USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 508 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 NoAdj : A 60 ASNHD21 : A 60 ASN OD1 : A 200 CACA :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 200 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A 300 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A 300 CACA :(metal ligand) USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 51 MET CE :methyl -133:sc= 0 (180deg=-0.883) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.027 F(o=-0.84,f=-0.027) USER MOD Single : A 62 THR OG1 : rot 130:sc= -0.453 USER MOD Single : A 70 THR OG1 : rot 95:sc= 1.22 USER MOD Single : A 71 MET CE :methyl -177:sc= -1.31 (180deg=-1.46) USER MOD Single : A 72 MET CE :methyl 162:sc= -0.102 (180deg=-0.624) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -131:sc= -0.35 (180deg=-3.64!) USER MOD Single : A 77 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00418) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0428 USER MOD Single : A 81 SER OG : rot 180:sc= -0.154 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.104 USER MOD Single : A 107 HIS : no HD1:sc= -1.93 X(o=-1.9,f=-1.8) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.701 K(o=-0.7,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 46 18.431 -1.377 -6.526 1.00 0.00 N ATOM 2 CA ALA A 46 17.136 -0.675 -6.671 1.00 0.00 C ATOM 3 C ALA A 46 16.224 -0.996 -5.493 1.00 0.00 C ATOM 4 O ALA A 46 15.315 -1.822 -5.603 1.00 0.00 O ATOM 5 CB ALA A 46 16.470 -1.060 -7.983 1.00 0.00 C ATOM 0 HA ALA A 46 17.321 0.399 -6.681 1.00 0.00 H new ATOM 0 HB1 ALA A 46 15.519 -0.536 -8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.118 -0.785 -8.815 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.295 -2.136 -8.000 1.00 0.00 H new ATOM 13 N GLU A 47 16.472 -0.342 -4.365 1.00 0.00 N ATOM 14 CA GLU A 47 15.707 -0.595 -3.156 1.00 0.00 C ATOM 15 C GLU A 47 14.456 0.271 -3.135 1.00 0.00 C ATOM 16 O GLU A 47 14.517 1.473 -3.408 1.00 0.00 O ATOM 17 CB GLU A 47 16.555 -0.313 -1.916 1.00 0.00 C ATOM 18 CG GLU A 47 17.872 -1.067 -1.897 1.00 0.00 C ATOM 19 CD GLU A 47 18.656 -0.835 -0.625 1.00 0.00 C ATOM 20 OE1 GLU A 47 19.073 0.319 -0.378 1.00 0.00 O ATOM 21 OE2 GLU A 47 18.869 -1.804 0.133 1.00 0.00 O ATOM 0 H GLU A 47 17.198 0.368 -4.265 1.00 0.00 H new ATOM 0 HA GLU A 47 15.414 -1.645 -3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 47 16.757 0.757 -1.860 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.982 -0.576 -1.027 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.678 -2.134 -2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.475 -0.760 -2.752 1.00 0.00 H new ATOM 28 N LEU A 48 13.325 -0.332 -2.798 1.00 0.00 N ATOM 29 CA LEU A 48 12.045 0.366 -2.789 1.00 0.00 C ATOM 30 C LEU A 48 11.932 1.354 -1.636 1.00 0.00 C ATOM 31 O LEU A 48 10.901 2.003 -1.486 1.00 0.00 O ATOM 32 CB LEU A 48 10.893 -0.640 -2.717 1.00 0.00 C ATOM 33 CG LEU A 48 10.365 -1.147 -4.062 1.00 0.00 C ATOM 34 CD1 LEU A 48 9.680 -0.024 -4.821 1.00 0.00 C ATOM 35 CD2 LEU A 48 11.491 -1.737 -4.893 1.00 0.00 C ATOM 0 H LEU A 48 13.267 -1.313 -2.524 1.00 0.00 H new ATOM 0 HA LEU A 48 11.985 0.933 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.221 -1.498 -2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.067 -0.180 -2.174 1.00 0.00 H new ATOM 0 HG LEU A 48 9.634 -1.932 -3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.311 -0.402 -5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.844 0.356 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.393 0.781 -5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.094 -2.091 -5.844 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.246 -0.973 -5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.942 -2.571 -4.355 1.00 0.00 H new ATOM 47 N GLN A 49 12.973 1.467 -0.817 1.00 0.00 N ATOM 48 CA GLN A 49 12.964 2.432 0.273 1.00 0.00 C ATOM 49 C GLN A 49 12.830 3.848 -0.274 1.00 0.00 C ATOM 50 O GLN A 49 12.195 4.699 0.340 1.00 0.00 O ATOM 51 CB GLN A 49 14.222 2.316 1.132 1.00 0.00 C ATOM 52 CG GLN A 49 14.276 1.038 1.956 1.00 0.00 C ATOM 53 CD GLN A 49 15.419 1.022 2.953 1.00 0.00 C ATOM 54 OE1 GLN A 49 16.496 1.722 2.638 1.00 0.00 O flip ATOM 55 NE2 GLN A 49 15.328 0.383 4.003 1.00 0.00 N flip ATOM 0 H GLN A 49 13.824 0.909 -0.887 1.00 0.00 H new ATOM 0 HA GLN A 49 12.104 2.211 0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 49 15.099 2.360 0.486 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.276 3.174 1.802 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.334 0.917 2.490 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.374 0.184 1.286 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.479 -0.144 4.207 1.00 0.00 H new ATOM 0 HE22 GLN A 49 16.102 0.381 4.668 1.00 0.00 H new ATOM 64 N ASP A 50 13.415 4.081 -1.442 1.00 0.00 N ATOM 65 CA ASP A 50 13.261 5.355 -2.135 1.00 0.00 C ATOM 66 C ASP A 50 11.788 5.608 -2.435 1.00 0.00 C ATOM 67 O ASP A 50 11.250 6.675 -2.137 1.00 0.00 O ATOM 68 CB ASP A 50 14.070 5.346 -3.430 1.00 0.00 C ATOM 69 CG ASP A 50 13.882 6.607 -4.246 1.00 0.00 C ATOM 70 OD1 ASP A 50 14.499 7.639 -3.906 1.00 0.00 O ATOM 71 OD2 ASP A 50 13.107 6.573 -5.223 1.00 0.00 O ATOM 0 H ASP A 50 14.001 3.404 -1.930 1.00 0.00 H new ATOM 0 HA ASP A 50 13.632 6.156 -1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.127 5.226 -3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.779 4.484 -4.029 1.00 0.00 H new ATOM 76 N MET A 51 11.142 4.593 -3.000 1.00 0.00 N ATOM 77 CA MET A 51 9.715 4.647 -3.293 1.00 0.00 C ATOM 78 C MET A 51 8.912 4.836 -2.004 1.00 0.00 C ATOM 79 O MET A 51 7.870 5.485 -1.999 1.00 0.00 O ATOM 80 CB MET A 51 9.279 3.362 -4.001 1.00 0.00 C ATOM 81 CG MET A 51 7.848 3.381 -4.516 1.00 0.00 C ATOM 82 SD MET A 51 7.606 4.573 -5.847 1.00 0.00 S ATOM 83 CE MET A 51 5.934 4.176 -6.355 1.00 0.00 C ATOM 0 H MET A 51 11.590 3.716 -3.266 1.00 0.00 H new ATOM 0 HA MET A 51 9.524 5.497 -3.948 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.951 3.178 -4.839 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.393 2.526 -3.311 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.580 2.386 -4.871 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.173 3.618 -3.694 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.892 4.099 -7.441 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.635 3.226 -5.912 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.256 4.961 -6.021 1.00 0.00 H new ATOM 93 N ILE A 52 9.422 4.279 -0.906 1.00 0.00 N ATOM 94 CA ILE A 52 8.785 4.422 0.399 1.00 0.00 C ATOM 95 C ILE A 52 8.821 5.882 0.839 1.00 0.00 C ATOM 96 O ILE A 52 7.814 6.438 1.266 1.00 0.00 O ATOM 97 CB ILE A 52 9.490 3.557 1.477 1.00 0.00 C ATOM 98 CG1 ILE A 52 9.287 2.067 1.195 1.00 0.00 C ATOM 99 CG2 ILE A 52 8.988 3.909 2.872 1.00 0.00 C ATOM 100 CD1 ILE A 52 10.032 1.157 2.151 1.00 0.00 C ATOM 0 H ILE A 52 10.277 3.723 -0.896 1.00 0.00 H new ATOM 0 HA ILE A 52 7.754 4.082 0.299 1.00 0.00 H new ATOM 0 HB ILE A 52 10.558 3.773 1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.222 1.839 1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.611 1.852 0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.498 3.289 3.609 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.193 4.960 3.078 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.914 3.731 2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.839 0.117 1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 52 11.102 1.356 2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.692 1.343 3.170 1.00 0.00 H new ATOM 112 N ASN A 53 9.985 6.496 0.683 1.00 0.00 N ATOM 113 CA ASN A 53 10.210 7.860 1.153 1.00 0.00 C ATOM 114 C ASN A 53 9.369 8.860 0.363 1.00 0.00 C ATOM 115 O ASN A 53 8.915 9.866 0.905 1.00 0.00 O ATOM 116 CB ASN A 53 11.688 8.245 1.048 1.00 0.00 C ATOM 117 CG ASN A 53 12.610 7.327 1.835 1.00 0.00 C ATOM 118 OD1 ASN A 53 12.104 6.721 2.899 1.00 0.00 O flip ATOM 119 ND2 ASN A 53 13.776 7.160 1.477 1.00 0.00 N flip ATOM 0 H ASN A 53 10.794 6.070 0.232 1.00 0.00 H new ATOM 0 HA ASN A 53 9.909 7.892 2.200 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.985 8.233 -0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.815 9.267 1.404 1.00 0.00 H new ATOM 0 HD21 ASN A 53 14.130 7.644 0.652 1.00 0.00 H new ATOM 0 HD22 ASN A 53 14.388 6.538 2.005 1.00 0.00 H new ATOM 126 N GLU A 54 9.152 8.570 -0.914 1.00 0.00 N ATOM 127 CA GLU A 54 8.414 9.473 -1.792 1.00 0.00 C ATOM 128 C GLU A 54 6.903 9.298 -1.628 1.00 0.00 C ATOM 129 O GLU A 54 6.153 10.277 -1.583 1.00 0.00 O ATOM 130 CB GLU A 54 8.804 9.217 -3.251 1.00 0.00 C ATOM 131 CG GLU A 54 10.287 9.395 -3.529 1.00 0.00 C ATOM 132 CD GLU A 54 10.777 10.789 -3.200 1.00 0.00 C ATOM 133 OE1 GLU A 54 10.415 11.737 -3.930 1.00 0.00 O ATOM 134 OE2 GLU A 54 11.528 10.948 -2.216 1.00 0.00 O ATOM 0 H GLU A 54 9.477 7.715 -1.366 1.00 0.00 H new ATOM 0 HA GLU A 54 8.672 10.495 -1.515 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.512 8.203 -3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.240 9.894 -3.892 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.852 8.668 -2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.484 9.183 -4.580 1.00 0.00 H new ATOM 141 N VAL A 55 6.467 8.048 -1.547 1.00 0.00 N ATOM 142 CA VAL A 55 5.038 7.747 -1.495 1.00 0.00 C ATOM 143 C VAL A 55 4.458 7.997 -0.103 1.00 0.00 C ATOM 144 O VAL A 55 3.301 8.408 0.028 1.00 0.00 O ATOM 145 CB VAL A 55 4.750 6.289 -1.927 1.00 0.00 C ATOM 146 CG1 VAL A 55 3.277 5.944 -1.757 1.00 0.00 C ATOM 147 CG2 VAL A 55 5.174 6.076 -3.371 1.00 0.00 C ATOM 0 H VAL A 55 7.075 7.230 -1.516 1.00 0.00 H new ATOM 0 HA VAL A 55 4.551 8.423 -2.198 1.00 0.00 H new ATOM 0 HB VAL A 55 5.329 5.627 -1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.106 4.914 -2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.995 6.058 -0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.673 6.613 -2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.966 5.047 -3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.619 6.756 -4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.242 6.273 -3.470 1.00 0.00 H new ATOM 157 N ASP A 56 5.262 7.772 0.926 1.00 0.00 N ATOM 158 CA ASP A 56 4.835 8.021 2.300 1.00 0.00 C ATOM 159 C ASP A 56 4.443 9.477 2.505 1.00 0.00 C ATOM 160 O ASP A 56 5.190 10.400 2.180 1.00 0.00 O ATOM 161 CB ASP A 56 5.922 7.624 3.277 1.00 0.00 C ATOM 162 CG ASP A 56 5.376 7.330 4.653 1.00 0.00 C ATOM 163 OD1 ASP A 56 4.152 7.341 4.802 1.00 0.00 O ATOM 164 OD2 ASP A 56 6.167 7.097 5.604 1.00 0.00 O ATOM 0 H ASP A 56 6.214 7.417 0.838 1.00 0.00 H new ATOM 0 HA ASP A 56 3.954 7.407 2.489 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.443 6.744 2.900 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.658 8.426 3.344 1.00 0.00 H new ATOM 169 N ALA A 57 3.261 9.646 3.065 1.00 0.00 N ATOM 170 CA ALA A 57 2.654 10.954 3.236 1.00 0.00 C ATOM 171 C ALA A 57 2.871 11.457 4.653 1.00 0.00 C ATOM 172 O ALA A 57 3.109 12.642 4.887 1.00 0.00 O ATOM 173 CB ALA A 57 1.169 10.892 2.919 1.00 0.00 C ATOM 0 H ALA A 57 2.691 8.877 3.416 1.00 0.00 H new ATOM 0 HA ALA A 57 3.129 11.650 2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.727 11.880 3.051 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.030 10.568 1.888 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.683 10.184 3.590 1.00 0.00 H new ATOM 179 N ASP A 58 2.774 10.533 5.593 1.00 0.00 N ATOM 180 CA ASP A 58 2.904 10.849 7.010 1.00 0.00 C ATOM 181 C ASP A 58 4.320 10.590 7.516 1.00 0.00 C ATOM 182 O ASP A 58 4.701 11.078 8.578 1.00 0.00 O ATOM 183 CB ASP A 58 1.908 10.026 7.833 1.00 0.00 C ATOM 184 CG ASP A 58 1.939 8.552 7.475 1.00 0.00 C ATOM 185 OD1 ASP A 58 2.993 8.045 7.087 1.00 0.00 O ATOM 186 OD2 ASP A 58 0.915 7.859 7.634 1.00 0.00 O ATOM 0 H ASP A 58 2.604 9.546 5.400 1.00 0.00 H new ATOM 0 HA ASP A 58 2.687 11.911 7.129 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.132 10.144 8.893 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.902 10.414 7.675 1.00 0.00 H new ATOM 191 N GLY A 59 5.098 9.820 6.758 1.00 0.00 N ATOM 192 CA GLY A 59 6.476 9.561 7.142 1.00 0.00 C ATOM 193 C GLY A 59 6.633 8.456 8.182 1.00 0.00 C ATOM 194 O GLY A 59 7.662 8.384 8.857 1.00 0.00 O ATOM 0 H GLY A 59 4.801 9.373 5.890 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.046 9.292 6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.912 10.480 7.534 1.00 0.00 H new ATOM 198 N ASN A 60 5.628 7.589 8.317 1.00 0.00 N ATOM 199 CA ASN A 60 5.718 6.456 9.249 1.00 0.00 C ATOM 200 C ASN A 60 6.503 5.285 8.642 1.00 0.00 C ATOM 201 O ASN A 60 6.775 4.292 9.322 1.00 0.00 O ATOM 202 CB ASN A 60 4.326 5.973 9.704 1.00 0.00 C ATOM 203 CG ASN A 60 3.370 5.674 8.560 1.00 0.00 C ATOM 204 OD1 ASN A 60 3.776 5.498 7.414 1.00 0.00 O ATOM 205 ND2 ASN A 60 2.082 5.593 8.871 1.00 0.00 N ATOM 0 H ASN A 60 4.750 7.645 7.801 1.00 0.00 H new ATOM 0 HA ASN A 60 6.257 6.820 10.124 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.445 5.074 10.309 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.881 6.733 10.346 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.395 5.379 8.148 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.779 5.745 9.833 1.00 0.00 H new ATOM 212 N GLY A 61 6.863 5.403 7.370 1.00 0.00 N ATOM 213 CA GLY A 61 7.637 4.367 6.707 1.00 0.00 C ATOM 214 C GLY A 61 6.774 3.440 5.876 1.00 0.00 C ATOM 215 O GLY A 61 7.251 2.428 5.357 1.00 0.00 O ATOM 0 H GLY A 61 6.632 6.203 6.781 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.387 4.832 6.066 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.174 3.784 7.455 1.00 0.00 H new ATOM 219 N THR A 62 5.500 3.781 5.749 1.00 0.00 N ATOM 220 CA THR A 62 4.562 2.937 5.031 1.00 0.00 C ATOM 221 C THR A 62 3.342 3.739 4.596 1.00 0.00 C ATOM 222 O THR A 62 3.159 4.893 4.997 1.00 0.00 O ATOM 223 CB THR A 62 4.120 1.737 5.908 1.00 0.00 C ATOM 224 OG1 THR A 62 3.277 0.846 5.164 1.00 0.00 O ATOM 225 CG2 THR A 62 3.378 2.208 7.152 1.00 0.00 C ATOM 0 H THR A 62 5.095 4.634 6.133 1.00 0.00 H new ATOM 0 HA THR A 62 5.066 2.554 4.143 1.00 0.00 H new ATOM 0 HB THR A 62 5.023 1.209 6.214 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.607 -0.072 5.259 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.081 1.345 7.747 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.031 2.849 7.744 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.491 2.768 6.856 1.00 0.00 H new ATOM 233 N ILE A 63 2.518 3.134 3.764 1.00 0.00 N ATOM 234 CA ILE A 63 1.232 3.702 3.434 1.00 0.00 C ATOM 235 C ILE A 63 0.215 3.234 4.467 1.00 0.00 C ATOM 236 O ILE A 63 0.272 2.090 4.930 1.00 0.00 O ATOM 237 CB ILE A 63 0.789 3.318 1.997 1.00 0.00 C ATOM 238 CG1 ILE A 63 0.711 4.566 1.116 1.00 0.00 C ATOM 239 CG2 ILE A 63 -0.538 2.566 1.996 1.00 0.00 C ATOM 240 CD1 ILE A 63 0.341 4.273 -0.322 1.00 0.00 C ATOM 0 H ILE A 63 2.720 2.246 3.304 1.00 0.00 H new ATOM 0 HA ILE A 63 1.304 4.789 3.456 1.00 0.00 H new ATOM 0 HB ILE A 63 1.540 2.644 1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.023 5.253 1.538 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.674 5.076 1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.813 2.315 0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.438 1.651 2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.312 3.194 2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.305 5.205 -0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.087 3.611 -0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.636 3.791 -0.355 1.00 0.00 H new ATOM 252 N ASP A 64 -0.687 4.121 4.839 1.00 0.00 N ATOM 253 CA ASP A 64 -1.713 3.820 5.818 1.00 0.00 C ATOM 254 C ASP A 64 -3.040 3.837 5.079 1.00 0.00 C ATOM 255 O ASP A 64 -3.056 4.119 3.877 1.00 0.00 O ATOM 256 CB ASP A 64 -1.701 4.871 6.937 1.00 0.00 C ATOM 257 CG ASP A 64 -2.309 4.384 8.245 1.00 0.00 C ATOM 258 OD1 ASP A 64 -3.512 4.051 8.253 1.00 0.00 O ATOM 259 OD2 ASP A 64 -1.591 4.319 9.262 1.00 0.00 O ATOM 0 H ASP A 64 -0.729 5.071 4.471 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.543 2.849 6.283 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.672 5.182 7.119 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.246 5.753 6.600 1.00 0.00 H new ATOM 264 N PHE A 65 -4.141 3.562 5.755 1.00 0.00 N ATOM 265 CA PHE A 65 -5.449 3.630 5.116 1.00 0.00 C ATOM 266 C PHE A 65 -5.697 5.011 4.489 1.00 0.00 C ATOM 267 O PHE A 65 -6.026 5.091 3.304 1.00 0.00 O ATOM 268 CB PHE A 65 -6.562 3.260 6.102 1.00 0.00 C ATOM 269 CG PHE A 65 -6.594 1.794 6.427 1.00 0.00 C ATOM 270 CD1 PHE A 65 -5.765 1.275 7.408 1.00 0.00 C ATOM 271 CD2 PHE A 65 -7.456 0.940 5.759 1.00 0.00 C ATOM 272 CE1 PHE A 65 -5.796 -0.069 7.719 1.00 0.00 C ATOM 273 CE2 PHE A 65 -7.493 -0.405 6.066 1.00 0.00 C ATOM 274 CZ PHE A 65 -6.644 -0.920 7.004 1.00 0.00 C ATOM 0 H PHE A 65 -4.160 3.291 6.738 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.461 2.898 4.308 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.428 3.828 7.023 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.524 3.555 5.683 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.087 1.930 7.935 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.106 1.331 4.990 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.171 -0.460 8.508 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.196 -1.053 5.563 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.628 -1.983 7.193 1.00 0.00 H new ATOM 284 N PRO A 66 -5.532 6.122 5.247 1.00 0.00 N ATOM 285 CA PRO A 66 -5.674 7.472 4.691 1.00 0.00 C ATOM 286 C PRO A 66 -4.753 7.714 3.493 1.00 0.00 C ATOM 287 O PRO A 66 -5.183 8.259 2.473 1.00 0.00 O ATOM 288 CB PRO A 66 -5.289 8.398 5.855 1.00 0.00 C ATOM 289 CG PRO A 66 -4.613 7.523 6.853 1.00 0.00 C ATOM 290 CD PRO A 66 -5.228 6.168 6.686 1.00 0.00 C ATOM 0 HA PRO A 66 -6.683 7.642 4.315 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.626 9.195 5.519 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -6.170 8.875 6.284 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.538 7.489 6.679 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.760 7.898 7.866 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.542 5.374 6.980 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.126 6.054 7.293 1.00 0.00 H new ATOM 298 N GLU A 67 -3.494 7.289 3.614 1.00 0.00 N ATOM 299 CA GLU A 67 -2.503 7.520 2.569 1.00 0.00 C ATOM 300 C GLU A 67 -2.872 6.786 1.281 1.00 0.00 C ATOM 301 O GLU A 67 -2.951 7.393 0.213 1.00 0.00 O ATOM 302 CB GLU A 67 -1.115 7.079 3.038 1.00 0.00 C ATOM 303 CG GLU A 67 -0.653 7.769 4.309 1.00 0.00 C ATOM 304 CD GLU A 67 0.747 7.365 4.726 1.00 0.00 C ATOM 305 OE1 GLU A 67 0.934 6.284 5.294 1.00 0.00 O ATOM 306 OE2 GLU A 67 1.695 8.131 4.531 1.00 0.00 O ATOM 0 H GLU A 67 -3.140 6.784 4.426 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.487 8.590 2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.122 6.001 3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.394 7.276 2.245 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.685 8.849 4.162 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.348 7.536 5.116 1.00 0.00 H new ATOM 313 N PHE A 68 -3.114 5.482 1.393 1.00 0.00 N ATOM 314 CA PHE A 68 -3.389 4.648 0.225 1.00 0.00 C ATOM 315 C PHE A 68 -4.601 5.166 -0.542 1.00 0.00 C ATOM 316 O PHE A 68 -4.558 5.311 -1.764 1.00 0.00 O ATOM 317 CB PHE A 68 -3.627 3.194 0.648 1.00 0.00 C ATOM 318 CG PHE A 68 -3.619 2.215 -0.497 1.00 0.00 C ATOM 319 CD1 PHE A 68 -2.428 1.711 -0.991 1.00 0.00 C ATOM 320 CD2 PHE A 68 -4.810 1.807 -1.081 1.00 0.00 C ATOM 321 CE1 PHE A 68 -2.422 0.816 -2.046 1.00 0.00 C ATOM 322 CE2 PHE A 68 -4.811 0.914 -2.136 1.00 0.00 C ATOM 323 CZ PHE A 68 -3.596 0.400 -2.604 1.00 0.00 C ATOM 0 H PHE A 68 -3.125 4.980 2.281 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.518 4.692 -0.429 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.859 2.905 1.366 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.586 3.128 1.163 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.493 2.020 -0.548 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.747 2.192 -0.707 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.483 0.445 -2.430 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.742 0.615 -2.596 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.588 -0.324 -3.405 1.00 0.00 H new ATOM 333 N LEU A 69 -5.675 5.456 0.183 1.00 0.00 N ATOM 334 CA LEU A 69 -6.906 5.921 -0.426 1.00 0.00 C ATOM 335 C LEU A 69 -6.739 7.269 -1.098 1.00 0.00 C ATOM 336 O LEU A 69 -7.197 7.463 -2.224 1.00 0.00 O ATOM 337 CB LEU A 69 -8.011 5.998 0.618 1.00 0.00 C ATOM 338 CG LEU A 69 -8.793 4.708 0.798 1.00 0.00 C ATOM 339 CD1 LEU A 69 -9.395 4.298 -0.531 1.00 0.00 C ATOM 340 CD2 LEU A 69 -7.914 3.600 1.352 1.00 0.00 C ATOM 0 H LEU A 69 -5.713 5.375 1.199 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.177 5.200 -1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.571 6.279 1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.703 6.793 0.339 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.591 4.881 1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.957 3.372 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.063 5.083 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.599 4.143 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.504 2.691 1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.090 3.411 0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.516 3.901 2.321 1.00 0.00 H new ATOM 352 N THR A 70 -6.079 8.192 -0.419 1.00 0.00 N ATOM 353 CA THR A 70 -5.946 9.541 -0.930 1.00 0.00 C ATOM 354 C THR A 70 -5.105 9.564 -2.204 1.00 0.00 C ATOM 355 O THR A 70 -5.495 10.165 -3.194 1.00 0.00 O ATOM 356 CB THR A 70 -5.324 10.482 0.124 1.00 0.00 C ATOM 357 OG1 THR A 70 -6.131 10.487 1.311 1.00 0.00 O ATOM 358 CG2 THR A 70 -5.193 11.905 -0.407 1.00 0.00 C ATOM 0 H THR A 70 -5.630 8.031 0.483 1.00 0.00 H new ATOM 0 HA THR A 70 -6.949 9.898 -1.164 1.00 0.00 H new ATOM 0 HB THR A 70 -4.326 10.110 0.356 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.769 9.843 1.955 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.752 12.541 0.361 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.555 11.906 -1.290 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.179 12.287 -0.671 1.00 0.00 H new ATOM 366 N MET A 71 -3.962 8.897 -2.166 1.00 0.00 N ATOM 367 CA MET A 71 -3.057 8.836 -3.311 1.00 0.00 C ATOM 368 C MET A 71 -3.679 8.097 -4.493 1.00 0.00 C ATOM 369 O MET A 71 -3.396 8.420 -5.649 1.00 0.00 O ATOM 370 CB MET A 71 -1.735 8.167 -2.918 1.00 0.00 C ATOM 371 CG MET A 71 -0.718 9.114 -2.290 1.00 0.00 C ATOM 372 SD MET A 71 -1.322 9.926 -0.796 1.00 0.00 S ATOM 373 CE MET A 71 0.071 10.985 -0.417 1.00 0.00 C ATOM 0 H MET A 71 -3.634 8.384 -1.347 1.00 0.00 H new ATOM 0 HA MET A 71 -2.865 9.863 -3.622 1.00 0.00 H new ATOM 0 HB2 MET A 71 -1.944 7.359 -2.217 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.293 7.713 -3.805 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.187 8.556 -2.051 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.441 9.874 -3.021 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.120 11.519 0.514 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.970 10.379 -0.309 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.212 11.703 -1.225 1.00 0.00 H new ATOM 383 N MET A 72 -4.513 7.101 -4.215 1.00 0.00 N ATOM 384 CA MET A 72 -5.173 6.364 -5.285 1.00 0.00 C ATOM 385 C MET A 72 -6.285 7.207 -5.904 1.00 0.00 C ATOM 386 O MET A 72 -6.172 7.651 -7.053 1.00 0.00 O ATOM 387 CB MET A 72 -5.739 5.039 -4.758 1.00 0.00 C ATOM 388 CG MET A 72 -6.429 4.195 -5.823 1.00 0.00 C ATOM 389 SD MET A 72 -5.308 3.640 -7.126 1.00 0.00 S ATOM 390 CE MET A 72 -4.170 2.622 -6.188 1.00 0.00 C ATOM 0 H MET A 72 -4.745 6.789 -3.272 1.00 0.00 H new ATOM 0 HA MET A 72 -4.435 6.141 -6.055 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.928 4.459 -4.317 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.450 5.251 -3.959 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.885 3.325 -5.350 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.237 4.774 -6.270 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.626 1.964 -6.866 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.463 3.260 -5.658 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.727 2.021 -5.469 1.00 0.00 H new ATOM 400 N ALA A 73 -7.359 7.432 -5.140 1.00 0.00 N ATOM 401 CA ALA A 73 -8.465 8.284 -5.568 1.00 0.00 C ATOM 402 C ALA A 73 -8.027 9.685 -5.960 1.00 0.00 C ATOM 403 O ALA A 73 -8.812 10.415 -6.567 1.00 0.00 O ATOM 404 CB ALA A 73 -9.517 8.355 -4.472 1.00 0.00 C ATOM 0 H ALA A 73 -7.483 7.029 -4.211 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.885 7.827 -6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.339 8.992 -4.798 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.894 7.354 -4.264 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.073 8.770 -3.567 1.00 0.00 H new ATOM 410 N ARG A 74 -6.805 10.068 -5.581 1.00 0.00 N ATOM 411 CA ARG A 74 -6.240 11.352 -5.985 1.00 0.00 C ATOM 412 C ARG A 74 -6.565 11.645 -7.446 1.00 0.00 C ATOM 413 O ARG A 74 -6.878 12.778 -7.812 1.00 0.00 O ATOM 414 CB ARG A 74 -4.724 11.403 -5.780 1.00 0.00 C ATOM 415 CG ARG A 74 -4.140 12.784 -6.050 1.00 0.00 C ATOM 416 CD ARG A 74 -2.651 12.848 -5.749 1.00 0.00 C ATOM 417 NE ARG A 74 -2.111 14.194 -5.948 1.00 0.00 N ATOM 418 CZ ARG A 74 -1.194 14.752 -5.160 1.00 0.00 C ATOM 419 NH1 ARG A 74 -0.738 14.094 -4.100 1.00 0.00 N ATOM 420 NH2 ARG A 74 -0.753 15.978 -5.414 1.00 0.00 N ATOM 0 H ARG A 74 -6.190 9.504 -4.994 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.694 12.112 -5.349 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.490 11.108 -4.757 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.248 10.677 -6.439 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.310 13.050 -7.093 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.664 13.523 -5.443 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.475 12.535 -4.720 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.120 12.145 -6.391 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.458 14.737 -6.738 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.090 13.160 -3.889 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.036 14.522 -3.497 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.117 16.495 -6.214 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.051 16.403 -4.809 1.00 0.00 H new ATOM 434 N LYS A 75 -6.494 10.610 -8.277 1.00 0.00 N ATOM 435 CA LYS A 75 -6.921 10.725 -9.659 1.00 0.00 C ATOM 436 C LYS A 75 -7.882 9.597 -10.042 1.00 0.00 C ATOM 437 O LYS A 75 -8.906 9.843 -10.678 1.00 0.00 O ATOM 438 CB LYS A 75 -5.717 10.756 -10.611 1.00 0.00 C ATOM 439 CG LYS A 75 -4.834 9.516 -10.556 1.00 0.00 C ATOM 440 CD LYS A 75 -3.697 9.605 -11.559 1.00 0.00 C ATOM 441 CE LYS A 75 -4.218 9.753 -12.979 1.00 0.00 C ATOM 442 NZ LYS A 75 -3.127 10.052 -13.942 1.00 0.00 N ATOM 0 H LYS A 75 -6.146 9.688 -8.015 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.456 11.670 -9.756 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.080 10.883 -11.631 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.109 11.630 -10.378 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.428 9.400 -9.551 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.434 8.630 -10.761 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.060 10.454 -11.314 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.078 8.711 -11.489 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.724 8.835 -13.277 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.960 10.551 -13.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.524 10.145 -14.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.660 10.941 -13.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.432 9.279 -13.930 1.00 0.00 H new ATOM 456 N MET A 76 -7.574 8.369 -9.633 1.00 0.00 N ATOM 457 CA MET A 76 -8.325 7.209 -10.096 1.00 0.00 C ATOM 458 C MET A 76 -9.124 6.580 -8.955 1.00 0.00 C ATOM 459 O MET A 76 -8.536 6.091 -7.992 1.00 0.00 O ATOM 460 CB MET A 76 -7.374 6.176 -10.699 1.00 0.00 C ATOM 461 CG MET A 76 -8.072 4.928 -11.212 1.00 0.00 C ATOM 462 SD MET A 76 -9.237 5.284 -12.542 1.00 0.00 S ATOM 463 CE MET A 76 -9.840 3.637 -12.909 1.00 0.00 C ATOM 0 H MET A 76 -6.815 8.154 -8.987 1.00 0.00 H new ATOM 0 HA MET A 76 -9.027 7.542 -10.861 1.00 0.00 H new ATOM 0 HB2 MET A 76 -6.824 6.637 -11.519 1.00 0.00 H new ATOM 0 HB3 MET A 76 -6.641 5.888 -9.946 1.00 0.00 H new ATOM 0 HG2 MET A 76 -7.325 4.219 -11.568 1.00 0.00 H new ATOM 0 HG3 MET A 76 -8.601 4.448 -10.389 1.00 0.00 H new ATOM 0 HE1 MET A 76 -9.795 3.464 -13.984 1.00 0.00 H new ATOM 0 HE2 MET A 76 -9.221 2.900 -12.397 1.00 0.00 H new ATOM 0 HE3 MET A 76 -10.871 3.543 -12.569 1.00 0.00 H new ATOM 473 N LYS A 77 -10.443 6.579 -9.044 1.00 0.00 N ATOM 474 CA LYS A 77 -11.235 5.807 -8.098 1.00 0.00 C ATOM 475 C LYS A 77 -11.878 4.628 -8.813 1.00 0.00 C ATOM 476 O LYS A 77 -12.703 4.811 -9.710 1.00 0.00 O ATOM 477 CB LYS A 77 -12.301 6.659 -7.402 1.00 0.00 C ATOM 478 CG LYS A 77 -12.921 5.968 -6.192 1.00 0.00 C ATOM 479 CD LYS A 77 -11.859 5.630 -5.153 1.00 0.00 C ATOM 480 CE LYS A 77 -12.398 4.755 -4.030 1.00 0.00 C ATOM 481 NZ LYS A 77 -13.488 5.413 -3.264 1.00 0.00 N ATOM 0 H LYS A 77 -10.980 7.091 -9.744 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.564 5.443 -7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.855 7.602 -7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -13.087 6.902 -8.117 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.677 6.615 -5.747 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.428 5.057 -6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.029 5.119 -5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.462 6.553 -4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.768 3.819 -4.449 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.584 4.500 -3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.795 4.788 -2.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.141 6.310 -2.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.292 5.602 -3.897 1.00 0.00 H new ATOM 495 N ASP A 78 -11.497 3.426 -8.421 1.00 0.00 N ATOM 496 CA ASP A 78 -12.006 2.221 -9.060 1.00 0.00 C ATOM 497 C ASP A 78 -12.405 1.187 -8.020 1.00 0.00 C ATOM 498 O ASP A 78 -12.860 0.094 -8.360 1.00 0.00 O ATOM 499 CB ASP A 78 -10.936 1.624 -9.977 1.00 0.00 C ATOM 500 CG ASP A 78 -9.798 0.974 -9.205 1.00 0.00 C ATOM 501 OD1 ASP A 78 -9.060 1.699 -8.500 1.00 0.00 O ATOM 502 OD2 ASP A 78 -9.632 -0.260 -9.302 1.00 0.00 O ATOM 0 H ASP A 78 -10.836 3.256 -7.663 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.884 2.492 -9.645 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.396 0.883 -10.631 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.533 2.409 -10.618 1.00 0.00 H new ATOM 507 N THR A 79 -12.245 1.534 -6.755 1.00 0.00 N ATOM 508 CA THR A 79 -12.424 0.569 -5.692 1.00 0.00 C ATOM 509 C THR A 79 -13.851 0.486 -5.194 1.00 0.00 C ATOM 510 O THR A 79 -14.620 1.450 -5.236 1.00 0.00 O ATOM 511 CB THR A 79 -11.527 0.875 -4.489 1.00 0.00 C ATOM 512 OG1 THR A 79 -10.824 2.110 -4.702 1.00 0.00 O ATOM 513 CG2 THR A 79 -10.533 -0.250 -4.266 1.00 0.00 C ATOM 0 H THR A 79 -11.993 2.472 -6.443 1.00 0.00 H new ATOM 0 HA THR A 79 -12.149 -0.386 -6.139 1.00 0.00 H new ATOM 0 HB THR A 79 -12.156 0.967 -3.603 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.254 2.300 -3.928 1.00 0.00 H new ATOM 0 HG21 THR A 79 -9.904 -0.015 -3.407 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.071 -1.179 -4.078 1.00 0.00 H new ATOM 0 HG23 THR A 79 -9.909 -0.365 -5.152 1.00 0.00 H new ATOM 521 N ASP A 80 -14.173 -0.708 -4.743 1.00 0.00 N ATOM 522 CA ASP A 80 -15.344 -0.974 -3.938 1.00 0.00 C ATOM 523 C ASP A 80 -15.096 -0.478 -2.506 1.00 0.00 C ATOM 524 O ASP A 80 -14.362 0.488 -2.294 1.00 0.00 O ATOM 525 CB ASP A 80 -15.703 -2.466 -3.985 1.00 0.00 C ATOM 526 CG ASP A 80 -16.299 -2.871 -5.318 1.00 0.00 C ATOM 527 OD1 ASP A 80 -17.537 -2.748 -5.483 1.00 0.00 O ATOM 528 OD2 ASP A 80 -15.541 -3.317 -6.208 1.00 0.00 O ATOM 0 H ASP A 80 -13.613 -1.540 -4.931 1.00 0.00 H new ATOM 0 HA ASP A 80 -16.201 -0.434 -4.339 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -14.809 -3.059 -3.794 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -16.412 -2.692 -3.188 1.00 0.00 H new ATOM 533 N SER A 81 -15.691 -1.144 -1.537 1.00 0.00 N ATOM 534 CA SER A 81 -15.807 -0.598 -0.194 1.00 0.00 C ATOM 535 C SER A 81 -14.497 -0.759 0.561 1.00 0.00 C ATOM 536 O SER A 81 -13.547 -1.357 0.044 1.00 0.00 O ATOM 537 CB SER A 81 -16.957 -1.268 0.569 1.00 0.00 C ATOM 538 OG SER A 81 -17.157 -0.673 1.841 1.00 0.00 O ATOM 0 H SER A 81 -16.105 -2.069 -1.653 1.00 0.00 H new ATOM 0 HA SER A 81 -16.029 0.466 -0.276 1.00 0.00 H new ATOM 0 HB2 SER A 81 -17.874 -1.194 -0.016 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.742 -2.329 0.693 1.00 0.00 H new ATOM 0 HG SER A 81 -17.898 -1.122 2.299 1.00 0.00 H new ATOM 544 N GLU A 82 -14.442 -0.240 1.778 1.00 0.00 N ATOM 545 CA GLU A 82 -13.235 -0.323 2.579 1.00 0.00 C ATOM 546 C GLU A 82 -12.843 -1.783 2.787 1.00 0.00 C ATOM 547 O GLU A 82 -11.671 -2.090 2.970 1.00 0.00 O ATOM 548 CB GLU A 82 -13.426 0.389 3.920 1.00 0.00 C ATOM 549 CG GLU A 82 -12.122 0.650 4.657 1.00 0.00 C ATOM 550 CD GLU A 82 -12.313 1.507 5.890 1.00 0.00 C ATOM 551 OE1 GLU A 82 -12.334 2.750 5.761 1.00 0.00 O ATOM 552 OE2 GLU A 82 -12.447 0.943 6.997 1.00 0.00 O ATOM 0 H GLU A 82 -15.219 0.242 2.230 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.427 0.179 2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.935 1.338 3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.078 -0.213 4.553 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.675 -0.301 4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.420 1.141 3.983 1.00 0.00 H new ATOM 559 N GLU A 83 -13.825 -2.685 2.725 1.00 0.00 N ATOM 560 CA GLU A 83 -13.563 -4.126 2.792 1.00 0.00 C ATOM 561 C GLU A 83 -12.517 -4.540 1.764 1.00 0.00 C ATOM 562 O GLU A 83 -11.579 -5.277 2.069 1.00 0.00 O ATOM 563 CB GLU A 83 -14.849 -4.907 2.525 1.00 0.00 C ATOM 564 CG GLU A 83 -15.942 -4.653 3.542 1.00 0.00 C ATOM 565 CD GLU A 83 -15.567 -5.125 4.927 1.00 0.00 C ATOM 566 OE1 GLU A 83 -15.795 -6.310 5.230 1.00 0.00 O ATOM 567 OE2 GLU A 83 -15.044 -4.311 5.717 1.00 0.00 O ATOM 0 H GLU A 83 -14.811 -2.443 2.628 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.190 -4.349 3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.221 -4.648 1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.619 -5.972 2.511 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -16.164 -3.586 3.573 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -16.854 -5.159 3.224 1.00 0.00 H new ATOM 574 N GLU A 84 -12.690 -4.051 0.546 1.00 0.00 N ATOM 575 CA GLU A 84 -11.800 -4.338 -0.541 1.00 0.00 C ATOM 576 C GLU A 84 -10.422 -3.749 -0.254 1.00 0.00 C ATOM 577 O GLU A 84 -9.392 -4.368 -0.526 1.00 0.00 O ATOM 578 CB GLU A 84 -12.422 -3.736 -1.795 1.00 0.00 C ATOM 579 CG GLU A 84 -11.630 -3.945 -3.048 1.00 0.00 C ATOM 580 CD GLU A 84 -11.671 -5.376 -3.541 1.00 0.00 C ATOM 581 OE1 GLU A 84 -12.772 -5.855 -3.891 1.00 0.00 O ATOM 582 OE2 GLU A 84 -10.604 -6.025 -3.603 1.00 0.00 O ATOM 0 H GLU A 84 -13.465 -3.438 0.293 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.662 -5.411 -0.676 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.415 -4.164 -1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.555 -2.665 -1.640 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.013 -3.287 -3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.594 -3.658 -2.869 1.00 0.00 H new ATOM 589 N ILE A 85 -10.419 -2.549 0.317 1.00 0.00 N ATOM 590 CA ILE A 85 -9.190 -1.912 0.757 1.00 0.00 C ATOM 591 C ILE A 85 -8.503 -2.742 1.843 1.00 0.00 C ATOM 592 O ILE A 85 -7.282 -2.888 1.844 1.00 0.00 O ATOM 593 CB ILE A 85 -9.458 -0.491 1.296 1.00 0.00 C ATOM 594 CG1 ILE A 85 -10.072 0.390 0.203 1.00 0.00 C ATOM 595 CG2 ILE A 85 -8.176 0.131 1.831 1.00 0.00 C ATOM 596 CD1 ILE A 85 -9.190 0.552 -1.019 1.00 0.00 C ATOM 0 H ILE A 85 -11.261 -1.998 0.485 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.535 -1.843 -0.111 1.00 0.00 H new ATOM 0 HB ILE A 85 -10.170 -0.564 2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.026 -0.039 -0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.284 1.375 0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.387 1.132 2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.783 -0.485 2.640 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.439 0.191 1.030 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.692 1.188 -1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.245 1.010 -0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.998 -0.426 -1.461 1.00 0.00 H new ATOM 608 N ARG A 86 -9.297 -3.306 2.747 1.00 0.00 N ATOM 609 CA ARG A 86 -8.771 -4.122 3.838 1.00 0.00 C ATOM 610 C ARG A 86 -8.052 -5.344 3.289 1.00 0.00 C ATOM 611 O ARG A 86 -6.944 -5.680 3.725 1.00 0.00 O ATOM 612 CB ARG A 86 -9.906 -4.563 4.767 1.00 0.00 C ATOM 613 CG ARG A 86 -10.607 -3.409 5.464 1.00 0.00 C ATOM 614 CD ARG A 86 -11.842 -3.875 6.218 1.00 0.00 C ATOM 615 NE ARG A 86 -11.511 -4.703 7.375 1.00 0.00 N ATOM 616 CZ ARG A 86 -12.419 -5.268 8.171 1.00 0.00 C ATOM 617 NH1 ARG A 86 -13.712 -5.189 7.880 1.00 0.00 N ATOM 618 NH2 ARG A 86 -12.032 -5.937 9.246 1.00 0.00 N ATOM 0 H ARG A 86 -10.313 -3.213 2.746 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.061 -3.520 4.405 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.639 -5.126 4.189 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.505 -5.241 5.520 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.917 -2.929 6.158 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.892 -2.658 4.727 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.412 -3.006 6.548 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.485 -4.440 5.543 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.525 -4.858 7.587 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.017 -4.693 7.042 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.400 -5.624 8.494 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.039 -6.020 9.465 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.727 -6.369 9.855 1.00 0.00 H new ATOM 632 N GLU A 87 -8.676 -6.002 2.317 1.00 0.00 N ATOM 633 CA GLU A 87 -8.070 -7.168 1.704 1.00 0.00 C ATOM 634 C GLU A 87 -6.827 -6.768 0.923 1.00 0.00 C ATOM 635 O GLU A 87 -5.891 -7.553 0.787 1.00 0.00 O ATOM 636 CB GLU A 87 -9.062 -7.894 0.798 1.00 0.00 C ATOM 637 CG GLU A 87 -8.517 -9.205 0.255 1.00 0.00 C ATOM 638 CD GLU A 87 -9.551 -10.001 -0.504 1.00 0.00 C ATOM 639 OE1 GLU A 87 -9.728 -9.758 -1.713 1.00 0.00 O ATOM 640 OE2 GLU A 87 -10.197 -10.875 0.111 1.00 0.00 O ATOM 0 H GLU A 87 -9.591 -5.748 1.943 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.779 -7.855 2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.978 -8.090 1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.328 -7.244 -0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.672 -8.997 -0.401 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.138 -9.806 1.082 1.00 0.00 H new ATOM 647 N ALA A 88 -6.801 -5.528 0.445 1.00 0.00 N ATOM 648 CA ALA A 88 -5.650 -5.026 -0.278 1.00 0.00 C ATOM 649 C ALA A 88 -4.460 -4.900 0.663 1.00 0.00 C ATOM 650 O ALA A 88 -3.368 -5.352 0.349 1.00 0.00 O ATOM 651 CB ALA A 88 -5.962 -3.686 -0.928 1.00 0.00 C ATOM 0 H ALA A 88 -7.564 -4.858 0.547 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.400 -5.733 -1.069 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.083 -3.329 -1.465 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.791 -3.804 -1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.236 -2.964 -0.159 1.00 0.00 H new ATOM 657 N PHE A 89 -4.687 -4.300 1.826 1.00 0.00 N ATOM 658 CA PHE A 89 -3.642 -4.176 2.840 1.00 0.00 C ATOM 659 C PHE A 89 -3.059 -5.536 3.215 1.00 0.00 C ATOM 660 O PHE A 89 -1.866 -5.647 3.496 1.00 0.00 O ATOM 661 CB PHE A 89 -4.177 -3.465 4.084 1.00 0.00 C ATOM 662 CG PHE A 89 -4.123 -1.966 3.978 1.00 0.00 C ATOM 663 CD1 PHE A 89 -5.027 -1.276 3.189 1.00 0.00 C ATOM 664 CD2 PHE A 89 -3.158 -1.250 4.663 1.00 0.00 C ATOM 665 CE1 PHE A 89 -4.968 0.100 3.085 1.00 0.00 C ATOM 666 CE2 PHE A 89 -3.095 0.125 4.566 1.00 0.00 C ATOM 667 CZ PHE A 89 -4.002 0.801 3.775 1.00 0.00 C ATOM 0 H PHE A 89 -5.583 -3.892 2.092 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.840 -3.576 2.411 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.208 -3.774 4.256 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.600 -3.783 4.953 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.787 -1.820 2.648 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.445 -1.774 5.282 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.678 0.626 2.464 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.337 0.671 5.108 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.955 1.877 3.697 1.00 0.00 H new ATOM 677 N ARG A 90 -3.899 -6.564 3.240 1.00 0.00 N ATOM 678 CA ARG A 90 -3.422 -7.923 3.482 1.00 0.00 C ATOM 679 C ARG A 90 -2.503 -8.414 2.370 1.00 0.00 C ATOM 680 O ARG A 90 -1.416 -8.925 2.635 1.00 0.00 O ATOM 681 CB ARG A 90 -4.585 -8.904 3.591 1.00 0.00 C ATOM 682 CG ARG A 90 -5.447 -8.756 4.831 1.00 0.00 C ATOM 683 CD ARG A 90 -6.538 -9.816 4.843 1.00 0.00 C ATOM 684 NE ARG A 90 -5.987 -11.146 4.581 1.00 0.00 N ATOM 685 CZ ARG A 90 -6.414 -11.958 3.610 1.00 0.00 C ATOM 686 NH1 ARG A 90 -7.472 -11.631 2.876 1.00 0.00 N ATOM 687 NH2 ARG A 90 -5.794 -13.113 3.393 1.00 0.00 N ATOM 0 H ARG A 90 -4.906 -6.486 3.097 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.869 -7.883 4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.219 -8.788 2.712 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.186 -9.918 3.565 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.830 -8.849 5.725 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.895 -7.763 4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.042 -9.812 5.810 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.290 -9.576 4.091 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.228 -11.474 5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.964 -10.755 3.052 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.792 -12.256 2.136 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.994 -13.378 3.967 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.118 -13.735 2.652 1.00 0.00 H new ATOM 701 N VAL A 91 -2.942 -8.247 1.129 1.00 0.00 N ATOM 702 CA VAL A 91 -2.292 -8.894 -0.007 1.00 0.00 C ATOM 703 C VAL A 91 -1.128 -8.065 -0.544 1.00 0.00 C ATOM 704 O VAL A 91 -0.107 -8.612 -0.965 1.00 0.00 O ATOM 705 CB VAL A 91 -3.305 -9.163 -1.147 1.00 0.00 C ATOM 706 CG1 VAL A 91 -2.625 -9.806 -2.352 1.00 0.00 C ATOM 707 CG2 VAL A 91 -4.447 -10.038 -0.647 1.00 0.00 C ATOM 0 H VAL A 91 -3.745 -7.669 0.882 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.898 -9.844 0.355 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.713 -8.204 -1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.363 -9.982 -3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.848 -9.141 -2.729 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.178 -10.755 -2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.150 -10.218 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.049 -10.989 -0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.960 -9.534 0.172 1.00 0.00 H new ATOM 717 N PHE A 92 -1.260 -6.748 -0.475 1.00 0.00 N ATOM 718 CA PHE A 92 -0.291 -5.839 -1.074 1.00 0.00 C ATOM 719 C PHE A 92 0.896 -5.615 -0.151 1.00 0.00 C ATOM 720 O PHE A 92 1.686 -4.695 -0.346 1.00 0.00 O ATOM 721 CB PHE A 92 -0.943 -4.508 -1.458 1.00 0.00 C ATOM 722 CG PHE A 92 -1.758 -4.585 -2.722 1.00 0.00 C ATOM 723 CD1 PHE A 92 -3.030 -5.137 -2.717 1.00 0.00 C ATOM 724 CD2 PHE A 92 -1.243 -4.116 -3.921 1.00 0.00 C ATOM 725 CE1 PHE A 92 -3.771 -5.216 -3.879 1.00 0.00 C ATOM 726 CE2 PHE A 92 -1.980 -4.194 -5.086 1.00 0.00 C ATOM 727 CZ PHE A 92 -3.245 -4.745 -5.065 1.00 0.00 C ATOM 0 H PHE A 92 -2.036 -6.281 -0.006 1.00 0.00 H new ATOM 0 HA PHE A 92 0.078 -6.307 -1.987 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.584 -4.176 -0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.166 -3.753 -1.581 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.446 -5.510 -1.793 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.253 -3.684 -3.944 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.762 -5.646 -3.860 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.567 -3.824 -6.013 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.823 -4.808 -5.975 1.00 0.00 H new ATOM 737 N ASP A 93 1.015 -6.470 0.848 1.00 0.00 N ATOM 738 CA ASP A 93 2.108 -6.397 1.794 1.00 0.00 C ATOM 739 C ASP A 93 2.787 -7.763 1.864 1.00 0.00 C ATOM 740 O ASP A 93 2.129 -8.783 1.661 1.00 0.00 O ATOM 741 CB ASP A 93 1.600 -5.964 3.174 1.00 0.00 C ATOM 742 CG ASP A 93 2.718 -5.819 4.184 1.00 0.00 C ATOM 743 OD1 ASP A 93 3.119 -6.797 4.828 1.00 0.00 O ATOM 744 OD2 ASP A 93 3.213 -4.709 4.383 1.00 0.00 O ATOM 0 H ASP A 93 0.359 -7.231 1.024 1.00 0.00 H new ATOM 0 HA ASP A 93 2.831 -5.651 1.465 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.073 -5.015 3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.879 -6.696 3.538 1.00 0.00 H new ATOM 749 N LYS A 94 4.093 -7.798 2.114 1.00 0.00 N ATOM 750 CA LYS A 94 4.821 -9.067 2.166 1.00 0.00 C ATOM 751 C LYS A 94 4.301 -9.934 3.304 1.00 0.00 C ATOM 752 O LYS A 94 4.038 -11.127 3.136 1.00 0.00 O ATOM 753 CB LYS A 94 6.320 -8.841 2.384 1.00 0.00 C ATOM 754 CG LYS A 94 7.040 -8.156 1.237 1.00 0.00 C ATOM 755 CD LYS A 94 8.519 -8.004 1.552 1.00 0.00 C ATOM 756 CE LYS A 94 9.277 -7.283 0.449 1.00 0.00 C ATOM 757 NZ LYS A 94 10.704 -7.062 0.816 1.00 0.00 N ATOM 0 H LYS A 94 4.667 -6.972 2.283 1.00 0.00 H new ATOM 0 HA LYS A 94 4.664 -9.565 1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.454 -8.244 3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.794 -9.805 2.567 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.915 -8.736 0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.598 -7.176 1.056 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.634 -7.455 2.486 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.958 -8.990 1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.224 -7.866 -0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.800 -6.324 0.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.189 -6.568 0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.755 -6.485 1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.165 -7.979 0.985 1.00 0.00 H new ATOM 771 N ASP A 95 4.151 -9.305 4.455 1.00 0.00 N ATOM 772 CA ASP A 95 3.823 -9.995 5.692 1.00 0.00 C ATOM 773 C ASP A 95 2.418 -9.650 6.188 1.00 0.00 C ATOM 774 O ASP A 95 2.085 -9.913 7.345 1.00 0.00 O ATOM 775 CB ASP A 95 4.872 -9.645 6.760 1.00 0.00 C ATOM 776 CG ASP A 95 5.016 -8.145 7.000 1.00 0.00 C ATOM 777 OD1 ASP A 95 5.255 -7.408 6.027 1.00 0.00 O ATOM 778 OD2 ASP A 95 4.857 -7.680 8.165 1.00 0.00 O ATOM 0 H ASP A 95 4.254 -8.296 4.560 1.00 0.00 H new ATOM 0 HA ASP A 95 3.835 -11.067 5.498 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.601 -10.131 7.697 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.837 -10.051 6.457 1.00 0.00 H new ATOM 783 N GLY A 96 1.598 -9.090 5.290 1.00 0.00 N ATOM 784 CA GLY A 96 0.224 -8.704 5.610 1.00 0.00 C ATOM 785 C GLY A 96 0.060 -8.001 6.951 1.00 0.00 C ATOM 786 O GLY A 96 -0.940 -8.212 7.635 1.00 0.00 O ATOM 0 H GLY A 96 1.869 -8.894 4.327 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.148 -8.048 4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.401 -9.597 5.604 1.00 0.00 H new ATOM 790 N ASN A 97 1.018 -7.156 7.329 1.00 0.00 N ATOM 791 CA ASN A 97 1.001 -6.513 8.648 1.00 0.00 C ATOM 792 C ASN A 97 -0.003 -5.358 8.743 1.00 0.00 C ATOM 793 O ASN A 97 0.135 -4.482 9.595 1.00 0.00 O ATOM 794 CB ASN A 97 2.408 -6.013 9.007 1.00 0.00 C ATOM 795 CG ASN A 97 2.948 -4.987 8.022 1.00 0.00 C ATOM 796 OD1 ASN A 97 3.559 -5.342 7.011 1.00 0.00 O ATOM 797 ND2 ASN A 97 2.749 -3.713 8.315 1.00 0.00 N ATOM 0 H ASN A 97 1.814 -6.899 6.745 1.00 0.00 H new ATOM 0 HA ASN A 97 0.678 -7.271 9.362 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.387 -5.574 10.004 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.089 -6.863 9.047 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.106 -2.985 7.695 1.00 0.00 H new ATOM 0 HD22 ASN A 97 2.239 -3.458 9.161 1.00 0.00 H new ATOM 804 N GLY A 98 -1.009 -5.359 7.878 1.00 0.00 N ATOM 805 CA GLY A 98 -2.054 -4.353 7.962 1.00 0.00 C ATOM 806 C GLY A 98 -1.621 -3.000 7.439 1.00 0.00 C ATOM 807 O GLY A 98 -2.212 -1.979 7.784 1.00 0.00 O ATOM 0 H GLY A 98 -1.121 -6.035 7.122 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.923 -4.693 7.398 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.368 -4.250 9.001 1.00 0.00 H new ATOM 811 N TYR A 99 -0.597 -3.001 6.599 1.00 0.00 N ATOM 812 CA TYR A 99 -0.059 -1.779 6.017 1.00 0.00 C ATOM 813 C TYR A 99 0.513 -2.089 4.650 1.00 0.00 C ATOM 814 O TYR A 99 0.920 -3.215 4.392 1.00 0.00 O ATOM 815 CB TYR A 99 1.023 -1.157 6.909 1.00 0.00 C ATOM 816 CG TYR A 99 0.480 -0.433 8.116 1.00 0.00 C ATOM 817 CD1 TYR A 99 -0.390 0.638 7.974 1.00 0.00 C ATOM 818 CD2 TYR A 99 0.838 -0.822 9.400 1.00 0.00 C ATOM 819 CE1 TYR A 99 -0.890 1.301 9.076 1.00 0.00 C ATOM 820 CE2 TYR A 99 0.346 -0.164 10.507 1.00 0.00 C ATOM 821 CZ TYR A 99 -0.520 0.905 10.336 1.00 0.00 C ATOM 822 OH TYR A 99 -1.019 1.552 11.446 1.00 0.00 O ATOM 0 H TYR A 99 -0.115 -3.849 6.301 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.869 -1.055 5.928 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.700 -1.943 7.243 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.613 -0.460 6.315 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.681 0.958 6.984 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.513 -1.654 9.534 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.571 2.129 8.947 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.633 -0.479 11.499 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.653 1.141 12.257 1.00 0.00 H new ATOM 832 N ILE A 100 0.518 -1.107 3.770 1.00 0.00 N ATOM 833 CA ILE A 100 1.035 -1.297 2.425 1.00 0.00 C ATOM 834 C ILE A 100 2.270 -0.427 2.194 1.00 0.00 C ATOM 835 O ILE A 100 2.189 0.798 2.185 1.00 0.00 O ATOM 836 CB ILE A 100 -0.051 -0.975 1.372 1.00 0.00 C ATOM 837 CG1 ILE A 100 -1.262 -1.894 1.569 1.00 0.00 C ATOM 838 CG2 ILE A 100 0.502 -1.123 -0.036 1.00 0.00 C ATOM 839 CD1 ILE A 100 -2.422 -1.610 0.634 1.00 0.00 C ATOM 0 H ILE A 100 0.170 -0.167 3.961 1.00 0.00 H new ATOM 0 HA ILE A 100 1.323 -2.343 2.317 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.367 0.060 1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.945 -2.928 1.431 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.609 -1.802 2.598 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.279 -0.892 -0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.338 -0.437 -0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.845 -2.147 -0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.235 -2.305 0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.770 -0.588 0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.095 -1.732 -0.399 1.00 0.00 H new ATOM 851 N SER A 101 3.419 -1.063 2.039 1.00 0.00 N ATOM 852 CA SER A 101 4.657 -0.336 1.801 1.00 0.00 C ATOM 853 C SER A 101 5.156 -0.578 0.375 1.00 0.00 C ATOM 854 O SER A 101 4.585 -1.387 -0.355 1.00 0.00 O ATOM 855 CB SER A 101 5.723 -0.733 2.830 1.00 0.00 C ATOM 856 OG SER A 101 6.887 0.071 2.710 1.00 0.00 O ATOM 0 H SER A 101 3.522 -2.077 2.073 1.00 0.00 H new ATOM 0 HA SER A 101 4.459 0.730 1.915 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.314 -0.635 3.836 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.988 -1.782 2.695 1.00 0.00 H new ATOM 0 HG SER A 101 7.546 -0.206 3.380 1.00 0.00 H new ATOM 862 N ALA A 102 6.219 0.109 -0.014 1.00 0.00 N ATOM 863 CA ALA A 102 6.714 0.036 -1.386 1.00 0.00 C ATOM 864 C ALA A 102 7.308 -1.335 -1.697 1.00 0.00 C ATOM 865 O ALA A 102 6.937 -1.969 -2.685 1.00 0.00 O ATOM 866 CB ALA A 102 7.730 1.128 -1.643 1.00 0.00 C ATOM 0 H ALA A 102 6.757 0.723 0.597 1.00 0.00 H new ATOM 0 HA ALA A 102 5.864 0.185 -2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.088 1.058 -2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.265 2.101 -1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.570 1.012 -0.958 1.00 0.00 H new ATOM 872 N ALA A 103 8.258 -1.771 -0.875 1.00 0.00 N ATOM 873 CA ALA A 103 8.824 -3.116 -0.991 1.00 0.00 C ATOM 874 C ALA A 103 7.730 -4.178 -1.051 1.00 0.00 C ATOM 875 O ALA A 103 7.851 -5.183 -1.757 1.00 0.00 O ATOM 876 CB ALA A 103 9.763 -3.386 0.176 1.00 0.00 C ATOM 0 H ALA A 103 8.654 -1.213 -0.119 1.00 0.00 H new ATOM 0 HA ALA A 103 9.386 -3.168 -1.923 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.180 -4.389 0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.571 -2.655 0.169 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.211 -3.308 1.113 1.00 0.00 H new ATOM 882 N GLU A 104 6.656 -3.935 -0.316 1.00 0.00 N ATOM 883 CA GLU A 104 5.516 -4.836 -0.295 1.00 0.00 C ATOM 884 C GLU A 104 4.794 -4.791 -1.629 1.00 0.00 C ATOM 885 O GLU A 104 4.341 -5.816 -2.142 1.00 0.00 O ATOM 886 CB GLU A 104 4.538 -4.419 0.784 1.00 0.00 C ATOM 887 CG GLU A 104 5.195 -3.973 2.088 1.00 0.00 C ATOM 888 CD GLU A 104 6.034 -5.049 2.753 1.00 0.00 C ATOM 889 OE1 GLU A 104 5.489 -5.821 3.585 1.00 0.00 O ATOM 890 OE2 GLU A 104 7.242 -5.116 2.470 1.00 0.00 O ATOM 0 H GLU A 104 6.551 -3.113 0.279 1.00 0.00 H new ATOM 0 HA GLU A 104 5.883 -5.843 -0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.921 -3.604 0.404 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.869 -5.254 0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.825 -3.106 1.888 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.419 -3.650 2.782 1.00 0.00 H new ATOM 897 N LEU A 105 4.701 -3.584 -2.179 1.00 0.00 N ATOM 898 CA LEU A 105 4.046 -3.368 -3.453 1.00 0.00 C ATOM 899 C LEU A 105 4.728 -4.188 -4.529 1.00 0.00 C ATOM 900 O LEU A 105 4.077 -4.903 -5.263 1.00 0.00 O ATOM 901 CB LEU A 105 4.057 -1.883 -3.833 1.00 0.00 C ATOM 902 CG LEU A 105 3.041 -1.018 -3.088 1.00 0.00 C ATOM 903 CD1 LEU A 105 3.249 0.452 -3.417 1.00 0.00 C ATOM 904 CD2 LEU A 105 1.625 -1.451 -3.446 1.00 0.00 C ATOM 0 H LEU A 105 5.077 -2.737 -1.753 1.00 0.00 H new ATOM 0 HA LEU A 105 3.007 -3.686 -3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.055 -1.484 -3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.870 -1.796 -4.903 1.00 0.00 H new ATOM 0 HG LEU A 105 3.187 -1.151 -2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.517 1.053 -2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.254 0.753 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.126 0.606 -4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.908 -0.829 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.471 -1.340 -4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.482 -2.494 -3.165 1.00 0.00 H new ATOM 916 N ARG A 106 6.050 -4.147 -4.569 1.00 0.00 N ATOM 917 CA ARG A 106 6.772 -4.862 -5.611 1.00 0.00 C ATOM 918 C ARG A 106 6.593 -6.365 -5.430 1.00 0.00 C ATOM 919 O ARG A 106 6.395 -7.079 -6.399 1.00 0.00 O ATOM 920 CB ARG A 106 8.248 -4.457 -5.668 1.00 0.00 C ATOM 921 CG ARG A 106 9.235 -5.563 -5.329 1.00 0.00 C ATOM 922 CD ARG A 106 10.668 -5.131 -5.616 1.00 0.00 C ATOM 923 NE ARG A 106 10.815 -4.630 -6.985 1.00 0.00 N ATOM 924 CZ ARG A 106 11.921 -4.060 -7.469 1.00 0.00 C ATOM 925 NH1 ARG A 106 13.014 -3.960 -6.719 1.00 0.00 N ATOM 926 NH2 ARG A 106 11.936 -3.607 -8.716 1.00 0.00 N ATOM 0 H ARG A 106 6.636 -3.638 -3.907 1.00 0.00 H new ATOM 0 HA ARG A 106 6.348 -4.583 -6.576 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.469 -4.089 -6.670 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.407 -3.626 -4.981 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.137 -5.831 -4.277 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.998 -6.455 -5.909 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.963 -4.355 -4.910 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.341 -5.975 -5.462 1.00 0.00 H new ATOM 0 HE ARG A 106 10.016 -4.723 -7.612 1.00 0.00 H new ATOM 0 HH11 ARG A 106 13.013 -4.320 -5.765 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.854 -3.523 -7.098 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.105 -3.695 -9.301 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.779 -3.171 -9.090 1.00 0.00 H new ATOM 940 N HIS A 107 6.625 -6.810 -4.176 1.00 0.00 N ATOM 941 CA HIS A 107 6.336 -8.202 -3.809 1.00 0.00 C ATOM 942 C HIS A 107 5.046 -8.706 -4.450 1.00 0.00 C ATOM 943 O HIS A 107 5.013 -9.774 -5.054 1.00 0.00 O ATOM 944 CB HIS A 107 6.210 -8.303 -2.276 1.00 0.00 C ATOM 945 CG HIS A 107 5.456 -9.511 -1.783 1.00 0.00 C ATOM 946 ND1 HIS A 107 4.181 -9.436 -1.257 1.00 0.00 N ATOM 947 CD2 HIS A 107 5.800 -10.819 -1.732 1.00 0.00 C ATOM 948 CE1 HIS A 107 3.779 -10.645 -0.907 1.00 0.00 C ATOM 949 NE2 HIS A 107 4.741 -11.502 -1.185 1.00 0.00 N ATOM 0 H HIS A 107 6.853 -6.215 -3.379 1.00 0.00 H new ATOM 0 HA HIS A 107 7.155 -8.822 -4.173 1.00 0.00 H new ATOM 0 HB2 HIS A 107 7.210 -8.315 -1.843 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.713 -7.406 -1.906 1.00 0.00 H new ATOM 0 HD2 HIS A 107 6.735 -11.247 -2.061 1.00 0.00 H new ATOM 0 HE1 HIS A 107 2.823 -10.890 -0.467 1.00 0.00 H new ATOM 0 HE2 HIS A 107 4.705 -12.508 -1.021 1.00 0.00 H new ATOM 958 N VAL A 108 3.989 -7.945 -4.267 1.00 0.00 N ATOM 959 CA VAL A 108 2.666 -8.381 -4.672 1.00 0.00 C ATOM 960 C VAL A 108 2.383 -8.031 -6.131 1.00 0.00 C ATOM 961 O VAL A 108 1.798 -8.816 -6.877 1.00 0.00 O ATOM 962 CB VAL A 108 1.582 -7.778 -3.756 1.00 0.00 C ATOM 963 CG1 VAL A 108 1.578 -6.259 -3.837 1.00 0.00 C ATOM 964 CG2 VAL A 108 0.212 -8.344 -4.103 1.00 0.00 C ATOM 0 H VAL A 108 4.018 -7.019 -3.840 1.00 0.00 H new ATOM 0 HA VAL A 108 2.638 -9.466 -4.575 1.00 0.00 H new ATOM 0 HB VAL A 108 1.816 -8.055 -2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.804 -5.862 -3.181 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.550 -5.875 -3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.378 -5.950 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.540 -7.906 -3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.029 -8.105 -5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.222 -9.426 -3.973 1.00 0.00 H new ATOM 974 N MET A 109 2.818 -6.843 -6.509 1.00 0.00 N ATOM 975 CA MET A 109 2.437 -6.232 -7.767 1.00 0.00 C ATOM 976 C MET A 109 3.085 -6.936 -8.958 1.00 0.00 C ATOM 977 O MET A 109 2.391 -7.585 -9.742 1.00 0.00 O ATOM 978 CB MET A 109 2.796 -4.741 -7.723 1.00 0.00 C ATOM 979 CG MET A 109 1.985 -3.870 -8.670 1.00 0.00 C ATOM 980 SD MET A 109 2.395 -4.143 -10.404 1.00 0.00 S ATOM 981 CE MET A 109 1.303 -2.964 -11.191 1.00 0.00 C ATOM 0 H MET A 109 3.450 -6.272 -5.947 1.00 0.00 H new ATOM 0 HA MET A 109 1.361 -6.337 -7.904 1.00 0.00 H new ATOM 0 HB2 MET A 109 2.657 -4.376 -6.705 1.00 0.00 H new ATOM 0 HB3 MET A 109 3.854 -4.628 -7.961 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.924 -4.068 -8.518 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.152 -2.821 -8.424 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.436 -3.010 -12.272 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.269 -3.204 -10.943 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.537 -1.960 -10.839 1.00 0.00 H new ATOM 991 N THR A 110 4.398 -6.807 -9.122 1.00 0.00 N ATOM 992 CA THR A 110 5.052 -7.419 -10.267 1.00 0.00 C ATOM 993 C THR A 110 6.301 -8.235 -9.884 1.00 0.00 C ATOM 994 O THR A 110 6.522 -9.320 -10.430 1.00 0.00 O ATOM 995 CB THR A 110 5.397 -6.353 -11.341 1.00 0.00 C ATOM 996 OG1 THR A 110 5.955 -6.973 -12.506 1.00 0.00 O ATOM 997 CG2 THR A 110 6.358 -5.303 -10.804 1.00 0.00 C ATOM 0 H THR A 110 5.016 -6.296 -8.491 1.00 0.00 H new ATOM 0 HA THR A 110 4.338 -8.127 -10.688 1.00 0.00 H new ATOM 0 HB THR A 110 4.467 -5.853 -11.611 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.165 -6.286 -13.173 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.575 -4.575 -11.585 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.905 -4.797 -9.952 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.284 -5.784 -10.489 1.00 0.00 H new ATOM 1005 N ASN A 111 7.111 -7.739 -8.947 1.00 0.00 N ATOM 1006 CA ASN A 111 8.364 -8.409 -8.599 1.00 0.00 C ATOM 1007 C ASN A 111 8.187 -9.357 -7.427 1.00 0.00 C ATOM 1008 O ASN A 111 7.073 -9.628 -6.986 1.00 0.00 O ATOM 1009 CB ASN A 111 9.464 -7.398 -8.266 1.00 0.00 C ATOM 1010 CG ASN A 111 9.672 -6.349 -9.339 1.00 0.00 C ATOM 1011 OD1 ASN A 111 9.134 -5.246 -9.246 1.00 0.00 O ATOM 1012 ND2 ASN A 111 10.452 -6.676 -10.355 1.00 0.00 N ATOM 0 H ASN A 111 6.925 -6.885 -8.421 1.00 0.00 H new ATOM 0 HA ASN A 111 8.661 -8.985 -9.476 1.00 0.00 H new ATOM 0 HB2 ASN A 111 9.217 -6.901 -7.328 1.00 0.00 H new ATOM 0 HB3 ASN A 111 10.400 -7.933 -8.107 1.00 0.00 H new ATOM 0 HD21 ASN A 111 10.627 -6.003 -11.101 1.00 0.00 H new ATOM 0 HD22 ASN A 111 10.879 -7.602 -10.393 1.00 0.00 H new ATOM 1019 N LEU A 112 9.299 -9.883 -6.952 1.00 0.00 N ATOM 1020 CA LEU A 112 9.289 -10.795 -5.829 1.00 0.00 C ATOM 1021 C LEU A 112 9.588 -10.041 -4.547 1.00 0.00 C ATOM 1022 O LEU A 112 10.459 -9.171 -4.506 1.00 0.00 O ATOM 1023 CB LEU A 112 10.299 -11.934 -6.012 1.00 0.00 C ATOM 1024 CG LEU A 112 9.906 -13.020 -7.025 1.00 0.00 C ATOM 1025 CD1 LEU A 112 9.975 -12.498 -8.453 1.00 0.00 C ATOM 1026 CD2 LEU A 112 10.796 -14.242 -6.859 1.00 0.00 C ATOM 0 H LEU A 112 10.226 -9.691 -7.331 1.00 0.00 H new ATOM 0 HA LEU A 112 8.295 -11.238 -5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 112 11.252 -11.503 -6.321 1.00 0.00 H new ATOM 0 HB3 LEU A 112 10.462 -12.408 -5.044 1.00 0.00 H new ATOM 0 HG LEU A 112 8.873 -13.307 -6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.691 -13.291 -9.144 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.292 -11.656 -8.566 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.992 -12.172 -8.673 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.507 -15.004 -7.583 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.836 -13.960 -7.025 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.684 -14.639 -5.850 1.00 0.00 H new ATOM 1038 N GLY A 113 8.839 -10.362 -3.516 1.00 0.00 N ATOM 1039 CA GLY A 113 9.037 -9.731 -2.228 1.00 0.00 C ATOM 1040 C GLY A 113 9.643 -10.676 -1.218 1.00 0.00 C ATOM 1041 O GLY A 113 9.362 -11.889 -1.302 1.00 0.00 O ATOM 0 H GLY A 113 8.090 -11.053 -3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 113 9.686 -8.863 -2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 113 8.081 -9.366 -1.853 1.00 0.00 H new TER 1045 GLY A 113 HETATM 1046 CA CA A 200 2.653 6.855 5.779 1.00 0.00 CA HETATM 1047 CA CA A 300 4.628 -5.771 5.288 1.00 0.00 CA