USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 795 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl -100:sc= -11.9! (180deg=-13!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -118:sc= 0.0934 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -61:sc= -1.44! USER MOD Single : A 20 HIS :FLIP no HE2:sc= -2.58 F(o=-5.6!,f=-2.6) USER MOD Single : A 30 SER OG : rot 180:sc= 0.137 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0265 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -14.6! C(o=-17!,f=-15!) USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= 0.669 (180deg=0.644) USER MOD Single : A 76 SER OG : rot 28:sc= 0.187 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 20.866 3.153 -3.986 1.00 0.00 N ATOM 2 CA GLY A -2 20.014 3.710 -2.949 1.00 0.00 C ATOM 3 C GLY A -2 19.280 4.954 -3.452 1.00 0.00 C ATOM 4 O GLY A -2 19.615 5.494 -4.506 1.00 0.00 O ATOM 0 H1 GLY A -2 20.547 2.190 -4.217 1.00 0.00 H new ATOM 0 H2 GLY A -2 20.812 3.749 -4.837 1.00 0.00 H new ATOM 0 H3 GLY A -2 21.849 3.120 -3.647 1.00 0.00 H new ATOM 0 HA2 GLY A -2 19.290 2.961 -2.627 1.00 0.00 H new ATOM 0 HA3 GLY A -2 20.616 3.966 -2.077 1.00 0.00 H new ATOM 8 N SER A -1 18.292 5.374 -2.676 1.00 0.00 N ATOM 9 CA SER A -1 17.507 6.545 -3.030 1.00 0.00 C ATOM 10 C SER A -1 17.222 6.548 -4.533 1.00 0.00 C ATOM 11 O SER A -1 17.890 7.247 -5.293 1.00 0.00 O ATOM 12 CB SER A -1 18.226 7.833 -2.623 1.00 0.00 C ATOM 13 OG SER A -1 18.196 8.037 -1.213 1.00 0.00 O ATOM 0 H SER A -1 18.017 4.924 -1.803 1.00 0.00 H new ATOM 0 HA SER A -1 16.563 6.501 -2.488 1.00 0.00 H new ATOM 0 HB2 SER A -1 19.261 7.793 -2.962 1.00 0.00 H new ATOM 0 HB3 SER A -1 17.760 8.682 -3.122 1.00 0.00 H new ATOM 0 HG SER A -1 18.666 8.868 -0.993 1.00 0.00 H new ATOM 19 N HIS A 0 16.229 5.760 -4.916 1.00 0.00 N ATOM 20 CA HIS A 0 15.847 5.663 -6.315 1.00 0.00 C ATOM 21 C HIS A 0 14.648 4.724 -6.456 1.00 0.00 C ATOM 22 O HIS A 0 14.604 3.668 -5.826 1.00 0.00 O ATOM 23 CB HIS A 0 17.038 5.238 -7.175 1.00 0.00 C ATOM 24 CG HIS A 0 16.670 4.862 -8.591 1.00 0.00 C ATOM 25 ND1 HIS A 0 16.583 3.548 -9.019 1.00 0.00 N ATOM 26 CD2 HIS A 0 16.367 5.639 -9.669 1.00 0.00 C ATOM 27 CE1 HIS A 0 16.244 3.548 -10.300 1.00 0.00 C ATOM 28 NE2 HIS A 0 16.110 4.844 -10.701 1.00 0.00 N ATOM 0 H HIS A 0 15.677 5.182 -4.282 1.00 0.00 H new ATOM 0 HA HIS A 0 15.541 6.643 -6.681 1.00 0.00 H new ATOM 0 HB2 HIS A 0 17.762 6.052 -7.203 1.00 0.00 H new ATOM 0 HB3 HIS A 0 17.531 4.389 -6.701 1.00 0.00 H new ATOM 0 HD2 HIS A 0 16.340 6.719 -9.682 1.00 0.00 H new ATOM 0 HE1 HIS A 0 16.099 2.674 -10.918 1.00 0.00 H new ATOM 0 HE2 HIS A 0 15.854 5.152 -11.639 1.00 0.00 H new ATOM 36 N MET A 1 13.703 5.141 -7.286 1.00 0.00 N ATOM 37 CA MET A 1 12.507 4.350 -7.518 1.00 0.00 C ATOM 38 C MET A 1 11.744 4.856 -8.744 1.00 0.00 C ATOM 39 O MET A 1 11.990 5.964 -9.220 1.00 0.00 O ATOM 40 CB MET A 1 11.601 4.422 -6.287 1.00 0.00 C ATOM 41 CG MET A 1 10.488 5.453 -6.486 1.00 0.00 C ATOM 42 SD MET A 1 9.481 5.555 -5.016 1.00 0.00 S ATOM 43 CE MET A 1 8.764 3.920 -5.017 1.00 0.00 C ATOM 0 H MET A 1 13.742 6.017 -7.806 1.00 0.00 H new ATOM 0 HA MET A 1 12.806 3.318 -7.700 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.164 3.442 -6.095 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.193 4.685 -5.410 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.920 6.428 -6.709 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.871 5.174 -7.341 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.753 3.966 -5.423 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.372 3.257 -5.632 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.728 3.538 -3.997 1.00 0.00 H new ATOM 53 N ASP A 2 10.834 4.020 -9.222 1.00 0.00 N ATOM 54 CA ASP A 2 10.034 4.368 -10.383 1.00 0.00 C ATOM 55 C ASP A 2 8.838 3.418 -10.477 1.00 0.00 C ATOM 56 O ASP A 2 8.641 2.575 -9.604 1.00 0.00 O ATOM 57 CB ASP A 2 10.847 4.234 -11.672 1.00 0.00 C ATOM 58 CG ASP A 2 11.839 5.369 -11.932 1.00 0.00 C ATOM 59 OD1 ASP A 2 11.397 6.391 -12.499 1.00 0.00 O ATOM 60 OD2 ASP A 2 13.018 5.188 -11.558 1.00 0.00 O ATOM 0 H ASP A 2 10.633 3.102 -8.826 1.00 0.00 H new ATOM 0 HA ASP A 2 9.706 5.401 -10.269 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.395 3.292 -11.642 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.157 4.174 -12.514 1.00 0.00 H new ATOM 65 N LEU A 3 8.072 3.586 -11.545 1.00 0.00 N ATOM 66 CA LEU A 3 6.901 2.754 -11.764 1.00 0.00 C ATOM 67 C LEU A 3 7.348 1.328 -12.089 1.00 0.00 C ATOM 68 O LEU A 3 6.815 0.366 -11.539 1.00 0.00 O ATOM 69 CB LEU A 3 5.996 3.374 -12.831 1.00 0.00 C ATOM 70 CG LEU A 3 4.934 4.352 -12.324 1.00 0.00 C ATOM 71 CD1 LEU A 3 5.440 5.794 -12.393 1.00 0.00 C ATOM 72 CD2 LEU A 3 3.616 4.170 -13.079 1.00 0.00 C ATOM 0 H LEU A 3 8.239 4.286 -12.268 1.00 0.00 H new ATOM 0 HA LEU A 3 6.296 2.700 -10.859 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.624 3.894 -13.555 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.494 2.568 -13.366 1.00 0.00 H new ATOM 0 HG LEU A 3 4.737 4.130 -11.275 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.666 6.469 -12.027 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.333 5.896 -11.776 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.682 6.046 -13.426 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.878 4.877 -12.699 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.778 4.350 -14.142 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.251 3.153 -12.935 1.00 0.00 H new ATOM 84 N GLU A 4 8.322 1.236 -12.983 1.00 0.00 N ATOM 85 CA GLU A 4 8.847 -0.056 -13.388 1.00 0.00 C ATOM 86 C GLU A 4 9.269 -0.866 -12.161 1.00 0.00 C ATOM 87 O GLU A 4 8.946 -2.048 -12.051 1.00 0.00 O ATOM 88 CB GLU A 4 10.013 0.107 -14.366 1.00 0.00 C ATOM 89 CG GLU A 4 9.607 -0.316 -15.779 1.00 0.00 C ATOM 90 CD GLU A 4 10.759 -1.030 -16.489 1.00 0.00 C ATOM 91 OE1 GLU A 4 11.865 -0.447 -16.504 1.00 0.00 O ATOM 92 OE2 GLU A 4 10.508 -2.142 -17.001 1.00 0.00 O ATOM 0 H GLU A 4 8.761 2.036 -13.438 1.00 0.00 H new ATOM 0 HA GLU A 4 8.057 -0.601 -13.904 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.343 1.146 -14.374 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.859 -0.493 -14.032 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.740 -0.975 -15.730 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.308 0.561 -16.353 1.00 0.00 H new ATOM 99 N THR A 5 9.986 -0.198 -11.269 1.00 0.00 N ATOM 100 CA THR A 5 10.456 -0.841 -10.054 1.00 0.00 C ATOM 101 C THR A 5 9.284 -1.124 -9.112 1.00 0.00 C ATOM 102 O THR A 5 9.281 -2.129 -8.403 1.00 0.00 O ATOM 103 CB THR A 5 11.532 0.052 -9.433 1.00 0.00 C ATOM 104 OG1 THR A 5 12.759 -0.532 -9.864 1.00 0.00 O ATOM 105 CG2 THR A 5 11.581 -0.064 -7.908 1.00 0.00 C ATOM 0 H THR A 5 10.253 0.782 -11.364 1.00 0.00 H new ATOM 0 HA THR A 5 10.902 -1.812 -10.268 1.00 0.00 H new ATOM 0 HB THR A 5 11.348 1.089 -9.713 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.511 -0.014 -9.508 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.361 0.590 -7.518 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.618 0.230 -7.490 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.798 -1.095 -7.628 1.00 0.00 H new ATOM 113 N LEU A 6 8.316 -0.220 -9.136 1.00 0.00 N ATOM 114 CA LEU A 6 7.140 -0.360 -8.293 1.00 0.00 C ATOM 115 C LEU A 6 6.456 -1.694 -8.597 1.00 0.00 C ATOM 116 O LEU A 6 5.974 -2.370 -7.689 1.00 0.00 O ATOM 117 CB LEU A 6 6.220 0.853 -8.451 1.00 0.00 C ATOM 118 CG LEU A 6 6.425 1.985 -7.442 1.00 0.00 C ATOM 119 CD1 LEU A 6 7.884 2.060 -6.991 1.00 0.00 C ATOM 120 CD2 LEU A 6 5.929 3.318 -8.007 1.00 0.00 C ATOM 0 H LEU A 6 8.322 0.612 -9.726 1.00 0.00 H new ATOM 0 HA LEU A 6 7.425 -0.380 -7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.354 1.258 -9.454 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.187 0.512 -8.380 1.00 0.00 H new ATOM 0 HG LEU A 6 5.827 1.768 -6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.002 2.873 -6.274 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.169 1.118 -6.522 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.523 2.243 -7.855 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.086 4.106 -7.271 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.481 3.556 -8.916 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.866 3.243 -8.237 1.00 0.00 H new ATOM 132 N ARG A 7 6.436 -2.034 -9.878 1.00 0.00 N ATOM 133 CA ARG A 7 5.819 -3.276 -10.313 1.00 0.00 C ATOM 134 C ARG A 7 6.665 -4.472 -9.872 1.00 0.00 C ATOM 135 O ARG A 7 6.134 -5.458 -9.363 1.00 0.00 O ATOM 136 CB ARG A 7 5.657 -3.307 -11.834 1.00 0.00 C ATOM 137 CG ARG A 7 5.582 -1.890 -12.407 1.00 0.00 C ATOM 138 CD ARG A 7 4.600 -1.823 -13.578 1.00 0.00 C ATOM 139 NE ARG A 7 5.326 -1.511 -14.830 1.00 0.00 N ATOM 140 CZ ARG A 7 4.755 -1.483 -16.042 1.00 0.00 C ATOM 141 NH1 ARG A 7 3.448 -1.748 -16.173 1.00 0.00 N ATOM 142 NH2 ARG A 7 5.492 -1.190 -17.122 1.00 0.00 N ATOM 0 H ARG A 7 6.837 -1.471 -10.628 1.00 0.00 H new ATOM 0 HA ARG A 7 4.833 -3.335 -9.853 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.496 -3.840 -12.282 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.753 -3.857 -12.096 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.271 -1.195 -11.627 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.571 -1.575 -12.739 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.076 -2.773 -13.679 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.844 -1.061 -13.387 1.00 0.00 H new ATOM 0 HE ARG A 7 6.323 -1.305 -14.766 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.888 -1.971 -15.350 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.013 -1.727 -17.095 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.487 -0.989 -17.021 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.058 -1.168 -18.045 1.00 0.00 H new ATOM 156 N ALA A 8 7.966 -4.346 -10.084 1.00 0.00 N ATOM 157 CA ALA A 8 8.891 -5.404 -9.715 1.00 0.00 C ATOM 158 C ALA A 8 8.791 -5.661 -8.210 1.00 0.00 C ATOM 159 O ALA A 8 8.637 -6.803 -7.781 1.00 0.00 O ATOM 160 CB ALA A 8 10.307 -5.019 -10.149 1.00 0.00 C ATOM 0 H ALA A 8 8.402 -3.527 -10.507 1.00 0.00 H new ATOM 0 HA ALA A 8 8.635 -6.333 -10.225 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.001 -5.813 -9.872 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.330 -4.877 -11.229 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.600 -4.093 -9.655 1.00 0.00 H new ATOM 166 N ARG A 9 8.883 -4.579 -7.451 1.00 0.00 N ATOM 167 CA ARG A 9 8.806 -4.673 -6.003 1.00 0.00 C ATOM 168 C ARG A 9 7.383 -5.035 -5.570 1.00 0.00 C ATOM 169 O ARG A 9 7.190 -5.694 -4.550 1.00 0.00 O ATOM 170 CB ARG A 9 9.212 -3.354 -5.342 1.00 0.00 C ATOM 171 CG ARG A 9 8.307 -2.209 -5.801 1.00 0.00 C ATOM 172 CD ARG A 9 7.127 -2.027 -4.845 1.00 0.00 C ATOM 173 NE ARG A 9 7.617 -1.897 -3.454 1.00 0.00 N ATOM 174 CZ ARG A 9 6.828 -1.657 -2.399 1.00 0.00 C ATOM 175 NH1 ARG A 9 5.506 -1.518 -2.568 1.00 0.00 N ATOM 176 NH2 ARG A 9 7.361 -1.554 -1.173 1.00 0.00 N ATOM 0 H ARG A 9 9.010 -3.633 -7.811 1.00 0.00 H new ATOM 0 HA ARG A 9 9.497 -5.453 -5.685 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.156 -3.454 -4.258 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.249 -3.124 -5.588 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.882 -1.285 -5.854 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.938 -2.413 -6.806 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.557 -1.140 -5.123 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.451 -2.878 -4.923 1.00 0.00 H new ATOM 0 HE ARG A 9 8.619 -1.997 -3.289 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.100 -1.595 -3.501 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.906 -1.335 -1.764 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.367 -1.658 -1.044 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.760 -1.371 -0.369 1.00 0.00 H new ATOM 190 N ARG A 10 6.424 -4.588 -6.368 1.00 0.00 N ATOM 191 CA ARG A 10 5.026 -4.856 -6.080 1.00 0.00 C ATOM 192 C ARG A 10 4.793 -6.361 -5.935 1.00 0.00 C ATOM 193 O ARG A 10 4.139 -6.804 -4.992 1.00 0.00 O ATOM 194 CB ARG A 10 4.121 -4.311 -7.188 1.00 0.00 C ATOM 195 CG ARG A 10 3.194 -3.219 -6.650 1.00 0.00 C ATOM 196 CD ARG A 10 3.438 -1.890 -7.368 1.00 0.00 C ATOM 197 NE ARG A 10 4.225 -0.984 -6.502 1.00 0.00 N ATOM 198 CZ ARG A 10 3.756 -0.425 -5.378 1.00 0.00 C ATOM 199 NH1 ARG A 10 2.502 -0.674 -4.978 1.00 0.00 N ATOM 200 NH2 ARG A 10 4.541 0.385 -4.655 1.00 0.00 N ATOM 0 H ARG A 10 6.588 -4.042 -7.214 1.00 0.00 H new ATOM 0 HA ARG A 10 4.778 -4.355 -5.144 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.732 -3.909 -7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.527 -5.122 -7.610 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.155 -3.522 -6.781 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.357 -3.093 -5.580 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.969 -2.065 -8.304 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.486 -1.425 -7.624 1.00 0.00 H new ATOM 0 HE ARG A 10 5.184 -0.772 -6.778 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.904 -1.289 -5.529 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.146 -0.248 -4.122 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.495 0.576 -4.960 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.184 0.811 -3.799 1.00 0.00 H new ATOM 214 N GLU A 11 5.341 -7.106 -6.884 1.00 0.00 N ATOM 215 CA GLU A 11 5.201 -8.553 -6.874 1.00 0.00 C ATOM 216 C GLU A 11 5.791 -9.134 -5.587 1.00 0.00 C ATOM 217 O GLU A 11 5.193 -10.011 -4.966 1.00 0.00 O ATOM 218 CB GLU A 11 5.855 -9.176 -8.108 1.00 0.00 C ATOM 219 CG GLU A 11 4.800 -9.627 -9.120 1.00 0.00 C ATOM 220 CD GLU A 11 5.252 -10.889 -9.857 1.00 0.00 C ATOM 221 OE1 GLU A 11 6.272 -10.793 -10.574 1.00 0.00 O ATOM 222 OE2 GLU A 11 4.566 -11.921 -9.688 1.00 0.00 O ATOM 0 H GLU A 11 5.883 -6.735 -7.665 1.00 0.00 H new ATOM 0 HA GLU A 11 4.139 -8.796 -6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.524 -8.452 -8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.465 -10.028 -7.809 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.858 -9.819 -8.607 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.615 -8.828 -9.838 1.00 0.00 H new ATOM 229 N ALA A 12 6.959 -8.622 -5.226 1.00 0.00 N ATOM 230 CA ALA A 12 7.637 -9.079 -4.025 1.00 0.00 C ATOM 231 C ALA A 12 6.890 -8.561 -2.794 1.00 0.00 C ATOM 232 O ALA A 12 6.811 -9.248 -1.777 1.00 0.00 O ATOM 233 CB ALA A 12 9.096 -8.621 -4.057 1.00 0.00 C ATOM 0 H ALA A 12 7.453 -7.895 -5.744 1.00 0.00 H new ATOM 0 HA ALA A 12 7.638 -10.168 -3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.605 -8.964 -3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.590 -9.040 -4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.135 -7.533 -4.104 1.00 0.00 H new ATOM 239 N VAL A 13 6.360 -7.354 -2.927 1.00 0.00 N ATOM 240 CA VAL A 13 5.622 -6.736 -1.839 1.00 0.00 C ATOM 241 C VAL A 13 4.329 -7.518 -1.596 1.00 0.00 C ATOM 242 O VAL A 13 3.891 -7.662 -0.456 1.00 0.00 O ATOM 243 CB VAL A 13 5.378 -5.257 -2.145 1.00 0.00 C ATOM 244 CG1 VAL A 13 4.226 -4.706 -1.303 1.00 0.00 C ATOM 245 CG2 VAL A 13 6.652 -4.436 -1.935 1.00 0.00 C ATOM 0 H VAL A 13 6.427 -6.787 -3.772 1.00 0.00 H new ATOM 0 HA VAL A 13 6.201 -6.771 -0.916 1.00 0.00 H new ATOM 0 HB VAL A 13 5.095 -5.174 -3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.073 -3.653 -1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.315 -5.263 -1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.467 -4.809 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.451 -3.388 -2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.978 -4.529 -0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.436 -4.805 -2.597 1.00 0.00 H new ATOM 255 N LEU A 14 3.755 -8.002 -2.688 1.00 0.00 N ATOM 256 CA LEU A 14 2.521 -8.765 -2.608 1.00 0.00 C ATOM 257 C LEU A 14 2.775 -10.058 -1.830 1.00 0.00 C ATOM 258 O LEU A 14 1.931 -10.491 -1.047 1.00 0.00 O ATOM 259 CB LEU A 14 1.941 -8.993 -4.005 1.00 0.00 C ATOM 260 CG LEU A 14 1.089 -7.855 -4.571 1.00 0.00 C ATOM 261 CD1 LEU A 14 -0.399 -8.208 -4.524 1.00 0.00 C ATOM 262 CD2 LEU A 14 1.388 -6.537 -3.854 1.00 0.00 C ATOM 0 H LEU A 14 4.121 -7.881 -3.632 1.00 0.00 H new ATOM 0 HA LEU A 14 1.763 -8.206 -2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.765 -9.180 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.334 -9.898 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 14 1.355 -7.719 -5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.982 -7.382 -4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.579 -9.106 -5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.698 -8.388 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.769 -5.745 -4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.168 -6.643 -2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.440 -6.283 -3.983 1.00 0.00 H new ATOM 274 N SER A 15 3.942 -10.637 -2.072 1.00 0.00 N ATOM 275 CA SER A 15 4.317 -11.871 -1.404 1.00 0.00 C ATOM 276 C SER A 15 4.440 -11.634 0.103 1.00 0.00 C ATOM 277 O SER A 15 3.984 -12.450 0.902 1.00 0.00 O ATOM 278 CB SER A 15 5.630 -12.423 -1.963 1.00 0.00 C ATOM 279 OG SER A 15 5.567 -13.829 -2.185 1.00 0.00 O ATOM 0 H SER A 15 4.640 -10.274 -2.721 1.00 0.00 H new ATOM 0 HA SER A 15 3.536 -12.610 -1.587 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.866 -11.918 -2.900 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.441 -12.202 -1.269 1.00 0.00 H new ATOM 0 HG SER A 15 6.424 -14.142 -2.543 1.00 0.00 H new ATOM 285 N LEU A 16 5.059 -10.513 0.444 1.00 0.00 N ATOM 286 CA LEU A 16 5.247 -10.158 1.841 1.00 0.00 C ATOM 287 C LEU A 16 3.924 -9.651 2.417 1.00 0.00 C ATOM 288 O LEU A 16 3.647 -9.834 3.601 1.00 0.00 O ATOM 289 CB LEU A 16 6.403 -9.168 1.990 1.00 0.00 C ATOM 290 CG LEU A 16 6.290 -7.877 1.176 1.00 0.00 C ATOM 291 CD1 LEU A 16 5.351 -6.880 1.857 1.00 0.00 C ATOM 292 CD2 LEU A 16 7.671 -7.274 0.910 1.00 0.00 C ATOM 0 H LEU A 16 5.437 -9.839 -0.222 1.00 0.00 H new ATOM 0 HA LEU A 16 5.532 -11.035 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.495 -8.903 3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.326 -9.673 1.707 1.00 0.00 H new ATOM 0 HG LEU A 16 5.853 -8.121 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.289 -5.971 1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.359 -7.321 1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.736 -6.636 2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.562 -6.358 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.158 -7.047 1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.278 -7.987 0.352 1.00 0.00 H new ATOM 304 N CYS A 17 3.141 -9.023 1.552 1.00 0.00 N ATOM 305 CA CYS A 17 1.853 -8.488 1.960 1.00 0.00 C ATOM 306 C CYS A 17 1.024 -9.629 2.552 1.00 0.00 C ATOM 307 O CYS A 17 0.362 -9.454 3.574 1.00 0.00 O ATOM 308 CB CYS A 17 1.132 -7.802 0.797 1.00 0.00 C ATOM 309 SG CYS A 17 -0.090 -8.946 0.057 1.00 0.00 S ATOM 0 H CYS A 17 3.374 -8.873 0.570 1.00 0.00 H new ATOM 0 HA CYS A 17 2.000 -7.717 2.717 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.631 -6.900 1.150 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.855 -7.491 0.043 1.00 0.00 H new ATOM 0 HG CYS A 17 0.523 -9.991 -0.413 1.00 0.00 H new ATOM 315 N ALA A 18 1.088 -10.772 1.885 1.00 0.00 N ATOM 316 CA ALA A 18 0.352 -11.942 2.333 1.00 0.00 C ATOM 317 C ALA A 18 0.968 -12.459 3.635 1.00 0.00 C ATOM 318 O ALA A 18 0.261 -12.984 4.495 1.00 0.00 O ATOM 319 CB ALA A 18 0.352 -12.999 1.228 1.00 0.00 C ATOM 0 H ALA A 18 1.638 -10.913 1.038 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.687 -11.686 2.539 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.200 -13.877 1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.122 -12.592 0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.379 -13.283 0.996 1.00 0.00 H new ATOM 325 N ARG A 19 2.278 -12.294 3.739 1.00 0.00 N ATOM 326 CA ARG A 19 2.997 -12.738 4.921 1.00 0.00 C ATOM 327 C ARG A 19 2.714 -11.801 6.097 1.00 0.00 C ATOM 328 O ARG A 19 2.606 -12.247 7.238 1.00 0.00 O ATOM 329 CB ARG A 19 4.505 -12.782 4.665 1.00 0.00 C ATOM 330 CG ARG A 19 4.945 -14.179 4.225 1.00 0.00 C ATOM 331 CD ARG A 19 5.961 -14.100 3.083 1.00 0.00 C ATOM 332 NE ARG A 19 6.808 -15.314 3.074 1.00 0.00 N ATOM 333 CZ ARG A 19 6.391 -16.518 2.659 1.00 0.00 C ATOM 334 NH1 ARG A 19 5.136 -16.676 2.217 1.00 0.00 N ATOM 335 NH2 ARG A 19 7.229 -17.563 2.686 1.00 0.00 N ATOM 0 H ARG A 19 2.861 -11.859 3.024 1.00 0.00 H new ATOM 0 HA ARG A 19 2.651 -13.744 5.161 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.769 -12.055 3.897 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.040 -12.497 5.571 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.383 -14.709 5.070 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.076 -14.754 3.904 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.442 -14.002 2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.584 -13.213 3.200 1.00 0.00 H new ATOM 0 HE ARG A 19 7.769 -15.229 3.404 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.499 -15.880 2.196 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.818 -17.592 1.901 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.184 -17.442 3.022 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.912 -18.479 2.370 1.00 0.00 H new ATOM 349 N HIS A 20 2.602 -10.520 5.779 1.00 0.00 N ATOM 350 CA HIS A 20 2.333 -9.517 6.795 1.00 0.00 C ATOM 351 C HIS A 20 0.826 -9.429 7.044 1.00 0.00 C ATOM 352 O HIS A 20 0.367 -8.573 7.798 1.00 0.00 O ATOM 353 CB HIS A 20 2.949 -8.171 6.406 1.00 0.00 C ATOM 354 CG HIS A 20 4.459 -8.170 6.384 1.00 0.00 C ATOM 355 ND1 HIS A 20 5.336 -8.251 5.343 1.00 0.00 N flip ATOM 356 CD2 HIS A 20 5.225 -8.079 7.533 1.00 0.00 C flip ATOM 357 CE1 HIS A 20 6.570 -8.210 5.829 1.00 0.00 C flip ATOM 358 NE2 HIS A 20 6.504 -8.104 7.187 1.00 0.00 N flip ATOM 0 H HIS A 20 2.693 -10.153 4.831 1.00 0.00 H new ATOM 0 HA HIS A 20 2.804 -9.810 7.733 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.581 -7.886 5.420 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.606 -7.410 7.107 1.00 0.00 H new ATOM 0 HD1 HIS A 20 5.086 -8.330 4.357 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.845 -8.001 8.541 1.00 0.00 H new ATOM 0 HE1 HIS A 20 7.478 -8.253 5.245 1.00 0.00 H new ATOM 366 N GLY A 21 0.099 -10.327 6.396 1.00 0.00 N ATOM 367 CA GLY A 21 -1.347 -10.361 6.537 1.00 0.00 C ATOM 368 C GLY A 21 -2.004 -9.241 5.729 1.00 0.00 C ATOM 369 O GLY A 21 -2.500 -8.269 6.297 1.00 0.00 O ATOM 0 H GLY A 21 0.484 -11.036 5.772 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.726 -11.326 6.202 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.616 -10.261 7.589 1.00 0.00 H new ATOM 373 N ALA A 22 -1.987 -9.415 4.415 1.00 0.00 N ATOM 374 CA ALA A 22 -2.575 -8.430 3.523 1.00 0.00 C ATOM 375 C ALA A 22 -3.296 -9.150 2.381 1.00 0.00 C ATOM 376 O ALA A 22 -2.654 -9.728 1.504 1.00 0.00 O ATOM 377 CB ALA A 22 -1.486 -7.482 3.019 1.00 0.00 C ATOM 0 H ALA A 22 -1.576 -10.223 3.947 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.313 -7.826 4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.928 -6.743 2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.025 -6.974 3.866 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.728 -8.052 2.481 1.00 0.00 H new ATOM 383 N VAL A 23 -4.618 -9.091 2.427 1.00 0.00 N ATOM 384 CA VAL A 23 -5.432 -9.730 1.407 1.00 0.00 C ATOM 385 C VAL A 23 -5.838 -8.691 0.360 1.00 0.00 C ATOM 386 O VAL A 23 -5.603 -8.882 -0.832 1.00 0.00 O ATOM 387 CB VAL A 23 -6.632 -10.425 2.055 1.00 0.00 C ATOM 388 CG1 VAL A 23 -6.177 -11.407 3.137 1.00 0.00 C ATOM 389 CG2 VAL A 23 -7.619 -9.403 2.621 1.00 0.00 C ATOM 0 H VAL A 23 -5.147 -8.610 3.155 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.862 -10.504 0.893 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.148 -10.994 1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.048 -11.888 3.582 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.532 -12.165 2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.626 -10.869 3.908 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.462 -9.924 3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.120 -8.794 3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.980 -8.762 1.817 1.00 0.00 H new ATOM 399 N ARG A 24 -6.440 -7.614 0.843 1.00 0.00 N ATOM 400 CA ARG A 24 -6.880 -6.545 -0.037 1.00 0.00 C ATOM 401 C ARG A 24 -5.685 -5.706 -0.492 1.00 0.00 C ATOM 402 O ARG A 24 -5.486 -4.590 -0.013 1.00 0.00 O ATOM 403 CB ARG A 24 -7.894 -5.637 0.663 1.00 0.00 C ATOM 404 CG ARG A 24 -9.327 -6.039 0.307 1.00 0.00 C ATOM 405 CD ARG A 24 -10.250 -5.912 1.521 1.00 0.00 C ATOM 406 NE ARG A 24 -11.007 -7.168 1.715 1.00 0.00 N ATOM 407 CZ ARG A 24 -12.147 -7.258 2.413 1.00 0.00 C ATOM 408 NH1 ARG A 24 -12.668 -6.166 2.988 1.00 0.00 N ATOM 409 NH2 ARG A 24 -12.765 -8.441 2.537 1.00 0.00 N ATOM 0 H ARG A 24 -6.633 -7.459 1.832 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.357 -7.004 -0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.754 -5.694 1.742 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.720 -4.601 0.373 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.695 -5.408 -0.502 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.340 -7.066 -0.059 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.663 -5.690 2.412 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.940 -5.080 1.378 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.638 -8.019 1.291 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.197 -5.266 2.894 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.536 -6.234 3.519 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.367 -9.272 2.100 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.633 -8.510 3.068 1.00 0.00 H new ATOM 423 N VAL A 25 -4.919 -6.274 -1.412 1.00 0.00 N ATOM 424 CA VAL A 25 -3.749 -5.593 -1.938 1.00 0.00 C ATOM 425 C VAL A 25 -4.168 -4.688 -3.098 1.00 0.00 C ATOM 426 O VAL A 25 -4.571 -5.174 -4.154 1.00 0.00 O ATOM 427 CB VAL A 25 -2.681 -6.615 -2.332 1.00 0.00 C ATOM 428 CG1 VAL A 25 -1.277 -6.079 -2.048 1.00 0.00 C ATOM 429 CG2 VAL A 25 -2.912 -7.951 -1.623 1.00 0.00 C ATOM 0 H VAL A 25 -5.087 -7.199 -1.807 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.303 -4.956 -1.174 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.763 -6.787 -3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.537 -6.825 -2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.114 -5.166 -2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.178 -5.864 -0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.139 -8.659 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.872 -7.802 -0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.890 -8.345 -1.898 1.00 0.00 H new ATOM 439 N ARG A 26 -4.059 -3.389 -2.863 1.00 0.00 N ATOM 440 CA ARG A 26 -4.423 -2.412 -3.876 1.00 0.00 C ATOM 441 C ARG A 26 -3.609 -1.130 -3.693 1.00 0.00 C ATOM 442 O ARG A 26 -3.146 -0.836 -2.592 1.00 0.00 O ATOM 443 CB ARG A 26 -5.914 -2.076 -3.808 1.00 0.00 C ATOM 444 CG ARG A 26 -6.658 -2.638 -5.021 1.00 0.00 C ATOM 445 CD ARG A 26 -8.149 -2.806 -4.719 1.00 0.00 C ATOM 446 NE ARG A 26 -8.954 -2.071 -5.721 1.00 0.00 N ATOM 447 CZ ARG A 26 -10.293 -2.090 -5.768 1.00 0.00 C ATOM 448 NH1 ARG A 26 -10.985 -2.806 -4.872 1.00 0.00 N ATOM 449 NH2 ARG A 26 -10.940 -1.392 -6.712 1.00 0.00 N ATOM 0 H ARG A 26 -3.724 -2.990 -1.986 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.206 -2.849 -4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.341 -2.486 -2.893 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.045 -0.995 -3.765 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.529 -1.971 -5.873 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.229 -3.600 -5.302 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.414 -3.863 -4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.370 -2.434 -3.719 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.459 -1.516 -6.419 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.493 -3.337 -4.154 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.004 -2.820 -4.908 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.413 -0.847 -7.394 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.959 -1.406 -6.748 1.00 0.00 H new ATOM 463 N VAL A 27 -3.459 -0.400 -4.789 1.00 0.00 N ATOM 464 CA VAL A 27 -2.709 0.844 -4.762 1.00 0.00 C ATOM 465 C VAL A 27 -3.620 1.993 -5.201 1.00 0.00 C ATOM 466 O VAL A 27 -4.054 2.041 -6.351 1.00 0.00 O ATOM 467 CB VAL A 27 -1.452 0.716 -5.624 1.00 0.00 C ATOM 468 CG1 VAL A 27 -1.766 0.025 -6.953 1.00 0.00 C ATOM 469 CG2 VAL A 27 -0.804 2.082 -5.855 1.00 0.00 C ATOM 0 H VAL A 27 -3.844 -0.646 -5.701 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.372 1.065 -3.749 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.738 0.094 -5.084 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.855 -0.053 -7.547 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.160 -0.973 -6.760 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.507 0.608 -7.500 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.088 1.962 -6.471 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.510 2.739 -6.363 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.527 2.520 -4.896 1.00 0.00 H new ATOM 479 N PHE A 28 -3.883 2.889 -4.262 1.00 0.00 N ATOM 480 CA PHE A 28 -4.734 4.034 -4.538 1.00 0.00 C ATOM 481 C PHE A 28 -3.996 5.346 -4.260 1.00 0.00 C ATOM 482 O PHE A 28 -3.149 5.409 -3.370 1.00 0.00 O ATOM 483 CB PHE A 28 -5.939 3.932 -3.600 1.00 0.00 C ATOM 484 CG PHE A 28 -5.649 4.376 -2.165 1.00 0.00 C ATOM 485 CD1 PHE A 28 -5.093 3.503 -1.282 1.00 0.00 C ATOM 486 CD2 PHE A 28 -5.948 5.643 -1.771 1.00 0.00 C ATOM 487 CE1 PHE A 28 -4.824 3.914 0.050 1.00 0.00 C ATOM 488 CE2 PHE A 28 -5.680 6.054 -0.439 1.00 0.00 C ATOM 489 CZ PHE A 28 -5.123 5.181 0.444 1.00 0.00 C ATOM 0 H PHE A 28 -3.522 2.846 -3.309 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.033 4.031 -5.586 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.751 4.539 -4.000 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.290 2.900 -3.586 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.856 2.497 -1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.389 6.336 -2.472 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.382 3.221 0.750 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.918 7.060 -0.126 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.918 5.494 1.457 1.00 0.00 H new ATOM 499 N GLY A 29 -4.345 6.360 -5.038 1.00 0.00 N ATOM 500 CA GLY A 29 -3.726 7.666 -4.887 1.00 0.00 C ATOM 501 C GLY A 29 -3.012 8.087 -6.173 1.00 0.00 C ATOM 502 O GLY A 29 -3.224 7.491 -7.228 1.00 0.00 O ATOM 0 H GLY A 29 -5.048 6.304 -5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.485 8.405 -4.630 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.013 7.641 -4.063 1.00 0.00 H new ATOM 506 N SER A 30 -2.180 9.109 -6.042 1.00 0.00 N ATOM 507 CA SER A 30 -1.433 9.617 -7.181 1.00 0.00 C ATOM 508 C SER A 30 -0.576 8.501 -7.783 1.00 0.00 C ATOM 509 O SER A 30 -0.385 8.448 -8.997 1.00 0.00 O ATOM 510 CB SER A 30 -0.555 10.803 -6.779 1.00 0.00 C ATOM 511 OG SER A 30 -0.375 10.880 -5.368 1.00 0.00 O ATOM 0 H SER A 30 -2.006 9.600 -5.165 1.00 0.00 H new ATOM 0 HA SER A 30 -2.144 9.965 -7.930 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.417 10.715 -7.264 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.008 11.727 -7.138 1.00 0.00 H new ATOM 0 HG SER A 30 0.193 11.649 -5.152 1.00 0.00 H new ATOM 517 N VAL A 31 -0.084 7.638 -6.907 1.00 0.00 N ATOM 518 CA VAL A 31 0.748 6.528 -7.337 1.00 0.00 C ATOM 519 C VAL A 31 -0.066 5.611 -8.253 1.00 0.00 C ATOM 520 O VAL A 31 0.471 5.038 -9.200 1.00 0.00 O ATOM 521 CB VAL A 31 1.321 5.800 -6.119 1.00 0.00 C ATOM 522 CG1 VAL A 31 1.895 4.438 -6.514 1.00 0.00 C ATOM 523 CG2 VAL A 31 2.376 6.656 -5.415 1.00 0.00 C ATOM 0 H VAL A 31 -0.246 7.685 -5.901 1.00 0.00 H new ATOM 0 HA VAL A 31 1.600 6.890 -7.913 1.00 0.00 H new ATOM 0 HB VAL A 31 0.505 5.629 -5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.296 3.942 -5.630 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.107 3.823 -6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.692 4.577 -7.244 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.767 6.115 -4.553 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.190 6.873 -6.107 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.924 7.590 -5.083 1.00 0.00 H new ATOM 533 N ALA A 32 -1.348 5.501 -7.939 1.00 0.00 N ATOM 534 CA ALA A 32 -2.241 4.664 -8.721 1.00 0.00 C ATOM 535 C ALA A 32 -2.236 5.140 -10.175 1.00 0.00 C ATOM 536 O ALA A 32 -2.223 4.327 -11.098 1.00 0.00 O ATOM 537 CB ALA A 32 -3.641 4.694 -8.103 1.00 0.00 C ATOM 0 H ALA A 32 -1.790 5.978 -7.153 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.902 3.628 -8.712 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.311 4.066 -8.690 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.595 4.320 -7.080 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.015 5.718 -8.098 1.00 0.00 H new ATOM 543 N ARG A 33 -2.247 6.455 -10.334 1.00 0.00 N ATOM 544 CA ARG A 33 -2.243 7.049 -11.660 1.00 0.00 C ATOM 545 C ARG A 33 -0.830 7.032 -12.246 1.00 0.00 C ATOM 546 O ARG A 33 -0.619 7.455 -13.381 1.00 0.00 O ATOM 547 CB ARG A 33 -2.754 8.491 -11.620 1.00 0.00 C ATOM 548 CG ARG A 33 -4.144 8.598 -12.248 1.00 0.00 C ATOM 549 CD ARG A 33 -4.075 8.420 -13.766 1.00 0.00 C ATOM 550 NE ARG A 33 -4.714 9.572 -14.441 1.00 0.00 N ATOM 551 CZ ARG A 33 -4.799 9.712 -15.771 1.00 0.00 C ATOM 552 NH1 ARG A 33 -4.286 8.773 -16.577 1.00 0.00 N ATOM 553 NH2 ARG A 33 -5.396 10.791 -16.294 1.00 0.00 N ATOM 0 H ARG A 33 -2.259 7.126 -9.566 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.908 6.457 -12.289 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.790 8.839 -10.588 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.060 9.141 -12.152 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.800 7.841 -11.819 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.580 9.569 -12.012 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.036 8.333 -14.083 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.575 7.496 -14.055 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.115 10.306 -13.857 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.831 7.952 -16.178 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.351 8.879 -17.589 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.786 11.506 -15.680 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.461 10.898 -17.306 1.00 0.00 H new ATOM 567 N GLY A 34 0.103 6.539 -11.444 1.00 0.00 N ATOM 568 CA GLY A 34 1.490 6.461 -11.868 1.00 0.00 C ATOM 569 C GLY A 34 2.210 7.791 -11.636 1.00 0.00 C ATOM 570 O GLY A 34 3.114 8.152 -12.388 1.00 0.00 O ATOM 0 H GLY A 34 -0.075 6.190 -10.502 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.998 5.668 -11.319 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.537 6.198 -12.925 1.00 0.00 H new ATOM 574 N GLU A 35 1.782 8.484 -10.591 1.00 0.00 N ATOM 575 CA GLU A 35 2.374 9.767 -10.250 1.00 0.00 C ATOM 576 C GLU A 35 2.861 9.758 -8.800 1.00 0.00 C ATOM 577 O GLU A 35 2.106 9.419 -7.890 1.00 0.00 O ATOM 578 CB GLU A 35 1.384 10.909 -10.489 1.00 0.00 C ATOM 579 CG GLU A 35 1.673 12.088 -9.559 1.00 0.00 C ATOM 580 CD GLU A 35 3.075 12.649 -9.804 1.00 0.00 C ATOM 581 OE1 GLU A 35 3.864 11.937 -10.462 1.00 0.00 O ATOM 582 OE2 GLU A 35 3.327 13.777 -9.326 1.00 0.00 O ATOM 0 H GLU A 35 1.032 8.181 -9.969 1.00 0.00 H new ATOM 0 HA GLU A 35 3.233 9.933 -10.900 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.445 11.236 -11.527 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.367 10.553 -10.326 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.931 12.871 -9.717 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.582 11.768 -8.521 1.00 0.00 H new ATOM 589 N ALA A 36 4.120 10.134 -8.630 1.00 0.00 N ATOM 590 CA ALA A 36 4.717 10.174 -7.306 1.00 0.00 C ATOM 591 C ALA A 36 5.945 11.086 -7.332 1.00 0.00 C ATOM 592 O ALA A 36 6.588 11.238 -8.370 1.00 0.00 O ATOM 593 CB ALA A 36 5.056 8.751 -6.856 1.00 0.00 C ATOM 0 H ALA A 36 4.743 10.414 -9.387 1.00 0.00 H new ATOM 0 HA ALA A 36 4.016 10.587 -6.581 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.504 8.780 -5.863 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.146 8.152 -6.826 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.760 8.305 -7.558 1.00 0.00 H new ATOM 599 N ARG A 37 6.235 11.668 -6.178 1.00 0.00 N ATOM 600 CA ARG A 37 7.374 12.561 -6.055 1.00 0.00 C ATOM 601 C ARG A 37 8.081 12.339 -4.716 1.00 0.00 C ATOM 602 O ARG A 37 7.665 11.495 -3.923 1.00 0.00 O ATOM 603 CB ARG A 37 6.942 14.025 -6.158 1.00 0.00 C ATOM 604 CG ARG A 37 5.698 14.290 -5.308 1.00 0.00 C ATOM 605 CD ARG A 37 4.968 15.549 -5.781 1.00 0.00 C ATOM 606 NE ARG A 37 3.628 15.193 -6.297 1.00 0.00 N ATOM 607 CZ ARG A 37 2.854 16.022 -7.012 1.00 0.00 C ATOM 608 NH1 ARG A 37 3.283 17.258 -7.299 1.00 0.00 N ATOM 609 NH2 ARG A 37 1.652 15.614 -7.439 1.00 0.00 N ATOM 0 H ARG A 37 5.700 11.538 -5.319 1.00 0.00 H new ATOM 0 HA ARG A 37 8.058 12.338 -6.873 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.756 14.672 -5.830 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.736 14.275 -7.199 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.026 13.433 -5.363 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.985 14.403 -4.263 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.873 16.256 -4.957 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.547 16.044 -6.560 1.00 0.00 H new ATOM 0 HE ARG A 37 3.271 14.259 -6.096 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.198 17.568 -6.974 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.694 17.889 -7.843 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.326 14.673 -7.220 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.063 16.245 -7.983 1.00 0.00 H new ATOM 623 N GLU A 38 9.137 13.110 -4.506 1.00 0.00 N ATOM 624 CA GLU A 38 9.906 13.008 -3.277 1.00 0.00 C ATOM 625 C GLU A 38 9.314 13.924 -2.203 1.00 0.00 C ATOM 626 O GLU A 38 9.814 13.974 -1.081 1.00 0.00 O ATOM 627 CB GLU A 38 11.380 13.333 -3.523 1.00 0.00 C ATOM 628 CG GLU A 38 11.974 12.411 -4.590 1.00 0.00 C ATOM 629 CD GLU A 38 12.553 11.143 -3.958 1.00 0.00 C ATOM 630 OE1 GLU A 38 13.747 11.186 -3.592 1.00 0.00 O ATOM 631 OE2 GLU A 38 11.788 10.160 -3.855 1.00 0.00 O ATOM 0 H GLU A 38 9.479 13.808 -5.166 1.00 0.00 H new ATOM 0 HA GLU A 38 9.850 11.979 -2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.479 14.372 -3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.939 13.227 -2.594 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.204 12.142 -5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.755 12.938 -5.137 1.00 0.00 H new ATOM 638 N ASP A 39 8.257 14.625 -2.586 1.00 0.00 N ATOM 639 CA ASP A 39 7.592 15.537 -1.670 1.00 0.00 C ATOM 640 C ASP A 39 6.256 14.931 -1.236 1.00 0.00 C ATOM 641 O ASP A 39 5.582 15.470 -0.359 1.00 0.00 O ATOM 642 CB ASP A 39 7.306 16.881 -2.342 1.00 0.00 C ATOM 643 CG ASP A 39 8.499 17.510 -3.064 1.00 0.00 C ATOM 644 OD1 ASP A 39 9.406 17.990 -2.350 1.00 0.00 O ATOM 645 OD2 ASP A 39 8.478 17.498 -4.314 1.00 0.00 O ATOM 0 H ASP A 39 7.845 14.580 -3.518 1.00 0.00 H new ATOM 0 HA ASP A 39 8.248 15.695 -0.814 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.496 16.746 -3.059 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.949 17.580 -1.585 1.00 0.00 H new ATOM 650 N SER A 40 5.912 13.820 -1.870 1.00 0.00 N ATOM 651 CA SER A 40 4.669 13.136 -1.560 1.00 0.00 C ATOM 652 C SER A 40 4.964 11.783 -0.909 1.00 0.00 C ATOM 653 O SER A 40 6.124 11.429 -0.704 1.00 0.00 O ATOM 654 CB SER A 40 3.816 12.946 -2.816 1.00 0.00 C ATOM 655 OG SER A 40 3.167 14.152 -3.208 1.00 0.00 O ATOM 0 H SER A 40 6.473 13.376 -2.597 1.00 0.00 H new ATOM 0 HA SER A 40 4.105 13.753 -0.861 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.446 12.592 -3.632 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.068 12.175 -2.633 1.00 0.00 H new ATOM 0 HG SER A 40 2.634 13.990 -4.014 1.00 0.00 H new ATOM 661 N ASP A 41 3.894 11.064 -0.603 1.00 0.00 N ATOM 662 CA ASP A 41 4.024 9.758 0.021 1.00 0.00 C ATOM 663 C ASP A 41 3.267 8.722 -0.813 1.00 0.00 C ATOM 664 O ASP A 41 2.575 9.073 -1.767 1.00 0.00 O ATOM 665 CB ASP A 41 3.427 9.758 1.430 1.00 0.00 C ATOM 666 CG ASP A 41 3.548 11.084 2.183 1.00 0.00 C ATOM 667 OD1 ASP A 41 2.986 12.078 1.675 1.00 0.00 O ATOM 668 OD2 ASP A 41 4.201 11.074 3.249 1.00 0.00 O ATOM 0 H ASP A 41 2.934 11.361 -0.775 1.00 0.00 H new ATOM 0 HA ASP A 41 5.085 9.516 0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.372 9.491 1.362 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.916 8.979 2.015 1.00 0.00 H new ATOM 673 N LEU A 42 3.423 7.466 -0.422 1.00 0.00 N ATOM 674 CA LEU A 42 2.763 6.376 -1.121 1.00 0.00 C ATOM 675 C LEU A 42 1.543 5.925 -0.316 1.00 0.00 C ATOM 676 O LEU A 42 1.665 5.559 0.851 1.00 0.00 O ATOM 677 CB LEU A 42 3.755 5.250 -1.417 1.00 0.00 C ATOM 678 CG LEU A 42 3.152 3.944 -1.938 1.00 0.00 C ATOM 679 CD1 LEU A 42 2.343 3.240 -0.847 1.00 0.00 C ATOM 680 CD2 LEU A 42 2.321 4.188 -3.199 1.00 0.00 C ATOM 0 H LEU A 42 3.997 7.178 0.370 1.00 0.00 H new ATOM 0 HA LEU A 42 2.399 6.711 -2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.476 5.612 -2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.310 5.032 -0.504 1.00 0.00 H new ATOM 0 HG LEU A 42 3.969 3.278 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.925 2.315 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.993 3.012 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.534 3.891 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.904 3.243 -3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.511 4.881 -2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.956 4.614 -3.976 1.00 0.00 H new ATOM 692 N ASP A 43 0.393 5.965 -0.973 1.00 0.00 N ATOM 693 CA ASP A 43 -0.849 5.564 -0.334 1.00 0.00 C ATOM 694 C ASP A 43 -1.232 4.161 -0.807 1.00 0.00 C ATOM 695 O ASP A 43 -1.486 3.949 -1.992 1.00 0.00 O ATOM 696 CB ASP A 43 -1.990 6.515 -0.702 1.00 0.00 C ATOM 697 CG ASP A 43 -1.840 7.941 -0.168 1.00 0.00 C ATOM 698 OD1 ASP A 43 -2.011 8.109 1.059 1.00 0.00 O ATOM 699 OD2 ASP A 43 -1.559 8.832 -0.999 1.00 0.00 O ATOM 0 H ASP A 43 0.295 6.269 -1.942 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.695 5.586 0.745 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.072 6.556 -1.788 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.925 6.099 -0.327 1.00 0.00 H new ATOM 704 N LEU A 44 -1.261 3.238 0.143 1.00 0.00 N ATOM 705 CA LEU A 44 -1.609 1.860 -0.162 1.00 0.00 C ATOM 706 C LEU A 44 -2.688 1.384 0.812 1.00 0.00 C ATOM 707 O LEU A 44 -2.517 1.475 2.026 1.00 0.00 O ATOM 708 CB LEU A 44 -0.356 0.981 -0.171 1.00 0.00 C ATOM 709 CG LEU A 44 -0.035 0.286 -1.495 1.00 0.00 C ATOM 710 CD1 LEU A 44 0.316 1.306 -2.580 1.00 0.00 C ATOM 711 CD2 LEU A 44 1.069 -0.758 -1.312 1.00 0.00 C ATOM 0 H LEU A 44 -1.049 3.417 1.125 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.030 1.785 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.498 1.597 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.466 0.218 0.600 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.928 -0.243 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.540 0.785 -3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.528 1.978 -2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.187 1.883 -2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.278 -1.238 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.973 -0.271 -0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.743 -1.510 -0.593 1.00 0.00 H new ATOM 723 N LEU A 45 -3.776 0.885 0.242 1.00 0.00 N ATOM 724 CA LEU A 45 -4.883 0.394 1.045 1.00 0.00 C ATOM 725 C LEU A 45 -4.784 -1.128 1.165 1.00 0.00 C ATOM 726 O LEU A 45 -4.901 -1.841 0.170 1.00 0.00 O ATOM 727 CB LEU A 45 -6.216 0.881 0.474 1.00 0.00 C ATOM 728 CG LEU A 45 -7.473 0.400 1.201 1.00 0.00 C ATOM 729 CD1 LEU A 45 -7.271 0.423 2.718 1.00 0.00 C ATOM 730 CD2 LEU A 45 -8.698 1.210 0.773 1.00 0.00 C ATOM 0 H LEU A 45 -3.914 0.810 -0.766 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.830 0.798 2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.213 1.971 0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.279 0.565 -0.567 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.657 -0.636 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.179 0.077 3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.441 -0.231 2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.049 1.440 3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.578 0.848 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.539 2.262 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.851 1.098 -0.300 1.00 0.00 H new ATOM 742 N VAL A 46 -4.570 -1.580 2.392 1.00 0.00 N ATOM 743 CA VAL A 46 -4.454 -3.004 2.655 1.00 0.00 C ATOM 744 C VAL A 46 -5.418 -3.391 3.778 1.00 0.00 C ATOM 745 O VAL A 46 -5.830 -2.542 4.567 1.00 0.00 O ATOM 746 CB VAL A 46 -3.000 -3.363 2.966 1.00 0.00 C ATOM 747 CG1 VAL A 46 -2.224 -3.670 1.683 1.00 0.00 C ATOM 748 CG2 VAL A 46 -2.319 -2.249 3.764 1.00 0.00 C ATOM 0 H VAL A 46 -4.474 -0.985 3.215 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.735 -3.579 1.772 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.002 -4.263 3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.193 -3.922 1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.689 -4.511 1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.236 -2.796 1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.286 -2.529 3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.335 -1.325 3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.850 -2.098 4.704 1.00 0.00 H new ATOM 758 N ALA A 47 -5.750 -4.673 3.815 1.00 0.00 N ATOM 759 CA ALA A 47 -6.658 -5.183 4.828 1.00 0.00 C ATOM 760 C ALA A 47 -6.018 -6.388 5.521 1.00 0.00 C ATOM 761 O ALA A 47 -5.701 -7.385 4.874 1.00 0.00 O ATOM 762 CB ALA A 47 -8.002 -5.527 4.183 1.00 0.00 C ATOM 0 H ALA A 47 -5.406 -5.374 3.159 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.846 -4.427 5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.683 -5.910 4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.429 -4.631 3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.853 -6.285 3.414 1.00 0.00 H new ATOM 768 N PHE A 48 -5.846 -6.256 6.828 1.00 0.00 N ATOM 769 CA PHE A 48 -5.250 -7.321 7.616 1.00 0.00 C ATOM 770 C PHE A 48 -6.325 -8.236 8.204 1.00 0.00 C ATOM 771 O PHE A 48 -7.226 -7.773 8.902 1.00 0.00 O ATOM 772 CB PHE A 48 -4.481 -6.656 8.759 1.00 0.00 C ATOM 773 CG PHE A 48 -3.286 -5.817 8.301 1.00 0.00 C ATOM 774 CD1 PHE A 48 -3.474 -4.535 7.887 1.00 0.00 C ATOM 775 CD2 PHE A 48 -2.037 -6.354 8.307 1.00 0.00 C ATOM 776 CE1 PHE A 48 -2.365 -3.757 7.462 1.00 0.00 C ATOM 777 CE2 PHE A 48 -0.928 -5.576 7.882 1.00 0.00 C ATOM 778 CZ PHE A 48 -1.115 -4.294 7.468 1.00 0.00 C ATOM 0 H PHE A 48 -6.109 -5.427 7.361 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.599 -7.928 6.987 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.165 -6.019 9.321 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.129 -7.428 9.443 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.466 -4.109 7.882 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.888 -7.372 8.635 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.514 -2.739 7.134 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.064 -6.002 7.887 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.271 -3.702 7.144 1.00 0.00 H new ATOM 788 N GLU A 49 -6.195 -9.520 7.902 1.00 0.00 N ATOM 789 CA GLU A 49 -7.145 -10.504 8.392 1.00 0.00 C ATOM 790 C GLU A 49 -7.128 -10.542 9.922 1.00 0.00 C ATOM 791 O GLU A 49 -6.736 -9.571 10.566 1.00 0.00 O ATOM 792 CB GLU A 49 -6.854 -11.887 7.806 1.00 0.00 C ATOM 793 CG GLU A 49 -6.616 -11.803 6.297 1.00 0.00 C ATOM 794 CD GLU A 49 -7.682 -10.939 5.620 1.00 0.00 C ATOM 795 OE1 GLU A 49 -7.561 -9.700 5.728 1.00 0.00 O ATOM 796 OE2 GLU A 49 -8.594 -11.538 5.010 1.00 0.00 O ATOM 0 H GLU A 49 -5.446 -9.901 7.324 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.143 -10.211 8.066 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.978 -12.315 8.293 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.690 -12.556 8.009 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.628 -11.385 6.104 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.628 -12.805 5.867 1.00 0.00 H new ATOM 803 N GLU A 50 -7.557 -11.675 10.458 1.00 0.00 N ATOM 804 CA GLU A 50 -7.595 -11.853 11.900 1.00 0.00 C ATOM 805 C GLU A 50 -6.270 -12.431 12.399 1.00 0.00 C ATOM 806 O GLU A 50 -5.638 -13.230 11.709 1.00 0.00 O ATOM 807 CB GLU A 50 -8.771 -12.742 12.311 1.00 0.00 C ATOM 808 CG GLU A 50 -8.754 -14.064 11.543 1.00 0.00 C ATOM 809 CD GLU A 50 -9.957 -14.169 10.603 1.00 0.00 C ATOM 810 OE1 GLU A 50 -11.080 -14.308 11.133 1.00 0.00 O ATOM 811 OE2 GLU A 50 -9.726 -14.106 9.377 1.00 0.00 O ATOM 0 H GLU A 50 -7.881 -12.479 9.920 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.740 -10.877 12.364 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.725 -12.939 13.382 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.709 -12.220 12.123 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.831 -14.143 10.968 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.764 -14.897 12.246 1.00 0.00 H new ATOM 818 N GLY A 51 -5.888 -12.005 13.594 1.00 0.00 N ATOM 819 CA GLY A 51 -4.649 -12.471 14.193 1.00 0.00 C ATOM 820 C GLY A 51 -3.497 -11.511 13.887 1.00 0.00 C ATOM 821 O GLY A 51 -2.484 -11.509 14.586 1.00 0.00 O ATOM 0 H GLY A 51 -6.415 -11.342 14.163 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.774 -12.562 15.272 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.409 -13.465 13.815 1.00 0.00 H new ATOM 825 N ARG A 52 -3.691 -10.720 12.843 1.00 0.00 N ATOM 826 CA ARG A 52 -2.681 -9.758 12.436 1.00 0.00 C ATOM 827 C ARG A 52 -2.695 -8.546 13.369 1.00 0.00 C ATOM 828 O ARG A 52 -3.738 -7.926 13.571 1.00 0.00 O ATOM 829 CB ARG A 52 -2.915 -9.288 10.998 1.00 0.00 C ATOM 830 CG ARG A 52 -3.042 -10.479 10.047 1.00 0.00 C ATOM 831 CD ARG A 52 -1.929 -11.500 10.293 1.00 0.00 C ATOM 832 NE ARG A 52 -2.421 -12.584 11.171 1.00 0.00 N ATOM 833 CZ ARG A 52 -1.775 -13.741 11.371 1.00 0.00 C ATOM 834 NH1 ARG A 52 -0.607 -13.970 10.757 1.00 0.00 N ATOM 835 NH2 ARG A 52 -2.297 -14.668 12.185 1.00 0.00 N ATOM 0 H ARG A 52 -4.532 -10.725 12.266 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.711 -10.253 12.492 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.820 -8.683 10.952 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.089 -8.651 10.681 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.013 -10.955 10.183 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.999 -10.131 9.015 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.589 -11.915 9.344 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.070 -11.010 10.752 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.308 -12.442 11.655 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.209 -13.264 10.137 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.115 -14.850 10.909 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.186 -14.493 12.653 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.805 -15.549 12.337 1.00 0.00 H new ATOM 849 N THR A 53 -1.525 -8.244 13.914 1.00 0.00 N ATOM 850 CA THR A 53 -1.391 -7.117 14.821 1.00 0.00 C ATOM 851 C THR A 53 -0.591 -5.993 14.160 1.00 0.00 C ATOM 852 O THR A 53 -0.070 -6.162 13.059 1.00 0.00 O ATOM 853 CB THR A 53 -0.762 -7.628 16.119 1.00 0.00 C ATOM 854 OG1 THR A 53 0.390 -8.347 15.688 1.00 0.00 O ATOM 855 CG2 THR A 53 -1.625 -8.686 16.811 1.00 0.00 C ATOM 0 H THR A 53 -0.662 -8.760 13.745 1.00 0.00 H new ATOM 0 HA THR A 53 -2.362 -6.684 15.061 1.00 0.00 H new ATOM 0 HB THR A 53 -0.600 -6.791 16.798 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.859 -8.711 16.468 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.133 -9.015 17.726 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.598 -8.259 17.055 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.759 -9.538 16.145 1.00 0.00 H new ATOM 863 N LEU A 54 -0.518 -4.871 14.861 1.00 0.00 N ATOM 864 CA LEU A 54 0.210 -3.719 14.356 1.00 0.00 C ATOM 865 C LEU A 54 1.655 -4.124 14.061 1.00 0.00 C ATOM 866 O LEU A 54 2.308 -3.528 13.205 1.00 0.00 O ATOM 867 CB LEU A 54 0.086 -2.541 15.324 1.00 0.00 C ATOM 868 CG LEU A 54 -0.520 -1.260 14.748 1.00 0.00 C ATOM 869 CD1 LEU A 54 -2.045 -1.272 14.871 1.00 0.00 C ATOM 870 CD2 LEU A 54 0.097 -0.020 15.398 1.00 0.00 C ATOM 0 H LEU A 54 -0.951 -4.735 15.774 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.223 -3.376 13.416 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.521 -2.856 16.173 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.078 -2.308 15.710 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.282 -1.218 13.685 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.451 -0.350 14.454 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.447 -2.125 14.325 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.325 -1.349 15.922 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.352 0.876 14.970 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.089 -0.042 16.472 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.172 -0.010 15.216 1.00 0.00 H new ATOM 882 N LEU A 55 2.113 -5.134 14.785 1.00 0.00 N ATOM 883 CA LEU A 55 3.469 -5.626 14.612 1.00 0.00 C ATOM 884 C LEU A 55 3.695 -5.976 13.140 1.00 0.00 C ATOM 885 O LEU A 55 4.731 -5.637 12.569 1.00 0.00 O ATOM 886 CB LEU A 55 3.745 -6.786 15.570 1.00 0.00 C ATOM 887 CG LEU A 55 4.911 -6.591 16.541 1.00 0.00 C ATOM 888 CD1 LEU A 55 6.201 -6.258 15.789 1.00 0.00 C ATOM 889 CD2 LEU A 55 4.575 -5.537 17.597 1.00 0.00 C ATOM 0 H LEU A 55 1.569 -5.626 15.494 1.00 0.00 H new ATOM 0 HA LEU A 55 4.191 -4.852 14.871 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.842 -6.974 16.151 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.936 -7.682 14.979 1.00 0.00 H new ATOM 0 HG LEU A 55 5.078 -7.531 17.067 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.014 -6.124 16.503 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.446 -7.073 15.108 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.063 -5.339 15.220 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.421 -5.418 18.274 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.365 -4.586 17.108 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.699 -5.855 18.163 1.00 0.00 H new ATOM 901 N ASP A 56 2.709 -6.651 12.566 1.00 0.00 N ATOM 902 CA ASP A 56 2.788 -7.051 11.172 1.00 0.00 C ATOM 903 C ASP A 56 2.645 -5.814 10.282 1.00 0.00 C ATOM 904 O ASP A 56 3.295 -5.714 9.243 1.00 0.00 O ATOM 905 CB ASP A 56 1.663 -8.023 10.814 1.00 0.00 C ATOM 906 CG ASP A 56 1.768 -9.403 11.467 1.00 0.00 C ATOM 907 OD1 ASP A 56 2.911 -9.900 11.562 1.00 0.00 O ATOM 908 OD2 ASP A 56 0.703 -9.929 11.857 1.00 0.00 O ATOM 0 H ASP A 56 1.851 -6.931 13.042 1.00 0.00 H new ATOM 0 HA ASP A 56 3.750 -7.539 11.015 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.711 -7.574 11.099 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.644 -8.150 9.732 1.00 0.00 H new ATOM 913 N HIS A 57 1.790 -4.903 10.723 1.00 0.00 N ATOM 914 CA HIS A 57 1.553 -3.677 9.979 1.00 0.00 C ATOM 915 C HIS A 57 2.829 -2.833 9.963 1.00 0.00 C ATOM 916 O HIS A 57 3.267 -2.383 8.905 1.00 0.00 O ATOM 917 CB HIS A 57 0.349 -2.922 10.546 1.00 0.00 C ATOM 918 CG HIS A 57 -0.893 -3.768 10.692 1.00 0.00 C ATOM 919 ND1 HIS A 57 -1.067 -5.118 10.605 1.00 0.00 N flip ATOM 920 CD2 HIS A 57 -2.140 -3.230 10.959 1.00 0.00 C flip ATOM 921 CE1 HIS A 57 -2.350 -5.390 10.809 1.00 0.00 C flip ATOM 922 NE2 HIS A 57 -3.017 -4.220 11.029 1.00 0.00 N flip ATOM 0 H HIS A 57 1.253 -4.989 11.586 1.00 0.00 H new ATOM 0 HA HIS A 57 1.304 -3.916 8.945 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.615 -2.514 11.521 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.125 -2.075 9.897 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.361 -2.181 11.088 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.793 -6.375 10.802 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.015 -4.125 11.215 1.00 0.00 H new ATOM 930 N ALA A 58 3.389 -2.642 11.149 1.00 0.00 N ATOM 931 CA ALA A 58 4.606 -1.859 11.284 1.00 0.00 C ATOM 932 C ALA A 58 5.703 -2.477 10.415 1.00 0.00 C ATOM 933 O ALA A 58 6.449 -1.760 9.750 1.00 0.00 O ATOM 934 CB ALA A 58 5.003 -1.784 12.760 1.00 0.00 C ATOM 0 H ALA A 58 3.023 -3.016 12.025 1.00 0.00 H new ATOM 0 HA ALA A 58 4.447 -0.838 10.937 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.916 -1.197 12.862 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.202 -1.311 13.329 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.174 -2.790 13.142 1.00 0.00 H new ATOM 940 N ARG A 59 5.768 -3.799 10.450 1.00 0.00 N ATOM 941 CA ARG A 59 6.762 -4.521 9.674 1.00 0.00 C ATOM 942 C ARG A 59 6.454 -4.407 8.180 1.00 0.00 C ATOM 943 O ARG A 59 7.366 -4.333 7.358 1.00 0.00 O ATOM 944 CB ARG A 59 6.802 -5.999 10.069 1.00 0.00 C ATOM 945 CG ARG A 59 7.929 -6.269 11.067 1.00 0.00 C ATOM 946 CD ARG A 59 8.578 -7.630 10.806 1.00 0.00 C ATOM 947 NE ARG A 59 7.867 -8.684 11.563 1.00 0.00 N ATOM 948 CZ ARG A 59 8.194 -9.983 11.530 1.00 0.00 C ATOM 949 NH1 ARG A 59 9.222 -10.396 10.776 1.00 0.00 N ATOM 950 NH2 ARG A 59 7.492 -10.869 12.249 1.00 0.00 N ATOM 0 H ARG A 59 5.148 -4.390 11.004 1.00 0.00 H new ATOM 0 HA ARG A 59 7.734 -4.075 9.883 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.847 -6.288 10.507 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.944 -6.613 9.180 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.681 -5.483 10.993 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.535 -6.239 12.083 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.552 -7.856 9.740 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.627 -7.604 11.101 1.00 0.00 H new ATOM 0 HE ARG A 59 7.079 -8.404 12.147 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.755 -9.722 10.227 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.471 -11.385 10.751 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.709 -10.555 12.822 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.741 -11.858 12.224 1.00 0.00 H new ATOM 964 N LEU A 60 5.165 -4.397 7.873 1.00 0.00 N ATOM 965 CA LEU A 60 4.725 -4.294 6.492 1.00 0.00 C ATOM 966 C LEU A 60 5.114 -2.921 5.939 1.00 0.00 C ATOM 967 O LEU A 60 5.675 -2.824 4.849 1.00 0.00 O ATOM 968 CB LEU A 60 3.231 -4.601 6.381 1.00 0.00 C ATOM 969 CG LEU A 60 2.710 -4.903 4.974 1.00 0.00 C ATOM 970 CD1 LEU A 60 3.815 -5.496 4.097 1.00 0.00 C ATOM 971 CD2 LEU A 60 1.476 -5.806 5.029 1.00 0.00 C ATOM 0 H LEU A 60 4.411 -4.459 8.557 1.00 0.00 H new ATOM 0 HA LEU A 60 5.226 -5.040 5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.007 -5.455 7.021 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.675 -3.751 6.778 1.00 0.00 H new ATOM 0 HG LEU A 60 2.402 -3.964 4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.419 -5.702 3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.639 -4.786 4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.175 -6.423 4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.126 -6.005 4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.735 -6.747 5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.687 -5.310 5.595 1.00 0.00 H new ATOM 983 N LYS A 61 4.800 -1.895 6.716 1.00 0.00 N ATOM 984 CA LYS A 61 5.109 -0.533 6.318 1.00 0.00 C ATOM 985 C LYS A 61 6.624 -0.382 6.163 1.00 0.00 C ATOM 986 O LYS A 61 7.096 0.247 5.217 1.00 0.00 O ATOM 987 CB LYS A 61 4.489 0.466 7.297 1.00 0.00 C ATOM 988 CG LYS A 61 4.573 1.893 6.752 1.00 0.00 C ATOM 989 CD LYS A 61 5.974 2.475 6.951 1.00 0.00 C ATOM 990 CE LYS A 61 5.925 4.000 7.053 1.00 0.00 C ATOM 991 NZ LYS A 61 6.831 4.478 8.122 1.00 0.00 N ATOM 0 H LYS A 61 4.335 -1.980 7.620 1.00 0.00 H new ATOM 0 HA LYS A 61 4.665 -0.311 5.348 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.447 0.203 7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.004 0.408 8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.321 1.896 5.691 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.839 2.522 7.256 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.419 2.061 7.856 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.614 2.183 6.119 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.212 4.443 6.100 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.905 4.324 7.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.723 5.506 8.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.593 4.004 9.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.815 4.260 7.866 1.00 0.00 H new ATOM 1005 N LEU A 62 7.344 -0.971 7.107 1.00 0.00 N ATOM 1006 CA LEU A 62 8.796 -0.911 7.087 1.00 0.00 C ATOM 1007 C LEU A 62 9.324 -1.797 5.957 1.00 0.00 C ATOM 1008 O LEU A 62 10.341 -1.484 5.342 1.00 0.00 O ATOM 1009 CB LEU A 62 9.365 -1.263 8.463 1.00 0.00 C ATOM 1010 CG LEU A 62 9.960 -2.666 8.603 1.00 0.00 C ATOM 1011 CD1 LEU A 62 11.315 -2.759 7.899 1.00 0.00 C ATOM 1012 CD2 LEU A 62 10.049 -3.080 10.073 1.00 0.00 C ATOM 0 H LEU A 62 6.949 -1.492 7.890 1.00 0.00 H new ATOM 0 HA LEU A 62 9.133 0.105 6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.138 -0.536 8.712 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.572 -1.151 9.202 1.00 0.00 H new ATOM 0 HG LEU A 62 9.291 -3.371 8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.716 -3.766 8.014 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.190 -2.536 6.839 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.005 -2.041 8.342 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.475 -4.081 10.144 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.684 -2.376 10.611 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.052 -3.078 10.512 1.00 0.00 H new ATOM 1024 N ALA A 63 8.608 -2.886 5.719 1.00 0.00 N ATOM 1025 CA ALA A 63 8.992 -3.820 4.674 1.00 0.00 C ATOM 1026 C ALA A 63 8.787 -3.163 3.308 1.00 0.00 C ATOM 1027 O ALA A 63 9.583 -3.365 2.392 1.00 0.00 O ATOM 1028 CB ALA A 63 8.188 -5.113 4.825 1.00 0.00 C ATOM 0 H ALA A 63 7.764 -3.143 6.232 1.00 0.00 H new ATOM 0 HA ALA A 63 10.047 -4.079 4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.476 -5.814 4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.391 -5.556 5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.124 -4.892 4.741 1.00 0.00 H new ATOM 1034 N LEU A 64 7.716 -2.388 3.214 1.00 0.00 N ATOM 1035 CA LEU A 64 7.397 -1.700 1.975 1.00 0.00 C ATOM 1036 C LEU A 64 8.411 -0.578 1.744 1.00 0.00 C ATOM 1037 O LEU A 64 8.858 -0.363 0.618 1.00 0.00 O ATOM 1038 CB LEU A 64 5.943 -1.221 1.987 1.00 0.00 C ATOM 1039 CG LEU A 64 4.877 -2.317 2.040 1.00 0.00 C ATOM 1040 CD1 LEU A 64 3.691 -1.972 1.137 1.00 0.00 C ATOM 1041 CD2 LEU A 64 5.477 -3.683 1.701 1.00 0.00 C ATOM 0 H LEU A 64 7.058 -2.222 3.976 1.00 0.00 H new ATOM 0 HA LEU A 64 7.477 -2.383 1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.804 -0.565 2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.772 -0.618 1.095 1.00 0.00 H new ATOM 0 HG LEU A 64 4.499 -2.376 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.948 -2.767 1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.244 -1.034 1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.035 -1.869 0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.698 -4.444 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.900 -3.656 0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.261 -3.924 2.418 1.00 0.00 H new ATOM 1053 N GLU A 65 8.746 0.106 2.828 1.00 0.00 N ATOM 1054 CA GLU A 65 9.699 1.200 2.757 1.00 0.00 C ATOM 1055 C GLU A 65 11.111 0.660 2.520 1.00 0.00 C ATOM 1056 O GLU A 65 11.956 1.348 1.950 1.00 0.00 O ATOM 1057 CB GLU A 65 9.646 2.057 4.024 1.00 0.00 C ATOM 1058 CG GLU A 65 8.374 2.906 4.058 1.00 0.00 C ATOM 1059 CD GLU A 65 8.379 3.853 5.261 1.00 0.00 C ATOM 1060 OE1 GLU A 65 8.640 3.352 6.376 1.00 0.00 O ATOM 1061 OE2 GLU A 65 8.122 5.055 5.037 1.00 0.00 O ATOM 0 H GLU A 65 8.374 -0.076 3.760 1.00 0.00 H new ATOM 0 HA GLU A 65 9.428 1.837 1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.682 1.415 4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.521 2.705 4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.293 3.483 3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.500 2.256 4.105 1.00 0.00 H new ATOM 1068 N GLY A 66 11.323 -0.569 2.969 1.00 0.00 N ATOM 1069 CA GLY A 66 12.617 -1.210 2.812 1.00 0.00 C ATOM 1070 C GLY A 66 12.856 -1.615 1.356 1.00 0.00 C ATOM 1071 O GLY A 66 13.935 -1.383 0.813 1.00 0.00 O ATOM 0 H GLY A 66 10.620 -1.137 3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.405 -0.531 3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.670 -2.091 3.452 1.00 0.00 H new ATOM 1075 N LEU A 67 11.832 -2.213 0.767 1.00 0.00 N ATOM 1076 CA LEU A 67 11.916 -2.653 -0.616 1.00 0.00 C ATOM 1077 C LEU A 67 12.093 -1.435 -1.524 1.00 0.00 C ATOM 1078 O LEU A 67 12.934 -1.441 -2.421 1.00 0.00 O ATOM 1079 CB LEU A 67 10.709 -3.520 -0.977 1.00 0.00 C ATOM 1080 CG LEU A 67 11.022 -4.932 -1.477 1.00 0.00 C ATOM 1081 CD1 LEU A 67 11.158 -5.909 -0.308 1.00 0.00 C ATOM 1082 CD2 LEU A 67 9.979 -5.398 -2.495 1.00 0.00 C ATOM 0 H LEU A 67 10.939 -2.404 1.222 1.00 0.00 H new ATOM 0 HA LEU A 67 12.790 -3.289 -0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.069 -3.601 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.133 -3.004 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 67 11.983 -4.907 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.380 -6.905 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.966 -5.583 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.224 -5.936 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.226 -6.404 -2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.993 -5.403 -2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.974 -4.719 -3.348 1.00 0.00 H new ATOM 1094 N LEU A 68 11.285 -0.418 -1.261 1.00 0.00 N ATOM 1095 CA LEU A 68 11.341 0.805 -2.043 1.00 0.00 C ATOM 1096 C LEU A 68 12.422 1.723 -1.470 1.00 0.00 C ATOM 1097 O LEU A 68 12.774 2.730 -2.081 1.00 0.00 O ATOM 1098 CB LEU A 68 9.958 1.456 -2.119 1.00 0.00 C ATOM 1099 CG LEU A 68 8.860 0.625 -2.785 1.00 0.00 C ATOM 1100 CD1 LEU A 68 7.475 1.186 -2.461 1.00 0.00 C ATOM 1101 CD2 LEU A 68 9.096 0.513 -4.293 1.00 0.00 C ATOM 0 H LEU A 68 10.588 -0.416 -0.517 1.00 0.00 H new ATOM 0 HA LEU A 68 11.622 0.586 -3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.637 1.700 -1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.051 2.398 -2.659 1.00 0.00 H new ATOM 0 HG LEU A 68 8.901 -0.385 -2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.713 0.577 -2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.319 1.170 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.404 2.212 -2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.301 -0.083 -4.742 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.098 1.509 -4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.057 0.033 -4.476 1.00 0.00 H new ATOM 1113 N GLY A 69 12.920 1.341 -0.303 1.00 0.00 N ATOM 1114 CA GLY A 69 13.954 2.118 0.360 1.00 0.00 C ATOM 1115 C GLY A 69 13.550 3.589 0.469 1.00 0.00 C ATOM 1116 O GLY A 69 14.400 4.457 0.664 1.00 0.00 O ATOM 0 H GLY A 69 12.627 0.504 0.200 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.136 1.713 1.355 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.889 2.034 -0.195 1.00 0.00 H new ATOM 1120 N VAL A 70 12.253 3.825 0.338 1.00 0.00 N ATOM 1121 CA VAL A 70 11.726 5.177 0.419 1.00 0.00 C ATOM 1122 C VAL A 70 10.588 5.215 1.441 1.00 0.00 C ATOM 1123 O VAL A 70 10.356 4.240 2.154 1.00 0.00 O ATOM 1124 CB VAL A 70 11.299 5.656 -0.969 1.00 0.00 C ATOM 1125 CG1 VAL A 70 12.405 5.413 -1.998 1.00 0.00 C ATOM 1126 CG2 VAL A 70 9.991 4.989 -1.402 1.00 0.00 C ATOM 0 H VAL A 70 11.551 3.103 0.176 1.00 0.00 H new ATOM 0 HA VAL A 70 12.496 5.867 0.763 1.00 0.00 H new ATOM 0 HB VAL A 70 11.124 6.730 -0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.075 5.763 -2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 70 13.303 5.956 -1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.626 4.347 -2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.710 5.347 -2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.127 3.908 -1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.204 5.236 -0.690 1.00 0.00 H new ATOM 1136 N ARG A 71 9.908 6.352 1.480 1.00 0.00 N ATOM 1137 CA ARG A 71 8.800 6.530 2.403 1.00 0.00 C ATOM 1138 C ARG A 71 7.513 5.963 1.802 1.00 0.00 C ATOM 1139 O ARG A 71 7.193 6.229 0.645 1.00 0.00 O ATOM 1140 CB ARG A 71 8.592 8.009 2.734 1.00 0.00 C ATOM 1141 CG ARG A 71 9.730 8.541 3.607 1.00 0.00 C ATOM 1142 CD ARG A 71 9.463 8.261 5.087 1.00 0.00 C ATOM 1143 NE ARG A 71 10.739 8.007 5.793 1.00 0.00 N ATOM 1144 CZ ARG A 71 10.848 7.868 7.121 1.00 0.00 C ATOM 1145 NH1 ARG A 71 9.759 7.958 7.896 1.00 0.00 N ATOM 1146 NH2 ARG A 71 12.047 7.640 7.674 1.00 0.00 N ATOM 0 H ARG A 71 10.103 7.159 0.887 1.00 0.00 H new ATOM 0 HA ARG A 71 9.043 5.995 3.321 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.536 8.587 1.812 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.641 8.139 3.251 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.670 8.076 3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.842 9.614 3.451 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.950 9.110 5.539 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.804 7.399 5.189 1.00 0.00 H new ATOM 0 HE ARG A 71 11.589 7.933 5.233 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.846 8.132 7.475 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.842 7.852 8.907 1.00 0.00 H new ATOM 0 HH21 ARG A 71 12.876 7.572 7.084 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.130 7.534 8.685 1.00 0.00 H new ATOM 1160 N VAL A 72 6.808 5.190 2.616 1.00 0.00 N ATOM 1161 CA VAL A 72 5.562 4.583 2.180 1.00 0.00 C ATOM 1162 C VAL A 72 4.498 4.778 3.261 1.00 0.00 C ATOM 1163 O VAL A 72 4.807 4.757 4.452 1.00 0.00 O ATOM 1164 CB VAL A 72 5.792 3.112 1.826 1.00 0.00 C ATOM 1165 CG1 VAL A 72 4.506 2.465 1.309 1.00 0.00 C ATOM 1166 CG2 VAL A 72 6.927 2.964 0.811 1.00 0.00 C ATOM 0 H VAL A 72 7.076 4.970 3.575 1.00 0.00 H new ATOM 0 HA VAL A 72 5.198 5.068 1.275 1.00 0.00 H new ATOM 0 HB VAL A 72 6.087 2.590 2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.697 1.420 1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.735 2.523 2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.168 2.990 0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.070 1.909 0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.674 3.507 -0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.847 3.370 1.232 1.00 0.00 H new ATOM 1176 N ASP A 73 3.267 4.964 2.809 1.00 0.00 N ATOM 1177 CA ASP A 73 2.155 5.163 3.723 1.00 0.00 C ATOM 1178 C ASP A 73 1.131 4.043 3.526 1.00 0.00 C ATOM 1179 O ASP A 73 0.499 3.954 2.475 1.00 0.00 O ATOM 1180 CB ASP A 73 1.454 6.497 3.456 1.00 0.00 C ATOM 1181 CG ASP A 73 0.981 7.240 4.707 1.00 0.00 C ATOM 1182 OD1 ASP A 73 0.008 6.753 5.322 1.00 0.00 O ATOM 1183 OD2 ASP A 73 1.602 8.278 5.020 1.00 0.00 O ATOM 0 H ASP A 73 3.015 4.981 1.821 1.00 0.00 H new ATOM 0 HA ASP A 73 2.550 5.160 4.739 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.135 7.144 2.903 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.593 6.316 2.812 1.00 0.00 H new ATOM 1188 N ILE A 74 1.000 3.217 4.553 1.00 0.00 N ATOM 1189 CA ILE A 74 0.064 2.107 4.506 1.00 0.00 C ATOM 1190 C ILE A 74 -1.220 2.496 5.242 1.00 0.00 C ATOM 1191 O ILE A 74 -1.173 3.206 6.245 1.00 0.00 O ATOM 1192 CB ILE A 74 0.718 0.831 5.042 1.00 0.00 C ATOM 1193 CG1 ILE A 74 1.896 0.408 4.162 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -0.313 -0.289 5.199 1.00 0.00 C ATOM 1195 CD1 ILE A 74 2.281 -1.049 4.426 1.00 0.00 C ATOM 0 H ILE A 74 1.527 3.294 5.423 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.214 1.887 3.475 1.00 0.00 H new ATOM 0 HB ILE A 74 1.117 1.042 6.034 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.634 0.534 3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.751 1.055 4.357 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.178 -1.184 5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.089 0.026 5.897 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.763 -0.507 4.231 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.121 -1.325 3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.566 -1.166 5.472 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.431 -1.695 4.207 1.00 0.00 H new ATOM 1207 N VAL A 75 -2.336 2.014 4.715 1.00 0.00 N ATOM 1208 CA VAL A 75 -3.630 2.302 5.309 1.00 0.00 C ATOM 1209 C VAL A 75 -4.417 0.999 5.464 1.00 0.00 C ATOM 1210 O VAL A 75 -4.302 0.098 4.635 1.00 0.00 O ATOM 1211 CB VAL A 75 -4.367 3.350 4.474 1.00 0.00 C ATOM 1212 CG1 VAL A 75 -5.827 3.476 4.916 1.00 0.00 C ATOM 1213 CG2 VAL A 75 -3.656 4.703 4.539 1.00 0.00 C ATOM 0 H VAL A 75 -2.371 1.426 3.883 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.507 2.727 6.305 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.359 3.017 3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.328 4.228 4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.328 2.516 4.793 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.866 3.774 5.964 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.201 5.430 3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.618 5.045 5.573 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.642 4.600 4.153 1.00 0.00 H new ATOM 1223 N SER A 76 -5.199 0.941 6.532 1.00 0.00 N ATOM 1224 CA SER A 76 -6.004 -0.236 6.807 1.00 0.00 C ATOM 1225 C SER A 76 -7.485 0.079 6.584 1.00 0.00 C ATOM 1226 O SER A 76 -8.022 1.009 7.183 1.00 0.00 O ATOM 1227 CB SER A 76 -5.778 -0.739 8.234 1.00 0.00 C ATOM 1228 OG SER A 76 -6.043 0.271 9.204 1.00 0.00 O ATOM 0 H SER A 76 -5.292 1.691 7.217 1.00 0.00 H new ATOM 0 HA SER A 76 -5.699 -1.026 6.120 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.421 -1.599 8.421 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.749 -1.081 8.339 1.00 0.00 H new ATOM 0 HG SER A 76 -6.709 0.897 8.851 1.00 0.00 H new ATOM 1234 N GLU A 77 -8.102 -0.714 5.720 1.00 0.00 N ATOM 1235 CA GLU A 77 -9.510 -0.530 5.411 1.00 0.00 C ATOM 1236 C GLU A 77 -10.302 -0.249 6.689 1.00 0.00 C ATOM 1237 O GLU A 77 -11.046 0.729 6.760 1.00 0.00 O ATOM 1238 CB GLU A 77 -10.072 -1.748 4.674 1.00 0.00 C ATOM 1239 CG GLU A 77 -10.079 -1.519 3.161 1.00 0.00 C ATOM 1240 CD GLU A 77 -11.147 -2.378 2.481 1.00 0.00 C ATOM 1241 OE1 GLU A 77 -12.145 -2.689 3.166 1.00 0.00 O ATOM 1242 OE2 GLU A 77 -10.940 -2.704 1.292 1.00 0.00 O ATOM 0 H GLU A 77 -7.653 -1.485 5.225 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.608 0.331 4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.473 -2.628 4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.086 -1.951 5.019 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.266 -0.466 2.950 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.099 -1.758 2.749 1.00 0.00 H new ATOM 1249 N ARG A 78 -10.116 -1.123 7.667 1.00 0.00 N ATOM 1250 CA ARG A 78 -10.804 -0.980 8.939 1.00 0.00 C ATOM 1251 C ARG A 78 -10.565 0.416 9.518 1.00 0.00 C ATOM 1252 O ARG A 78 -11.445 0.982 10.165 1.00 0.00 O ATOM 1253 CB ARG A 78 -10.326 -2.030 9.944 1.00 0.00 C ATOM 1254 CG ARG A 78 -11.464 -2.977 10.330 1.00 0.00 C ATOM 1255 CD ARG A 78 -11.819 -2.834 11.811 1.00 0.00 C ATOM 1256 NE ARG A 78 -13.026 -1.991 11.963 1.00 0.00 N ATOM 1257 CZ ARG A 78 -13.628 -1.746 13.135 1.00 0.00 C ATOM 1258 NH1 ARG A 78 -13.140 -2.279 14.264 1.00 0.00 N ATOM 1259 NH2 ARG A 78 -14.719 -0.970 13.178 1.00 0.00 N ATOM 0 H ARG A 78 -9.499 -1.933 7.604 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.869 -1.124 8.758 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.503 -2.601 9.515 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.941 -1.536 10.836 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.342 -2.764 9.720 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.172 -4.006 10.120 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.995 -3.817 12.248 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.984 -2.389 12.352 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.424 -1.570 11.124 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.310 -2.871 14.231 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.598 -2.092 15.156 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.091 -0.566 12.319 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.177 -0.783 14.070 1.00 0.00 H new ATOM 1273 N GLY A 79 -9.371 0.931 9.264 1.00 0.00 N ATOM 1274 CA GLY A 79 -9.006 2.250 9.752 1.00 0.00 C ATOM 1275 C GLY A 79 -9.526 3.344 8.817 1.00 0.00 C ATOM 1276 O GLY A 79 -9.651 4.500 9.218 1.00 0.00 O ATOM 0 H GLY A 79 -8.644 0.459 8.727 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.414 2.397 10.752 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.922 2.323 9.836 1.00 0.00 H new ATOM 1280 N LEU A 80 -9.814 2.940 7.589 1.00 0.00 N ATOM 1281 CA LEU A 80 -10.317 3.871 6.593 1.00 0.00 C ATOM 1282 C LEU A 80 -11.744 4.282 6.961 1.00 0.00 C ATOM 1283 O LEU A 80 -12.249 3.907 8.018 1.00 0.00 O ATOM 1284 CB LEU A 80 -10.192 3.275 5.190 1.00 0.00 C ATOM 1285 CG LEU A 80 -9.138 3.913 4.282 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -9.096 3.218 2.919 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -9.368 5.420 4.150 1.00 0.00 C ATOM 0 H LEU A 80 -9.709 1.980 7.261 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.715 4.780 6.583 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.965 2.213 5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.161 3.350 4.697 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.160 3.776 4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.339 3.690 2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.849 2.165 3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.070 3.303 2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.606 5.849 3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.354 5.601 3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.309 5.885 5.134 1.00 0.00 H new ATOM 1299 N ALA A 81 -12.354 5.049 6.069 1.00 0.00 N ATOM 1300 CA ALA A 81 -13.712 5.516 6.287 1.00 0.00 C ATOM 1301 C ALA A 81 -14.637 4.881 5.247 1.00 0.00 C ATOM 1302 O ALA A 81 -14.172 4.253 4.297 1.00 0.00 O ATOM 1303 CB ALA A 81 -13.741 7.045 6.238 1.00 0.00 C ATOM 0 H ALA A 81 -11.932 5.359 5.193 1.00 0.00 H new ATOM 0 HA ALA A 81 -14.068 5.216 7.272 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.760 7.395 6.402 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.090 7.446 7.015 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -13.393 7.384 5.262 1.00 0.00 H new ATOM 1309 N PRO A 82 -15.966 5.072 5.467 1.00 0.00 N ATOM 1310 CA PRO A 82 -16.961 4.526 4.560 1.00 0.00 C ATOM 1311 C PRO A 82 -17.024 5.336 3.263 1.00 0.00 C ATOM 1312 O PRO A 82 -17.076 4.767 2.173 1.00 0.00 O ATOM 1313 CB PRO A 82 -18.264 4.554 5.341 1.00 0.00 C ATOM 1314 CG PRO A 82 -18.046 5.537 6.480 1.00 0.00 C ATOM 1315 CD PRO A 82 -16.554 5.810 6.581 1.00 0.00 C ATOM 0 HA PRO A 82 -16.726 3.511 4.240 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -19.093 4.869 4.707 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -18.512 3.563 5.722 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.592 6.462 6.295 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.423 5.126 7.416 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.341 6.876 6.506 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -16.153 5.471 7.536 1.00 0.00 H new ATOM 1323 N ARG A 83 -17.017 6.651 3.423 1.00 0.00 N ATOM 1324 CA ARG A 83 -17.073 7.545 2.279 1.00 0.00 C ATOM 1325 C ARG A 83 -15.695 7.654 1.623 1.00 0.00 C ATOM 1326 O ARG A 83 -15.591 7.967 0.438 1.00 0.00 O ATOM 1327 CB ARG A 83 -17.546 8.940 2.693 1.00 0.00 C ATOM 1328 CG ARG A 83 -16.532 9.608 3.624 1.00 0.00 C ATOM 1329 CD ARG A 83 -17.238 10.399 4.726 1.00 0.00 C ATOM 1330 NE ARG A 83 -16.346 10.542 5.898 1.00 0.00 N ATOM 1331 CZ ARG A 83 -15.262 11.329 5.926 1.00 0.00 C ATOM 1332 NH1 ARG A 83 -14.929 12.049 4.846 1.00 0.00 N ATOM 1333 NH2 ARG A 83 -14.510 11.396 7.033 1.00 0.00 N ATOM 0 H ARG A 83 -16.973 7.119 4.328 1.00 0.00 H new ATOM 0 HA ARG A 83 -17.786 7.129 1.567 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -17.692 9.557 1.806 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -18.512 8.867 3.193 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.889 8.850 4.071 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -15.888 10.274 3.049 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -17.523 11.383 4.353 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -18.157 9.891 5.018 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.571 10.008 6.737 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -15.501 11.998 4.003 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.104 12.648 4.867 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.763 10.848 7.855 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.685 11.995 7.054 1.00 0.00 H new ATOM 1347 N LEU A 84 -14.672 7.389 2.422 1.00 0.00 N ATOM 1348 CA LEU A 84 -13.305 7.454 1.934 1.00 0.00 C ATOM 1349 C LEU A 84 -12.960 6.144 1.222 1.00 0.00 C ATOM 1350 O LEU A 84 -12.408 6.157 0.123 1.00 0.00 O ATOM 1351 CB LEU A 84 -12.346 7.806 3.072 1.00 0.00 C ATOM 1352 CG LEU A 84 -11.867 9.259 3.120 1.00 0.00 C ATOM 1353 CD1 LEU A 84 -12.973 10.184 3.632 1.00 0.00 C ATOM 1354 CD2 LEU A 84 -10.585 9.387 3.946 1.00 0.00 C ATOM 0 H LEU A 84 -14.762 7.129 3.404 1.00 0.00 H new ATOM 0 HA LEU A 84 -13.200 8.254 1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -12.835 7.574 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.472 7.158 2.998 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.628 9.574 2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.607 11.210 3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -13.835 10.122 2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -13.266 9.879 4.637 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.266 10.429 3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.773 9.047 4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.801 8.776 3.499 1.00 0.00 H new ATOM 1366 N ARG A 85 -13.300 5.044 1.878 1.00 0.00 N ATOM 1367 CA ARG A 85 -13.033 3.728 1.322 1.00 0.00 C ATOM 1368 C ARG A 85 -13.608 3.623 -0.092 1.00 0.00 C ATOM 1369 O ARG A 85 -12.913 3.213 -1.020 1.00 0.00 O ATOM 1370 CB ARG A 85 -13.638 2.628 2.195 1.00 0.00 C ATOM 1371 CG ARG A 85 -13.414 1.248 1.573 1.00 0.00 C ATOM 1372 CD ARG A 85 -14.494 0.262 2.022 1.00 0.00 C ATOM 1373 NE ARG A 85 -14.232 -0.179 3.410 1.00 0.00 N ATOM 1374 CZ ARG A 85 -15.095 -0.889 4.149 1.00 0.00 C ATOM 1375 NH1 ARG A 85 -16.282 -1.244 3.636 1.00 0.00 N ATOM 1376 NH2 ARG A 85 -14.772 -1.245 5.399 1.00 0.00 N ATOM 0 H ARG A 85 -13.758 5.037 2.789 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.952 3.595 1.289 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.190 2.660 3.188 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.706 2.805 2.321 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.420 1.330 0.486 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -12.432 0.872 1.858 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -15.475 0.732 1.960 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -14.511 -0.600 1.355 1.00 0.00 H new ATOM 0 HE ARG A 85 -13.338 0.074 3.831 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -16.527 -0.974 2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -16.939 -1.785 4.198 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -13.869 -0.976 5.789 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -15.429 -1.786 5.961 1.00 0.00 H new ATOM 1390 N GLU A 86 -14.872 4.001 -0.211 1.00 0.00 N ATOM 1391 CA GLU A 86 -15.549 3.954 -1.496 1.00 0.00 C ATOM 1392 C GLU A 86 -14.811 4.822 -2.517 1.00 0.00 C ATOM 1393 O GLU A 86 -14.661 4.434 -3.674 1.00 0.00 O ATOM 1394 CB GLU A 86 -17.010 4.387 -1.362 1.00 0.00 C ATOM 1395 CG GLU A 86 -17.867 3.777 -2.474 1.00 0.00 C ATOM 1396 CD GLU A 86 -19.356 3.884 -2.139 1.00 0.00 C ATOM 1397 OE1 GLU A 86 -19.770 3.214 -1.169 1.00 0.00 O ATOM 1398 OE2 GLU A 86 -20.047 4.635 -2.861 1.00 0.00 O ATOM 0 H GLU A 86 -15.445 4.341 0.561 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.541 2.924 -1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.396 4.080 -0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.076 5.474 -1.402 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.665 4.288 -3.416 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -17.596 2.731 -2.614 1.00 0.00 H new ATOM 1405 N GLN A 87 -14.370 5.981 -2.051 1.00 0.00 N ATOM 1406 CA GLN A 87 -13.651 6.908 -2.909 1.00 0.00 C ATOM 1407 C GLN A 87 -12.250 6.372 -3.213 1.00 0.00 C ATOM 1408 O GLN A 87 -11.742 6.546 -4.319 1.00 0.00 O ATOM 1409 CB GLN A 87 -13.581 8.299 -2.276 1.00 0.00 C ATOM 1410 CG GLN A 87 -13.070 9.333 -3.282 1.00 0.00 C ATOM 1411 CD GLN A 87 -13.317 10.757 -2.777 1.00 0.00 C ATOM 1412 OE1 GLN A 87 -14.338 11.369 -3.042 1.00 0.00 O ATOM 1413 NE2 GLN A 87 -12.327 11.247 -2.036 1.00 0.00 N ATOM 0 H GLN A 87 -14.497 6.300 -1.090 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.195 7.000 -3.849 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.569 8.590 -1.919 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.923 8.275 -1.408 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.004 9.184 -3.453 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.569 9.191 -4.240 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.499 10.681 -1.852 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -12.396 12.189 -1.651 1.00 0.00 H new ATOM 1422 N VAL A 88 -11.666 5.733 -2.210 1.00 0.00 N ATOM 1423 CA VAL A 88 -10.334 5.171 -2.356 1.00 0.00 C ATOM 1424 C VAL A 88 -10.364 4.067 -3.415 1.00 0.00 C ATOM 1425 O VAL A 88 -9.543 4.058 -4.331 1.00 0.00 O ATOM 1426 CB VAL A 88 -9.820 4.684 -1.000 1.00 0.00 C ATOM 1427 CG1 VAL A 88 -8.545 3.854 -1.163 1.00 0.00 C ATOM 1428 CG2 VAL A 88 -9.591 5.858 -0.047 1.00 0.00 C ATOM 0 H VAL A 88 -12.091 5.592 -1.293 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.634 5.933 -2.700 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.585 4.042 -0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.201 3.520 -0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.753 2.987 -1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.772 4.463 -1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.226 5.484 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.854 6.537 -0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.530 6.391 0.106 1.00 0.00 H new ATOM 1438 N LEU A 89 -11.319 3.163 -3.255 1.00 0.00 N ATOM 1439 CA LEU A 89 -11.467 2.057 -4.186 1.00 0.00 C ATOM 1440 C LEU A 89 -11.641 2.609 -5.603 1.00 0.00 C ATOM 1441 O LEU A 89 -11.117 2.044 -6.561 1.00 0.00 O ATOM 1442 CB LEU A 89 -12.601 1.131 -3.743 1.00 0.00 C ATOM 1443 CG LEU A 89 -12.500 0.581 -2.318 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -13.888 0.306 -1.737 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -11.603 -0.657 -2.271 1.00 0.00 C ATOM 0 H LEU A 89 -11.998 3.174 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.568 1.441 -4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.543 1.672 -3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.647 0.289 -4.434 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.033 1.340 -1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.788 -0.084 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.463 1.232 -1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.404 -0.426 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.548 -1.028 -1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.018 -1.432 -2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.603 -0.395 -2.616 1.00 0.00 H new ATOM 1457 N ARG A 90 -12.380 3.705 -5.690 1.00 0.00 N ATOM 1458 CA ARG A 90 -12.630 4.339 -6.973 1.00 0.00 C ATOM 1459 C ARG A 90 -11.310 4.625 -7.690 1.00 0.00 C ATOM 1460 O ARG A 90 -11.266 4.689 -8.918 1.00 0.00 O ATOM 1461 CB ARG A 90 -13.403 5.648 -6.799 1.00 0.00 C ATOM 1462 CG ARG A 90 -14.861 5.486 -7.234 1.00 0.00 C ATOM 1463 CD ARG A 90 -15.816 5.968 -6.140 1.00 0.00 C ATOM 1464 NE ARG A 90 -17.028 6.559 -6.750 1.00 0.00 N ATOM 1465 CZ ARG A 90 -17.062 7.761 -7.341 1.00 0.00 C ATOM 1466 NH1 ARG A 90 -15.951 8.508 -7.404 1.00 0.00 N ATOM 1467 NH2 ARG A 90 -18.206 8.217 -7.868 1.00 0.00 N ATOM 0 H ARG A 90 -12.814 4.170 -4.893 1.00 0.00 H new ATOM 0 HA ARG A 90 -13.230 3.653 -7.571 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.364 5.962 -5.756 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -12.930 6.435 -7.386 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -15.036 6.051 -8.149 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.062 4.439 -7.462 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -16.093 5.134 -5.495 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -15.319 6.706 -5.511 1.00 0.00 H new ATOM 0 HE ARG A 90 -17.892 6.017 -6.719 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -15.080 8.161 -7.002 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.977 9.423 -7.854 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -19.052 7.649 -7.819 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -18.231 9.132 -8.318 1.00 0.00 H new ATOM 1481 N GLU A 91 -10.264 4.791 -6.893 1.00 0.00 N ATOM 1482 CA GLU A 91 -8.946 5.069 -7.436 1.00 0.00 C ATOM 1483 C GLU A 91 -8.053 3.832 -7.324 1.00 0.00 C ATOM 1484 O GLU A 91 -7.346 3.484 -8.268 1.00 0.00 O ATOM 1485 CB GLU A 91 -8.307 6.271 -6.737 1.00 0.00 C ATOM 1486 CG GLU A 91 -9.212 7.502 -6.825 1.00 0.00 C ATOM 1487 CD GLU A 91 -8.784 8.416 -7.974 1.00 0.00 C ATOM 1488 OE1 GLU A 91 -7.635 8.906 -7.911 1.00 0.00 O ATOM 1489 OE2 GLU A 91 -9.614 8.605 -8.889 1.00 0.00 O ATOM 0 H GLU A 91 -10.303 4.738 -5.875 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.056 5.319 -8.491 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.117 6.029 -5.691 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.342 6.491 -7.194 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.246 7.188 -6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.176 8.052 -5.885 1.00 0.00 H new ATOM 1496 N ALA A 92 -8.115 3.201 -6.160 1.00 0.00 N ATOM 1497 CA ALA A 92 -7.321 2.009 -5.912 1.00 0.00 C ATOM 1498 C ALA A 92 -7.390 1.092 -7.134 1.00 0.00 C ATOM 1499 O ALA A 92 -8.445 0.955 -7.753 1.00 0.00 O ATOM 1500 CB ALA A 92 -7.816 1.322 -4.638 1.00 0.00 C ATOM 0 H ALA A 92 -8.702 3.493 -5.379 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.274 2.271 -5.756 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.221 0.428 -4.452 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.718 2.005 -3.795 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.863 1.042 -4.759 1.00 0.00 H new ATOM 1506 N ILE A 93 -6.254 0.486 -7.445 1.00 0.00 N ATOM 1507 CA ILE A 93 -6.172 -0.414 -8.583 1.00 0.00 C ATOM 1508 C ILE A 93 -5.313 -1.624 -8.209 1.00 0.00 C ATOM 1509 O ILE A 93 -4.198 -1.469 -7.715 1.00 0.00 O ATOM 1510 CB ILE A 93 -5.677 0.332 -9.823 1.00 0.00 C ATOM 1511 CG1 ILE A 93 -4.315 0.979 -9.566 1.00 0.00 C ATOM 1512 CG2 ILE A 93 -6.715 1.350 -10.301 1.00 0.00 C ATOM 1513 CD1 ILE A 93 -3.646 1.389 -10.880 1.00 0.00 C ATOM 0 H ILE A 93 -5.382 0.601 -6.928 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.161 -0.792 -8.842 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.543 -0.392 -10.627 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.439 1.854 -8.928 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.672 0.281 -9.029 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.338 1.867 -11.184 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.642 0.834 -10.550 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.905 2.075 -9.510 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.679 1.846 -10.669 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.502 0.508 -11.505 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.280 2.105 -11.403 1.00 0.00 H new ATOM 1525 N PRO A 94 -5.880 -2.833 -8.467 1.00 0.00 N ATOM 1526 CA PRO A 94 -5.178 -4.069 -8.163 1.00 0.00 C ATOM 1527 C PRO A 94 -4.068 -4.333 -9.182 1.00 0.00 C ATOM 1528 O PRO A 94 -4.342 -4.557 -10.360 1.00 0.00 O ATOM 1529 CB PRO A 94 -6.254 -5.143 -8.165 1.00 0.00 C ATOM 1530 CG PRO A 94 -7.432 -4.552 -8.922 1.00 0.00 C ATOM 1531 CD PRO A 94 -7.199 -3.055 -9.052 1.00 0.00 C ATOM 0 HA PRO A 94 -4.667 -4.037 -7.201 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.897 -6.053 -8.647 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.539 -5.412 -7.148 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.522 -5.011 -9.906 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.364 -4.749 -8.392 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.228 -2.739 -10.095 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.966 -2.488 -8.525 1.00 0.00 H new ATOM 1539 N LEU A 95 -2.838 -4.299 -8.691 1.00 0.00 N ATOM 1540 CA LEU A 95 -1.685 -4.532 -9.544 1.00 0.00 C ATOM 1541 C LEU A 95 -1.715 -5.975 -10.052 1.00 0.00 C ATOM 1542 O LEU A 95 -2.501 -6.310 -10.936 1.00 0.00 O ATOM 1543 CB LEU A 95 -0.393 -4.165 -8.812 1.00 0.00 C ATOM 1544 CG LEU A 95 0.859 -4.938 -9.231 1.00 0.00 C ATOM 1545 CD1 LEU A 95 1.978 -3.983 -9.652 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.309 -5.895 -8.125 1.00 0.00 C ATOM 0 H LEU A 95 -2.615 -4.114 -7.713 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.723 -3.884 -10.420 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.205 -3.101 -8.959 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.549 -4.316 -7.744 1.00 0.00 H new ATOM 0 HG LEU A 95 0.609 -5.546 -10.101 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.856 -4.558 -9.945 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.643 -3.378 -10.495 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.233 -3.331 -8.817 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.201 -6.432 -8.449 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.535 -5.327 -7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.512 -6.609 -7.915 1.00 0.00 H new TER 1558 LEU A 95