USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 643 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 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 1:sc= 0.294 USER MOD Single : A 23 HIS : no HD1:sc= -0.433 X(o=-0.43,f=0.041) USER MOD Single : A 25 LYS NZ :NH3+ 139:sc= 0.0478 (180deg=-0.00109) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 30:sc= 0.742 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -48:sc= 0.704 USER MOD Single : A 54 THR OG1 : rot -130:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.509) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 67 THR OG1 : rot -24:sc= 0.334 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0304 USER MOD Single : A 72 TYR OH : rot 166:sc= 0.509 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -164:sc= -1.61 (180deg=-1.64) USER MOD Single : A 80 TYR OH : rot -14:sc= -0.458 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -176:sc= 0 (180deg=-0.0146) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 1:sc= 0.0485 USER MOD Single : A 93 HIS :FLIP no HD1:sc= -1.96 F(o=-2.9!,f=-2) USER MOD Single : A 99 LYS NZ :NH3+ -110:sc= 0.489 (180deg=-0.119) USER MOD ----------------------------------------------------------------- ATOM 80 N PHE A 9 12.174 16.570 5.599 1.00 0.00 N ATOM 81 CA PHE A 9 11.468 15.298 5.502 1.00 0.00 C ATOM 82 C PHE A 9 10.083 15.395 6.134 1.00 0.00 C ATOM 83 O PHE A 9 9.889 16.097 7.126 1.00 0.00 O ATOM 84 CB PHE A 9 12.275 14.190 6.182 1.00 0.00 C ATOM 85 CG PHE A 9 11.426 13.069 6.712 1.00 0.00 C ATOM 86 CD1 PHE A 9 11.071 12.006 5.897 1.00 0.00 C ATOM 87 CD2 PHE A 9 10.983 13.080 8.024 1.00 0.00 C ATOM 88 CE1 PHE A 9 10.291 10.974 6.381 1.00 0.00 C ATOM 89 CE2 PHE A 9 10.203 12.049 8.514 1.00 0.00 C ATOM 90 CZ PHE A 9 9.855 10.996 7.692 1.00 0.00 C ATOM 0 HA PHE A 9 11.350 15.056 4.446 1.00 0.00 H new ATOM 0 HB2 PHE A 9 12.994 13.785 5.469 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.848 14.621 7.003 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.408 11.984 4.871 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.250 13.903 8.671 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.022 10.151 5.736 1.00 0.00 H new ATOM 0 HE2 PHE A 9 9.866 12.067 9.540 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.243 10.191 8.073 1.00 0.00 H new ATOM 100 N ASP A 10 9.122 14.685 5.551 1.00 0.00 N ATOM 101 CA ASP A 10 7.754 14.690 6.056 1.00 0.00 C ATOM 102 C ASP A 10 6.910 13.635 5.348 1.00 0.00 C ATOM 103 O ASP A 10 6.648 13.717 4.148 1.00 0.00 O ATOM 104 CB ASP A 10 7.125 16.072 5.873 1.00 0.00 C ATOM 105 CG ASP A 10 7.458 17.015 7.012 1.00 0.00 C ATOM 106 OD1 ASP A 10 7.606 16.536 8.156 1.00 0.00 O ATOM 107 OD2 ASP A 10 7.572 18.233 6.759 1.00 0.00 O ATOM 0 H ASP A 10 9.266 14.099 4.729 1.00 0.00 H new ATOM 0 HA ASP A 10 7.784 14.452 7.119 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.471 16.504 4.934 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.043 15.968 5.796 1.00 0.00 H new ATOM 112 N PRO A 11 6.474 12.618 6.107 1.00 0.00 N ATOM 113 CA PRO A 11 5.654 11.527 5.573 1.00 0.00 C ATOM 114 C PRO A 11 4.247 11.986 5.207 1.00 0.00 C ATOM 115 O PRO A 11 3.619 11.434 4.303 1.00 0.00 O ATOM 116 CB PRO A 11 5.605 10.523 6.727 1.00 0.00 C ATOM 117 CG PRO A 11 5.825 11.342 7.952 1.00 0.00 C ATOM 118 CD PRO A 11 6.749 12.456 7.544 1.00 0.00 C ATOM 0 HA PRO A 11 6.069 11.118 4.652 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.645 10.008 6.763 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.374 9.758 6.619 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.883 11.736 8.333 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.265 10.742 8.749 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.544 13.372 8.098 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.793 12.200 7.727 1.00 0.00 H new ATOM 126 N SER A 12 3.757 13.000 5.913 1.00 0.00 N ATOM 127 CA SER A 12 2.422 13.530 5.664 1.00 0.00 C ATOM 128 C SER A 12 2.324 14.120 4.260 1.00 0.00 C ATOM 129 O SER A 12 1.279 14.047 3.614 1.00 0.00 O ATOM 130 CB SER A 12 2.072 14.598 6.703 1.00 0.00 C ATOM 131 OG SER A 12 1.700 14.007 7.936 1.00 0.00 O ATOM 0 H SER A 12 4.265 13.471 6.662 1.00 0.00 H new ATOM 0 HA SER A 12 1.711 12.708 5.744 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.927 15.256 6.855 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.255 15.217 6.332 1.00 0.00 H new ATOM 0 HG SER A 12 1.483 14.710 8.583 1.00 0.00 H new ATOM 137 N LYS A 13 3.423 14.703 3.793 1.00 0.00 N ATOM 138 CA LYS A 13 3.465 15.305 2.466 1.00 0.00 C ATOM 139 C LYS A 13 3.327 14.241 1.381 1.00 0.00 C ATOM 140 O LYS A 13 2.980 14.545 0.240 1.00 0.00 O ATOM 141 CB LYS A 13 4.773 16.077 2.274 1.00 0.00 C ATOM 142 CG LYS A 13 4.965 17.205 3.272 1.00 0.00 C ATOM 143 CD LYS A 13 3.938 18.307 3.072 1.00 0.00 C ATOM 144 CE LYS A 13 4.217 19.107 1.808 1.00 0.00 C ATOM 145 NZ LYS A 13 3.107 20.047 1.490 1.00 0.00 N ATOM 0 H LYS A 13 4.297 14.771 4.315 1.00 0.00 H new ATOM 0 HA LYS A 13 2.626 15.996 2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.610 15.384 2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.798 16.488 1.265 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.886 16.812 4.286 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.968 17.618 3.167 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.941 17.870 3.015 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.945 18.973 3.935 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.144 19.668 1.930 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.365 18.424 0.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.335 20.573 0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.228 19.510 1.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.982 20.715 2.277 1.00 0.00 H new ATOM 159 N VAL A 14 3.599 12.992 1.746 1.00 0.00 N ATOM 160 CA VAL A 14 3.502 11.882 0.805 1.00 0.00 C ATOM 161 C VAL A 14 2.055 11.636 0.393 1.00 0.00 C ATOM 162 O VAL A 14 1.142 11.708 1.216 1.00 0.00 O ATOM 163 CB VAL A 14 4.081 10.587 1.404 1.00 0.00 C ATOM 164 CG1 VAL A 14 4.007 9.452 0.394 1.00 0.00 C ATOM 165 CG2 VAL A 14 5.514 10.808 1.865 1.00 0.00 C ATOM 0 H VAL A 14 3.888 12.723 2.687 1.00 0.00 H new ATOM 0 HA VAL A 14 4.085 12.159 -0.073 1.00 0.00 H new ATOM 0 HB VAL A 14 3.483 10.309 2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.421 8.545 0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.967 9.279 0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.580 9.718 -0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.908 9.883 2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.127 11.110 1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.535 11.590 2.624 1.00 0.00 H new ATOM 175 N VAL A 15 1.852 11.344 -0.888 1.00 0.00 N ATOM 176 CA VAL A 15 0.515 11.085 -1.410 1.00 0.00 C ATOM 177 C VAL A 15 0.432 9.701 -2.044 1.00 0.00 C ATOM 178 O VAL A 15 1.244 9.348 -2.899 1.00 0.00 O ATOM 179 CB VAL A 15 0.106 12.141 -2.454 1.00 0.00 C ATOM 180 CG1 VAL A 15 -1.281 11.841 -3.002 1.00 0.00 C ATOM 181 CG2 VAL A 15 0.160 13.536 -1.849 1.00 0.00 C ATOM 0 H VAL A 15 2.596 11.281 -1.583 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.171 11.136 -0.564 1.00 0.00 H new ATOM 0 HB VAL A 15 0.813 12.102 -3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.553 12.598 -3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.281 10.859 -3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.004 11.852 -2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.132 14.270 -2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.524 13.592 -1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.175 13.747 -1.511 1.00 0.00 H new ATOM 191 N ALA A 16 -0.556 8.920 -1.619 1.00 0.00 N ATOM 192 CA ALA A 16 -0.748 7.575 -2.147 1.00 0.00 C ATOM 193 C ALA A 16 -2.173 7.382 -2.655 1.00 0.00 C ATOM 194 O ALA A 16 -3.137 7.738 -1.977 1.00 0.00 O ATOM 195 CB ALA A 16 -0.420 6.539 -1.082 1.00 0.00 C ATOM 0 H ALA A 16 -1.236 9.196 -0.910 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.070 7.442 -2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.568 5.539 -1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.618 6.654 -0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.075 6.681 -0.222 1.00 0.00 H new ATOM 201 N SER A 17 -2.298 6.818 -3.852 1.00 0.00 N ATOM 202 CA SER A 17 -3.606 6.583 -4.452 1.00 0.00 C ATOM 203 C SER A 17 -3.549 5.421 -5.439 1.00 0.00 C ATOM 204 O SER A 17 -2.499 4.812 -5.639 1.00 0.00 O ATOM 205 CB SER A 17 -4.100 7.845 -5.161 1.00 0.00 C ATOM 206 OG SER A 17 -4.321 8.896 -4.236 1.00 0.00 O ATOM 0 H SER A 17 -1.510 6.516 -4.425 1.00 0.00 H new ATOM 0 HA SER A 17 -4.304 6.327 -3.655 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.367 8.159 -5.904 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.024 7.627 -5.696 1.00 0.00 H new ATOM 0 HG SER A 17 -4.088 8.592 -3.334 1.00 0.00 H new ATOM 212 N GLY A 18 -4.689 5.118 -6.055 1.00 0.00 N ATOM 213 CA GLY A 18 -4.748 4.031 -7.014 1.00 0.00 C ATOM 214 C GLY A 18 -5.914 3.097 -6.759 1.00 0.00 C ATOM 215 O GLY A 18 -6.580 3.168 -5.726 1.00 0.00 O ATOM 0 H GLY A 18 -5.572 5.606 -5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.829 4.442 -8.020 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.817 3.465 -6.975 1.00 0.00 H new ATOM 219 N PRO A 19 -6.177 2.197 -7.718 1.00 0.00 N ATOM 220 CA PRO A 19 -7.273 1.228 -7.616 1.00 0.00 C ATOM 221 C PRO A 19 -7.010 0.165 -6.555 1.00 0.00 C ATOM 222 O PRO A 19 -7.941 -0.370 -5.955 1.00 0.00 O ATOM 223 CB PRO A 19 -7.316 0.594 -9.009 1.00 0.00 C ATOM 224 CG PRO A 19 -5.936 0.760 -9.544 1.00 0.00 C ATOM 225 CD PRO A 19 -5.425 2.055 -8.976 1.00 0.00 C ATOM 0 HA PRO A 19 -8.209 1.701 -7.318 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.596 -0.458 -8.957 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.050 1.088 -9.646 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.300 -0.074 -9.248 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.940 0.787 -10.634 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.350 2.020 -8.800 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.610 2.891 -9.651 1.00 0.00 H new ATOM 233 N GLY A 20 -5.735 -0.135 -6.328 1.00 0.00 N ATOM 234 CA GLY A 20 -5.373 -1.133 -5.338 1.00 0.00 C ATOM 235 C GLY A 20 -5.863 -0.776 -3.949 1.00 0.00 C ATOM 236 O GLY A 20 -6.243 -1.653 -3.171 1.00 0.00 O ATOM 0 H GLY A 20 -4.946 0.295 -6.812 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.789 -2.097 -5.630 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.289 -1.246 -5.320 1.00 0.00 H new ATOM 240 N LEU A 21 -5.854 0.515 -3.633 1.00 0.00 N ATOM 241 CA LEU A 21 -6.299 0.987 -2.327 1.00 0.00 C ATOM 242 C LEU A 21 -7.822 0.987 -2.238 1.00 0.00 C ATOM 243 O LEU A 21 -8.390 1.158 -1.160 1.00 0.00 O ATOM 244 CB LEU A 21 -5.761 2.393 -2.060 1.00 0.00 C ATOM 245 CG LEU A 21 -4.382 2.471 -1.403 1.00 0.00 C ATOM 246 CD1 LEU A 21 -3.680 3.764 -1.789 1.00 0.00 C ATOM 247 CD2 LEU A 21 -4.505 2.359 0.109 1.00 0.00 C ATOM 0 H LEU A 21 -5.543 1.253 -4.264 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.909 0.306 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.721 2.931 -3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.474 2.919 -1.425 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.782 1.635 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.700 3.802 -1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.559 3.803 -2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.277 4.614 -1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.514 2.416 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.123 3.174 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.966 1.406 0.367 1.00 0.00 H new ATOM 259 N GLU A 22 -8.476 0.793 -3.379 1.00 0.00 N ATOM 260 CA GLU A 22 -9.933 0.770 -3.429 1.00 0.00 C ATOM 261 C GLU A 22 -10.455 -0.664 -3.415 1.00 0.00 C ATOM 262 O GLU A 22 -11.527 -0.941 -2.876 1.00 0.00 O ATOM 263 CB GLU A 22 -10.434 1.494 -4.680 1.00 0.00 C ATOM 264 CG GLU A 22 -9.862 2.892 -4.844 1.00 0.00 C ATOM 265 CD GLU A 22 -10.779 3.810 -5.630 1.00 0.00 C ATOM 266 OE1 GLU A 22 -10.839 3.670 -6.869 1.00 0.00 O ATOM 267 OE2 GLU A 22 -11.436 4.668 -5.004 1.00 0.00 O ATOM 0 H GLU A 22 -8.020 0.650 -4.280 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.310 1.284 -2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.180 0.901 -5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.521 1.558 -4.642 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.679 3.323 -3.860 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.898 2.829 -5.349 1.00 0.00 H new ATOM 274 N HIS A 23 -9.690 -1.572 -4.013 1.00 0.00 N ATOM 275 CA HIS A 23 -10.075 -2.978 -4.070 1.00 0.00 C ATOM 276 C HIS A 23 -8.944 -3.828 -4.642 1.00 0.00 C ATOM 277 O HIS A 23 -7.961 -3.302 -5.162 1.00 0.00 O ATOM 278 CB HIS A 23 -11.336 -3.150 -4.917 1.00 0.00 C ATOM 279 CG HIS A 23 -11.116 -2.899 -6.377 1.00 0.00 C ATOM 280 ND1 HIS A 23 -11.592 -3.736 -7.365 1.00 0.00 N ATOM 281 CD2 HIS A 23 -10.467 -1.897 -7.016 1.00 0.00 C ATOM 282 CE1 HIS A 23 -11.244 -3.260 -8.547 1.00 0.00 C ATOM 283 NE2 HIS A 23 -10.561 -2.145 -8.363 1.00 0.00 N ATOM 0 H HIS A 23 -8.800 -1.360 -4.465 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.281 -3.314 -3.054 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.717 -4.162 -4.784 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.105 -2.469 -4.552 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.968 -1.059 -6.552 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -11.478 -3.707 -9.502 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.167 -1.562 -9.102 1.00 0.00 H new ATOM 292 N GLY A 24 -9.092 -5.146 -4.542 1.00 0.00 N ATOM 293 CA GLY A 24 -8.075 -6.047 -5.053 1.00 0.00 C ATOM 294 C GLY A 24 -8.649 -7.379 -5.492 1.00 0.00 C ATOM 295 O GLY A 24 -9.760 -7.743 -5.105 1.00 0.00 O ATOM 0 H GLY A 24 -9.897 -5.605 -4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.568 -5.577 -5.896 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.323 -6.215 -4.283 1.00 0.00 H new ATOM 299 N LYS A 25 -7.892 -8.109 -6.304 1.00 0.00 N ATOM 300 CA LYS A 25 -8.331 -9.409 -6.797 1.00 0.00 C ATOM 301 C LYS A 25 -7.201 -10.430 -6.718 1.00 0.00 C ATOM 302 O LYS A 25 -6.046 -10.118 -7.011 1.00 0.00 O ATOM 303 CB LYS A 25 -8.824 -9.289 -8.241 1.00 0.00 C ATOM 304 CG LYS A 25 -9.853 -10.340 -8.621 1.00 0.00 C ATOM 305 CD LYS A 25 -10.044 -10.413 -10.127 1.00 0.00 C ATOM 306 CE LYS A 25 -10.559 -11.779 -10.557 1.00 0.00 C ATOM 307 NZ LYS A 25 -12.034 -11.894 -10.387 1.00 0.00 N ATOM 0 H LYS A 25 -6.971 -7.822 -6.635 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.151 -9.751 -6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.257 -8.299 -8.387 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.971 -9.367 -8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.536 -11.313 -8.246 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.805 -10.108 -8.143 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.746 -9.642 -10.444 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.097 -10.206 -10.626 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.299 -11.953 -11.601 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.064 -12.554 -9.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.440 -12.393 -11.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.243 -12.426 -9.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.451 -10.944 -10.320 1.00 0.00 H new ATOM 321 N VAL A 26 -7.541 -11.653 -6.322 1.00 0.00 N ATOM 322 CA VAL A 26 -6.555 -12.721 -6.207 1.00 0.00 C ATOM 323 C VAL A 26 -5.800 -12.915 -7.517 1.00 0.00 C ATOM 324 O VAL A 26 -6.393 -13.233 -8.547 1.00 0.00 O ATOM 325 CB VAL A 26 -7.216 -14.054 -5.807 1.00 0.00 C ATOM 326 CG1 VAL A 26 -6.213 -15.194 -5.891 1.00 0.00 C ATOM 327 CG2 VAL A 26 -7.808 -13.955 -4.409 1.00 0.00 C ATOM 0 H VAL A 26 -8.492 -11.928 -6.076 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.854 -12.422 -5.427 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.026 -14.263 -6.506 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.698 -16.127 -5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.841 -15.277 -6.912 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.380 -14.996 -5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.271 -14.905 -4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.018 -13.723 -3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.560 -13.166 -4.387 1.00 0.00 H new ATOM 337 N GLY A 27 -4.485 -12.721 -7.470 1.00 0.00 N ATOM 338 CA GLY A 27 -3.669 -12.879 -8.659 1.00 0.00 C ATOM 339 C GLY A 27 -3.428 -11.565 -9.376 1.00 0.00 C ATOM 340 O GLY A 27 -2.405 -11.390 -10.037 1.00 0.00 O ATOM 0 H GLY A 27 -3.971 -12.457 -6.629 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.711 -13.319 -8.383 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.156 -13.577 -9.340 1.00 0.00 H new ATOM 344 N GLU A 28 -4.374 -10.640 -9.246 1.00 0.00 N ATOM 345 CA GLU A 28 -4.259 -9.336 -9.890 1.00 0.00 C ATOM 346 C GLU A 28 -3.116 -8.528 -9.282 1.00 0.00 C ATOM 347 O GLU A 28 -2.439 -8.985 -8.362 1.00 0.00 O ATOM 348 CB GLU A 28 -5.572 -8.561 -9.759 1.00 0.00 C ATOM 349 CG GLU A 28 -6.574 -8.871 -10.859 1.00 0.00 C ATOM 350 CD GLU A 28 -6.116 -8.382 -12.220 1.00 0.00 C ATOM 351 OE1 GLU A 28 -5.285 -9.070 -12.849 1.00 0.00 O ATOM 352 OE2 GLU A 28 -6.589 -7.311 -12.655 1.00 0.00 O ATOM 0 H GLU A 28 -5.227 -10.769 -8.702 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.045 -9.498 -10.946 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.023 -8.788 -8.793 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.356 -7.493 -9.766 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.740 -9.947 -10.901 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.531 -8.410 -10.614 1.00 0.00 H new ATOM 359 N ALA A 29 -2.908 -7.323 -9.804 1.00 0.00 N ATOM 360 CA ALA A 29 -1.849 -6.451 -9.313 1.00 0.00 C ATOM 361 C ALA A 29 -2.415 -5.120 -8.829 1.00 0.00 C ATOM 362 O ALA A 29 -2.945 -4.336 -9.616 1.00 0.00 O ATOM 363 CB ALA A 29 -0.809 -6.220 -10.400 1.00 0.00 C ATOM 0 H ALA A 29 -3.459 -6.929 -10.567 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.370 -6.943 -8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.024 -5.567 -10.019 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.375 -7.175 -10.697 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.283 -5.753 -11.263 1.00 0.00 H new ATOM 369 N GLY A 30 -2.299 -4.871 -7.528 1.00 0.00 N ATOM 370 CA GLY A 30 -2.805 -3.634 -6.962 1.00 0.00 C ATOM 371 C GLY A 30 -1.987 -2.428 -7.381 1.00 0.00 C ATOM 372 O GLY A 30 -0.945 -2.140 -6.790 1.00 0.00 O ATOM 0 H GLY A 30 -1.864 -5.503 -6.856 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.840 -3.493 -7.272 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.806 -3.709 -5.875 1.00 0.00 H new ATOM 376 N LEU A 31 -2.458 -1.722 -8.402 1.00 0.00 N ATOM 377 CA LEU A 31 -1.763 -0.540 -8.901 1.00 0.00 C ATOM 378 C LEU A 31 -1.755 0.569 -7.855 1.00 0.00 C ATOM 379 O LEU A 31 -2.809 1.040 -7.425 1.00 0.00 O ATOM 380 CB LEU A 31 -2.424 -0.040 -10.187 1.00 0.00 C ATOM 381 CG LEU A 31 -2.541 -1.057 -11.322 1.00 0.00 C ATOM 382 CD1 LEU A 31 -3.499 -0.557 -12.391 1.00 0.00 C ATOM 383 CD2 LEU A 31 -1.172 -1.345 -11.923 1.00 0.00 C ATOM 0 H LEU A 31 -3.319 -1.947 -8.901 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.731 -0.819 -9.115 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.424 0.317 -9.942 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.859 0.818 -10.552 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.939 -1.985 -10.912 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.569 -1.295 -13.191 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.485 -0.402 -11.953 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.131 0.385 -12.798 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.274 -2.071 -12.730 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.746 -0.422 -12.317 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.514 -1.748 -11.153 1.00 0.00 H new ATOM 395 N LEU A 32 -0.560 0.984 -7.449 1.00 0.00 N ATOM 396 CA LEU A 32 -0.413 2.041 -6.454 1.00 0.00 C ATOM 397 C LEU A 32 0.585 3.095 -6.922 1.00 0.00 C ATOM 398 O LEU A 32 1.665 2.768 -7.412 1.00 0.00 O ATOM 399 CB LEU A 32 0.040 1.451 -5.118 1.00 0.00 C ATOM 400 CG LEU A 32 -0.864 0.373 -4.519 1.00 0.00 C ATOM 401 CD1 LEU A 32 -0.300 -0.124 -3.197 1.00 0.00 C ATOM 402 CD2 LEU A 32 -2.278 0.905 -4.332 1.00 0.00 C ATOM 0 H LEU A 32 0.322 0.604 -7.794 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.383 2.520 -6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.037 1.029 -5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.130 2.263 -4.397 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.902 -0.467 -5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.957 -0.891 -2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.692 -0.546 -3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.230 0.708 -2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.907 0.124 -3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.258 1.763 -3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.683 1.209 -5.297 1.00 0.00 H new ATOM 414 N SER A 33 0.216 4.363 -6.766 1.00 0.00 N ATOM 415 CA SER A 33 1.078 5.466 -7.174 1.00 0.00 C ATOM 416 C SER A 33 1.418 6.358 -5.984 1.00 0.00 C ATOM 417 O SER A 33 0.536 6.766 -5.227 1.00 0.00 O ATOM 418 CB SER A 33 0.401 6.292 -8.269 1.00 0.00 C ATOM 419 OG SER A 33 1.345 7.088 -8.964 1.00 0.00 O ATOM 0 H SER A 33 -0.674 4.651 -6.360 1.00 0.00 H new ATOM 0 HA SER A 33 2.004 5.046 -7.567 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.105 5.628 -8.969 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.363 6.931 -7.827 1.00 0.00 H new ATOM 0 HG SER A 33 0.888 7.605 -9.660 1.00 0.00 H new ATOM 425 N VAL A 34 2.703 6.659 -5.825 1.00 0.00 N ATOM 426 CA VAL A 34 3.161 7.503 -4.729 1.00 0.00 C ATOM 427 C VAL A 34 3.777 8.796 -5.252 1.00 0.00 C ATOM 428 O VAL A 34 4.800 8.776 -5.936 1.00 0.00 O ATOM 429 CB VAL A 34 4.195 6.773 -3.852 1.00 0.00 C ATOM 430 CG1 VAL A 34 4.693 7.685 -2.741 1.00 0.00 C ATOM 431 CG2 VAL A 34 3.599 5.497 -3.277 1.00 0.00 C ATOM 0 H VAL A 34 3.445 6.330 -6.442 1.00 0.00 H new ATOM 0 HA VAL A 34 2.285 7.739 -4.124 1.00 0.00 H new ATOM 0 HB VAL A 34 5.047 6.501 -4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.423 7.151 -2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.160 8.568 -3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.853 7.990 -2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.343 4.994 -2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.729 5.744 -2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.297 4.838 -4.091 1.00 0.00 H new ATOM 441 N ASP A 35 3.148 9.919 -4.925 1.00 0.00 N ATOM 442 CA ASP A 35 3.635 11.223 -5.360 1.00 0.00 C ATOM 443 C ASP A 35 4.316 11.960 -4.211 1.00 0.00 C ATOM 444 O ASP A 35 3.656 12.432 -3.285 1.00 0.00 O ATOM 445 CB ASP A 35 2.482 12.065 -5.909 1.00 0.00 C ATOM 446 CG ASP A 35 2.916 13.468 -6.284 1.00 0.00 C ATOM 447 OD1 ASP A 35 3.501 14.158 -5.423 1.00 0.00 O ATOM 448 OD2 ASP A 35 2.672 13.876 -7.439 1.00 0.00 O ATOM 0 H ASP A 35 2.299 9.953 -4.360 1.00 0.00 H new ATOM 0 HA ASP A 35 4.368 11.064 -6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.061 11.572 -6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.689 12.120 -5.163 1.00 0.00 H new ATOM 453 N CYS A 36 5.639 12.053 -4.277 1.00 0.00 N ATOM 454 CA CYS A 36 6.411 12.731 -3.241 1.00 0.00 C ATOM 455 C CYS A 36 6.844 14.118 -3.705 1.00 0.00 C ATOM 456 O CYS A 36 7.555 14.256 -4.701 1.00 0.00 O ATOM 457 CB CYS A 36 7.638 11.900 -2.864 1.00 0.00 C ATOM 458 SG CYS A 36 8.917 11.850 -4.142 1.00 0.00 S ATOM 0 H CYS A 36 6.200 11.668 -5.037 1.00 0.00 H new ATOM 0 HA CYS A 36 5.774 12.844 -2.364 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.070 12.304 -1.948 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.320 10.881 -2.644 1.00 0.00 H new ATOM 0 HG CYS A 36 8.884 12.951 -4.833 1.00 0.00 H new ATOM 464 N SER A 37 6.409 15.142 -2.978 1.00 0.00 N ATOM 465 CA SER A 37 6.747 16.519 -3.319 1.00 0.00 C ATOM 466 C SER A 37 7.761 17.089 -2.332 1.00 0.00 C ATOM 467 O SER A 37 8.901 17.376 -2.694 1.00 0.00 O ATOM 468 CB SER A 37 5.487 17.387 -3.332 1.00 0.00 C ATOM 469 OG SER A 37 4.886 17.395 -4.615 1.00 0.00 O ATOM 0 H SER A 37 5.822 15.044 -2.150 1.00 0.00 H new ATOM 0 HA SER A 37 7.192 16.523 -4.314 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.776 17.012 -2.596 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.741 18.406 -3.039 1.00 0.00 H new ATOM 0 HG SER A 37 4.082 17.955 -4.596 1.00 0.00 H new ATOM 475 N GLU A 38 7.336 17.251 -1.083 1.00 0.00 N ATOM 476 CA GLU A 38 8.206 17.787 -0.043 1.00 0.00 C ATOM 477 C GLU A 38 8.487 16.737 1.027 1.00 0.00 C ATOM 478 O GLU A 38 8.887 17.065 2.144 1.00 0.00 O ATOM 479 CB GLU A 38 7.573 19.025 0.595 1.00 0.00 C ATOM 480 CG GLU A 38 7.686 20.276 -0.260 1.00 0.00 C ATOM 481 CD GLU A 38 9.062 20.908 -0.192 1.00 0.00 C ATOM 482 OE1 GLU A 38 9.574 21.092 0.933 1.00 0.00 O ATOM 483 OE2 GLU A 38 9.628 21.217 -1.261 1.00 0.00 O ATOM 0 H GLU A 38 6.394 17.019 -0.767 1.00 0.00 H new ATOM 0 HA GLU A 38 9.151 18.069 -0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.520 18.824 0.792 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.048 19.210 1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.456 20.025 -1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.941 21.002 0.065 1.00 0.00 H new ATOM 490 N ALA A 39 8.274 15.473 0.677 1.00 0.00 N ATOM 491 CA ALA A 39 8.506 14.374 1.607 1.00 0.00 C ATOM 492 C ALA A 39 9.974 14.297 2.012 1.00 0.00 C ATOM 493 O ALA A 39 10.327 13.622 2.978 1.00 0.00 O ATOM 494 CB ALA A 39 8.057 13.057 0.989 1.00 0.00 C ATOM 0 H ALA A 39 7.941 15.184 -0.243 1.00 0.00 H new ATOM 0 HA ALA A 39 7.918 14.561 2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.236 12.245 1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.993 13.108 0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.620 12.874 0.074 1.00 0.00 H new ATOM 500 N GLY A 40 10.826 14.994 1.266 1.00 0.00 N ATOM 501 CA GLY A 40 12.246 14.990 1.564 1.00 0.00 C ATOM 502 C GLY A 40 12.867 13.615 1.412 1.00 0.00 C ATOM 503 O GLY A 40 12.378 12.769 0.664 1.00 0.00 O ATOM 0 H GLY A 40 10.558 15.561 0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.755 15.690 0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.401 15.345 2.583 1.00 0.00 H new ATOM 507 N PRO A 41 13.972 13.378 2.134 1.00 0.00 N ATOM 508 CA PRO A 41 14.684 12.097 2.093 1.00 0.00 C ATOM 509 C PRO A 41 13.894 10.972 2.752 1.00 0.00 C ATOM 510 O PRO A 41 12.760 11.169 3.187 1.00 0.00 O ATOM 511 CB PRO A 41 15.968 12.380 2.878 1.00 0.00 C ATOM 512 CG PRO A 41 15.613 13.503 3.791 1.00 0.00 C ATOM 513 CD PRO A 41 14.610 14.340 3.047 1.00 0.00 C ATOM 0 HA PRO A 41 14.858 11.760 1.071 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.292 11.502 3.437 1.00 0.00 H new ATOM 0 HB3 PRO A 41 16.787 12.654 2.213 1.00 0.00 H new ATOM 0 HG2 PRO A 41 15.193 13.129 4.725 1.00 0.00 H new ATOM 0 HG3 PRO A 41 16.495 14.089 4.050 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.885 14.794 3.723 1.00 0.00 H new ATOM 0 HD3 PRO A 41 15.090 15.153 2.502 1.00 0.00 H new ATOM 521 N GLY A 42 14.500 9.791 2.822 1.00 0.00 N ATOM 522 CA GLY A 42 13.838 8.652 3.430 1.00 0.00 C ATOM 523 C GLY A 42 13.578 7.535 2.438 1.00 0.00 C ATOM 524 O GLY A 42 13.660 7.740 1.228 1.00 0.00 O ATOM 0 H GLY A 42 15.438 9.603 2.468 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.452 8.273 4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.892 8.975 3.865 1.00 0.00 H new ATOM 528 N ALA A 43 13.264 6.351 2.952 1.00 0.00 N ATOM 529 CA ALA A 43 12.991 5.198 2.103 1.00 0.00 C ATOM 530 C ALA A 43 11.548 4.731 2.259 1.00 0.00 C ATOM 531 O ALA A 43 11.038 4.617 3.375 1.00 0.00 O ATOM 532 CB ALA A 43 13.952 4.064 2.428 1.00 0.00 C ATOM 0 H ALA A 43 13.192 6.165 3.952 1.00 0.00 H new ATOM 0 HA ALA A 43 13.138 5.499 1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 43 13.737 3.209 1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.976 4.396 2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.832 3.773 3.472 1.00 0.00 H new ATOM 538 N LEU A 44 10.893 4.463 1.135 1.00 0.00 N ATOM 539 CA LEU A 44 9.507 4.008 1.146 1.00 0.00 C ATOM 540 C LEU A 44 9.433 2.486 1.207 1.00 0.00 C ATOM 541 O LEU A 44 10.315 1.791 0.704 1.00 0.00 O ATOM 542 CB LEU A 44 8.773 4.516 -0.096 1.00 0.00 C ATOM 543 CG LEU A 44 7.459 3.812 -0.435 1.00 0.00 C ATOM 544 CD1 LEU A 44 6.344 4.293 0.480 1.00 0.00 C ATOM 545 CD2 LEU A 44 7.091 4.041 -1.893 1.00 0.00 C ATOM 0 H LEU A 44 11.300 4.553 0.204 1.00 0.00 H new ATOM 0 HA LEU A 44 9.025 4.412 2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.569 5.578 0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.442 4.424 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 44 7.593 2.742 -0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.417 3.781 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.604 4.076 1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.211 5.368 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.153 3.532 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.977 5.109 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.879 3.645 -2.534 1.00 0.00 H new ATOM 557 N GLY A 45 8.373 1.974 1.826 1.00 0.00 N ATOM 558 CA GLY A 45 8.203 0.537 1.939 1.00 0.00 C ATOM 559 C GLY A 45 6.777 0.148 2.274 1.00 0.00 C ATOM 560 O GLY A 45 6.116 0.809 3.076 1.00 0.00 O ATOM 0 H GLY A 45 7.630 2.528 2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.495 0.065 1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.872 0.154 2.710 1.00 0.00 H new ATOM 564 N LEU A 46 6.299 -0.928 1.657 1.00 0.00 N ATOM 565 CA LEU A 46 4.941 -1.404 1.892 1.00 0.00 C ATOM 566 C LEU A 46 4.939 -2.885 2.258 1.00 0.00 C ATOM 567 O LEU A 46 5.752 -3.659 1.754 1.00 0.00 O ATOM 568 CB LEU A 46 4.076 -1.173 0.652 1.00 0.00 C ATOM 569 CG LEU A 46 2.618 -1.623 0.756 1.00 0.00 C ATOM 570 CD1 LEU A 46 1.780 -0.560 1.450 1.00 0.00 C ATOM 571 CD2 LEU A 46 2.055 -1.931 -0.624 1.00 0.00 C ATOM 0 H LEU A 46 6.832 -1.487 0.991 1.00 0.00 H new ATOM 0 HA LEU A 46 4.525 -0.841 2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.091 -0.109 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.536 -1.692 -0.189 1.00 0.00 H new ATOM 0 HG LEU A 46 2.581 -2.534 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.746 -0.897 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.169 -0.388 2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.824 0.368 0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.017 -2.250 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.106 -1.037 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.639 -2.727 -1.086 1.00 0.00 H new ATOM 583 N GLU A 47 4.018 -3.271 3.136 1.00 0.00 N ATOM 584 CA GLU A 47 3.910 -4.660 3.568 1.00 0.00 C ATOM 585 C GLU A 47 2.470 -5.152 3.461 1.00 0.00 C ATOM 586 O GLU A 47 1.592 -4.699 4.194 1.00 0.00 O ATOM 587 CB GLU A 47 4.407 -4.810 5.007 1.00 0.00 C ATOM 588 CG GLU A 47 4.367 -6.240 5.519 1.00 0.00 C ATOM 589 CD GLU A 47 5.641 -7.004 5.216 1.00 0.00 C ATOM 590 OE1 GLU A 47 6.734 -6.466 5.488 1.00 0.00 O ATOM 591 OE2 GLU A 47 5.545 -8.140 4.705 1.00 0.00 O ATOM 0 H GLU A 47 3.337 -2.642 3.562 1.00 0.00 H new ATOM 0 HA GLU A 47 4.533 -5.268 2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.430 -4.439 5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.800 -4.182 5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.200 -6.232 6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.521 -6.759 5.069 1.00 0.00 H new ATOM 598 N ALA A 48 2.236 -6.083 2.542 1.00 0.00 N ATOM 599 CA ALA A 48 0.903 -6.639 2.340 1.00 0.00 C ATOM 600 C ALA A 48 0.724 -7.934 3.124 1.00 0.00 C ATOM 601 O ALA A 48 1.478 -8.890 2.944 1.00 0.00 O ATOM 602 CB ALA A 48 0.650 -6.877 0.859 1.00 0.00 C ATOM 0 H ALA A 48 2.952 -6.468 1.926 1.00 0.00 H new ATOM 0 HA ALA A 48 0.175 -5.917 2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.349 -7.292 0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.727 -5.933 0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.390 -7.577 0.471 1.00 0.00 H new ATOM 608 N VAL A 49 -0.279 -7.958 3.996 1.00 0.00 N ATOM 609 CA VAL A 49 -0.558 -9.136 4.809 1.00 0.00 C ATOM 610 C VAL A 49 -2.059 -9.361 4.953 1.00 0.00 C ATOM 611 O VAL A 49 -2.782 -8.495 5.447 1.00 0.00 O ATOM 612 CB VAL A 49 0.069 -9.013 6.210 1.00 0.00 C ATOM 613 CG1 VAL A 49 -0.285 -10.222 7.062 1.00 0.00 C ATOM 614 CG2 VAL A 49 1.578 -8.848 6.105 1.00 0.00 C ATOM 0 H VAL A 49 -0.912 -7.175 4.158 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.114 -9.988 4.295 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.338 -8.126 6.695 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.167 -10.117 8.048 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.368 -10.290 7.165 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.092 -11.126 6.585 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.005 -8.763 7.104 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.005 -9.715 5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.807 -7.948 5.534 1.00 0.00 H new ATOM 624 N SER A 50 -2.521 -10.530 4.520 1.00 0.00 N ATOM 625 CA SER A 50 -3.938 -10.868 4.599 1.00 0.00 C ATOM 626 C SER A 50 -4.331 -11.231 6.027 1.00 0.00 C ATOM 627 O SER A 50 -3.482 -11.584 6.846 1.00 0.00 O ATOM 628 CB SER A 50 -4.259 -12.030 3.658 1.00 0.00 C ATOM 629 OG SER A 50 -5.658 -12.228 3.550 1.00 0.00 O ATOM 0 H SER A 50 -1.936 -11.258 4.111 1.00 0.00 H new ATOM 0 HA SER A 50 -4.513 -9.993 4.294 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.840 -11.830 2.672 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.787 -12.941 4.026 1.00 0.00 H new ATOM 0 HG SER A 50 -5.837 -12.975 2.942 1.00 0.00 H new ATOM 635 N ASP A 51 -5.624 -11.142 6.319 1.00 0.00 N ATOM 636 CA ASP A 51 -6.132 -11.462 7.647 1.00 0.00 C ATOM 637 C ASP A 51 -5.541 -12.774 8.154 1.00 0.00 C ATOM 638 O ASP A 51 -5.213 -12.904 9.333 1.00 0.00 O ATOM 639 CB ASP A 51 -7.659 -11.551 7.625 1.00 0.00 C ATOM 640 CG ASP A 51 -8.319 -10.186 7.630 1.00 0.00 C ATOM 641 OD1 ASP A 51 -7.655 -9.204 7.237 1.00 0.00 O ATOM 642 OD2 ASP A 51 -9.500 -10.100 8.027 1.00 0.00 O ATOM 0 H ASP A 51 -6.340 -10.851 5.653 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.832 -10.663 8.325 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.975 -12.101 6.739 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.999 -12.119 8.491 1.00 0.00 H new ATOM 647 N SER A 52 -5.410 -13.744 7.255 1.00 0.00 N ATOM 648 CA SER A 52 -4.863 -15.048 7.611 1.00 0.00 C ATOM 649 C SER A 52 -3.339 -15.035 7.543 1.00 0.00 C ATOM 650 O SER A 52 -2.711 -16.050 7.247 1.00 0.00 O ATOM 651 CB SER A 52 -5.417 -16.129 6.681 1.00 0.00 C ATOM 652 OG SER A 52 -5.025 -17.421 7.110 1.00 0.00 O ATOM 0 H SER A 52 -5.675 -13.652 6.274 1.00 0.00 H new ATOM 0 HA SER A 52 -5.162 -15.272 8.635 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.505 -16.066 6.653 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.061 -15.956 5.665 1.00 0.00 H new ATOM 0 HG SER A 52 -4.064 -17.425 7.301 1.00 0.00 H new ATOM 658 N GLY A 53 -2.750 -13.875 7.820 1.00 0.00 N ATOM 659 CA GLY A 53 -1.305 -13.750 7.785 1.00 0.00 C ATOM 660 C GLY A 53 -0.706 -14.307 6.509 1.00 0.00 C ATOM 661 O GLY A 53 0.157 -15.184 6.550 1.00 0.00 O ATOM 0 H GLY A 53 -3.248 -13.020 8.068 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.032 -12.699 7.883 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.877 -14.271 8.641 1.00 0.00 H new ATOM 665 N THR A 54 -1.165 -13.797 5.370 1.00 0.00 N ATOM 666 CA THR A 54 -0.671 -14.250 4.076 1.00 0.00 C ATOM 667 C THR A 54 0.172 -13.174 3.402 1.00 0.00 C ATOM 668 O THR A 54 -0.353 -12.171 2.918 1.00 0.00 O ATOM 669 CB THR A 54 -1.829 -14.642 3.138 1.00 0.00 C ATOM 670 OG1 THR A 54 -2.752 -15.491 3.828 1.00 0.00 O ATOM 671 CG2 THR A 54 -1.305 -15.353 1.900 1.00 0.00 C ATOM 0 H THR A 54 -1.878 -13.070 5.318 1.00 0.00 H new ATOM 0 HA THR A 54 -0.052 -15.128 4.264 1.00 0.00 H new ATOM 0 HB THR A 54 -2.339 -13.731 2.825 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.936 -16.285 3.284 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.140 -15.620 1.253 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.625 -14.693 1.361 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.773 -16.257 2.197 1.00 0.00 H new ATOM 679 N LYS A 55 1.483 -13.388 3.371 1.00 0.00 N ATOM 680 CA LYS A 55 2.400 -12.438 2.754 1.00 0.00 C ATOM 681 C LYS A 55 2.164 -12.352 1.250 1.00 0.00 C ATOM 682 O LYS A 55 2.193 -13.363 0.549 1.00 0.00 O ATOM 683 CB LYS A 55 3.850 -12.843 3.031 1.00 0.00 C ATOM 684 CG LYS A 55 4.188 -12.920 4.510 1.00 0.00 C ATOM 685 CD LYS A 55 5.383 -13.824 4.763 1.00 0.00 C ATOM 686 CE LYS A 55 6.692 -13.116 4.452 1.00 0.00 C ATOM 687 NZ LYS A 55 7.069 -13.252 3.017 1.00 0.00 N ATOM 0 H LYS A 55 1.934 -14.213 3.767 1.00 0.00 H new ATOM 0 HA LYS A 55 2.214 -11.457 3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.041 -13.813 2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.517 -12.126 2.551 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.401 -11.920 4.888 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.325 -13.293 5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.382 -14.148 5.804 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.298 -14.721 4.150 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.603 -12.060 4.705 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.485 -13.528 5.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.089 -13.441 2.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.539 -14.039 2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.843 -12.371 2.514 1.00 0.00 H new ATOM 701 N ALA A 56 1.931 -11.139 0.760 1.00 0.00 N ATOM 702 CA ALA A 56 1.694 -10.921 -0.662 1.00 0.00 C ATOM 703 C ALA A 56 2.933 -10.351 -1.344 1.00 0.00 C ATOM 704 O ALA A 56 3.695 -9.599 -0.738 1.00 0.00 O ATOM 705 CB ALA A 56 0.504 -9.995 -0.863 1.00 0.00 C ATOM 0 H ALA A 56 1.901 -10.292 1.327 1.00 0.00 H new ATOM 0 HA ALA A 56 1.471 -11.885 -1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.339 -9.841 -1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.385 -10.443 -0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.704 -9.036 -0.385 1.00 0.00 H new ATOM 711 N GLU A 57 3.127 -10.715 -2.608 1.00 0.00 N ATOM 712 CA GLU A 57 4.275 -10.239 -3.371 1.00 0.00 C ATOM 713 C GLU A 57 4.197 -8.730 -3.587 1.00 0.00 C ATOM 714 O GLU A 57 3.341 -8.240 -4.323 1.00 0.00 O ATOM 715 CB GLU A 57 4.350 -10.955 -4.721 1.00 0.00 C ATOM 716 CG GLU A 57 5.763 -11.089 -5.262 1.00 0.00 C ATOM 717 CD GLU A 57 5.798 -11.275 -6.766 1.00 0.00 C ATOM 718 OE1 GLU A 57 5.010 -12.096 -7.281 1.00 0.00 O ATOM 719 OE2 GLU A 57 6.612 -10.599 -7.429 1.00 0.00 O ATOM 0 H GLU A 57 2.505 -11.337 -3.124 1.00 0.00 H new ATOM 0 HA GLU A 57 5.176 -10.461 -2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.913 -11.948 -4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.743 -10.412 -5.445 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.335 -10.200 -4.996 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.252 -11.938 -4.784 1.00 0.00 H new ATOM 726 N VAL A 58 5.098 -7.999 -2.939 1.00 0.00 N ATOM 727 CA VAL A 58 5.134 -6.546 -3.059 1.00 0.00 C ATOM 728 C VAL A 58 6.463 -6.075 -3.637 1.00 0.00 C ATOM 729 O VAL A 58 7.519 -6.622 -3.317 1.00 0.00 O ATOM 730 CB VAL A 58 4.907 -5.865 -1.697 1.00 0.00 C ATOM 731 CG1 VAL A 58 5.001 -4.353 -1.834 1.00 0.00 C ATOM 732 CG2 VAL A 58 3.562 -6.272 -1.115 1.00 0.00 C ATOM 0 H VAL A 58 5.813 -8.389 -2.325 1.00 0.00 H new ATOM 0 HA VAL A 58 4.328 -6.264 -3.736 1.00 0.00 H new ATOM 0 HB VAL A 58 5.688 -6.194 -1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.838 -3.889 -0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.990 -4.082 -2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.243 -4.003 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.419 -5.781 -0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.765 -5.974 -1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.537 -7.353 -0.978 1.00 0.00 H new ATOM 742 N SER A 59 6.405 -5.056 -4.488 1.00 0.00 N ATOM 743 CA SER A 59 7.605 -4.512 -5.113 1.00 0.00 C ATOM 744 C SER A 59 7.451 -3.017 -5.375 1.00 0.00 C ATOM 745 O SER A 59 6.348 -2.530 -5.625 1.00 0.00 O ATOM 746 CB SER A 59 7.898 -5.243 -6.424 1.00 0.00 C ATOM 747 OG SER A 59 9.037 -4.698 -7.068 1.00 0.00 O ATOM 0 H SER A 59 5.540 -4.590 -4.761 1.00 0.00 H new ATOM 0 HA SER A 59 8.440 -4.659 -4.428 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.061 -6.302 -6.225 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.034 -5.172 -7.085 1.00 0.00 H new ATOM 0 HG SER A 59 9.204 -5.183 -7.903 1.00 0.00 H new ATOM 753 N ILE A 60 8.564 -2.294 -5.314 1.00 0.00 N ATOM 754 CA ILE A 60 8.554 -0.855 -5.545 1.00 0.00 C ATOM 755 C ILE A 60 9.501 -0.474 -6.679 1.00 0.00 C ATOM 756 O ILE A 60 10.653 -0.906 -6.709 1.00 0.00 O ATOM 757 CB ILE A 60 8.952 -0.078 -4.276 1.00 0.00 C ATOM 758 CG1 ILE A 60 8.021 -0.441 -3.117 1.00 0.00 C ATOM 759 CG2 ILE A 60 8.919 1.420 -4.540 1.00 0.00 C ATOM 760 CD1 ILE A 60 8.635 -0.210 -1.754 1.00 0.00 C ATOM 0 H ILE A 60 9.484 -2.681 -5.106 1.00 0.00 H new ATOM 0 HA ILE A 60 7.534 -0.587 -5.820 1.00 0.00 H new ATOM 0 HB ILE A 60 9.969 -0.356 -4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.106 0.146 -3.199 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.736 -1.489 -3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.203 1.955 -3.634 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.618 1.664 -5.340 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.912 1.715 -4.836 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.919 -0.489 -0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 60 9.534 -0.818 -1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.895 0.843 -1.646 1.00 0.00 H new ATOM 772 N GLN A 61 9.007 0.339 -7.607 1.00 0.00 N ATOM 773 CA GLN A 61 9.809 0.780 -8.741 1.00 0.00 C ATOM 774 C GLN A 61 10.019 2.290 -8.706 1.00 0.00 C ATOM 775 O GLN A 61 9.061 3.060 -8.753 1.00 0.00 O ATOM 776 CB GLN A 61 9.137 0.377 -10.055 1.00 0.00 C ATOM 777 CG GLN A 61 10.053 0.483 -11.264 1.00 0.00 C ATOM 778 CD GLN A 61 10.927 -0.743 -11.443 1.00 0.00 C ATOM 779 OE1 GLN A 61 10.434 -1.835 -11.726 1.00 0.00 O ATOM 780 NE2 GLN A 61 12.233 -0.568 -11.280 1.00 0.00 N ATOM 0 H GLN A 61 8.055 0.705 -7.596 1.00 0.00 H new ATOM 0 HA GLN A 61 10.783 0.295 -8.675 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.778 -0.649 -9.970 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.263 1.008 -10.215 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.450 0.629 -12.160 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.686 1.364 -11.159 1.00 0.00 H new ATOM 0 HE21 GLN A 61 12.599 0.355 -11.046 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.871 -1.357 -11.389 1.00 0.00 H new ATOM 858 N THR A 67 8.287 9.960 -8.454 1.00 0.00 N ATOM 859 CA THR A 67 7.171 9.099 -8.082 1.00 0.00 C ATOM 860 C THR A 67 7.612 7.644 -7.971 1.00 0.00 C ATOM 861 O THR A 67 8.755 7.306 -8.281 1.00 0.00 O ATOM 862 CB THR A 67 6.020 9.199 -9.101 1.00 0.00 C ATOM 863 OG1 THR A 67 6.545 9.213 -10.433 1.00 0.00 O ATOM 864 CG2 THR A 67 5.194 10.454 -8.863 1.00 0.00 C ATOM 0 HA THR A 67 6.817 9.443 -7.110 1.00 0.00 H new ATOM 0 HB THR A 67 5.375 8.329 -8.974 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.471 9.532 -10.416 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.387 10.503 -9.595 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.772 10.427 -7.858 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.830 11.333 -8.965 1.00 0.00 H new ATOM 872 N TYR A 68 6.699 6.786 -7.529 1.00 0.00 N ATOM 873 CA TYR A 68 6.995 5.367 -7.376 1.00 0.00 C ATOM 874 C TYR A 68 5.822 4.512 -7.846 1.00 0.00 C ATOM 875 O TYR A 68 4.682 4.973 -7.889 1.00 0.00 O ATOM 876 CB TYR A 68 7.320 5.046 -5.916 1.00 0.00 C ATOM 877 CG TYR A 68 8.479 5.846 -5.364 1.00 0.00 C ATOM 878 CD1 TYR A 68 8.400 7.228 -5.242 1.00 0.00 C ATOM 879 CD2 TYR A 68 9.653 5.219 -4.964 1.00 0.00 C ATOM 880 CE1 TYR A 68 9.457 7.962 -4.740 1.00 0.00 C ATOM 881 CE2 TYR A 68 10.714 5.945 -4.459 1.00 0.00 C ATOM 882 CZ TYR A 68 10.611 7.316 -4.349 1.00 0.00 C ATOM 883 OH TYR A 68 11.665 8.044 -3.847 1.00 0.00 O ATOM 0 H TYR A 68 5.748 7.049 -7.270 1.00 0.00 H new ATOM 0 HA TYR A 68 7.862 5.135 -7.994 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.436 5.234 -5.306 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.548 3.984 -5.828 1.00 0.00 H new ATOM 0 HD1 TYR A 68 7.497 7.737 -5.545 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.737 4.146 -5.049 1.00 0.00 H new ATOM 0 HE1 TYR A 68 9.380 9.036 -4.654 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.619 5.442 -4.152 1.00 0.00 H new ATOM 0 HH TYR A 68 12.401 7.439 -3.618 1.00 0.00 H new ATOM 893 N ALA A 69 6.112 3.264 -8.199 1.00 0.00 N ATOM 894 CA ALA A 69 5.082 2.343 -8.664 1.00 0.00 C ATOM 895 C ALA A 69 5.026 1.095 -7.789 1.00 0.00 C ATOM 896 O ALA A 69 5.754 0.129 -8.019 1.00 0.00 O ATOM 897 CB ALA A 69 5.332 1.961 -10.115 1.00 0.00 C ATOM 0 H ALA A 69 7.051 2.868 -8.172 1.00 0.00 H new ATOM 0 HA ALA A 69 4.119 2.848 -8.593 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.555 1.273 -10.449 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.314 2.857 -10.735 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.306 1.479 -10.202 1.00 0.00 H new ATOM 903 N VAL A 70 4.157 1.122 -6.783 1.00 0.00 N ATOM 904 CA VAL A 70 4.006 -0.007 -5.873 1.00 0.00 C ATOM 905 C VAL A 70 2.894 -0.941 -6.337 1.00 0.00 C ATOM 906 O VAL A 70 1.866 -0.496 -6.849 1.00 0.00 O ATOM 907 CB VAL A 70 3.700 0.465 -4.439 1.00 0.00 C ATOM 908 CG1 VAL A 70 3.332 -0.717 -3.555 1.00 0.00 C ATOM 909 CG2 VAL A 70 4.886 1.223 -3.863 1.00 0.00 C ATOM 0 H VAL A 70 3.547 1.913 -6.578 1.00 0.00 H new ATOM 0 HA VAL A 70 4.954 -0.545 -5.876 1.00 0.00 H new ATOM 0 HB VAL A 70 2.847 1.143 -4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.119 -0.364 -2.546 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.450 -1.213 -3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.163 -1.422 -3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.652 1.549 -2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.759 0.571 -3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.098 2.093 -4.484 1.00 0.00 H new ATOM 919 N THR A 71 3.106 -2.241 -6.154 1.00 0.00 N ATOM 920 CA THR A 71 2.122 -3.239 -6.554 1.00 0.00 C ATOM 921 C THR A 71 2.097 -4.409 -5.577 1.00 0.00 C ATOM 922 O THR A 71 3.113 -4.742 -4.966 1.00 0.00 O ATOM 923 CB THR A 71 2.409 -3.774 -7.970 1.00 0.00 C ATOM 924 OG1 THR A 71 2.957 -2.732 -8.786 1.00 0.00 O ATOM 925 CG2 THR A 71 1.140 -4.314 -8.612 1.00 0.00 C ATOM 0 H THR A 71 3.950 -2.627 -5.731 1.00 0.00 H new ATOM 0 HA THR A 71 1.151 -2.745 -6.550 1.00 0.00 H new ATOM 0 HB THR A 71 3.130 -4.587 -7.888 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.138 -3.081 -9.684 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.368 -4.686 -9.611 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.742 -5.126 -8.004 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.400 -3.517 -8.682 1.00 0.00 H new ATOM 933 N TYR A 72 0.931 -5.029 -5.434 1.00 0.00 N ATOM 934 CA TYR A 72 0.774 -6.161 -4.529 1.00 0.00 C ATOM 935 C TYR A 72 -0.125 -7.230 -5.144 1.00 0.00 C ATOM 936 O TYR A 72 -1.176 -6.924 -5.707 1.00 0.00 O ATOM 937 CB TYR A 72 0.192 -5.696 -3.193 1.00 0.00 C ATOM 938 CG TYR A 72 -1.283 -5.367 -3.257 1.00 0.00 C ATOM 939 CD1 TYR A 72 -2.243 -6.363 -3.125 1.00 0.00 C ATOM 940 CD2 TYR A 72 -1.716 -4.061 -3.448 1.00 0.00 C ATOM 941 CE1 TYR A 72 -3.591 -6.067 -3.184 1.00 0.00 C ATOM 942 CE2 TYR A 72 -3.062 -3.755 -3.506 1.00 0.00 C ATOM 943 CZ TYR A 72 -3.996 -4.762 -3.374 1.00 0.00 C ATOM 944 OH TYR A 72 -5.337 -4.463 -3.432 1.00 0.00 O ATOM 0 H TYR A 72 0.081 -4.767 -5.933 1.00 0.00 H new ATOM 0 HA TYR A 72 1.759 -6.595 -4.357 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.350 -6.475 -2.447 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.738 -4.815 -2.855 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.930 -7.386 -2.974 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.987 -3.271 -3.553 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.324 -6.853 -3.082 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.381 -2.734 -3.654 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.460 -3.495 -3.344 1.00 0.00 H new ATOM 954 N VAL A 73 0.297 -8.485 -5.031 1.00 0.00 N ATOM 955 CA VAL A 73 -0.469 -9.601 -5.574 1.00 0.00 C ATOM 956 C VAL A 73 -1.026 -10.478 -4.459 1.00 0.00 C ATOM 957 O VAL A 73 -0.318 -11.288 -3.859 1.00 0.00 O ATOM 958 CB VAL A 73 0.390 -10.467 -6.514 1.00 0.00 C ATOM 959 CG1 VAL A 73 -0.424 -11.629 -7.062 1.00 0.00 C ATOM 960 CG2 VAL A 73 0.959 -9.623 -7.644 1.00 0.00 C ATOM 0 H VAL A 73 1.165 -8.755 -4.568 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.295 -9.172 -6.142 1.00 0.00 H new ATOM 0 HB VAL A 73 1.223 -10.876 -5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.200 -12.230 -7.724 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.777 -12.247 -6.237 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.278 -11.244 -7.619 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.563 -10.251 -8.299 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.142 -9.183 -8.216 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.580 -8.829 -7.228 1.00 0.00 H new ATOM 970 N PRO A 74 -2.327 -10.317 -4.173 1.00 0.00 N ATOM 971 CA PRO A 74 -3.009 -11.088 -3.129 1.00 0.00 C ATOM 972 C PRO A 74 -3.173 -12.556 -3.506 1.00 0.00 C ATOM 973 O PRO A 74 -4.166 -12.942 -4.124 1.00 0.00 O ATOM 974 CB PRO A 74 -4.376 -10.407 -3.023 1.00 0.00 C ATOM 975 CG PRO A 74 -4.593 -9.781 -4.357 1.00 0.00 C ATOM 976 CD PRO A 74 -3.232 -9.371 -4.848 1.00 0.00 C ATOM 0 HA PRO A 74 -2.447 -11.096 -2.195 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -5.160 -11.128 -2.792 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.386 -9.660 -2.229 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -5.061 -10.484 -5.046 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.256 -8.919 -4.281 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.156 -9.447 -5.933 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.004 -8.338 -4.584 1.00 0.00 H new ATOM 984 N LEU A 75 -2.194 -13.371 -3.129 1.00 0.00 N ATOM 985 CA LEU A 75 -2.231 -14.799 -3.427 1.00 0.00 C ATOM 986 C LEU A 75 -3.574 -15.404 -3.032 1.00 0.00 C ATOM 987 O LEU A 75 -4.098 -16.282 -3.718 1.00 0.00 O ATOM 988 CB LEU A 75 -1.098 -15.521 -2.696 1.00 0.00 C ATOM 989 CG LEU A 75 0.322 -15.102 -3.078 1.00 0.00 C ATOM 990 CD1 LEU A 75 1.318 -15.576 -2.031 1.00 0.00 C ATOM 991 CD2 LEU A 75 0.688 -15.648 -4.450 1.00 0.00 C ATOM 0 H LEU A 75 -1.366 -13.068 -2.617 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.100 -14.924 -4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.226 -15.364 -1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.200 -16.591 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 75 0.360 -14.013 -3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.323 -15.269 -2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.068 -15.137 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.278 -16.663 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.702 -15.340 -4.706 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.632 -16.736 -4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.008 -15.259 -5.194 1.00 0.00 H new ATOM 1003 N THR A 76 -4.128 -14.927 -1.922 1.00 0.00 N ATOM 1004 CA THR A 76 -5.411 -15.419 -1.435 1.00 0.00 C ATOM 1005 C THR A 76 -6.405 -14.278 -1.255 1.00 0.00 C ATOM 1006 O THR A 76 -6.017 -13.136 -1.016 1.00 0.00 O ATOM 1007 CB THR A 76 -5.255 -16.165 -0.097 1.00 0.00 C ATOM 1008 OG1 THR A 76 -6.509 -16.734 0.296 1.00 0.00 O ATOM 1009 CG2 THR A 76 -4.755 -15.226 0.991 1.00 0.00 C ATOM 0 H THR A 76 -3.708 -14.200 -1.343 1.00 0.00 H new ATOM 0 HA THR A 76 -5.790 -16.112 -2.187 1.00 0.00 H new ATOM 0 HB THR A 76 -4.522 -16.961 -0.233 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.401 -17.208 1.147 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.653 -15.775 1.927 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.787 -14.817 0.702 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.467 -14.412 1.124 1.00 0.00 H new ATOM 1017 N ALA A 77 -7.690 -14.596 -1.372 1.00 0.00 N ATOM 1018 CA ALA A 77 -8.741 -13.597 -1.219 1.00 0.00 C ATOM 1019 C ALA A 77 -8.988 -13.281 0.252 1.00 0.00 C ATOM 1020 O ALA A 77 -8.763 -14.119 1.124 1.00 0.00 O ATOM 1021 CB ALA A 77 -10.025 -14.076 -1.881 1.00 0.00 C ATOM 0 H ALA A 77 -8.028 -15.537 -1.572 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.412 -12.681 -1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.801 -13.320 -1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.846 -14.244 -2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.349 -15.007 -1.416 1.00 0.00 H new ATOM 1027 N GLY A 78 -9.453 -12.064 0.521 1.00 0.00 N ATOM 1028 CA GLY A 78 -9.722 -11.659 1.888 1.00 0.00 C ATOM 1029 C GLY A 78 -9.258 -10.244 2.175 1.00 0.00 C ATOM 1030 O GLY A 78 -8.598 -9.620 1.345 1.00 0.00 O ATOM 0 H GLY A 78 -9.648 -11.352 -0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.792 -11.734 2.082 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.225 -12.347 2.572 1.00 0.00 H new ATOM 1034 N MET A 79 -9.607 -9.737 3.353 1.00 0.00 N ATOM 1035 CA MET A 79 -9.222 -8.386 3.746 1.00 0.00 C ATOM 1036 C MET A 79 -7.715 -8.290 3.960 1.00 0.00 C ATOM 1037 O MET A 79 -7.152 -8.993 4.800 1.00 0.00 O ATOM 1038 CB MET A 79 -9.957 -7.975 5.023 1.00 0.00 C ATOM 1039 CG MET A 79 -11.424 -7.642 4.800 1.00 0.00 C ATOM 1040 SD MET A 79 -11.655 -6.214 3.723 1.00 0.00 S ATOM 1041 CE MET A 79 -11.226 -4.878 4.836 1.00 0.00 C ATOM 0 H MET A 79 -10.155 -10.240 4.051 1.00 0.00 H new ATOM 0 HA MET A 79 -9.500 -7.707 2.940 1.00 0.00 H new ATOM 0 HB2 MET A 79 -9.883 -8.783 5.751 1.00 0.00 H new ATOM 0 HB3 MET A 79 -9.458 -7.108 5.457 1.00 0.00 H new ATOM 0 HG2 MET A 79 -11.927 -8.506 4.365 1.00 0.00 H new ATOM 0 HG3 MET A 79 -11.899 -7.448 5.762 1.00 0.00 H new ATOM 0 HE1 MET A 79 -11.584 -3.934 4.426 1.00 0.00 H new ATOM 0 HE2 MET A 79 -11.690 -5.050 5.807 1.00 0.00 H new ATOM 0 HE3 MET A 79 -10.143 -4.836 4.953 1.00 0.00 H new ATOM 1051 N TYR A 80 -7.068 -7.418 3.196 1.00 0.00 N ATOM 1052 CA TYR A 80 -5.625 -7.233 3.301 1.00 0.00 C ATOM 1053 C TYR A 80 -5.293 -6.004 4.142 1.00 0.00 C ATOM 1054 O TYR A 80 -6.084 -5.064 4.231 1.00 0.00 O ATOM 1055 CB TYR A 80 -5.005 -7.094 1.909 1.00 0.00 C ATOM 1056 CG TYR A 80 -4.569 -8.411 1.307 1.00 0.00 C ATOM 1057 CD1 TYR A 80 -5.448 -9.177 0.552 1.00 0.00 C ATOM 1058 CD2 TYR A 80 -3.277 -8.888 1.493 1.00 0.00 C ATOM 1059 CE1 TYR A 80 -5.054 -10.381 0.000 1.00 0.00 C ATOM 1060 CE2 TYR A 80 -2.874 -10.090 0.944 1.00 0.00 C ATOM 1061 CZ TYR A 80 -3.766 -10.833 0.199 1.00 0.00 C ATOM 1062 OH TYR A 80 -3.369 -12.031 -0.350 1.00 0.00 O ATOM 0 H TYR A 80 -7.519 -6.828 2.497 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.207 -8.111 3.792 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -5.728 -6.621 1.244 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.144 -6.428 1.969 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.457 -8.826 0.394 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.576 -8.309 2.077 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -5.750 -10.965 -0.584 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.866 -10.446 1.097 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.157 -12.531 -0.648 1.00 0.00 H new ATOM 1072 N THR A 81 -4.115 -6.018 4.759 1.00 0.00 N ATOM 1073 CA THR A 81 -3.676 -4.907 5.594 1.00 0.00 C ATOM 1074 C THR A 81 -2.448 -4.225 5.001 1.00 0.00 C ATOM 1075 O THR A 81 -1.316 -4.645 5.243 1.00 0.00 O ATOM 1076 CB THR A 81 -3.350 -5.374 7.025 1.00 0.00 C ATOM 1077 OG1 THR A 81 -4.527 -5.899 7.649 1.00 0.00 O ATOM 1078 CG2 THR A 81 -2.798 -4.226 7.856 1.00 0.00 C ATOM 0 H THR A 81 -3.448 -6.787 4.696 1.00 0.00 H new ATOM 0 HA THR A 81 -4.500 -4.195 5.632 1.00 0.00 H new ATOM 0 HB THR A 81 -2.592 -6.155 6.965 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.311 -6.195 8.558 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.575 -4.580 8.863 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.886 -3.848 7.394 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.537 -3.426 7.908 1.00 0.00 H new ATOM 1086 N LEU A 82 -2.679 -3.172 4.225 1.00 0.00 N ATOM 1087 CA LEU A 82 -1.590 -2.431 3.598 1.00 0.00 C ATOM 1088 C LEU A 82 -0.863 -1.562 4.620 1.00 0.00 C ATOM 1089 O LEU A 82 -1.477 -0.739 5.301 1.00 0.00 O ATOM 1090 CB LEU A 82 -2.127 -1.560 2.462 1.00 0.00 C ATOM 1091 CG LEU A 82 -3.199 -2.198 1.577 1.00 0.00 C ATOM 1092 CD1 LEU A 82 -3.974 -1.128 0.823 1.00 0.00 C ATOM 1093 CD2 LEU A 82 -2.570 -3.187 0.606 1.00 0.00 C ATOM 0 H LEU A 82 -3.610 -2.812 4.015 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.881 -3.152 3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.537 -0.647 2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.290 -1.266 1.829 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.896 -2.740 2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.732 -1.600 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.456 -0.458 1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.290 -0.558 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.347 -3.631 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.851 -2.668 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.060 -3.972 1.165 1.00 0.00 H new ATOM 1105 N THR A 83 0.449 -1.748 4.721 1.00 0.00 N ATOM 1106 CA THR A 83 1.260 -0.981 5.659 1.00 0.00 C ATOM 1107 C THR A 83 2.395 -0.259 4.941 1.00 0.00 C ATOM 1108 O THR A 83 3.417 -0.861 4.614 1.00 0.00 O ATOM 1109 CB THR A 83 1.854 -1.883 6.757 1.00 0.00 C ATOM 1110 OG1 THR A 83 0.828 -2.706 7.323 1.00 0.00 O ATOM 1111 CG2 THR A 83 2.502 -1.048 7.851 1.00 0.00 C ATOM 0 H THR A 83 0.973 -2.423 4.165 1.00 0.00 H new ATOM 0 HA THR A 83 0.600 -0.247 6.121 1.00 0.00 H new ATOM 0 HB THR A 83 2.618 -2.515 6.304 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.214 -3.278 8.019 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.914 -1.707 8.615 1.00 0.00 H new ATOM 0 HG22 THR A 83 3.302 -0.444 7.422 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.755 -0.394 8.300 1.00 0.00 H new ATOM 1119 N MET A 84 2.208 1.035 4.700 1.00 0.00 N ATOM 1120 CA MET A 84 3.219 1.839 4.023 1.00 0.00 C ATOM 1121 C MET A 84 3.912 2.779 5.003 1.00 0.00 C ATOM 1122 O MET A 84 3.268 3.610 5.644 1.00 0.00 O ATOM 1123 CB MET A 84 2.583 2.645 2.888 1.00 0.00 C ATOM 1124 CG MET A 84 3.597 3.347 2.000 1.00 0.00 C ATOM 1125 SD MET A 84 2.821 4.374 0.737 1.00 0.00 S ATOM 1126 CE MET A 84 2.631 3.190 -0.593 1.00 0.00 C ATOM 0 H MET A 84 1.367 1.548 4.963 1.00 0.00 H new ATOM 0 HA MET A 84 3.966 1.163 3.606 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.976 1.978 2.276 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.909 3.388 3.314 1.00 0.00 H new ATOM 0 HG2 MET A 84 4.247 3.967 2.617 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.230 2.602 1.518 1.00 0.00 H new ATOM 0 HE1 MET A 84 2.229 3.692 -1.473 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.601 2.756 -0.835 1.00 0.00 H new ATOM 0 HE3 MET A 84 1.947 2.400 -0.282 1.00 0.00 H new ATOM 1136 N LYS A 85 5.229 2.643 5.116 1.00 0.00 N ATOM 1137 CA LYS A 85 6.011 3.481 6.017 1.00 0.00 C ATOM 1138 C LYS A 85 7.083 4.250 5.253 1.00 0.00 C ATOM 1139 O LYS A 85 7.965 3.655 4.632 1.00 0.00 O ATOM 1140 CB LYS A 85 6.662 2.625 7.106 1.00 0.00 C ATOM 1141 CG LYS A 85 5.774 2.403 8.318 1.00 0.00 C ATOM 1142 CD LYS A 85 6.594 2.236 9.587 1.00 0.00 C ATOM 1143 CE LYS A 85 5.870 1.371 10.608 1.00 0.00 C ATOM 1144 NZ LYS A 85 6.597 1.320 11.906 1.00 0.00 N ATOM 0 H LYS A 85 5.778 1.960 4.594 1.00 0.00 H new ATOM 0 HA LYS A 85 5.336 4.199 6.482 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.933 1.658 6.683 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.588 3.103 7.427 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.094 3.247 8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.159 1.517 8.162 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.556 1.785 9.343 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.801 3.215 10.019 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.866 1.763 10.769 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.758 0.361 10.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.072 0.721 12.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.546 0.922 11.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.681 2.281 12.295 1.00 0.00 H new ATOM 1158 N TYR A 86 7.002 5.575 5.302 1.00 0.00 N ATOM 1159 CA TYR A 86 7.965 6.426 4.613 1.00 0.00 C ATOM 1160 C TYR A 86 8.933 7.066 5.603 1.00 0.00 C ATOM 1161 O TYR A 86 8.519 7.681 6.585 1.00 0.00 O ATOM 1162 CB TYR A 86 7.239 7.512 3.817 1.00 0.00 C ATOM 1163 CG TYR A 86 8.125 8.227 2.822 1.00 0.00 C ATOM 1164 CD1 TYR A 86 8.868 9.340 3.197 1.00 0.00 C ATOM 1165 CD2 TYR A 86 8.219 7.791 1.506 1.00 0.00 C ATOM 1166 CE1 TYR A 86 9.678 9.997 2.291 1.00 0.00 C ATOM 1167 CE2 TYR A 86 9.027 8.441 0.594 1.00 0.00 C ATOM 1168 CZ TYR A 86 9.755 9.544 0.991 1.00 0.00 C ATOM 1169 OH TYR A 86 10.560 10.195 0.085 1.00 0.00 O ATOM 0 H TYR A 86 6.279 6.083 5.812 1.00 0.00 H new ATOM 0 HA TYR A 86 8.537 5.802 3.926 1.00 0.00 H new ATOM 0 HB2 TYR A 86 6.400 7.062 3.286 1.00 0.00 H new ATOM 0 HB3 TYR A 86 6.823 8.242 4.511 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.811 9.698 4.215 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.650 6.929 1.191 1.00 0.00 H new ATOM 0 HE1 TYR A 86 10.248 10.861 2.599 1.00 0.00 H new ATOM 0 HE2 TYR A 86 9.089 8.088 -0.425 1.00 0.00 H new ATOM 0 HH TYR A 86 11.016 10.940 0.529 1.00 0.00 H new ATOM 1179 N GLY A 87 10.227 6.918 5.336 1.00 0.00 N ATOM 1180 CA GLY A 87 11.235 7.487 6.211 1.00 0.00 C ATOM 1181 C GLY A 87 11.089 7.019 7.645 1.00 0.00 C ATOM 1182 O GLY A 87 11.407 7.753 8.580 1.00 0.00 O ATOM 0 H GLY A 87 10.595 6.414 4.529 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.225 7.217 5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 87 11.168 8.574 6.178 1.00 0.00 H new ATOM 1186 N GLY A 88 10.604 5.794 7.820 1.00 0.00 N ATOM 1187 CA GLY A 88 10.422 5.251 9.153 1.00 0.00 C ATOM 1188 C GLY A 88 9.165 5.769 9.824 1.00 0.00 C ATOM 1189 O GLY A 88 8.929 5.504 11.002 1.00 0.00 O ATOM 0 H GLY A 88 10.334 5.168 7.062 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.378 4.163 9.096 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.287 5.503 9.766 1.00 0.00 H new ATOM 1193 N GLU A 89 8.357 6.510 9.072 1.00 0.00 N ATOM 1194 CA GLU A 89 7.119 7.067 9.603 1.00 0.00 C ATOM 1195 C GLU A 89 5.930 6.688 8.724 1.00 0.00 C ATOM 1196 O GLU A 89 5.980 6.824 7.501 1.00 0.00 O ATOM 1197 CB GLU A 89 7.223 8.590 9.708 1.00 0.00 C ATOM 1198 CG GLU A 89 8.408 9.064 10.534 1.00 0.00 C ATOM 1199 CD GLU A 89 8.137 10.375 11.244 1.00 0.00 C ATOM 1200 OE1 GLU A 89 6.979 10.602 11.653 1.00 0.00 O ATOM 1201 OE2 GLU A 89 9.084 11.176 11.392 1.00 0.00 O ATOM 0 H GLU A 89 8.538 6.738 8.094 1.00 0.00 H new ATOM 0 HA GLU A 89 6.961 6.650 10.598 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.298 9.011 8.705 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.305 8.979 10.149 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.661 8.302 11.271 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.276 9.179 9.885 1.00 0.00 H new ATOM 1208 N LEU A 90 4.864 6.211 9.356 1.00 0.00 N ATOM 1209 CA LEU A 90 3.662 5.810 8.632 1.00 0.00 C ATOM 1210 C LEU A 90 3.072 6.988 7.863 1.00 0.00 C ATOM 1211 O LEU A 90 3.211 8.141 8.269 1.00 0.00 O ATOM 1212 CB LEU A 90 2.622 5.248 9.603 1.00 0.00 C ATOM 1213 CG LEU A 90 2.680 3.740 9.850 1.00 0.00 C ATOM 1214 CD1 LEU A 90 1.731 3.346 10.971 1.00 0.00 C ATOM 1215 CD2 LEU A 90 2.348 2.979 8.575 1.00 0.00 C ATOM 0 H LEU A 90 4.807 6.092 10.367 1.00 0.00 H new ATOM 0 HA LEU A 90 3.939 5.035 7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.735 5.757 10.560 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.630 5.496 9.225 1.00 0.00 H new ATOM 0 HG LEU A 90 3.694 3.479 10.152 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.786 2.269 11.133 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.014 3.865 11.887 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.712 3.621 10.698 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.394 1.907 8.769 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.344 3.245 8.243 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.068 3.239 7.799 1.00 0.00 H new ATOM 1227 N VAL A 91 2.409 6.689 6.750 1.00 0.00 N ATOM 1228 CA VAL A 91 1.795 7.721 5.925 1.00 0.00 C ATOM 1229 C VAL A 91 0.319 7.894 6.268 1.00 0.00 C ATOM 1230 O VAL A 91 -0.311 7.019 6.863 1.00 0.00 O ATOM 1231 CB VAL A 91 1.926 7.395 4.425 1.00 0.00 C ATOM 1232 CG1 VAL A 91 3.184 8.027 3.849 1.00 0.00 C ATOM 1233 CG2 VAL A 91 1.929 5.889 4.207 1.00 0.00 C ATOM 0 H VAL A 91 2.284 5.739 6.399 1.00 0.00 H new ATOM 0 HA VAL A 91 2.326 8.649 6.135 1.00 0.00 H new ATOM 0 HB VAL A 91 1.066 7.814 3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.260 7.786 2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.137 9.109 3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.058 7.640 4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.022 5.676 3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.770 5.446 4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.997 5.465 4.582 1.00 0.00 H new ATOM 1243 N PRO A 92 -0.247 9.048 5.885 1.00 0.00 N ATOM 1244 CA PRO A 92 -1.655 9.362 6.141 1.00 0.00 C ATOM 1245 C PRO A 92 -2.601 8.507 5.305 1.00 0.00 C ATOM 1246 O PRO A 92 -3.817 8.699 5.335 1.00 0.00 O ATOM 1247 CB PRO A 92 -1.769 10.835 5.740 1.00 0.00 C ATOM 1248 CG PRO A 92 -0.677 11.042 4.748 1.00 0.00 C ATOM 1249 CD PRO A 92 0.445 10.135 5.172 1.00 0.00 C ATOM 0 HA PRO A 92 -1.935 9.165 7.176 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.745 11.053 5.306 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.650 11.491 6.603 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -1.014 10.800 3.740 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.354 12.083 4.735 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.005 9.761 4.315 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.156 10.650 5.818 1.00 0.00 H new ATOM 1257 N HIS A 93 -2.036 7.563 4.560 1.00 0.00 N ATOM 1258 CA HIS A 93 -2.830 6.677 3.716 1.00 0.00 C ATOM 1259 C HIS A 93 -2.640 5.220 4.127 1.00 0.00 C ATOM 1260 O HIS A 93 -2.940 4.304 3.361 1.00 0.00 O ATOM 1261 CB HIS A 93 -2.445 6.858 2.247 1.00 0.00 C ATOM 1262 CG HIS A 93 -2.419 8.289 1.807 1.00 0.00 C ATOM 1263 ND1 HIS A 93 -1.524 9.275 2.053 1.00 0.00 N flip ATOM 1264 CD2 HIS A 93 -3.398 8.852 1.016 1.00 0.00 C flip ATOM 1265 CE1 HIS A 93 -1.973 10.403 1.412 1.00 0.00 C flip ATOM 1266 NE2 HIS A 93 -3.106 10.121 0.793 1.00 0.00 N flip ATOM 0 H HIS A 93 -1.031 7.392 4.523 1.00 0.00 H new ATOM 0 HA HIS A 93 -3.880 6.939 3.844 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -1.462 6.417 2.081 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.151 6.308 1.624 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -4.268 8.336 0.638 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -1.481 11.364 1.413 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -3.661 10.772 0.238 1.00 0.00 H new ATOM 1275 N PHE A 94 -2.141 5.014 5.341 1.00 0.00 N ATOM 1276 CA PHE A 94 -1.910 3.668 5.854 1.00 0.00 C ATOM 1277 C PHE A 94 -1.846 3.671 7.379 1.00 0.00 C ATOM 1278 O PHE A 94 -1.491 4.667 8.009 1.00 0.00 O ATOM 1279 CB PHE A 94 -0.613 3.096 5.279 1.00 0.00 C ATOM 1280 CG PHE A 94 -0.628 2.964 3.783 1.00 0.00 C ATOM 1281 CD1 PHE A 94 -0.380 4.062 2.975 1.00 0.00 C ATOM 1282 CD2 PHE A 94 -0.889 1.742 3.184 1.00 0.00 C ATOM 1283 CE1 PHE A 94 -0.394 3.944 1.598 1.00 0.00 C ATOM 1284 CE2 PHE A 94 -0.904 1.618 1.807 1.00 0.00 C ATOM 1285 CZ PHE A 94 -0.655 2.720 1.013 1.00 0.00 C ATOM 0 H PHE A 94 -1.889 5.761 5.988 1.00 0.00 H new ATOM 0 HA PHE A 94 -2.745 3.039 5.544 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.219 3.737 5.571 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.430 2.116 5.720 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.173 5.021 3.426 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -1.083 0.876 3.800 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -0.201 4.808 0.980 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.110 0.660 1.353 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.664 2.625 -0.063 1.00 0.00 H new ATOM 1295 N PRO A 95 -2.197 2.528 7.987 1.00 0.00 N ATOM 1296 CA PRO A 95 -2.622 1.336 7.248 1.00 0.00 C ATOM 1297 C PRO A 95 -3.984 1.517 6.587 1.00 0.00 C ATOM 1298 O PRO A 95 -4.792 2.335 7.025 1.00 0.00 O ATOM 1299 CB PRO A 95 -2.692 0.255 8.329 1.00 0.00 C ATOM 1300 CG PRO A 95 -2.927 1.001 9.597 1.00 0.00 C ATOM 1301 CD PRO A 95 -2.208 2.313 9.444 1.00 0.00 C ATOM 0 HA PRO A 95 -1.940 1.099 6.431 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.498 -0.452 8.130 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -1.767 -0.320 8.374 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.992 1.157 9.766 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.546 0.445 10.454 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.726 3.118 9.965 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.198 2.268 9.851 1.00 0.00 H new ATOM 1309 N ALA A 96 -4.231 0.749 5.531 1.00 0.00 N ATOM 1310 CA ALA A 96 -5.497 0.824 4.812 1.00 0.00 C ATOM 1311 C ALA A 96 -6.052 -0.568 4.531 1.00 0.00 C ATOM 1312 O ALA A 96 -5.349 -1.432 4.006 1.00 0.00 O ATOM 1313 CB ALA A 96 -5.320 1.596 3.512 1.00 0.00 C ATOM 0 H ALA A 96 -3.571 0.068 5.155 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.214 1.352 5.441 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.273 1.644 2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.976 2.606 3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.585 1.091 2.886 1.00 0.00 H new ATOM 1319 N ARG A 97 -7.316 -0.778 4.884 1.00 0.00 N ATOM 1320 CA ARG A 97 -7.964 -2.067 4.671 1.00 0.00 C ATOM 1321 C ARG A 97 -8.663 -2.107 3.316 1.00 0.00 C ATOM 1322 O ARG A 97 -9.418 -1.199 2.968 1.00 0.00 O ATOM 1323 CB ARG A 97 -8.974 -2.343 5.786 1.00 0.00 C ATOM 1324 CG ARG A 97 -8.389 -3.107 6.963 1.00 0.00 C ATOM 1325 CD ARG A 97 -7.054 -2.522 7.398 1.00 0.00 C ATOM 1326 NE ARG A 97 -6.501 -3.221 8.555 1.00 0.00 N ATOM 1327 CZ ARG A 97 -5.650 -2.666 9.411 1.00 0.00 C ATOM 1328 NH1 ARG A 97 -5.256 -1.412 9.240 1.00 0.00 N ATOM 1329 NH2 ARG A 97 -5.191 -3.367 10.440 1.00 0.00 N ATOM 0 H ARG A 97 -7.911 -0.073 5.318 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.195 -2.839 4.686 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -9.376 -1.395 6.143 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -9.810 -2.909 5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -9.088 -3.082 7.799 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.257 -4.154 6.689 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.347 -2.576 6.570 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -7.182 -1.467 7.639 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.784 -4.188 8.715 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -5.606 -0.871 8.450 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -4.603 -0.988 9.899 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.492 -4.332 10.574 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.538 -2.940 11.097 1.00 0.00 H new ATOM 1343 N VAL A 98 -8.406 -3.165 2.554 1.00 0.00 N ATOM 1344 CA VAL A 98 -9.010 -3.324 1.237 1.00 0.00 C ATOM 1345 C VAL A 98 -9.560 -4.734 1.051 1.00 0.00 C ATOM 1346 O VAL A 98 -8.846 -5.720 1.232 1.00 0.00 O ATOM 1347 CB VAL A 98 -7.997 -3.028 0.115 1.00 0.00 C ATOM 1348 CG1 VAL A 98 -8.628 -3.260 -1.250 1.00 0.00 C ATOM 1349 CG2 VAL A 98 -7.471 -1.605 0.234 1.00 0.00 C ATOM 0 H VAL A 98 -7.783 -3.925 2.827 1.00 0.00 H new ATOM 0 HA VAL A 98 -9.828 -2.607 1.176 1.00 0.00 H new ATOM 0 HB VAL A 98 -7.155 -3.712 0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.897 -3.046 -2.030 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.950 -4.298 -1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.489 -2.602 -1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.757 -1.413 -0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.301 -0.903 0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.978 -1.479 1.198 1.00 0.00 H new ATOM 1359 N LYS A 99 -10.835 -4.822 0.687 1.00 0.00 N ATOM 1360 CA LYS A 99 -11.483 -6.111 0.474 1.00 0.00 C ATOM 1361 C LYS A 99 -11.117 -6.685 -0.890 1.00 0.00 C ATOM 1362 O LYS A 99 -11.326 -6.045 -1.921 1.00 0.00 O ATOM 1363 CB LYS A 99 -13.002 -5.966 0.587 1.00 0.00 C ATOM 1364 CG LYS A 99 -13.760 -7.246 0.279 1.00 0.00 C ATOM 1365 CD LYS A 99 -15.263 -7.029 0.325 1.00 0.00 C ATOM 1366 CE LYS A 99 -16.019 -8.266 -0.134 1.00 0.00 C ATOM 1367 NZ LYS A 99 -15.769 -8.568 -1.571 1.00 0.00 N ATOM 0 H LYS A 99 -11.440 -4.016 0.533 1.00 0.00 H new ATOM 0 HA LYS A 99 -11.131 -6.798 1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.253 -5.639 1.596 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.336 -5.183 -0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.474 -7.611 -0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.481 -8.017 0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -15.564 -6.774 1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -15.529 -6.183 -0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -15.721 -9.120 0.474 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -17.087 -8.119 0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -16.631 -8.378 -2.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.996 -7.968 -1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.505 -9.569 -1.675 1.00 0.00 H new ATOM 1381 N VAL A 100 -10.570 -7.897 -0.890 1.00 0.00 N ATOM 1382 CA VAL A 100 -10.177 -8.558 -2.129 1.00 0.00 C ATOM 1383 C VAL A 100 -11.136 -9.693 -2.474 1.00 0.00 C ATOM 1384 O VAL A 100 -11.506 -10.489 -1.612 1.00 0.00 O ATOM 1385 CB VAL A 100 -8.746 -9.121 -2.035 1.00 0.00 C ATOM 1386 CG1 VAL A 100 -8.389 -9.887 -3.300 1.00 0.00 C ATOM 1387 CG2 VAL A 100 -7.749 -8.000 -1.782 1.00 0.00 C ATOM 0 H VAL A 100 -10.389 -8.441 -0.046 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.212 -7.804 -2.915 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.701 -9.814 -1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.375 -10.277 -3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.086 -10.714 -3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.450 -9.219 -4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.743 -8.415 -1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.794 -7.282 -2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -7.995 -7.499 -0.846 1.00 0.00 H new ATOM 1397 N GLU A 101 -11.532 -9.760 -3.741 1.00 0.00 N ATOM 1398 CA GLU A 101 -12.449 -10.798 -4.199 1.00 0.00 C ATOM 1399 C GLU A 101 -11.685 -11.956 -4.833 1.00 0.00 C ATOM 1400 O GLU A 101 -10.556 -11.806 -5.303 1.00 0.00 O ATOM 1401 CB GLU A 101 -13.447 -10.220 -5.205 1.00 0.00 C ATOM 1402 CG GLU A 101 -14.676 -9.604 -4.557 1.00 0.00 C ATOM 1403 CD GLU A 101 -15.672 -10.647 -4.088 1.00 0.00 C ATOM 1404 OE1 GLU A 101 -16.459 -11.135 -4.925 1.00 0.00 O ATOM 1405 OE2 GLU A 101 -15.664 -10.975 -2.883 1.00 0.00 O ATOM 0 H GLU A 101 -11.233 -9.109 -4.468 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.994 -11.175 -3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.946 -9.462 -5.807 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.763 -11.010 -5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.367 -8.994 -3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -15.162 -8.937 -5.269 1.00 0.00 H new ATOM 1412 N PRO A 102 -12.313 -13.141 -4.848 1.00 0.00 N ATOM 1413 CA PRO A 102 -11.712 -14.349 -5.421 1.00 0.00 C ATOM 1414 C PRO A 102 -11.603 -14.277 -6.941 1.00 0.00 C ATOM 1415 O PRO A 102 -12.424 -13.643 -7.602 1.00 0.00 O ATOM 1416 CB PRO A 102 -12.681 -15.459 -5.007 1.00 0.00 C ATOM 1417 CG PRO A 102 -13.988 -14.769 -4.816 1.00 0.00 C ATOM 1418 CD PRO A 102 -13.659 -13.393 -4.307 1.00 0.00 C ATOM 0 HA PRO A 102 -10.692 -14.502 -5.069 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -12.749 -16.231 -5.773 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -12.354 -15.948 -4.090 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -14.542 -14.716 -5.753 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -14.614 -15.309 -4.105 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -14.378 -12.653 -4.658 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -13.668 -13.355 -3.218 1.00 0.00 H new ATOM 1426 N ALA A 103 -10.585 -14.933 -7.488 1.00 0.00 N ATOM 1427 CA ALA A 103 -10.370 -14.945 -8.930 1.00 0.00 C ATOM 1428 C ALA A 103 -10.712 -16.307 -9.524 1.00 0.00 C ATOM 1429 O ALA A 103 -10.016 -16.801 -10.412 1.00 0.00 O ATOM 1430 CB ALA A 103 -8.931 -14.572 -9.253 1.00 0.00 C ATOM 0 H ALA A 103 -9.896 -15.463 -6.954 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.034 -14.205 -9.378 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.785 -14.585 -10.333 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.719 -13.574 -8.870 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.256 -15.290 -8.787 1.00 0.00 H new