USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 426 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 MET CE :methyl -156:sc= -0.149 (180deg=-0.634) USER MOD Set 1.2: A 110 THR OG1 : rot 44:sc= 0.745 USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 51 MET CE :methyl -157:sc= -2.31! (180deg=-3.51!) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.0696 F(o=-1.6!,f=-0.07) USER MOD Single : A 60 ASN : amide:sc= -0.0208 K(o=-0.021,f=-0.86) USER MOD Single : A 62 THR OG1 : rot 120:sc= -0.671 USER MOD Single : A 70 THR OG1 : rot 72:sc= 1.2 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -173:sc= 0 (180deg=-0.0878) USER MOD Single : A 94 LYS NZ :NH3+ -167:sc= -0.0172 (180deg=-0.172) USER MOD Single : A 97 ASN : amide:sc= -0.762 K(o=-0.76,f=-1.8) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 116:sc= -0.0317 USER MOD Single : A 107 HIS :FLIP no HD1:sc= -0.67 F(o=-1.3,f=-0.67) USER MOD Single : A 111 ASN : amide:sc= -1.03 K(o=-1,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 48 14.403 -0.731 -2.369 1.00 0.00 N ATOM 29 CA LEU A 48 13.184 -0.031 -2.746 1.00 0.00 C ATOM 30 C LEU A 48 12.835 1.088 -1.763 1.00 0.00 C ATOM 31 O LEU A 48 11.782 1.718 -1.879 1.00 0.00 O ATOM 32 CB LEU A 48 12.024 -1.022 -2.869 1.00 0.00 C ATOM 33 CG LEU A 48 10.806 -0.478 -3.609 1.00 0.00 C ATOM 34 CD1 LEU A 48 11.208 0.047 -4.977 1.00 0.00 C ATOM 35 CD2 LEU A 48 9.752 -1.552 -3.750 1.00 0.00 C ATOM 0 HA LEU A 48 13.359 0.437 -3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.378 -1.915 -3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.719 -1.331 -1.869 1.00 0.00 H new ATOM 0 HG LEU A 48 10.389 0.345 -3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.328 0.432 -5.492 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.938 0.848 -4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.647 -0.761 -5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.889 -1.148 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.162 -2.392 -4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.444 -1.891 -2.761 1.00 0.00 H new ATOM 47 N GLN A 49 13.705 1.308 -0.782 1.00 0.00 N ATOM 48 CA GLN A 49 13.481 2.331 0.240 1.00 0.00 C ATOM 49 C GLN A 49 13.179 3.705 -0.374 1.00 0.00 C ATOM 50 O GLN A 49 12.440 4.495 0.205 1.00 0.00 O ATOM 51 CB GLN A 49 14.689 2.436 1.171 1.00 0.00 C ATOM 52 CG GLN A 49 14.475 3.403 2.323 1.00 0.00 C ATOM 53 CD GLN A 49 15.661 3.482 3.260 1.00 0.00 C ATOM 54 OE1 GLN A 49 16.858 3.313 2.727 1.00 0.00 O flip ATOM 55 NE2 GLN A 49 15.500 3.709 4.457 1.00 0.00 N flip ATOM 0 H GLN A 49 14.577 0.790 -0.671 1.00 0.00 H new ATOM 0 HA GLN A 49 12.607 2.021 0.813 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.917 1.448 1.572 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.557 2.755 0.594 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.269 4.396 1.923 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.594 3.098 2.887 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.559 3.834 4.830 1.00 0.00 H new ATOM 0 HE22 GLN A 49 16.307 3.773 5.077 1.00 0.00 H new ATOM 64 N ASP A 50 13.724 3.975 -1.556 1.00 0.00 N ATOM 65 CA ASP A 50 13.488 5.256 -2.222 1.00 0.00 C ATOM 66 C ASP A 50 12.010 5.408 -2.577 1.00 0.00 C ATOM 67 O ASP A 50 11.397 6.458 -2.344 1.00 0.00 O ATOM 68 CB ASP A 50 14.346 5.379 -3.481 1.00 0.00 C ATOM 69 CG ASP A 50 14.066 6.658 -4.245 1.00 0.00 C ATOM 70 OD1 ASP A 50 14.615 7.714 -3.869 1.00 0.00 O ATOM 71 OD2 ASP A 50 13.300 6.615 -5.229 1.00 0.00 O ATOM 0 H ASP A 50 14.327 3.332 -2.070 1.00 0.00 H new ATOM 0 HA ASP A 50 13.769 6.053 -1.534 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.400 5.347 -3.204 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.160 4.523 -4.130 1.00 0.00 H new ATOM 76 N MET A 51 11.433 4.344 -3.122 1.00 0.00 N ATOM 77 CA MET A 51 10.013 4.327 -3.436 1.00 0.00 C ATOM 78 C MET A 51 9.207 4.472 -2.149 1.00 0.00 C ATOM 79 O MET A 51 8.158 5.111 -2.127 1.00 0.00 O ATOM 80 CB MET A 51 9.638 3.024 -4.150 1.00 0.00 C ATOM 81 CG MET A 51 8.201 2.975 -4.661 1.00 0.00 C ATOM 82 SD MET A 51 8.017 3.626 -6.336 1.00 0.00 S ATOM 83 CE MET A 51 8.487 5.341 -6.115 1.00 0.00 C ATOM 0 H MET A 51 11.928 3.483 -3.355 1.00 0.00 H new ATOM 0 HA MET A 51 9.785 5.160 -4.101 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.315 2.878 -4.992 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.796 2.191 -3.465 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.850 1.943 -4.639 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.563 3.544 -3.985 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.050 5.944 -6.911 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.124 5.696 -5.151 1.00 0.00 H new ATOM 0 HE3 MET A 51 9.573 5.428 -6.148 1.00 0.00 H new ATOM 93 N ILE A 52 9.736 3.899 -1.071 1.00 0.00 N ATOM 94 CA ILE A 52 9.103 3.983 0.241 1.00 0.00 C ATOM 95 C ILE A 52 9.077 5.432 0.710 1.00 0.00 C ATOM 96 O ILE A 52 8.120 5.884 1.334 1.00 0.00 O ATOM 97 CB ILE A 52 9.843 3.120 1.293 1.00 0.00 C ATOM 98 CG1 ILE A 52 9.840 1.645 0.881 1.00 0.00 C ATOM 99 CG2 ILE A 52 9.216 3.287 2.673 1.00 0.00 C ATOM 100 CD1 ILE A 52 10.563 0.740 1.855 1.00 0.00 C ATOM 0 H ILE A 52 10.607 3.368 -1.082 1.00 0.00 H new ATOM 0 HA ILE A 52 8.087 3.601 0.141 1.00 0.00 H new ATOM 0 HB ILE A 52 10.876 3.464 1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.809 1.307 0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.303 1.550 -0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.753 2.671 3.394 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.274 4.333 2.975 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.172 2.977 2.638 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.519 -0.289 1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 52 11.604 1.052 1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.087 0.804 2.833 1.00 0.00 H new ATOM 112 N ASN A 53 10.119 6.163 0.350 1.00 0.00 N ATOM 113 CA ASN A 53 10.258 7.548 0.767 1.00 0.00 C ATOM 114 C ASN A 53 9.340 8.450 -0.044 1.00 0.00 C ATOM 115 O ASN A 53 8.987 9.541 0.398 1.00 0.00 O ATOM 116 CB ASN A 53 11.708 8.022 0.650 1.00 0.00 C ATOM 117 CG ASN A 53 12.627 7.364 1.665 1.00 0.00 C ATOM 118 OD1 ASN A 53 12.084 6.996 2.818 1.00 0.00 O flip ATOM 119 ND2 ASN A 53 13.819 7.196 1.418 1.00 0.00 N flip ATOM 0 H ASN A 53 10.883 5.819 -0.232 1.00 0.00 H new ATOM 0 HA ASN A 53 9.967 7.607 1.816 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.074 7.811 -0.355 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.744 9.103 0.782 1.00 0.00 H new ATOM 0 HD21 ASN A 53 14.200 7.492 0.520 1.00 0.00 H new ATOM 0 HD22 ASN A 53 14.427 6.760 2.111 1.00 0.00 H new ATOM 126 N GLU A 54 8.944 7.992 -1.231 1.00 0.00 N ATOM 127 CA GLU A 54 7.982 8.738 -2.033 1.00 0.00 C ATOM 128 C GLU A 54 6.560 8.450 -1.556 1.00 0.00 C ATOM 129 O GLU A 54 5.699 9.330 -1.575 1.00 0.00 O ATOM 130 CB GLU A 54 8.108 8.388 -3.519 1.00 0.00 C ATOM 131 CG GLU A 54 7.147 9.172 -4.399 1.00 0.00 C ATOM 132 CD GLU A 54 7.225 8.791 -5.862 1.00 0.00 C ATOM 133 OE1 GLU A 54 6.527 7.842 -6.273 1.00 0.00 O ATOM 134 OE2 GLU A 54 7.963 9.457 -6.616 1.00 0.00 O ATOM 0 H GLU A 54 9.270 7.122 -1.651 1.00 0.00 H new ATOM 0 HA GLU A 54 8.198 9.799 -1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.130 8.580 -3.846 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.926 7.322 -3.652 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.129 9.013 -4.044 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.358 10.236 -4.297 1.00 0.00 H new ATOM 141 N VAL A 55 6.325 7.220 -1.116 1.00 0.00 N ATOM 142 CA VAL A 55 5.009 6.821 -0.631 1.00 0.00 C ATOM 143 C VAL A 55 4.775 7.364 0.777 1.00 0.00 C ATOM 144 O VAL A 55 3.645 7.666 1.162 1.00 0.00 O ATOM 145 CB VAL A 55 4.867 5.281 -0.635 1.00 0.00 C ATOM 146 CG1 VAL A 55 3.536 4.843 -0.043 1.00 0.00 C ATOM 147 CG2 VAL A 55 5.022 4.736 -2.046 1.00 0.00 C ATOM 0 H VAL A 55 7.028 6.482 -1.085 1.00 0.00 H new ATOM 0 HA VAL A 55 4.258 7.240 -1.301 1.00 0.00 H new ATOM 0 HB VAL A 55 5.661 4.874 -0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.470 3.755 -0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.463 5.193 0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.720 5.266 -0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.919 3.651 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.252 5.164 -2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.006 5.002 -2.433 1.00 0.00 H new ATOM 157 N ASP A 56 5.859 7.495 1.533 1.00 0.00 N ATOM 158 CA ASP A 56 5.813 8.147 2.836 1.00 0.00 C ATOM 159 C ASP A 56 5.323 9.580 2.674 1.00 0.00 C ATOM 160 O ASP A 56 6.026 10.434 2.131 1.00 0.00 O ATOM 161 CB ASP A 56 7.195 8.123 3.490 1.00 0.00 C ATOM 162 CG ASP A 56 7.151 8.554 4.938 1.00 0.00 C ATOM 163 OD1 ASP A 56 6.788 7.722 5.795 1.00 0.00 O ATOM 164 OD2 ASP A 56 7.474 9.724 5.226 1.00 0.00 O ATOM 0 H ASP A 56 6.783 7.157 1.265 1.00 0.00 H new ATOM 0 HA ASP A 56 5.120 7.608 3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.608 7.116 3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.867 8.780 2.938 1.00 0.00 H new ATOM 169 N ALA A 57 4.115 9.835 3.143 1.00 0.00 N ATOM 170 CA ALA A 57 3.454 11.112 2.892 1.00 0.00 C ATOM 171 C ALA A 57 3.630 12.082 4.054 1.00 0.00 C ATOM 172 O ALA A 57 3.909 13.263 3.855 1.00 0.00 O ATOM 173 CB ALA A 57 1.977 10.890 2.606 1.00 0.00 C ATOM 0 H ALA A 57 3.568 9.178 3.700 1.00 0.00 H new ATOM 0 HA ALA A 57 3.926 11.562 2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.494 11.849 2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.868 10.253 1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.509 10.408 3.464 1.00 0.00 H new ATOM 179 N ASP A 58 3.468 11.576 5.266 1.00 0.00 N ATOM 180 CA ASP A 58 3.546 12.416 6.462 1.00 0.00 C ATOM 181 C ASP A 58 4.575 11.868 7.438 1.00 0.00 C ATOM 182 O ASP A 58 4.851 12.477 8.470 1.00 0.00 O ATOM 183 CB ASP A 58 2.185 12.551 7.148 1.00 0.00 C ATOM 184 CG ASP A 58 1.582 11.217 7.502 1.00 0.00 C ATOM 185 OD1 ASP A 58 0.997 10.576 6.618 1.00 0.00 O ATOM 186 OD2 ASP A 58 1.676 10.783 8.656 1.00 0.00 O ATOM 0 H ASP A 58 3.282 10.591 5.453 1.00 0.00 H new ATOM 0 HA ASP A 58 3.858 13.410 6.141 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.296 13.148 8.053 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.503 13.092 6.492 1.00 0.00 H new ATOM 191 N GLY A 59 5.133 10.713 7.112 1.00 0.00 N ATOM 192 CA GLY A 59 6.031 10.050 8.030 1.00 0.00 C ATOM 193 C GLY A 59 5.356 8.872 8.694 1.00 0.00 C ATOM 194 O GLY A 59 4.922 8.941 9.842 1.00 0.00 O ATOM 0 H GLY A 59 4.980 10.224 6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.918 9.711 7.495 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.367 10.756 8.789 1.00 0.00 H new ATOM 198 N ASN A 60 5.264 7.792 7.935 1.00 0.00 N ATOM 199 CA ASN A 60 4.618 6.567 8.405 1.00 0.00 C ATOM 200 C ASN A 60 5.572 5.385 8.277 1.00 0.00 C ATOM 201 O ASN A 60 5.506 4.421 9.043 1.00 0.00 O ATOM 202 CB ASN A 60 3.375 6.252 7.556 1.00 0.00 C ATOM 203 CG ASN A 60 2.108 6.988 7.951 1.00 0.00 C ATOM 204 OD1 ASN A 60 1.943 8.174 7.663 1.00 0.00 O ATOM 205 ND2 ASN A 60 1.164 6.271 8.543 1.00 0.00 N ATOM 0 H ASN A 60 5.629 7.734 6.984 1.00 0.00 H new ATOM 0 HA ASN A 60 4.336 6.722 9.446 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.600 6.485 6.515 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.183 5.180 7.609 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.268 6.699 8.774 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.334 5.291 8.768 1.00 0.00 H new ATOM 212 N GLY A 61 6.466 5.480 7.294 1.00 0.00 N ATOM 213 CA GLY A 61 7.353 4.373 6.983 1.00 0.00 C ATOM 214 C GLY A 61 6.610 3.369 6.118 1.00 0.00 C ATOM 215 O GLY A 61 7.152 2.353 5.680 1.00 0.00 O ATOM 0 H GLY A 61 6.591 6.305 6.708 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.239 4.736 6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.696 3.897 7.901 1.00 0.00 H new ATOM 219 N THR A 62 5.342 3.695 5.901 1.00 0.00 N ATOM 220 CA THR A 62 4.404 2.872 5.170 1.00 0.00 C ATOM 221 C THR A 62 3.255 3.751 4.682 1.00 0.00 C ATOM 222 O THR A 62 3.231 4.949 4.954 1.00 0.00 O ATOM 223 CB THR A 62 3.850 1.749 6.084 1.00 0.00 C ATOM 224 OG1 THR A 62 3.000 0.863 5.344 1.00 0.00 O ATOM 225 CG2 THR A 62 3.072 2.336 7.255 1.00 0.00 C ATOM 0 H THR A 62 4.932 4.565 6.241 1.00 0.00 H new ATOM 0 HA THR A 62 4.909 2.412 4.321 1.00 0.00 H new ATOM 0 HB THR A 62 4.702 1.188 6.469 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.366 -0.045 5.377 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.693 1.528 7.882 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.729 2.975 7.845 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.236 2.925 6.878 1.00 0.00 H new ATOM 233 N ILE A 63 2.329 3.170 3.946 1.00 0.00 N ATOM 234 CA ILE A 63 1.078 3.832 3.647 1.00 0.00 C ATOM 235 C ILE A 63 0.032 3.362 4.652 1.00 0.00 C ATOM 236 O ILE A 63 0.077 2.211 5.105 1.00 0.00 O ATOM 237 CB ILE A 63 0.607 3.550 2.193 1.00 0.00 C ATOM 238 CG1 ILE A 63 0.274 4.856 1.472 1.00 0.00 C ATOM 239 CG2 ILE A 63 -0.599 2.620 2.166 1.00 0.00 C ATOM 240 CD1 ILE A 63 -0.078 4.665 0.011 1.00 0.00 C ATOM 0 H ILE A 63 2.421 2.237 3.543 1.00 0.00 H new ATOM 0 HA ILE A 63 1.219 4.910 3.726 1.00 0.00 H new ATOM 0 HB ILE A 63 1.428 3.056 1.674 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.561 5.339 1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.126 5.531 1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.901 2.445 1.133 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.337 1.671 2.633 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.424 3.078 2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.303 5.632 -0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.765 4.210 -0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.949 4.015 -0.071 1.00 0.00 H new ATOM 252 N ASP A 64 -0.885 4.240 5.018 1.00 0.00 N ATOM 253 CA ASP A 64 -1.946 3.887 5.946 1.00 0.00 C ATOM 254 C ASP A 64 -3.243 3.872 5.149 1.00 0.00 C ATOM 255 O ASP A 64 -3.221 4.218 3.966 1.00 0.00 O ATOM 256 CB ASP A 64 -2.020 4.891 7.101 1.00 0.00 C ATOM 257 CG ASP A 64 -2.783 4.349 8.296 1.00 0.00 C ATOM 258 OD1 ASP A 64 -4.029 4.438 8.307 1.00 0.00 O ATOM 259 OD2 ASP A 64 -2.140 3.842 9.235 1.00 0.00 O ATOM 0 H ASP A 64 -0.917 5.204 4.686 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.759 2.911 6.394 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.010 5.159 7.410 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.500 5.806 6.753 1.00 0.00 H new ATOM 264 N PHE A 65 -4.360 3.495 5.758 1.00 0.00 N ATOM 265 CA PHE A 65 -5.624 3.372 5.027 1.00 0.00 C ATOM 266 C PHE A 65 -6.017 4.667 4.297 1.00 0.00 C ATOM 267 O PHE A 65 -6.198 4.645 3.078 1.00 0.00 O ATOM 268 CB PHE A 65 -6.750 2.904 5.954 1.00 0.00 C ATOM 269 CG PHE A 65 -6.609 1.467 6.378 1.00 0.00 C ATOM 270 CD1 PHE A 65 -7.146 0.454 5.602 1.00 0.00 C ATOM 271 CD2 PHE A 65 -5.935 1.130 7.541 1.00 0.00 C ATOM 272 CE1 PHE A 65 -7.013 -0.869 5.973 1.00 0.00 C ATOM 273 CE2 PHE A 65 -5.801 -0.194 7.920 1.00 0.00 C ATOM 274 CZ PHE A 65 -6.340 -1.194 7.136 1.00 0.00 C ATOM 0 H PHE A 65 -4.421 3.269 6.751 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.468 2.615 4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.769 3.538 6.841 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.707 3.035 5.448 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.676 0.702 4.694 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.510 1.908 8.158 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.434 -1.649 5.356 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.275 -0.445 8.829 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.236 -2.228 7.430 1.00 0.00 H new ATOM 284 N PRO A 66 -6.145 5.812 5.002 1.00 0.00 N ATOM 285 CA PRO A 66 -6.506 7.080 4.357 1.00 0.00 C ATOM 286 C PRO A 66 -5.481 7.500 3.307 1.00 0.00 C ATOM 287 O PRO A 66 -5.828 8.076 2.274 1.00 0.00 O ATOM 288 CB PRO A 66 -6.532 8.090 5.511 1.00 0.00 C ATOM 289 CG PRO A 66 -5.749 7.451 6.608 1.00 0.00 C ATOM 290 CD PRO A 66 -5.968 5.976 6.458 1.00 0.00 C ATOM 0 HA PRO A 66 -7.455 7.006 3.826 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -6.089 9.040 5.213 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.554 8.300 5.827 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.691 7.699 6.529 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.087 7.799 7.584 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.118 5.402 6.828 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.845 5.640 7.011 1.00 0.00 H new ATOM 298 N GLU A 67 -4.219 7.191 3.568 1.00 0.00 N ATOM 299 CA GLU A 67 -3.147 7.566 2.663 1.00 0.00 C ATOM 300 C GLU A 67 -3.163 6.722 1.389 1.00 0.00 C ATOM 301 O GLU A 67 -2.997 7.253 0.292 1.00 0.00 O ATOM 302 CB GLU A 67 -1.811 7.466 3.387 1.00 0.00 C ATOM 303 CG GLU A 67 -1.704 8.480 4.510 1.00 0.00 C ATOM 304 CD GLU A 67 -0.501 8.280 5.398 1.00 0.00 C ATOM 305 OE1 GLU A 67 0.631 8.477 4.921 1.00 0.00 O ATOM 306 OE2 GLU A 67 -0.656 7.855 6.544 1.00 0.00 O ATOM 0 H GLU A 67 -3.915 6.682 4.398 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.299 8.599 2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.691 6.461 3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.999 7.623 2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.665 9.481 4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.606 8.430 5.119 1.00 0.00 H new ATOM 313 N PHE A 68 -3.368 5.415 1.533 1.00 0.00 N ATOM 314 CA PHE A 68 -3.501 4.538 0.370 1.00 0.00 C ATOM 315 C PHE A 68 -4.677 4.972 -0.481 1.00 0.00 C ATOM 316 O PHE A 68 -4.586 5.013 -1.705 1.00 0.00 O ATOM 317 CB PHE A 68 -3.679 3.076 0.785 1.00 0.00 C ATOM 318 CG PHE A 68 -3.613 2.116 -0.377 1.00 0.00 C ATOM 319 CD1 PHE A 68 -2.404 1.822 -0.987 1.00 0.00 C ATOM 320 CD2 PHE A 68 -4.766 1.506 -0.855 1.00 0.00 C ATOM 321 CE1 PHE A 68 -2.347 0.940 -2.052 1.00 0.00 C ATOM 322 CE2 PHE A 68 -4.714 0.624 -1.919 1.00 0.00 C ATOM 323 CZ PHE A 68 -3.482 0.348 -2.522 1.00 0.00 C ATOM 0 H PHE A 68 -3.445 4.942 2.434 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.581 4.618 -0.209 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.907 2.814 1.509 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.639 2.962 1.288 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.497 2.286 -0.628 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.716 1.724 -0.389 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.396 0.719 -2.514 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.616 0.153 -2.281 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.430 -0.333 -3.359 1.00 0.00 H new ATOM 333 N LEU A 69 -5.772 5.314 0.181 1.00 0.00 N ATOM 334 CA LEU A 69 -6.965 5.770 -0.510 1.00 0.00 C ATOM 335 C LEU A 69 -6.708 7.064 -1.259 1.00 0.00 C ATOM 336 O LEU A 69 -7.265 7.288 -2.335 1.00 0.00 O ATOM 337 CB LEU A 69 -8.125 5.949 0.469 1.00 0.00 C ATOM 338 CG LEU A 69 -8.984 4.708 0.655 1.00 0.00 C ATOM 339 CD1 LEU A 69 -10.156 4.998 1.578 1.00 0.00 C ATOM 340 CD2 LEU A 69 -9.463 4.225 -0.702 1.00 0.00 C ATOM 0 H LEU A 69 -5.858 5.284 1.197 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.236 5.004 -1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.725 6.248 1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.757 6.765 0.120 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.389 3.923 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.757 4.097 1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.783 5.316 2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.770 5.790 1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.080 3.335 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.051 5.008 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.603 3.984 -1.327 1.00 0.00 H new ATOM 352 N THR A 70 -5.846 7.900 -0.707 1.00 0.00 N ATOM 353 CA THR A 70 -5.549 9.177 -1.320 1.00 0.00 C ATOM 354 C THR A 70 -4.537 9.021 -2.458 1.00 0.00 C ATOM 355 O THR A 70 -4.674 9.643 -3.502 1.00 0.00 O ATOM 356 CB THR A 70 -5.027 10.185 -0.277 1.00 0.00 C ATOM 357 OG1 THR A 70 -6.012 10.366 0.749 1.00 0.00 O ATOM 358 CG2 THR A 70 -4.704 11.528 -0.917 1.00 0.00 C ATOM 0 H THR A 70 -5.343 7.716 0.161 1.00 0.00 H new ATOM 0 HA THR A 70 -6.479 9.564 -1.737 1.00 0.00 H new ATOM 0 HB THR A 70 -4.109 9.785 0.153 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.059 9.559 1.304 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.339 12.216 -0.155 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.938 11.392 -1.681 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.604 11.939 -1.375 1.00 0.00 H new ATOM 366 N MET A 71 -3.520 8.194 -2.246 1.00 0.00 N ATOM 367 CA MET A 71 -2.550 7.877 -3.296 1.00 0.00 C ATOM 368 C MET A 71 -3.214 7.111 -4.435 1.00 0.00 C ATOM 369 O MET A 71 -2.780 7.186 -5.584 1.00 0.00 O ATOM 370 CB MET A 71 -1.378 7.067 -2.735 1.00 0.00 C ATOM 371 CG MET A 71 -0.459 7.863 -1.816 1.00 0.00 C ATOM 372 SD MET A 71 0.396 9.200 -2.676 1.00 0.00 S ATOM 373 CE MET A 71 1.405 9.855 -1.348 1.00 0.00 C ATOM 0 H MET A 71 -3.343 7.728 -1.356 1.00 0.00 H new ATOM 0 HA MET A 71 -2.165 8.820 -3.685 1.00 0.00 H new ATOM 0 HB2 MET A 71 -1.771 6.211 -2.187 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.792 6.672 -3.565 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.044 8.279 -0.996 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.277 7.191 -1.374 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.997 10.692 -1.719 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.762 10.197 -0.537 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.071 9.075 -0.979 1.00 0.00 H new ATOM 383 N MET A 72 -4.252 6.354 -4.107 1.00 0.00 N ATOM 384 CA MET A 72 -5.076 5.723 -5.128 1.00 0.00 C ATOM 385 C MET A 72 -5.808 6.798 -5.920 1.00 0.00 C ATOM 386 O MET A 72 -5.519 7.025 -7.101 1.00 0.00 O ATOM 387 CB MET A 72 -6.095 4.773 -4.487 1.00 0.00 C ATOM 388 CG MET A 72 -7.065 4.153 -5.482 1.00 0.00 C ATOM 389 SD MET A 72 -8.500 3.400 -4.683 1.00 0.00 S ATOM 390 CE MET A 72 -7.719 2.117 -3.706 1.00 0.00 C ATOM 0 H MET A 72 -4.542 6.163 -3.148 1.00 0.00 H new ATOM 0 HA MET A 72 -4.433 5.146 -5.793 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.560 3.976 -3.970 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.662 5.318 -3.732 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.403 4.920 -6.179 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.543 3.397 -6.069 1.00 0.00 H new ATOM 0 HE1 MET A 72 -8.485 1.487 -3.253 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.081 1.509 -4.347 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.115 2.574 -2.922 1.00 0.00 H new ATOM 400 N ALA A 73 -6.746 7.465 -5.243 1.00 0.00 N ATOM 401 CA ALA A 73 -7.522 8.565 -5.812 1.00 0.00 C ATOM 402 C ALA A 73 -6.654 9.679 -6.374 1.00 0.00 C ATOM 403 O ALA A 73 -7.164 10.563 -7.068 1.00 0.00 O ATOM 404 CB ALA A 73 -8.466 9.125 -4.766 1.00 0.00 C ATOM 0 H ALA A 73 -6.989 7.253 -4.275 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.087 8.153 -6.648 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.041 9.945 -5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.145 8.341 -4.432 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.891 9.493 -3.916 1.00 0.00 H new ATOM 410 N ARG A 74 -5.366 9.661 -6.034 1.00 0.00 N ATOM 411 CA ARG A 74 -4.419 10.629 -6.558 1.00 0.00 C ATOM 412 C ARG A 74 -4.607 10.767 -8.064 1.00 0.00 C ATOM 413 O ARG A 74 -4.653 11.873 -8.601 1.00 0.00 O ATOM 414 CB ARG A 74 -2.976 10.217 -6.242 1.00 0.00 C ATOM 415 CG ARG A 74 -1.919 11.226 -6.683 1.00 0.00 C ATOM 416 CD ARG A 74 -2.017 12.539 -5.914 1.00 0.00 C ATOM 417 NE ARG A 74 -3.232 13.291 -6.240 1.00 0.00 N ATOM 418 CZ ARG A 74 -3.978 13.934 -5.343 1.00 0.00 C ATOM 419 NH1 ARG A 74 -3.596 14.002 -4.073 1.00 0.00 N ATOM 420 NH2 ARG A 74 -5.095 14.537 -5.731 1.00 0.00 N ATOM 0 H ARG A 74 -4.958 8.980 -5.394 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.607 11.590 -6.079 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.884 10.059 -5.167 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.771 9.261 -6.723 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.928 10.796 -6.540 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.030 11.423 -7.749 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.998 12.332 -4.844 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.144 13.152 -6.136 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.525 13.324 -7.216 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.725 13.560 -3.778 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.173 14.496 -3.393 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.377 14.506 -6.711 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.671 15.031 -5.049 1.00 0.00 H new ATOM 544 N GLU A 82 -14.013 0.186 3.289 1.00 0.00 N ATOM 545 CA GLU A 82 -12.846 -0.124 4.098 1.00 0.00 C ATOM 546 C GLU A 82 -12.472 -1.592 4.012 1.00 0.00 C ATOM 547 O GLU A 82 -11.299 -1.914 3.887 1.00 0.00 O ATOM 548 CB GLU A 82 -13.066 0.262 5.557 1.00 0.00 C ATOM 549 CG GLU A 82 -11.782 0.235 6.367 1.00 0.00 C ATOM 550 CD GLU A 82 -12.022 0.355 7.852 1.00 0.00 C ATOM 551 OE1 GLU A 82 -12.274 1.483 8.329 1.00 0.00 O ATOM 552 OE2 GLU A 82 -11.974 -0.673 8.551 1.00 0.00 O ATOM 0 HA GLU A 82 -12.022 0.465 3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.500 1.261 5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -13.788 -0.420 6.005 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.250 -0.694 6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.136 1.050 6.041 1.00 0.00 H new ATOM 559 N GLU A 83 -13.462 -2.474 4.054 1.00 0.00 N ATOM 560 CA GLU A 83 -13.201 -3.918 4.111 1.00 0.00 C ATOM 561 C GLU A 83 -12.416 -4.393 2.894 1.00 0.00 C ATOM 562 O GLU A 83 -11.462 -5.165 3.025 1.00 0.00 O ATOM 563 CB GLU A 83 -14.504 -4.721 4.226 1.00 0.00 C ATOM 564 CG GLU A 83 -15.358 -4.367 5.436 1.00 0.00 C ATOM 565 CD GLU A 83 -15.968 -2.985 5.339 1.00 0.00 C ATOM 566 OE1 GLU A 83 -16.817 -2.767 4.453 1.00 0.00 O ATOM 567 OE2 GLU A 83 -15.611 -2.114 6.159 1.00 0.00 O ATOM 0 H GLU A 83 -14.451 -2.223 4.050 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.601 -4.092 5.004 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.093 -4.565 3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.260 -5.782 4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -16.154 -5.104 5.541 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.747 -4.427 6.337 1.00 0.00 H new ATOM 574 N GLU A 84 -12.802 -3.917 1.718 1.00 0.00 N ATOM 575 CA GLU A 84 -12.122 -4.296 0.487 1.00 0.00 C ATOM 576 C GLU A 84 -10.712 -3.729 0.488 1.00 0.00 C ATOM 577 O GLU A 84 -9.759 -4.385 0.065 1.00 0.00 O ATOM 578 CB GLU A 84 -12.884 -3.783 -0.740 1.00 0.00 C ATOM 579 CG GLU A 84 -14.365 -4.127 -0.739 1.00 0.00 C ATOM 580 CD GLU A 84 -14.622 -5.610 -0.608 1.00 0.00 C ATOM 581 OE1 GLU A 84 -14.503 -6.327 -1.621 1.00 0.00 O ATOM 582 OE2 GLU A 84 -14.925 -6.067 0.515 1.00 0.00 O ATOM 0 H GLU A 84 -13.580 -3.270 1.590 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.081 -5.384 0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.773 -2.700 -0.796 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.426 -4.197 -1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.854 -3.604 0.083 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.818 -3.765 -1.662 1.00 0.00 H new ATOM 589 N ILE A 85 -10.592 -2.510 0.991 1.00 0.00 N ATOM 590 CA ILE A 85 -9.310 -1.843 1.076 1.00 0.00 C ATOM 591 C ILE A 85 -8.418 -2.568 2.089 1.00 0.00 C ATOM 592 O ILE A 85 -7.213 -2.698 1.897 1.00 0.00 O ATOM 593 CB ILE A 85 -9.472 -0.357 1.472 1.00 0.00 C ATOM 594 CG1 ILE A 85 -10.512 0.322 0.575 1.00 0.00 C ATOM 595 CG2 ILE A 85 -8.141 0.384 1.376 1.00 0.00 C ATOM 596 CD1 ILE A 85 -10.157 0.295 -0.895 1.00 0.00 C ATOM 0 H ILE A 85 -11.375 -1.963 1.348 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.842 -1.874 0.092 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.813 -0.320 2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.476 -0.168 0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.631 1.358 0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.284 1.427 1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.418 -0.079 2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.770 0.334 0.352 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.939 0.794 -1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -9.209 0.810 -1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.067 -0.739 -1.229 1.00 0.00 H new ATOM 608 N ARG A 86 -9.042 -3.070 3.152 1.00 0.00 N ATOM 609 CA ARG A 86 -8.350 -3.840 4.185 1.00 0.00 C ATOM 610 C ARG A 86 -7.757 -5.116 3.601 1.00 0.00 C ATOM 611 O ARG A 86 -6.617 -5.481 3.902 1.00 0.00 O ATOM 612 CB ARG A 86 -9.313 -4.185 5.328 1.00 0.00 C ATOM 613 CG ARG A 86 -9.703 -2.986 6.176 1.00 0.00 C ATOM 614 CD ARG A 86 -10.965 -3.240 6.989 1.00 0.00 C ATOM 615 NE ARG A 86 -10.814 -4.333 7.944 1.00 0.00 N ATOM 616 CZ ARG A 86 -10.925 -4.185 9.265 1.00 0.00 C ATOM 617 NH1 ARG A 86 -11.172 -2.989 9.792 1.00 0.00 N ATOM 618 NH2 ARG A 86 -10.812 -5.237 10.060 1.00 0.00 N ATOM 0 H ARG A 86 -10.041 -2.955 3.322 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.538 -3.228 4.578 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.215 -4.633 4.910 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.851 -4.937 5.967 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.883 -2.738 6.850 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.857 -2.122 5.530 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.235 -2.330 7.525 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.788 -3.467 6.312 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.612 -5.264 7.580 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.278 -2.176 9.185 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.255 -2.885 10.803 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.640 -6.160 9.663 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.897 -5.124 11.070 1.00 0.00 H new ATOM 632 N GLU A 87 -8.526 -5.790 2.752 1.00 0.00 N ATOM 633 CA GLU A 87 -8.049 -7.008 2.122 1.00 0.00 C ATOM 634 C GLU A 87 -6.949 -6.678 1.122 1.00 0.00 C ATOM 635 O GLU A 87 -6.040 -7.478 0.887 1.00 0.00 O ATOM 636 CB GLU A 87 -9.189 -7.770 1.446 1.00 0.00 C ATOM 637 CG GLU A 87 -8.735 -9.067 0.795 1.00 0.00 C ATOM 638 CD GLU A 87 -9.882 -9.965 0.397 1.00 0.00 C ATOM 639 OE1 GLU A 87 -10.546 -9.666 -0.616 1.00 0.00 O ATOM 640 OE2 GLU A 87 -10.146 -10.954 1.109 1.00 0.00 O ATOM 0 H GLU A 87 -9.472 -5.514 2.489 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.639 -7.657 2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.959 -7.991 2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.647 -7.132 0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.141 -8.834 -0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.084 -9.604 1.485 1.00 0.00 H new ATOM 647 N ALA A 88 -7.012 -5.478 0.563 1.00 0.00 N ATOM 648 CA ALA A 88 -5.987 -5.018 -0.350 1.00 0.00 C ATOM 649 C ALA A 88 -4.691 -4.771 0.411 1.00 0.00 C ATOM 650 O ALA A 88 -3.620 -5.140 -0.048 1.00 0.00 O ATOM 651 CB ALA A 88 -6.438 -3.761 -1.078 1.00 0.00 C ATOM 0 H ALA A 88 -7.764 -4.809 0.728 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.810 -5.790 -1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.652 -3.433 -1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.344 -3.974 -1.645 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.641 -2.973 -0.352 1.00 0.00 H new ATOM 657 N PHE A 89 -4.800 -4.156 1.584 1.00 0.00 N ATOM 658 CA PHE A 89 -3.651 -3.972 2.472 1.00 0.00 C ATOM 659 C PHE A 89 -2.968 -5.297 2.779 1.00 0.00 C ATOM 660 O PHE A 89 -1.751 -5.357 2.925 1.00 0.00 O ATOM 661 CB PHE A 89 -4.082 -3.295 3.775 1.00 0.00 C ATOM 662 CG PHE A 89 -4.034 -1.799 3.713 1.00 0.00 C ATOM 663 CD1 PHE A 89 -4.900 -1.092 2.898 1.00 0.00 C ATOM 664 CD2 PHE A 89 -3.107 -1.097 4.466 1.00 0.00 C ATOM 665 CE1 PHE A 89 -4.843 0.285 2.834 1.00 0.00 C ATOM 666 CE2 PHE A 89 -3.046 0.278 4.408 1.00 0.00 C ATOM 667 CZ PHE A 89 -3.914 0.970 3.590 1.00 0.00 C ATOM 0 H PHE A 89 -5.674 -3.774 1.945 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.936 -3.331 1.955 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.097 -3.609 4.020 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.438 -3.638 4.584 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.629 -1.624 2.305 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.424 -1.634 5.107 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.524 0.826 2.194 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.320 0.813 5.002 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.867 2.048 3.541 1.00 0.00 H new ATOM 677 N ARG A 90 -3.758 -6.353 2.887 1.00 0.00 N ATOM 678 CA ARG A 90 -3.215 -7.682 3.126 1.00 0.00 C ATOM 679 C ARG A 90 -2.501 -8.222 1.885 1.00 0.00 C ATOM 680 O ARG A 90 -1.458 -8.865 1.992 1.00 0.00 O ATOM 681 CB ARG A 90 -4.331 -8.640 3.541 1.00 0.00 C ATOM 682 CG ARG A 90 -5.060 -8.214 4.805 1.00 0.00 C ATOM 683 CD ARG A 90 -6.328 -9.025 5.019 1.00 0.00 C ATOM 684 NE ARG A 90 -6.058 -10.453 5.152 1.00 0.00 N ATOM 685 CZ ARG A 90 -6.865 -11.408 4.693 1.00 0.00 C ATOM 686 NH1 ARG A 90 -7.980 -11.082 4.050 1.00 0.00 N ATOM 687 NH2 ARG A 90 -6.557 -12.687 4.873 1.00 0.00 N ATOM 0 H ARG A 90 -4.775 -6.317 2.813 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.485 -7.606 3.932 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.051 -8.721 2.726 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.908 -9.633 3.693 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.401 -8.335 5.664 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.311 -7.155 4.742 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.837 -8.669 5.915 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.006 -8.862 4.181 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.200 -10.737 5.625 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.218 -10.100 3.908 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.598 -11.813 3.698 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.700 -12.941 5.364 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.178 -13.416 4.520 1.00 0.00 H new ATOM 701 N VAL A 91 -3.054 -7.935 0.708 1.00 0.00 N ATOM 702 CA VAL A 91 -2.546 -8.513 -0.534 1.00 0.00 C ATOM 703 C VAL A 91 -1.401 -7.673 -1.111 1.00 0.00 C ATOM 704 O VAL A 91 -0.593 -8.164 -1.901 1.00 0.00 O ATOM 705 CB VAL A 91 -3.677 -8.666 -1.584 1.00 0.00 C ATOM 706 CG1 VAL A 91 -3.944 -7.363 -2.327 1.00 0.00 C ATOM 707 CG2 VAL A 91 -3.360 -9.793 -2.558 1.00 0.00 C ATOM 0 H VAL A 91 -3.850 -7.309 0.589 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.159 -9.504 -0.295 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.589 -8.922 -1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.743 -7.515 -3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.242 -6.593 -1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.038 -7.048 -2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.167 -9.883 -3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.426 -9.574 -3.076 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.260 -10.730 -2.010 1.00 0.00 H new ATOM 717 N PHE A 92 -1.352 -6.408 -0.715 1.00 0.00 N ATOM 718 CA PHE A 92 -0.313 -5.485 -1.163 1.00 0.00 C ATOM 719 C PHE A 92 0.813 -5.385 -0.142 1.00 0.00 C ATOM 720 O PHE A 92 1.634 -4.470 -0.194 1.00 0.00 O ATOM 721 CB PHE A 92 -0.892 -4.100 -1.464 1.00 0.00 C ATOM 722 CG PHE A 92 -1.727 -4.062 -2.715 1.00 0.00 C ATOM 723 CD1 PHE A 92 -1.205 -4.498 -3.924 1.00 0.00 C ATOM 724 CD2 PHE A 92 -3.027 -3.586 -2.685 1.00 0.00 C ATOM 725 CE1 PHE A 92 -1.965 -4.462 -5.077 1.00 0.00 C ATOM 726 CE2 PHE A 92 -3.794 -3.547 -3.834 1.00 0.00 C ATOM 727 CZ PHE A 92 -3.261 -3.985 -5.033 1.00 0.00 C ATOM 0 H PHE A 92 -2.029 -5.992 -0.076 1.00 0.00 H new ATOM 0 HA PHE A 92 0.102 -5.886 -2.088 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.501 -3.777 -0.619 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.075 -3.385 -1.559 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.192 -4.870 -3.964 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.447 -3.241 -1.752 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.547 -4.806 -6.011 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.807 -3.175 -3.796 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.857 -3.954 -5.933 1.00 0.00 H new ATOM 737 N ASP A 93 0.842 -6.330 0.785 1.00 0.00 N ATOM 738 CA ASP A 93 1.886 -6.380 1.796 1.00 0.00 C ATOM 739 C ASP A 93 2.532 -7.760 1.772 1.00 0.00 C ATOM 740 O ASP A 93 1.839 -8.779 1.771 1.00 0.00 O ATOM 741 CB ASP A 93 1.317 -6.091 3.186 1.00 0.00 C ATOM 742 CG ASP A 93 2.405 -5.915 4.223 1.00 0.00 C ATOM 743 OD1 ASP A 93 2.943 -6.902 4.719 1.00 0.00 O ATOM 744 OD2 ASP A 93 2.780 -4.788 4.553 1.00 0.00 O ATOM 0 H ASP A 93 0.150 -7.076 0.858 1.00 0.00 H new ATOM 0 HA ASP A 93 2.632 -5.616 1.575 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.706 -5.189 3.146 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.661 -6.908 3.485 1.00 0.00 H new ATOM 749 N LYS A 94 3.860 -7.784 1.772 1.00 0.00 N ATOM 750 CA LYS A 94 4.605 -9.025 1.581 1.00 0.00 C ATOM 751 C LYS A 94 4.510 -9.901 2.827 1.00 0.00 C ATOM 752 O LYS A 94 4.466 -11.126 2.735 1.00 0.00 O ATOM 753 CB LYS A 94 6.075 -8.723 1.230 1.00 0.00 C ATOM 754 CG LYS A 94 6.858 -8.048 2.349 1.00 0.00 C ATOM 755 CD LYS A 94 8.023 -7.219 1.822 1.00 0.00 C ATOM 756 CE LYS A 94 9.146 -8.078 1.266 1.00 0.00 C ATOM 757 NZ LYS A 94 9.805 -8.899 2.316 1.00 0.00 N ATOM 0 H LYS A 94 4.444 -6.958 1.902 1.00 0.00 H new ATOM 0 HA LYS A 94 4.163 -9.572 0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.573 -9.656 0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.102 -8.085 0.347 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.188 -7.406 2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.236 -8.807 3.034 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.663 -6.548 1.042 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.412 -6.594 2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.748 -8.734 0.492 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.889 -7.437 0.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.692 -9.294 1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.013 -8.303 3.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.172 -9.675 2.598 1.00 0.00 H new ATOM 771 N ASP A 95 4.473 -9.261 3.986 1.00 0.00 N ATOM 772 CA ASP A 95 4.368 -9.970 5.256 1.00 0.00 C ATOM 773 C ASP A 95 2.978 -9.812 5.880 1.00 0.00 C ATOM 774 O ASP A 95 2.773 -10.149 7.048 1.00 0.00 O ATOM 775 CB ASP A 95 5.451 -9.481 6.225 1.00 0.00 C ATOM 776 CG ASP A 95 5.299 -8.022 6.623 1.00 0.00 C ATOM 777 OD1 ASP A 95 5.283 -7.162 5.723 1.00 0.00 O ATOM 778 OD2 ASP A 95 5.170 -7.727 7.838 1.00 0.00 O ATOM 0 H ASP A 95 4.514 -8.246 4.075 1.00 0.00 H new ATOM 0 HA ASP A 95 4.519 -11.031 5.059 1.00 0.00 H new ATOM 0 HB2 ASP A 95 5.428 -10.098 7.123 1.00 0.00 H new ATOM 0 HB3 ASP A 95 6.429 -9.623 5.765 1.00 0.00 H new ATOM 783 N GLY A 96 2.032 -9.320 5.076 1.00 0.00 N ATOM 784 CA GLY A 96 0.646 -9.143 5.501 1.00 0.00 C ATOM 785 C GLY A 96 0.464 -8.445 6.845 1.00 0.00 C ATOM 786 O GLY A 96 -0.444 -8.796 7.597 1.00 0.00 O ATOM 0 H GLY A 96 2.208 -9.034 4.113 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.119 -8.571 4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.170 -10.122 5.551 1.00 0.00 H new ATOM 790 N ASN A 97 1.300 -7.457 7.163 1.00 0.00 N ATOM 791 CA ASN A 97 1.216 -6.786 8.470 1.00 0.00 C ATOM 792 C ASN A 97 0.144 -5.689 8.524 1.00 0.00 C ATOM 793 O ASN A 97 0.186 -4.824 9.398 1.00 0.00 O ATOM 794 CB ASN A 97 2.581 -6.207 8.886 1.00 0.00 C ATOM 795 CG ASN A 97 3.048 -5.057 8.007 1.00 0.00 C ATOM 796 OD1 ASN A 97 3.671 -5.272 6.964 1.00 0.00 O ATOM 797 ND2 ASN A 97 2.791 -3.831 8.434 1.00 0.00 N ATOM 0 H ASN A 97 2.034 -7.104 6.548 1.00 0.00 H new ATOM 0 HA ASN A 97 0.918 -7.558 9.179 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.521 -5.863 9.919 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.327 -7.001 8.858 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.111 -3.026 7.896 1.00 0.00 H new ATOM 0 HD22 ASN A 97 2.273 -3.691 9.301 1.00 0.00 H new ATOM 804 N GLY A 98 -0.817 -5.724 7.607 1.00 0.00 N ATOM 805 CA GLY A 98 -1.953 -4.814 7.701 1.00 0.00 C ATOM 806 C GLY A 98 -1.656 -3.406 7.213 1.00 0.00 C ATOM 807 O GLY A 98 -2.340 -2.459 7.597 1.00 0.00 O ATOM 0 H GLY A 98 -0.834 -6.357 6.807 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.781 -5.222 7.122 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.283 -4.766 8.739 1.00 0.00 H new ATOM 811 N TYR A 99 -0.657 -3.274 6.353 1.00 0.00 N ATOM 812 CA TYR A 99 -0.232 -1.970 5.853 1.00 0.00 C ATOM 813 C TYR A 99 0.343 -2.126 4.458 1.00 0.00 C ATOM 814 O TYR A 99 0.660 -3.231 4.048 1.00 0.00 O ATOM 815 CB TYR A 99 0.804 -1.312 6.775 1.00 0.00 C ATOM 816 CG TYR A 99 0.221 -0.740 8.045 1.00 0.00 C ATOM 817 CD1 TYR A 99 -0.661 0.333 8.002 1.00 0.00 C ATOM 818 CD2 TYR A 99 0.557 -1.266 9.285 1.00 0.00 C ATOM 819 CE1 TYR A 99 -1.194 0.863 9.159 1.00 0.00 C ATOM 820 CE2 TYR A 99 0.028 -0.741 10.448 1.00 0.00 C ATOM 821 CZ TYR A 99 -0.847 0.324 10.381 1.00 0.00 C ATOM 822 OH TYR A 99 -1.377 0.850 11.540 1.00 0.00 O ATOM 0 H TYR A 99 -0.121 -4.059 5.983 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.106 -1.320 5.826 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.563 -2.049 7.036 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.308 -0.515 6.228 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.934 0.759 7.048 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.243 -2.099 9.341 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.880 1.696 9.108 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.298 -1.162 11.405 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.031 0.355 12.312 1.00 0.00 H new ATOM 832 N ILE A 100 0.444 -1.038 3.718 1.00 0.00 N ATOM 833 CA ILE A 100 1.010 -1.100 2.379 1.00 0.00 C ATOM 834 C ILE A 100 2.200 -0.160 2.242 1.00 0.00 C ATOM 835 O ILE A 100 2.044 1.051 2.154 1.00 0.00 O ATOM 836 CB ILE A 100 -0.047 -0.760 1.306 1.00 0.00 C ATOM 837 CG1 ILE A 100 -1.228 -1.729 1.406 1.00 0.00 C ATOM 838 CG2 ILE A 100 0.568 -0.806 -0.086 1.00 0.00 C ATOM 839 CD1 ILE A 100 -2.347 -1.443 0.428 1.00 0.00 C ATOM 0 H ILE A 100 0.146 -0.109 4.015 1.00 0.00 H new ATOM 0 HA ILE A 100 1.350 -2.124 2.222 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.410 0.252 1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.866 -2.744 1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.628 -1.694 2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.193 -0.564 -0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.380 -0.082 -0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.957 -1.806 -0.279 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.144 -2.174 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.739 -0.441 0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.965 -1.508 -0.591 1.00 0.00 H new ATOM 851 N SER A 101 3.391 -0.718 2.253 1.00 0.00 N ATOM 852 CA SER A 101 4.581 0.070 2.006 1.00 0.00 C ATOM 853 C SER A 101 5.043 -0.155 0.570 1.00 0.00 C ATOM 854 O SER A 101 4.548 -1.055 -0.105 1.00 0.00 O ATOM 855 CB SER A 101 5.692 -0.271 3.007 1.00 0.00 C ATOM 856 OG SER A 101 6.805 0.600 2.862 1.00 0.00 O ATOM 0 H SER A 101 3.562 -1.708 2.429 1.00 0.00 H new ATOM 0 HA SER A 101 4.344 1.125 2.143 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.303 -0.201 4.023 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.013 -1.302 2.859 1.00 0.00 H new ATOM 0 HG SER A 101 6.919 1.124 3.682 1.00 0.00 H new ATOM 862 N ALA A 102 5.967 0.659 0.097 1.00 0.00 N ATOM 863 CA ALA A 102 6.421 0.553 -1.283 1.00 0.00 C ATOM 864 C ALA A 102 7.100 -0.788 -1.537 1.00 0.00 C ATOM 865 O ALA A 102 6.723 -1.519 -2.454 1.00 0.00 O ATOM 866 CB ALA A 102 7.354 1.695 -1.617 1.00 0.00 C ATOM 0 H ALA A 102 6.417 1.396 0.640 1.00 0.00 H new ATOM 0 HA ALA A 102 5.549 0.613 -1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.686 1.603 -2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.831 2.642 -1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.219 1.664 -0.955 1.00 0.00 H new ATOM 872 N ALA A 103 8.110 -1.101 -0.728 1.00 0.00 N ATOM 873 CA ALA A 103 8.784 -2.396 -0.799 1.00 0.00 C ATOM 874 C ALA A 103 7.790 -3.548 -0.716 1.00 0.00 C ATOM 875 O ALA A 103 7.967 -4.582 -1.363 1.00 0.00 O ATOM 876 CB ALA A 103 9.826 -2.508 0.301 1.00 0.00 C ATOM 0 H ALA A 103 8.481 -0.474 -0.014 1.00 0.00 H new ATOM 0 HA ALA A 103 9.284 -2.462 -1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.320 -3.477 0.237 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.565 -1.715 0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.341 -2.412 1.273 1.00 0.00 H new ATOM 882 N GLU A 104 6.754 -3.361 0.089 1.00 0.00 N ATOM 883 CA GLU A 104 5.664 -4.321 0.187 1.00 0.00 C ATOM 884 C GLU A 104 4.983 -4.486 -1.159 1.00 0.00 C ATOM 885 O GLU A 104 4.844 -5.603 -1.656 1.00 0.00 O ATOM 886 CB GLU A 104 4.640 -3.838 1.201 1.00 0.00 C ATOM 887 CG GLU A 104 5.249 -3.490 2.548 1.00 0.00 C ATOM 888 CD GLU A 104 5.350 -4.679 3.473 1.00 0.00 C ATOM 889 OE1 GLU A 104 5.245 -5.831 3.007 1.00 0.00 O ATOM 890 OE2 GLU A 104 5.618 -4.498 4.663 1.00 0.00 O ATOM 0 H GLU A 104 6.645 -2.544 0.690 1.00 0.00 H new ATOM 0 HA GLU A 104 6.076 -5.279 0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.130 -2.961 0.803 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.884 -4.611 1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.243 -3.071 2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.647 -2.716 3.024 1.00 0.00 H new ATOM 897 N LEU A 105 4.633 -3.351 -1.769 1.00 0.00 N ATOM 898 CA LEU A 105 3.874 -3.325 -3.016 1.00 0.00 C ATOM 899 C LEU A 105 4.546 -4.182 -4.067 1.00 0.00 C ATOM 900 O LEU A 105 3.910 -4.989 -4.722 1.00 0.00 O ATOM 901 CB LEU A 105 3.749 -1.891 -3.536 1.00 0.00 C ATOM 902 CG LEU A 105 2.489 -1.147 -3.098 1.00 0.00 C ATOM 903 CD1 LEU A 105 2.567 0.315 -3.506 1.00 0.00 C ATOM 904 CD2 LEU A 105 1.256 -1.803 -3.707 1.00 0.00 C ATOM 0 H LEU A 105 4.869 -2.426 -1.410 1.00 0.00 H new ATOM 0 HA LEU A 105 2.880 -3.723 -2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.619 -1.325 -3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.778 -1.913 -4.625 1.00 0.00 H new ATOM 0 HG LEU A 105 2.413 -1.197 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.661 0.831 -3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.434 0.778 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.662 0.386 -4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.363 -1.265 -3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.328 -1.775 -4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.193 -2.839 -3.374 1.00 0.00 H new ATOM 916 N ARG A 106 5.850 -4.047 -4.172 1.00 0.00 N ATOM 917 CA ARG A 106 6.574 -4.744 -5.213 1.00 0.00 C ATOM 918 C ARG A 106 6.791 -6.196 -4.849 1.00 0.00 C ATOM 919 O ARG A 106 6.425 -7.085 -5.610 1.00 0.00 O ATOM 920 CB ARG A 106 7.912 -4.098 -5.518 1.00 0.00 C ATOM 921 CG ARG A 106 7.813 -2.867 -6.396 1.00 0.00 C ATOM 922 CD ARG A 106 9.159 -2.552 -7.010 1.00 0.00 C ATOM 923 NE ARG A 106 9.154 -1.299 -7.760 1.00 0.00 N ATOM 924 CZ ARG A 106 10.259 -0.706 -8.211 1.00 0.00 C ATOM 925 NH1 ARG A 106 11.431 -1.319 -8.118 1.00 0.00 N ATOM 926 NH2 ARG A 106 10.194 0.485 -8.786 1.00 0.00 N ATOM 0 H ARG A 106 6.425 -3.469 -3.559 1.00 0.00 H new ATOM 0 HA ARG A 106 5.955 -4.682 -6.108 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.395 -3.825 -4.580 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.555 -4.830 -6.007 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.076 -3.031 -7.182 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.467 -2.018 -5.806 1.00 0.00 H new ATOM 0 HD2 ARG A 106 9.910 -2.497 -6.222 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.452 -3.367 -7.672 1.00 0.00 H new ATOM 0 HE ARG A 106 8.256 -0.854 -7.949 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.489 -2.248 -7.700 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.275 -0.862 -8.464 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.294 0.955 -8.886 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.044 0.933 -9.129 1.00 0.00 H new ATOM 940 N HIS A 107 7.360 -6.433 -3.675 1.00 0.00 N ATOM 941 CA HIS A 107 7.808 -7.770 -3.304 1.00 0.00 C ATOM 942 C HIS A 107 6.644 -8.743 -3.132 1.00 0.00 C ATOM 943 O HIS A 107 6.820 -9.945 -3.277 1.00 0.00 O ATOM 944 CB HIS A 107 8.670 -7.726 -2.041 1.00 0.00 C ATOM 945 CG HIS A 107 10.019 -7.101 -2.259 1.00 0.00 C ATOM 946 ND1 HIS A 107 11.013 -7.422 -3.121 1.00 0.00 N flip ATOM 947 CD2 HIS A 107 10.479 -6.020 -1.540 1.00 0.00 C flip ATOM 948 CE1 HIS A 107 12.040 -6.537 -2.915 1.00 0.00 C flip ATOM 949 NE2 HIS A 107 11.692 -5.699 -1.958 1.00 0.00 N flip ATOM 0 H HIS A 107 7.522 -5.720 -2.964 1.00 0.00 H new ATOM 0 HA HIS A 107 8.418 -8.142 -4.128 1.00 0.00 H new ATOM 0 HB2 HIS A 107 8.141 -7.169 -1.268 1.00 0.00 H new ATOM 0 HB3 HIS A 107 8.804 -8.741 -1.667 1.00 0.00 H new ATOM 0 HD2 HIS A 107 9.934 -5.514 -0.757 1.00 0.00 H new ATOM 0 HE1 HIS A 107 12.979 -6.528 -3.448 1.00 0.00 H new ATOM 0 HE2 HIS A 107 12.262 -4.933 -1.600 1.00 0.00 H new ATOM 958 N VAL A 108 5.466 -8.235 -2.808 1.00 0.00 N ATOM 959 CA VAL A 108 4.294 -9.100 -2.742 1.00 0.00 C ATOM 960 C VAL A 108 3.661 -9.252 -4.130 1.00 0.00 C ATOM 961 O VAL A 108 3.353 -10.360 -4.568 1.00 0.00 O ATOM 962 CB VAL A 108 3.237 -8.623 -1.713 1.00 0.00 C ATOM 963 CG1 VAL A 108 2.535 -7.351 -2.158 1.00 0.00 C ATOM 964 CG2 VAL A 108 2.223 -9.725 -1.448 1.00 0.00 C ATOM 0 H VAL A 108 5.295 -7.253 -2.591 1.00 0.00 H new ATOM 0 HA VAL A 108 4.646 -10.071 -2.394 1.00 0.00 H new ATOM 0 HB VAL A 108 3.765 -8.392 -0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.804 -7.056 -1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 108 3.269 -6.555 -2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.028 -7.528 -3.106 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.487 -9.376 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.720 -9.988 -2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.734 -10.602 -1.052 1.00 0.00 H new ATOM 974 N MET A 109 3.486 -8.121 -4.813 1.00 0.00 N ATOM 975 CA MET A 109 2.749 -8.072 -6.070 1.00 0.00 C ATOM 976 C MET A 109 3.490 -8.779 -7.213 1.00 0.00 C ATOM 977 O MET A 109 2.925 -9.662 -7.861 1.00 0.00 O ATOM 978 CB MET A 109 2.463 -6.609 -6.413 1.00 0.00 C ATOM 979 CG MET A 109 1.273 -6.389 -7.334 1.00 0.00 C ATOM 980 SD MET A 109 1.712 -6.452 -9.082 1.00 0.00 S ATOM 981 CE MET A 109 2.673 -4.946 -9.233 1.00 0.00 C ATOM 0 H MET A 109 3.850 -7.218 -4.510 1.00 0.00 H new ATOM 0 HA MET A 109 1.811 -8.613 -5.945 1.00 0.00 H new ATOM 0 HB2 MET A 109 2.294 -6.060 -5.487 1.00 0.00 H new ATOM 0 HB3 MET A 109 3.350 -6.180 -6.880 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.516 -7.146 -7.128 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.824 -5.421 -7.113 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.659 -4.608 -10.269 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.243 -4.175 -8.594 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.701 -5.139 -8.928 1.00 0.00 H new ATOM 991 N THR A 110 4.741 -8.406 -7.468 1.00 0.00 N ATOM 992 CA THR A 110 5.489 -8.995 -8.581 1.00 0.00 C ATOM 993 C THR A 110 6.854 -9.532 -8.134 1.00 0.00 C ATOM 994 O THR A 110 7.267 -10.618 -8.545 1.00 0.00 O ATOM 995 CB THR A 110 5.687 -7.963 -9.715 1.00 0.00 C ATOM 996 OG1 THR A 110 4.413 -7.486 -10.161 1.00 0.00 O ATOM 997 CG2 THR A 110 6.438 -8.567 -10.893 1.00 0.00 C ATOM 0 H THR A 110 5.255 -7.709 -6.929 1.00 0.00 H new ATOM 0 HA THR A 110 4.898 -9.833 -8.951 1.00 0.00 H new ATOM 0 HB THR A 110 6.279 -7.138 -9.318 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.844 -7.298 -9.385 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.560 -7.814 -11.672 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.419 -8.909 -10.563 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.874 -9.411 -11.290 1.00 0.00 H new ATOM 1005 N ASN A 111 7.537 -8.779 -7.278 1.00 0.00 N ATOM 1006 CA ASN A 111 8.873 -9.151 -6.813 1.00 0.00 C ATOM 1007 C ASN A 111 8.822 -10.321 -5.830 1.00 0.00 C ATOM 1008 O ASN A 111 7.770 -10.927 -5.623 1.00 0.00 O ATOM 1009 CB ASN A 111 9.569 -7.955 -6.165 1.00 0.00 C ATOM 1010 CG ASN A 111 10.158 -7.002 -7.184 1.00 0.00 C ATOM 1011 OD1 ASN A 111 9.512 -6.044 -7.609 1.00 0.00 O ATOM 1012 ND2 ASN A 111 11.396 -7.255 -7.575 1.00 0.00 N ATOM 0 H ASN A 111 7.187 -7.903 -6.889 1.00 0.00 H new ATOM 0 HA ASN A 111 9.445 -9.468 -7.685 1.00 0.00 H new ATOM 0 HB2 ASN A 111 8.855 -7.418 -5.541 1.00 0.00 H new ATOM 0 HB3 ASN A 111 10.361 -8.313 -5.507 1.00 0.00 H new ATOM 0 HD21 ASN A 111 11.851 -6.645 -8.254 1.00 0.00 H new ATOM 0 HD22 ASN A 111 11.896 -8.060 -7.197 1.00 0.00 H new