USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 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 3 THR OG1 : rot -134:sc= 1.25 USER MOD Set 1.2: A 82 SER OG : rot -53:sc= 0.977 USER MOD Single : A 1 THR N :NH3+ -151:sc= -3.93! (180deg=-4.37!) USER MOD Single : A 1 THR OG1 : rot -39:sc= 1.12 USER MOD Single : A 5 ASN : amide:sc=-0.000109 X(o=-0.00011,f=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -2.52! C(o=-3.1!,f=-2.5!) USER MOD Single : A 10 HIS : no HD1:sc= -0.594 X(o=-0.59,f=-0.3) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -1.01 K(o=-1,f=-3.7!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc=-0.000597 K(o=-0.0006,f=-0.81) USER MOD Single : A 29 TYR OH : rot 18:sc= 0.165 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -124:sc= -0.0127 (180deg=-0.372) USER MOD Single : A 53 GLN : amide:sc= -1.61 X(o=-1.6,f=-2!) USER MOD Single : A 55 ASN : amide:sc= -3.36! C(o=-3.4!,f=-4.8!) USER MOD Single : A 58 ASN : amide:sc= -1.61! C(o=-1.6!,f=-6.7!) USER MOD Single : A 61 ASN : amide:sc= -0.431 K(o=-0.43,f=-3.1!) USER MOD Single : A 62 MET CE :methyl -177:sc= -9.87! (180deg=-9.98!) USER MOD Single : A 63 SER OG : rot -67:sc= 0.775 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0.022) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.042 X(o=-0.042,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 163:sc= -0.033 USER MOD Single : A 87 LYS NZ :NH3+ -145:sc= -2.88! (180deg=-5.7!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 7.654 -4.938 -0.141 1.00 0.00 N ATOM 2 CA THR A 1 8.211 -4.228 -1.279 1.00 0.00 C ATOM 3 C THR A 1 7.662 -4.801 -2.588 1.00 0.00 C ATOM 4 O THR A 1 8.254 -4.613 -3.649 1.00 0.00 O ATOM 5 CB THR A 1 9.737 -4.297 -1.179 1.00 0.00 C ATOM 6 OG1 THR A 1 10.192 -3.490 -2.261 1.00 0.00 O ATOM 7 CG2 THR A 1 10.282 -5.690 -1.497 1.00 0.00 C ATOM 0 H1 THR A 1 7.611 -4.300 0.679 1.00 0.00 H new ATOM 0 H2 THR A 1 6.696 -5.269 -0.373 1.00 0.00 H new ATOM 0 H3 THR A 1 8.256 -5.755 0.087 1.00 0.00 H new ATOM 0 HA THR A 1 7.917 -3.179 -1.272 1.00 0.00 H new ATOM 0 HB THR A 1 10.049 -4.006 -0.176 1.00 0.00 H new ATOM 0 HG1 THR A 1 9.619 -3.637 -3.042 1.00 0.00 H new ATOM 0 HG21 THR A 1 11.369 -5.684 -1.412 1.00 0.00 H new ATOM 0 HG22 THR A 1 9.867 -6.412 -0.794 1.00 0.00 H new ATOM 0 HG23 THR A 1 10.000 -5.968 -2.512 1.00 0.00 H new ATOM 15 N VAL A 2 6.538 -5.492 -2.467 1.00 0.00 N ATOM 16 CA VAL A 2 5.902 -6.094 -3.626 1.00 0.00 C ATOM 17 C VAL A 2 5.673 -5.022 -4.692 1.00 0.00 C ATOM 18 O VAL A 2 4.972 -4.041 -4.450 1.00 0.00 O ATOM 19 CB VAL A 2 4.614 -6.805 -3.206 1.00 0.00 C ATOM 20 CG1 VAL A 2 3.995 -7.559 -4.384 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.865 -7.744 -2.024 1.00 0.00 C ATOM 0 H VAL A 2 6.052 -5.648 -1.584 1.00 0.00 H new ATOM 0 HA VAL A 2 6.549 -6.854 -4.064 1.00 0.00 H new ATOM 0 HB VAL A 2 3.902 -6.045 -2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.081 -8.055 -4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.761 -6.856 -5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.701 -8.304 -4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.933 -8.236 -1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.602 -8.496 -2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.239 -7.170 -1.176 1.00 0.00 H new ATOM 31 N THR A 3 6.278 -5.244 -5.850 1.00 0.00 N ATOM 32 CA THR A 3 6.149 -4.309 -6.954 1.00 0.00 C ATOM 33 C THR A 3 5.761 -5.047 -8.236 1.00 0.00 C ATOM 34 O THR A 3 6.582 -5.751 -8.825 1.00 0.00 O ATOM 35 CB THR A 3 7.463 -3.534 -7.073 1.00 0.00 C ATOM 36 OG1 THR A 3 7.346 -2.500 -6.100 1.00 0.00 O ATOM 37 CG2 THR A 3 7.581 -2.783 -8.402 1.00 0.00 C ATOM 0 H THR A 3 6.859 -6.059 -6.047 1.00 0.00 H new ATOM 0 HA THR A 3 5.347 -3.593 -6.774 1.00 0.00 H new ATOM 0 HB THR A 3 8.301 -4.223 -6.969 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.621 -1.646 -6.495 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.531 -2.250 -8.435 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.535 -3.494 -9.227 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.761 -2.070 -8.491 1.00 0.00 H new ATOM 45 N LEU A 4 4.510 -4.864 -8.631 1.00 0.00 N ATOM 46 CA LEU A 4 4.002 -5.504 -9.833 1.00 0.00 C ATOM 47 C LEU A 4 4.165 -4.553 -11.020 1.00 0.00 C ATOM 48 O LEU A 4 3.235 -3.827 -11.369 1.00 0.00 O ATOM 49 CB LEU A 4 2.565 -5.983 -9.620 1.00 0.00 C ATOM 50 CG LEU A 4 1.729 -5.172 -8.626 1.00 0.00 C ATOM 51 CD1 LEU A 4 0.240 -5.261 -8.962 1.00 0.00 C ATOM 52 CD2 LEU A 4 2.019 -5.605 -7.187 1.00 0.00 C ATOM 0 H LEU A 4 3.832 -4.281 -8.140 1.00 0.00 H new ATOM 0 HA LEU A 4 4.580 -6.400 -10.061 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.055 -5.978 -10.583 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.594 -7.018 -9.280 1.00 0.00 H new ATOM 0 HG LEU A 4 2.016 -4.124 -8.712 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.331 -4.676 -8.241 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.069 -4.868 -9.964 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.081 -6.302 -8.921 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.413 -5.014 -6.500 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.776 -6.661 -7.069 1.00 0.00 H new ATOM 0 HD23 LEU A 4 3.075 -5.449 -6.966 1.00 0.00 H new ATOM 63 N ASN A 5 5.351 -4.587 -11.608 1.00 0.00 N ATOM 64 CA ASN A 5 5.646 -3.736 -12.749 1.00 0.00 C ATOM 65 C ASN A 5 4.646 -4.027 -13.869 1.00 0.00 C ATOM 66 O ASN A 5 3.773 -4.881 -13.721 1.00 0.00 O ATOM 67 CB ASN A 5 7.052 -4.006 -13.287 1.00 0.00 C ATOM 68 CG ASN A 5 8.014 -2.880 -12.900 1.00 0.00 C ATOM 69 OD1 ASN A 5 7.904 -1.752 -13.351 1.00 0.00 O ATOM 70 ND2 ASN A 5 8.961 -3.250 -12.041 1.00 0.00 N ATOM 0 H ASN A 5 6.120 -5.191 -11.316 1.00 0.00 H new ATOM 0 HA ASN A 5 5.578 -2.698 -12.423 1.00 0.00 H new ATOM 0 HB2 ASN A 5 7.420 -4.954 -12.894 1.00 0.00 H new ATOM 0 HB3 ASN A 5 7.018 -4.103 -14.372 1.00 0.00 H new ATOM 0 HD21 ASN A 5 9.652 -2.572 -11.721 1.00 0.00 H new ATOM 0 HD22 ASN A 5 8.995 -4.212 -11.703 1.00 0.00 H new ATOM 76 N MET A 6 4.807 -3.301 -14.965 1.00 0.00 N ATOM 77 CA MET A 6 3.929 -3.471 -16.110 1.00 0.00 C ATOM 78 C MET A 6 2.548 -2.872 -15.837 1.00 0.00 C ATOM 79 O MET A 6 1.849 -3.307 -14.923 1.00 0.00 O ATOM 80 CB MET A 6 3.785 -4.961 -16.427 1.00 0.00 C ATOM 81 CG MET A 6 3.371 -5.174 -17.885 1.00 0.00 C ATOM 82 SD MET A 6 2.481 -6.713 -18.048 1.00 0.00 S ATOM 83 CE MET A 6 3.336 -7.418 -19.447 1.00 0.00 C ATOM 0 H MET A 6 5.532 -2.594 -15.085 1.00 0.00 H new ATOM 0 HA MET A 6 4.369 -2.950 -16.961 1.00 0.00 H new ATOM 0 HB2 MET A 6 4.730 -5.470 -16.235 1.00 0.00 H new ATOM 0 HB3 MET A 6 3.042 -5.407 -15.765 1.00 0.00 H new ATOM 0 HG2 MET A 6 2.746 -4.346 -18.219 1.00 0.00 H new ATOM 0 HG3 MET A 6 4.254 -5.185 -18.524 1.00 0.00 H new ATOM 0 HE1 MET A 6 2.904 -8.390 -19.686 1.00 0.00 H new ATOM 0 HE2 MET A 6 3.236 -6.755 -20.306 1.00 0.00 H new ATOM 0 HE3 MET A 6 4.392 -7.540 -19.204 1.00 0.00 H new ATOM 91 N GLU A 7 2.196 -1.883 -16.644 1.00 0.00 N ATOM 92 CA GLU A 7 0.911 -1.219 -16.500 1.00 0.00 C ATOM 93 C GLU A 7 0.899 -0.354 -15.239 1.00 0.00 C ATOM 94 O GLU A 7 0.882 -0.876 -14.124 1.00 0.00 O ATOM 95 CB GLU A 7 -0.231 -2.237 -16.480 1.00 0.00 C ATOM 96 CG GLU A 7 -1.184 -2.014 -17.656 1.00 0.00 C ATOM 97 CD GLU A 7 -1.760 -3.342 -18.153 1.00 0.00 C ATOM 98 OE1 GLU A 7 -1.007 -4.201 -18.637 1.00 0.00 O ATOM 99 OE2 GLU A 7 -3.037 -3.465 -18.022 1.00 0.00 O ATOM 0 H GLU A 7 2.778 -1.525 -17.401 1.00 0.00 H new ATOM 0 HA GLU A 7 0.760 -0.569 -17.362 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.176 -3.247 -16.524 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.780 -2.155 -15.542 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.995 -1.353 -17.351 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -0.655 -1.516 -18.468 1.00 0.00 H new ATOM 105 N ARG A 8 0.910 0.953 -15.455 1.00 0.00 N ATOM 106 CA ARG A 8 0.899 1.894 -14.348 1.00 0.00 C ATOM 107 C ARG A 8 -0.304 2.833 -14.462 1.00 0.00 C ATOM 108 O ARG A 8 -0.139 4.046 -14.593 1.00 0.00 O ATOM 109 CB ARG A 8 2.184 2.725 -14.320 1.00 0.00 C ATOM 110 CG ARG A 8 2.300 3.597 -15.571 1.00 0.00 C ATOM 111 CD ARG A 8 2.636 5.044 -15.200 1.00 0.00 C ATOM 112 NE ARG A 8 3.248 5.734 -16.358 1.00 0.00 N ATOM 113 CZ ARG A 8 2.568 6.106 -17.464 1.00 0.00 C ATOM 114 NH1 ARG A 8 1.246 5.856 -17.571 1.00 0.00 N ATOM 115 NH2 ARG A 8 3.216 6.717 -18.438 1.00 0.00 N ATOM 0 H ARG A 8 0.926 1.383 -16.380 1.00 0.00 H new ATOM 0 HA ARG A 8 0.830 1.319 -13.424 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.194 3.355 -13.431 1.00 0.00 H new ATOM 0 HB3 ARG A 8 3.048 2.064 -14.252 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.073 3.197 -16.227 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.363 3.568 -16.127 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.732 5.568 -14.890 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.321 5.061 -14.352 1.00 0.00 H new ATOM 0 HE ARG A 8 4.246 5.941 -16.318 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.753 5.383 -16.813 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.739 6.140 -18.410 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.215 6.902 -18.349 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.718 7.005 -19.280 1.00 0.00 H new ATOM 125 N HIS A 9 -1.486 2.239 -14.405 1.00 0.00 N ATOM 126 CA HIS A 9 -2.716 3.006 -14.500 1.00 0.00 C ATOM 127 C HIS A 9 -3.914 2.056 -14.529 1.00 0.00 C ATOM 128 O HIS A 9 -4.194 1.433 -15.552 1.00 0.00 O ATOM 129 CB HIS A 9 -2.677 3.947 -15.706 1.00 0.00 C ATOM 130 CG HIS A 9 -2.254 5.358 -15.371 1.00 0.00 C ATOM 131 ND1 HIS A 9 -2.163 6.000 -14.171 1.00 0.00 N flip ATOM 132 CD2 HIS A 9 -1.867 6.273 -16.334 1.00 0.00 C flip ATOM 133 CE1 HIS A 9 -1.742 7.240 -14.389 1.00 0.00 C flip ATOM 134 NE2 HIS A 9 -1.559 7.411 -15.730 1.00 0.00 N flip ATOM 0 H HIS A 9 -1.618 1.234 -14.294 1.00 0.00 H new ATOM 0 HA HIS A 9 -2.821 3.640 -13.620 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -1.992 3.540 -16.449 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -3.665 3.974 -16.165 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -1.823 6.090 -17.398 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -1.572 7.990 -13.630 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -1.241 8.265 -16.187 1.00 0.00 H new ATOM 141 N HIS A 10 -4.590 1.973 -13.392 1.00 0.00 N ATOM 142 CA HIS A 10 -5.752 1.108 -13.274 1.00 0.00 C ATOM 143 C HIS A 10 -6.367 1.264 -11.881 1.00 0.00 C ATOM 144 O HIS A 10 -5.762 1.865 -10.994 1.00 0.00 O ATOM 145 CB HIS A 10 -5.387 -0.341 -13.602 1.00 0.00 C ATOM 146 CG HIS A 10 -6.284 -0.981 -14.633 1.00 0.00 C ATOM 147 ND1 HIS A 10 -6.303 -2.345 -14.867 1.00 0.00 N ATOM 148 CD2 HIS A 10 -7.192 -0.430 -15.490 1.00 0.00 C ATOM 149 CE1 HIS A 10 -7.187 -2.593 -15.824 1.00 0.00 C ATOM 150 NE2 HIS A 10 -7.736 -1.405 -16.208 1.00 0.00 N ATOM 0 H HIS A 10 -4.355 2.490 -12.545 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.507 1.405 -14.003 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.358 -0.374 -13.960 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.425 -0.931 -12.686 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.428 0.621 -15.570 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.430 -3.565 -16.228 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.448 -1.285 -16.929 1.00 0.00 H new ATOM 157 N PHE A 11 -7.561 0.710 -11.732 1.00 0.00 N ATOM 158 CA PHE A 11 -8.265 0.779 -10.462 1.00 0.00 C ATOM 159 C PHE A 11 -7.407 0.214 -9.329 1.00 0.00 C ATOM 160 O PHE A 11 -6.280 -0.223 -9.557 1.00 0.00 O ATOM 161 CB PHE A 11 -9.527 -0.073 -10.604 1.00 0.00 C ATOM 162 CG PHE A 11 -10.770 0.720 -11.016 1.00 0.00 C ATOM 163 CD1 PHE A 11 -10.776 1.416 -12.184 1.00 0.00 C ATOM 164 CD2 PHE A 11 -11.868 0.727 -10.214 1.00 0.00 C ATOM 165 CE1 PHE A 11 -11.929 2.151 -12.566 1.00 0.00 C ATOM 166 CE2 PHE A 11 -13.021 1.462 -10.596 1.00 0.00 C ATOM 167 CZ PHE A 11 -13.028 2.159 -11.764 1.00 0.00 C ATOM 0 H PHE A 11 -8.059 0.211 -12.469 1.00 0.00 H new ATOM 0 HA PHE A 11 -8.499 1.816 -10.222 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -9.345 -0.853 -11.343 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.725 -0.572 -9.655 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.904 1.410 -12.821 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.863 0.174 -9.287 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -11.934 2.704 -13.494 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.893 1.468 -9.959 1.00 0.00 H new ATOM 0 HZ PHE A 11 -13.905 2.718 -12.054 1.00 0.00 H new ATOM 176 N LEU A 12 -7.973 0.241 -8.131 1.00 0.00 N ATOM 177 CA LEU A 12 -7.275 -0.263 -6.961 1.00 0.00 C ATOM 178 C LEU A 12 -8.294 -0.608 -5.873 1.00 0.00 C ATOM 179 O LEU A 12 -8.436 -1.770 -5.495 1.00 0.00 O ATOM 180 CB LEU A 12 -6.203 0.730 -6.508 1.00 0.00 C ATOM 181 CG LEU A 12 -4.764 0.211 -6.508 1.00 0.00 C ATOM 182 CD1 LEU A 12 -3.834 1.173 -7.251 1.00 0.00 C ATOM 183 CD2 LEU A 12 -4.281 -0.068 -5.084 1.00 0.00 C ATOM 0 H LEU A 12 -8.908 0.604 -7.946 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.743 -1.183 -7.202 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.252 1.607 -7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.448 1.063 -5.500 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.743 -0.737 -7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.817 0.780 -7.236 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.168 1.277 -8.283 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.854 2.148 -6.763 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.255 -0.436 -5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.320 0.851 -4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.923 -0.819 -4.623 1.00 0.00 H new ATOM 194 N GLY A 13 -8.977 0.424 -5.399 1.00 0.00 N ATOM 195 CA GLY A 13 -9.979 0.244 -4.362 1.00 0.00 C ATOM 196 C GLY A 13 -9.343 -0.273 -3.069 1.00 0.00 C ATOM 197 O GLY A 13 -9.678 -1.360 -2.601 1.00 0.00 O ATOM 0 H GLY A 13 -8.856 1.387 -5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.483 1.191 -4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.739 -0.458 -4.704 1.00 0.00 H new ATOM 201 N ILE A 14 -8.437 0.530 -2.530 1.00 0.00 N ATOM 202 CA ILE A 14 -7.752 0.167 -1.301 1.00 0.00 C ATOM 203 C ILE A 14 -8.013 1.238 -0.241 1.00 0.00 C ATOM 204 O ILE A 14 -8.622 2.267 -0.530 1.00 0.00 O ATOM 205 CB ILE A 14 -6.267 -0.084 -1.570 1.00 0.00 C ATOM 206 CG1 ILE A 14 -5.714 0.926 -2.578 1.00 0.00 C ATOM 207 CG2 ILE A 14 -6.026 -1.527 -2.015 1.00 0.00 C ATOM 208 CD1 ILE A 14 -5.768 2.348 -2.014 1.00 0.00 C ATOM 0 H ILE A 14 -8.162 1.431 -2.922 1.00 0.00 H new ATOM 0 HA ILE A 14 -8.144 -0.771 -0.909 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.722 0.060 -0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.685 0.669 -2.829 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.289 0.875 -3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.962 -1.678 -2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -6.359 -2.209 -1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.584 -1.724 -2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.369 3.047 -2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.801 2.610 -1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.172 2.401 -1.103 1.00 0.00 H new ATOM 219 N SER A 15 -7.540 0.960 0.965 1.00 0.00 N ATOM 220 CA SER A 15 -7.714 1.887 2.070 1.00 0.00 C ATOM 221 C SER A 15 -6.559 1.742 3.062 1.00 0.00 C ATOM 222 O SER A 15 -5.955 0.676 3.165 1.00 0.00 O ATOM 223 CB SER A 15 -9.051 1.657 2.776 1.00 0.00 C ATOM 224 OG SER A 15 -9.047 0.461 3.551 1.00 0.00 O ATOM 0 H SER A 15 -7.036 0.105 1.201 1.00 0.00 H new ATOM 0 HA SER A 15 -7.715 2.900 1.669 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.271 2.507 3.422 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.848 1.606 2.035 1.00 0.00 H new ATOM 0 HG SER A 15 -9.918 0.351 3.987 1.00 0.00 H new ATOM 229 N ILE A 16 -6.285 2.832 3.765 1.00 0.00 N ATOM 230 CA ILE A 16 -5.212 2.840 4.745 1.00 0.00 C ATOM 231 C ILE A 16 -5.807 3.012 6.144 1.00 0.00 C ATOM 232 O ILE A 16 -7.001 3.270 6.288 1.00 0.00 O ATOM 233 CB ILE A 16 -4.167 3.897 4.386 1.00 0.00 C ATOM 234 CG1 ILE A 16 -4.780 5.300 4.397 1.00 0.00 C ATOM 235 CG2 ILE A 16 -3.496 3.575 3.049 1.00 0.00 C ATOM 236 CD1 ILE A 16 -4.189 6.148 5.524 1.00 0.00 C ATOM 0 H ILE A 16 -6.787 3.715 3.675 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.682 1.887 4.739 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.388 3.879 5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.600 5.787 3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.861 5.228 4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.758 4.343 2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.003 2.605 3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.249 3.547 2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.642 7.139 5.509 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.392 5.671 6.483 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.112 6.239 5.384 1.00 0.00 H new ATOM 247 N VAL A 17 -4.946 2.863 7.141 1.00 0.00 N ATOM 248 CA VAL A 17 -5.371 2.999 8.523 1.00 0.00 C ATOM 249 C VAL A 17 -4.142 3.193 9.413 1.00 0.00 C ATOM 250 O VAL A 17 -3.010 3.038 8.958 1.00 0.00 O ATOM 251 CB VAL A 17 -6.219 1.792 8.931 1.00 0.00 C ATOM 252 CG1 VAL A 17 -5.435 0.489 8.765 1.00 0.00 C ATOM 253 CG2 VAL A 17 -6.736 1.945 10.364 1.00 0.00 C ATOM 0 H VAL A 17 -3.956 2.649 7.018 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.002 3.879 8.643 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.082 1.748 8.267 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.061 -0.353 9.062 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.140 0.372 7.722 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.544 0.518 9.393 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.336 1.074 10.629 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.892 2.027 11.049 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.349 2.843 10.436 1.00 0.00 H new ATOM 263 N GLY A 18 -4.406 3.531 10.666 1.00 0.00 N ATOM 264 CA GLY A 18 -3.335 3.748 11.624 1.00 0.00 C ATOM 265 C GLY A 18 -3.662 3.095 12.970 1.00 0.00 C ATOM 266 O GLY A 18 -4.420 2.128 13.027 1.00 0.00 O ATOM 0 H GLY A 18 -5.346 3.660 11.040 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.404 3.337 11.233 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.178 4.818 11.763 1.00 0.00 H new ATOM 270 N GLN A 19 -3.074 3.651 14.020 1.00 0.00 N ATOM 271 CA GLN A 19 -3.293 3.135 15.360 1.00 0.00 C ATOM 272 C GLN A 19 -2.482 3.940 16.377 1.00 0.00 C ATOM 273 O GLN A 19 -3.047 4.561 17.275 1.00 0.00 O ATOM 274 CB GLN A 19 -2.948 1.646 15.437 1.00 0.00 C ATOM 275 CG GLN A 19 -4.109 0.845 16.031 1.00 0.00 C ATOM 276 CD GLN A 19 -3.734 0.267 17.396 1.00 0.00 C ATOM 277 OE1 GLN A 19 -2.782 0.683 18.036 1.00 0.00 O ATOM 278 NE2 GLN A 19 -4.531 -0.715 17.806 1.00 0.00 N ATOM 0 H GLN A 19 -2.446 4.453 13.969 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.350 3.242 15.602 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.715 1.271 14.441 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.055 1.507 16.047 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.984 1.487 16.132 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.383 0.037 15.353 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.311 -1.016 17.222 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.362 -1.167 18.705 1.00 0.00 H new ATOM 285 N SER A 20 -1.169 3.902 16.202 1.00 0.00 N ATOM 286 CA SER A 20 -0.274 4.619 17.094 1.00 0.00 C ATOM 287 C SER A 20 -0.444 4.110 18.527 1.00 0.00 C ATOM 288 O SER A 20 -1.397 3.393 18.826 1.00 0.00 O ATOM 289 CB SER A 20 -0.528 6.127 17.033 1.00 0.00 C ATOM 290 OG SER A 20 0.114 6.731 15.913 1.00 0.00 O ATOM 0 H SER A 20 -0.704 3.386 15.455 1.00 0.00 H new ATOM 0 HA SER A 20 0.751 4.436 16.770 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.601 6.312 16.979 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.170 6.593 17.951 1.00 0.00 H new ATOM 0 HG SER A 20 -0.073 7.693 15.908 1.00 0.00 H new ATOM 295 N ASN A 21 0.496 4.501 19.375 1.00 0.00 N ATOM 296 CA ASN A 21 0.463 4.093 20.769 1.00 0.00 C ATOM 297 C ASN A 21 0.998 2.664 20.891 1.00 0.00 C ATOM 298 O ASN A 21 1.944 2.414 21.636 1.00 0.00 O ATOM 299 CB ASN A 21 -0.967 4.110 21.315 1.00 0.00 C ATOM 300 CG ASN A 21 -0.981 4.454 22.805 1.00 0.00 C ATOM 301 OD1 ASN A 21 0.009 4.328 23.507 1.00 0.00 O ATOM 302 ND2 ASN A 21 -2.156 4.893 23.247 1.00 0.00 N ATOM 0 H ASN A 21 1.285 5.096 19.123 1.00 0.00 H new ATOM 0 HA ASN A 21 1.075 4.792 21.339 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.562 4.839 20.764 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.431 3.136 21.159 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.269 5.148 24.228 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.944 4.974 22.605 1.00 0.00 H new ATOM 308 N ASP A 22 0.368 1.765 20.149 1.00 0.00 N ATOM 309 CA ASP A 22 0.769 0.369 20.164 1.00 0.00 C ATOM 310 C ASP A 22 2.297 0.282 20.178 1.00 0.00 C ATOM 311 O ASP A 22 2.947 0.553 19.169 1.00 0.00 O ATOM 312 CB ASP A 22 0.264 -0.363 18.919 1.00 0.00 C ATOM 313 CG ASP A 22 -0.049 -1.846 19.122 1.00 0.00 C ATOM 314 OD1 ASP A 22 -0.448 -2.270 20.217 1.00 0.00 O ATOM 315 OD2 ASP A 22 0.136 -2.590 18.085 1.00 0.00 O ATOM 0 H ASP A 22 -0.417 1.977 19.534 1.00 0.00 H new ATOM 0 HA ASP A 22 0.341 -0.095 21.053 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.636 0.137 18.562 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.013 -0.270 18.133 1.00 0.00 H new ATOM 320 N ARG A 23 2.825 -0.100 21.331 1.00 0.00 N ATOM 321 CA ARG A 23 4.264 -0.227 21.489 1.00 0.00 C ATOM 322 C ARG A 23 4.860 -1.009 20.316 1.00 0.00 C ATOM 323 O ARG A 23 4.300 -2.016 19.889 1.00 0.00 O ATOM 324 CB ARG A 23 4.614 -0.938 22.798 1.00 0.00 C ATOM 325 CG ARG A 23 5.173 0.048 23.826 1.00 0.00 C ATOM 326 CD ARG A 23 5.810 -0.691 25.004 1.00 0.00 C ATOM 327 NE ARG A 23 4.815 -0.877 26.083 1.00 0.00 N ATOM 328 CZ ARG A 23 5.131 -1.168 27.363 1.00 0.00 C ATOM 329 NH1 ARG A 23 6.421 -1.307 27.734 1.00 0.00 N ATOM 330 NH2 ARG A 23 4.160 -1.313 28.245 1.00 0.00 N ATOM 0 H ARG A 23 2.283 -0.326 22.165 1.00 0.00 H new ATOM 0 HA ARG A 23 4.685 0.778 21.511 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.725 -1.424 23.201 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.346 -1.722 22.605 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.914 0.692 23.352 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.373 0.695 24.187 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.187 -1.659 24.675 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.664 -0.127 25.379 1.00 0.00 H new ATOM 0 HE ARG A 23 3.828 -0.779 25.845 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.165 -1.192 27.046 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.652 -1.527 28.703 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.188 -1.205 27.956 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.382 -1.533 29.216 1.00 0.00 H new ATOM 340 N GLY A 24 5.988 -0.513 19.829 1.00 0.00 N ATOM 341 CA GLY A 24 6.665 -1.153 18.714 1.00 0.00 C ATOM 342 C GLY A 24 5.658 -1.714 17.709 1.00 0.00 C ATOM 343 O GLY A 24 5.504 -2.929 17.590 1.00 0.00 O ATOM 0 H GLY A 24 6.450 0.324 20.186 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.316 -0.433 18.218 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.301 -1.957 19.084 1.00 0.00 H new ATOM 347 N ASP A 25 4.997 -0.802 17.010 1.00 0.00 N ATOM 348 CA ASP A 25 4.009 -1.191 16.019 1.00 0.00 C ATOM 349 C ASP A 25 3.262 0.053 15.534 1.00 0.00 C ATOM 350 O ASP A 25 2.267 0.456 16.134 1.00 0.00 O ATOM 351 CB ASP A 25 2.982 -2.157 16.614 1.00 0.00 C ATOM 352 CG ASP A 25 1.744 -2.398 15.749 1.00 0.00 C ATOM 353 OD1 ASP A 25 1.140 -1.453 15.220 1.00 0.00 O ATOM 354 OD2 ASP A 25 1.398 -3.634 15.624 1.00 0.00 O ATOM 0 H ASP A 25 5.127 0.205 17.111 1.00 0.00 H new ATOM 0 HA ASP A 25 4.531 -1.681 15.197 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.470 -3.114 16.798 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.661 -1.772 17.582 1.00 0.00 H new ATOM 359 N GLY A 26 3.771 0.627 14.454 1.00 0.00 N ATOM 360 CA GLY A 26 3.165 1.818 13.882 1.00 0.00 C ATOM 361 C GLY A 26 3.138 1.740 12.355 1.00 0.00 C ATOM 362 O GLY A 26 2.890 0.677 11.788 1.00 0.00 O ATOM 0 H GLY A 26 4.597 0.289 13.959 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.150 1.932 14.262 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.723 2.700 14.195 1.00 0.00 H new ATOM 366 N GLY A 27 3.399 2.880 11.731 1.00 0.00 N ATOM 367 CA GLY A 27 3.408 2.954 10.281 1.00 0.00 C ATOM 368 C GLY A 27 2.050 2.552 9.702 1.00 0.00 C ATOM 369 O GLY A 27 1.662 1.386 9.772 1.00 0.00 O ATOM 0 H GLY A 27 3.606 3.760 12.204 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.655 3.968 9.967 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.184 2.299 9.885 1.00 0.00 H new ATOM 373 N ILE A 28 1.365 3.538 9.144 1.00 0.00 N ATOM 374 CA ILE A 28 0.059 3.302 8.553 1.00 0.00 C ATOM 375 C ILE A 28 0.106 2.022 7.718 1.00 0.00 C ATOM 376 O ILE A 28 1.077 1.779 7.003 1.00 0.00 O ATOM 377 CB ILE A 28 -0.406 4.532 7.770 1.00 0.00 C ATOM 378 CG1 ILE A 28 -0.477 5.763 8.675 1.00 0.00 C ATOM 379 CG2 ILE A 28 -1.736 4.261 7.064 1.00 0.00 C ATOM 380 CD1 ILE A 28 -1.295 5.472 9.935 1.00 0.00 C ATOM 0 H ILE A 28 1.690 4.503 9.088 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.689 3.148 9.331 1.00 0.00 H new ATOM 0 HB ILE A 28 0.332 4.744 6.996 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.530 6.072 8.955 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.925 6.594 8.130 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.044 5.151 6.515 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.617 3.429 6.370 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.496 4.010 7.804 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.329 6.364 10.561 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.309 5.187 9.653 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.830 4.657 10.490 1.00 0.00 H new ATOM 391 N TYR A 29 -0.955 1.238 7.834 1.00 0.00 N ATOM 392 CA TYR A 29 -1.047 -0.012 7.097 1.00 0.00 C ATOM 393 C TYR A 29 -2.384 -0.117 6.361 1.00 0.00 C ATOM 394 O TYR A 29 -3.415 0.313 6.874 1.00 0.00 O ATOM 395 CB TYR A 29 -0.966 -1.125 8.144 1.00 0.00 C ATOM 396 CG TYR A 29 -2.045 -1.044 9.224 1.00 0.00 C ATOM 397 CD1 TYR A 29 -1.963 -0.081 10.211 1.00 0.00 C ATOM 398 CD2 TYR A 29 -3.101 -1.932 9.214 1.00 0.00 C ATOM 399 CE1 TYR A 29 -2.979 -0.004 11.228 1.00 0.00 C ATOM 400 CE2 TYR A 29 -4.117 -1.855 10.232 1.00 0.00 C ATOM 401 CZ TYR A 29 -4.006 -0.895 11.189 1.00 0.00 C ATOM 402 OH TYR A 29 -4.966 -0.822 12.150 1.00 0.00 O ATOM 0 H TYR A 29 -1.759 1.443 8.427 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.253 -0.079 6.353 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.042 -2.089 7.641 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.014 -1.091 8.621 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.137 0.614 10.220 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.166 -2.685 8.443 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.927 0.745 12.005 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.948 -2.544 10.235 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.930 0.057 12.582 1.00 0.00 H new ATOM 411 N ILE A 30 -2.323 -0.693 5.169 1.00 0.00 N ATOM 412 CA ILE A 30 -3.516 -0.860 4.357 1.00 0.00 C ATOM 413 C ILE A 30 -4.644 -1.423 5.225 1.00 0.00 C ATOM 414 O ILE A 30 -4.472 -2.447 5.885 1.00 0.00 O ATOM 415 CB ILE A 30 -3.209 -1.709 3.121 1.00 0.00 C ATOM 416 CG1 ILE A 30 -4.198 -1.412 1.992 1.00 0.00 C ATOM 417 CG2 ILE A 30 -3.172 -3.197 3.475 1.00 0.00 C ATOM 418 CD1 ILE A 30 -3.881 -0.072 1.325 1.00 0.00 C ATOM 0 H ILE A 30 -1.466 -1.050 4.746 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.856 0.103 3.977 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.217 -1.439 2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.159 -2.210 1.250 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.213 -1.394 2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.952 -3.779 2.580 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.398 -3.374 4.222 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.139 -3.500 3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.598 0.115 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.944 0.726 2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.874 -0.102 0.909 1.00 0.00 H new ATOM 429 N GLY A 31 -5.772 -0.731 5.195 1.00 0.00 N ATOM 430 CA GLY A 31 -6.928 -1.148 5.971 1.00 0.00 C ATOM 431 C GLY A 31 -7.449 -2.504 5.490 1.00 0.00 C ATOM 432 O GLY A 31 -7.827 -3.350 6.298 1.00 0.00 O ATOM 0 H GLY A 31 -5.911 0.117 4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.660 -1.210 7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.717 -0.400 5.886 1.00 0.00 H new ATOM 436 N SER A 32 -7.454 -2.668 4.175 1.00 0.00 N ATOM 437 CA SER A 32 -7.923 -3.906 3.577 1.00 0.00 C ATOM 438 C SER A 32 -7.812 -3.826 2.053 1.00 0.00 C ATOM 439 O SER A 32 -7.671 -2.740 1.494 1.00 0.00 O ATOM 440 CB SER A 32 -9.366 -4.205 3.989 1.00 0.00 C ATOM 441 OG SER A 32 -10.287 -3.279 3.419 1.00 0.00 O ATOM 0 H SER A 32 -7.141 -1.964 3.507 1.00 0.00 H new ATOM 0 HA SER A 32 -7.294 -4.720 3.939 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.630 -5.216 3.678 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.447 -4.174 5.076 1.00 0.00 H new ATOM 0 HG SER A 32 -11.197 -3.505 3.704 1.00 0.00 H new ATOM 446 N ILE A 33 -7.879 -4.991 1.425 1.00 0.00 N ATOM 447 CA ILE A 33 -7.789 -5.067 -0.023 1.00 0.00 C ATOM 448 C ILE A 33 -8.965 -5.882 -0.562 1.00 0.00 C ATOM 449 O ILE A 33 -9.134 -7.047 -0.204 1.00 0.00 O ATOM 450 CB ILE A 33 -6.421 -5.607 -0.446 1.00 0.00 C ATOM 451 CG1 ILE A 33 -5.304 -4.631 -0.068 1.00 0.00 C ATOM 452 CG2 ILE A 33 -6.404 -5.948 -1.938 1.00 0.00 C ATOM 453 CD1 ILE A 33 -4.976 -4.726 1.423 1.00 0.00 C ATOM 0 H ILE A 33 -7.995 -5.890 1.893 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.864 -4.072 -0.462 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.236 -6.533 0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.412 -4.849 -0.655 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.607 -3.613 -0.314 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.421 -6.330 -2.213 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.159 -6.706 -2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.620 -5.051 -2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.179 -4.023 1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.864 -4.484 2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.650 -5.739 1.660 1.00 0.00 H new ATOM 464 N MET A 34 -9.749 -5.238 -1.415 1.00 0.00 N ATOM 465 CA MET A 34 -10.905 -5.889 -2.006 1.00 0.00 C ATOM 466 C MET A 34 -10.485 -7.092 -2.852 1.00 0.00 C ATOM 467 O MET A 34 -10.309 -6.972 -4.064 1.00 0.00 O ATOM 468 CB MET A 34 -11.662 -4.888 -2.882 1.00 0.00 C ATOM 469 CG MET A 34 -12.487 -3.924 -2.026 1.00 0.00 C ATOM 470 SD MET A 34 -14.199 -3.971 -2.532 1.00 0.00 S ATOM 471 CE MET A 34 -14.717 -2.342 -2.020 1.00 0.00 C ATOM 0 H MET A 34 -9.606 -4.272 -1.710 1.00 0.00 H new ATOM 0 HA MET A 34 -11.550 -6.243 -1.201 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.955 -4.325 -3.491 1.00 0.00 H new ATOM 0 HB3 MET A 34 -12.318 -5.423 -3.568 1.00 0.00 H new ATOM 0 HG2 MET A 34 -12.403 -4.196 -0.974 1.00 0.00 H new ATOM 0 HG3 MET A 34 -12.097 -2.911 -2.126 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.770 -2.202 -2.263 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.576 -2.237 -0.944 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.122 -1.591 -2.540 1.00 0.00 H new ATOM 479 N LYS A 35 -10.334 -8.224 -2.181 1.00 0.00 N ATOM 480 CA LYS A 35 -9.937 -9.447 -2.855 1.00 0.00 C ATOM 481 C LYS A 35 -10.636 -9.525 -4.214 1.00 0.00 C ATOM 482 O LYS A 35 -11.841 -9.765 -4.283 1.00 0.00 O ATOM 483 CB LYS A 35 -10.194 -10.661 -1.960 1.00 0.00 C ATOM 484 CG LYS A 35 -9.362 -11.862 -2.412 1.00 0.00 C ATOM 485 CD LYS A 35 -9.441 -12.999 -1.391 1.00 0.00 C ATOM 486 CE LYS A 35 -9.865 -14.309 -2.060 1.00 0.00 C ATOM 487 NZ LYS A 35 -11.325 -14.318 -2.301 1.00 0.00 N ATOM 0 H LYS A 35 -10.480 -8.319 -1.176 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.864 -9.445 -3.047 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.950 -10.414 -0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.253 -10.918 -1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.719 -12.213 -3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.323 -11.560 -2.546 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.471 -13.129 -0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.153 -12.740 -0.607 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.334 -14.431 -3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.589 -15.153 -1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.596 -15.213 -2.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.827 -14.223 -1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.579 -13.524 -2.922 1.00 0.00 H new ATOM 496 N GLY A 36 -9.851 -9.320 -5.260 1.00 0.00 N ATOM 497 CA GLY A 36 -10.380 -9.364 -6.613 1.00 0.00 C ATOM 498 C GLY A 36 -10.338 -7.980 -7.264 1.00 0.00 C ATOM 499 O GLY A 36 -11.342 -7.270 -7.285 1.00 0.00 O ATOM 0 H GLY A 36 -8.852 -9.123 -5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.802 -10.068 -7.211 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.407 -9.730 -6.594 1.00 0.00 H new ATOM 503 N GLY A 37 -9.166 -7.639 -7.779 1.00 0.00 N ATOM 504 CA GLY A 37 -8.980 -6.352 -8.429 1.00 0.00 C ATOM 505 C GLY A 37 -7.564 -6.223 -8.994 1.00 0.00 C ATOM 506 O GLY A 37 -7.099 -7.099 -9.720 1.00 0.00 O ATOM 0 H GLY A 37 -8.336 -8.231 -7.760 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.708 -6.238 -9.232 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.165 -5.550 -7.715 1.00 0.00 H new ATOM 510 N ALA A 38 -6.918 -5.122 -8.638 1.00 0.00 N ATOM 511 CA ALA A 38 -5.564 -4.866 -9.100 1.00 0.00 C ATOM 512 C ALA A 38 -4.586 -5.734 -8.306 1.00 0.00 C ATOM 513 O ALA A 38 -4.244 -6.837 -8.730 1.00 0.00 O ATOM 514 CB ALA A 38 -5.255 -3.374 -8.973 1.00 0.00 C ATOM 0 H ALA A 38 -7.307 -4.397 -8.035 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.461 -5.132 -10.152 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.240 -3.182 -9.319 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.959 -2.804 -9.579 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.346 -3.071 -7.930 1.00 0.00 H new ATOM 520 N VAL A 39 -4.165 -5.204 -7.168 1.00 0.00 N ATOM 521 CA VAL A 39 -3.233 -5.916 -6.310 1.00 0.00 C ATOM 522 C VAL A 39 -3.980 -7.022 -5.560 1.00 0.00 C ATOM 523 O VAL A 39 -3.369 -7.986 -5.101 1.00 0.00 O ATOM 524 CB VAL A 39 -2.525 -4.933 -5.375 1.00 0.00 C ATOM 525 CG1 VAL A 39 -2.365 -5.527 -3.974 1.00 0.00 C ATOM 526 CG2 VAL A 39 -1.172 -4.509 -5.949 1.00 0.00 C ATOM 0 H VAL A 39 -4.452 -4.289 -6.819 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.455 -6.394 -6.906 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.147 -4.042 -5.291 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.859 -4.808 -3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.348 -5.755 -3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.774 -6.441 -4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.690 -3.810 -5.265 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.539 -5.387 -6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.322 -4.026 -6.915 1.00 0.00 H new ATOM 536 N ALA A 40 -5.288 -6.845 -5.461 1.00 0.00 N ATOM 537 CA ALA A 40 -6.125 -7.816 -4.775 1.00 0.00 C ATOM 538 C ALA A 40 -6.058 -9.153 -5.515 1.00 0.00 C ATOM 539 O ALA A 40 -5.915 -10.204 -4.892 1.00 0.00 O ATOM 540 CB ALA A 40 -7.553 -7.277 -4.672 1.00 0.00 C ATOM 0 H ALA A 40 -5.790 -6.044 -5.844 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.766 -7.983 -3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.180 -8.005 -4.158 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.549 -6.342 -4.113 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.948 -7.100 -5.672 1.00 0.00 H new ATOM 546 N ALA A 41 -6.163 -9.070 -6.832 1.00 0.00 N ATOM 547 CA ALA A 41 -6.116 -10.261 -7.664 1.00 0.00 C ATOM 548 C ALA A 41 -4.696 -10.830 -7.651 1.00 0.00 C ATOM 549 O ALA A 41 -4.498 -12.019 -7.898 1.00 0.00 O ATOM 550 CB ALA A 41 -6.594 -9.917 -9.075 1.00 0.00 C ATOM 0 H ALA A 41 -6.281 -8.196 -7.345 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.783 -11.030 -7.273 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.559 -10.810 -9.699 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.618 -9.545 -9.032 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.947 -9.151 -9.502 1.00 0.00 H new ATOM 556 N ASP A 42 -3.744 -9.956 -7.361 1.00 0.00 N ATOM 557 CA ASP A 42 -2.348 -10.357 -7.314 1.00 0.00 C ATOM 558 C ASP A 42 -2.204 -11.579 -6.406 1.00 0.00 C ATOM 559 O ASP A 42 -1.481 -12.518 -6.733 1.00 0.00 O ATOM 560 CB ASP A 42 -1.473 -9.239 -6.744 1.00 0.00 C ATOM 561 CG ASP A 42 0.000 -9.300 -7.151 1.00 0.00 C ATOM 562 OD1 ASP A 42 0.377 -10.033 -8.077 1.00 0.00 O ATOM 563 OD2 ASP A 42 0.789 -8.545 -6.462 1.00 0.00 O ATOM 0 H ASP A 42 -3.912 -8.971 -7.156 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.027 -10.583 -8.331 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.883 -8.280 -7.061 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.535 -9.268 -5.656 1.00 0.00 H new ATOM 568 N GLY A 43 -2.904 -11.527 -5.282 1.00 0.00 N ATOM 569 CA GLY A 43 -2.863 -12.619 -4.324 1.00 0.00 C ATOM 570 C GLY A 43 -3.840 -12.374 -3.171 1.00 0.00 C ATOM 571 O GLY A 43 -4.973 -11.948 -3.393 1.00 0.00 O ATOM 0 H GLY A 43 -3.503 -10.746 -5.013 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.112 -13.555 -4.824 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.852 -12.726 -3.932 1.00 0.00 H new ATOM 575 N ARG A 44 -3.367 -12.654 -1.966 1.00 0.00 N ATOM 576 CA ARG A 44 -4.185 -12.470 -0.779 1.00 0.00 C ATOM 577 C ARG A 44 -3.558 -11.418 0.138 1.00 0.00 C ATOM 578 O ARG A 44 -3.303 -11.686 1.312 1.00 0.00 O ATOM 579 CB ARG A 44 -4.340 -13.782 -0.009 1.00 0.00 C ATOM 580 CG ARG A 44 -5.435 -14.654 -0.624 1.00 0.00 C ATOM 581 CD ARG A 44 -6.565 -14.904 0.377 1.00 0.00 C ATOM 582 NE ARG A 44 -6.422 -16.250 0.975 1.00 0.00 N ATOM 583 CZ ARG A 44 -5.804 -16.495 2.151 1.00 0.00 C ATOM 584 NH1 ARG A 44 -5.265 -15.483 2.865 1.00 0.00 N ATOM 585 NH2 ARG A 44 -5.733 -17.737 2.591 1.00 0.00 N ATOM 0 H ARG A 44 -2.427 -13.007 -1.786 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.170 -12.134 -1.103 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.394 -14.324 -0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.582 -13.570 1.033 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.834 -14.168 -1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.010 -15.606 -0.943 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.544 -14.145 1.159 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.530 -14.820 -0.123 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.815 -17.043 0.467 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.323 -14.526 2.517 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.800 -15.676 3.752 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.141 -18.496 2.045 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.270 -17.938 3.477 1.00 0.00 H new ATOM 595 N ILE A 45 -3.330 -10.243 -0.431 1.00 0.00 N ATOM 596 CA ILE A 45 -2.739 -9.150 0.322 1.00 0.00 C ATOM 597 C ILE A 45 -3.370 -9.095 1.714 1.00 0.00 C ATOM 598 O ILE A 45 -4.420 -9.692 1.947 1.00 0.00 O ATOM 599 CB ILE A 45 -2.855 -7.839 -0.458 1.00 0.00 C ATOM 600 CG1 ILE A 45 -1.918 -7.836 -1.668 1.00 0.00 C ATOM 601 CG2 ILE A 45 -2.616 -6.635 0.454 1.00 0.00 C ATOM 602 CD1 ILE A 45 -0.517 -8.309 -1.278 1.00 0.00 C ATOM 0 H ILE A 45 -3.544 -10.024 -1.404 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.671 -9.318 0.463 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.873 -7.757 -0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.321 -8.484 -2.446 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.863 -6.831 -2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.704 -5.716 -0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.356 -6.632 1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.617 -6.698 0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.129 -8.297 -2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.107 -7.644 -0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.572 -9.323 -0.882 1.00 0.00 H new ATOM 613 N GLU A 46 -2.704 -8.373 2.604 1.00 0.00 N ATOM 614 CA GLU A 46 -3.187 -8.232 3.966 1.00 0.00 C ATOM 615 C GLU A 46 -3.183 -6.760 4.381 1.00 0.00 C ATOM 616 O GLU A 46 -2.542 -5.930 3.737 1.00 0.00 O ATOM 617 CB GLU A 46 -2.354 -9.076 4.933 1.00 0.00 C ATOM 618 CG GLU A 46 -2.657 -10.566 4.761 1.00 0.00 C ATOM 619 CD GLU A 46 -2.898 -11.236 6.115 1.00 0.00 C ATOM 620 OE1 GLU A 46 -4.038 -11.609 6.429 1.00 0.00 O ATOM 621 OE2 GLU A 46 -1.848 -11.367 6.853 1.00 0.00 O ATOM 0 H GLU A 46 -1.833 -7.879 2.407 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.213 -8.598 4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.293 -8.894 4.759 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.565 -8.774 5.959 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.535 -10.691 4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.825 -11.054 4.253 1.00 0.00 H new ATOM 627 N PRO A 47 -3.926 -6.471 5.484 1.00 0.00 N ATOM 628 CA PRO A 47 -4.014 -5.113 5.992 1.00 0.00 C ATOM 629 C PRO A 47 -2.725 -4.713 6.713 1.00 0.00 C ATOM 630 O PRO A 47 -2.287 -3.567 6.618 1.00 0.00 O ATOM 631 CB PRO A 47 -5.229 -5.112 6.905 1.00 0.00 C ATOM 632 CG PRO A 47 -5.500 -6.571 7.238 1.00 0.00 C ATOM 633 CD PRO A 47 -4.697 -7.427 6.272 1.00 0.00 C ATOM 0 HA PRO A 47 -4.128 -4.374 5.199 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.038 -4.534 7.809 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.088 -4.658 6.412 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.214 -6.787 8.267 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.564 -6.791 7.150 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.044 -8.119 6.804 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.350 -8.028 5.638 1.00 0.00 H new ATOM 638 N GLY A 48 -2.155 -5.679 7.418 1.00 0.00 N ATOM 639 CA GLY A 48 -0.925 -5.441 8.154 1.00 0.00 C ATOM 640 C GLY A 48 0.300 -5.698 7.273 1.00 0.00 C ATOM 641 O GLY A 48 1.354 -6.093 7.770 1.00 0.00 O ATOM 0 H GLY A 48 -2.522 -6.628 7.495 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.907 -4.413 8.517 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.890 -6.089 9.030 1.00 0.00 H new ATOM 645 N ASP A 49 0.121 -5.463 5.982 1.00 0.00 N ATOM 646 CA ASP A 49 1.197 -5.664 5.027 1.00 0.00 C ATOM 647 C ASP A 49 2.184 -4.499 5.126 1.00 0.00 C ATOM 648 O ASP A 49 3.361 -4.649 4.805 1.00 0.00 O ATOM 649 CB ASP A 49 0.662 -5.711 3.595 1.00 0.00 C ATOM 650 CG ASP A 49 1.208 -6.854 2.738 1.00 0.00 C ATOM 651 OD1 ASP A 49 1.719 -6.634 1.629 1.00 0.00 O ATOM 652 OD2 ASP A 49 1.093 -8.028 3.257 1.00 0.00 O ATOM 0 H ASP A 49 -0.754 -5.135 5.574 1.00 0.00 H new ATOM 0 HA ASP A 49 1.683 -6.611 5.261 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.424 -5.791 3.632 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.895 -4.766 3.105 1.00 0.00 H new ATOM 657 N MET A 50 1.667 -3.364 5.573 1.00 0.00 N ATOM 658 CA MET A 50 2.488 -2.174 5.718 1.00 0.00 C ATOM 659 C MET A 50 2.656 -1.456 4.377 1.00 0.00 C ATOM 660 O MET A 50 3.771 -1.110 3.989 1.00 0.00 O ATOM 661 CB MET A 50 3.863 -2.565 6.264 1.00 0.00 C ATOM 662 CG MET A 50 4.315 -1.595 7.357 1.00 0.00 C ATOM 663 SD MET A 50 5.244 -0.252 6.637 1.00 0.00 S ATOM 664 CE MET A 50 5.984 0.437 8.108 1.00 0.00 C ATOM 0 H MET A 50 0.690 -3.243 5.840 1.00 0.00 H new ATOM 0 HA MET A 50 1.991 -1.496 6.412 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.824 -3.578 6.665 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.592 -2.571 5.454 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.448 -1.204 7.889 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.928 -2.120 8.090 1.00 0.00 H new ATOM 0 HE1 MET A 50 5.725 1.493 8.185 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.612 -0.093 8.985 1.00 0.00 H new ATOM 0 HE3 MET A 50 7.068 0.332 8.054 1.00 0.00 H new ATOM 672 N LEU A 51 1.531 -1.254 3.706 1.00 0.00 N ATOM 673 CA LEU A 51 1.539 -0.584 2.417 1.00 0.00 C ATOM 674 C LEU A 51 1.313 0.915 2.624 1.00 0.00 C ATOM 675 O LEU A 51 0.185 1.396 2.533 1.00 0.00 O ATOM 676 CB LEU A 51 0.528 -1.233 1.469 1.00 0.00 C ATOM 677 CG LEU A 51 0.372 -0.570 0.099 1.00 0.00 C ATOM 678 CD1 LEU A 51 -0.615 0.597 0.163 1.00 0.00 C ATOM 679 CD2 LEU A 51 1.731 -0.141 -0.460 1.00 0.00 C ATOM 0 H LEU A 51 0.608 -1.543 4.031 1.00 0.00 H new ATOM 0 HA LEU A 51 2.511 -0.697 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.818 -2.273 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.446 -1.242 1.959 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.043 -1.305 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.707 1.050 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.590 0.232 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.253 1.342 0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.592 0.327 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.197 0.571 0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.373 -1.015 -0.566 1.00 0.00 H new ATOM 690 N LEU A 52 2.406 1.613 2.901 1.00 0.00 N ATOM 691 CA LEU A 52 2.341 3.048 3.123 1.00 0.00 C ATOM 692 C LEU A 52 3.342 3.747 2.202 1.00 0.00 C ATOM 693 O LEU A 52 3.514 4.963 2.274 1.00 0.00 O ATOM 694 CB LEU A 52 2.540 3.371 4.605 1.00 0.00 C ATOM 695 CG LEU A 52 3.956 3.776 5.019 1.00 0.00 C ATOM 696 CD1 LEU A 52 5.000 2.877 4.356 1.00 0.00 C ATOM 697 CD2 LEU A 52 4.208 5.257 4.732 1.00 0.00 C ATOM 0 H LEU A 52 3.341 1.211 2.977 1.00 0.00 H new ATOM 0 HA LEU A 52 1.352 3.429 2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.859 4.178 4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.248 2.498 5.189 1.00 0.00 H new ATOM 0 HG LEU A 52 4.050 3.636 6.096 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.998 3.187 4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.832 1.842 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.916 2.960 3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.222 5.519 5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.088 5.446 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.494 5.862 5.290 1.00 0.00 H new ATOM 708 N GLN A 53 3.978 2.949 1.356 1.00 0.00 N ATOM 709 CA GLN A 53 4.957 3.476 0.421 1.00 0.00 C ATOM 710 C GLN A 53 4.715 2.909 -0.978 1.00 0.00 C ATOM 711 O GLN A 53 4.128 1.838 -1.125 1.00 0.00 O ATOM 712 CB GLN A 53 6.382 3.178 0.894 1.00 0.00 C ATOM 713 CG GLN A 53 6.490 1.756 1.445 1.00 0.00 C ATOM 714 CD GLN A 53 7.644 1.641 2.445 1.00 0.00 C ATOM 715 OE1 GLN A 53 8.101 2.615 3.019 1.00 0.00 O ATOM 716 NE2 GLN A 53 8.086 0.399 2.619 1.00 0.00 N ATOM 0 H GLN A 53 3.834 1.941 1.299 1.00 0.00 H new ATOM 0 HA GLN A 53 4.842 4.559 0.377 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.078 3.304 0.065 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.670 3.893 1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.554 1.478 1.930 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.644 1.055 0.625 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.658 -0.371 2.106 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.853 0.217 3.266 1.00 0.00 H new ATOM 723 N VAL A 54 5.178 3.653 -1.972 1.00 0.00 N ATOM 724 CA VAL A 54 5.019 3.238 -3.355 1.00 0.00 C ATOM 725 C VAL A 54 6.299 3.558 -4.130 1.00 0.00 C ATOM 726 O VAL A 54 7.011 4.503 -3.796 1.00 0.00 O ATOM 727 CB VAL A 54 3.775 3.893 -3.958 1.00 0.00 C ATOM 728 CG1 VAL A 54 3.841 3.890 -5.488 1.00 0.00 C ATOM 729 CG2 VAL A 54 2.500 3.210 -3.463 1.00 0.00 C ATOM 0 H VAL A 54 5.664 4.541 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 54 4.864 2.161 -3.415 1.00 0.00 H new ATOM 0 HB VAL A 54 3.749 4.931 -3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.945 4.361 -5.892 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.721 4.444 -5.815 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.904 2.863 -5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.631 3.696 -3.907 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.515 2.159 -3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.444 3.288 -2.377 1.00 0.00 H new ATOM 739 N ASN A 55 6.552 2.751 -5.150 1.00 0.00 N ATOM 740 CA ASN A 55 7.735 2.937 -5.975 1.00 0.00 C ATOM 741 C ASN A 55 8.915 3.330 -5.085 1.00 0.00 C ATOM 742 O ASN A 55 9.082 2.790 -3.993 1.00 0.00 O ATOM 743 CB ASN A 55 7.521 4.053 -7.000 1.00 0.00 C ATOM 744 CG ASN A 55 8.415 3.850 -8.224 1.00 0.00 C ATOM 745 OD1 ASN A 55 8.494 2.776 -8.798 1.00 0.00 O ATOM 746 ND2 ASN A 55 9.084 4.940 -8.592 1.00 0.00 N ATOM 0 H ASN A 55 5.959 1.968 -5.424 1.00 0.00 H new ATOM 0 HA ASN A 55 7.933 2.001 -6.498 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.476 4.074 -7.308 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.738 5.018 -6.543 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.708 4.907 -9.398 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.973 5.808 -8.068 1.00 0.00 H new ATOM 752 N ASP A 56 9.704 4.270 -5.586 1.00 0.00 N ATOM 753 CA ASP A 56 10.864 4.743 -4.851 1.00 0.00 C ATOM 754 C ASP A 56 10.413 5.733 -3.775 1.00 0.00 C ATOM 755 O ASP A 56 11.239 6.306 -3.068 1.00 0.00 O ATOM 756 CB ASP A 56 11.846 5.465 -5.776 1.00 0.00 C ATOM 757 CG ASP A 56 11.439 6.887 -6.167 1.00 0.00 C ATOM 758 OD1 ASP A 56 10.322 7.122 -6.650 1.00 0.00 O ATOM 759 OD2 ASP A 56 12.337 7.789 -5.955 1.00 0.00 O ATOM 0 H ASP A 56 9.562 4.716 -6.492 1.00 0.00 H new ATOM 0 HA ASP A 56 11.356 3.878 -4.407 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.820 5.503 -5.288 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.967 4.875 -6.684 1.00 0.00 H new ATOM 764 N VAL A 57 9.102 5.903 -3.686 1.00 0.00 N ATOM 765 CA VAL A 57 8.530 6.813 -2.708 1.00 0.00 C ATOM 766 C VAL A 57 8.353 6.081 -1.377 1.00 0.00 C ATOM 767 O VAL A 57 8.098 4.877 -1.356 1.00 0.00 O ATOM 768 CB VAL A 57 7.224 7.404 -3.245 1.00 0.00 C ATOM 769 CG1 VAL A 57 6.248 7.702 -2.104 1.00 0.00 C ATOM 770 CG2 VAL A 57 7.491 8.658 -4.080 1.00 0.00 C ATOM 0 H VAL A 57 8.419 5.426 -4.275 1.00 0.00 H new ATOM 0 HA VAL A 57 9.202 7.652 -2.529 1.00 0.00 H new ATOM 0 HB VAL A 57 6.763 6.661 -3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.328 8.121 -2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.021 6.780 -1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.699 8.418 -1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.546 9.057 -4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.985 9.408 -3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.132 8.403 -4.924 1.00 0.00 H new ATOM 780 N ASN A 58 8.494 6.837 -0.298 1.00 0.00 N ATOM 781 CA ASN A 58 8.353 6.274 1.033 1.00 0.00 C ATOM 782 C ASN A 58 7.762 7.331 1.968 1.00 0.00 C ATOM 783 O ASN A 58 8.498 8.078 2.611 1.00 0.00 O ATOM 784 CB ASN A 58 9.709 5.848 1.599 1.00 0.00 C ATOM 785 CG ASN A 58 10.678 7.032 1.650 1.00 0.00 C ATOM 786 OD1 ASN A 58 10.561 7.995 0.911 1.00 0.00 O ATOM 787 ND2 ASN A 58 11.638 6.906 2.562 1.00 0.00 N ATOM 0 H ASN A 58 8.704 7.835 -0.319 1.00 0.00 H new ATOM 0 HA ASN A 58 7.702 5.402 0.963 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.577 5.438 2.600 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.131 5.054 0.983 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.334 7.643 2.675 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.678 6.073 3.149 1.00 0.00 H new ATOM 793 N PHE A 59 6.439 7.360 2.016 1.00 0.00 N ATOM 794 CA PHE A 59 5.740 8.313 2.862 1.00 0.00 C ATOM 795 C PHE A 59 5.721 7.842 4.317 1.00 0.00 C ATOM 796 O PHE A 59 4.667 7.820 4.953 1.00 0.00 O ATOM 797 CB PHE A 59 4.302 8.399 2.347 1.00 0.00 C ATOM 798 CG PHE A 59 4.183 8.940 0.921 1.00 0.00 C ATOM 799 CD1 PHE A 59 4.928 10.011 0.536 1.00 0.00 C ATOM 800 CD2 PHE A 59 3.332 8.350 0.038 1.00 0.00 C ATOM 801 CE1 PHE A 59 4.817 10.514 -0.788 1.00 0.00 C ATOM 802 CE2 PHE A 59 3.223 8.853 -1.285 1.00 0.00 C ATOM 803 CZ PHE A 59 3.967 9.923 -1.670 1.00 0.00 C ATOM 0 H PHE A 59 5.831 6.738 1.482 1.00 0.00 H new ATOM 0 HA PHE A 59 6.242 9.280 2.827 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.853 7.407 2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.725 9.037 3.016 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.604 10.479 1.237 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.740 7.500 0.343 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.407 11.365 -1.094 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.548 8.385 -1.986 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.883 10.304 -2.677 1.00 0.00 H new ATOM 812 N GLU A 60 6.897 7.477 4.804 1.00 0.00 N ATOM 813 CA GLU A 60 7.029 7.008 6.173 1.00 0.00 C ATOM 814 C GLU A 60 6.699 8.135 7.154 1.00 0.00 C ATOM 815 O GLU A 60 5.687 8.079 7.851 1.00 0.00 O ATOM 816 CB GLU A 60 8.430 6.451 6.429 1.00 0.00 C ATOM 817 CG GLU A 60 8.654 5.150 5.654 1.00 0.00 C ATOM 818 CD GLU A 60 8.612 3.940 6.591 1.00 0.00 C ATOM 819 OE1 GLU A 60 7.544 3.342 6.783 1.00 0.00 O ATOM 820 OE2 GLU A 60 9.743 3.628 7.127 1.00 0.00 O ATOM 0 H GLU A 60 7.769 7.496 4.275 1.00 0.00 H new ATOM 0 HA GLU A 60 6.318 6.197 6.329 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.177 7.187 6.134 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.564 6.271 7.496 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.890 5.045 4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.617 5.187 5.145 1.00 0.00 H new ATOM 826 N ASN A 61 7.572 9.132 7.177 1.00 0.00 N ATOM 827 CA ASN A 61 7.385 10.269 8.061 1.00 0.00 C ATOM 828 C ASN A 61 5.938 10.755 7.962 1.00 0.00 C ATOM 829 O ASN A 61 5.416 11.355 8.901 1.00 0.00 O ATOM 830 CB ASN A 61 8.301 11.430 7.665 1.00 0.00 C ATOM 831 CG ASN A 61 9.340 11.704 8.754 1.00 0.00 C ATOM 832 OD1 ASN A 61 9.301 11.150 9.840 1.00 0.00 O ATOM 833 ND2 ASN A 61 10.268 12.590 8.405 1.00 0.00 N ATOM 0 H ASN A 61 8.410 9.175 6.598 1.00 0.00 H new ATOM 0 HA ASN A 61 7.623 9.950 9.076 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.805 11.197 6.727 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.705 12.326 7.492 1.00 0.00 H new ATOM 0 HD21 ASN A 61 11.005 12.843 9.063 1.00 0.00 H new ATOM 0 HD22 ASN A 61 10.243 13.017 7.479 1.00 0.00 H new ATOM 839 N MET A 62 5.331 10.476 6.818 1.00 0.00 N ATOM 840 CA MET A 62 3.954 10.877 6.586 1.00 0.00 C ATOM 841 C MET A 62 3.021 10.276 7.639 1.00 0.00 C ATOM 842 O MET A 62 2.586 10.970 8.556 1.00 0.00 O ATOM 843 CB MET A 62 3.516 10.416 5.194 1.00 0.00 C ATOM 844 CG MET A 62 2.983 11.589 4.369 1.00 0.00 C ATOM 845 SD MET A 62 3.752 11.603 2.758 1.00 0.00 S ATOM 846 CE MET A 62 2.427 10.919 1.777 1.00 0.00 C ATOM 0 H MET A 62 5.767 9.977 6.042 1.00 0.00 H new ATOM 0 HA MET A 62 3.896 11.963 6.655 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.359 9.957 4.677 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.744 9.652 5.286 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.901 11.508 4.264 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.184 12.528 4.885 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.759 10.807 0.745 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.145 9.944 2.175 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.567 11.587 1.811 1.00 0.00 H new ATOM 854 N SER A 63 2.744 8.991 7.473 1.00 0.00 N ATOM 855 CA SER A 63 1.872 8.289 8.399 1.00 0.00 C ATOM 856 C SER A 63 0.834 9.254 8.976 1.00 0.00 C ATOM 857 O SER A 63 0.665 9.335 10.191 1.00 0.00 O ATOM 858 CB SER A 63 2.675 7.639 9.527 1.00 0.00 C ATOM 859 OG SER A 63 1.920 7.535 10.731 1.00 0.00 O ATOM 0 H SER A 63 3.108 8.418 6.712 1.00 0.00 H new ATOM 0 HA SER A 63 1.359 7.498 7.851 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.998 6.646 9.215 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.576 8.224 9.714 1.00 0.00 H new ATOM 0 HG SER A 63 1.743 8.432 11.085 1.00 0.00 H new ATOM 864 N ASN A 64 0.167 9.961 8.075 1.00 0.00 N ATOM 865 CA ASN A 64 -0.850 10.918 8.480 1.00 0.00 C ATOM 866 C ASN A 64 -2.211 10.221 8.525 1.00 0.00 C ATOM 867 O ASN A 64 -3.249 10.871 8.420 1.00 0.00 O ATOM 868 CB ASN A 64 -0.944 12.074 7.482 1.00 0.00 C ATOM 869 CG ASN A 64 -1.223 13.396 8.202 1.00 0.00 C ATOM 870 OD1 ASN A 64 -2.356 13.763 8.466 1.00 0.00 O ATOM 871 ND2 ASN A 64 -0.128 14.090 8.503 1.00 0.00 N ATOM 0 H ASN A 64 0.310 9.891 7.068 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.576 11.308 9.460 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.013 12.151 6.920 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.736 11.874 6.761 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -0.208 14.986 8.983 1.00 0.00 H new ATOM 0 HD22 ASN A 64 0.791 13.726 8.253 1.00 0.00 H new ATOM 877 N ASP A 65 -2.161 8.905 8.680 1.00 0.00 N ATOM 878 CA ASP A 65 -3.377 8.113 8.740 1.00 0.00 C ATOM 879 C ASP A 65 -4.353 8.601 7.667 1.00 0.00 C ATOM 880 O ASP A 65 -5.567 8.473 7.823 1.00 0.00 O ATOM 881 CB ASP A 65 -4.061 8.255 10.101 1.00 0.00 C ATOM 882 CG ASP A 65 -3.111 8.437 11.286 1.00 0.00 C ATOM 883 OD1 ASP A 65 -2.385 9.439 11.375 1.00 0.00 O ATOM 884 OD2 ASP A 65 -3.134 7.485 12.155 1.00 0.00 O ATOM 0 H ASP A 65 -1.298 8.369 8.766 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.107 7.069 8.579 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.738 9.108 10.063 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.673 7.370 10.278 1.00 0.00 H new ATOM 889 N ASP A 66 -3.786 9.152 6.604 1.00 0.00 N ATOM 890 CA ASP A 66 -4.591 9.660 5.506 1.00 0.00 C ATOM 891 C ASP A 66 -3.697 9.884 4.285 1.00 0.00 C ATOM 892 O ASP A 66 -3.966 10.761 3.466 1.00 0.00 O ATOM 893 CB ASP A 66 -5.237 10.998 5.870 1.00 0.00 C ATOM 894 CG ASP A 66 -6.164 10.959 7.087 1.00 0.00 C ATOM 895 OD1 ASP A 66 -5.780 11.359 8.196 1.00 0.00 O ATOM 896 OD2 ASP A 66 -7.343 10.488 6.858 1.00 0.00 O ATOM 0 H ASP A 66 -2.779 9.258 6.480 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.371 8.929 5.293 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.448 11.726 6.056 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.805 11.356 5.011 1.00 0.00 H new ATOM 901 N ALA A 67 -2.651 9.074 4.201 1.00 0.00 N ATOM 902 CA ALA A 67 -1.716 9.172 3.094 1.00 0.00 C ATOM 903 C ALA A 67 -2.469 8.971 1.777 1.00 0.00 C ATOM 904 O ALA A 67 -1.958 9.305 0.708 1.00 0.00 O ATOM 905 CB ALA A 67 -0.591 8.153 3.283 1.00 0.00 C ATOM 0 H ALA A 67 -2.431 8.347 4.882 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.258 10.161 3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.110 8.227 2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.069 8.357 4.218 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.012 7.148 3.314 1.00 0.00 H new ATOM 911 N VAL A 68 -3.670 8.427 1.896 1.00 0.00 N ATOM 912 CA VAL A 68 -4.499 8.178 0.728 1.00 0.00 C ATOM 913 C VAL A 68 -4.697 9.486 -0.040 1.00 0.00 C ATOM 914 O VAL A 68 -4.610 9.509 -1.266 1.00 0.00 O ATOM 915 CB VAL A 68 -5.817 7.527 1.151 1.00 0.00 C ATOM 916 CG1 VAL A 68 -6.936 7.863 0.163 1.00 0.00 C ATOM 917 CG2 VAL A 68 -5.657 6.013 1.305 1.00 0.00 C ATOM 0 H VAL A 68 -4.090 8.151 2.784 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.008 7.477 0.053 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.095 7.934 2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.862 7.388 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.076 8.943 0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.668 7.497 -0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.609 5.575 1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.344 5.582 0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.904 5.802 2.064 1.00 0.00 H new ATOM 927 N ARG A 69 -4.959 10.544 0.714 1.00 0.00 N ATOM 928 CA ARG A 69 -5.171 11.852 0.119 1.00 0.00 C ATOM 929 C ARG A 69 -4.150 12.100 -0.993 1.00 0.00 C ATOM 930 O ARG A 69 -4.408 12.872 -1.917 1.00 0.00 O ATOM 931 CB ARG A 69 -5.051 12.960 1.168 1.00 0.00 C ATOM 932 CG ARG A 69 -5.103 14.342 0.515 1.00 0.00 C ATOM 933 CD ARG A 69 -5.999 15.292 1.312 1.00 0.00 C ATOM 934 NE ARG A 69 -7.267 15.523 0.584 1.00 0.00 N ATOM 935 CZ ARG A 69 -8.416 15.919 1.171 1.00 0.00 C ATOM 936 NH1 ARG A 69 -8.466 16.133 2.504 1.00 0.00 N ATOM 937 NH2 ARG A 69 -9.489 16.095 0.424 1.00 0.00 N ATOM 0 H ARG A 69 -5.029 10.522 1.731 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.178 11.868 -0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.858 12.867 1.894 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.115 12.848 1.715 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.096 14.755 0.449 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.478 14.252 -0.505 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.206 14.870 2.295 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.485 16.240 1.474 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.273 15.373 -0.425 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.632 15.995 3.074 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.338 16.432 2.940 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.443 15.932 -0.582 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.365 16.394 0.852 1.00 0.00 H new ATOM 947 N VAL A 70 -3.013 11.433 -0.870 1.00 0.00 N ATOM 948 CA VAL A 70 -1.952 11.572 -1.853 1.00 0.00 C ATOM 949 C VAL A 70 -1.849 10.282 -2.670 1.00 0.00 C ATOM 950 O VAL A 70 -1.712 10.325 -3.892 1.00 0.00 O ATOM 951 CB VAL A 70 -0.641 11.947 -1.160 1.00 0.00 C ATOM 952 CG1 VAL A 70 0.464 10.944 -1.496 1.00 0.00 C ATOM 953 CG2 VAL A 70 -0.218 13.372 -1.524 1.00 0.00 C ATOM 0 H VAL A 70 -2.803 10.794 -0.104 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.179 12.381 -2.548 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.808 11.911 -0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.385 11.234 -0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.166 9.949 -1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.630 10.932 -2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.717 13.614 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.077 13.445 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.992 14.073 -1.211 1.00 0.00 H new ATOM 963 N LEU A 71 -1.916 9.164 -1.962 1.00 0.00 N ATOM 964 CA LEU A 71 -1.831 7.864 -2.605 1.00 0.00 C ATOM 965 C LEU A 71 -2.875 7.783 -3.723 1.00 0.00 C ATOM 966 O LEU A 71 -2.608 7.230 -4.788 1.00 0.00 O ATOM 967 CB LEU A 71 -1.951 6.744 -1.571 1.00 0.00 C ATOM 968 CG LEU A 71 -0.993 5.563 -1.745 1.00 0.00 C ATOM 969 CD1 LEU A 71 0.158 5.639 -0.741 1.00 0.00 C ATOM 970 CD2 LEU A 71 -1.742 4.232 -1.659 1.00 0.00 C ATOM 0 H LEU A 71 -2.028 9.132 -0.949 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.854 7.733 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.792 7.172 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.972 6.364 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.555 5.622 -2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.824 4.788 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.713 6.565 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.242 5.618 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.038 3.410 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.226 4.149 -0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.497 4.188 -2.444 1.00 0.00 H new ATOM 981 N ARG A 72 -4.042 8.344 -3.439 1.00 0.00 N ATOM 982 CA ARG A 72 -5.127 8.343 -4.406 1.00 0.00 C ATOM 983 C ARG A 72 -4.793 9.266 -5.580 1.00 0.00 C ATOM 984 O ARG A 72 -5.421 9.186 -6.635 1.00 0.00 O ATOM 985 CB ARG A 72 -6.437 8.800 -3.764 1.00 0.00 C ATOM 986 CG ARG A 72 -7.640 8.376 -4.609 1.00 0.00 C ATOM 987 CD ARG A 72 -8.883 9.189 -4.241 1.00 0.00 C ATOM 988 NE ARG A 72 -9.470 9.794 -5.457 1.00 0.00 N ATOM 989 CZ ARG A 72 -10.700 10.348 -5.509 1.00 0.00 C ATOM 990 NH1 ARG A 72 -11.486 10.376 -4.412 1.00 0.00 N ATOM 991 NH2 ARG A 72 -11.124 10.860 -6.649 1.00 0.00 N ATOM 0 H ARG A 72 -4.260 8.802 -2.554 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.249 7.321 -4.766 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.523 8.376 -2.764 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.432 9.884 -3.651 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.412 8.512 -5.666 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.838 7.315 -4.459 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.617 8.547 -3.754 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.619 9.970 -3.527 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.910 9.792 -6.310 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.152 9.977 -3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.414 10.797 -4.460 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.525 10.833 -7.474 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.051 11.282 -6.705 1.00 0.00 H new ATOM 1001 N GLU A 73 -3.805 10.120 -5.357 1.00 0.00 N ATOM 1002 CA GLU A 73 -3.380 11.057 -6.383 1.00 0.00 C ATOM 1003 C GLU A 73 -2.413 10.378 -7.355 1.00 0.00 C ATOM 1004 O GLU A 73 -2.221 10.849 -8.475 1.00 0.00 O ATOM 1005 CB GLU A 73 -2.746 12.303 -5.759 1.00 0.00 C ATOM 1006 CG GLU A 73 -1.227 12.294 -5.941 1.00 0.00 C ATOM 1007 CD GLU A 73 -0.606 13.595 -5.427 1.00 0.00 C ATOM 1008 OE1 GLU A 73 -1.115 14.185 -4.464 1.00 0.00 O ATOM 1009 OE2 GLU A 73 0.444 13.987 -6.065 1.00 0.00 O ATOM 0 H GLU A 73 -3.287 10.183 -4.481 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.260 11.378 -6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.166 13.198 -6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.989 12.346 -4.697 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.798 11.446 -5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.984 12.162 -6.995 1.00 0.00 H new ATOM 1015 N ILE A 74 -1.831 9.282 -6.890 1.00 0.00 N ATOM 1016 CA ILE A 74 -0.889 8.533 -7.705 1.00 0.00 C ATOM 1017 C ILE A 74 -1.619 7.954 -8.919 1.00 0.00 C ATOM 1018 O ILE A 74 -1.689 8.593 -9.968 1.00 0.00 O ATOM 1019 CB ILE A 74 -0.170 7.480 -6.859 1.00 0.00 C ATOM 1020 CG1 ILE A 74 0.445 8.108 -5.608 1.00 0.00 C ATOM 1021 CG2 ILE A 74 0.869 6.725 -7.692 1.00 0.00 C ATOM 1022 CD1 ILE A 74 1.917 8.455 -5.834 1.00 0.00 C ATOM 0 H ILE A 74 -1.993 8.895 -5.960 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.108 9.190 -8.087 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.906 6.750 -6.523 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.107 9.009 -5.340 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.355 7.418 -4.769 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.366 5.982 -7.068 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.374 6.226 -8.525 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.608 7.428 -8.077 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.329 8.900 -4.928 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.471 7.549 -6.078 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.001 9.164 -6.657 1.00 0.00 H new ATOM 1033 N VAL A 75 -2.142 6.751 -8.736 1.00 0.00 N ATOM 1034 CA VAL A 75 -2.863 6.080 -9.805 1.00 0.00 C ATOM 1035 C VAL A 75 -3.665 7.111 -10.601 1.00 0.00 C ATOM 1036 O VAL A 75 -3.771 7.012 -11.822 1.00 0.00 O ATOM 1037 CB VAL A 75 -3.735 4.964 -9.225 1.00 0.00 C ATOM 1038 CG1 VAL A 75 -3.021 3.612 -9.307 1.00 0.00 C ATOM 1039 CG2 VAL A 75 -4.146 5.280 -7.786 1.00 0.00 C ATOM 0 H VAL A 75 -2.081 6.224 -7.865 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.166 5.607 -10.497 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.642 4.902 -9.826 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.662 2.836 -8.888 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.802 3.379 -10.349 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.090 3.657 -8.742 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.765 4.471 -7.398 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.255 5.383 -7.167 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.712 6.211 -7.765 1.00 0.00 H new ATOM 1049 N SER A 76 -4.207 8.079 -9.877 1.00 0.00 N ATOM 1050 CA SER A 76 -4.995 9.128 -10.500 1.00 0.00 C ATOM 1051 C SER A 76 -4.182 9.808 -11.604 1.00 0.00 C ATOM 1052 O SER A 76 -4.543 9.739 -12.778 1.00 0.00 O ATOM 1053 CB SER A 76 -5.455 10.160 -9.467 1.00 0.00 C ATOM 1054 OG SER A 76 -6.143 11.251 -10.073 1.00 0.00 O ATOM 0 H SER A 76 -4.116 8.159 -8.864 1.00 0.00 H new ATOM 0 HA SER A 76 -5.883 8.673 -10.939 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.108 9.678 -8.739 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.590 10.536 -8.920 1.00 0.00 H new ATOM 0 HG SER A 76 -6.422 11.887 -9.381 1.00 0.00 H new ATOM 1059 N GLN A 77 -3.100 10.448 -11.188 1.00 0.00 N ATOM 1060 CA GLN A 77 -2.232 11.140 -12.127 1.00 0.00 C ATOM 1061 C GLN A 77 -0.765 10.829 -11.822 1.00 0.00 C ATOM 1062 O GLN A 77 -0.395 9.668 -11.655 1.00 0.00 O ATOM 1063 CB GLN A 77 -2.489 12.648 -12.103 1.00 0.00 C ATOM 1064 CG GLN A 77 -3.981 12.953 -12.256 1.00 0.00 C ATOM 1065 CD GLN A 77 -4.213 14.041 -13.306 1.00 0.00 C ATOM 1066 OE1 GLN A 77 -4.681 15.130 -13.016 1.00 0.00 O ATOM 1067 NE2 GLN A 77 -3.862 13.687 -14.539 1.00 0.00 N ATOM 0 H GLN A 77 -2.804 10.502 -10.213 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.458 10.782 -13.132 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.123 13.068 -11.166 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.932 13.128 -12.907 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.514 12.046 -12.543 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.390 13.274 -11.298 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.476 12.759 -14.713 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.979 14.344 -15.311 1.00 0.00 H new ATOM 1074 N THR A 78 0.030 11.887 -11.759 1.00 0.00 N ATOM 1075 CA THR A 78 1.447 11.741 -11.479 1.00 0.00 C ATOM 1076 C THR A 78 1.672 10.673 -10.406 1.00 0.00 C ATOM 1077 O THR A 78 0.755 10.336 -9.659 1.00 0.00 O ATOM 1078 CB THR A 78 1.996 13.116 -11.091 1.00 0.00 C ATOM 1079 OG1 THR A 78 1.179 13.521 -9.997 1.00 0.00 O ATOM 1080 CG2 THR A 78 1.735 14.174 -12.164 1.00 0.00 C ATOM 0 H THR A 78 -0.281 12.849 -11.897 1.00 0.00 H new ATOM 0 HA THR A 78 1.990 11.393 -12.358 1.00 0.00 H new ATOM 0 HB THR A 78 3.068 13.040 -10.909 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.468 14.403 -9.682 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.144 15.131 -11.839 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.213 13.873 -13.096 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.661 14.274 -12.323 1.00 0.00 H new ATOM 1088 N GLY A 79 2.897 10.170 -10.365 1.00 0.00 N ATOM 1089 CA GLY A 79 3.253 9.147 -9.396 1.00 0.00 C ATOM 1090 C GLY A 79 3.294 7.764 -10.048 1.00 0.00 C ATOM 1091 O GLY A 79 2.275 7.269 -10.527 1.00 0.00 O ATOM 0 H GLY A 79 3.655 10.451 -10.987 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.225 9.376 -8.960 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.530 9.147 -8.580 1.00 0.00 H new ATOM 1095 N PRO A 80 4.514 7.163 -10.046 1.00 0.00 N ATOM 1096 CA PRO A 80 4.701 5.847 -10.632 1.00 0.00 C ATOM 1097 C PRO A 80 4.125 4.757 -9.727 1.00 0.00 C ATOM 1098 O PRO A 80 4.172 4.872 -8.503 1.00 0.00 O ATOM 1099 CB PRO A 80 6.202 5.717 -10.837 1.00 0.00 C ATOM 1100 CG PRO A 80 6.838 6.764 -9.936 1.00 0.00 C ATOM 1101 CD PRO A 80 5.743 7.719 -9.488 1.00 0.00 C ATOM 0 HA PRO A 80 4.172 5.729 -11.577 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.547 4.716 -10.576 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.470 5.885 -11.880 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.309 6.291 -9.074 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.620 7.303 -10.470 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.692 7.780 -8.401 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.923 8.729 -9.856 1.00 0.00 H new ATOM 1106 N ILE A 81 3.594 3.724 -10.365 1.00 0.00 N ATOM 1107 CA ILE A 81 3.008 2.613 -9.632 1.00 0.00 C ATOM 1108 C ILE A 81 4.117 1.651 -9.202 1.00 0.00 C ATOM 1109 O ILE A 81 5.095 1.462 -9.924 1.00 0.00 O ATOM 1110 CB ILE A 81 1.904 1.951 -10.456 1.00 0.00 C ATOM 1111 CG1 ILE A 81 0.539 2.567 -10.141 1.00 0.00 C ATOM 1112 CG2 ILE A 81 1.907 0.433 -10.259 1.00 0.00 C ATOM 1113 CD1 ILE A 81 -0.506 2.144 -11.176 1.00 0.00 C ATOM 0 H ILE A 81 3.557 3.633 -11.380 1.00 0.00 H new ATOM 0 HA ILE A 81 2.524 2.969 -8.722 1.00 0.00 H new ATOM 0 HB ILE A 81 2.106 2.139 -11.510 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.217 2.257 -9.147 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.621 3.654 -10.125 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.112 -0.013 -10.856 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.868 0.027 -10.574 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.743 0.202 -9.206 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.467 2.596 -10.929 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.193 2.476 -12.166 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.604 1.058 -11.172 1.00 0.00 H new ATOM 1124 N SER A 82 3.927 1.065 -8.029 1.00 0.00 N ATOM 1125 CA SER A 82 4.899 0.126 -7.495 1.00 0.00 C ATOM 1126 C SER A 82 4.767 0.046 -5.973 1.00 0.00 C ATOM 1127 O SER A 82 5.765 0.112 -5.256 1.00 0.00 O ATOM 1128 CB SER A 82 6.323 0.526 -7.885 1.00 0.00 C ATOM 1129 OG SER A 82 7.296 -0.055 -7.021 1.00 0.00 O ATOM 0 H SER A 82 3.114 1.222 -7.433 1.00 0.00 H new ATOM 0 HA SER A 82 4.697 -0.856 -7.923 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.518 0.216 -8.912 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.415 1.612 -7.857 1.00 0.00 H new ATOM 0 HG SER A 82 7.074 0.156 -6.090 1.00 0.00 H new ATOM 1134 N LEU A 83 3.528 -0.094 -5.524 1.00 0.00 N ATOM 1135 CA LEU A 83 3.254 -0.183 -4.101 1.00 0.00 C ATOM 1136 C LEU A 83 4.466 -0.788 -3.388 1.00 0.00 C ATOM 1137 O LEU A 83 5.086 -1.722 -3.896 1.00 0.00 O ATOM 1138 CB LEU A 83 1.951 -0.947 -3.852 1.00 0.00 C ATOM 1139 CG LEU A 83 0.963 -0.983 -5.020 1.00 0.00 C ATOM 1140 CD1 LEU A 83 1.417 -1.974 -6.093 1.00 0.00 C ATOM 1141 CD2 LEU A 83 -0.456 -1.280 -4.528 1.00 0.00 C ATOM 0 H LEU A 83 2.703 -0.148 -6.121 1.00 0.00 H new ATOM 0 HA LEU A 83 3.100 0.811 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.200 -1.973 -3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.451 -0.502 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 83 0.944 0.004 -5.482 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.697 -1.980 -6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.395 -1.677 -6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.483 -2.973 -5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.139 -1.300 -5.377 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.472 -2.248 -4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.769 -0.504 -3.829 1.00 0.00 H new ATOM 1152 N THR A 84 4.768 -0.232 -2.224 1.00 0.00 N ATOM 1153 CA THR A 84 5.894 -0.704 -1.438 1.00 0.00 C ATOM 1154 C THR A 84 5.492 -0.857 0.030 1.00 0.00 C ATOM 1155 O THR A 84 4.745 -0.038 0.562 1.00 0.00 O ATOM 1156 CB THR A 84 7.058 0.264 -1.652 1.00 0.00 C ATOM 1157 OG1 THR A 84 7.369 0.135 -3.036 1.00 0.00 O ATOM 1158 CG2 THR A 84 8.335 -0.190 -0.941 1.00 0.00 C ATOM 0 H THR A 84 4.251 0.542 -1.806 1.00 0.00 H new ATOM 0 HA THR A 84 6.214 -1.695 -1.760 1.00 0.00 H new ATOM 0 HB THR A 84 6.775 1.254 -1.296 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.904 0.904 -3.324 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.130 0.532 -1.125 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.149 -0.260 0.131 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.636 -1.166 -1.322 1.00 0.00 H new ATOM 1166 N VAL A 85 6.007 -1.913 0.645 1.00 0.00 N ATOM 1167 CA VAL A 85 5.711 -2.183 2.041 1.00 0.00 C ATOM 1168 C VAL A 85 7.008 -2.533 2.774 1.00 0.00 C ATOM 1169 O VAL A 85 7.963 -3.007 2.161 1.00 0.00 O ATOM 1170 CB VAL A 85 4.650 -3.280 2.147 1.00 0.00 C ATOM 1171 CG1 VAL A 85 3.375 -2.884 1.400 1.00 0.00 C ATOM 1172 CG2 VAL A 85 5.191 -4.618 1.640 1.00 0.00 C ATOM 0 H VAL A 85 6.627 -2.591 0.201 1.00 0.00 H new ATOM 0 HA VAL A 85 5.294 -1.298 2.522 1.00 0.00 H new ATOM 0 HB VAL A 85 4.397 -3.400 3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.637 -3.681 1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.972 -1.966 1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.606 -2.722 0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.416 -5.380 1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.487 -4.519 0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.056 -4.910 2.236 1.00 0.00 H new ATOM 1182 N ALA A 86 7.000 -2.286 4.075 1.00 0.00 N ATOM 1183 CA ALA A 86 8.164 -2.569 4.898 1.00 0.00 C ATOM 1184 C ALA A 86 8.022 -3.962 5.513 1.00 0.00 C ATOM 1185 O ALA A 86 8.367 -4.171 6.674 1.00 0.00 O ATOM 1186 CB ALA A 86 8.316 -1.477 5.959 1.00 0.00 C ATOM 0 H ALA A 86 6.206 -1.893 4.580 1.00 0.00 H new ATOM 0 HA ALA A 86 9.071 -2.566 4.294 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.189 -1.689 6.577 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.443 -0.511 5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.425 -1.453 6.586 1.00 0.00 H new ATOM 1192 N LYS A 87 7.513 -4.881 4.704 1.00 0.00 N ATOM 1193 CA LYS A 87 7.322 -6.250 5.154 1.00 0.00 C ATOM 1194 C LYS A 87 6.472 -6.250 6.426 1.00 0.00 C ATOM 1195 O LYS A 87 6.206 -5.195 6.998 1.00 0.00 O ATOM 1196 CB LYS A 87 8.671 -6.955 5.315 1.00 0.00 C ATOM 1197 CG LYS A 87 8.584 -8.415 4.868 1.00 0.00 C ATOM 1198 CD LYS A 87 8.169 -8.515 3.399 1.00 0.00 C ATOM 1199 CE LYS A 87 6.684 -8.864 3.270 1.00 0.00 C ATOM 1200 NZ LYS A 87 6.515 -10.169 2.595 1.00 0.00 N ATOM 0 H LYS A 87 7.227 -4.704 3.741 1.00 0.00 H new ATOM 0 HA LYS A 87 6.776 -6.824 4.405 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.429 -6.436 4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.988 -6.908 6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.549 -8.901 5.011 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.864 -8.947 5.490 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.369 -7.569 2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.769 -9.275 2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.225 -8.897 4.258 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.169 -8.087 2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.660 -10.146 2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.344 -10.361 1.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.421 -10.920 3.309 1.00 0.00 H new ATOM 1209 N ALA A 88 6.073 -7.446 6.832 1.00 0.00 N ATOM 1210 CA ALA A 88 5.258 -7.597 8.026 1.00 0.00 C ATOM 1211 C ALA A 88 4.921 -9.076 8.223 1.00 0.00 C ATOM 1212 O ALA A 88 3.753 -9.461 8.190 1.00 0.00 O ATOM 1213 CB ALA A 88 4.007 -6.726 7.905 1.00 0.00 C ATOM 0 H ALA A 88 6.299 -8.319 6.356 1.00 0.00 H new ATOM 0 HA ALA A 88 5.804 -7.262 8.908 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.396 -6.840 8.801 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.300 -5.682 7.796 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.432 -7.035 7.032 1.00 0.00 H new ATOM 1219 N TRP A 89 5.965 -9.867 8.427 1.00 0.00 N ATOM 1220 CA TRP A 89 5.794 -11.296 8.629 1.00 0.00 C ATOM 1221 C TRP A 89 5.777 -11.970 7.256 1.00 0.00 C ATOM 1222 O TRP A 89 4.733 -12.435 6.803 1.00 0.00 O ATOM 1223 CB TRP A 89 4.539 -11.586 9.454 1.00 0.00 C ATOM 1224 CG TRP A 89 4.600 -12.896 10.241 1.00 0.00 C ATOM 1225 CD1 TRP A 89 5.270 -14.014 9.931 1.00 0.00 C ATOM 1226 CD2 TRP A 89 3.935 -13.180 11.490 1.00 0.00 C ATOM 1227 NE1 TRP A 89 5.086 -14.994 10.886 1.00 0.00 N ATOM 1228 CE2 TRP A 89 4.249 -14.471 11.864 1.00 0.00 C ATOM 1229 CE3 TRP A 89 3.096 -12.374 12.279 1.00 0.00 C ATOM 1230 CZ2 TRP A 89 3.767 -15.070 13.034 1.00 0.00 C ATOM 1231 CZ3 TRP A 89 2.623 -12.986 13.445 1.00 0.00 C ATOM 1232 CH2 TRP A 89 2.930 -14.284 13.835 1.00 0.00 C ATOM 0 H TRP A 89 6.932 -9.545 8.457 1.00 0.00 H new ATOM 0 HA TRP A 89 6.623 -11.706 9.206 1.00 0.00 H new ATOM 0 HB2 TRP A 89 4.376 -10.763 10.150 1.00 0.00 H new ATOM 0 HB3 TRP A 89 3.677 -11.615 8.787 1.00 0.00 H new ATOM 0 HD1 TRP A 89 5.877 -14.134 9.046 1.00 0.00 H new ATOM 0 HE1 TRP A 89 5.490 -15.930 10.875 1.00 0.00 H new ATOM 0 HE3 TRP A 89 2.837 -11.362 12.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 4.027 -16.083 13.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 1.974 -12.409 14.087 1.00 0.00 H new ATOM 0 HH2 TRP A 89 2.525 -14.685 14.752 1.00 0.00 H new ATOM 1242 N ASP A 90 6.945 -12.001 6.633 1.00 0.00 N ATOM 1243 CA ASP A 90 7.078 -12.611 5.320 1.00 0.00 C ATOM 1244 C ASP A 90 7.201 -14.127 5.478 1.00 0.00 C ATOM 1245 O ASP A 90 8.163 -14.618 6.067 1.00 0.00 O ATOM 1246 CB ASP A 90 8.332 -12.106 4.602 1.00 0.00 C ATOM 1247 CG ASP A 90 8.329 -12.300 3.085 1.00 0.00 C ATOM 1248 OD1 ASP A 90 7.340 -12.768 2.502 1.00 0.00 O ATOM 1249 OD2 ASP A 90 9.417 -11.944 2.488 1.00 0.00 O ATOM 0 H ASP A 90 7.809 -11.614 7.013 1.00 0.00 H new ATOM 0 HA ASP A 90 6.197 -12.347 4.734 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.453 -11.044 4.817 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.201 -12.617 5.017 1.00 0.00 H new ATOM 1254 N PRO A 91 6.187 -14.847 4.925 1.00 0.00 N ATOM 1255 CA PRO A 91 6.173 -16.298 4.999 1.00 0.00 C ATOM 1256 C PRO A 91 7.183 -16.906 4.023 1.00 0.00 C ATOM 1257 O PRO A 91 6.961 -16.902 2.813 1.00 0.00 O ATOM 1258 CB PRO A 91 4.739 -16.694 4.692 1.00 0.00 C ATOM 1259 CG PRO A 91 4.112 -15.490 4.005 1.00 0.00 C ATOM 1260 CD PRO A 91 5.032 -14.300 4.220 1.00 0.00 C ATOM 0 HA PRO A 91 6.474 -16.672 5.977 1.00 0.00 H new ATOM 0 HB2 PRO A 91 4.706 -17.573 4.048 1.00 0.00 H new ATOM 0 HB3 PRO A 91 4.200 -16.948 5.605 1.00 0.00 H new ATOM 0 HG2 PRO A 91 3.981 -15.683 2.940 1.00 0.00 H new ATOM 0 HG3 PRO A 91 3.123 -15.288 4.417 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.324 -13.849 3.272 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.543 -13.522 4.806 1.00 0.00 H new ATOM 1265 N THR A 92 8.270 -17.414 4.585 1.00 0.00 N ATOM 1266 CA THR A 92 9.314 -18.024 3.780 1.00 0.00 C ATOM 1267 C THR A 92 8.700 -18.868 2.661 1.00 0.00 C ATOM 1268 O THR A 92 8.104 -19.911 2.921 1.00 0.00 O ATOM 1269 CB THR A 92 10.225 -18.823 4.713 1.00 0.00 C ATOM 1270 OG1 THR A 92 11.263 -19.300 3.860 1.00 0.00 O ATOM 1271 CG2 THR A 92 9.557 -20.097 5.234 1.00 0.00 C ATOM 0 H THR A 92 8.450 -17.416 5.589 1.00 0.00 H new ATOM 0 HA THR A 92 9.920 -17.268 3.280 1.00 0.00 H new ATOM 0 HB THR A 92 10.520 -18.197 5.555 1.00 0.00 H new ATOM 0 HG1 THR A 92 11.901 -19.828 4.384 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.246 -20.627 5.891 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.656 -19.835 5.789 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.292 -20.739 4.394 1.00 0.00 H new ATOM 1279 N PRO A 93 8.870 -18.371 1.407 1.00 0.00 N ATOM 1280 CA PRO A 93 8.339 -19.067 0.247 1.00 0.00 C ATOM 1281 C PRO A 93 9.184 -20.298 -0.088 1.00 0.00 C ATOM 1282 O PRO A 93 10.128 -20.622 0.632 1.00 0.00 O ATOM 1283 CB PRO A 93 8.332 -18.032 -0.865 1.00 0.00 C ATOM 1284 CG PRO A 93 9.285 -16.935 -0.420 1.00 0.00 C ATOM 1285 CD PRO A 93 9.570 -17.138 1.060 1.00 0.00 C ATOM 0 HA PRO A 93 7.336 -19.458 0.415 1.00 0.00 H new ATOM 0 HB2 PRO A 93 8.655 -18.471 -1.809 1.00 0.00 H new ATOM 0 HB3 PRO A 93 7.329 -17.637 -1.024 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.210 -16.975 -0.996 1.00 0.00 H new ATOM 0 HG3 PRO A 93 8.844 -15.953 -0.593 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.640 -17.224 1.249 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.208 -16.297 1.652 1.00 0.00 H new ATOM 1290 N ARG A 94 8.817 -20.950 -1.182 1.00 0.00 N ATOM 1291 CA ARG A 94 9.531 -22.137 -1.621 1.00 0.00 C ATOM 1292 C ARG A 94 10.130 -21.912 -3.010 1.00 0.00 C ATOM 1293 O ARG A 94 9.837 -20.912 -3.662 1.00 0.00 O ATOM 1294 CB ARG A 94 8.601 -23.352 -1.664 1.00 0.00 C ATOM 1295 CG ARG A 94 7.565 -23.211 -2.780 1.00 0.00 C ATOM 1296 CD ARG A 94 6.167 -23.577 -2.279 1.00 0.00 C ATOM 1297 NE ARG A 94 5.811 -24.943 -2.722 1.00 0.00 N ATOM 1298 CZ ARG A 94 6.109 -26.064 -2.033 1.00 0.00 C ATOM 1299 NH1 ARG A 94 6.772 -25.992 -0.859 1.00 0.00 N ATOM 1300 NH2 ARG A 94 5.743 -27.235 -2.523 1.00 0.00 N ATOM 0 H ARG A 94 8.034 -20.679 -1.777 1.00 0.00 H new ATOM 0 HA ARG A 94 10.330 -22.329 -0.905 1.00 0.00 H new ATOM 0 HB2 ARG A 94 9.187 -24.258 -1.820 1.00 0.00 H new ATOM 0 HB3 ARG A 94 8.095 -23.461 -0.705 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.565 -22.187 -3.154 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.836 -23.856 -3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.135 -23.519 -1.191 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.437 -22.861 -2.658 1.00 0.00 H new ATOM 0 HE ARG A 94 5.309 -25.044 -3.604 1.00 0.00 H new ATOM 0 HH11 ARG A 94 7.052 -25.085 -0.486 1.00 0.00 H new ATOM 0 HH12 ARG A 94 6.993 -26.845 -0.345 1.00 0.00 H new ATOM 0 HH21 ARG A 94 5.242 -27.283 -3.410 1.00 0.00 H new ATOM 0 HH22 ARG A 94 5.961 -28.092 -2.014 1.00 0.00 H new ATOM 1310 N SER A 95 10.957 -22.861 -3.423 1.00 0.00 N ATOM 1311 CA SER A 95 11.601 -22.780 -4.723 1.00 0.00 C ATOM 1312 C SER A 95 11.775 -24.183 -5.310 1.00 0.00 C ATOM 1313 O SER A 95 11.796 -24.352 -6.527 1.00 0.00 O ATOM 1314 CB SER A 95 12.954 -22.073 -4.626 1.00 0.00 C ATOM 1315 OG SER A 95 13.815 -22.418 -5.707 1.00 0.00 O ATOM 0 H SER A 95 11.196 -23.691 -2.880 1.00 0.00 H new ATOM 0 HA SER A 95 10.963 -22.193 -5.384 1.00 0.00 H new ATOM 0 HB2 SER A 95 12.799 -20.994 -4.616 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.433 -22.335 -3.683 1.00 0.00 H new ATOM 0 HG SER A 95 14.668 -21.945 -5.610 1.00 0.00 H new TER 1320 SER A 95