USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 407 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 45 ASN :FLIP amide:sc= -0.938 F(o=-1.8,f=-0.94) USER MOD Single : A 47 THR OG1 : rot 170:sc= -3.24 USER MOD Single : A 51 ASN : amide:sc= -1.73 K(o=-1.7,f=-2.8!) USER MOD Single : A 57 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0169) USER MOD Single : A 60 ASN : amide:sc= -0.0988 K(o=-0.099,f=-4.7!) USER MOD Single : A 68 LYS NZ :NH3+ -177:sc= -0.117 (180deg=-0.125) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -163:sc=-0.00866 (180deg=-0.0871) USER MOD Single : A 74 THR OG1 : rot 83:sc= -0.566 USER MOD Single : A 76 SER OG : rot -127:sc= -0.197 USER MOD Single : A 79 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.091) USER MOD Single : A 88 GLN : amide:sc= -0.475 X(o=-0.48,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 16 N ILE A 40 5.047 1.964 4.913 1.00 0.00 N ATOM 17 CA ILE A 40 4.119 2.946 4.362 1.00 0.00 C ATOM 18 C ILE A 40 4.715 4.349 4.434 1.00 0.00 C ATOM 19 O ILE A 40 5.205 4.771 5.481 1.00 0.00 O ATOM 20 CB ILE A 40 2.796 2.927 5.151 1.00 0.00 C ATOM 21 CG1 ILE A 40 2.275 1.493 5.288 1.00 0.00 C ATOM 22 CG2 ILE A 40 1.762 3.811 4.472 1.00 0.00 C ATOM 23 CD1 ILE A 40 2.110 1.046 6.725 1.00 0.00 C ATOM 0 HA ILE A 40 3.932 2.686 3.320 1.00 0.00 H new ATOM 0 HB ILE A 40 2.982 3.321 6.150 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.315 1.413 4.778 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.962 0.815 4.781 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.833 3.787 5.041 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.133 4.835 4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.578 3.446 3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.738 0.022 6.747 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.073 1.093 7.234 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.400 1.701 7.230 1.00 0.00 H new ATOM 35 N LEU A 41 4.631 5.084 3.329 1.00 0.00 N ATOM 36 CA LEU A 41 5.151 6.449 3.279 1.00 0.00 C ATOM 37 C LEU A 41 4.110 7.367 2.665 1.00 0.00 C ATOM 38 O LEU A 41 3.553 7.049 1.618 1.00 0.00 O ATOM 39 CB LEU A 41 6.407 6.491 2.411 1.00 0.00 C ATOM 40 CG LEU A 41 7.351 5.298 2.575 1.00 0.00 C ATOM 41 CD1 LEU A 41 8.453 5.341 1.527 1.00 0.00 C ATOM 42 CD2 LEU A 41 7.945 5.280 3.975 1.00 0.00 C ATOM 0 H LEU A 41 4.210 4.760 2.458 1.00 0.00 H new ATOM 0 HA LEU A 41 5.388 6.774 4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.105 6.554 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.957 7.404 2.640 1.00 0.00 H new ATOM 0 HG LEU A 41 6.778 4.382 2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.115 4.485 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.010 5.307 0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.025 6.262 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.614 4.425 4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.504 6.200 4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.143 5.201 4.709 1.00 0.00 H new ATOM 54 N ILE A 42 3.867 8.520 3.274 1.00 0.00 N ATOM 55 CA ILE A 42 2.892 9.440 2.711 1.00 0.00 C ATOM 56 C ILE A 42 3.483 10.820 2.444 1.00 0.00 C ATOM 57 O ILE A 42 4.103 11.433 3.313 1.00 0.00 O ATOM 58 CB ILE A 42 1.688 9.592 3.663 1.00 0.00 C ATOM 59 CG1 ILE A 42 0.608 10.470 3.027 1.00 0.00 C ATOM 60 CG2 ILE A 42 2.134 10.173 4.998 1.00 0.00 C ATOM 61 CD1 ILE A 42 -0.694 10.480 3.797 1.00 0.00 C ATOM 0 H ILE A 42 4.318 8.833 4.134 1.00 0.00 H new ATOM 0 HA ILE A 42 2.573 9.014 1.759 1.00 0.00 H new ATOM 0 HB ILE A 42 1.264 8.604 3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.982 11.491 2.948 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.418 10.120 2.012 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.272 10.273 5.657 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.867 9.509 5.457 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.583 11.153 4.836 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.413 11.123 3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.091 9.466 3.854 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.518 10.858 4.804 1.00 0.00 H new ATOM 73 N GLU A 43 3.226 11.314 1.239 1.00 0.00 N ATOM 74 CA GLU A 43 3.674 12.633 0.818 1.00 0.00 C ATOM 75 C GLU A 43 2.496 13.341 0.162 1.00 0.00 C ATOM 76 O GLU A 43 1.804 12.746 -0.662 1.00 0.00 O ATOM 77 CB GLU A 43 4.797 12.476 -0.210 1.00 0.00 C ATOM 78 CG GLU A 43 6.189 12.524 0.398 1.00 0.00 C ATOM 79 CD GLU A 43 7.281 12.577 -0.652 1.00 0.00 C ATOM 80 OE1 GLU A 43 7.438 11.586 -1.397 1.00 0.00 O ATOM 81 OE2 GLU A 43 7.980 13.609 -0.731 1.00 0.00 O ATOM 0 H GLU A 43 2.700 10.809 0.526 1.00 0.00 H new ATOM 0 HA GLU A 43 4.039 13.204 1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.670 11.528 -0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.708 13.265 -0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.269 13.398 1.045 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.337 11.647 1.027 1.00 0.00 H new ATOM 88 N GLY A 44 2.296 14.613 0.464 1.00 0.00 N ATOM 89 CA GLY A 44 1.202 15.341 -0.157 1.00 0.00 C ATOM 90 C GLY A 44 -0.154 14.702 0.118 1.00 0.00 C ATOM 91 O GLY A 44 -0.828 15.065 1.082 1.00 0.00 O ATOM 0 H GLY A 44 2.862 15.153 1.119 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.198 16.367 0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.366 15.389 -1.234 1.00 0.00 H new ATOM 95 N ASN A 45 -0.561 13.754 -0.733 1.00 0.00 N ATOM 96 CA ASN A 45 -1.854 13.081 -0.564 1.00 0.00 C ATOM 97 C ASN A 45 -1.825 11.609 -1.010 1.00 0.00 C ATOM 98 O ASN A 45 -2.815 10.894 -0.855 1.00 0.00 O ATOM 99 CB ASN A 45 -2.937 13.831 -1.341 1.00 0.00 C ATOM 100 CG ASN A 45 -2.914 15.323 -1.073 1.00 0.00 C ATOM 101 OD1 ASN A 45 -1.990 16.026 -1.718 1.00 0.00 O flip ATOM 102 ND2 ASN A 45 -3.718 15.838 -0.296 1.00 0.00 N flip ATOM 0 H ASN A 45 -0.020 13.438 -1.538 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.078 13.090 0.503 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.803 13.654 -2.408 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.915 13.432 -1.073 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.411 15.259 0.178 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.691 16.843 -0.126 1.00 0.00 H new ATOM 109 N ARG A 46 -0.699 11.160 -1.559 1.00 0.00 N ATOM 110 CA ARG A 46 -0.555 9.779 -2.018 1.00 0.00 C ATOM 111 C ARG A 46 0.471 9.041 -1.158 1.00 0.00 C ATOM 112 O ARG A 46 1.555 9.566 -0.884 1.00 0.00 O ATOM 113 CB ARG A 46 -0.083 9.800 -3.472 1.00 0.00 C ATOM 114 CG ARG A 46 1.119 10.700 -3.709 1.00 0.00 C ATOM 115 CD ARG A 46 0.694 12.106 -4.102 1.00 0.00 C ATOM 116 NE ARG A 46 1.520 12.646 -5.180 1.00 0.00 N ATOM 117 CZ ARG A 46 1.179 13.700 -5.917 1.00 0.00 C ATOM 118 NH1 ARG A 46 0.031 14.330 -5.697 1.00 0.00 N ATOM 119 NH2 ARG A 46 1.987 14.126 -6.878 1.00 0.00 N ATOM 0 H ARG A 46 0.132 11.735 -1.698 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.512 9.263 -1.937 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.168 8.785 -3.778 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.905 10.131 -4.107 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.727 10.742 -2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.744 10.275 -4.494 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.350 12.095 -4.416 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.759 12.761 -3.233 1.00 0.00 H new ATOM 0 HE ARG A 46 2.410 12.188 -5.379 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.595 14.007 -4.960 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.225 15.137 -6.265 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.870 13.646 -7.052 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.726 14.934 -7.443 1.00 0.00 H new ATOM 133 N THR A 47 0.168 7.793 -0.802 1.00 0.00 N ATOM 134 CA THR A 47 1.091 6.980 -0.020 1.00 0.00 C ATOM 135 C THR A 47 1.378 5.670 -0.745 1.00 0.00 C ATOM 136 O THR A 47 0.467 5.006 -1.223 1.00 0.00 O ATOM 137 CB THR A 47 0.450 6.686 1.334 1.00 0.00 C ATOM 138 OG1 THR A 47 0.208 7.885 2.047 1.00 0.00 O ATOM 139 CG2 THR A 47 1.285 5.785 2.219 1.00 0.00 C ATOM 0 H THR A 47 -0.707 7.327 -1.043 1.00 0.00 H new ATOM 0 HA THR A 47 2.030 7.516 0.116 1.00 0.00 H new ATOM 0 HB THR A 47 -0.481 6.169 1.100 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.344 7.692 2.833 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.766 5.620 3.163 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.442 4.829 1.720 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.249 6.256 2.412 1.00 0.00 H new ATOM 147 N ILE A 48 2.636 5.266 -0.740 1.00 0.00 N ATOM 148 CA ILE A 48 3.052 4.006 -1.352 1.00 0.00 C ATOM 149 C ILE A 48 3.448 3.007 -0.271 1.00 0.00 C ATOM 150 O ILE A 48 4.188 3.348 0.657 1.00 0.00 O ATOM 151 CB ILE A 48 4.268 4.254 -2.264 1.00 0.00 C ATOM 152 CG1 ILE A 48 3.978 5.397 -3.238 1.00 0.00 C ATOM 153 CG2 ILE A 48 4.631 2.984 -3.020 1.00 0.00 C ATOM 154 CD1 ILE A 48 4.470 6.743 -2.754 1.00 0.00 C ATOM 0 H ILE A 48 3.398 5.795 -0.315 1.00 0.00 H new ATOM 0 HA ILE A 48 2.222 3.606 -1.934 1.00 0.00 H new ATOM 0 HB ILE A 48 5.117 4.539 -1.643 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.444 5.173 -4.198 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.903 5.453 -3.410 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.492 3.175 -3.660 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.876 2.195 -2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.786 2.671 -3.633 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.230 7.506 -3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.985 6.989 -1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.550 6.705 -2.609 1.00 0.00 H new ATOM 166 N ILE A 49 3.033 1.749 -0.432 1.00 0.00 N ATOM 167 CA ILE A 49 3.400 0.716 0.521 1.00 0.00 C ATOM 168 C ILE A 49 4.157 -0.416 -0.151 1.00 0.00 C ATOM 169 O ILE A 49 3.755 -0.924 -1.196 1.00 0.00 O ATOM 170 CB ILE A 49 2.167 0.141 1.240 1.00 0.00 C ATOM 171 CG1 ILE A 49 1.386 1.264 1.918 1.00 0.00 C ATOM 172 CG2 ILE A 49 2.582 -0.910 2.260 1.00 0.00 C ATOM 173 CD1 ILE A 49 0.081 0.810 2.534 1.00 0.00 C ATOM 0 H ILE A 49 2.450 1.430 -1.206 1.00 0.00 H new ATOM 0 HA ILE A 49 4.048 1.192 1.257 1.00 0.00 H new ATOM 0 HB ILE A 49 1.525 -0.338 0.501 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.008 1.710 2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.180 2.045 1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.696 -1.304 2.757 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.105 -1.721 1.754 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.243 -0.458 3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.418 1.661 2.997 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.561 0.390 1.759 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.280 0.051 3.290 1.00 0.00 H new ATOM 185 N ARG A 50 5.250 -0.809 0.479 1.00 0.00 N ATOM 186 CA ARG A 50 6.076 -1.893 -0.024 1.00 0.00 C ATOM 187 C ARG A 50 5.496 -3.223 0.427 1.00 0.00 C ATOM 188 O ARG A 50 6.149 -3.998 1.127 1.00 0.00 O ATOM 189 CB ARG A 50 7.516 -1.745 0.476 1.00 0.00 C ATOM 190 CG ARG A 50 8.493 -2.699 -0.192 1.00 0.00 C ATOM 191 CD ARG A 50 9.482 -1.958 -1.078 1.00 0.00 C ATOM 192 NE ARG A 50 8.818 -0.989 -1.947 1.00 0.00 N ATOM 193 CZ ARG A 50 9.449 0.002 -2.570 1.00 0.00 C ATOM 194 NH1 ARG A 50 10.759 0.160 -2.424 1.00 0.00 N ATOM 195 NH2 ARG A 50 8.769 0.839 -3.342 1.00 0.00 N ATOM 0 H ARG A 50 5.588 -0.391 1.346 1.00 0.00 H new ATOM 0 HA ARG A 50 6.087 -1.856 -1.113 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.847 -0.721 0.306 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.537 -1.912 1.553 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.035 -3.258 0.570 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.942 -3.426 -0.789 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.213 -1.444 -0.454 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.031 -2.676 -1.688 1.00 0.00 H new ATOM 0 HE ARG A 50 7.811 -1.078 -2.084 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.287 -0.481 -1.831 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.237 0.922 -2.904 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.762 0.723 -3.458 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.253 1.599 -3.820 1.00 0.00 H new ATOM 209 N ASN A 51 4.252 -3.476 0.032 1.00 0.00 N ATOM 210 CA ASN A 51 3.571 -4.704 0.407 1.00 0.00 C ATOM 211 C ASN A 51 3.846 -5.822 -0.584 1.00 0.00 C ATOM 212 O ASN A 51 3.031 -6.729 -0.751 1.00 0.00 O ATOM 213 CB ASN A 51 2.067 -4.464 0.522 1.00 0.00 C ATOM 214 CG ASN A 51 1.398 -5.429 1.481 1.00 0.00 C ATOM 215 OD1 ASN A 51 0.537 -6.216 1.088 1.00 0.00 O ATOM 216 ND2 ASN A 51 1.790 -5.371 2.749 1.00 0.00 N ATOM 0 H ASN A 51 3.698 -2.845 -0.547 1.00 0.00 H new ATOM 0 HA ASN A 51 3.960 -5.013 1.377 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.890 -3.442 0.857 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.610 -4.560 -0.463 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.374 -5.995 3.441 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.507 -4.703 3.031 1.00 0.00 H new ATOM 223 N PHE A 52 4.984 -5.738 -1.258 1.00 0.00 N ATOM 224 CA PHE A 52 5.348 -6.732 -2.258 1.00 0.00 C ATOM 225 C PHE A 52 5.084 -8.172 -1.824 1.00 0.00 C ATOM 226 O PHE A 52 4.574 -8.937 -2.621 1.00 0.00 O ATOM 227 CB PHE A 52 6.805 -6.621 -2.707 1.00 0.00 C ATOM 228 CG PHE A 52 7.059 -7.363 -4.001 1.00 0.00 C ATOM 229 CD1 PHE A 52 5.995 -7.861 -4.753 1.00 0.00 C ATOM 230 CD2 PHE A 52 8.347 -7.568 -4.467 1.00 0.00 C ATOM 231 CE1 PHE A 52 6.209 -8.540 -5.933 1.00 0.00 C ATOM 232 CE2 PHE A 52 8.570 -8.251 -5.652 1.00 0.00 C ATOM 233 CZ PHE A 52 7.500 -8.736 -6.385 1.00 0.00 C ATOM 0 H PHE A 52 5.670 -4.994 -1.131 1.00 0.00 H new ATOM 0 HA PHE A 52 4.691 -6.499 -3.096 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.066 -5.570 -2.835 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.455 -7.018 -1.928 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.984 -7.712 -4.404 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.186 -7.192 -3.901 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.372 -8.917 -6.502 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.579 -8.405 -6.004 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.674 -9.267 -7.309 1.00 0.00 H new ATOM 243 N ARG A 53 5.424 -8.576 -0.604 1.00 0.00 N ATOM 244 CA ARG A 53 5.178 -9.973 -0.189 1.00 0.00 C ATOM 245 C ARG A 53 3.766 -10.425 -0.607 1.00 0.00 C ATOM 246 O ARG A 53 3.578 -11.181 -1.579 1.00 0.00 O ATOM 247 CB ARG A 53 5.349 -10.116 1.326 1.00 0.00 C ATOM 248 CG ARG A 53 6.331 -11.205 1.726 1.00 0.00 C ATOM 249 CD ARG A 53 7.110 -10.822 2.974 1.00 0.00 C ATOM 250 NE ARG A 53 8.396 -10.209 2.650 1.00 0.00 N ATOM 251 CZ ARG A 53 9.408 -10.109 3.509 1.00 0.00 C ATOM 252 NH1 ARG A 53 9.287 -10.580 4.744 1.00 0.00 N ATOM 253 NH2 ARG A 53 10.543 -9.538 3.132 1.00 0.00 N ATOM 0 H ARG A 53 5.859 -7.984 0.104 1.00 0.00 H new ATOM 0 HA ARG A 53 5.907 -10.611 -0.688 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.687 -9.165 1.737 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.379 -10.330 1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.792 -12.135 1.904 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.024 -11.390 0.906 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.518 -10.129 3.572 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.275 -11.709 3.585 1.00 0.00 H new ATOM 0 HE ARG A 53 8.526 -9.835 1.710 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.416 -11.021 5.039 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.065 -10.501 5.398 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.641 -9.175 2.184 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.319 -9.461 3.790 1.00 0.00 H new ATOM 267 N GLU A 54 2.778 -9.910 0.117 1.00 0.00 N ATOM 268 CA GLU A 54 1.383 -10.193 -0.173 1.00 0.00 C ATOM 269 C GLU A 54 1.140 -9.965 -1.654 1.00 0.00 C ATOM 270 O GLU A 54 0.523 -10.781 -2.338 1.00 0.00 O ATOM 271 CB GLU A 54 0.465 -9.296 0.661 1.00 0.00 C ATOM 272 CG GLU A 54 -0.037 -9.956 1.935 1.00 0.00 C ATOM 273 CD GLU A 54 0.558 -9.340 3.186 1.00 0.00 C ATOM 274 OE1 GLU A 54 1.677 -9.740 3.571 1.00 0.00 O ATOM 275 OE2 GLU A 54 -0.096 -8.457 3.781 1.00 0.00 O ATOM 0 H GLU A 54 2.923 -9.290 0.914 1.00 0.00 H new ATOM 0 HA GLU A 54 1.160 -11.229 0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.001 -8.384 0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.390 -9.001 0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.123 -9.876 1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.204 -11.019 1.908 1.00 0.00 H new ATOM 282 N LEU A 55 1.642 -8.833 -2.132 1.00 0.00 N ATOM 283 CA LEU A 55 1.508 -8.448 -3.526 1.00 0.00 C ATOM 284 C LEU A 55 1.882 -9.595 -4.464 1.00 0.00 C ATOM 285 O LEU A 55 1.132 -9.888 -5.378 1.00 0.00 O ATOM 286 CB LEU A 55 2.369 -7.215 -3.818 1.00 0.00 C ATOM 287 CG LEU A 55 1.603 -5.941 -4.202 1.00 0.00 C ATOM 288 CD1 LEU A 55 1.259 -5.948 -5.682 1.00 0.00 C ATOM 289 CD2 LEU A 55 0.341 -5.783 -3.363 1.00 0.00 C ATOM 0 H LEU A 55 2.153 -8.158 -1.562 1.00 0.00 H new ATOM 0 HA LEU A 55 0.461 -8.203 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.974 -7.001 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.058 -7.460 -4.626 1.00 0.00 H new ATOM 0 HG LEU A 55 2.251 -5.088 -4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.716 -5.037 -5.934 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.176 -5.998 -6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.637 -6.814 -5.907 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.180 -4.872 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.311 -6.642 -3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.610 -5.722 -2.309 1.00 0.00 H new ATOM 301 N ALA A 56 3.019 -10.248 -4.250 1.00 0.00 N ATOM 302 CA ALA A 56 3.443 -11.361 -5.095 1.00 0.00 C ATOM 303 C ALA A 56 2.324 -12.381 -5.198 1.00 0.00 C ATOM 304 O ALA A 56 1.873 -12.735 -6.297 1.00 0.00 O ATOM 305 CB ALA A 56 4.703 -12.005 -4.534 1.00 0.00 C ATOM 0 H ALA A 56 3.667 -10.025 -3.495 1.00 0.00 H new ATOM 0 HA ALA A 56 3.670 -10.983 -6.092 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.005 -12.833 -5.176 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.503 -11.266 -4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.504 -12.379 -3.529 1.00 0.00 H new ATOM 311 N LYS A 57 1.837 -12.822 -4.043 1.00 0.00 N ATOM 312 CA LYS A 57 0.722 -13.767 -4.038 1.00 0.00 C ATOM 313 C LYS A 57 -0.416 -13.158 -4.857 1.00 0.00 C ATOM 314 O LYS A 57 -0.992 -13.778 -5.767 1.00 0.00 O ATOM 315 CB LYS A 57 0.257 -14.053 -2.608 1.00 0.00 C ATOM 316 CG LYS A 57 1.086 -15.111 -1.898 1.00 0.00 C ATOM 317 CD LYS A 57 1.290 -14.767 -0.431 1.00 0.00 C ATOM 318 CE LYS A 57 1.876 -15.939 0.340 1.00 0.00 C ATOM 319 NZ LYS A 57 3.223 -16.320 -0.167 1.00 0.00 N ATOM 0 H LYS A 57 2.183 -12.551 -3.122 1.00 0.00 H new ATOM 0 HA LYS A 57 1.037 -14.715 -4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.293 -13.129 -2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.784 -14.374 -2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.591 -16.079 -1.981 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.055 -15.206 -2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.954 -13.907 -0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.337 -14.479 0.012 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.946 -15.680 1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.205 -16.795 0.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.595 -17.112 0.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.150 -16.608 -1.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.866 -15.507 -0.088 1.00 0.00 H new ATOM 333 N ALA A 58 -0.702 -11.909 -4.532 1.00 0.00 N ATOM 334 CA ALA A 58 -1.727 -11.145 -5.206 1.00 0.00 C ATOM 335 C ALA A 58 -1.566 -11.202 -6.721 1.00 0.00 C ATOM 336 O ALA A 58 -2.538 -11.436 -7.435 1.00 0.00 O ATOM 337 CB ALA A 58 -1.708 -9.701 -4.726 1.00 0.00 C ATOM 0 H ALA A 58 -0.225 -11.398 -3.789 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.691 -11.591 -4.959 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.485 -9.136 -5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.891 -9.672 -3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.735 -9.259 -4.941 1.00 0.00 H new ATOM 343 N VAL A 59 -0.357 -10.958 -7.232 1.00 0.00 N ATOM 344 CA VAL A 59 -0.143 -10.956 -8.670 1.00 0.00 C ATOM 345 C VAL A 59 -0.718 -12.191 -9.290 1.00 0.00 C ATOM 346 O VAL A 59 -1.517 -12.052 -10.215 1.00 0.00 O ATOM 347 CB VAL A 59 1.320 -10.725 -9.140 1.00 0.00 C ATOM 348 CG1 VAL A 59 2.248 -10.315 -8.002 1.00 0.00 C ATOM 349 CG2 VAL A 59 1.881 -11.940 -9.871 1.00 0.00 C ATOM 0 H VAL A 59 0.475 -10.762 -6.675 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.677 -10.074 -9.024 1.00 0.00 H new ATOM 0 HB VAL A 59 1.277 -9.892 -9.841 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.256 -10.168 -8.390 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.891 -9.386 -7.558 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.262 -11.098 -7.244 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.906 -11.736 -10.182 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.869 -12.803 -9.205 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.270 -12.151 -10.749 1.00 0.00 H new ATOM 359 N ASN A 60 -0.377 -13.358 -8.747 1.00 0.00 N ATOM 360 CA ASN A 60 -0.931 -14.605 -9.251 1.00 0.00 C ATOM 361 C ASN A 60 -2.446 -14.470 -9.371 1.00 0.00 C ATOM 362 O ASN A 60 -3.061 -15.017 -10.287 1.00 0.00 O ATOM 363 CB ASN A 60 -0.578 -15.766 -8.319 1.00 0.00 C ATOM 364 CG ASN A 60 0.897 -16.112 -8.360 1.00 0.00 C ATOM 365 OD1 ASN A 60 1.743 -15.249 -8.595 1.00 0.00 O ATOM 366 ND2 ASN A 60 1.213 -17.381 -8.130 1.00 0.00 N ATOM 0 H ASN A 60 0.273 -13.463 -7.968 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.504 -14.814 -10.232 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.859 -15.507 -7.298 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.162 -16.643 -8.598 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.190 -17.674 -8.144 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.479 -18.063 -7.939 1.00 0.00 H new ATOM 373 N ARG A 61 -3.038 -13.716 -8.444 1.00 0.00 N ATOM 374 CA ARG A 61 -4.486 -13.485 -8.455 1.00 0.00 C ATOM 375 C ARG A 61 -4.826 -12.032 -8.831 1.00 0.00 C ATOM 376 O ARG A 61 -5.853 -11.502 -8.407 1.00 0.00 O ATOM 377 CB ARG A 61 -5.079 -13.818 -7.084 1.00 0.00 C ATOM 378 CG ARG A 61 -6.361 -14.632 -7.156 1.00 0.00 C ATOM 379 CD ARG A 61 -6.643 -15.340 -5.840 1.00 0.00 C ATOM 380 NE ARG A 61 -7.664 -16.375 -5.982 1.00 0.00 N ATOM 381 CZ ARG A 61 -8.973 -16.129 -5.997 1.00 0.00 C ATOM 382 NH1 ARG A 61 -9.424 -14.886 -5.883 1.00 0.00 N ATOM 383 NH2 ARG A 61 -9.833 -17.130 -6.128 1.00 0.00 N ATOM 0 H ARG A 61 -2.542 -13.257 -7.680 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.921 -14.138 -9.211 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.340 -14.370 -6.502 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.278 -12.890 -6.548 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.196 -13.977 -7.405 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.283 -15.367 -7.957 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.723 -15.788 -5.465 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.968 -14.610 -5.098 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.356 -17.343 -6.075 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.767 -14.112 -5.783 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.428 -14.704 -5.895 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.492 -18.087 -6.217 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.836 -16.943 -6.140 1.00 0.00 H new ATOM 397 N ASP A 62 -3.936 -11.385 -9.594 1.00 0.00 N ATOM 398 CA ASP A 62 -4.104 -9.981 -9.997 1.00 0.00 C ATOM 399 C ASP A 62 -3.588 -9.048 -8.914 1.00 0.00 C ATOM 400 O ASP A 62 -4.357 -8.429 -8.178 1.00 0.00 O ATOM 401 CB ASP A 62 -5.566 -9.665 -10.329 1.00 0.00 C ATOM 402 CG ASP A 62 -6.235 -10.772 -11.123 1.00 0.00 C ATOM 403 OD1 ASP A 62 -5.585 -11.325 -12.034 1.00 0.00 O ATOM 404 OD2 ASP A 62 -7.408 -11.085 -10.832 1.00 0.00 O ATOM 0 H ASP A 62 -3.083 -11.817 -9.949 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.516 -9.823 -10.901 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.118 -9.502 -9.403 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.613 -8.736 -10.897 1.00 0.00 H new ATOM 409 N GLU A 63 -2.265 -8.936 -8.861 1.00 0.00 N ATOM 410 CA GLU A 63 -1.592 -8.050 -7.906 1.00 0.00 C ATOM 411 C GLU A 63 -2.115 -6.669 -8.129 1.00 0.00 C ATOM 412 O GLU A 63 -2.431 -5.923 -7.199 1.00 0.00 O ATOM 413 CB GLU A 63 -0.076 -8.020 -8.105 1.00 0.00 C ATOM 414 CG GLU A 63 0.360 -7.722 -9.531 1.00 0.00 C ATOM 415 CD GLU A 63 1.869 -7.673 -9.680 1.00 0.00 C ATOM 416 OE1 GLU A 63 2.548 -7.272 -8.712 1.00 0.00 O ATOM 417 OE2 GLU A 63 2.370 -8.036 -10.765 1.00 0.00 O ATOM 0 H GLU A 63 -1.630 -9.450 -9.471 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.789 -8.418 -6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.351 -7.268 -7.442 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.338 -8.983 -7.804 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.043 -8.485 -10.197 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.064 -6.768 -9.845 1.00 0.00 H new ATOM 424 N GLU A 64 -2.204 -6.351 -9.408 1.00 0.00 N ATOM 425 CA GLU A 64 -2.700 -5.050 -9.825 1.00 0.00 C ATOM 426 C GLU A 64 -4.025 -4.768 -9.120 1.00 0.00 C ATOM 427 O GLU A 64 -4.203 -3.759 -8.413 1.00 0.00 O ATOM 428 CB GLU A 64 -2.887 -5.020 -11.344 1.00 0.00 C ATOM 429 CG GLU A 64 -1.583 -4.908 -12.116 1.00 0.00 C ATOM 430 CD GLU A 64 -0.743 -3.725 -11.678 1.00 0.00 C ATOM 431 OE1 GLU A 64 -0.947 -2.618 -12.220 1.00 0.00 O ATOM 432 OE2 GLU A 64 0.119 -3.904 -10.792 1.00 0.00 O ATOM 0 H GLU A 64 -1.941 -6.972 -10.173 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.978 -4.280 -9.553 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.407 -5.926 -11.655 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.528 -4.178 -11.606 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.008 -5.825 -11.985 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.802 -4.819 -13.180 1.00 0.00 H new ATOM 439 N PHE A 65 -4.939 -5.707 -9.306 1.00 0.00 N ATOM 440 CA PHE A 65 -6.249 -5.642 -8.702 1.00 0.00 C ATOM 441 C PHE A 65 -6.146 -5.381 -7.208 1.00 0.00 C ATOM 442 O PHE A 65 -6.857 -4.528 -6.680 1.00 0.00 O ATOM 443 CB PHE A 65 -7.021 -6.937 -8.957 1.00 0.00 C ATOM 444 CG PHE A 65 -8.433 -6.713 -9.416 1.00 0.00 C ATOM 445 CD1 PHE A 65 -8.695 -5.958 -10.548 1.00 0.00 C ATOM 446 CD2 PHE A 65 -9.498 -7.257 -8.717 1.00 0.00 C ATOM 447 CE1 PHE A 65 -9.993 -5.749 -10.974 1.00 0.00 C ATOM 448 CE2 PHE A 65 -10.799 -7.051 -9.137 1.00 0.00 C ATOM 449 CZ PHE A 65 -11.046 -6.297 -10.268 1.00 0.00 C ATOM 0 H PHE A 65 -4.788 -6.535 -9.882 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.790 -4.814 -9.160 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.492 -7.524 -9.708 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.035 -7.529 -8.042 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.875 -5.528 -11.104 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.310 -7.849 -7.834 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.184 -5.158 -11.858 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.621 -7.479 -8.582 1.00 0.00 H new ATOM 0 HZ PHE A 65 -12.061 -6.136 -10.600 1.00 0.00 H new ATOM 459 N PHE A 66 -5.292 -6.136 -6.505 1.00 0.00 N ATOM 460 CA PHE A 66 -5.197 -5.947 -5.068 1.00 0.00 C ATOM 461 C PHE A 66 -4.968 -4.485 -4.667 1.00 0.00 C ATOM 462 O PHE A 66 -5.797 -3.916 -3.964 1.00 0.00 O ATOM 463 CB PHE A 66 -4.139 -6.763 -4.339 1.00 0.00 C ATOM 464 CG PHE A 66 -4.070 -6.133 -2.995 1.00 0.00 C ATOM 465 CD1 PHE A 66 -5.141 -6.292 -2.136 1.00 0.00 C ATOM 466 CD2 PHE A 66 -3.083 -5.220 -2.681 1.00 0.00 C ATOM 467 CE1 PHE A 66 -5.214 -5.581 -0.968 1.00 0.00 C ATOM 468 CE2 PHE A 66 -3.173 -4.473 -1.532 1.00 0.00 C ATOM 469 CZ PHE A 66 -4.238 -4.659 -0.674 1.00 0.00 C ATOM 0 H PHE A 66 -4.682 -6.854 -6.896 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.177 -6.308 -4.755 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.419 -7.814 -4.274 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.178 -6.720 -4.851 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.930 -6.985 -2.389 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.238 -5.093 -3.341 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.033 -5.744 -0.283 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.412 -3.742 -1.300 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.305 -4.077 0.233 1.00 0.00 H new ATOM 479 N ALA A 67 -3.830 -3.869 -5.042 1.00 0.00 N ATOM 480 CA ALA A 67 -3.589 -2.498 -4.618 1.00 0.00 C ATOM 481 C ALA A 67 -4.892 -1.736 -4.735 1.00 0.00 C ATOM 482 O ALA A 67 -5.305 -1.051 -3.794 1.00 0.00 O ATOM 483 CB ALA A 67 -2.480 -1.845 -5.427 1.00 0.00 C ATOM 0 H ALA A 67 -3.097 -4.287 -5.614 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.248 -2.487 -3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.330 -0.823 -5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.556 -2.410 -5.301 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.757 -1.834 -6.481 1.00 0.00 H new ATOM 489 N LYS A 68 -5.581 -1.909 -5.866 1.00 0.00 N ATOM 490 CA LYS A 68 -6.886 -1.276 -6.024 1.00 0.00 C ATOM 491 C LYS A 68 -7.686 -1.466 -4.723 1.00 0.00 C ATOM 492 O LYS A 68 -8.232 -0.511 -4.172 1.00 0.00 O ATOM 493 CB LYS A 68 -7.646 -1.880 -7.208 1.00 0.00 C ATOM 494 CG LYS A 68 -8.674 -0.940 -7.814 1.00 0.00 C ATOM 495 CD LYS A 68 -8.053 -0.036 -8.866 1.00 0.00 C ATOM 496 CE LYS A 68 -8.289 -0.571 -10.269 1.00 0.00 C ATOM 497 NZ LYS A 68 -7.665 -1.908 -10.467 1.00 0.00 N ATOM 0 H LYS A 68 -5.267 -2.465 -6.662 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.750 -0.213 -6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.931 -2.169 -7.979 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.147 -2.791 -6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.480 -1.521 -8.262 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.120 -0.331 -7.027 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.475 0.966 -8.782 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.982 0.053 -8.685 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.361 -0.640 -10.456 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.883 0.130 -10.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.805 -2.214 -11.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.647 -1.849 -10.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.107 -2.596 -9.824 1.00 0.00 H new ATOM 511 N TYR A 69 -7.715 -2.711 -4.228 1.00 0.00 N ATOM 512 CA TYR A 69 -8.397 -3.084 -2.977 1.00 0.00 C ATOM 513 C TYR A 69 -8.106 -2.091 -1.875 1.00 0.00 C ATOM 514 O TYR A 69 -9.025 -1.538 -1.273 1.00 0.00 O ATOM 515 CB TYR A 69 -7.970 -4.484 -2.510 1.00 0.00 C ATOM 516 CG TYR A 69 -8.834 -5.597 -3.058 1.00 0.00 C ATOM 517 CD1 TYR A 69 -8.713 -6.010 -4.379 1.00 0.00 C ATOM 518 CD2 TYR A 69 -9.771 -6.235 -2.255 1.00 0.00 C ATOM 519 CE1 TYR A 69 -9.501 -7.027 -4.884 1.00 0.00 C ATOM 520 CE2 TYR A 69 -10.562 -7.253 -2.752 1.00 0.00 C ATOM 521 CZ TYR A 69 -10.423 -7.645 -4.067 1.00 0.00 C ATOM 522 OH TYR A 69 -11.209 -8.658 -4.567 1.00 0.00 O ATOM 0 H TYR A 69 -7.260 -3.499 -4.690 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.467 -3.083 -3.187 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.936 -4.658 -2.809 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.997 -4.518 -1.421 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.991 -5.528 -5.022 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.883 -5.930 -1.225 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.395 -7.336 -5.913 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -11.285 -7.739 -2.114 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.805 -8.988 -3.862 1.00 0.00 H new ATOM 532 N LEU A 70 -6.824 -1.854 -1.617 1.00 0.00 N ATOM 533 CA LEU A 70 -6.440 -0.897 -0.586 1.00 0.00 C ATOM 534 C LEU A 70 -7.307 0.342 -0.735 1.00 0.00 C ATOM 535 O LEU A 70 -7.901 0.830 0.227 1.00 0.00 O ATOM 536 CB LEU A 70 -4.957 -0.539 -0.678 1.00 0.00 C ATOM 537 CG LEU A 70 -4.244 -0.447 0.673 1.00 0.00 C ATOM 538 CD1 LEU A 70 -4.979 0.507 1.602 1.00 0.00 C ATOM 539 CD2 LEU A 70 -4.133 -1.825 1.310 1.00 0.00 C ATOM 0 H LEU A 70 -6.045 -2.303 -2.099 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.595 -1.343 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.453 -1.286 -1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.858 0.416 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.239 -0.059 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.457 0.559 2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.012 1.499 1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.995 0.147 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.624 -1.742 2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.131 -2.237 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.565 -2.485 0.654 1.00 0.00 H new ATOM 551 N LEU A 71 -7.405 0.808 -1.972 1.00 0.00 N ATOM 552 CA LEU A 71 -8.236 1.953 -2.298 1.00 0.00 C ATOM 553 C LEU A 71 -9.687 1.616 -1.985 1.00 0.00 C ATOM 554 O LEU A 71 -10.380 2.379 -1.313 1.00 0.00 O ATOM 555 CB LEU A 71 -8.066 2.342 -3.774 1.00 0.00 C ATOM 556 CG LEU A 71 -9.351 2.438 -4.605 1.00 0.00 C ATOM 557 CD1 LEU A 71 -10.196 3.617 -4.149 1.00 0.00 C ATOM 558 CD2 LEU A 71 -9.018 2.560 -6.084 1.00 0.00 C ATOM 0 H LEU A 71 -6.914 0.405 -2.770 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.930 2.809 -1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.558 3.305 -3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.407 1.613 -4.246 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.928 1.525 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.104 3.668 -4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.463 3.489 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.628 4.540 -4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.941 2.627 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.421 3.457 -6.250 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.454 1.684 -6.403 1.00 0.00 H new ATOM 570 N LYS A 72 -10.135 0.450 -2.461 1.00 0.00 N ATOM 571 CA LYS A 72 -11.495 0.000 -2.208 1.00 0.00 C ATOM 572 C LYS A 72 -11.815 0.153 -0.729 1.00 0.00 C ATOM 573 O LYS A 72 -12.856 0.693 -0.353 1.00 0.00 O ATOM 574 CB LYS A 72 -11.676 -1.456 -2.644 1.00 0.00 C ATOM 575 CG LYS A 72 -11.514 -1.667 -4.141 1.00 0.00 C ATOM 576 CD LYS A 72 -12.372 -2.821 -4.638 1.00 0.00 C ATOM 577 CE LYS A 72 -13.267 -2.395 -5.791 1.00 0.00 C ATOM 578 NZ LYS A 72 -14.293 -1.406 -5.361 1.00 0.00 N ATOM 0 H LYS A 72 -9.574 -0.192 -3.020 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.182 0.614 -2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.951 -2.077 -2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.667 -1.797 -2.342 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.788 -0.754 -4.670 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.467 -1.866 -4.370 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.730 -3.641 -4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.986 -3.198 -3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.657 -1.963 -6.584 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.761 -3.272 -6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.048 -1.357 -6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.697 -1.699 -4.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.852 -0.470 -5.259 1.00 0.00 H new ATOM 592 N GLU A 73 -10.898 -0.326 0.104 1.00 0.00 N ATOM 593 CA GLU A 73 -11.060 -0.246 1.551 1.00 0.00 C ATOM 594 C GLU A 73 -11.229 1.204 2.002 1.00 0.00 C ATOM 595 O GLU A 73 -12.149 1.526 2.753 1.00 0.00 O ATOM 596 CB GLU A 73 -9.855 -0.874 2.254 1.00 0.00 C ATOM 597 CG GLU A 73 -10.020 -2.359 2.533 1.00 0.00 C ATOM 598 CD GLU A 73 -9.504 -2.755 3.903 1.00 0.00 C ATOM 599 OE1 GLU A 73 -8.270 -2.861 4.065 1.00 0.00 O ATOM 600 OE2 GLU A 73 -10.335 -2.959 4.814 1.00 0.00 O ATOM 0 H GLU A 73 -10.033 -0.775 -0.199 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.960 -0.798 1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.968 -0.725 1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.682 -0.353 3.196 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.074 -2.625 2.455 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.490 -2.929 1.770 1.00 0.00 H new ATOM 607 N THR A 74 -10.331 2.074 1.543 1.00 0.00 N ATOM 608 CA THR A 74 -10.380 3.488 1.905 1.00 0.00 C ATOM 609 C THR A 74 -11.550 4.192 1.221 1.00 0.00 C ATOM 610 O THR A 74 -12.526 4.565 1.871 1.00 0.00 O ATOM 611 CB THR A 74 -9.066 4.176 1.530 1.00 0.00 C ATOM 612 OG1 THR A 74 -7.969 3.537 2.160 1.00 0.00 O ATOM 613 CG2 THR A 74 -9.026 5.640 1.912 1.00 0.00 C ATOM 0 H THR A 74 -9.562 1.824 0.921 1.00 0.00 H new ATOM 0 HA THR A 74 -10.525 3.554 2.983 1.00 0.00 H new ATOM 0 HB THR A 74 -8.999 4.099 0.445 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.696 2.759 1.631 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.067 6.067 1.618 1.00 0.00 H new ATOM 0 HG22 THR A 74 -9.831 6.171 1.403 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.151 5.738 2.990 1.00 0.00 H new ATOM 621 N GLY A 75 -11.450 4.368 -0.095 1.00 0.00 N ATOM 622 CA GLY A 75 -12.515 5.023 -0.835 1.00 0.00 C ATOM 623 C GLY A 75 -12.013 6.119 -1.759 1.00 0.00 C ATOM 624 O GLY A 75 -12.521 6.280 -2.868 1.00 0.00 O ATOM 0 H GLY A 75 -10.654 4.070 -0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.052 4.278 -1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.230 5.449 -0.131 1.00 0.00 H new ATOM 628 N SER A 76 -11.022 6.881 -1.302 1.00 0.00 N ATOM 629 CA SER A 76 -10.465 7.972 -2.101 1.00 0.00 C ATOM 630 C SER A 76 -10.020 7.474 -3.481 1.00 0.00 C ATOM 631 O SER A 76 -10.845 7.318 -4.381 1.00 0.00 O ATOM 632 CB SER A 76 -9.301 8.633 -1.358 1.00 0.00 C ATOM 633 OG SER A 76 -8.487 9.381 -2.245 1.00 0.00 O ATOM 0 H SER A 76 -10.589 6.765 -0.386 1.00 0.00 H new ATOM 0 HA SER A 76 -11.246 8.717 -2.254 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.689 9.287 -0.577 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.700 7.869 -0.865 1.00 0.00 H new ATOM 0 HG SER A 76 -7.552 9.105 -2.142 1.00 0.00 H new ATOM 639 N ALA A 77 -8.722 7.218 -3.648 1.00 0.00 N ATOM 640 CA ALA A 77 -8.202 6.731 -4.926 1.00 0.00 C ATOM 641 C ALA A 77 -7.083 5.736 -4.680 1.00 0.00 C ATOM 642 O ALA A 77 -6.432 5.797 -3.645 1.00 0.00 O ATOM 643 CB ALA A 77 -7.710 7.892 -5.777 1.00 0.00 C ATOM 0 H ALA A 77 -8.017 7.338 -2.921 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.004 6.230 -5.468 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.327 7.512 -6.724 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.535 8.578 -5.969 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.915 8.419 -5.249 1.00 0.00 H new ATOM 649 N GLY A 78 -6.858 4.809 -5.606 1.00 0.00 N ATOM 650 CA GLY A 78 -5.803 3.828 -5.399 1.00 0.00 C ATOM 651 C GLY A 78 -4.861 3.665 -6.574 1.00 0.00 C ATOM 652 O GLY A 78 -5.214 3.944 -7.720 1.00 0.00 O ATOM 0 H GLY A 78 -7.375 4.718 -6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.224 4.115 -4.522 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.259 2.863 -5.178 1.00 0.00 H new ATOM 656 N ASN A 79 -3.656 3.197 -6.268 1.00 0.00 N ATOM 657 CA ASN A 79 -2.620 2.965 -7.264 1.00 0.00 C ATOM 658 C ASN A 79 -2.049 1.562 -7.070 1.00 0.00 C ATOM 659 O ASN A 79 -1.751 1.160 -5.950 1.00 0.00 O ATOM 660 CB ASN A 79 -1.515 4.005 -7.072 1.00 0.00 C ATOM 661 CG ASN A 79 -1.231 4.787 -8.340 1.00 0.00 C ATOM 662 OD1 ASN A 79 -0.075 4.993 -8.710 1.00 0.00 O ATOM 663 ND2 ASN A 79 -2.287 5.229 -9.012 1.00 0.00 N ATOM 0 H ASN A 79 -3.370 2.967 -5.316 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.033 3.050 -8.269 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.803 4.695 -6.279 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.603 3.506 -6.744 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.158 5.763 -9.872 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.228 5.035 -8.669 1.00 0.00 H new ATOM 670 N LEU A 80 -1.824 0.853 -8.163 1.00 0.00 N ATOM 671 CA LEU A 80 -1.240 -0.487 -8.097 1.00 0.00 C ATOM 672 C LEU A 80 0.000 -0.563 -8.981 1.00 0.00 C ATOM 673 O LEU A 80 -0.017 -0.122 -10.130 1.00 0.00 O ATOM 674 CB LEU A 80 -2.278 -1.497 -8.603 1.00 0.00 C ATOM 675 CG LEU A 80 -3.312 -0.932 -9.585 1.00 0.00 C ATOM 676 CD1 LEU A 80 -3.642 -1.949 -10.663 1.00 0.00 C ATOM 677 CD2 LEU A 80 -4.572 -0.510 -8.845 1.00 0.00 C ATOM 0 H LEU A 80 -2.034 1.177 -9.107 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.957 -0.711 -7.068 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.754 -2.322 -9.086 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.805 -1.914 -7.745 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.883 -0.053 -10.066 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.377 -1.527 -11.348 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.736 -2.202 -11.214 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.050 -2.849 -10.202 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.295 -0.111 -9.556 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.001 -1.373 -8.336 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.324 0.257 -8.112 1.00 0.00 H new ATOM 689 N GLU A 81 1.050 -1.192 -8.469 1.00 0.00 N ATOM 690 CA GLU A 81 2.278 -1.373 -9.229 1.00 0.00 C ATOM 691 C GLU A 81 2.662 -2.837 -9.150 1.00 0.00 C ATOM 692 O GLU A 81 2.607 -3.417 -8.067 1.00 0.00 O ATOM 693 CB GLU A 81 3.372 -0.509 -8.600 1.00 0.00 C ATOM 694 CG GLU A 81 3.923 0.553 -9.538 1.00 0.00 C ATOM 695 CD GLU A 81 5.122 0.067 -10.328 1.00 0.00 C ATOM 696 OE1 GLU A 81 5.002 -0.971 -11.012 1.00 0.00 O ATOM 697 OE2 GLU A 81 6.182 0.725 -10.263 1.00 0.00 O ATOM 0 H GLU A 81 1.075 -1.586 -7.528 1.00 0.00 H new ATOM 0 HA GLU A 81 2.146 -1.081 -10.271 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.973 -0.024 -7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.189 -1.153 -8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.139 0.864 -10.229 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.206 1.432 -8.959 1.00 0.00 H new ATOM 704 N GLY A 82 3.124 -3.426 -10.234 1.00 0.00 N ATOM 705 CA GLY A 82 3.540 -4.821 -10.181 1.00 0.00 C ATOM 706 C GLY A 82 4.624 -5.139 -9.138 1.00 0.00 C ATOM 707 O GLY A 82 5.752 -5.466 -9.509 1.00 0.00 O ATOM 0 H GLY A 82 3.221 -2.977 -11.145 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.665 -5.437 -9.973 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.908 -5.112 -11.165 1.00 0.00 H new ATOM 711 N GLY A 83 4.286 -5.092 -7.834 1.00 0.00 N ATOM 712 CA GLY A 83 5.271 -5.435 -6.795 1.00 0.00 C ATOM 713 C GLY A 83 5.092 -4.713 -5.466 1.00 0.00 C ATOM 714 O GLY A 83 5.613 -5.124 -4.439 1.00 0.00 O ATOM 0 H GLY A 83 3.365 -4.828 -7.484 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.226 -6.509 -6.615 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.268 -5.217 -7.177 1.00 0.00 H new ATOM 718 N ARG A 84 4.386 -3.632 -5.528 1.00 0.00 N ATOM 719 CA ARG A 84 4.099 -2.757 -4.422 1.00 0.00 C ATOM 720 C ARG A 84 2.628 -2.368 -4.526 1.00 0.00 C ATOM 721 O ARG A 84 2.118 -2.066 -5.606 1.00 0.00 O ATOM 722 CB ARG A 84 4.958 -1.499 -4.567 1.00 0.00 C ATOM 723 CG ARG A 84 4.913 -0.885 -5.955 1.00 0.00 C ATOM 724 CD ARG A 84 5.864 0.295 -6.079 1.00 0.00 C ATOM 725 NE ARG A 84 5.150 1.554 -6.281 1.00 0.00 N ATOM 726 CZ ARG A 84 5.693 2.637 -6.835 1.00 0.00 C ATOM 727 NH1 ARG A 84 6.957 2.623 -7.240 1.00 0.00 N ATOM 728 NH2 ARG A 84 4.969 3.738 -6.984 1.00 0.00 N ATOM 0 H ARG A 84 3.966 -3.311 -6.400 1.00 0.00 H new ATOM 0 HA ARG A 84 4.308 -3.238 -3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 84 4.626 -0.757 -3.841 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.991 -1.745 -4.322 1.00 0.00 H new ATOM 0 HG2 ARG A 84 5.173 -1.641 -6.696 1.00 0.00 H new ATOM 0 HG3 ARG A 84 3.897 -0.558 -6.176 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.475 0.365 -5.179 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.545 0.126 -6.913 1.00 0.00 H new ATOM 0 HE ARG A 84 4.177 1.607 -5.980 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.519 1.779 -7.128 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.366 3.456 -7.663 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.997 3.755 -6.675 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.384 4.568 -7.408 1.00 0.00 H new ATOM 742 N LEU A 85 2.004 -2.248 -3.382 1.00 0.00 N ATOM 743 CA LEU A 85 0.607 -1.803 -3.310 1.00 0.00 C ATOM 744 C LEU A 85 0.613 -0.365 -2.792 1.00 0.00 C ATOM 745 O LEU A 85 1.320 -0.047 -1.836 1.00 0.00 O ATOM 746 CB LEU A 85 -0.139 -2.719 -2.321 1.00 0.00 C ATOM 747 CG LEU A 85 -0.397 -2.130 -0.926 1.00 0.00 C ATOM 748 CD1 LEU A 85 -1.599 -1.200 -0.955 1.00 0.00 C ATOM 749 CD2 LEU A 85 -0.600 -3.237 0.101 1.00 0.00 C ATOM 0 H LEU A 85 2.430 -2.449 -2.477 1.00 0.00 H new ATOM 0 HA LEU A 85 0.115 -1.848 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.098 -2.993 -2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.433 -3.639 -2.206 1.00 0.00 H new ATOM 0 HG LEU A 85 0.480 -1.552 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.767 -0.792 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.412 -0.385 -1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.481 -1.755 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.781 -2.795 1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.457 -3.847 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.292 -3.862 0.144 1.00 0.00 H new ATOM 761 N ILE A 86 -0.194 0.493 -3.396 1.00 0.00 N ATOM 762 CA ILE A 86 -0.263 1.884 -2.981 1.00 0.00 C ATOM 763 C ILE A 86 -1.691 2.283 -2.651 1.00 0.00 C ATOM 764 O ILE A 86 -2.619 2.007 -3.420 1.00 0.00 O ATOM 765 CB ILE A 86 0.253 2.778 -4.132 1.00 0.00 C ATOM 766 CG1 ILE A 86 1.677 2.374 -4.518 1.00 0.00 C ATOM 767 CG2 ILE A 86 0.201 4.251 -3.752 1.00 0.00 C ATOM 768 CD1 ILE A 86 1.740 1.456 -5.719 1.00 0.00 C ATOM 0 H ILE A 86 -0.809 0.251 -4.173 1.00 0.00 H new ATOM 0 HA ILE A 86 0.350 2.012 -2.089 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.400 2.633 -4.992 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.257 3.273 -4.727 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.149 1.881 -3.668 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.570 4.854 -4.582 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.828 4.533 -3.528 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.823 4.422 -2.874 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.780 1.211 -5.935 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.188 0.540 -5.507 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.298 1.954 -6.582 1.00 0.00 H new ATOM 780 N LEU A 87 -1.854 3.033 -1.571 1.00 0.00 N ATOM 781 CA LEU A 87 -3.157 3.542 -1.195 1.00 0.00 C ATOM 782 C LEU A 87 -3.100 5.058 -1.166 1.00 0.00 C ATOM 783 O LEU A 87 -2.175 5.647 -0.602 1.00 0.00 O ATOM 784 CB LEU A 87 -3.522 3.007 0.193 1.00 0.00 C ATOM 785 CG LEU A 87 -4.796 3.594 0.814 1.00 0.00 C ATOM 786 CD1 LEU A 87 -4.522 4.968 1.406 1.00 0.00 C ATOM 787 CD2 LEU A 87 -5.915 3.668 -0.217 1.00 0.00 C ATOM 0 H LEU A 87 -1.097 3.301 -0.942 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.911 3.220 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.636 1.925 0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.688 3.199 0.868 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.117 2.932 1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.439 5.366 1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.759 4.885 2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.172 5.639 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.809 4.087 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.604 4.303 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.134 2.667 -0.588 1.00 0.00 H new ATOM 799 N GLN A 88 -4.121 5.689 -1.712 1.00 0.00 N ATOM 800 CA GLN A 88 -4.201 7.141 -1.715 1.00 0.00 C ATOM 801 C GLN A 88 -5.362 7.620 -0.860 1.00 0.00 C ATOM 802 O GLN A 88 -6.530 7.517 -1.255 1.00 0.00 O ATOM 803 CB GLN A 88 -4.337 7.681 -3.141 1.00 0.00 C ATOM 804 CG GLN A 88 -3.551 8.959 -3.386 1.00 0.00 C ATOM 805 CD GLN A 88 -4.150 9.807 -4.491 1.00 0.00 C ATOM 806 OE1 GLN A 88 -5.341 10.117 -4.475 1.00 0.00 O ATOM 807 NE2 GLN A 88 -3.324 10.187 -5.460 1.00 0.00 N ATOM 0 H GLN A 88 -4.909 5.221 -2.160 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.274 7.525 -1.289 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.001 6.918 -3.843 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.390 7.866 -3.351 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.514 9.541 -2.465 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.523 8.705 -3.644 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.344 9.907 -5.433 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.670 10.759 -6.230 1.00 0.00 H new