 1.00 0.00 H new ATOM 0 HE3 MET A 32 7.811 -5.636 12.353 1.00 0.00 H new ATOM 562 N TYR A 33 4.261 0.207 9.271 1.00 0.00 N ATOM 563 CA TYR A 33 4.390 1.605 8.877 1.00 0.00 C ATOM 564 C TYR A 33 3.653 2.516 9.855 1.00 0.00 C ATOM 565 O TYR A 33 4.041 3.666 10.061 1.00 0.00 O ATOM 566 CB TYR A 33 3.847 1.806 7.460 1.00 0.00 C ATOM 567 CG TYR A 33 3.891 3.243 6.987 1.00 0.00 C ATOM 568 CD1 TYR A 33 5.081 3.958 6.988 1.00 0.00 C ATOM 569 CD2 TYR A 33 2.741 3.882 6.540 1.00 0.00 C ATOM 570 CE1 TYR A 33 5.125 5.271 6.558 1.00 0.00 C ATOM 571 CE2 TYR A 33 2.777 5.194 6.107 1.00 0.00 C ATOM 572 CZ TYR A 33 3.970 5.883 6.118 1.00 0.00 C ATOM 573 OH TYR A 33 4.010 7.190 5.689 1.00 0.00 O ATOM 0 H TYR A 33 3.823 -0.390 8.569 1.00 0.00 H new ATOM 0 HA TYR A 33 5.448 1.868 8.894 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.422 1.188 6.770 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.817 1.452 7.422 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.987 3.481 7.330 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.804 3.345 6.531 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.058 5.814 6.567 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.875 5.677 5.762 1.00 0.00 H new ATOM 0 HH TYR A 33 3.348 7.717 6.183 1.00 0.00 H new ATOM 583 N HIS A 34 2.586 1.994 10.451 1.00 0.00 N ATOM 584 CA HIS A 34 1.794 2.760 11.405 1.00 0.00 C ATOM 585 C HIS A 34 2.584 3.026 12.684 1.00 0.00 C ATOM 586 O HIS A 34 2.702 4.171 13.124 1.00 0.00 O ATOM 587 CB HIS A 34 0.501 2.017 11.739 1.00 0.00 C ATOM 588 CG HIS A 34 -0.509 2.861 12.451 1.00 0.00 C ATOM 589 ND1 HIS A 34 -0.394 3.640 13.554 1.00 0.00 N flip ATOM 590 CD2 HIS A 34 -1.820 2.972 12.041 1.00 0.00 C flip ATOM 591 CE1 HIS A 34 -1.626 4.202 13.785 1.00 0.00 C flip ATOM 592 NE2 HIS A 34 -2.469 3.783 12.858 1.00 0.00 N flip ATOM 0 H HIS A 34 2.250 1.044 10.290 1.00 0.00 H new ATOM 0 HA HIS A 34 1.548 3.718 10.946 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.060 1.639 10.816 1.00 0.00 H new ATOM 0 HB3 HIS A 34 0.739 1.151 12.357 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.250 2.474 11.185 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -1.866 4.877 14.593 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.453 4.041 12.785 1.00 0.00 H new ATOM 601 N GLN A 35 3.121 1.964 13.274 1.00 0.00 N ATOM 602 CA GLN A 35 3.898 2.083 14.504 1.00 0.00 C ATOM 603 C GLN A 35 5.278 2.667 14.225 1.00 0.00 C ATOM 604 O GLN A 35 5.786 3.482 14.996 1.00 0.00 O ATOM 605 CB GLN A 35 4.034 0.718 15.179 1.00 0.00 C ATOM 606 CG GLN A 35 2.953 0.438 16.210 1.00 0.00 C ATOM 607 CD GLN A 35 2.498 -1.008 16.199 1.00 0.00 C ATOM 608 OE1 GLN A 35 2.539 -1.677 15.167 1.00 0.00 O ATOM 609 NE2 GLN A 35 2.057 -1.498 17.354 1.00 0.00 N ATOM 0 H GLN A 35 3.033 1.011 12.921 1.00 0.00 H new ATOM 0 HA GLN A 35 3.368 2.761 15.174 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.006 -0.060 14.416 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.009 0.656 15.662 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.328 0.689 17.202 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.097 1.086 16.019 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.040 -0.907 18.185 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.735 -2.464 17.408 1.00 0.00 H new ATOM 618 N THR A 36 5.881 2.243 13.122 1.00 0.00 N ATOM 619 CA THR A 36 7.205 2.721 12.741 1.00 0.00 C ATOM 620 C THR A 36 7.139 4.150 12.208 1.00 0.00 C ATOM 621 O THR A 36 7.978 4.986 12.540 1.00 0.00 O ATOM 622 CB THR A 36 7.820 1.800 11.686 1.00 0.00 C ATOM 623 OG1 THR A 36 7.111 1.895 10.463 1.00 0.00 O ATOM 624 CG2 THR A 36 7.831 0.344 12.096 1.00 0.00 C ATOM 0 H THR A 36 5.474 1.568 12.474 1.00 0.00 H new ATOM 0 HA THR A 36 7.834 2.714 13.631 1.00 0.00 H new ATOM 0 HB THR A 36 8.850 2.138 11.574 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.158 1.735 10.624 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.280 -0.254 11.303 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.412 0.228 13.011 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.809 0.007 12.270 1.00 0.00 H new ATOM 632 N MET A 37 6.134 4.420 11.381 1.00 0.00 N ATOM 633 CA MET A 37 5.959 5.747 10.802 1.00 0.00 C ATOM 634 C MET A 37 7.164 6.133 9.951 1.00 0.00 C ATOM 635 O MET A 37 7.605 7.282 9.966 1.00 0.00 O ATOM 636 CB MET A 37 5.742 6.785 11.905 1.00 0.00 C ATOM 637 CG MET A 37 4.305 6.864 12.393 1.00 0.00 C ATOM 638 SD MET A 37 3.363 8.160 11.566 1.00 0.00 S ATOM 639 CE MET A 37 1.906 7.248 11.061 1.00 0.00 C ATOM 0 H MET A 37 5.430 3.739 11.097 1.00 0.00 H new ATOM 0 HA MET A 37 5.078 5.722 10.160 1.00 0.00 H new ATOM 0 HB2 MET A 37 6.391 6.548 12.748 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.046 7.764 11.535 1.00 0.00 H new ATOM 0 HG2 MET A 37 3.816 5.904 12.229 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.299 7.045 13.468 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.224 7.915 10.534 1.00 0.00 H new ATOM 0 HE2 MET A 37 2.198 6.432 10.400 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.408 6.841 11.941 1.00 0.00 H new ATOM 649 N ASP A 38 7.690 5.165 9.208 1.00 0.00 N ATOM 650 CA ASP A 38 8.845 5.404 8.349 1.00 0.00 C ATOM 651 C ASP A 38 8.474 5.233 6.880 1.00 0.00 C ATOM 652 O ASP A 38 8.356 4.112 6.384 1.00 0.00 O ATOM 653 CB ASP A 38 9.985 4.450 8.713 1.00 0.00 C ATOM 654 CG ASP A 38 11.346 5.106 8.605 1.00 0.00 C ATOM 655 OD1 ASP A 38 11.472 6.090 7.844 1.00 0.00 O ATOM 656 OD2 ASP A 38 12.286 4.638 9.280 1.00 0.00 O ATOM 0 H ASP A 38 7.336 4.209 9.183 1.00 0.00 H new ATOM 0 HA ASP A 38 9.176 6.431 8.505 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.840 4.087 9.730 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.951 3.581 8.056 1.00 0.00 H new ATOM 661 N VAL A 39 8.289 6.353 6.187 1.00 0.00 N ATOM 662 CA VAL A 39 7.930 6.326 4.774 1.00 0.00 C ATOM 663 C VAL A 39 9.063 5.758 3.928 1.00 0.00 C ATOM 664 O VAL A 39 8.827 5.148 2.885 1.00 0.00 O ATOM 665 CB VAL A 39 7.573 7.733 4.257 1.00 0.00 C ATOM 666 CG1 VAL A 39 6.958 7.651 2.867 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.632 8.440 5.224 1.00 0.00 C ATOM 0 H VAL A 39 8.382 7.289 6.581 1.00 0.00 H new ATOM 0 HA VAL A 39 7.056 5.681 4.684 1.00 0.00 H new ATOM 0 HB VAL A 39 8.491 8.317 4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.712 8.654 2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.670 7.192 2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.051 7.048 2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.393 9.432 4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.715 7.860 5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.114 8.535 6.197 1.00 0.00 H new ATOM 677 N ALA A 40 10.295 5.961 4.385 1.00 0.00 N ATOM 678 CA ALA A 40 11.466 5.468 3.669 1.00 0.00 C ATOM 679 C ALA A 40 11.449 3.947 3.571 1.00 0.00 C ATOM 680 O ALA A 40 11.619 3.381 2.490 1.00 0.00 O ATOM 681 CB ALA A 40 12.739 5.941 4.354 1.00 0.00 C ATOM 0 H ALA A 40 10.508 6.463 5.247 1.00 0.00 H new ATOM 0 HA ALA A 40 11.440 5.871 2.656 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.606 5.566 3.810 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.762 7.031 4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.763 5.566 5.377 1.00 0.00 H new ATOM 687 N VAL A 41 11.243 3.287 4.707 1.00 0.00 N ATOM 688 CA VAL A 41 11.206 1.831 4.750 1.00 0.00 C ATOM 689 C VAL A 41 9.979 1.293 4.023 1.00 0.00 C ATOM 690 O VAL A 41 10.039 0.250 3.371 1.00 0.00 O ATOM 691 CB VAL A 41 11.198 1.311 6.201 1.00 0.00 C ATOM 692 CG1 VAL A 41 11.361 -0.201 6.227 1.00 0.00 C ATOM 693 CG2 VAL A 41 12.291 1.986 7.015 1.00 0.00 C ATOM 0 H VAL A 41 11.099 3.739 5.610 1.00 0.00 H new ATOM 0 HA VAL A 41 12.107 1.476 4.250 1.00 0.00 H new ATOM 0 HB VAL A 41 10.236 1.557 6.651 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.353 -0.550 7.260 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.540 -0.665 5.681 1.00 0.00 H new ATOM 0 HG13 VAL A 41 12.307 -0.473 5.759 1.00 0.00 H new ATOM 0 HG21 VAL A 41 12.271 1.607 8.037 1.00 0.00 H new ATOM 0 HG22 VAL A 41 13.262 1.772 6.568 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.125 3.063 7.024 1.00 0.00 H new ATOM 703 N LEU A 42 8.868 2.011 4.138 1.00 0.00 N ATOM 704 CA LEU A 42 7.625 1.606 3.492 1.00 0.00 C ATOM 705 C LEU A 42 7.798 1.524 1.978 1.00 0.00 C ATOM 706 O LEU A 42 7.449 0.518 1.358 1.00 0.00 O ATOM 707 CB LEU A 42 6.504 2.591 3.831 1.00 0.00 C ATOM 708 CG LEU A 42 5.159 2.300 3.161 1.00 0.00 C ATOM 709 CD1 LEU A 42 4.242 1.542 4.107 1.00 0.00 C ATOM 710 CD2 LEU A 42 4.502 3.593 2.700 1.00 0.00 C ATOM 0 H LEU A 42 8.802 2.877 4.673 1.00 0.00 H new ATOM 0 HA LEU A 42 7.359 0.617 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.360 2.596 4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.824 3.594 3.547 1.00 0.00 H new ATOM 0 HG LEU A 42 5.339 1.675 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.291 1.345 3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.708 0.597 4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.068 2.140 5.002 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.547 3.367 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.336 4.243 3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.152 4.096 1.984 1.00 0.00 H new ATOM 722 N VAL A 43 8.339 2.586 1.390 1.00 0.00 N ATOM 723 CA VAL A 43 8.556 2.633 -0.051 1.00 0.00 C ATOM 724 C VAL A 43 9.526 1.542 -0.496 1.00 0.00 C ATOM 725 O VAL A 43 9.334 0.916 -1.539 1.00 0.00 O ATOM 726 CB VAL A 43 9.105 4.003 -0.493 1.00 0.00 C ATOM 727 CG1 VAL A 43 9.173 4.088 -2.011 1.00 0.00 C ATOM 728 CG2 VAL A 43 8.254 5.130 0.073 1.00 0.00 C ATOM 0 H VAL A 43 8.635 3.425 1.889 1.00 0.00 H new ATOM 0 HA VAL A 43 7.587 2.470 -0.522 1.00 0.00 H new ATOM 0 HB VAL A 43 10.116 4.110 -0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.563 5.063 -2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.830 3.305 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.174 3.957 -2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.658 6.089 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.230 5.028 -0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.263 5.081 1.162 1.00 0.00 H new ATOM 738 N GLY A 44 10.566 1.319 0.301 1.00 0.00 N ATOM 739 CA GLY A 44 11.549 0.304 -0.031 1.00 0.00 C ATOM 740 C GLY A 44 10.936 -1.075 -0.175 1.00 0.00 C ATOM 741 O GLY A 44 10.997 -1.680 -1.244 1.00 0.00 O ATOM 0 H GLY A 44 10.746 1.822 1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.046 0.576 -0.962 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.315 0.278 0.744 1.00 0.00 H new ATOM 745 N ASP A 45 10.343 -1.574 0.907 1.00 0.00 N ATOM 746 CA ASP A 45 9.715 -2.891 0.897 1.00 0.00 C ATOM 747 C ASP A 45 8.639 -2.976 -0.181 1.00 0.00 C ATOM 748 O ASP A 45 8.581 -3.944 -0.939 1.00 0.00 O ATOM 749 CB ASP A 45 9.107 -3.199 2.266 1.00 0.00 C ATOM 750 CG ASP A 45 8.647 -4.638 2.383 1.00 0.00 C ATOM 751 OD1 ASP A 45 8.139 -5.183 1.380 1.00 0.00 O ATOM 752 OD2 ASP A 45 8.793 -5.222 3.478 1.00 0.00 O ATOM 0 H ASP A 45 10.285 -1.086 1.801 1.00 0.00 H new ATOM 0 HA ASP A 45 10.485 -3.630 0.673 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.843 -2.991 3.043 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.261 -2.534 2.443 1.00 0.00 H new ATOM 757 N LEU A 46 7.789 -1.956 -0.244 1.00 0.00 N ATOM 758 CA LEU A 46 6.713 -1.915 -1.229 1.00 0.00 C ATOM 759 C LEU A 46 7.265 -2.057 -2.644 1.00 0.00 C ATOM 760 O LEU A 46 6.593 -2.579 -3.532 1.00 0.00 O ATOM 761 CB LEU A 46 5.928 -0.608 -1.102 1.00 0.00 C ATOM 762 CG LEU A 46 4.822 -0.618 -0.045 1.00 0.00 C ATOM 763 CD1 LEU A 46 4.293 0.788 0.187 1.00 0.00 C ATOM 764 CD2 LEU A 46 3.696 -1.551 -0.463 1.00 0.00 C ATOM 0 H LEU A 46 7.824 -1.146 0.375 1.00 0.00 H new ATOM 0 HA LEU A 46 6.043 -2.753 -1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.626 0.196 -0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.483 -0.373 -2.069 1.00 0.00 H new ATOM 0 HG LEU A 46 5.243 -0.984 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.507 0.761 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.104 1.430 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.888 1.183 -0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.918 -1.546 0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.277 -1.214 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.085 -2.563 -0.578 1.00 0.00 H new ATOM 776 N LYS A 47 8.492 -1.592 -2.847 1.00 0.00 N ATOM 777 CA LYS A 47 9.130 -1.673 -4.157 1.00 0.00 C ATOM 778 C LYS A 47 9.568 -3.105 -4.456 1.00 0.00 C ATOM 779 O LYS A 47 9.277 -3.644 -5.523 1.00 0.00 O ATOM 780 CB LYS A 47 10.336 -0.732 -4.216 1.00 0.00 C ATOM 781 CG LYS A 47 10.131 0.466 -5.127 1.00 0.00 C ATOM 782 CD LYS A 47 11.235 1.494 -4.948 1.00 0.00 C ATOM 783 CE LYS A 47 11.156 2.588 -6.003 1.00 0.00 C ATOM 784 NZ LYS A 47 12.454 3.301 -6.165 1.00 0.00 N ATOM 0 H LYS A 47 9.064 -1.156 -2.124 1.00 0.00 H new ATOM 0 HA LYS A 47 8.405 -1.369 -4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.559 -0.378 -3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.207 -1.292 -4.557 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.105 0.135 -6.165 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.166 0.926 -4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.162 1.939 -3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.205 1.001 -5.006 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.861 2.151 -6.957 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.381 3.303 -5.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.567 3.595 -7.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.468 4.141 -5.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.234 2.666 -5.901 1.00 0.00 H new ATOM 798 N LEU A 48 10.270 -3.712 -3.505 1.00 0.00 N ATOM 799 CA LEU A 48 10.757 -5.079 -3.660 1.00 0.00 C ATOM 800 C LEU A 48 9.623 -6.035 -4.023 1.00 0.00 C ATOM 801 O LEU A 48 9.816 -6.976 -4.794 1.00 0.00 O ATOM 802 CB LEU A 48 11.439 -5.553 -2.376 1.00 0.00 C ATOM 803 CG LEU A 48 12.461 -4.580 -1.780 1.00 0.00 C ATOM 804 CD1 LEU A 48 13.036 -5.138 -0.488 1.00 0.00 C ATOM 805 CD2 LEU A 48 13.569 -4.292 -2.780 1.00 0.00 C ATOM 0 H LEU A 48 10.515 -3.277 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 48 11.482 -5.080 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.671 -5.751 -1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.939 -6.500 -2.578 1.00 0.00 H new ATOM 0 HG LEU A 48 11.954 -3.643 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.760 -4.434 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.232 -5.292 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.529 -6.089 -0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.286 -3.599 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.076 -5.222 -3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.141 -3.849 -3.679 1.00 0.00 H new ATOM 817 N VAL A 49 8.446 -5.798 -3.455 1.00 0.00 N ATOM 818 CA VAL A 49 7.290 -6.648 -3.716 1.00 0.00 C ATOM 819 C VAL A 49 6.453 -6.116 -4.875 1.00 0.00 C ATOM 820 O VAL A 49 6.066 -6.867 -5.772 1.00 0.00 O ATOM 821 CB VAL A 49 6.416 -6.800 -2.449 1.00 0.00 C ATOM 822 CG1 VAL A 49 5.414 -5.661 -2.310 1.00 0.00 C ATOM 823 CG2 VAL A 49 5.706 -8.144 -2.449 1.00 0.00 C ATOM 0 H VAL A 49 8.267 -5.026 -2.812 1.00 0.00 H new ATOM 0 HA VAL A 49 7.669 -7.631 -3.997 1.00 0.00 H new ATOM 0 HB VAL A 49 7.080 -6.755 -1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.821 -5.807 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.948 -4.713 -2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.756 -5.647 -3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.096 -8.233 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.068 -8.218 -3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.444 -8.946 -2.467 1.00 0.00 H new ATOM 833 N ILE A 50 6.172 -4.819 -4.848 1.00 0.00 N ATOM 834 CA ILE A 50 5.373 -4.188 -5.897 1.00 0.00 C ATOM 835 C ILE A 50 6.250 -3.654 -7.032 1.00 0.00 C ATOM 836 O ILE A 50 5.836 -2.768 -7.780 1.00 0.00 O ATOM 837 CB ILE A 50 4.514 -3.030 -5.346 1.00 0.00 C ATOM 838 CG1 ILE A 50 3.883 -3.417 -4.004 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.435 -2.648 -6.350 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.932 -2.374 -3.455 1.00 0.00 C ATOM 0 H ILE A 50 6.484 -4.183 -4.114 1.00 0.00 H new ATOM 0 HA ILE A 50 4.716 -4.966 -6.285 1.00 0.00 H new ATOM 0 HB ILE A 50 5.161 -2.168 -5.185 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.346 -4.358 -4.123 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.676 -3.592 -3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.837 -1.830 -5.948 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.902 -2.332 -7.283 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.793 -3.508 -6.539 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.525 -2.718 -2.504 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.468 -1.437 -3.303 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.118 -2.216 -4.162 1.00 0.00 H new ATOM 852 N ASN A 51 7.458 -4.198 -7.163 1.00 0.00 N ATOM 853 CA ASN A 51 8.378 -3.771 -8.214 1.00 0.00 C ATOM 854 C ASN A 51 7.757 -3.980 -9.593 1.00 0.00 C ATOM 855 O ASN A 51 7.924 -3.155 -10.493 1.00 0.00 O ATOM 856 CB ASN A 51 9.696 -4.544 -8.111 1.00 0.00 C ATOM 857 CG ASN A 51 10.862 -3.653 -7.734 1.00 0.00 C ATOM 858 OD1 ASN A 51 11.016 -2.550 -8.262 1.00 0.00 O ATOM 859 ND2 ASN A 51 11.694 -4.127 -6.813 1.00 0.00 N ATOM 0 H ASN A 51 7.821 -4.933 -6.556 1.00 0.00 H new ATOM 0 HA ASN A 51 8.578 -2.708 -8.082 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.593 -5.335 -7.369 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.906 -5.027 -9.065 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.497 -3.572 -6.518 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.529 -5.046 -6.401 1.00 0.00 H new ATOM 866 N GLU A 52 7.044 -5.091 -9.750 1.00 0.00 N ATOM 867 CA GLU A 52 6.398 -5.420 -11.012 1.00 0.00 C ATOM 868 C GLU A 52 5.517 -4.267 -11.494 1.00 0.00 C ATOM 869 O GLU A 52 4.520 -3.931 -10.858 1.00 0.00 O ATOM 870 CB GLU A 52 5.558 -6.692 -10.860 1.00 0.00 C ATOM 871 CG GLU A 52 6.134 -7.892 -11.593 1.00 0.00 C ATOM 872 CD GLU A 52 5.355 -9.166 -11.329 1.00 0.00 C ATOM 873 OE1 GLU A 52 4.349 -9.403 -12.029 1.00 0.00 O ATOM 874 OE2 GLU A 52 5.752 -9.928 -10.422 1.00 0.00 O ATOM 0 H GLU A 52 6.900 -5.781 -9.013 1.00 0.00 H new ATOM 0 HA GLU A 52 7.176 -5.591 -11.756 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.467 -6.933 -9.801 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.551 -6.499 -11.231 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.141 -7.690 -12.664 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.171 -8.035 -11.289 1.00 0.00 H new ATOM 881 N PRO A 53 5.878 -3.644 -12.630 1.00 0.00 N ATOM 882 CA PRO A 53 5.120 -2.526 -13.197 1.00 0.00 C ATOM 883 C PRO A 53 3.612 -2.766 -13.174 1.00 0.00 C ATOM 884 O PRO A 53 2.826 -1.824 -13.083 1.00 0.00 O ATOM 885 CB PRO A 53 5.632 -2.464 -14.635 1.00 0.00 C ATOM 886 CG PRO A 53 7.033 -2.967 -14.558 1.00 0.00 C ATOM 887 CD PRO A 53 7.059 -3.982 -13.445 1.00 0.00 C ATOM 0 HA PRO A 53 5.261 -1.604 -12.632 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.026 -3.080 -15.299 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.597 -1.447 -15.025 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.336 -3.418 -15.503 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.728 -2.152 -14.357 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.000 -5.000 -13.831 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.978 -3.914 -12.864 1.00 0.00 H new ATOM 895 N SER A 54 3.215 -4.032 -13.259 1.00 0.00 N ATOM 896 CA SER A 54 1.802 -4.391 -13.245 1.00 0.00 C ATOM 897 C SER A 54 1.176 -4.101 -11.883 1.00 0.00 C ATOM 898 O SER A 54 -0.021 -3.831 -11.784 1.00 0.00 O ATOM 899 CB SER A 54 1.628 -5.871 -13.593 1.00 0.00 C ATOM 900 OG SER A 54 2.521 -6.262 -14.622 1.00 0.00 O ATOM 0 H SER A 54 3.851 -4.825 -13.338 1.00 0.00 H new ATOM 0 HA SER A 54 1.293 -3.784 -13.994 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.802 -6.479 -12.705 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.601 -6.055 -13.909 1.00 0.00 H new ATOM 0 HG SER A 54 2.391 -7.212 -14.825 1.00 0.00 H new ATOM 906 N ARG A 55 1.993 -4.163 -10.837 1.00 0.00 N ATOM 907 CA ARG A 55 1.525 -3.912 -9.479 1.00 0.00 C ATOM 908 C ARG A 55 1.610 -2.428 -9.122 1.00 0.00 C ATOM 909 O ARG A 55 1.057 -1.994 -8.111 1.00 0.00 O ATOM 910 CB ARG A 55 2.348 -4.728 -8.479 1.00 0.00 C ATOM 911 CG ARG A 55 2.178 -6.230 -8.630 1.00 0.00 C ATOM 912 CD ARG A 55 3.359 -6.983 -8.036 1.00 0.00 C ATOM 913 NE ARG A 55 3.416 -8.367 -8.502 1.00 0.00 N ATOM 914 CZ ARG A 55 2.675 -9.351 -7.997 1.00 0.00 C ATOM 915 NH1 ARG A 55 1.817 -9.109 -7.013 1.00 0.00 N ATOM 916 NH2 ARG A 55 2.790 -10.581 -8.477 1.00 0.00 N ATOM 0 H ARG A 55 2.986 -4.386 -10.904 1.00 0.00 H new ATOM 0 HA ARG A 55 0.479 -4.216 -9.428 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.402 -4.477 -8.599 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.064 -4.439 -7.467 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.258 -6.545 -8.137 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.077 -6.482 -9.686 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.285 -6.473 -8.301 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.288 -6.969 -6.948 1.00 0.00 H new ATOM 0 HE ARG A 55 4.062 -8.592 -9.259 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.723 -8.165 -6.639 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.252 -9.868 -6.631 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.446 -10.774 -9.234 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.222 -11.335 -8.090 1.00 0.00 H new ATOM 930 N LEU A 56 2.308 -1.650 -9.948 1.00 0.00 N ATOM 931 CA LEU A 56 2.462 -0.218 -9.704 1.00 0.00 C ATOM 932 C LEU A 56 1.116 0.453 -9.421 1.00 0.00 C ATOM 933 O LEU A 56 0.978 1.191 -8.446 1.00 0.00 O ATOM 934 CB LEU A 56 3.146 0.457 -10.896 1.00 0.00 C ATOM 935 CG LEU A 56 4.674 0.446 -10.856 1.00 0.00 C ATOM 936 CD1 LEU A 56 5.246 1.131 -12.086 1.00 0.00 C ATOM 937 CD2 LEU A 56 5.177 1.118 -9.586 1.00 0.00 C ATOM 0 H LEU A 56 2.775 -1.987 -10.790 1.00 0.00 H new ATOM 0 HA LEU A 56 3.088 -0.101 -8.819 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.818 -0.036 -11.811 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.807 1.491 -10.952 1.00 0.00 H new ATOM 0 HG LEU A 56 5.011 -0.590 -10.854 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.335 1.113 -12.039 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.913 0.608 -12.982 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.901 2.165 -12.120 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.267 1.102 -9.573 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.829 2.151 -9.558 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.796 0.583 -8.716 1.00 0.00 H new ATOM 949 N PRO A 57 0.099 0.204 -10.267 1.00 0.00 N ATOM 950 CA PRO A 57 -1.234 0.790 -10.090 1.00 0.00 C ATOM 951 C PRO A 57 -1.762 0.618 -8.670 1.00 0.00 C ATOM 952 O PRO A 57 -2.588 1.403 -8.205 1.00 0.00 O ATOM 953 CB PRO A 57 -2.099 0.008 -11.078 1.00 0.00 C ATOM 954 CG PRO A 57 -1.155 -0.433 -12.141 1.00 0.00 C ATOM 955 CD PRO A 57 0.166 -0.666 -11.459 1.00 0.00 C ATOM 0 HA PRO A 57 -1.230 1.866 -10.263 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.579 -0.844 -10.596 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.894 0.631 -11.488 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.510 -1.344 -12.623 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.063 0.325 -12.919 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.297 -1.713 -11.185 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.003 -0.399 -12.104 1.00 0.00 H new ATOM 963 N LEU A 58 -1.282 -0.415 -7.985 1.00 0.00 N ATOM 964 CA LEU A 58 -1.707 -0.691 -6.617 1.00 0.00 C ATOM 965 C LEU A 58 -1.424 0.497 -5.702 1.00 0.00 C ATOM 966 O LEU A 58 -2.190 0.779 -4.781 1.00 0.00 O ATOM 967 CB LEU A 58 -0.997 -1.938 -6.084 1.00 0.00 C ATOM 968 CG LEU A 58 -1.803 -2.764 -5.083 1.00 0.00 C ATOM 969 CD1 LEU A 58 -1.388 -4.227 -5.144 1.00 0.00 C ATOM 970 CD2 LEU A 58 -1.625 -2.218 -3.675 1.00 0.00 C ATOM 0 H LEU A 58 -0.598 -1.075 -8.355 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.783 -0.866 -6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.732 -2.575 -6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.064 -1.632 -5.611 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.858 -2.693 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.972 -4.801 -4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.566 -4.614 -6.147 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.328 -4.315 -4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.206 -2.819 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.571 -2.259 -3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.970 -1.185 -3.639 1.00 0.00 H new ATOM 982 N PHE A 59 -0.321 1.191 -5.965 1.00 0.00 N ATOM 983 CA PHE A 59 0.069 2.352 -5.168 1.00 0.00 C ATOM 984 C PHE A 59 -1.092 3.331 -5.014 1.00 0.00 C ATOM 985 O PHE A 59 -1.195 4.039 -4.010 1.00 0.00 O ATOM 986 CB PHE A 59 1.261 3.061 -5.815 1.00 0.00 C ATOM 987 CG PHE A 59 2.593 2.476 -5.436 1.00 0.00 C ATOM 988 CD1 PHE A 59 3.059 1.325 -6.051 1.00 0.00 C ATOM 989 CD2 PHE A 59 3.379 3.080 -4.469 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.285 0.786 -5.705 1.00 0.00 C ATOM 991 CE2 PHE A 59 4.606 2.546 -4.120 1.00 0.00 C ATOM 992 CZ PHE A 59 5.059 1.399 -4.739 1.00 0.00 C ATOM 0 H PHE A 59 0.321 0.970 -6.726 1.00 0.00 H new ATOM 0 HA PHE A 59 0.353 1.998 -4.177 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.152 3.020 -6.899 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.243 4.114 -5.532 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.458 0.844 -6.809 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.030 3.978 -3.982 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.637 -0.113 -6.189 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.209 3.026 -3.364 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.017 0.981 -4.469 1.00 0.00 H new ATOM 1002 N ASP A 60 -1.963 3.369 -6.019 1.00 0.00 N ATOM 1003 CA ASP A 60 -3.116 4.263 -6.001 1.00 0.00 C ATOM 1004 C ASP A 60 -3.940 4.081 -4.732 1.00 0.00 C ATOM 1005 O ASP A 60 -4.249 5.046 -4.039 1.00 0.00 O ATOM 1006 CB ASP A 60 -3.995 4.019 -7.230 1.00 0.00 C ATOM 1007 CG ASP A 60 -3.496 4.759 -8.455 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -2.281 5.041 -8.525 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -4.320 5.056 -9.345 1.00 0.00 O ATOM 0 H ASP A 60 -1.892 2.791 -6.856 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.743 5.287 -6.021 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.028 2.951 -7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.016 4.332 -7.011 1.00 0.00 H new ATOM 1014 N ALA A 61 -4.295 2.836 -4.439 1.00 0.00 N ATOM 1015 CA ALA A 61 -5.088 2.519 -3.255 1.00 0.00 C ATOM 1016 C ALA A 61 -4.276 2.678 -1.971 1.00 0.00 C ATOM 1017 O ALA A 61 -4.838 2.874 -0.894 1.00 0.00 O ATOM 1018 CB ALA A 61 -5.641 1.106 -3.357 1.00 0.00 C ATOM 0 H ALA A 61 -4.046 2.026 -5.007 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.916 3.227 -3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.231 0.881 -2.468 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.273 1.026 -4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.816 0.397 -3.434 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.954 2.590 -2.088 1.00 0.00 N ATOM 1025 CA ILE A 62 -2.077 2.722 -0.930 1.00 0.00 C ATOM 1026 C ILE A 62 -2.087 4.146 -0.381 1.00 0.00 C ATOM 1027 O ILE A 62 -2.017 4.356 0.830 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.627 2.326 -1.274 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -0.597 0.948 -1.939 1.00 0.00 C ATOM 1030 CG2 ILE A 62 0.240 2.332 -0.022 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -1.088 -0.166 -1.041 1.00 0.00 C ATOM 0 H ILE A 62 -2.468 2.428 -2.970 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.462 2.044 -0.169 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.224 3.059 -1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.210 0.975 -2.840 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.423 0.727 -2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.260 2.050 -0.284 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.241 3.330 0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.159 1.620 0.700 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.039 -1.114 -1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.460 -0.220 -0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.119 0.032 -0.747 1.00 0.00 H new ATOM 1043 N ARG A 63 -2.171 5.125 -1.279 1.00 0.00 N ATOM 1044 CA ARG A 63 -2.185 6.528 -0.879 1.00 0.00 C ATOM 1045 C ARG A 63 -3.337 6.822 0.086 1.00 0.00 C ATOM 1046 O ARG A 63 -3.114 7.270 1.210 1.00 0.00 O ATOM 1047 CB ARG A 63 -2.289 7.429 -2.113 1.00 0.00 C ATOM 1048 CG ARG A 63 -0.943 7.916 -2.624 1.00 0.00 C ATOM 1049 CD ARG A 63 -1.018 9.353 -3.114 1.00 0.00 C ATOM 1050 NE ARG A 63 -1.808 9.474 -4.336 1.00 0.00 N ATOM 1051 CZ ARG A 63 -1.406 9.029 -5.525 1.00 0.00 C ATOM 1052 NH1 ARG A 63 -0.230 8.429 -5.655 1.00 0.00 N ATOM 1053 NH2 ARG A 63 -2.185 9.182 -6.587 1.00 0.00 N ATOM 0 H ARG A 63 -2.230 4.972 -2.286 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.250 6.737 -0.360 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.795 6.884 -2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.911 8.291 -1.872 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.202 7.840 -1.828 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.606 7.271 -3.436 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.455 9.979 -2.336 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.010 9.727 -3.295 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.721 9.926 -4.275 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.373 8.306 -4.841 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.072 8.091 -6.569 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.091 9.640 -6.493 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.878 8.841 -7.498 1.00 0.00 H new ATOM 1067 N PRO A 64 -4.588 6.573 -0.345 1.00 0.00 N ATOM 1068 CA PRO A 64 -5.781 6.808 0.475 1.00 0.00 C ATOM 1069 C PRO A 64 -5.586 6.421 1.939 1.00 0.00 C ATOM 1070 O PRO A 64 -5.873 7.208 2.842 1.00 0.00 O ATOM 1071 CB PRO A 64 -6.818 5.903 -0.183 1.00 0.00 C ATOM 1072 CG PRO A 64 -6.441 5.893 -1.624 1.00 0.00 C ATOM 1073 CD PRO A 64 -4.942 6.042 -1.675 1.00 0.00 C ATOM 0 HA PRO A 64 -6.055 7.863 0.508 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.795 4.899 0.241 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.828 6.286 -0.039 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.755 4.964 -2.101 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.930 6.707 -2.159 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.453 5.087 -1.866 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.636 6.722 -2.470 1.00 0.00 H new ATOM 1081 N LEU A 65 -5.099 5.206 2.169 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.869 4.721 3.525 1.00 0.00 C ATOM 1083 C LEU A 65 -3.772 5.527 4.207 1.00 0.00 C ATOM 1084 O LEU A 65 -3.803 5.742 5.419 1.00 0.00 O ATOM 1085 CB LEU A 65 -4.489 3.239 3.501 1.00 0.00 C ATOM 1086 CG LEU A 65 -5.604 2.292 3.054 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -5.107 0.855 3.031 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -6.812 2.425 3.969 1.00 0.00 C ATOM 0 H LEU A 65 -4.856 4.540 1.435 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.792 4.842 4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.635 3.109 2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.163 2.947 4.499 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.905 2.566 2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.914 0.196 2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.272 0.770 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.779 0.568 4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.596 1.745 3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.524 2.176 4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.183 3.450 3.936 1.00 0.00 H new ATOM 1100 N ILE A 66 -2.802 5.972 3.418 1.00 0.00 N ATOM 1101 CA ILE A 66 -1.688 6.756 3.933 1.00 0.00 C ATOM 1102 C ILE A 66 -2.132 8.185 4.264 1.00 0.00 C ATOM 1103 O ILE A 66 -2.991 8.750 3.585 1.00 0.00 O ATOM 1104 CB ILE A 66 -0.517 6.774 2.918 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.579 5.795 3.352 1.00 0.00 C ATOM 1106 CG2 ILE A 66 0.058 8.174 2.751 1.00 0.00 C ATOM 1107 CD1 ILE A 66 0.723 4.605 2.428 1.00 0.00 C ATOM 0 H ILE A 66 -2.765 5.802 2.413 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.341 6.285 4.853 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.911 6.460 1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.530 6.325 3.401 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.360 5.439 4.359 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.877 8.148 2.032 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.720 8.846 2.390 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.430 8.532 3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.516 3.953 2.795 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.216 4.052 2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.973 4.951 1.425 1.00 0.00 H new ATOM 1119 N PRO A 67 -1.551 8.786 5.318 1.00 0.00 N ATOM 1120 CA PRO A 67 -1.887 10.153 5.741 1.00 0.00 C ATOM 1121 C PRO A 67 -1.817 11.159 4.597 1.00 0.00 C ATOM 1122 O PRO A 67 -1.141 10.930 3.594 1.00 0.00 O ATOM 1123 CB PRO A 67 -0.824 10.468 6.797 1.00 0.00 C ATOM 1124 CG PRO A 67 -0.430 9.139 7.339 1.00 0.00 C ATOM 1125 CD PRO A 67 -0.518 8.180 6.184 1.00 0.00 C ATOM 0 HA PRO A 67 -2.911 10.221 6.109 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.029 10.986 6.359 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.222 11.114 7.580 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.580 9.168 7.747 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.093 8.836 8.150 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.436 8.085 5.666 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.803 7.180 6.512 1.00 0.00 H new ATOM 1133 N LEU A 68 -2.527 12.272 4.755 1.00 0.00 N ATOM 1134 CA LEU A 68 -2.553 13.322 3.734 1.00 0.00 C ATOM 1135 C LEU A 68 -1.139 13.765 3.366 1.00 0.00 C ATOM 1136 O LEU A 68 -0.629 13.421 2.301 1.00 0.00 O ATOM 1137 CB LEU A 68 -3.372 14.545 4.192 1.00 0.00 C ATOM 1138 CG LEU A 68 -4.229 14.358 5.447 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -3.381 14.515 6.703 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -5.380 15.352 5.452 1.00 0.00 C ATOM 0 H LEU A 68 -3.093 12.473 5.579 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.035 12.894 2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.683 15.371 4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.026 14.845 3.373 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.642 13.349 5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.008 14.379 7.584 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.588 13.767 6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.940 15.512 6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.981 15.208 6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.984 16.367 5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.001 15.194 4.570 1.00 0.00 H new ATOM 1152 N LYS A 69 -0.509 14.532 4.255 1.00 0.00 N ATOM 1153 CA LYS A 69 0.847 15.020 4.021 1.00 0.00 C ATOM 1154 C LYS A 69 1.760 13.889 3.562 1.00 0.00 C ATOM 1155 O LYS A 69 2.689 14.100 2.778 1.00 0.00 O ATOM 1156 CB LYS A 69 1.410 15.659 5.293 1.00 0.00 C ATOM 1157 CG LYS A 69 1.318 14.762 6.517 1.00 0.00 C ATOM 1158 CD LYS A 69 0.464 15.385 7.609 1.00 0.00 C ATOM 1159 CE LYS A 69 1.314 16.138 8.620 1.00 0.00 C ATOM 1160 NZ LYS A 69 1.298 17.607 8.376 1.00 0.00 N ATOM 0 H LYS A 69 -0.916 14.828 5.142 1.00 0.00 H new ATOM 0 HA LYS A 69 0.804 15.772 3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.454 15.924 5.125 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.873 16.587 5.492 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.896 13.798 6.231 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.319 14.570 6.903 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.260 16.066 7.162 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.103 14.606 8.118 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.948 15.933 9.626 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.340 15.774 8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.889 18.083 9.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.671 17.805 7.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.322 17.960 8.445 1.00 0.00 H new ATOM 1174 N HIS A 70 1.482 12.687 4.051 1.00 0.00 N ATOM 1175 CA HIS A 70 2.271 11.520 3.687 1.00 0.00 C ATOM 1176 C HIS A 70 2.123 11.213 2.203 1.00 0.00 C ATOM 1177 O HIS A 70 3.074 10.785 1.552 1.00 0.00 O ATOM 1178 CB HIS A 70 1.849 10.312 4.524 1.00 0.00 C ATOM 1179 CG HIS A 70 2.404 10.332 5.914 1.00 0.00 C ATOM 1180 ND1 HIS A 70 2.644 9.189 6.646 1.00 0.00 N ATOM 1181 CD2 HIS A 70 2.770 11.367 6.703 1.00 0.00 C ATOM 1182 CE1 HIS A 70 3.131 9.521 7.829 1.00 0.00 C ATOM 1183 NE2 HIS A 70 3.218 10.837 7.888 1.00 0.00 N ATOM 0 H HIS A 70 0.718 12.496 4.699 1.00 0.00 H new ATOM 0 HA HIS A 70 3.320 11.737 3.890 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.761 10.276 4.575 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.175 9.400 4.023 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.719 12.415 6.449 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.410 8.833 8.613 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.562 11.373 8.685 1.00 0.00 H new ATOM 1192 N GLN A 71 0.925 11.445 1.669 1.00 0.00 N ATOM 1193 CA GLN A 71 0.662 11.202 0.253 1.00 0.00 C ATOM 1194 C GLN A 71 1.604 12.032 -0.611 1.00 0.00 C ATOM 1195 O GLN A 71 2.252 11.513 -1.520 1.00 0.00 O ATOM 1196 CB GLN A 71 -0.791 11.543 -0.090 1.00 0.00 C ATOM 1197 CG GLN A 71 -1.798 10.538 0.447 1.00 0.00 C ATOM 1198 CD GLN A 71 -3.228 11.021 0.312 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -3.535 12.177 0.604 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -4.112 10.136 -0.131 1.00 0.00 N ATOM 0 H GLN A 71 0.125 11.799 2.193 1.00 0.00 H new ATOM 0 HA GLN A 71 0.833 10.145 0.051 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.027 12.529 0.309 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.895 11.604 -1.173 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.685 9.594 -0.087 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.583 10.338 1.497 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.813 9.188 -0.361 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.090 10.404 -0.241 1.00 0.00 H new ATOM 1209 N VAL A 72 1.677 13.321 -0.306 1.00 0.00 N ATOM 1210 CA VAL A 72 2.544 14.233 -1.041 1.00 0.00 C ATOM 1211 C VAL A 72 3.986 13.746 -1.010 1.00 0.00 C ATOM 1212 O VAL A 72 4.633 13.618 -2.050 1.00 0.00 O ATOM 1213 CB VAL A 72 2.481 15.659 -0.460 1.00 0.00 C ATOM 1214 CG1 VAL A 72 3.230 16.634 -1.354 1.00 0.00 C ATOM 1215 CG2 VAL A 72 1.036 16.096 -0.273 1.00 0.00 C ATOM 0 H VAL A 72 1.146 13.759 0.446 1.00 0.00 H new ATOM 0 HA VAL A 72 2.188 14.256 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 72 2.964 15.655 0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.174 17.635 -0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.274 16.330 -1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.780 16.637 -2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.011 17.105 0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.525 16.084 -1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.535 15.413 0.413 1.00 0.00 H new ATOM 1225 N GLU A 73 4.484 13.467 0.191 1.00 0.00 N ATOM 1226 CA GLU A 73 5.848 12.982 0.352 1.00 0.00 C ATOM 1227 C GLU A 73 6.005 11.612 -0.288 1.00 0.00 C ATOM 1228 O GLU A 73 7.074 11.276 -0.803 1.00 0.00 O ATOM 1229 CB GLU A 73 6.225 12.922 1.834 1.00 0.00 C ATOM 1230 CG GLU A 73 7.638 13.399 2.122 1.00 0.00 C ATOM 1231 CD GLU A 73 7.720 14.900 2.315 1.00 0.00 C ATOM 1232 OE1 GLU A 73 7.151 15.637 1.480 1.00 0.00 O ATOM 1233 OE2 GLU A 73 8.351 15.340 3.298 1.00 0.00 O ATOM 0 H GLU A 73 3.965 13.568 1.063 1.00 0.00 H new ATOM 0 HA GLU A 73 6.521 13.678 -0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.522 13.530 2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.118 11.896 2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.010 12.901 3.017 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.291 13.106 1.300 1.00 0.00 H new ATOM 1240 N TYR A 74 4.932 10.828 -0.274 1.00 0.00 N ATOM 1241 CA TYR A 74 4.956 9.500 -0.875 1.00 0.00 C ATOM 1242 C TYR A 74 5.369 9.607 -2.336 1.00 0.00 C ATOM 1243 O TYR A 74 6.178 8.820 -2.829 1.00 0.00 O ATOM 1244 CB TYR A 74 3.583 8.835 -0.764 1.00 0.00 C ATOM 1245 CG TYR A 74 3.631 7.326 -0.835 1.00 0.00 C ATOM 1246 CD1 TYR A 74 4.085 6.682 -1.979 1.00 0.00 C ATOM 1247 CD2 TYR A 74 3.219 6.545 0.239 1.00 0.00 C ATOM 1248 CE1 TYR A 74 4.128 5.302 -2.050 1.00 0.00 C ATOM 1249 CE2 TYR A 74 3.261 5.166 0.174 1.00 0.00 C ATOM 1250 CZ TYR A 74 3.716 4.550 -0.973 1.00 0.00 C ATOM 1251 OH TYR A 74 3.757 3.176 -1.041 1.00 0.00 O ATOM 0 H TYR A 74 4.039 11.088 0.145 1.00 0.00 H new ATOM 0 HA TYR A 74 5.680 8.885 -0.340 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.121 9.131 0.178 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.943 9.207 -1.564 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.409 7.268 -2.826 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.861 7.024 1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.483 4.816 -2.947 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.939 4.573 1.017 1.00 0.00 H new ATOM 0 HH TYR A 74 3.976 2.900 -1.955 1.00 0.00 H new ATOM 1261 N ASP A 75 4.815 10.605 -3.014 1.00 0.00 N ATOM 1262 CA ASP A 75 5.125 10.847 -4.415 1.00 0.00 C ATOM 1263 C ASP A 75 6.530 11.427 -4.563 1.00 0.00 C ATOM 1264 O ASP A 75 7.228 11.144 -5.536 1.00 0.00 O ATOM 1265 CB ASP A 75 4.099 11.799 -5.030 1.00 0.00 C ATOM 1266 CG ASP A 75 2.755 11.136 -5.253 1.00 0.00 C ATOM 1267 OD1 ASP A 75 2.329 10.352 -4.380 1.00 0.00 O ATOM 1268 OD2 ASP A 75 2.129 11.398 -6.302 1.00 0.00 O ATOM 0 H ASP A 75 4.146 11.262 -2.613 1.00 0.00 H new ATOM 0 HA ASP A 75 5.084 9.894 -4.943 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.971 12.662 -4.377 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.479 12.173 -5.981 1.00 0.00 H new ATOM 1273 N GLN A 76 6.936 12.245 -3.592 1.00 0.00 N ATOM 1274 CA GLN A 76 8.256 12.864 -3.625 1.00 0.00 C ATOM 1275 C GLN A 76 9.360 11.817 -3.500 1.00 0.00 C ATOM 1276 O GLN A 76 10.442 11.971 -4.063 1.00 0.00 O ATOM 1277 CB GLN A 76 8.388 13.896 -2.502 1.00 0.00 C ATOM 1278 CG GLN A 76 7.964 15.297 -2.913 1.00 0.00 C ATOM 1279 CD GLN A 76 8.907 16.367 -2.397 1.00 0.00 C ATOM 1280 OE1 GLN A 76 9.761 16.862 -3.130 1.00 0.00 O ATOM 1281 NE2 GLN A 76 8.753 16.727 -1.128 1.00 0.00 N ATOM 0 H GLN A 76 6.372 12.492 -2.779 1.00 0.00 H new ATOM 0 HA GLN A 76 8.366 13.365 -4.587 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.784 13.577 -1.653 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.424 13.923 -2.164 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.916 15.354 -4.000 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.959 15.493 -2.539 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.030 16.288 -0.558 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.358 17.442 -0.724 1.00 0.00 H new ATOM 1290 N LEU A 77 9.079 10.752 -2.756 1.00 0.00 N ATOM 1291 CA LEU A 77 10.049 9.682 -2.557 1.00 0.00 C ATOM 1292 C LEU A 77 10.012 8.690 -3.712 1.00 0.00 C ATOM 1293 O LEU A 77 11.047 8.339 -4.279 1.00 0.00 O ATOM 1294 CB LEU A 77 9.780 8.958 -1.238 1.00 0.00 C ATOM 1295 CG LEU A 77 10.248 9.699 0.016 1.00 0.00 C ATOM 1296 CD1 LEU A 77 9.469 9.230 1.235 1.00 0.00 C ATOM 1297 CD2 LEU A 77 11.742 9.497 0.224 1.00 0.00 C ATOM 0 H LEU A 77 8.188 10.607 -2.281 1.00 0.00 H new ATOM 0 HA LEU A 77 11.042 10.131 -2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.709 8.774 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.269 7.984 -1.270 1.00 0.00 H new ATOM 0 HG LEU A 77 10.060 10.764 -0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.816 9.768 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.407 9.425 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.625 8.161 1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.060 10.030 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.953 8.434 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.285 9.882 -0.639 1.00 0.00 H new ATOM 1309 N THR A 78 8.813 8.240 -4.051 1.00 0.00 N ATOM 1310 CA THR A 78 8.630 7.284 -5.139 1.00 0.00 C ATOM 1311 C THR A 78 8.995 7.910 -6.485 1.00 0.00 C ATOM 1312 O THR A 78 8.299 8.802 -6.968 1.00 0.00 O ATOM 1313 CB THR A 78 7.183 6.789 -5.170 1.00 0.00 C ATOM 1314 OG1 THR A 78 6.286 7.876 -5.309 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.788 6.022 -3.927 1.00 0.00 C ATOM 0 H THR A 78 7.948 8.521 -3.588 1.00 0.00 H new ATOM 0 HA THR A 78 9.294 6.438 -4.961 1.00 0.00 H new ATOM 0 HB THR A 78 7.124 6.117 -6.026 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.879 8.078 -4.441 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.750 5.699 -4.013 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.432 5.149 -3.818 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.897 6.664 -3.053 1.00 0.00 H new ATOM 1323 N PRO A 79 10.094 7.451 -7.112 1.00 0.00 N ATOM 1324 CA PRO A 79 10.538 7.977 -8.407 1.00 0.00 C ATOM 1325 C PRO A 79 9.673 7.483 -9.562 1.00 0.00 C ATOM 1326 O PRO A 79 8.604 6.911 -9.349 1.00 0.00 O ATOM 1327 CB PRO A 79 11.961 7.435 -8.534 1.00 0.00 C ATOM 1328 CG PRO A 79 11.949 6.168 -7.754 1.00 0.00 C ATOM 1329 CD PRO A 79 10.990 6.388 -6.614 1.00 0.00 C ATOM 0 HA PRO A 79 10.474 9.064 -8.452 1.00 0.00 H new ATOM 0 HB2 PRO A 79 12.226 7.257 -9.576 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.691 8.139 -8.135 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.630 5.331 -8.375 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.946 5.929 -7.384 1.00 0.00 H new ATOM 0 HD2 PRO A 79 10.438 5.479 -6.373 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.510 6.695 -5.707 1.00 0.00 H new ATOM 1337 N ARG A 80 10.142 7.708 -10.784 1.00 0.00 N ATOM 1338 CA ARG A 80 9.410 7.284 -11.973 1.00 0.00 C ATOM 1339 C ARG A 80 10.363 7.022 -13.134 1.00 0.00 C ATOM 1340 O ARG A 80 11.503 7.489 -13.133 1.00 0.00 O ATOM 1341 CB ARG A 80 8.383 8.348 -12.371 1.00 0.00 C ATOM 1342 CG ARG A 80 8.997 9.705 -12.672 1.00 0.00 C ATOM 1343 CD ARG A 80 8.326 10.813 -11.879 1.00 0.00 C ATOM 1344 NE ARG A 80 8.183 12.039 -12.661 1.00 0.00 N ATOM 1345 CZ ARG A 80 7.231 12.229 -13.572 1.00 0.00 C ATOM 1346 NH1 ARG A 80 6.338 11.277 -13.820 1.00 0.00 N ATOM 1347 NH2 ARG A 80 7.171 13.374 -14.238 1.00 0.00 N ATOM 0 H ARG A 80 11.025 8.181 -10.978 1.00 0.00 H new ATOM 0 HA ARG A 80 8.890 6.356 -11.737 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.837 8.003 -13.249 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.656 8.458 -11.566 1.00 0.00 H new ATOM 0 HG2 ARG A 80 10.061 9.683 -12.438 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.909 9.916 -13.738 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.343 10.478 -11.548 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.910 11.021 -10.982 1.00 0.00 H new ATOM 0 HE ARG A 80 8.851 12.793 -12.500 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.379 10.394 -13.311 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.611 11.429 -14.519 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.854 14.108 -14.052 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.442 13.520 -14.936 1.00 0.00 H new TER 1361 ARG A 80