USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 414 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 163:sc= -0.139 (180deg=-0.616) USER MOD Single : A 1 MET N :NH3+ 179:sc= 0.835 (180deg=0.825) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.0199 X(o=-0.02,f=-0.078) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 13 GLN : amide:sc= -0.61 K(o=-0.61,f=-1.6) USER MOD Single : A 14 SER OG : rot 41:sc= 0.21 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -132:sc= -0.971 (180deg=-1.94) USER MOD Single : A 22 THR OG1 : rot 73:sc= 0.928 USER MOD Single : A 26 CYS SG : rot 27:sc= -3.72! USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.161 K(o=0.16,f=-0.96) USER MOD Single : A 37 TYR OH : rot -9:sc= 0.155 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 63:sc= 0.674 USER MOD Single : A 51 THR OG1 : rot -3:sc= 0.329 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.327 11.105 -0.816 1.00 0.00 N ATOM 2 CA MET A 1 7.009 10.250 -1.811 1.00 0.00 C ATOM 3 C MET A 1 6.009 9.820 -2.901 1.00 0.00 C ATOM 4 O MET A 1 4.942 9.274 -2.593 1.00 0.00 O ATOM 5 CB MET A 1 7.676 9.030 -1.110 1.00 0.00 C ATOM 6 CG MET A 1 6.729 8.169 -0.266 1.00 0.00 C ATOM 7 SD MET A 1 7.565 6.801 0.551 1.00 0.00 S ATOM 8 CE MET A 1 8.730 7.656 1.613 1.00 0.00 C ATOM 0 H1 MET A 1 7.001 11.379 -0.073 1.00 0.00 H new ATOM 0 H2 MET A 1 5.962 11.959 -1.284 1.00 0.00 H new ATOM 0 H3 MET A 1 5.537 10.579 -0.390 1.00 0.00 H new ATOM 0 HA MET A 1 7.805 10.815 -2.296 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.135 8.399 -1.871 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.480 9.393 -0.470 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.249 8.796 0.486 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.938 7.775 -0.904 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.092 6.972 2.380 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.571 8.012 1.018 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.236 8.504 2.087 1.00 0.00 H new ATOM 20 N LEU A 2 6.356 10.084 -4.183 1.00 0.00 N ATOM 21 CA LEU A 2 5.467 9.785 -5.318 1.00 0.00 C ATOM 22 C LEU A 2 5.548 8.289 -5.652 1.00 0.00 C ATOM 23 O LEU A 2 6.563 7.804 -6.162 1.00 0.00 O ATOM 24 CB LEU A 2 5.826 10.642 -6.565 1.00 0.00 C ATOM 25 CG LEU A 2 4.940 10.404 -7.838 1.00 0.00 C ATOM 26 CD1 LEU A 2 3.468 10.831 -7.608 1.00 0.00 C ATOM 27 CD2 LEU A 2 5.544 11.093 -9.088 1.00 0.00 C ATOM 0 H LEU A 2 7.246 10.503 -4.451 1.00 0.00 H new ATOM 0 HA LEU A 2 4.446 10.039 -5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.758 11.695 -6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.866 10.448 -6.828 1.00 0.00 H new ATOM 0 HG LEU A 2 4.934 9.330 -8.027 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.891 10.649 -8.514 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.046 10.253 -6.786 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.431 11.892 -7.361 1.00 0.00 H new ATOM 0 HD21 LEU A 2 4.904 10.907 -9.951 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.615 12.167 -8.913 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.539 10.691 -9.280 1.00 0.00 H new ATOM 39 N VAL A 3 4.480 7.571 -5.306 1.00 0.00 N ATOM 40 CA VAL A 3 4.306 6.148 -5.628 1.00 0.00 C ATOM 41 C VAL A 3 3.182 6.007 -6.670 1.00 0.00 C ATOM 42 O VAL A 3 2.603 7.006 -7.100 1.00 0.00 O ATOM 43 CB VAL A 3 3.972 5.316 -4.329 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.149 5.369 -3.327 1.00 0.00 C ATOM 45 CG2 VAL A 3 2.658 5.804 -3.666 1.00 0.00 C ATOM 0 H VAL A 3 3.696 7.965 -4.785 1.00 0.00 H new ATOM 0 HA VAL A 3 5.235 5.753 -6.040 1.00 0.00 H new ATOM 0 HB VAL A 3 3.824 4.278 -4.628 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.897 4.789 -2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.042 4.951 -3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.338 6.404 -3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.458 5.210 -2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.759 6.853 -3.388 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.833 5.693 -4.369 1.00 0.00 H new ATOM 55 N THR A 4 2.898 4.773 -7.090 1.00 0.00 N ATOM 56 CA THR A 4 1.809 4.473 -8.037 1.00 0.00 C ATOM 57 C THR A 4 0.761 3.593 -7.337 1.00 0.00 C ATOM 58 O THR A 4 1.048 2.448 -7.019 1.00 0.00 O ATOM 59 CB THR A 4 2.372 3.753 -9.309 1.00 0.00 C ATOM 60 OG1 THR A 4 3.472 4.511 -9.835 1.00 0.00 O ATOM 61 CG2 THR A 4 1.303 3.584 -10.405 1.00 0.00 C ATOM 0 H THR A 4 3.415 3.948 -6.786 1.00 0.00 H new ATOM 0 HA THR A 4 1.341 5.404 -8.358 1.00 0.00 H new ATOM 0 HB THR A 4 2.698 2.757 -9.008 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.828 4.062 -10.630 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.741 3.080 -11.266 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.476 2.988 -10.018 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.934 4.564 -10.707 1.00 0.00 H new ATOM 69 N ILE A 5 -0.437 4.147 -7.068 1.00 0.00 N ATOM 70 CA ILE A 5 -1.524 3.428 -6.372 1.00 0.00 C ATOM 71 C ILE A 5 -2.630 3.064 -7.379 1.00 0.00 C ATOM 72 O ILE A 5 -3.261 3.953 -7.958 1.00 0.00 O ATOM 73 CB ILE A 5 -2.121 4.279 -5.184 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.994 4.653 -4.165 1.00 0.00 C ATOM 75 CG2 ILE A 5 -3.278 3.522 -4.470 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.436 5.518 -2.997 1.00 0.00 C ATOM 0 H ILE A 5 -0.679 5.104 -7.326 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.107 2.517 -5.942 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.535 5.197 -5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.563 3.733 -3.771 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.200 5.173 -4.701 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.667 4.135 -3.657 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.075 3.319 -5.185 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.903 2.581 -4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.582 5.720 -2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.838 6.459 -3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.206 4.996 -2.429 1.00 0.00 H new ATOM 88 N ASN A 6 -2.805 1.744 -7.604 1.00 0.00 N ATOM 89 CA ASN A 6 -3.866 1.158 -8.464 1.00 0.00 C ATOM 90 C ASN A 6 -3.680 1.555 -9.954 1.00 0.00 C ATOM 91 O ASN A 6 -4.629 1.566 -10.746 1.00 0.00 O ATOM 92 CB ASN A 6 -5.280 1.539 -7.905 1.00 0.00 C ATOM 93 CG ASN A 6 -6.416 0.652 -8.439 1.00 0.00 C ATOM 94 OD1 ASN A 6 -7.106 0.997 -9.400 1.00 0.00 O ATOM 95 ND2 ASN A 6 -6.613 -0.499 -7.802 1.00 0.00 N ATOM 0 H ASN A 6 -2.201 1.037 -7.185 1.00 0.00 H new ATOM 0 HA ASN A 6 -3.783 0.072 -8.435 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.260 1.473 -6.817 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -5.493 2.578 -8.158 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.355 -1.129 -8.105 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.022 -0.751 -7.010 1.00 0.00 H new ATOM 102 N GLY A 7 -2.415 1.827 -10.335 1.00 0.00 N ATOM 103 CA GLY A 7 -2.074 2.231 -11.707 1.00 0.00 C ATOM 104 C GLY A 7 -2.134 3.745 -11.920 1.00 0.00 C ATOM 105 O GLY A 7 -1.937 4.231 -13.039 1.00 0.00 O ATOM 0 H GLY A 7 -1.613 1.773 -9.707 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.071 1.876 -11.945 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.758 1.745 -12.403 1.00 0.00 H new ATOM 109 N GLU A 8 -2.405 4.489 -10.834 1.00 0.00 N ATOM 110 CA GLU A 8 -2.477 5.956 -10.835 1.00 0.00 C ATOM 111 C GLU A 8 -1.481 6.511 -9.811 1.00 0.00 C ATOM 112 O GLU A 8 -1.623 6.270 -8.602 1.00 0.00 O ATOM 113 CB GLU A 8 -3.920 6.408 -10.502 1.00 0.00 C ATOM 114 CG GLU A 8 -4.104 7.930 -10.320 1.00 0.00 C ATOM 115 CD GLU A 8 -5.544 8.329 -9.956 1.00 0.00 C ATOM 116 OE1 GLU A 8 -6.084 7.792 -8.957 1.00 0.00 O ATOM 117 OE2 GLU A 8 -6.167 9.141 -10.672 1.00 0.00 O ATOM 0 H GLU A 8 -2.583 4.079 -9.917 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.217 6.341 -11.821 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.583 6.070 -11.299 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.239 5.907 -9.588 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.429 8.280 -9.539 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.816 8.437 -11.241 1.00 0.00 H new ATOM 124 N GLN A 9 -0.461 7.236 -10.301 1.00 0.00 N ATOM 125 CA GLN A 9 0.592 7.802 -9.452 1.00 0.00 C ATOM 126 C GLN A 9 0.036 8.912 -8.541 1.00 0.00 C ATOM 127 O GLN A 9 -0.673 9.820 -8.999 1.00 0.00 O ATOM 128 CB GLN A 9 1.774 8.322 -10.304 1.00 0.00 C ATOM 129 CG GLN A 9 1.410 9.421 -11.323 1.00 0.00 C ATOM 130 CD GLN A 9 2.584 9.855 -12.197 1.00 0.00 C ATOM 131 OE1 GLN A 9 3.484 9.068 -12.490 1.00 0.00 O ATOM 132 NE2 GLN A 9 2.586 11.104 -12.635 1.00 0.00 N ATOM 0 H GLN A 9 -0.347 7.443 -11.293 1.00 0.00 H new ATOM 0 HA GLN A 9 0.967 7.004 -8.812 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.542 8.709 -9.634 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.213 7.481 -10.841 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.605 9.060 -11.963 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.026 10.289 -10.787 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.828 11.736 -12.377 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.346 11.435 -13.230 1.00 0.00 H new ATOM 141 N ARG A 10 0.352 8.795 -7.248 1.00 0.00 N ATOM 142 CA ARG A 10 -0.063 9.743 -6.209 1.00 0.00 C ATOM 143 C ARG A 10 0.998 9.758 -5.088 1.00 0.00 C ATOM 144 O ARG A 10 1.567 8.712 -4.751 1.00 0.00 O ATOM 145 CB ARG A 10 -1.474 9.364 -5.671 1.00 0.00 C ATOM 146 CG ARG A 10 -2.067 10.368 -4.658 1.00 0.00 C ATOM 147 CD ARG A 10 -3.554 10.103 -4.350 1.00 0.00 C ATOM 148 NE ARG A 10 -4.427 10.433 -5.497 1.00 0.00 N ATOM 149 CZ ARG A 10 -5.235 9.573 -6.148 1.00 0.00 C ATOM 150 NH1 ARG A 10 -5.291 8.298 -5.800 1.00 0.00 N ATOM 151 NH2 ARG A 10 -5.992 10.001 -7.136 1.00 0.00 N ATOM 0 H ARG A 10 0.914 8.024 -6.887 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.136 10.748 -6.624 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.158 9.273 -6.515 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.417 8.383 -5.199 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.495 10.321 -3.731 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.957 11.379 -5.050 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.687 9.055 -4.083 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.855 10.693 -3.484 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.417 11.399 -5.825 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.718 7.954 -5.030 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.907 7.659 -6.302 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.967 10.983 -7.409 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.604 9.350 -7.629 1.00 0.00 H new ATOM 165 N GLU A 11 1.265 10.950 -4.531 1.00 0.00 N ATOM 166 CA GLU A 11 2.266 11.132 -3.466 1.00 0.00 C ATOM 167 C GLU A 11 1.653 10.733 -2.113 1.00 0.00 C ATOM 168 O GLU A 11 0.486 11.036 -1.848 1.00 0.00 O ATOM 169 CB GLU A 11 2.766 12.602 -3.416 1.00 0.00 C ATOM 170 CG GLU A 11 1.670 13.653 -3.109 1.00 0.00 C ATOM 171 CD GLU A 11 2.240 15.033 -2.752 1.00 0.00 C ATOM 172 OE1 GLU A 11 2.735 15.194 -1.618 1.00 0.00 O ATOM 173 OE2 GLU A 11 2.227 15.946 -3.599 1.00 0.00 O ATOM 0 H GLU A 11 0.795 11.813 -4.805 1.00 0.00 H new ATOM 0 HA GLU A 11 3.123 10.494 -3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.546 12.680 -2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.226 12.847 -4.373 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.016 13.750 -3.975 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.055 13.296 -2.283 1.00 0.00 H new ATOM 180 N VAL A 12 2.423 10.018 -1.281 1.00 0.00 N ATOM 181 CA VAL A 12 1.987 9.624 0.071 1.00 0.00 C ATOM 182 C VAL A 12 2.997 10.118 1.119 1.00 0.00 C ATOM 183 O VAL A 12 4.209 10.151 0.873 1.00 0.00 O ATOM 184 CB VAL A 12 1.779 8.060 0.180 1.00 0.00 C ATOM 185 CG1 VAL A 12 0.675 7.589 -0.800 1.00 0.00 C ATOM 186 CG2 VAL A 12 3.099 7.266 -0.045 1.00 0.00 C ATOM 0 H VAL A 12 3.361 9.697 -1.522 1.00 0.00 H new ATOM 0 HA VAL A 12 1.023 10.094 0.266 1.00 0.00 H new ATOM 0 HB VAL A 12 1.457 7.849 1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.546 6.510 -0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.263 8.088 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.965 7.837 -1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.900 6.198 0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.490 7.484 -1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.833 7.560 0.706 1.00 0.00 H new ATOM 196 N GLN A 13 2.474 10.503 2.285 1.00 0.00 N ATOM 197 CA GLN A 13 3.264 11.007 3.427 1.00 0.00 C ATOM 198 C GLN A 13 3.594 9.832 4.365 1.00 0.00 C ATOM 199 O GLN A 13 4.563 9.881 5.130 1.00 0.00 O ATOM 200 CB GLN A 13 2.464 12.108 4.182 1.00 0.00 C ATOM 201 CG GLN A 13 2.233 13.428 3.390 1.00 0.00 C ATOM 202 CD GLN A 13 1.354 13.300 2.132 1.00 0.00 C ATOM 203 OE1 GLN A 13 0.434 12.482 2.067 1.00 0.00 O ATOM 204 NE2 GLN A 13 1.619 14.127 1.126 1.00 0.00 N ATOM 0 H GLN A 13 1.472 10.475 2.473 1.00 0.00 H new ATOM 0 HA GLN A 13 4.194 11.449 3.069 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.494 11.699 4.464 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.990 12.346 5.106 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.776 14.157 4.059 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.203 13.829 3.095 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.386 14.795 1.204 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.056 14.094 0.276 1.00 0.00 H new ATOM 213 N SER A 14 2.761 8.781 4.275 1.00 0.00 N ATOM 214 CA SER A 14 2.936 7.537 5.018 1.00 0.00 C ATOM 215 C SER A 14 4.047 6.693 4.367 1.00 0.00 C ATOM 216 O SER A 14 3.873 6.176 3.252 1.00 0.00 O ATOM 217 CB SER A 14 1.601 6.757 5.049 1.00 0.00 C ATOM 218 OG SER A 14 1.072 6.594 3.741 1.00 0.00 O ATOM 0 H SER A 14 1.937 8.779 3.673 1.00 0.00 H new ATOM 0 HA SER A 14 3.230 7.762 6.043 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.758 5.780 5.505 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.881 7.288 5.672 1.00 0.00 H new ATOM 0 HG SER A 14 1.799 6.385 3.118 1.00 0.00 H new ATOM 224 N ALA A 15 5.183 6.581 5.068 1.00 0.00 N ATOM 225 CA ALA A 15 6.341 5.784 4.628 1.00 0.00 C ATOM 226 C ALA A 15 6.259 4.340 5.177 1.00 0.00 C ATOM 227 O ALA A 15 7.281 3.670 5.332 1.00 0.00 O ATOM 228 CB ALA A 15 7.637 6.489 5.066 1.00 0.00 C ATOM 0 H ALA A 15 5.328 7.044 5.965 1.00 0.00 H new ATOM 0 HA ALA A 15 6.338 5.708 3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.497 5.903 4.743 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.683 7.480 4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.650 6.584 6.152 1.00 0.00 H new ATOM 234 N SER A 16 5.024 3.870 5.450 1.00 0.00 N ATOM 235 CA SER A 16 4.742 2.476 5.846 1.00 0.00 C ATOM 236 C SER A 16 3.370 2.046 5.292 1.00 0.00 C ATOM 237 O SER A 16 2.466 2.877 5.172 1.00 0.00 O ATOM 238 CB SER A 16 4.764 2.305 7.377 1.00 0.00 C ATOM 239 OG SER A 16 6.028 2.636 7.923 1.00 0.00 O ATOM 0 H SER A 16 4.188 4.453 5.401 1.00 0.00 H new ATOM 0 HA SER A 16 5.525 1.843 5.428 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.997 2.937 7.825 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.516 1.275 7.632 1.00 0.00 H new ATOM 0 HG SER A 16 6.005 2.518 8.896 1.00 0.00 H new ATOM 245 N VAL A 17 3.229 0.739 4.993 1.00 0.00 N ATOM 246 CA VAL A 17 2.029 0.159 4.352 1.00 0.00 C ATOM 247 C VAL A 17 0.808 0.156 5.303 1.00 0.00 C ATOM 248 O VAL A 17 -0.317 0.387 4.854 1.00 0.00 O ATOM 249 CB VAL A 17 2.332 -1.294 3.813 1.00 0.00 C ATOM 250 CG1 VAL A 17 1.068 -1.996 3.256 1.00 0.00 C ATOM 251 CG2 VAL A 17 3.453 -1.256 2.739 1.00 0.00 C ATOM 0 H VAL A 17 3.952 0.048 5.192 1.00 0.00 H new ATOM 0 HA VAL A 17 1.772 0.795 3.505 1.00 0.00 H new ATOM 0 HB VAL A 17 2.675 -1.883 4.664 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.332 -2.991 2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.321 -2.080 4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.660 -1.411 2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.647 -2.267 2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.137 -0.629 1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.363 -0.845 3.177 1.00 0.00 H new ATOM 261 N ALA A 18 1.035 -0.084 6.609 1.00 0.00 N ATOM 262 CA ALA A 18 -0.048 -0.032 7.627 1.00 0.00 C ATOM 263 C ALA A 18 -0.631 1.379 7.717 1.00 0.00 C ATOM 264 O ALA A 18 -1.840 1.574 7.559 1.00 0.00 O ATOM 265 CB ALA A 18 0.457 -0.477 9.005 1.00 0.00 C ATOM 0 H ALA A 18 1.953 -0.315 6.989 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.830 -0.723 7.311 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.360 -0.427 9.725 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.825 -1.501 8.944 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.265 0.180 9.326 1.00 0.00 H new ATOM 271 N ALA A 19 0.274 2.349 7.943 1.00 0.00 N ATOM 272 CA ALA A 19 -0.068 3.782 8.039 1.00 0.00 C ATOM 273 C ALA A 19 -0.721 4.295 6.737 1.00 0.00 C ATOM 274 O ALA A 19 -1.578 5.179 6.770 1.00 0.00 O ATOM 275 CB ALA A 19 1.196 4.590 8.384 1.00 0.00 C ATOM 0 H ALA A 19 1.269 2.161 8.065 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.801 3.914 8.835 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.943 5.648 8.455 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.597 4.248 9.338 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.944 4.447 7.604 1.00 0.00 H new ATOM 281 N LEU A 20 -0.308 3.700 5.602 1.00 0.00 N ATOM 282 CA LEU A 20 -0.855 4.006 4.270 1.00 0.00 C ATOM 283 C LEU A 20 -2.316 3.554 4.155 1.00 0.00 C ATOM 284 O LEU A 20 -3.185 4.348 3.809 1.00 0.00 O ATOM 285 CB LEU A 20 0.008 3.332 3.172 1.00 0.00 C ATOM 286 CG LEU A 20 -0.484 3.501 1.702 1.00 0.00 C ATOM 287 CD1 LEU A 20 -0.560 4.989 1.298 1.00 0.00 C ATOM 288 CD2 LEU A 20 0.401 2.690 0.737 1.00 0.00 C ATOM 0 H LEU A 20 0.421 2.987 5.586 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.827 5.087 4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.020 3.730 3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.069 2.266 3.392 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.497 3.105 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.906 5.069 0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.256 5.510 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.428 5.440 1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.041 2.821 -0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.431 3.040 0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.358 1.634 1.004 1.00 0.00 H new ATOM 300 N MET A 21 -2.575 2.273 4.468 1.00 0.00 N ATOM 301 CA MET A 21 -3.923 1.683 4.339 1.00 0.00 C ATOM 302 C MET A 21 -4.883 2.261 5.387 1.00 0.00 C ATOM 303 O MET A 21 -6.088 2.247 5.196 1.00 0.00 O ATOM 304 CB MET A 21 -3.879 0.135 4.436 1.00 0.00 C ATOM 305 CG MET A 21 -3.059 -0.538 3.325 1.00 0.00 C ATOM 306 SD MET A 21 -3.324 -2.317 3.231 1.00 0.00 S ATOM 307 CE MET A 21 -5.031 -2.390 2.686 1.00 0.00 C ATOM 0 H MET A 21 -1.868 1.623 4.813 1.00 0.00 H new ATOM 0 HA MET A 21 -4.297 1.946 3.350 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.461 -0.146 5.403 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.898 -0.250 4.405 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.317 -0.087 2.367 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.000 -0.343 3.494 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.582 -3.096 3.308 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.483 -1.402 2.771 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.068 -2.717 1.647 1.00 0.00 H new ATOM 317 N THR A 22 -4.338 2.774 6.494 1.00 0.00 N ATOM 318 CA THR A 22 -5.133 3.510 7.492 1.00 0.00 C ATOM 319 C THR A 22 -5.451 4.929 6.973 1.00 0.00 C ATOM 320 O THR A 22 -6.549 5.447 7.186 1.00 0.00 O ATOM 321 CB THR A 22 -4.400 3.561 8.873 1.00 0.00 C ATOM 322 OG1 THR A 22 -4.028 2.229 9.251 1.00 0.00 O ATOM 323 CG2 THR A 22 -5.286 4.165 9.986 1.00 0.00 C ATOM 0 H THR A 22 -3.348 2.695 6.725 1.00 0.00 H new ATOM 0 HA THR A 22 -6.073 2.980 7.645 1.00 0.00 H new ATOM 0 HB THR A 22 -3.524 4.200 8.760 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.282 1.926 8.692 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.732 4.178 10.925 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.567 5.183 9.716 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.185 3.560 10.104 1.00 0.00 H new ATOM 331 N GLU A 23 -4.495 5.518 6.233 1.00 0.00 N ATOM 332 CA GLU A 23 -4.642 6.865 5.640 1.00 0.00 C ATOM 333 C GLU A 23 -5.683 6.850 4.497 1.00 0.00 C ATOM 334 O GLU A 23 -6.405 7.830 4.291 1.00 0.00 O ATOM 335 CB GLU A 23 -3.264 7.385 5.127 1.00 0.00 C ATOM 336 CG GLU A 23 -3.244 8.864 4.699 1.00 0.00 C ATOM 337 CD GLU A 23 -3.628 9.817 5.843 1.00 0.00 C ATOM 338 OE1 GLU A 23 -2.764 10.129 6.687 1.00 0.00 O ATOM 339 OE2 GLU A 23 -4.797 10.248 5.911 1.00 0.00 O ATOM 0 H GLU A 23 -3.599 5.077 6.028 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.001 7.545 6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.523 7.240 5.913 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.954 6.773 4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.248 9.120 4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.932 9.006 3.866 1.00 0.00 H new ATOM 346 N LEU A 24 -5.766 5.707 3.785 1.00 0.00 N ATOM 347 CA LEU A 24 -6.686 5.523 2.642 1.00 0.00 C ATOM 348 C LEU A 24 -8.042 4.939 3.082 1.00 0.00 C ATOM 349 O LEU A 24 -8.891 4.662 2.228 1.00 0.00 O ATOM 350 CB LEU A 24 -6.023 4.599 1.585 1.00 0.00 C ATOM 351 CG LEU A 24 -4.630 5.058 1.051 1.00 0.00 C ATOM 352 CD1 LEU A 24 -4.072 4.072 0.002 1.00 0.00 C ATOM 353 CD2 LEU A 24 -4.670 6.507 0.509 1.00 0.00 C ATOM 0 H LEU A 24 -5.197 4.885 3.986 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.881 6.503 2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.914 3.605 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.702 4.505 0.737 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.944 5.054 1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.101 4.424 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.960 3.086 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.760 4.009 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.681 6.788 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.387 6.570 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.970 7.186 1.307 1.00 0.00 H new ATOM 365 N ASP A 25 -8.225 4.740 4.412 1.00 0.00 N ATOM 366 CA ASP A 25 -9.461 4.169 5.022 1.00 0.00 C ATOM 367 C ASP A 25 -9.685 2.704 4.600 1.00 0.00 C ATOM 368 O ASP A 25 -10.783 2.161 4.726 1.00 0.00 O ATOM 369 CB ASP A 25 -10.719 5.031 4.715 1.00 0.00 C ATOM 370 CG ASP A 25 -10.607 6.467 5.242 1.00 0.00 C ATOM 371 OD1 ASP A 25 -10.564 6.655 6.474 1.00 0.00 O ATOM 372 OD2 ASP A 25 -10.559 7.410 4.430 1.00 0.00 O ATOM 0 H ASP A 25 -7.512 4.973 5.103 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.307 4.186 6.101 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.880 5.057 3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.595 4.555 5.157 1.00 0.00 H new ATOM 377 N CYS A 26 -8.601 2.057 4.179 1.00 0.00 N ATOM 378 CA CYS A 26 -8.596 0.681 3.679 1.00 0.00 C ATOM 379 C CYS A 26 -8.295 -0.311 4.821 1.00 0.00 C ATOM 380 O CYS A 26 -7.622 -1.326 4.614 1.00 0.00 O ATOM 381 CB CYS A 26 -7.530 0.586 2.569 1.00 0.00 C ATOM 382 SG CYS A 26 -7.773 1.776 1.236 1.00 0.00 S ATOM 0 H CYS A 26 -7.675 2.486 4.175 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.575 0.420 3.278 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.544 0.740 3.008 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.539 -0.421 2.153 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.397 2.820 1.695 1.00 0.00 H new ATOM 439 N TYR A 31 -9.674 -5.517 3.970 1.00 0.00 N ATOM 440 CA TYR A 31 -8.968 -5.123 2.731 1.00 0.00 C ATOM 441 C TYR A 31 -7.556 -5.725 2.735 1.00 0.00 C ATOM 442 O TYR A 31 -7.010 -6.051 3.796 1.00 0.00 O ATOM 443 CB TYR A 31 -8.888 -3.573 2.595 1.00 0.00 C ATOM 444 CG TYR A 31 -10.258 -2.874 2.616 1.00 0.00 C ATOM 445 CD1 TYR A 31 -10.888 -2.568 3.826 1.00 0.00 C ATOM 446 CD2 TYR A 31 -10.916 -2.532 1.433 1.00 0.00 C ATOM 447 CE1 TYR A 31 -12.117 -1.961 3.851 1.00 0.00 C ATOM 448 CE2 TYR A 31 -12.150 -1.918 1.461 1.00 0.00 C ATOM 449 CZ TYR A 31 -12.742 -1.631 2.673 1.00 0.00 C ATOM 450 OH TYR A 31 -13.968 -1.016 2.709 1.00 0.00 O ATOM 0 HA TYR A 31 -9.528 -5.504 1.877 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.277 -3.178 3.407 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.379 -3.326 1.663 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.398 -2.814 4.757 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.452 -2.752 0.483 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.593 -1.743 4.795 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.650 -1.663 0.539 1.00 0.00 H new ATOM 0 HH TYR A 31 -14.276 -0.847 1.794 1.00 0.00 H new ATOM 460 N ALA A 32 -6.985 -5.879 1.542 1.00 0.00 N ATOM 461 CA ALA A 32 -5.608 -6.360 1.345 1.00 0.00 C ATOM 462 C ALA A 32 -4.845 -5.331 0.502 1.00 0.00 C ATOM 463 O ALA A 32 -5.431 -4.362 0.004 1.00 0.00 O ATOM 464 CB ALA A 32 -5.616 -7.753 0.676 1.00 0.00 C ATOM 0 H ALA A 32 -7.469 -5.672 0.668 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.106 -6.469 2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.591 -8.096 0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.151 -8.459 1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.112 -7.689 -0.293 1.00 0.00 H new ATOM 470 N VAL A 33 -3.539 -5.533 0.372 1.00 0.00 N ATOM 471 CA VAL A 33 -2.661 -4.669 -0.428 1.00 0.00 C ATOM 472 C VAL A 33 -1.728 -5.553 -1.264 1.00 0.00 C ATOM 473 O VAL A 33 -1.288 -6.603 -0.799 1.00 0.00 O ATOM 474 CB VAL A 33 -1.830 -3.691 0.496 1.00 0.00 C ATOM 475 CG1 VAL A 33 -0.978 -4.470 1.521 1.00 0.00 C ATOM 476 CG2 VAL A 33 -0.955 -2.699 -0.321 1.00 0.00 C ATOM 0 H VAL A 33 -3.049 -6.307 0.821 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.268 -4.050 -1.089 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.557 -3.093 1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.420 -3.767 2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.630 -5.072 2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.281 -5.122 0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.406 -2.051 0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.250 -3.258 -0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.595 -2.092 -0.962 1.00 0.00 H new ATOM 486 N ALA A 34 -1.487 -5.147 -2.516 1.00 0.00 N ATOM 487 CA ALA A 34 -0.480 -5.742 -3.391 1.00 0.00 C ATOM 488 C ALA A 34 0.646 -4.721 -3.585 1.00 0.00 C ATOM 489 O ALA A 34 0.455 -3.695 -4.251 1.00 0.00 O ATOM 490 CB ALA A 34 -1.116 -6.147 -4.732 1.00 0.00 C ATOM 0 H ALA A 34 -1.998 -4.381 -2.954 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.069 -6.648 -2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.356 -6.589 -5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.909 -6.874 -4.554 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.534 -5.265 -5.217 1.00 0.00 H new ATOM 496 N LEU A 35 1.787 -4.967 -2.928 1.00 0.00 N ATOM 497 CA LEU A 35 3.005 -4.172 -3.108 1.00 0.00 C ATOM 498 C LEU A 35 3.862 -4.843 -4.193 1.00 0.00 C ATOM 499 O LEU A 35 4.296 -5.996 -4.026 1.00 0.00 O ATOM 500 CB LEU A 35 3.796 -4.049 -1.778 1.00 0.00 C ATOM 501 CG LEU A 35 5.090 -3.172 -1.830 1.00 0.00 C ATOM 502 CD1 LEU A 35 4.780 -1.715 -2.241 1.00 0.00 C ATOM 503 CD2 LEU A 35 5.878 -3.226 -0.492 1.00 0.00 C ATOM 0 H LEU A 35 1.890 -5.726 -2.255 1.00 0.00 H new ATOM 0 HA LEU A 35 2.740 -3.161 -3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.131 -3.636 -1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.072 -5.051 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 35 5.730 -3.599 -2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.705 -1.139 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.321 -1.706 -3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.095 -1.271 -1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.770 -2.604 -0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.247 -2.857 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.171 -4.255 -0.283 1.00 0.00 H new ATOM 515 N ASN A 36 4.036 -4.122 -5.311 1.00 0.00 N ATOM 516 CA ASN A 36 4.836 -4.546 -6.472 1.00 0.00 C ATOM 517 C ASN A 36 4.332 -5.886 -7.056 1.00 0.00 C ATOM 518 O ASN A 36 5.124 -6.705 -7.529 1.00 0.00 O ATOM 519 CB ASN A 36 6.351 -4.591 -6.105 1.00 0.00 C ATOM 520 CG ASN A 36 6.906 -3.234 -5.656 1.00 0.00 C ATOM 521 OD1 ASN A 36 6.450 -2.174 -6.103 1.00 0.00 O ATOM 522 ND2 ASN A 36 7.901 -3.255 -4.782 1.00 0.00 N ATOM 0 H ASN A 36 3.613 -3.202 -5.437 1.00 0.00 H new ATOM 0 HA ASN A 36 4.711 -3.804 -7.261 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.504 -5.320 -5.309 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.917 -4.940 -6.969 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.314 -2.380 -4.458 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.254 -4.146 -4.433 1.00 0.00 H new ATOM 529 N TYR A 37 2.989 -6.051 -7.056 1.00 0.00 N ATOM 530 CA TYR A 37 2.276 -7.223 -7.626 1.00 0.00 C ATOM 531 C TYR A 37 2.451 -8.494 -6.757 1.00 0.00 C ATOM 532 O TYR A 37 2.427 -9.616 -7.273 1.00 0.00 O ATOM 533 CB TYR A 37 2.667 -7.488 -9.125 1.00 0.00 C ATOM 534 CG TYR A 37 2.350 -6.320 -10.080 1.00 0.00 C ATOM 535 CD1 TYR A 37 3.235 -5.251 -10.231 1.00 0.00 C ATOM 536 CD2 TYR A 37 1.163 -6.285 -10.814 1.00 0.00 C ATOM 537 CE1 TYR A 37 2.952 -4.201 -11.071 1.00 0.00 C ATOM 538 CE2 TYR A 37 0.880 -5.234 -11.658 1.00 0.00 C ATOM 539 CZ TYR A 37 1.778 -4.192 -11.781 1.00 0.00 C ATOM 540 OH TYR A 37 1.504 -3.149 -12.632 1.00 0.00 O ATOM 0 H TYR A 37 2.356 -5.361 -6.652 1.00 0.00 H new ATOM 0 HA TYR A 37 1.216 -6.971 -7.614 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.734 -7.705 -9.177 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.143 -8.378 -9.473 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.161 -5.249 -9.676 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.455 -7.095 -10.718 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.652 -3.385 -11.172 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.041 -5.225 -12.222 1.00 0.00 H new ATOM 0 HH TYR A 37 2.168 -2.439 -12.504 1.00 0.00 H new ATOM 550 N ASP A 38 2.602 -8.302 -5.426 1.00 0.00 N ATOM 551 CA ASP A 38 2.550 -9.398 -4.423 1.00 0.00 C ATOM 552 C ASP A 38 1.735 -8.942 -3.210 1.00 0.00 C ATOM 553 O ASP A 38 1.998 -7.867 -2.654 1.00 0.00 O ATOM 554 CB ASP A 38 3.970 -9.874 -3.980 1.00 0.00 C ATOM 555 CG ASP A 38 4.596 -10.912 -4.929 1.00 0.00 C ATOM 556 OD1 ASP A 38 3.925 -11.914 -5.247 1.00 0.00 O ATOM 557 OD2 ASP A 38 5.766 -10.764 -5.320 1.00 0.00 O ATOM 0 H ASP A 38 2.764 -7.383 -5.014 1.00 0.00 H new ATOM 0 HA ASP A 38 2.067 -10.254 -4.894 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.630 -9.009 -3.915 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.905 -10.301 -2.979 1.00 0.00 H new ATOM 562 N VAL A 39 0.744 -9.768 -2.808 1.00 0.00 N ATOM 563 CA VAL A 39 -0.165 -9.449 -1.704 1.00 0.00 C ATOM 564 C VAL A 39 0.561 -9.550 -0.350 1.00 0.00 C ATOM 565 O VAL A 39 1.011 -10.628 0.055 1.00 0.00 O ATOM 566 CB VAL A 39 -1.441 -10.369 -1.692 1.00 0.00 C ATOM 567 CG1 VAL A 39 -2.419 -9.961 -0.556 1.00 0.00 C ATOM 568 CG2 VAL A 39 -2.144 -10.363 -3.072 1.00 0.00 C ATOM 0 H VAL A 39 0.559 -10.671 -3.244 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.497 -8.423 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.115 -11.389 -1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.291 -10.615 -0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.917 -10.052 0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.737 -8.929 -0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.023 -11.007 -3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.449 -9.347 -3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.456 -10.731 -3.833 1.00 0.00 H new ATOM 578 N VAL A 40 0.647 -8.408 0.332 1.00 0.00 N ATOM 579 CA VAL A 40 1.255 -8.289 1.653 1.00 0.00 C ATOM 580 C VAL A 40 0.162 -8.607 2.701 1.00 0.00 C ATOM 581 O VAL A 40 -0.899 -7.962 2.689 1.00 0.00 O ATOM 582 CB VAL A 40 1.854 -6.845 1.887 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.627 -6.755 3.224 1.00 0.00 C ATOM 584 CG2 VAL A 40 2.737 -6.405 0.692 1.00 0.00 C ATOM 0 H VAL A 40 0.288 -7.523 -0.027 1.00 0.00 H new ATOM 0 HA VAL A 40 2.086 -8.989 1.742 1.00 0.00 H new ATOM 0 HB VAL A 40 1.016 -6.151 1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.023 -5.747 3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.954 -6.984 4.050 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.450 -7.470 3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.135 -5.408 0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.561 -7.108 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.137 -6.389 -0.218 1.00 0.00 H new ATOM 594 N PRO A 41 0.364 -9.649 3.566 1.00 0.00 N ATOM 595 CA PRO A 41 -0.540 -9.930 4.701 1.00 0.00 C ATOM 596 C PRO A 41 -0.438 -8.833 5.785 1.00 0.00 C ATOM 597 O PRO A 41 0.594 -8.152 5.893 1.00 0.00 O ATOM 598 CB PRO A 41 -0.052 -11.303 5.217 1.00 0.00 C ATOM 599 CG PRO A 41 1.378 -11.392 4.796 1.00 0.00 C ATOM 600 CD PRO A 41 1.471 -10.644 3.489 1.00 0.00 C ATOM 0 HA PRO A 41 -1.593 -9.942 4.418 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.149 -11.374 6.300 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.640 -12.116 4.790 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.034 -10.951 5.546 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.686 -12.431 4.675 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.439 -10.156 3.376 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.349 -11.312 2.637 1.00 0.00 H new ATOM 608 N ARG A 42 -1.518 -8.691 6.578 1.00 0.00 N ATOM 609 CA ARG A 42 -1.672 -7.614 7.577 1.00 0.00 C ATOM 610 C ARG A 42 -0.572 -7.635 8.650 1.00 0.00 C ATOM 611 O ARG A 42 -0.163 -6.577 9.149 1.00 0.00 O ATOM 612 CB ARG A 42 -3.075 -7.644 8.215 1.00 0.00 C ATOM 613 CG ARG A 42 -3.387 -8.879 9.082 1.00 0.00 C ATOM 614 CD ARG A 42 -4.804 -8.830 9.639 1.00 0.00 C ATOM 615 NE ARG A 42 -5.031 -7.620 10.449 1.00 0.00 N ATOM 616 CZ ARG A 42 -6.222 -7.140 10.812 1.00 0.00 C ATOM 617 NH1 ARG A 42 -7.344 -7.759 10.457 1.00 0.00 N ATOM 618 NH2 ARG A 42 -6.285 -6.015 11.497 1.00 0.00 N ATOM 0 H ARG A 42 -2.315 -9.326 6.543 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.561 -6.673 7.039 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.194 -6.752 8.830 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.818 -7.584 7.419 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.261 -9.783 8.487 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.674 -8.936 9.904 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.519 -8.857 8.817 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.986 -9.715 10.249 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.207 -7.105 10.759 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.301 -8.612 9.900 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.247 -7.380 10.742 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.428 -5.520 11.745 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.191 -5.640 11.779 1.00 0.00 H new ATOM 632 N GLY A 43 -0.093 -8.851 8.973 1.00 0.00 N ATOM 633 CA GLY A 43 0.986 -9.066 9.947 1.00 0.00 C ATOM 634 C GLY A 43 2.347 -8.515 9.518 1.00 0.00 C ATOM 635 O GLY A 43 3.316 -8.573 10.289 1.00 0.00 O ATOM 0 H GLY A 43 -0.448 -9.714 8.562 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.702 -8.603 10.892 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.083 -10.136 10.132 1.00 0.00 H new ATOM 639 N LYS A 44 2.431 -8.003 8.276 1.00 0.00 N ATOM 640 CA LYS A 44 3.646 -7.374 7.730 1.00 0.00 C ATOM 641 C LYS A 44 3.482 -5.857 7.584 1.00 0.00 C ATOM 642 O LYS A 44 4.478 -5.159 7.653 1.00 0.00 O ATOM 643 CB LYS A 44 4.021 -7.982 6.355 1.00 0.00 C ATOM 644 CG LYS A 44 4.406 -9.472 6.379 1.00 0.00 C ATOM 645 CD LYS A 44 4.979 -9.939 5.028 1.00 0.00 C ATOM 646 CE LYS A 44 5.401 -11.410 5.051 1.00 0.00 C ATOM 647 NZ LYS A 44 5.982 -11.820 3.759 1.00 0.00 N ATOM 0 H LYS A 44 1.651 -8.015 7.619 1.00 0.00 H new ATOM 0 HA LYS A 44 4.448 -7.572 8.441 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.178 -7.852 5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.854 -7.415 5.940 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.142 -9.644 7.164 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.529 -10.070 6.627 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.232 -9.790 4.248 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.838 -9.321 4.768 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.129 -11.570 5.847 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.537 -12.035 5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.259 -12.822 3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.278 -11.689 3.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.820 -11.239 3.555 1.00 0.00 H new ATOM 661 N TRP A 45 2.227 -5.358 7.425 1.00 0.00 N ATOM 662 CA TRP A 45 1.949 -3.947 7.009 1.00 0.00 C ATOM 663 C TRP A 45 2.751 -2.891 7.816 1.00 0.00 C ATOM 664 O TRP A 45 3.303 -1.946 7.230 1.00 0.00 O ATOM 665 CB TRP A 45 0.431 -3.626 7.108 1.00 0.00 C ATOM 666 CG TRP A 45 -0.466 -4.358 6.148 1.00 0.00 C ATOM 667 CD1 TRP A 45 -0.101 -5.175 5.115 1.00 0.00 C ATOM 668 CD2 TRP A 45 -1.903 -4.309 6.127 1.00 0.00 C ATOM 669 NE1 TRP A 45 -1.212 -5.663 4.489 1.00 0.00 N ATOM 670 CE2 TRP A 45 -2.325 -5.140 5.074 1.00 0.00 C ATOM 671 CE3 TRP A 45 -2.868 -3.650 6.898 1.00 0.00 C ATOM 672 CZ2 TRP A 45 -3.663 -5.343 4.778 1.00 0.00 C ATOM 673 CZ3 TRP A 45 -4.202 -3.847 6.600 1.00 0.00 C ATOM 674 CH2 TRP A 45 -4.587 -4.686 5.542 1.00 0.00 C ATOM 0 H TRP A 45 1.384 -5.912 7.579 1.00 0.00 H new ATOM 0 HA TRP A 45 2.279 -3.880 5.972 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.100 -3.847 8.123 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.296 -2.555 6.954 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.917 -5.401 4.835 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.209 -6.317 3.706 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.575 -3.001 7.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -3.965 -5.996 3.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -4.959 -3.349 7.188 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.637 -4.815 5.327 1.00 0.00 H new ATOM 685 N ASP A 46 2.784 -3.053 9.156 1.00 0.00 N ATOM 686 CA ASP A 46 3.533 -2.144 10.065 1.00 0.00 C ATOM 687 C ASP A 46 5.031 -2.233 9.789 1.00 0.00 C ATOM 688 O ASP A 46 5.706 -1.218 9.634 1.00 0.00 O ATOM 689 CB ASP A 46 3.273 -2.486 11.559 1.00 0.00 C ATOM 690 CG ASP A 46 1.807 -2.343 11.972 1.00 0.00 C ATOM 691 OD1 ASP A 46 0.985 -3.195 11.577 1.00 0.00 O ATOM 692 OD2 ASP A 46 1.464 -1.384 12.689 1.00 0.00 O ATOM 0 H ASP A 46 2.299 -3.809 9.640 1.00 0.00 H new ATOM 0 HA ASP A 46 3.179 -1.131 9.872 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.598 -3.508 11.751 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.883 -1.834 12.184 1.00 0.00 H new ATOM 697 N GLU A 47 5.516 -3.474 9.704 1.00 0.00 N ATOM 698 CA GLU A 47 6.939 -3.797 9.508 1.00 0.00 C ATOM 699 C GLU A 47 7.401 -3.556 8.054 1.00 0.00 C ATOM 700 O GLU A 47 8.600 -3.581 7.776 1.00 0.00 O ATOM 701 CB GLU A 47 7.165 -5.276 9.894 1.00 0.00 C ATOM 702 CG GLU A 47 6.885 -5.593 11.374 1.00 0.00 C ATOM 703 CD GLU A 47 6.910 -7.090 11.693 1.00 0.00 C ATOM 704 OE1 GLU A 47 7.976 -7.725 11.536 1.00 0.00 O ATOM 705 OE2 GLU A 47 5.858 -7.656 12.077 1.00 0.00 O ATOM 0 H GLU A 47 4.923 -4.301 9.770 1.00 0.00 H new ATOM 0 HA GLU A 47 7.531 -3.137 10.142 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.526 -5.903 9.273 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.196 -5.546 9.665 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.625 -5.085 11.992 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.910 -5.188 11.646 1.00 0.00 H new ATOM 712 N THR A 48 6.442 -3.328 7.137 1.00 0.00 N ATOM 713 CA THR A 48 6.715 -3.116 5.709 1.00 0.00 C ATOM 714 C THR A 48 6.634 -1.607 5.406 1.00 0.00 C ATOM 715 O THR A 48 5.557 -1.017 5.526 1.00 0.00 O ATOM 716 CB THR A 48 5.693 -3.902 4.815 1.00 0.00 C ATOM 717 OG1 THR A 48 5.717 -5.292 5.168 1.00 0.00 O ATOM 718 CG2 THR A 48 5.992 -3.770 3.309 1.00 0.00 C ATOM 0 H THR A 48 5.450 -3.286 7.371 1.00 0.00 H new ATOM 0 HA THR A 48 7.712 -3.490 5.479 1.00 0.00 H new ATOM 0 HB THR A 48 4.711 -3.466 4.999 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.423 -5.399 6.097 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.253 -4.334 2.740 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.948 -2.720 3.020 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.987 -4.162 3.100 1.00 0.00 H new ATOM 726 N PRO A 49 7.781 -0.940 5.059 1.00 0.00 N ATOM 727 CA PRO A 49 7.770 0.478 4.662 1.00 0.00 C ATOM 728 C PRO A 49 7.278 0.698 3.212 1.00 0.00 C ATOM 729 O PRO A 49 7.040 -0.249 2.454 1.00 0.00 O ATOM 730 CB PRO A 49 9.249 0.892 4.844 1.00 0.00 C ATOM 731 CG PRO A 49 10.026 -0.358 4.569 1.00 0.00 C ATOM 732 CD PRO A 49 9.166 -1.496 5.083 1.00 0.00 C ATOM 0 HA PRO A 49 7.075 1.073 5.254 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.525 1.690 4.155 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.436 1.262 5.852 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.226 -0.469 3.503 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.992 -0.338 5.074 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.253 -2.379 4.450 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.459 -1.795 6.089 1.00 0.00 H new ATOM 740 N VAL A 50 7.084 1.978 2.878 1.00 0.00 N ATOM 741 CA VAL A 50 6.773 2.462 1.522 1.00 0.00 C ATOM 742 C VAL A 50 7.894 3.411 1.095 1.00 0.00 C ATOM 743 O VAL A 50 8.269 4.302 1.867 1.00 0.00 O ATOM 744 CB VAL A 50 5.378 3.221 1.479 1.00 0.00 C ATOM 745 CG1 VAL A 50 5.158 3.984 0.142 1.00 0.00 C ATOM 746 CG2 VAL A 50 4.203 2.247 1.752 1.00 0.00 C ATOM 0 H VAL A 50 7.140 2.732 3.563 1.00 0.00 H new ATOM 0 HA VAL A 50 6.700 1.612 0.844 1.00 0.00 H new ATOM 0 HB VAL A 50 5.404 3.966 2.274 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.190 4.485 0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.947 4.724 0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.182 3.278 -0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.261 2.794 1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.196 1.463 0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.324 1.798 2.738 1.00 0.00 H new ATOM 756 N THR A 51 8.437 3.203 -0.106 1.00 0.00 N ATOM 757 CA THR A 51 9.421 4.105 -0.728 1.00 0.00 C ATOM 758 C THR A 51 8.850 4.625 -2.060 1.00 0.00 C ATOM 759 O THR A 51 7.973 3.982 -2.651 1.00 0.00 O ATOM 760 CB THR A 51 10.793 3.377 -0.966 1.00 0.00 C ATOM 761 OG1 THR A 51 10.594 2.170 -1.725 1.00 0.00 O ATOM 762 CG2 THR A 51 11.506 3.022 0.358 1.00 0.00 C ATOM 0 H THR A 51 8.206 2.395 -0.685 1.00 0.00 H new ATOM 0 HA THR A 51 9.609 4.941 -0.055 1.00 0.00 H new ATOM 0 HB THR A 51 11.425 4.072 -1.519 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.636 2.037 -1.883 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.449 2.521 0.140 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.702 3.934 0.922 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.871 2.360 0.947 1.00 0.00 H new ATOM 770 N ALA A 52 9.351 5.789 -2.514 1.00 0.00 N ATOM 771 CA ALA A 52 8.936 6.416 -3.780 1.00 0.00 C ATOM 772 C ALA A 52 9.127 5.467 -4.973 1.00 0.00 C ATOM 773 O ALA A 52 10.152 4.783 -5.071 1.00 0.00 O ATOM 774 CB ALA A 52 9.711 7.724 -4.000 1.00 0.00 C ATOM 0 H ALA A 52 10.059 6.323 -2.009 1.00 0.00 H new ATOM 0 HA ALA A 52 7.872 6.640 -3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.397 8.180 -4.939 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.508 8.410 -3.178 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.779 7.512 -4.040 1.00 0.00 H new ATOM 780 N GLY A 53 8.113 5.416 -5.848 1.00 0.00 N ATOM 781 CA GLY A 53 8.168 4.616 -7.071 1.00 0.00 C ATOM 782 C GLY A 53 7.432 3.281 -6.965 1.00 0.00 C ATOM 783 O GLY A 53 7.140 2.672 -8.004 1.00 0.00 O ATOM 0 H GLY A 53 7.238 5.926 -5.726 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.740 5.192 -7.891 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.211 4.427 -7.324 1.00 0.00 H new ATOM 787 N ASP A 54 7.125 2.826 -5.721 1.00 0.00 N ATOM 788 CA ASP A 54 6.457 1.521 -5.479 1.00 0.00 C ATOM 789 C ASP A 54 5.074 1.448 -6.151 1.00 0.00 C ATOM 790 O ASP A 54 4.232 2.331 -5.956 1.00 0.00 O ATOM 791 CB ASP A 54 6.305 1.222 -3.949 1.00 0.00 C ATOM 792 CG ASP A 54 7.560 0.629 -3.291 1.00 0.00 C ATOM 793 OD1 ASP A 54 8.190 -0.264 -3.894 1.00 0.00 O ATOM 794 OD2 ASP A 54 7.893 1.007 -2.147 1.00 0.00 O ATOM 0 H ASP A 54 7.331 3.347 -4.868 1.00 0.00 H new ATOM 0 HA ASP A 54 7.102 0.764 -5.925 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.042 2.146 -3.435 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.474 0.531 -3.807 1.00 0.00 H new ATOM 799 N GLU A 55 4.858 0.381 -6.937 1.00 0.00 N ATOM 800 CA GLU A 55 3.559 0.083 -7.535 1.00 0.00 C ATOM 801 C GLU A 55 2.675 -0.584 -6.470 1.00 0.00 C ATOM 802 O GLU A 55 2.671 -1.802 -6.314 1.00 0.00 O ATOM 803 CB GLU A 55 3.718 -0.804 -8.796 1.00 0.00 C ATOM 804 CG GLU A 55 4.540 -0.152 -9.925 1.00 0.00 C ATOM 805 CD GLU A 55 4.588 -1.007 -11.201 1.00 0.00 C ATOM 806 OE1 GLU A 55 3.660 -0.920 -12.025 1.00 0.00 O ATOM 807 OE2 GLU A 55 5.538 -1.793 -11.383 1.00 0.00 O ATOM 0 H GLU A 55 5.584 -0.296 -7.172 1.00 0.00 H new ATOM 0 HA GLU A 55 3.081 1.005 -7.867 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.194 -1.742 -8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.728 -1.053 -9.179 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.113 0.822 -10.162 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.557 0.023 -9.573 1.00 0.00 H new ATOM 814 N ILE A 56 1.999 0.261 -5.690 1.00 0.00 N ATOM 815 CA ILE A 56 1.102 -0.142 -4.603 1.00 0.00 C ATOM 816 C ILE A 56 -0.313 -0.322 -5.168 1.00 0.00 C ATOM 817 O ILE A 56 -0.690 0.340 -6.131 1.00 0.00 O ATOM 818 CB ILE A 56 1.099 0.960 -3.473 1.00 0.00 C ATOM 819 CG1 ILE A 56 2.565 1.267 -3.021 1.00 0.00 C ATOM 820 CG2 ILE A 56 0.204 0.556 -2.265 1.00 0.00 C ATOM 821 CD1 ILE A 56 2.719 2.399 -2.027 1.00 0.00 C ATOM 0 H ILE A 56 2.061 1.273 -5.799 1.00 0.00 H new ATOM 0 HA ILE A 56 1.445 -1.082 -4.170 1.00 0.00 H new ATOM 0 HB ILE A 56 0.665 1.869 -3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.988 0.363 -2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.158 1.501 -3.905 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.232 1.344 -1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.822 0.414 -2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.575 -0.373 -1.832 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.773 2.527 -1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.333 3.321 -2.463 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.161 2.165 -1.120 1.00 0.00 H new ATOM 833 N GLU A 57 -1.079 -1.224 -4.567 1.00 0.00 N ATOM 834 CA GLU A 57 -2.465 -1.496 -4.961 1.00 0.00 C ATOM 835 C GLU A 57 -3.267 -1.884 -3.725 1.00 0.00 C ATOM 836 O GLU A 57 -2.771 -2.632 -2.895 1.00 0.00 O ATOM 837 CB GLU A 57 -2.496 -2.642 -5.997 1.00 0.00 C ATOM 838 CG GLU A 57 -3.899 -3.093 -6.430 1.00 0.00 C ATOM 839 CD GLU A 57 -3.837 -4.269 -7.405 1.00 0.00 C ATOM 840 OE1 GLU A 57 -3.724 -4.035 -8.625 1.00 0.00 O ATOM 841 OE2 GLU A 57 -3.843 -5.427 -6.958 1.00 0.00 O ATOM 0 H GLU A 57 -0.757 -1.795 -3.785 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.903 -0.605 -5.411 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.944 -2.325 -6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.968 -3.500 -5.582 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.477 -3.378 -5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.421 -2.259 -6.898 1.00 0.00 H new ATOM 848 N ILE A 58 -4.492 -1.360 -3.592 1.00 0.00 N ATOM 849 CA ILE A 58 -5.397 -1.742 -2.497 1.00 0.00 C ATOM 850 C ILE A 58 -6.472 -2.700 -3.033 1.00 0.00 C ATOM 851 O ILE A 58 -7.320 -2.316 -3.848 1.00 0.00 O ATOM 852 CB ILE A 58 -6.082 -0.502 -1.828 1.00 0.00 C ATOM 853 CG1 ILE A 58 -5.021 0.573 -1.409 1.00 0.00 C ATOM 854 CG2 ILE A 58 -6.945 -0.946 -0.616 1.00 0.00 C ATOM 855 CD1 ILE A 58 -3.993 0.120 -0.372 1.00 0.00 C ATOM 0 H ILE A 58 -4.882 -0.667 -4.231 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.797 -2.234 -1.731 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.742 -0.039 -2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.489 0.899 -2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.548 1.443 -1.016 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.413 -0.072 -0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.717 -1.638 -0.953 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.311 -1.440 0.120 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.309 0.940 -0.156 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.506 -0.176 0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.431 -0.728 -0.763 1.00 0.00 H new ATOM 867 N LEU A 59 -6.387 -3.954 -2.600 1.00 0.00 N ATOM 868 CA LEU A 59 -7.398 -4.978 -2.870 1.00 0.00 C ATOM 869 C LEU A 59 -8.593 -4.814 -1.920 1.00 0.00 C ATOM 870 O LEU A 59 -8.421 -4.542 -0.725 1.00 0.00 O ATOM 871 CB LEU A 59 -6.759 -6.380 -2.709 1.00 0.00 C ATOM 872 CG LEU A 59 -5.689 -6.753 -3.789 1.00 0.00 C ATOM 873 CD1 LEU A 59 -4.828 -7.956 -3.344 1.00 0.00 C ATOM 874 CD2 LEU A 59 -6.369 -7.020 -5.163 1.00 0.00 C ATOM 0 H LEU A 59 -5.603 -4.295 -2.043 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.763 -4.867 -3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.294 -6.439 -1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.552 -7.128 -2.733 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.016 -5.903 -3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.096 -8.186 -4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.310 -7.710 -2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.469 -8.822 -3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.609 -7.278 -5.901 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.075 -7.845 -5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.900 -6.125 -5.486 1.00 0.00 H new