USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=13 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 162:sc= -0.0765 (180deg=-0.544) USER MOD Single : A 1 MET N :NH3+ -173:sc= 1.42 (180deg=1.2) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0.544 K(o=0.54,f=-5.8!) USER MOD Single : A 9 GLN : amide:sc= -0.791 K(o=-0.79,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.71 K(o=-0.71,f=-2.3) USER MOD Single : A 14 SER OG : rot 46:sc= 0.117 USER MOD Single : A 16 SER OG : rot 180:sc= -0.257 USER MOD Single : A 21 MET CE :methyl 142:sc= -0.816 (180deg=-2.42!) USER MOD Single : A 22 THR OG1 : rot 76:sc= 1.21 USER MOD Single : A 26 CYS SG : rot 42:sc= 0.697 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.731 K(o=0.73,f=-2.3!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.145) USER MOD Single : A 48 THR OG1 : rot 75:sc= 1.03 USER MOD Single : A 51 THR OG1 : rot 64:sc= 0.648 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.575 11.289 -0.865 1.00 0.00 N ATOM 2 CA MET A 1 7.140 10.760 -2.120 1.00 0.00 C ATOM 3 C MET A 1 6.029 10.160 -2.993 1.00 0.00 C ATOM 4 O MET A 1 5.041 9.620 -2.477 1.00 0.00 O ATOM 5 CB MET A 1 8.249 9.729 -1.818 1.00 0.00 C ATOM 6 CG MET A 1 7.776 8.435 -1.144 1.00 0.00 C ATOM 7 SD MET A 1 7.051 8.717 0.481 1.00 0.00 S ATOM 8 CE MET A 1 6.593 7.052 0.939 1.00 0.00 C ATOM 0 H1 MET A 1 7.314 11.796 -0.338 1.00 0.00 H new ATOM 0 H2 MET A 1 5.796 11.942 -1.083 1.00 0.00 H new ATOM 0 H3 MET A 1 6.216 10.502 -0.287 1.00 0.00 H new ATOM 0 HA MET A 1 7.594 11.578 -2.679 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.747 9.471 -2.753 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.996 10.200 -1.179 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.042 7.945 -1.784 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.620 7.752 -1.046 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.432 7.002 2.016 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.675 6.772 0.422 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.392 6.365 0.659 1.00 0.00 H new ATOM 20 N LEU A 2 6.217 10.256 -4.317 1.00 0.00 N ATOM 21 CA LEU A 2 5.237 9.831 -5.313 1.00 0.00 C ATOM 22 C LEU A 2 5.293 8.299 -5.501 1.00 0.00 C ATOM 23 O LEU A 2 6.333 7.748 -5.873 1.00 0.00 O ATOM 24 CB LEU A 2 5.511 10.566 -6.658 1.00 0.00 C ATOM 25 CG LEU A 2 4.513 10.263 -7.815 1.00 0.00 C ATOM 26 CD1 LEU A 2 3.090 10.718 -7.462 1.00 0.00 C ATOM 27 CD2 LEU A 2 4.982 10.878 -9.152 1.00 0.00 C ATOM 0 H LEU A 2 7.069 10.638 -4.727 1.00 0.00 H new ATOM 0 HA LEU A 2 4.236 10.090 -4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.505 11.640 -6.471 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.515 10.307 -6.993 1.00 0.00 H new ATOM 0 HG LEU A 2 4.492 9.181 -7.945 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.419 10.492 -8.291 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.752 10.194 -6.568 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.087 11.792 -7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 2 4.259 10.644 -9.933 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.065 11.960 -9.046 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.954 10.465 -9.422 1.00 0.00 H new ATOM 39 N VAL A 3 4.167 7.635 -5.212 1.00 0.00 N ATOM 40 CA VAL A 3 3.985 6.178 -5.400 1.00 0.00 C ATOM 41 C VAL A 3 2.765 5.936 -6.314 1.00 0.00 C ATOM 42 O VAL A 3 1.948 6.844 -6.509 1.00 0.00 O ATOM 43 CB VAL A 3 3.798 5.443 -4.019 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.075 5.549 -3.156 1.00 0.00 C ATOM 45 CG2 VAL A 3 2.573 5.985 -3.248 1.00 0.00 C ATOM 0 H VAL A 3 3.339 8.096 -4.834 1.00 0.00 H new ATOM 0 HA VAL A 3 4.880 5.767 -5.868 1.00 0.00 H new ATOM 0 HB VAL A 3 3.616 4.390 -4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.918 5.033 -2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.911 5.090 -3.685 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.299 6.598 -2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.475 5.455 -2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.706 7.050 -3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.672 5.833 -3.843 1.00 0.00 H new ATOM 55 N THR A 4 2.644 4.723 -6.883 1.00 0.00 N ATOM 56 CA THR A 4 1.528 4.377 -7.789 1.00 0.00 C ATOM 57 C THR A 4 0.519 3.470 -7.058 1.00 0.00 C ATOM 58 O THR A 4 0.732 2.264 -6.937 1.00 0.00 O ATOM 59 CB THR A 4 2.062 3.665 -9.080 1.00 0.00 C ATOM 60 OG1 THR A 4 3.171 4.404 -9.619 1.00 0.00 O ATOM 61 CG2 THR A 4 0.974 3.526 -10.161 1.00 0.00 C ATOM 0 H THR A 4 3.306 3.962 -6.732 1.00 0.00 H new ATOM 0 HA THR A 4 1.027 5.297 -8.089 1.00 0.00 H new ATOM 0 HB THR A 4 2.377 2.662 -8.790 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.503 3.955 -10.424 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.392 3.027 -11.036 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.145 2.937 -9.769 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.615 4.515 -10.445 1.00 0.00 H new ATOM 69 N ILE A 5 -0.581 4.069 -6.582 1.00 0.00 N ATOM 70 CA ILE A 5 -1.618 3.374 -5.807 1.00 0.00 C ATOM 71 C ILE A 5 -2.815 3.069 -6.719 1.00 0.00 C ATOM 72 O ILE A 5 -3.520 3.996 -7.129 1.00 0.00 O ATOM 73 CB ILE A 5 -2.085 4.239 -4.575 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.858 4.766 -3.761 1.00 0.00 C ATOM 75 CG2 ILE A 5 -3.049 3.431 -3.668 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.184 5.822 -2.716 1.00 0.00 C ATOM 0 H ILE A 5 -0.778 5.059 -6.726 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.200 2.444 -5.423 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.627 5.104 -4.957 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.381 3.921 -3.265 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.129 5.180 -4.458 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.358 4.048 -2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.927 3.136 -4.242 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.540 2.540 -3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.269 6.123 -2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.631 6.689 -3.202 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.886 5.411 -1.990 1.00 0.00 H new ATOM 88 N ASN A 6 -3.006 1.780 -7.053 1.00 0.00 N ATOM 89 CA ASN A 6 -4.132 1.290 -7.902 1.00 0.00 C ATOM 90 C ASN A 6 -4.091 1.848 -9.336 1.00 0.00 C ATOM 91 O ASN A 6 -5.111 1.838 -10.043 1.00 0.00 O ATOM 92 CB ASN A 6 -5.504 1.589 -7.234 1.00 0.00 C ATOM 93 CG ASN A 6 -5.834 0.620 -6.117 1.00 0.00 C ATOM 94 OD1 ASN A 6 -5.444 0.818 -4.969 1.00 0.00 O ATOM 95 ND2 ASN A 6 -6.566 -0.427 -6.448 1.00 0.00 N ATOM 0 H ASN A 6 -2.383 1.034 -6.743 1.00 0.00 H new ATOM 0 HA ASN A 6 -4.008 0.210 -7.984 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.497 2.605 -6.838 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.288 1.547 -7.990 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -6.829 -1.110 -5.738 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.869 -0.553 -7.414 1.00 0.00 H new ATOM 102 N GLY A 7 -2.897 2.267 -9.777 1.00 0.00 N ATOM 103 CA GLY A 7 -2.723 2.895 -11.090 1.00 0.00 C ATOM 104 C GLY A 7 -2.931 4.407 -11.070 1.00 0.00 C ATOM 105 O GLY A 7 -2.998 5.047 -12.129 1.00 0.00 O ATOM 0 H GLY A 7 -2.035 2.181 -9.239 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.720 2.678 -11.458 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.425 2.448 -11.794 1.00 0.00 H new ATOM 109 N GLU A 8 -3.057 4.969 -9.860 1.00 0.00 N ATOM 110 CA GLU A 8 -3.106 6.424 -9.635 1.00 0.00 C ATOM 111 C GLU A 8 -1.756 6.884 -9.084 1.00 0.00 C ATOM 112 O GLU A 8 -1.234 6.278 -8.152 1.00 0.00 O ATOM 113 CB GLU A 8 -4.219 6.802 -8.613 1.00 0.00 C ATOM 114 CG GLU A 8 -5.633 6.339 -8.993 1.00 0.00 C ATOM 115 CD GLU A 8 -6.103 6.870 -10.360 1.00 0.00 C ATOM 116 OE1 GLU A 8 -6.412 8.079 -10.468 1.00 0.00 O ATOM 117 OE2 GLU A 8 -6.154 6.094 -11.337 1.00 0.00 O ATOM 0 H GLU A 8 -3.129 4.424 -9.001 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.328 6.912 -10.584 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.961 6.375 -7.644 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.228 7.885 -8.492 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.659 5.249 -9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.333 6.666 -8.224 1.00 0.00 H new ATOM 124 N GLN A 9 -1.190 7.941 -9.665 1.00 0.00 N ATOM 125 CA GLN A 9 0.012 8.582 -9.128 1.00 0.00 C ATOM 126 C GLN A 9 -0.398 9.505 -7.967 1.00 0.00 C ATOM 127 O GLN A 9 -1.118 10.491 -8.171 1.00 0.00 O ATOM 128 CB GLN A 9 0.741 9.370 -10.247 1.00 0.00 C ATOM 129 CG GLN A 9 1.155 8.514 -11.468 1.00 0.00 C ATOM 130 CD GLN A 9 1.884 9.293 -12.575 1.00 0.00 C ATOM 131 OE1 GLN A 9 1.746 8.992 -13.759 1.00 0.00 O ATOM 132 NE2 GLN A 9 2.691 10.273 -12.203 1.00 0.00 N ATOM 0 H GLN A 9 -1.548 8.376 -10.516 1.00 0.00 H new ATOM 0 HA GLN A 9 0.705 7.829 -8.753 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.092 10.177 -10.588 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.632 9.834 -9.825 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.800 7.704 -11.126 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.263 8.054 -11.892 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.790 10.505 -11.215 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.215 10.797 -12.905 1.00 0.00 H new ATOM 141 N ARG A 10 0.035 9.159 -6.742 1.00 0.00 N ATOM 142 CA ARG A 10 -0.277 9.933 -5.530 1.00 0.00 C ATOM 143 C ARG A 10 0.971 10.058 -4.644 1.00 0.00 C ATOM 144 O ARG A 10 1.652 9.067 -4.363 1.00 0.00 O ATOM 145 CB ARG A 10 -1.441 9.292 -4.731 1.00 0.00 C ATOM 146 CG ARG A 10 -1.761 10.027 -3.408 1.00 0.00 C ATOM 147 CD ARG A 10 -2.941 9.421 -2.629 1.00 0.00 C ATOM 148 NE ARG A 10 -3.046 10.009 -1.281 1.00 0.00 N ATOM 149 CZ ARG A 10 -4.186 10.204 -0.598 1.00 0.00 C ATOM 150 NH1 ARG A 10 -5.372 9.881 -1.122 1.00 0.00 N ATOM 151 NH2 ARG A 10 -4.137 10.715 0.616 1.00 0.00 N ATOM 0 H ARG A 10 0.610 8.336 -6.566 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.595 10.928 -5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.335 9.278 -5.355 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.191 8.254 -4.509 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.875 10.015 -2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.982 11.072 -3.628 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.868 9.591 -3.177 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.812 8.342 -2.549 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.177 10.292 -0.828 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.423 9.478 -2.058 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.226 10.037 -0.586 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.238 10.959 1.031 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.998 10.866 1.141 1.00 0.00 H new ATOM 165 N GLU A 11 1.257 11.294 -4.225 1.00 0.00 N ATOM 166 CA GLU A 11 2.329 11.599 -3.274 1.00 0.00 C ATOM 167 C GLU A 11 1.828 11.367 -1.830 1.00 0.00 C ATOM 168 O GLU A 11 0.740 11.825 -1.444 1.00 0.00 O ATOM 169 CB GLU A 11 2.829 13.055 -3.476 1.00 0.00 C ATOM 170 CG GLU A 11 1.720 14.115 -3.406 1.00 0.00 C ATOM 171 CD GLU A 11 2.227 15.560 -3.510 1.00 0.00 C ATOM 172 OE1 GLU A 11 2.328 16.097 -4.637 1.00 0.00 O ATOM 173 OE2 GLU A 11 2.535 16.167 -2.460 1.00 0.00 O ATOM 0 H GLU A 11 0.746 12.119 -4.540 1.00 0.00 H new ATOM 0 HA GLU A 11 3.173 10.932 -3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.579 13.279 -2.717 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.324 13.126 -4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.007 13.933 -4.210 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.179 13.998 -2.467 1.00 0.00 H new ATOM 180 N VAL A 12 2.611 10.607 -1.051 1.00 0.00 N ATOM 181 CA VAL A 12 2.273 10.234 0.338 1.00 0.00 C ATOM 182 C VAL A 12 3.505 10.415 1.252 1.00 0.00 C ATOM 183 O VAL A 12 4.640 10.435 0.776 1.00 0.00 O ATOM 184 CB VAL A 12 1.732 8.749 0.437 1.00 0.00 C ATOM 185 CG1 VAL A 12 0.462 8.544 -0.440 1.00 0.00 C ATOM 186 CG2 VAL A 12 2.833 7.717 0.082 1.00 0.00 C ATOM 0 H VAL A 12 3.504 10.229 -1.366 1.00 0.00 H new ATOM 0 HA VAL A 12 1.474 10.897 0.672 1.00 0.00 H new ATOM 0 HB VAL A 12 1.445 8.579 1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.118 7.514 -0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.325 9.220 -0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.702 8.754 -1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.426 6.709 0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.179 7.890 -0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.669 7.825 0.772 1.00 0.00 H new ATOM 196 N GLN A 13 3.266 10.529 2.559 1.00 0.00 N ATOM 197 CA GLN A 13 4.326 10.745 3.580 1.00 0.00 C ATOM 198 C GLN A 13 4.461 9.512 4.477 1.00 0.00 C ATOM 199 O GLN A 13 5.428 9.389 5.243 1.00 0.00 O ATOM 200 CB GLN A 13 4.022 12.003 4.445 1.00 0.00 C ATOM 201 CG GLN A 13 2.821 11.892 5.411 1.00 0.00 C ATOM 202 CD GLN A 13 1.464 11.700 4.727 1.00 0.00 C ATOM 203 OE1 GLN A 13 1.225 12.204 3.629 1.00 0.00 O ATOM 204 NE2 GLN A 13 0.586 10.947 5.338 1.00 0.00 N ATOM 0 H GLN A 13 2.328 10.475 2.956 1.00 0.00 H new ATOM 0 HA GLN A 13 5.268 10.909 3.057 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.911 12.240 5.029 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.847 12.845 3.775 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.993 11.055 6.088 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.780 12.793 6.023 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.807 10.541 6.247 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.320 10.766 4.905 1.00 0.00 H new ATOM 213 N SER A 14 3.477 8.610 4.379 1.00 0.00 N ATOM 214 CA SER A 14 3.402 7.397 5.173 1.00 0.00 C ATOM 215 C SER A 14 4.554 6.434 4.820 1.00 0.00 C ATOM 216 O SER A 14 4.560 5.817 3.746 1.00 0.00 O ATOM 217 CB SER A 14 2.028 6.746 4.944 1.00 0.00 C ATOM 218 OG SER A 14 1.751 6.638 3.553 1.00 0.00 O ATOM 0 H SER A 14 2.698 8.714 3.729 1.00 0.00 H new ATOM 0 HA SER A 14 3.511 7.640 6.230 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.007 5.757 5.402 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.253 7.339 5.430 1.00 0.00 H new ATOM 0 HG SER A 14 2.539 6.287 3.089 1.00 0.00 H new ATOM 224 N ALA A 15 5.542 6.357 5.726 1.00 0.00 N ATOM 225 CA ALA A 15 6.689 5.445 5.610 1.00 0.00 C ATOM 226 C ALA A 15 6.280 3.978 5.856 1.00 0.00 C ATOM 227 O ALA A 15 7.019 3.067 5.504 1.00 0.00 O ATOM 228 CB ALA A 15 7.789 5.870 6.594 1.00 0.00 C ATOM 0 H ALA A 15 5.566 6.932 6.568 1.00 0.00 H new ATOM 0 HA ALA A 15 7.071 5.507 4.591 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.638 5.192 6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.110 6.886 6.364 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.400 5.834 7.612 1.00 0.00 H new ATOM 234 N SER A 16 5.105 3.774 6.476 1.00 0.00 N ATOM 235 CA SER A 16 4.543 2.442 6.759 1.00 0.00 C ATOM 236 C SER A 16 3.395 2.139 5.792 1.00 0.00 C ATOM 237 O SER A 16 2.626 3.049 5.437 1.00 0.00 O ATOM 238 CB SER A 16 4.030 2.394 8.216 1.00 0.00 C ATOM 239 OG SER A 16 3.443 1.135 8.539 1.00 0.00 O ATOM 0 H SER A 16 4.512 4.539 6.799 1.00 0.00 H new ATOM 0 HA SER A 16 5.322 1.691 6.626 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.857 2.593 8.897 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.295 3.185 8.367 1.00 0.00 H new ATOM 0 HG SER A 16 3.134 1.147 9.469 1.00 0.00 H new ATOM 245 N VAL A 17 3.277 0.863 5.364 1.00 0.00 N ATOM 246 CA VAL A 17 2.144 0.402 4.543 1.00 0.00 C ATOM 247 C VAL A 17 0.850 0.424 5.380 1.00 0.00 C ATOM 248 O VAL A 17 -0.204 0.743 4.853 1.00 0.00 O ATOM 249 CB VAL A 17 2.396 -1.025 3.916 1.00 0.00 C ATOM 250 CG1 VAL A 17 1.157 -1.564 3.150 1.00 0.00 C ATOM 251 CG2 VAL A 17 3.637 -1.010 2.996 1.00 0.00 C ATOM 0 H VAL A 17 3.958 0.134 5.577 1.00 0.00 H new ATOM 0 HA VAL A 17 2.038 1.090 3.704 1.00 0.00 H new ATOM 0 HB VAL A 17 2.581 -1.706 4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.383 -2.548 2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.312 -1.642 3.834 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.905 -0.881 2.339 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.790 -2.004 2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.483 -0.294 2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.515 -0.721 3.574 1.00 0.00 H new ATOM 261 N ALA A 18 0.958 0.145 6.697 1.00 0.00 N ATOM 262 CA ALA A 18 -0.193 0.221 7.634 1.00 0.00 C ATOM 263 C ALA A 18 -0.721 1.658 7.721 1.00 0.00 C ATOM 264 O ALA A 18 -1.932 1.889 7.662 1.00 0.00 O ATOM 265 CB ALA A 18 0.195 -0.285 9.030 1.00 0.00 C ATOM 0 H ALA A 18 1.832 -0.136 7.140 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.983 -0.422 7.246 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.667 -0.218 9.694 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.521 -1.323 8.963 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.007 0.326 9.426 1.00 0.00 H new ATOM 271 N ALA A 19 0.225 2.607 7.835 1.00 0.00 N ATOM 272 CA ALA A 19 -0.077 4.051 7.878 1.00 0.00 C ATOM 273 C ALA A 19 -0.668 4.530 6.549 1.00 0.00 C ATOM 274 O ALA A 19 -1.523 5.412 6.538 1.00 0.00 O ATOM 275 CB ALA A 19 1.177 4.851 8.227 1.00 0.00 C ATOM 0 H ALA A 19 1.221 2.396 7.900 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.822 4.216 8.657 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.935 5.913 8.254 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.548 4.538 9.203 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.944 4.673 7.473 1.00 0.00 H new ATOM 281 N LEU A 20 -0.191 3.941 5.439 1.00 0.00 N ATOM 282 CA LEU A 20 -0.691 4.255 4.088 1.00 0.00 C ATOM 283 C LEU A 20 -2.125 3.734 3.905 1.00 0.00 C ATOM 284 O LEU A 20 -2.984 4.431 3.363 1.00 0.00 O ATOM 285 CB LEU A 20 0.249 3.660 3.012 1.00 0.00 C ATOM 286 CG LEU A 20 -0.157 3.935 1.533 1.00 0.00 C ATOM 287 CD1 LEU A 20 -0.261 5.443 1.236 1.00 0.00 C ATOM 288 CD2 LEU A 20 0.804 3.240 0.558 1.00 0.00 C ATOM 0 H LEU A 20 0.548 3.238 5.452 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.706 5.338 3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.252 4.055 3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.304 2.581 3.160 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.150 3.511 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.546 5.590 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.014 5.891 1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.703 5.917 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.497 3.449 -0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.816 3.613 0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.783 2.164 0.731 1.00 0.00 H new ATOM 300 N MET A 21 -2.375 2.506 4.378 1.00 0.00 N ATOM 301 CA MET A 21 -3.706 1.879 4.313 1.00 0.00 C ATOM 302 C MET A 21 -4.689 2.631 5.235 1.00 0.00 C ATOM 303 O MET A 21 -5.878 2.672 4.967 1.00 0.00 O ATOM 304 CB MET A 21 -3.620 0.369 4.681 1.00 0.00 C ATOM 305 CG MET A 21 -2.765 -0.488 3.723 1.00 0.00 C ATOM 306 SD MET A 21 -3.490 -0.701 2.084 1.00 0.00 S ATOM 307 CE MET A 21 -4.759 -1.929 2.398 1.00 0.00 C ATOM 0 H MET A 21 -1.665 1.919 4.815 1.00 0.00 H new ATOM 0 HA MET A 21 -4.081 1.945 3.292 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.212 0.278 5.688 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.630 -0.041 4.708 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.783 -0.027 3.618 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.610 -1.470 4.171 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.643 -1.698 1.804 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.386 -2.916 2.125 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.020 -1.920 3.456 1.00 0.00 H new ATOM 317 N THR A 22 -4.177 3.239 6.321 1.00 0.00 N ATOM 318 CA THR A 22 -4.994 4.076 7.228 1.00 0.00 C ATOM 319 C THR A 22 -5.194 5.489 6.634 1.00 0.00 C ATOM 320 O THR A 22 -6.222 6.130 6.869 1.00 0.00 O ATOM 321 CB THR A 22 -4.333 4.147 8.641 1.00 0.00 C ATOM 322 OG1 THR A 22 -4.087 2.819 9.118 1.00 0.00 O ATOM 323 CG2 THR A 22 -5.204 4.869 9.683 1.00 0.00 C ATOM 0 H THR A 22 -3.197 3.167 6.595 1.00 0.00 H new ATOM 0 HA THR A 22 -5.977 3.618 7.335 1.00 0.00 H new ATOM 0 HB THR A 22 -3.410 4.715 8.522 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.308 2.445 8.656 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.687 4.883 10.642 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.390 5.892 9.356 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.153 4.344 9.790 1.00 0.00 H new ATOM 331 N GLU A 23 -4.211 5.937 5.838 1.00 0.00 N ATOM 332 CA GLU A 23 -4.260 7.226 5.120 1.00 0.00 C ATOM 333 C GLU A 23 -5.332 7.172 4.018 1.00 0.00 C ATOM 334 O GLU A 23 -6.045 8.144 3.768 1.00 0.00 O ATOM 335 CB GLU A 23 -2.873 7.544 4.500 1.00 0.00 C ATOM 336 CG GLU A 23 -2.756 8.912 3.795 1.00 0.00 C ATOM 337 CD GLU A 23 -3.061 10.101 4.722 1.00 0.00 C ATOM 338 OE1 GLU A 23 -2.217 10.431 5.580 1.00 0.00 O ATOM 339 OE2 GLU A 23 -4.152 10.700 4.622 1.00 0.00 O ATOM 0 H GLU A 23 -3.352 5.413 5.671 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.518 8.015 5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.123 7.497 5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.629 6.762 3.781 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.748 9.022 3.394 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.441 8.936 2.947 1.00 0.00 H new ATOM 346 N LEU A 24 -5.429 6.001 3.384 1.00 0.00 N ATOM 347 CA LEU A 24 -6.357 5.732 2.276 1.00 0.00 C ATOM 348 C LEU A 24 -7.621 5.016 2.782 1.00 0.00 C ATOM 349 O LEU A 24 -8.408 4.548 1.971 1.00 0.00 O ATOM 350 CB LEU A 24 -5.627 4.854 1.226 1.00 0.00 C ATOM 351 CG LEU A 24 -4.330 5.468 0.625 1.00 0.00 C ATOM 352 CD1 LEU A 24 -3.549 4.427 -0.185 1.00 0.00 C ATOM 353 CD2 LEU A 24 -4.640 6.715 -0.213 1.00 0.00 C ATOM 0 H LEU A 24 -4.854 5.195 3.629 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.668 6.674 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.376 3.899 1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.319 4.642 0.411 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.696 5.782 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.648 4.885 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.272 3.595 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.171 4.060 -1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.713 7.120 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.308 6.446 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.120 7.466 0.415 1.00 0.00 H new ATOM 365 N ASP A 25 -7.775 4.911 4.127 1.00 0.00 N ATOM 366 CA ASP A 25 -8.926 4.255 4.830 1.00 0.00 C ATOM 367 C ASP A 25 -9.227 2.825 4.315 1.00 0.00 C ATOM 368 O ASP A 25 -10.319 2.277 4.533 1.00 0.00 O ATOM 369 CB ASP A 25 -10.198 5.168 4.861 1.00 0.00 C ATOM 370 CG ASP A 25 -10.930 5.344 3.518 1.00 0.00 C ATOM 371 OD1 ASP A 25 -11.767 4.489 3.163 1.00 0.00 O ATOM 372 OD2 ASP A 25 -10.701 6.353 2.820 1.00 0.00 O ATOM 0 H ASP A 25 -7.086 5.289 4.778 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.609 4.126 5.865 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.901 4.755 5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -9.906 6.153 5.226 1.00 0.00 H new ATOM 377 N CYS A 26 -8.202 2.190 3.729 1.00 0.00 N ATOM 378 CA CYS A 26 -8.254 0.816 3.211 1.00 0.00 C ATOM 379 C CYS A 26 -7.898 -0.205 4.328 1.00 0.00 C ATOM 380 O CYS A 26 -7.518 -1.344 4.045 1.00 0.00 O ATOM 381 CB CYS A 26 -7.266 0.698 2.026 1.00 0.00 C ATOM 382 SG CYS A 26 -7.529 1.907 0.708 1.00 0.00 S ATOM 0 H CYS A 26 -7.291 2.629 3.599 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.264 0.590 2.870 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.250 0.807 2.404 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.343 -0.304 1.604 1.00 0.00 H new ATOM 0 HG CYS A 26 -7.782 3.070 1.230 1.00 0.00 H new ATOM 439 N TYR A 31 -10.470 -5.348 2.997 1.00 0.00 N ATOM 440 CA TYR A 31 -9.411 -4.793 2.117 1.00 0.00 C ATOM 441 C TYR A 31 -8.061 -5.490 2.363 1.00 0.00 C ATOM 442 O TYR A 31 -7.798 -6.025 3.443 1.00 0.00 O ATOM 443 CB TYR A 31 -9.244 -3.263 2.319 1.00 0.00 C ATOM 444 CG TYR A 31 -10.492 -2.446 1.973 1.00 0.00 C ATOM 445 CD1 TYR A 31 -10.839 -2.195 0.646 1.00 0.00 C ATOM 446 CD2 TYR A 31 -11.339 -1.964 2.968 1.00 0.00 C ATOM 447 CE1 TYR A 31 -11.985 -1.493 0.326 1.00 0.00 C ATOM 448 CE2 TYR A 31 -12.480 -1.255 2.653 1.00 0.00 C ATOM 449 CZ TYR A 31 -12.802 -1.028 1.334 1.00 0.00 C ATOM 450 OH TYR A 31 -13.953 -0.347 1.017 1.00 0.00 O ATOM 0 HA TYR A 31 -9.727 -4.978 1.090 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.974 -3.072 3.358 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.413 -2.915 1.705 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.200 -2.556 -0.146 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.098 -2.148 4.005 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.239 -1.310 -0.708 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -13.119 -0.879 3.439 1.00 0.00 H new ATOM 0 HH TYR A 31 -14.417 -0.088 1.840 1.00 0.00 H new ATOM 460 N ALA A 32 -7.225 -5.438 1.328 1.00 0.00 N ATOM 461 CA ALA A 32 -5.869 -6.010 1.305 1.00 0.00 C ATOM 462 C ALA A 32 -4.978 -5.134 0.410 1.00 0.00 C ATOM 463 O ALA A 32 -5.478 -4.277 -0.322 1.00 0.00 O ATOM 464 CB ALA A 32 -5.911 -7.458 0.776 1.00 0.00 C ATOM 0 H ALA A 32 -7.476 -4.983 0.450 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.460 -6.032 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.902 -7.870 0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.543 -8.064 1.425 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.318 -7.464 -0.235 1.00 0.00 H new ATOM 470 N VAL A 33 -3.662 -5.358 0.459 1.00 0.00 N ATOM 471 CA VAL A 33 -2.701 -4.620 -0.385 1.00 0.00 C ATOM 472 C VAL A 33 -1.748 -5.607 -1.077 1.00 0.00 C ATOM 473 O VAL A 33 -1.455 -6.676 -0.540 1.00 0.00 O ATOM 474 CB VAL A 33 -1.898 -3.564 0.460 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.048 -4.224 1.555 1.00 0.00 C ATOM 476 CG2 VAL A 33 -1.047 -2.635 -0.439 1.00 0.00 C ATOM 0 H VAL A 33 -3.230 -6.047 1.075 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.257 -4.075 -1.148 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.636 -2.940 0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.512 -3.456 2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.696 -4.779 2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.332 -4.907 1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.508 -1.920 0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.334 -3.232 -1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.699 -2.097 -1.127 1.00 0.00 H new ATOM 486 N ALA A 34 -1.311 -5.246 -2.285 1.00 0.00 N ATOM 487 CA ALA A 34 -0.315 -5.985 -3.060 1.00 0.00 C ATOM 488 C ALA A 34 0.796 -5.026 -3.454 1.00 0.00 C ATOM 489 O ALA A 34 0.615 -4.188 -4.342 1.00 0.00 O ATOM 490 CB ALA A 34 -0.941 -6.641 -4.303 1.00 0.00 C ATOM 0 H ALA A 34 -1.649 -4.410 -2.763 1.00 0.00 H new ATOM 0 HA ALA A 34 0.090 -6.792 -2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.172 -7.182 -4.855 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.722 -7.336 -3.993 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.373 -5.871 -4.942 1.00 0.00 H new ATOM 496 N LEU A 35 1.937 -5.142 -2.779 1.00 0.00 N ATOM 497 CA LEU A 35 3.102 -4.313 -3.055 1.00 0.00 C ATOM 498 C LEU A 35 3.920 -5.018 -4.140 1.00 0.00 C ATOM 499 O LEU A 35 4.472 -6.101 -3.902 1.00 0.00 O ATOM 500 CB LEU A 35 3.937 -4.086 -1.767 1.00 0.00 C ATOM 501 CG LEU A 35 5.241 -3.246 -1.925 1.00 0.00 C ATOM 502 CD1 LEU A 35 4.957 -1.824 -2.459 1.00 0.00 C ATOM 503 CD2 LEU A 35 6.026 -3.200 -0.601 1.00 0.00 C ATOM 0 H LEU A 35 2.078 -5.815 -2.025 1.00 0.00 H new ATOM 0 HA LEU A 35 2.798 -3.326 -3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.302 -3.595 -1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.206 -5.060 -1.358 1.00 0.00 H new ATOM 0 HG LEU A 35 5.860 -3.745 -2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.895 -1.276 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.477 -1.891 -3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.299 -1.300 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.932 -2.609 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.408 -2.746 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.295 -4.213 -0.302 1.00 0.00 H new ATOM 515 N ASN A 36 3.910 -4.414 -5.337 1.00 0.00 N ATOM 516 CA ASN A 36 4.600 -4.918 -6.531 1.00 0.00 C ATOM 517 C ASN A 36 4.137 -6.344 -6.881 1.00 0.00 C ATOM 518 O ASN A 36 4.947 -7.270 -7.007 1.00 0.00 O ATOM 519 CB ASN A 36 6.144 -4.811 -6.359 1.00 0.00 C ATOM 520 CG ASN A 36 6.624 -3.401 -6.017 1.00 0.00 C ATOM 521 OD1 ASN A 36 5.967 -2.409 -6.338 1.00 0.00 O ATOM 522 ND2 ASN A 36 7.775 -3.289 -5.389 1.00 0.00 N ATOM 0 H ASN A 36 3.410 -3.541 -5.505 1.00 0.00 H new ATOM 0 HA ASN A 36 4.331 -4.291 -7.381 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.462 -5.495 -5.572 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.627 -5.137 -7.280 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.142 -2.366 -5.157 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.300 -4.125 -5.134 1.00 0.00 H new ATOM 529 N TYR A 37 2.795 -6.498 -6.981 1.00 0.00 N ATOM 530 CA TYR A 37 2.094 -7.761 -7.342 1.00 0.00 C ATOM 531 C TYR A 37 2.156 -8.823 -6.228 1.00 0.00 C ATOM 532 O TYR A 37 1.584 -9.905 -6.383 1.00 0.00 O ATOM 533 CB TYR A 37 2.605 -8.367 -8.684 1.00 0.00 C ATOM 534 CG TYR A 37 2.391 -7.473 -9.910 1.00 0.00 C ATOM 535 CD1 TYR A 37 1.143 -7.409 -10.531 1.00 0.00 C ATOM 536 CD2 TYR A 37 3.429 -6.715 -10.447 1.00 0.00 C ATOM 537 CE1 TYR A 37 0.947 -6.623 -11.647 1.00 0.00 C ATOM 538 CE2 TYR A 37 3.234 -5.929 -11.559 1.00 0.00 C ATOM 539 CZ TYR A 37 1.995 -5.888 -12.154 1.00 0.00 C ATOM 540 OH TYR A 37 1.807 -5.105 -13.268 1.00 0.00 O ATOM 0 H TYR A 37 2.149 -5.728 -6.809 1.00 0.00 H new ATOM 0 HA TYR A 37 1.050 -7.475 -7.472 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.669 -8.582 -8.589 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.102 -9.319 -8.853 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.319 -7.983 -10.132 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.403 -6.745 -9.982 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.023 -6.584 -12.121 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.050 -5.347 -11.963 1.00 0.00 H new ATOM 0 HH TYR A 37 2.646 -4.652 -13.494 1.00 0.00 H new ATOM 550 N ASP A 38 2.844 -8.523 -5.119 1.00 0.00 N ATOM 551 CA ASP A 38 2.998 -9.439 -3.980 1.00 0.00 C ATOM 552 C ASP A 38 2.072 -8.987 -2.851 1.00 0.00 C ATOM 553 O ASP A 38 2.308 -7.932 -2.249 1.00 0.00 O ATOM 554 CB ASP A 38 4.479 -9.468 -3.523 1.00 0.00 C ATOM 555 CG ASP A 38 4.724 -10.304 -2.255 1.00 0.00 C ATOM 556 OD1 ASP A 38 4.715 -11.551 -2.342 1.00 0.00 O ATOM 557 OD2 ASP A 38 4.908 -9.721 -1.168 1.00 0.00 O ATOM 0 H ASP A 38 3.315 -7.628 -4.985 1.00 0.00 H new ATOM 0 HA ASP A 38 2.722 -10.453 -4.271 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.091 -9.866 -4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.814 -8.446 -3.343 1.00 0.00 H new ATOM 562 N VAL A 39 1.012 -9.775 -2.577 1.00 0.00 N ATOM 563 CA VAL A 39 -0.008 -9.420 -1.590 1.00 0.00 C ATOM 564 C VAL A 39 0.571 -9.494 -0.173 1.00 0.00 C ATOM 565 O VAL A 39 0.970 -10.568 0.294 1.00 0.00 O ATOM 566 CB VAL A 39 -1.297 -10.309 -1.724 1.00 0.00 C ATOM 567 CG1 VAL A 39 -2.359 -9.936 -0.661 1.00 0.00 C ATOM 568 CG2 VAL A 39 -1.885 -10.200 -3.149 1.00 0.00 C ATOM 0 H VAL A 39 0.847 -10.671 -3.036 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.314 -8.393 -1.788 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.006 -11.344 -1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.236 -10.571 -0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.943 -10.082 0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.647 -8.892 -0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.777 -10.822 -3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.148 -9.163 -3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.145 -10.538 -3.875 1.00 0.00 H new ATOM 578 N VAL A 40 0.620 -8.330 0.484 1.00 0.00 N ATOM 579 CA VAL A 40 1.157 -8.170 1.828 1.00 0.00 C ATOM 580 C VAL A 40 0.027 -8.446 2.848 1.00 0.00 C ATOM 581 O VAL A 40 -1.034 -7.811 2.761 1.00 0.00 O ATOM 582 CB VAL A 40 1.747 -6.723 2.035 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.364 -6.538 3.438 1.00 0.00 C ATOM 584 CG2 VAL A 40 2.768 -6.386 0.929 1.00 0.00 C ATOM 0 H VAL A 40 0.278 -7.457 0.082 1.00 0.00 H new ATOM 0 HA VAL A 40 1.972 -8.878 1.977 1.00 0.00 H new ATOM 0 HB VAL A 40 0.916 -6.022 1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.757 -5.526 3.532 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.599 -6.702 4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.173 -7.255 3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.162 -5.383 1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.586 -7.106 0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.278 -6.430 -0.044 1.00 0.00 H new ATOM 594 N PRO A 41 0.206 -9.432 3.783 1.00 0.00 N ATOM 595 CA PRO A 41 -0.771 -9.695 4.872 1.00 0.00 C ATOM 596 C PRO A 41 -0.752 -8.562 5.924 1.00 0.00 C ATOM 597 O PRO A 41 0.241 -7.837 6.021 1.00 0.00 O ATOM 598 CB PRO A 41 -0.282 -11.039 5.463 1.00 0.00 C ATOM 599 CG PRO A 41 1.184 -11.072 5.175 1.00 0.00 C ATOM 600 CD PRO A 41 1.360 -10.375 3.845 1.00 0.00 C ATOM 0 HA PRO A 41 -1.804 -9.738 4.526 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.476 -11.094 6.534 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.795 -11.883 5.002 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.748 -10.566 5.959 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.550 -12.098 5.130 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.312 -9.847 3.793 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.343 -11.083 3.017 1.00 0.00 H new ATOM 608 N ARG A 42 -1.845 -8.440 6.705 1.00 0.00 N ATOM 609 CA ARG A 42 -1.998 -7.357 7.702 1.00 0.00 C ATOM 610 C ARG A 42 -0.907 -7.414 8.787 1.00 0.00 C ATOM 611 O ARG A 42 -0.427 -6.374 9.253 1.00 0.00 O ATOM 612 CB ARG A 42 -3.401 -7.393 8.344 1.00 0.00 C ATOM 613 CG ARG A 42 -3.686 -6.203 9.277 1.00 0.00 C ATOM 614 CD ARG A 42 -5.072 -6.274 9.917 1.00 0.00 C ATOM 615 NE ARG A 42 -6.142 -6.327 8.916 1.00 0.00 N ATOM 616 CZ ARG A 42 -7.455 -6.268 9.184 1.00 0.00 C ATOM 617 NH1 ARG A 42 -7.901 -6.125 10.436 1.00 0.00 N ATOM 618 NH2 ARG A 42 -8.310 -6.361 8.184 1.00 0.00 N ATOM 0 H ARG A 42 -2.638 -9.080 6.665 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.882 -6.413 7.169 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.152 -7.412 7.554 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.509 -8.319 8.908 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.929 -6.172 10.061 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.598 -5.275 8.712 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.131 -7.155 10.556 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.219 -5.405 10.558 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.866 -6.416 7.938 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.239 -6.059 11.209 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.904 -6.082 10.618 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.968 -6.475 7.230 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.313 -6.319 8.365 1.00 0.00 H new ATOM 632 N GLY A 43 -0.489 -8.644 9.132 1.00 0.00 N ATOM 633 CA GLY A 43 0.621 -8.872 10.061 1.00 0.00 C ATOM 634 C GLY A 43 1.975 -8.379 9.548 1.00 0.00 C ATOM 635 O GLY A 43 2.959 -8.398 10.291 1.00 0.00 O ATOM 0 H GLY A 43 -0.911 -9.501 8.775 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.399 -8.374 11.005 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.691 -9.939 10.272 1.00 0.00 H new ATOM 639 N LYS A 44 2.028 -7.915 8.288 1.00 0.00 N ATOM 640 CA LYS A 44 3.224 -7.303 7.686 1.00 0.00 C ATOM 641 C LYS A 44 2.989 -5.844 7.237 1.00 0.00 C ATOM 642 O LYS A 44 3.956 -5.208 6.848 1.00 0.00 O ATOM 643 CB LYS A 44 3.724 -8.150 6.481 1.00 0.00 C ATOM 644 CG LYS A 44 4.469 -9.446 6.864 1.00 0.00 C ATOM 645 CD LYS A 44 5.056 -10.174 5.631 1.00 0.00 C ATOM 646 CE LYS A 44 5.973 -11.347 6.015 1.00 0.00 C ATOM 647 NZ LYS A 44 7.201 -10.891 6.722 1.00 0.00 N ATOM 0 H LYS A 44 1.232 -7.955 7.652 1.00 0.00 H new ATOM 0 HA LYS A 44 3.987 -7.284 8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.868 -8.410 5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.386 -7.534 5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.274 -9.207 7.559 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.785 -10.115 7.386 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.240 -10.544 5.010 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.618 -9.462 5.027 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.425 -12.041 6.652 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.255 -11.895 5.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.880 -11.677 6.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.630 -10.102 6.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.952 -10.575 7.681 1.00 0.00 H new ATOM 661 N TRP A 45 1.743 -5.308 7.287 1.00 0.00 N ATOM 662 CA TRP A 45 1.457 -3.911 6.818 1.00 0.00 C ATOM 663 C TRP A 45 2.353 -2.873 7.546 1.00 0.00 C ATOM 664 O TRP A 45 2.948 -1.995 6.911 1.00 0.00 O ATOM 665 CB TRP A 45 -0.045 -3.520 6.970 1.00 0.00 C ATOM 666 CG TRP A 45 -1.001 -4.216 6.025 1.00 0.00 C ATOM 667 CD1 TRP A 45 -0.693 -5.126 5.061 1.00 0.00 C ATOM 668 CD2 TRP A 45 -2.432 -4.034 5.945 1.00 0.00 C ATOM 669 NE1 TRP A 45 -1.827 -5.560 4.434 1.00 0.00 N ATOM 670 CE2 TRP A 45 -2.904 -4.894 4.940 1.00 0.00 C ATOM 671 CE3 TRP A 45 -3.349 -3.236 6.633 1.00 0.00 C ATOM 672 CZ2 TRP A 45 -4.252 -4.988 4.608 1.00 0.00 C ATOM 673 CZ3 TRP A 45 -4.690 -3.325 6.296 1.00 0.00 C ATOM 674 CH2 TRP A 45 -5.130 -4.194 5.292 1.00 0.00 C ATOM 0 H TRP A 45 0.926 -5.806 7.640 1.00 0.00 H new ATOM 0 HA TRP A 45 1.694 -3.897 5.754 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.355 -3.732 7.993 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.138 -2.444 6.825 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.307 -5.458 4.825 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.862 -6.270 3.703 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -3.020 -2.564 7.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.592 -5.664 3.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.409 -2.712 6.818 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -6.182 -4.239 5.053 1.00 0.00 H new ATOM 685 N ASP A 46 2.449 -3.001 8.878 1.00 0.00 N ATOM 686 CA ASP A 46 3.302 -2.120 9.709 1.00 0.00 C ATOM 687 C ASP A 46 4.786 -2.461 9.490 1.00 0.00 C ATOM 688 O ASP A 46 5.633 -1.572 9.397 1.00 0.00 O ATOM 689 CB ASP A 46 2.918 -2.243 11.210 1.00 0.00 C ATOM 690 CG ASP A 46 3.672 -1.249 12.113 1.00 0.00 C ATOM 691 OD1 ASP A 46 3.206 -0.093 12.254 1.00 0.00 O ATOM 692 OD2 ASP A 46 4.731 -1.608 12.679 1.00 0.00 O ATOM 0 H ASP A 46 1.945 -3.710 9.411 1.00 0.00 H new ATOM 0 HA ASP A 46 3.138 -1.086 9.406 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.846 -2.081 11.318 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.123 -3.259 11.549 1.00 0.00 H new ATOM 697 N GLU A 47 5.068 -3.767 9.375 1.00 0.00 N ATOM 698 CA GLU A 47 6.437 -4.299 9.201 1.00 0.00 C ATOM 699 C GLU A 47 7.049 -3.925 7.838 1.00 0.00 C ATOM 700 O GLU A 47 8.277 -3.909 7.688 1.00 0.00 O ATOM 701 CB GLU A 47 6.413 -5.845 9.359 1.00 0.00 C ATOM 702 CG GLU A 47 5.840 -6.350 10.693 1.00 0.00 C ATOM 703 CD GLU A 47 6.624 -5.860 11.917 1.00 0.00 C ATOM 704 OE1 GLU A 47 7.734 -6.368 12.163 1.00 0.00 O ATOM 705 OE2 GLU A 47 6.138 -4.961 12.640 1.00 0.00 O ATOM 0 H GLU A 47 4.351 -4.492 9.400 1.00 0.00 H new ATOM 0 HA GLU A 47 7.064 -3.847 9.969 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.827 -6.270 8.544 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.430 -6.223 9.251 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.803 -6.025 10.781 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.833 -7.440 10.688 1.00 0.00 H new ATOM 712 N THR A 48 6.197 -3.615 6.850 1.00 0.00 N ATOM 713 CA THR A 48 6.622 -3.308 5.478 1.00 0.00 C ATOM 714 C THR A 48 6.648 -1.777 5.274 1.00 0.00 C ATOM 715 O THR A 48 5.669 -1.097 5.614 1.00 0.00 O ATOM 716 CB THR A 48 5.669 -3.989 4.431 1.00 0.00 C ATOM 717 OG1 THR A 48 5.621 -5.410 4.666 1.00 0.00 O ATOM 718 CG2 THR A 48 6.123 -3.760 2.988 1.00 0.00 C ATOM 0 H THR A 48 5.187 -3.570 6.982 1.00 0.00 H new ATOM 0 HA THR A 48 7.625 -3.706 5.323 1.00 0.00 H new ATOM 0 HB THR A 48 4.687 -3.534 4.559 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.066 -5.593 5.453 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.429 -4.252 2.306 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.142 -2.691 2.778 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.122 -4.174 2.851 1.00 0.00 H new ATOM 726 N PRO A 49 7.783 -1.196 4.776 1.00 0.00 N ATOM 727 CA PRO A 49 7.862 0.240 4.450 1.00 0.00 C ATOM 728 C PRO A 49 7.302 0.585 3.047 1.00 0.00 C ATOM 729 O PRO A 49 7.043 -0.303 2.225 1.00 0.00 O ATOM 730 CB PRO A 49 9.376 0.518 4.552 1.00 0.00 C ATOM 731 CG PRO A 49 10.028 -0.760 4.119 1.00 0.00 C ATOM 732 CD PRO A 49 9.094 -1.876 4.551 1.00 0.00 C ATOM 0 HA PRO A 49 7.253 0.853 5.114 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.670 1.349 3.911 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.662 0.783 5.570 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.179 -0.774 3.040 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.009 -0.873 4.580 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.015 -2.647 3.785 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.450 -2.363 5.459 1.00 0.00 H new ATOM 740 N VAL A 50 7.104 1.895 2.808 1.00 0.00 N ATOM 741 CA VAL A 50 6.675 2.447 1.509 1.00 0.00 C ATOM 742 C VAL A 50 7.806 3.330 0.961 1.00 0.00 C ATOM 743 O VAL A 50 8.264 4.238 1.664 1.00 0.00 O ATOM 744 CB VAL A 50 5.366 3.319 1.659 1.00 0.00 C ATOM 745 CG1 VAL A 50 4.911 3.913 0.311 1.00 0.00 C ATOM 746 CG2 VAL A 50 4.224 2.524 2.313 1.00 0.00 C ATOM 0 H VAL A 50 7.240 2.610 3.522 1.00 0.00 H new ATOM 0 HA VAL A 50 6.457 1.622 0.831 1.00 0.00 H new ATOM 0 HB VAL A 50 5.620 4.149 2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.008 4.505 0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.700 4.549 -0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.703 3.105 -0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.342 3.158 2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.988 1.655 1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.532 2.195 3.305 1.00 0.00 H new ATOM 756 N THR A 51 8.264 3.063 -0.273 1.00 0.00 N ATOM 757 CA THR A 51 9.249 3.913 -0.968 1.00 0.00 C ATOM 758 C THR A 51 8.693 4.372 -2.314 1.00 0.00 C ATOM 759 O THR A 51 7.766 3.762 -2.863 1.00 0.00 O ATOM 760 CB THR A 51 10.614 3.178 -1.181 1.00 0.00 C ATOM 761 OG1 THR A 51 10.384 1.882 -1.750 1.00 0.00 O ATOM 762 CG2 THR A 51 11.412 3.029 0.120 1.00 0.00 C ATOM 0 H THR A 51 7.964 2.254 -0.817 1.00 0.00 H new ATOM 0 HA THR A 51 9.435 4.779 -0.333 1.00 0.00 H new ATOM 0 HB THR A 51 11.206 3.792 -1.860 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.989 1.981 -2.641 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.350 2.512 -0.085 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.624 4.016 0.532 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.830 2.453 0.840 1.00 0.00 H new ATOM 770 N ALA A 52 9.302 5.441 -2.831 1.00 0.00 N ATOM 771 CA ALA A 52 8.896 6.120 -4.061 1.00 0.00 C ATOM 772 C ALA A 52 9.040 5.228 -5.302 1.00 0.00 C ATOM 773 O ALA A 52 9.996 4.457 -5.413 1.00 0.00 O ATOM 774 CB ALA A 52 9.735 7.386 -4.218 1.00 0.00 C ATOM 0 H ALA A 52 10.116 5.870 -2.391 1.00 0.00 H new ATOM 0 HA ALA A 52 7.838 6.368 -3.980 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.444 7.904 -5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.571 8.040 -3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.790 7.119 -4.273 1.00 0.00 H new ATOM 780 N GLY A 53 8.078 5.348 -6.232 1.00 0.00 N ATOM 781 CA GLY A 53 8.123 4.639 -7.508 1.00 0.00 C ATOM 782 C GLY A 53 7.517 3.245 -7.463 1.00 0.00 C ATOM 783 O GLY A 53 7.279 2.646 -8.518 1.00 0.00 O ATOM 0 H GLY A 53 7.254 5.938 -6.115 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.596 5.229 -8.258 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.161 4.563 -7.833 1.00 0.00 H new ATOM 787 N ASP A 54 7.265 2.710 -6.253 1.00 0.00 N ATOM 788 CA ASP A 54 6.692 1.362 -6.082 1.00 0.00 C ATOM 789 C ASP A 54 5.191 1.332 -6.388 1.00 0.00 C ATOM 790 O ASP A 54 4.458 2.296 -6.112 1.00 0.00 O ATOM 791 CB ASP A 54 6.978 0.832 -4.655 1.00 0.00 C ATOM 792 CG ASP A 54 8.471 0.546 -4.431 1.00 0.00 C ATOM 793 OD1 ASP A 54 9.273 1.504 -4.398 1.00 0.00 O ATOM 794 OD2 ASP A 54 8.863 -0.638 -4.315 1.00 0.00 O ATOM 0 H ASP A 54 7.451 3.195 -5.375 1.00 0.00 H new ATOM 0 HA ASP A 54 7.176 0.704 -6.804 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.636 1.563 -3.922 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.406 -0.080 -4.486 1.00 0.00 H new ATOM 799 N GLU A 55 4.751 0.204 -6.960 1.00 0.00 N ATOM 800 CA GLU A 55 3.371 -0.014 -7.394 1.00 0.00 C ATOM 801 C GLU A 55 2.565 -0.699 -6.274 1.00 0.00 C ATOM 802 O GLU A 55 2.657 -1.913 -6.060 1.00 0.00 O ATOM 803 CB GLU A 55 3.353 -0.858 -8.691 1.00 0.00 C ATOM 804 CG GLU A 55 1.948 -1.146 -9.230 1.00 0.00 C ATOM 805 CD GLU A 55 1.957 -1.903 -10.556 1.00 0.00 C ATOM 806 OE1 GLU A 55 2.093 -1.255 -11.611 1.00 0.00 O ATOM 807 OE2 GLU A 55 1.835 -3.138 -10.549 1.00 0.00 O ATOM 0 H GLU A 55 5.358 -0.596 -7.136 1.00 0.00 H new ATOM 0 HA GLU A 55 2.904 0.948 -7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.925 -0.337 -9.459 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.860 -1.805 -8.503 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.394 -1.726 -8.492 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.415 -0.204 -9.360 1.00 0.00 H new ATOM 814 N ILE A 56 1.800 0.110 -5.547 1.00 0.00 N ATOM 815 CA ILE A 56 0.986 -0.335 -4.416 1.00 0.00 C ATOM 816 C ILE A 56 -0.463 -0.544 -4.895 1.00 0.00 C ATOM 817 O ILE A 56 -1.233 0.400 -5.025 1.00 0.00 O ATOM 818 CB ILE A 56 1.086 0.754 -3.290 1.00 0.00 C ATOM 819 CG1 ILE A 56 2.595 1.007 -2.961 1.00 0.00 C ATOM 820 CG2 ILE A 56 0.277 0.358 -2.032 1.00 0.00 C ATOM 821 CD1 ILE A 56 2.867 2.176 -2.057 1.00 0.00 C ATOM 0 H ILE A 56 1.726 1.111 -5.729 1.00 0.00 H new ATOM 0 HA ILE A 56 1.339 -1.284 -4.012 1.00 0.00 H new ATOM 0 HB ILE A 56 0.641 1.682 -3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.005 0.109 -2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.133 1.159 -3.896 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.373 1.138 -1.277 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.773 0.237 -2.298 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.661 -0.581 -1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.941 2.265 -1.891 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.494 3.089 -2.521 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.364 2.023 -1.102 1.00 0.00 H new ATOM 833 N GLU A 57 -0.801 -1.792 -5.195 1.00 0.00 N ATOM 834 CA GLU A 57 -2.118 -2.176 -5.722 1.00 0.00 C ATOM 835 C GLU A 57 -3.007 -2.666 -4.573 1.00 0.00 C ATOM 836 O GLU A 57 -2.787 -3.749 -4.052 1.00 0.00 O ATOM 837 CB GLU A 57 -1.924 -3.289 -6.791 1.00 0.00 C ATOM 838 CG GLU A 57 -3.217 -3.770 -7.467 1.00 0.00 C ATOM 839 CD GLU A 57 -3.998 -2.651 -8.178 1.00 0.00 C ATOM 840 OE1 GLU A 57 -3.404 -1.934 -9.013 1.00 0.00 O ATOM 841 OE2 GLU A 57 -5.209 -2.506 -7.928 1.00 0.00 O ATOM 0 H GLU A 57 -0.165 -2.581 -5.080 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.606 -1.320 -6.188 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.245 -2.920 -7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.438 -4.144 -6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.970 -4.546 -8.192 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.860 -4.229 -6.716 1.00 0.00 H new ATOM 848 N ILE A 58 -3.998 -1.861 -4.175 1.00 0.00 N ATOM 849 CA ILE A 58 -4.884 -2.185 -3.036 1.00 0.00 C ATOM 850 C ILE A 58 -6.160 -2.863 -3.554 1.00 0.00 C ATOM 851 O ILE A 58 -6.973 -2.248 -4.249 1.00 0.00 O ATOM 852 CB ILE A 58 -5.239 -0.895 -2.201 1.00 0.00 C ATOM 853 CG1 ILE A 58 -3.934 -0.224 -1.659 1.00 0.00 C ATOM 854 CG2 ILE A 58 -6.233 -1.216 -1.054 1.00 0.00 C ATOM 855 CD1 ILE A 58 -4.153 1.025 -0.826 1.00 0.00 C ATOM 0 H ILE A 58 -4.213 -0.971 -4.625 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.358 -2.870 -2.371 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.737 -0.186 -2.863 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.392 -0.953 -1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.295 0.029 -2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.455 -0.304 -0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.155 -1.620 -1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.788 -1.950 -0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.190 1.416 -0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.664 1.778 -1.426 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.762 0.780 0.044 1.00 0.00 H new ATOM 867 N LEU A 59 -6.348 -4.130 -3.190 1.00 0.00 N ATOM 868 CA LEU A 59 -7.480 -4.948 -3.654 1.00 0.00 C ATOM 869 C LEU A 59 -8.270 -5.488 -2.464 1.00 0.00 C ATOM 870 O LEU A 59 -7.733 -5.614 -1.372 1.00 0.00 O ATOM 871 CB LEU A 59 -7.017 -6.083 -4.647 1.00 0.00 C ATOM 872 CG LEU A 59 -5.893 -7.122 -4.224 1.00 0.00 C ATOM 873 CD1 LEU A 59 -4.535 -6.456 -3.930 1.00 0.00 C ATOM 874 CD2 LEU A 59 -6.317 -8.048 -3.059 1.00 0.00 C ATOM 0 H LEU A 59 -5.718 -4.627 -2.560 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.152 -4.310 -4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.904 -6.660 -4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.673 -5.592 -5.557 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.763 -7.755 -5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.810 -7.219 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.185 -5.935 -4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.649 -5.742 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.502 -8.732 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.551 -7.445 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.197 -8.620 -3.351 1.00 0.00 H new