USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 426 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0371 F(o=-1.4!,f=-0.037) USER MOD Single : A 51 MET CE :methyl -167:sc= -3.01! (180deg=-3.94!) USER MOD Single : A 53 ASN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 60 ASN : amide:sc= -1.63 K(o=-1.6,f=-4.2!) USER MOD Single : A 62 THR OG1 : rot 120:sc= -1.03 USER MOD Single : A 70 THR OG1 : rot 101:sc= 1.24 USER MOD Single : A 71 MET CE :methyl -136:sc= -0.0316 (180deg=-1.28) USER MOD Single : A 72 MET CE :methyl 174:sc= -0.809 (180deg=-0.989) USER MOD Single : A 94 LYS NZ :NH3+ 140:sc= 1.23 (180deg=1.02) USER MOD Single : A 97 ASN :FLIP amide:sc= -2.01! C(o=-5.7!,f=-2!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 110:sc= 0.246 USER MOD Single : A 107 HIS : no HD1:sc= -3.85! C(o=-3.9!,f=-3.5!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -38:sc= 0.227 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.0235 F(o=-0.93,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 48 14.176 0.378 -2.721 1.00 0.00 N ATOM 29 CA LEU A 48 12.837 0.363 -2.150 1.00 0.00 C ATOM 30 C LEU A 48 12.628 1.608 -1.304 1.00 0.00 C ATOM 31 O LEU A 48 11.527 2.151 -1.242 1.00 0.00 O ATOM 32 CB LEU A 48 12.620 -0.897 -1.306 1.00 0.00 C ATOM 33 CG LEU A 48 12.520 -2.197 -2.102 1.00 0.00 C ATOM 34 CD1 LEU A 48 12.572 -3.399 -1.172 1.00 0.00 C ATOM 35 CD2 LEU A 48 11.233 -2.205 -2.911 1.00 0.00 C ATOM 0 HA LEU A 48 12.110 0.355 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.441 -0.986 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.707 -0.774 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 48 13.368 -2.260 -2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.499 -4.315 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 48 13.513 -3.393 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.741 -3.351 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.165 -3.134 -3.477 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.379 -2.127 -2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.230 -1.359 -3.599 1.00 0.00 H new ATOM 47 N GLN A 49 13.706 2.066 -0.675 1.00 0.00 N ATOM 48 CA GLN A 49 13.681 3.279 0.136 1.00 0.00 C ATOM 49 C GLN A 49 13.297 4.483 -0.718 1.00 0.00 C ATOM 50 O GLN A 49 12.630 5.403 -0.249 1.00 0.00 O ATOM 51 CB GLN A 49 15.048 3.503 0.783 1.00 0.00 C ATOM 52 CG GLN A 49 15.087 4.659 1.768 1.00 0.00 C ATOM 53 CD GLN A 49 16.423 4.776 2.471 1.00 0.00 C ATOM 54 OE1 GLN A 49 17.087 3.649 2.665 1.00 0.00 O flip ATOM 55 NE2 GLN A 49 16.852 5.867 2.843 1.00 0.00 N flip ATOM 0 H GLN A 49 14.617 1.610 -0.712 1.00 0.00 H new ATOM 0 HA GLN A 49 12.934 3.160 0.921 1.00 0.00 H new ATOM 0 HB2 GLN A 49 15.348 2.591 1.298 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.784 3.683 -0.001 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.875 5.589 1.241 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.300 4.527 2.510 1.00 0.00 H new ATOM 0 HE21 GLN A 49 16.308 6.713 2.674 1.00 0.00 H new ATOM 0 HE22 GLN A 49 17.751 5.925 3.321 1.00 0.00 H new ATOM 64 N ASP A 50 13.719 4.456 -1.978 1.00 0.00 N ATOM 65 CA ASP A 50 13.339 5.478 -2.953 1.00 0.00 C ATOM 66 C ASP A 50 11.819 5.578 -3.055 1.00 0.00 C ATOM 67 O ASP A 50 11.233 6.656 -2.885 1.00 0.00 O ATOM 68 CB ASP A 50 13.938 5.131 -4.321 1.00 0.00 C ATOM 69 CG ASP A 50 13.384 5.976 -5.450 1.00 0.00 C ATOM 70 OD1 ASP A 50 13.933 7.067 -5.707 1.00 0.00 O ATOM 71 OD2 ASP A 50 12.411 5.539 -6.099 1.00 0.00 O ATOM 0 H ASP A 50 14.330 3.731 -2.353 1.00 0.00 H new ATOM 0 HA ASP A 50 13.726 6.443 -2.625 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.020 5.258 -4.279 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.748 4.080 -4.537 1.00 0.00 H new ATOM 76 N MET A 51 11.182 4.439 -3.294 1.00 0.00 N ATOM 77 CA MET A 51 9.735 4.393 -3.423 1.00 0.00 C ATOM 78 C MET A 51 9.076 4.707 -2.085 1.00 0.00 C ATOM 79 O MET A 51 7.992 5.285 -2.040 1.00 0.00 O ATOM 80 CB MET A 51 9.274 3.027 -3.930 1.00 0.00 C ATOM 81 CG MET A 51 7.797 2.973 -4.301 1.00 0.00 C ATOM 82 SD MET A 51 7.465 3.492 -6.005 1.00 0.00 S ATOM 83 CE MET A 51 8.091 5.174 -6.024 1.00 0.00 C ATOM 0 H MET A 51 11.646 3.537 -3.402 1.00 0.00 H new ATOM 0 HA MET A 51 9.435 5.146 -4.152 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.868 2.755 -4.802 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.473 2.279 -3.163 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.432 1.956 -4.161 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.235 3.610 -3.619 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.745 5.681 -6.925 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.727 5.707 -5.146 1.00 0.00 H new ATOM 0 HE3 MET A 51 9.181 5.157 -6.013 1.00 0.00 H new ATOM 93 N ILE A 52 9.749 4.348 -0.994 1.00 0.00 N ATOM 94 CA ILE A 52 9.257 4.681 0.338 1.00 0.00 C ATOM 95 C ILE A 52 9.243 6.194 0.512 1.00 0.00 C ATOM 96 O ILE A 52 8.239 6.765 0.906 1.00 0.00 O ATOM 97 CB ILE A 52 10.115 4.049 1.463 1.00 0.00 C ATOM 98 CG1 ILE A 52 10.009 2.524 1.426 1.00 0.00 C ATOM 99 CG2 ILE A 52 9.687 4.578 2.829 1.00 0.00 C ATOM 100 CD1 ILE A 52 10.890 1.823 2.437 1.00 0.00 C ATOM 0 H ILE A 52 10.628 3.831 -1.006 1.00 0.00 H new ATOM 0 HA ILE A 52 8.250 4.273 0.421 1.00 0.00 H new ATOM 0 HB ILE A 52 11.155 4.329 1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.972 2.237 1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.271 2.176 0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.302 4.122 3.605 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.813 5.660 2.856 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.640 4.330 3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.759 0.745 2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 52 11.933 2.078 2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.614 2.141 3.442 1.00 0.00 H new ATOM 112 N ASN A 53 10.355 6.832 0.168 1.00 0.00 N ATOM 113 CA ASN A 53 10.499 8.280 0.324 1.00 0.00 C ATOM 114 C ASN A 53 9.445 9.045 -0.467 1.00 0.00 C ATOM 115 O ASN A 53 9.067 10.155 -0.091 1.00 0.00 O ATOM 116 CB ASN A 53 11.898 8.733 -0.105 1.00 0.00 C ATOM 117 CG ASN A 53 12.940 8.572 0.991 1.00 0.00 C ATOM 118 OD1 ASN A 53 12.755 7.592 1.863 1.00 0.00 O flip ATOM 119 ND2 ASN A 53 13.910 9.327 1.053 1.00 0.00 N flip ATOM 0 H ASN A 53 11.176 6.370 -0.223 1.00 0.00 H new ATOM 0 HA ASN A 53 10.355 8.504 1.381 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.207 8.159 -0.979 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.857 9.779 -0.409 1.00 0.00 H new ATOM 0 HD21 ASN A 53 14.022 10.072 0.365 1.00 0.00 H new ATOM 0 HD22 ASN A 53 14.602 9.208 1.793 1.00 0.00 H new ATOM 126 N GLU A 54 8.974 8.467 -1.568 1.00 0.00 N ATOM 127 CA GLU A 54 7.923 9.103 -2.356 1.00 0.00 C ATOM 128 C GLU A 54 6.536 8.844 -1.759 1.00 0.00 C ATOM 129 O GLU A 54 5.735 9.770 -1.612 1.00 0.00 O ATOM 130 CB GLU A 54 7.951 8.606 -3.805 1.00 0.00 C ATOM 131 CG GLU A 54 6.831 9.190 -4.657 1.00 0.00 C ATOM 132 CD GLU A 54 6.817 8.656 -6.072 1.00 0.00 C ATOM 133 OE1 GLU A 54 7.537 9.213 -6.929 1.00 0.00 O ATOM 134 OE2 GLU A 54 6.068 7.693 -6.343 1.00 0.00 O ATOM 0 H GLU A 54 9.298 7.571 -1.932 1.00 0.00 H new ATOM 0 HA GLU A 54 8.116 10.176 -2.337 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.911 8.862 -4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.876 7.519 -3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.873 8.973 -4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.934 10.275 -4.686 1.00 0.00 H new ATOM 141 N VAL A 55 6.267 7.593 -1.405 1.00 0.00 N ATOM 142 CA VAL A 55 4.922 7.187 -0.998 1.00 0.00 C ATOM 143 C VAL A 55 4.647 7.495 0.480 1.00 0.00 C ATOM 144 O VAL A 55 3.507 7.767 0.866 1.00 0.00 O ATOM 145 CB VAL A 55 4.712 5.678 -1.268 1.00 0.00 C ATOM 146 CG1 VAL A 55 3.331 5.225 -0.829 1.00 0.00 C ATOM 147 CG2 VAL A 55 4.920 5.370 -2.744 1.00 0.00 C ATOM 0 H VAL A 55 6.958 6.843 -1.391 1.00 0.00 H new ATOM 0 HA VAL A 55 4.217 7.767 -1.593 1.00 0.00 H new ATOM 0 HB VAL A 55 5.449 5.129 -0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.216 4.160 -1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.211 5.405 0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.573 5.784 -1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.769 4.305 -2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.206 5.940 -3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.934 5.645 -3.034 1.00 0.00 H new ATOM 157 N ASP A 56 5.691 7.446 1.296 1.00 0.00 N ATOM 158 CA ASP A 56 5.575 7.755 2.722 1.00 0.00 C ATOM 159 C ASP A 56 5.311 9.243 2.948 1.00 0.00 C ATOM 160 O ASP A 56 6.213 10.023 3.261 1.00 0.00 O ATOM 161 CB ASP A 56 6.828 7.317 3.464 1.00 0.00 C ATOM 162 CG ASP A 56 6.703 7.520 4.951 1.00 0.00 C ATOM 163 OD1 ASP A 56 5.594 7.326 5.485 1.00 0.00 O ATOM 164 OD2 ASP A 56 7.710 7.900 5.591 1.00 0.00 O ATOM 0 H ASP A 56 6.633 7.195 0.997 1.00 0.00 H new ATOM 0 HA ASP A 56 4.723 7.201 3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.023 6.265 3.257 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.685 7.879 3.092 1.00 0.00 H new ATOM 169 N ALA A 57 4.057 9.607 2.762 1.00 0.00 N ATOM 170 CA ALA A 57 3.616 11.000 2.845 1.00 0.00 C ATOM 171 C ALA A 57 3.623 11.551 4.268 1.00 0.00 C ATOM 172 O ALA A 57 3.838 12.743 4.475 1.00 0.00 O ATOM 173 CB ALA A 57 2.227 11.134 2.242 1.00 0.00 C ATOM 0 H ALA A 57 3.308 8.949 2.548 1.00 0.00 H new ATOM 0 HA ALA A 57 4.334 11.594 2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.901 12.172 2.305 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.253 10.825 1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.530 10.501 2.791 1.00 0.00 H new ATOM 179 N ASP A 58 3.388 10.695 5.246 1.00 0.00 N ATOM 180 CA ASP A 58 3.252 11.135 6.631 1.00 0.00 C ATOM 181 C ASP A 58 4.527 10.890 7.426 1.00 0.00 C ATOM 182 O ASP A 58 4.720 11.466 8.498 1.00 0.00 O ATOM 183 CB ASP A 58 2.081 10.410 7.298 1.00 0.00 C ATOM 184 CG ASP A 58 2.183 8.903 7.161 1.00 0.00 C ATOM 185 OD1 ASP A 58 3.035 8.415 6.421 1.00 0.00 O ATOM 186 OD2 ASP A 58 1.423 8.170 7.829 1.00 0.00 O ATOM 0 H ASP A 58 3.287 9.689 5.111 1.00 0.00 H new ATOM 0 HA ASP A 58 3.062 12.208 6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.047 10.675 8.355 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.146 10.750 6.854 1.00 0.00 H new ATOM 191 N GLY A 59 5.387 10.031 6.907 1.00 0.00 N ATOM 192 CA GLY A 59 6.668 9.801 7.535 1.00 0.00 C ATOM 193 C GLY A 59 6.684 8.584 8.440 1.00 0.00 C ATOM 194 O GLY A 59 7.686 8.323 9.108 1.00 0.00 O ATOM 0 H GLY A 59 5.220 9.488 6.060 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.427 9.680 6.762 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.943 10.681 8.117 1.00 0.00 H new ATOM 198 N ASN A 60 5.584 7.836 8.477 1.00 0.00 N ATOM 199 CA ASN A 60 5.515 6.630 9.301 1.00 0.00 C ATOM 200 C ASN A 60 6.209 5.448 8.618 1.00 0.00 C ATOM 201 O ASN A 60 6.339 4.372 9.198 1.00 0.00 O ATOM 202 CB ASN A 60 4.051 6.300 9.660 1.00 0.00 C ATOM 203 CG ASN A 60 3.176 5.887 8.482 1.00 0.00 C ATOM 204 OD1 ASN A 60 3.521 6.089 7.320 1.00 0.00 O ATOM 205 ND2 ASN A 60 2.001 5.342 8.778 1.00 0.00 N ATOM 0 H ASN A 60 4.734 8.040 7.951 1.00 0.00 H new ATOM 0 HA ASN A 60 6.051 6.822 10.230 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.046 5.496 10.396 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.604 7.172 10.137 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.358 5.079 8.031 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.742 5.186 9.752 1.00 0.00 H new ATOM 212 N GLY A 61 6.651 5.660 7.384 1.00 0.00 N ATOM 213 CA GLY A 61 7.438 4.662 6.681 1.00 0.00 C ATOM 214 C GLY A 61 6.576 3.712 5.881 1.00 0.00 C ATOM 215 O GLY A 61 7.054 2.701 5.361 1.00 0.00 O ATOM 0 H GLY A 61 6.477 6.513 6.853 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.141 5.161 6.014 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.029 4.095 7.401 1.00 0.00 H new ATOM 219 N THR A 62 5.301 4.041 5.774 1.00 0.00 N ATOM 220 CA THR A 62 4.344 3.143 5.169 1.00 0.00 C ATOM 221 C THR A 62 3.109 3.913 4.728 1.00 0.00 C ATOM 222 O THR A 62 2.940 5.101 5.053 1.00 0.00 O ATOM 223 CB THR A 62 3.944 2.024 6.166 1.00 0.00 C ATOM 224 OG1 THR A 62 3.133 1.032 5.518 1.00 0.00 O ATOM 225 CG2 THR A 62 3.190 2.596 7.357 1.00 0.00 C ATOM 0 H THR A 62 4.908 4.924 6.099 1.00 0.00 H new ATOM 0 HA THR A 62 4.806 2.683 4.295 1.00 0.00 H new ATOM 0 HB THR A 62 4.863 1.559 6.522 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.579 0.161 5.569 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.922 1.789 8.039 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.823 3.316 7.876 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.284 3.093 7.010 1.00 0.00 H new ATOM 233 N ILE A 63 2.263 3.246 3.972 1.00 0.00 N ATOM 234 CA ILE A 63 0.956 3.765 3.656 1.00 0.00 C ATOM 235 C ILE A 63 -0.049 3.214 4.663 1.00 0.00 C ATOM 236 O ILE A 63 0.036 2.044 5.050 1.00 0.00 O ATOM 237 CB ILE A 63 0.544 3.401 2.207 1.00 0.00 C ATOM 238 CG1 ILE A 63 0.481 4.663 1.347 1.00 0.00 C ATOM 239 CG2 ILE A 63 -0.779 2.650 2.165 1.00 0.00 C ATOM 240 CD1 ILE A 63 0.046 4.409 -0.079 1.00 0.00 C ATOM 0 H ILE A 63 2.464 2.334 3.563 1.00 0.00 H new ATOM 0 HA ILE A 63 0.976 4.853 3.719 1.00 0.00 H new ATOM 0 HB ILE A 63 1.304 2.733 1.801 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.209 5.371 1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.463 5.135 1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.031 2.414 1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.691 1.726 2.737 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.564 3.271 2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.025 5.351 -0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.748 3.727 -0.558 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.950 3.966 -0.082 1.00 0.00 H new ATOM 252 N ASP A 64 -0.971 4.058 5.094 1.00 0.00 N ATOM 253 CA ASP A 64 -2.023 3.662 6.017 1.00 0.00 C ATOM 254 C ASP A 64 -3.322 3.721 5.236 1.00 0.00 C ATOM 255 O ASP A 64 -3.303 4.104 4.066 1.00 0.00 O ATOM 256 CB ASP A 64 -2.065 4.606 7.233 1.00 0.00 C ATOM 257 CG ASP A 64 -3.028 4.160 8.326 1.00 0.00 C ATOM 258 OD1 ASP A 64 -3.466 2.991 8.308 1.00 0.00 O ATOM 259 OD2 ASP A 64 -3.353 4.983 9.209 1.00 0.00 O ATOM 0 H ASP A 64 -1.012 5.038 4.814 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.849 2.659 6.407 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.063 4.685 7.655 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.349 5.603 6.897 1.00 0.00 H new ATOM 264 N PHE A 65 -4.432 3.359 5.847 1.00 0.00 N ATOM 265 CA PHE A 65 -5.717 3.390 5.157 1.00 0.00 C ATOM 266 C PHE A 65 -6.013 4.768 4.546 1.00 0.00 C ATOM 267 O PHE A 65 -6.338 4.852 3.358 1.00 0.00 O ATOM 268 CB PHE A 65 -6.845 2.933 6.082 1.00 0.00 C ATOM 269 CG PHE A 65 -6.798 1.460 6.352 1.00 0.00 C ATOM 270 CD1 PHE A 65 -5.988 0.951 7.350 1.00 0.00 C ATOM 271 CD2 PHE A 65 -7.549 0.584 5.590 1.00 0.00 C ATOM 272 CE1 PHE A 65 -5.928 -0.407 7.587 1.00 0.00 C ATOM 273 CE2 PHE A 65 -7.491 -0.775 5.818 1.00 0.00 C ATOM 274 CZ PHE A 65 -6.679 -1.273 6.819 1.00 0.00 C ATOM 0 H PHE A 65 -4.476 3.041 6.815 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.656 2.686 4.327 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.780 3.475 7.025 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.805 3.187 5.633 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.395 1.624 7.951 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.188 0.968 4.808 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.294 -0.791 8.372 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.080 -1.450 5.214 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.632 -2.337 7.000 1.00 0.00 H new ATOM 284 N PRO A 66 -5.900 5.871 5.325 1.00 0.00 N ATOM 285 CA PRO A 66 -6.063 7.223 4.779 1.00 0.00 C ATOM 286 C PRO A 66 -5.079 7.512 3.646 1.00 0.00 C ATOM 287 O PRO A 66 -5.462 8.066 2.611 1.00 0.00 O ATOM 288 CB PRO A 66 -5.788 8.140 5.976 1.00 0.00 C ATOM 289 CG PRO A 66 -6.039 7.292 7.173 1.00 0.00 C ATOM 290 CD PRO A 66 -5.646 5.898 6.779 1.00 0.00 C ATOM 0 HA PRO A 66 -7.052 7.365 4.343 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.763 8.511 5.962 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -6.443 9.011 5.965 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.454 7.637 8.026 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -7.087 7.334 7.468 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.600 5.695 7.008 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.239 5.149 7.305 1.00 0.00 H new ATOM 298 N GLU A 67 -3.816 7.119 3.830 1.00 0.00 N ATOM 299 CA GLU A 67 -2.790 7.363 2.819 1.00 0.00 C ATOM 300 C GLU A 67 -3.119 6.643 1.513 1.00 0.00 C ATOM 301 O GLU A 67 -3.151 7.259 0.448 1.00 0.00 O ATOM 302 CB GLU A 67 -1.418 6.898 3.309 1.00 0.00 C ATOM 303 CG GLU A 67 -0.933 7.584 4.573 1.00 0.00 C ATOM 304 CD GLU A 67 0.460 7.135 4.977 1.00 0.00 C ATOM 305 OE1 GLU A 67 1.456 7.628 4.429 1.00 0.00 O ATOM 306 OE2 GLU A 67 0.604 6.283 5.866 1.00 0.00 O ATOM 0 H GLU A 67 -3.483 6.634 4.664 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.767 8.438 2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.455 5.823 3.486 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.688 7.066 2.517 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.934 8.663 4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.629 7.376 5.386 1.00 0.00 H new ATOM 313 N PHE A 68 -3.371 5.339 1.614 1.00 0.00 N ATOM 314 CA PHE A 68 -3.579 4.492 0.442 1.00 0.00 C ATOM 315 C PHE A 68 -4.738 4.991 -0.405 1.00 0.00 C ATOM 316 O PHE A 68 -4.597 5.159 -1.612 1.00 0.00 O ATOM 317 CB PHE A 68 -3.836 3.043 0.864 1.00 0.00 C ATOM 318 CG PHE A 68 -3.711 2.043 -0.257 1.00 0.00 C ATOM 319 CD1 PHE A 68 -2.514 1.894 -0.939 1.00 0.00 C ATOM 320 CD2 PHE A 68 -4.797 1.268 -0.641 1.00 0.00 C ATOM 321 CE1 PHE A 68 -2.400 0.987 -1.975 1.00 0.00 C ATOM 322 CE2 PHE A 68 -4.688 0.359 -1.677 1.00 0.00 C ATOM 323 CZ PHE A 68 -3.472 0.177 -2.306 1.00 0.00 C ATOM 0 H PHE A 68 -3.436 4.843 2.503 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.670 4.536 -0.158 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.134 2.776 1.654 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.837 2.972 1.290 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.661 2.493 -0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.739 1.377 -0.124 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.474 0.910 -2.526 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.551 -0.207 -1.994 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.358 -0.594 -3.053 1.00 0.00 H new ATOM 333 N LEU A 69 -5.872 5.249 0.233 1.00 0.00 N ATOM 334 CA LEU A 69 -7.060 5.676 -0.492 1.00 0.00 C ATOM 335 C LEU A 69 -6.869 7.045 -1.125 1.00 0.00 C ATOM 336 O LEU A 69 -7.303 7.273 -2.253 1.00 0.00 O ATOM 337 CB LEU A 69 -8.292 5.679 0.412 1.00 0.00 C ATOM 338 CG LEU A 69 -9.123 4.401 0.350 1.00 0.00 C ATOM 339 CD1 LEU A 69 -10.432 4.573 1.105 1.00 0.00 C ATOM 340 CD2 LEU A 69 -9.375 4.026 -1.106 1.00 0.00 C ATOM 0 H LEU A 69 -5.994 5.171 1.243 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.221 4.953 -1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.972 5.840 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.925 6.523 0.140 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.571 3.593 0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.009 3.650 1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.222 4.806 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.005 5.387 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.969 3.113 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.914 4.833 -1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.422 3.863 -1.610 1.00 0.00 H new ATOM 352 N THR A 70 -6.205 7.944 -0.416 1.00 0.00 N ATOM 353 CA THR A 70 -6.003 9.289 -0.922 1.00 0.00 C ATOM 354 C THR A 70 -4.999 9.292 -2.076 1.00 0.00 C ATOM 355 O THR A 70 -5.255 9.876 -3.120 1.00 0.00 O ATOM 356 CB THR A 70 -5.519 10.245 0.186 1.00 0.00 C ATOM 357 OG1 THR A 70 -6.421 10.201 1.302 1.00 0.00 O ATOM 358 CG2 THR A 70 -5.417 11.675 -0.330 1.00 0.00 C ATOM 0 H THR A 70 -5.800 7.768 0.504 1.00 0.00 H new ATOM 0 HA THR A 70 -6.968 9.643 -1.285 1.00 0.00 H new ATOM 0 HB THR A 70 -4.528 9.919 0.503 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.039 9.640 2.009 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.073 12.328 0.472 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.709 11.714 -1.158 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.396 12.008 -0.675 1.00 0.00 H new ATOM 366 N MET A 71 -3.863 8.635 -1.877 1.00 0.00 N ATOM 367 CA MET A 71 -2.818 8.545 -2.899 1.00 0.00 C ATOM 368 C MET A 71 -3.278 7.734 -4.106 1.00 0.00 C ATOM 369 O MET A 71 -2.860 8.004 -5.232 1.00 0.00 O ATOM 370 CB MET A 71 -1.537 7.944 -2.315 1.00 0.00 C ATOM 371 CG MET A 71 -0.790 8.895 -1.394 1.00 0.00 C ATOM 372 SD MET A 71 -0.289 10.408 -2.241 1.00 0.00 S ATOM 373 CE MET A 71 0.436 11.331 -0.888 1.00 0.00 C ATOM 0 H MET A 71 -3.637 8.150 -1.008 1.00 0.00 H new ATOM 0 HA MET A 71 -2.608 9.560 -3.238 1.00 0.00 H new ATOM 0 HB2 MET A 71 -1.788 7.038 -1.763 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.878 7.648 -3.131 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.424 9.149 -0.544 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.092 8.394 -0.995 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.098 12.366 -0.932 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.129 10.889 0.060 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.523 11.300 -0.968 1.00 0.00 H new ATOM 383 N MET A 72 -4.119 6.733 -3.874 1.00 0.00 N ATOM 384 CA MET A 72 -4.704 5.986 -4.978 1.00 0.00 C ATOM 385 C MET A 72 -5.575 6.911 -5.818 1.00 0.00 C ATOM 386 O MET A 72 -5.226 7.232 -6.950 1.00 0.00 O ATOM 387 CB MET A 72 -5.530 4.799 -4.471 1.00 0.00 C ATOM 388 CG MET A 72 -6.207 4.021 -5.588 1.00 0.00 C ATOM 389 SD MET A 72 -7.220 2.656 -4.984 1.00 0.00 S ATOM 390 CE MET A 72 -5.953 1.498 -4.483 1.00 0.00 C ATOM 0 H MET A 72 -4.407 6.424 -2.946 1.00 0.00 H new ATOM 0 HA MET A 72 -3.895 5.591 -5.592 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.881 4.126 -3.910 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.289 5.162 -3.778 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.831 4.700 -6.169 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.446 3.630 -6.264 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.416 0.644 -3.989 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.405 1.156 -5.361 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.265 1.987 -3.794 1.00 0.00 H new ATOM 400 N ALA A 73 -6.688 7.361 -5.239 1.00 0.00 N ATOM 401 CA ALA A 73 -7.598 8.298 -5.900 1.00 0.00 C ATOM 402 C ALA A 73 -6.916 9.599 -6.307 1.00 0.00 C ATOM 403 O ALA A 73 -7.474 10.375 -7.084 1.00 0.00 O ATOM 404 CB ALA A 73 -8.775 8.598 -4.988 1.00 0.00 C ATOM 0 H ALA A 73 -6.984 7.088 -4.302 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.941 7.818 -6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.450 9.296 -5.483 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.308 7.673 -4.765 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.413 9.040 -4.060 1.00 0.00 H new ATOM 410 N ARG A 74 -5.736 9.846 -5.750 1.00 0.00 N ATOM 411 CA ARG A 74 -4.957 11.031 -6.078 1.00 0.00 C ATOM 412 C ARG A 74 -4.789 11.165 -7.589 1.00 0.00 C ATOM 413 O ARG A 74 -5.031 12.226 -8.166 1.00 0.00 O ATOM 414 CB ARG A 74 -3.582 10.968 -5.414 1.00 0.00 C ATOM 415 CG ARG A 74 -2.695 12.162 -5.716 1.00 0.00 C ATOM 416 CD ARG A 74 -1.337 12.011 -5.059 1.00 0.00 C ATOM 417 NE ARG A 74 -0.434 13.103 -5.407 1.00 0.00 N ATOM 418 CZ ARG A 74 0.865 13.118 -5.114 1.00 0.00 C ATOM 419 NH1 ARG A 74 1.411 12.114 -4.431 1.00 0.00 N ATOM 420 NH2 ARG A 74 1.613 14.148 -5.488 1.00 0.00 N ATOM 0 H ARG A 74 -5.296 9.234 -5.063 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.495 11.902 -5.703 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.714 10.890 -4.335 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.074 10.060 -5.739 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.572 12.264 -6.794 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.175 13.075 -5.362 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.461 11.974 -3.977 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.892 11.063 -5.361 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.822 13.904 -5.905 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.834 11.329 -4.130 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.406 12.130 -4.209 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.193 14.925 -5.998 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.608 14.163 -5.265 1.00 0.00 H new ATOM 544 N GLU A 82 -14.511 -0.510 1.471 1.00 0.00 N ATOM 545 CA GLU A 82 -13.816 -0.546 2.755 1.00 0.00 C ATOM 546 C GLU A 82 -13.231 -1.920 3.081 1.00 0.00 C ATOM 547 O GLU A 82 -12.054 -2.021 3.438 1.00 0.00 O ATOM 548 CB GLU A 82 -14.767 -0.084 3.852 1.00 0.00 C ATOM 549 CG GLU A 82 -14.109 0.817 4.884 1.00 0.00 C ATOM 550 CD GLU A 82 -13.960 0.151 6.234 1.00 0.00 C ATOM 551 OE1 GLU A 82 -14.782 -0.731 6.563 1.00 0.00 O ATOM 552 OE2 GLU A 82 -13.009 0.489 6.971 1.00 0.00 O ATOM 0 HA GLU A 82 -12.965 0.132 2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -15.603 0.448 3.397 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -15.181 -0.958 4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -13.126 1.119 4.522 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -14.700 1.726 4.996 1.00 0.00 H new ATOM 559 N GLU A 83 -14.033 -2.969 2.946 1.00 0.00 N ATOM 560 CA GLU A 83 -13.557 -4.326 3.214 1.00 0.00 C ATOM 561 C GLU A 83 -12.490 -4.754 2.203 1.00 0.00 C ATOM 562 O GLU A 83 -11.515 -5.422 2.554 1.00 0.00 O ATOM 563 CB GLU A 83 -14.725 -5.317 3.198 1.00 0.00 C ATOM 564 CG GLU A 83 -15.453 -5.390 1.865 1.00 0.00 C ATOM 565 CD GLU A 83 -16.545 -6.436 1.855 1.00 0.00 C ATOM 566 OE1 GLU A 83 -16.221 -7.640 1.905 1.00 0.00 O ATOM 567 OE2 GLU A 83 -17.735 -6.060 1.794 1.00 0.00 O ATOM 0 H GLU A 83 -15.009 -2.911 2.655 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.103 -4.327 4.205 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.351 -6.309 3.451 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.437 -5.037 3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -15.886 -4.416 1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.735 -5.612 1.075 1.00 0.00 H new ATOM 574 N GLU A 84 -12.673 -4.337 0.956 1.00 0.00 N ATOM 575 CA GLU A 84 -11.766 -4.700 -0.126 1.00 0.00 C ATOM 576 C GLU A 84 -10.396 -4.079 0.072 1.00 0.00 C ATOM 577 O GLU A 84 -9.384 -4.690 -0.254 1.00 0.00 O ATOM 578 CB GLU A 84 -12.329 -4.254 -1.476 1.00 0.00 C ATOM 579 CG GLU A 84 -13.557 -5.026 -1.917 1.00 0.00 C ATOM 580 CD GLU A 84 -13.274 -6.498 -2.122 1.00 0.00 C ATOM 581 OE1 GLU A 84 -12.409 -6.828 -2.957 1.00 0.00 O ATOM 582 OE2 GLU A 84 -13.907 -7.332 -1.439 1.00 0.00 O ATOM 0 H GLU A 84 -13.449 -3.741 0.667 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.666 -5.785 -0.114 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.579 -3.194 -1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.554 -4.360 -2.235 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.342 -4.911 -1.170 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.936 -4.600 -2.846 1.00 0.00 H new ATOM 589 N ILE A 85 -10.365 -2.864 0.606 1.00 0.00 N ATOM 590 CA ILE A 85 -9.113 -2.168 0.806 1.00 0.00 C ATOM 591 C ILE A 85 -8.332 -2.810 1.949 1.00 0.00 C ATOM 592 O ILE A 85 -7.108 -2.877 1.902 1.00 0.00 O ATOM 593 CB ILE A 85 -9.322 -0.661 1.071 1.00 0.00 C ATOM 594 CG1 ILE A 85 -10.322 -0.075 0.067 1.00 0.00 C ATOM 595 CG2 ILE A 85 -7.994 0.085 0.964 1.00 0.00 C ATOM 596 CD1 ILE A 85 -9.875 -0.185 -1.376 1.00 0.00 C ATOM 0 H ILE A 85 -11.192 -2.347 0.905 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.537 -2.255 -0.115 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.719 -0.543 2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.278 -0.585 0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.490 0.975 0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.156 1.146 1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.294 -0.312 1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.583 -0.046 -0.037 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.634 0.251 -2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.934 0.350 -1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.735 -1.235 -1.635 1.00 0.00 H new ATOM 608 N ARG A 86 -9.042 -3.313 2.960 1.00 0.00 N ATOM 609 CA ARG A 86 -8.394 -4.076 4.026 1.00 0.00 C ATOM 610 C ARG A 86 -7.743 -5.323 3.454 1.00 0.00 C ATOM 611 O ARG A 86 -6.623 -5.681 3.822 1.00 0.00 O ATOM 612 CB ARG A 86 -9.385 -4.484 5.116 1.00 0.00 C ATOM 613 CG ARG A 86 -9.713 -3.380 6.098 1.00 0.00 C ATOM 614 CD ARG A 86 -10.482 -3.919 7.290 1.00 0.00 C ATOM 615 NE ARG A 86 -11.758 -4.508 6.894 1.00 0.00 N ATOM 616 CZ ARG A 86 -12.886 -3.812 6.815 1.00 0.00 C ATOM 617 NH1 ARG A 86 -12.873 -2.514 7.074 1.00 0.00 N ATOM 618 NH2 ARG A 86 -14.023 -4.403 6.474 1.00 0.00 N ATOM 0 H ARG A 86 -10.051 -3.208 3.063 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.638 -3.430 4.474 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.308 -4.822 4.645 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.977 -5.333 5.664 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.792 -2.907 6.439 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.301 -2.609 5.600 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.879 -4.669 7.802 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.660 -3.113 8.002 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.784 -5.502 6.667 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.000 -2.054 7.332 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.736 -1.974 7.015 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.037 -5.402 6.269 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.884 -3.858 6.416 1.00 0.00 H new ATOM 632 N GLU A 87 -8.440 -5.966 2.528 1.00 0.00 N ATOM 633 CA GLU A 87 -7.914 -7.150 1.884 1.00 0.00 C ATOM 634 C GLU A 87 -6.810 -6.758 0.915 1.00 0.00 C ATOM 635 O GLU A 87 -5.904 -7.537 0.648 1.00 0.00 O ATOM 636 CB GLU A 87 -9.018 -7.920 1.163 1.00 0.00 C ATOM 637 CG GLU A 87 -10.090 -8.461 2.096 1.00 0.00 C ATOM 638 CD GLU A 87 -9.520 -9.296 3.227 1.00 0.00 C ATOM 639 OE1 GLU A 87 -8.886 -10.336 2.948 1.00 0.00 O ATOM 640 OE2 GLU A 87 -9.707 -8.917 4.405 1.00 0.00 O ATOM 0 H GLU A 87 -9.368 -5.685 2.210 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.500 -7.808 2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.485 -7.266 0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.572 -8.750 0.615 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.655 -7.628 2.515 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.792 -9.066 1.523 1.00 0.00 H new ATOM 647 N ALA A 88 -6.874 -5.529 0.418 1.00 0.00 N ATOM 648 CA ALA A 88 -5.839 -5.003 -0.454 1.00 0.00 C ATOM 649 C ALA A 88 -4.561 -4.784 0.340 1.00 0.00 C ATOM 650 O ALA A 88 -3.483 -5.155 -0.104 1.00 0.00 O ATOM 651 CB ALA A 88 -6.291 -3.709 -1.119 1.00 0.00 C ATOM 0 H ALA A 88 -7.636 -4.878 0.607 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.645 -5.729 -1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.497 -3.336 -1.767 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.185 -3.898 -1.713 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.514 -2.965 -0.354 1.00 0.00 H new ATOM 657 N PHE A 89 -4.690 -4.195 1.526 1.00 0.00 N ATOM 658 CA PHE A 89 -3.553 -4.040 2.430 1.00 0.00 C ATOM 659 C PHE A 89 -2.922 -5.393 2.729 1.00 0.00 C ATOM 660 O PHE A 89 -1.708 -5.516 2.804 1.00 0.00 O ATOM 661 CB PHE A 89 -3.987 -3.367 3.735 1.00 0.00 C ATOM 662 CG PHE A 89 -3.996 -1.866 3.669 1.00 0.00 C ATOM 663 CD1 PHE A 89 -5.040 -1.188 3.067 1.00 0.00 C ATOM 664 CD2 PHE A 89 -2.956 -1.136 4.214 1.00 0.00 C ATOM 665 CE1 PHE A 89 -5.044 0.190 3.006 1.00 0.00 C ATOM 666 CE2 PHE A 89 -2.954 0.242 4.157 1.00 0.00 C ATOM 667 CZ PHE A 89 -4.000 0.905 3.553 1.00 0.00 C ATOM 0 H PHE A 89 -5.568 -3.818 1.883 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.814 -3.406 1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.986 -3.716 3.998 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.318 -3.682 4.536 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.862 -1.744 2.640 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.135 -1.651 4.690 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.864 0.708 2.530 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.134 0.800 4.585 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.002 1.984 3.508 1.00 0.00 H new ATOM 677 N ARG A 90 -3.762 -6.400 2.887 1.00 0.00 N ATOM 678 CA ARG A 90 -3.312 -7.756 3.160 1.00 0.00 C ATOM 679 C ARG A 90 -2.681 -8.404 1.922 1.00 0.00 C ATOM 680 O ARG A 90 -1.756 -9.207 2.042 1.00 0.00 O ATOM 681 CB ARG A 90 -4.509 -8.564 3.657 1.00 0.00 C ATOM 682 CG ARG A 90 -4.283 -10.059 3.774 1.00 0.00 C ATOM 683 CD ARG A 90 -5.586 -10.756 4.116 1.00 0.00 C ATOM 684 NE ARG A 90 -5.428 -12.195 4.290 1.00 0.00 N ATOM 685 CZ ARG A 90 -6.430 -13.061 4.167 1.00 0.00 C ATOM 686 NH1 ARG A 90 -7.634 -12.638 3.796 1.00 0.00 N ATOM 687 NH2 ARG A 90 -6.223 -14.351 4.405 1.00 0.00 N ATOM 0 H ARG A 90 -4.776 -6.302 2.830 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.535 -7.734 3.924 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.804 -8.181 4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.347 -8.392 2.981 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.887 -10.450 2.836 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.539 -10.263 4.544 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.993 -10.326 5.031 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.312 -10.568 3.325 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.502 -12.556 4.518 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.790 -11.648 3.605 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.402 -13.303 3.702 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.297 -14.676 4.682 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.990 -15.016 4.311 1.00 0.00 H new ATOM 701 N VAL A 91 -3.182 -8.052 0.743 1.00 0.00 N ATOM 702 CA VAL A 91 -2.678 -8.613 -0.510 1.00 0.00 C ATOM 703 C VAL A 91 -1.396 -7.916 -0.961 1.00 0.00 C ATOM 704 O VAL A 91 -0.415 -8.580 -1.297 1.00 0.00 O ATOM 705 CB VAL A 91 -3.740 -8.531 -1.633 1.00 0.00 C ATOM 706 CG1 VAL A 91 -3.118 -8.773 -3.002 1.00 0.00 C ATOM 707 CG2 VAL A 91 -4.854 -9.538 -1.379 1.00 0.00 C ATOM 0 H VAL A 91 -3.939 -7.379 0.626 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.453 -9.662 -0.317 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.159 -7.525 -1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.890 -8.709 -3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.354 -8.020 -3.193 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.665 -9.764 -3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.594 -9.470 -2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.436 -10.545 -1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.330 -9.321 -0.423 1.00 0.00 H new ATOM 717 N PHE A 92 -1.409 -6.586 -0.964 1.00 0.00 N ATOM 718 CA PHE A 92 -0.247 -5.812 -1.383 1.00 0.00 C ATOM 719 C PHE A 92 0.920 -6.061 -0.444 1.00 0.00 C ATOM 720 O PHE A 92 2.061 -6.204 -0.873 1.00 0.00 O ATOM 721 CB PHE A 92 -0.571 -4.312 -1.442 1.00 0.00 C ATOM 722 CG PHE A 92 -1.341 -3.896 -2.667 1.00 0.00 C ATOM 723 CD1 PHE A 92 -2.715 -4.063 -2.721 1.00 0.00 C ATOM 724 CD2 PHE A 92 -0.696 -3.346 -3.763 1.00 0.00 C ATOM 725 CE1 PHE A 92 -3.430 -3.689 -3.844 1.00 0.00 C ATOM 726 CE2 PHE A 92 -1.403 -2.972 -4.888 1.00 0.00 C ATOM 727 CZ PHE A 92 -2.755 -3.114 -4.931 1.00 0.00 C ATOM 0 H PHE A 92 -2.211 -6.023 -0.681 1.00 0.00 H new ATOM 0 HA PHE A 92 0.030 -6.138 -2.386 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.145 -4.040 -0.556 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.361 -3.748 -1.403 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.234 -4.490 -1.876 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.375 -3.208 -3.737 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.499 -3.838 -3.884 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.879 -2.564 -5.740 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.307 -2.785 -5.799 1.00 0.00 H new ATOM 737 N ASP A 93 0.624 -6.100 0.840 1.00 0.00 N ATOM 738 CA ASP A 93 1.621 -6.431 1.837 1.00 0.00 C ATOM 739 C ASP A 93 2.082 -7.874 1.656 1.00 0.00 C ATOM 740 O ASP A 93 1.284 -8.759 1.348 1.00 0.00 O ATOM 741 CB ASP A 93 1.033 -6.248 3.232 1.00 0.00 C ATOM 742 CG ASP A 93 2.081 -6.207 4.315 1.00 0.00 C ATOM 743 OD1 ASP A 93 3.145 -6.808 4.155 1.00 0.00 O ATOM 744 OD2 ASP A 93 1.874 -5.581 5.361 1.00 0.00 O ATOM 0 H ASP A 93 -0.303 -5.906 1.218 1.00 0.00 H new ATOM 0 HA ASP A 93 2.478 -5.768 1.717 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.456 -5.324 3.258 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.339 -7.063 3.437 1.00 0.00 H new ATOM 749 N LYS A 94 3.366 -8.107 1.877 1.00 0.00 N ATOM 750 CA LYS A 94 3.915 -9.438 1.740 1.00 0.00 C ATOM 751 C LYS A 94 3.801 -10.200 3.051 1.00 0.00 C ATOM 752 O LYS A 94 3.740 -11.427 3.065 1.00 0.00 O ATOM 753 CB LYS A 94 5.364 -9.405 1.248 1.00 0.00 C ATOM 754 CG LYS A 94 6.240 -8.306 1.829 1.00 0.00 C ATOM 755 CD LYS A 94 7.657 -8.425 1.282 1.00 0.00 C ATOM 756 CE LYS A 94 8.482 -7.165 1.488 1.00 0.00 C ATOM 757 NZ LYS A 94 8.532 -6.746 2.915 1.00 0.00 N ATOM 0 H LYS A 94 4.041 -7.393 2.150 1.00 0.00 H new ATOM 0 HA LYS A 94 3.330 -9.962 0.984 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.825 -10.367 1.473 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.356 -9.301 0.163 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.826 -7.329 1.579 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.254 -8.378 2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.158 -9.264 1.766 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.611 -8.652 0.217 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.496 -7.335 1.126 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.061 -6.357 0.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.490 -6.414 3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.851 -5.977 3.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.290 -7.554 3.523 1.00 0.00 H new ATOM 771 N ASP A 95 3.762 -9.458 4.149 1.00 0.00 N ATOM 772 CA ASP A 95 3.640 -10.044 5.478 1.00 0.00 C ATOM 773 C ASP A 95 2.242 -9.820 6.050 1.00 0.00 C ATOM 774 O ASP A 95 1.913 -10.300 7.135 1.00 0.00 O ATOM 775 CB ASP A 95 4.694 -9.442 6.413 1.00 0.00 C ATOM 776 CG ASP A 95 4.698 -7.929 6.364 1.00 0.00 C ATOM 777 OD1 ASP A 95 3.698 -7.301 6.748 1.00 0.00 O ATOM 778 OD2 ASP A 95 5.725 -7.335 6.002 1.00 0.00 O ATOM 0 H ASP A 95 3.814 -8.439 4.145 1.00 0.00 H new ATOM 0 HA ASP A 95 3.804 -11.118 5.395 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.503 -9.771 7.434 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.680 -9.816 6.137 1.00 0.00 H new ATOM 783 N GLY A 96 1.415 -9.111 5.281 1.00 0.00 N ATOM 784 CA GLY A 96 0.061 -8.781 5.700 1.00 0.00 C ATOM 785 C GLY A 96 -0.045 -8.106 7.061 1.00 0.00 C ATOM 786 O GLY A 96 -0.997 -8.373 7.792 1.00 0.00 O ATOM 0 H GLY A 96 1.666 -8.754 4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.386 -8.127 4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.531 -9.696 5.718 1.00 0.00 H new ATOM 790 N ASN A 97 0.895 -7.222 7.418 1.00 0.00 N ATOM 791 CA ASN A 97 0.817 -6.510 8.699 1.00 0.00 C ATOM 792 C ASN A 97 -0.254 -5.422 8.674 1.00 0.00 C ATOM 793 O ASN A 97 -0.422 -4.683 9.646 1.00 0.00 O ATOM 794 CB ASN A 97 2.182 -5.897 9.090 1.00 0.00 C ATOM 795 CG ASN A 97 2.625 -4.706 8.232 1.00 0.00 C ATOM 796 OD1 ASN A 97 2.213 -3.502 8.596 1.00 0.00 O flip ATOM 797 ND2 ASN A 97 3.357 -4.867 7.252 1.00 0.00 N flip ATOM 0 H ASN A 97 1.707 -6.985 6.848 1.00 0.00 H new ATOM 0 HA ASN A 97 0.540 -7.248 9.452 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.136 -5.578 10.131 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.944 -6.674 9.028 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.661 -5.805 6.991 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.658 -4.062 6.702 1.00 0.00 H new ATOM 804 N GLY A 98 -0.968 -5.322 7.563 1.00 0.00 N ATOM 805 CA GLY A 98 -2.086 -4.403 7.489 1.00 0.00 C ATOM 806 C GLY A 98 -1.680 -3.037 6.991 1.00 0.00 C ATOM 807 O GLY A 98 -2.371 -2.049 7.244 1.00 0.00 O ATOM 0 H GLY A 98 -0.795 -5.859 6.713 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.848 -4.815 6.828 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.539 -4.307 8.476 1.00 0.00 H new ATOM 811 N TYR A 99 -0.567 -2.983 6.277 1.00 0.00 N ATOM 812 CA TYR A 99 -0.024 -1.723 5.791 1.00 0.00 C ATOM 813 C TYR A 99 0.711 -1.942 4.480 1.00 0.00 C ATOM 814 O TYR A 99 1.289 -3.000 4.251 1.00 0.00 O ATOM 815 CB TYR A 99 0.916 -1.083 6.814 1.00 0.00 C ATOM 816 CG TYR A 99 0.205 -0.401 7.954 1.00 0.00 C ATOM 817 CD1 TYR A 99 -0.290 0.885 7.819 1.00 0.00 C ATOM 818 CD2 TYR A 99 0.035 -1.046 9.166 1.00 0.00 C ATOM 819 CE1 TYR A 99 -0.934 1.513 8.864 1.00 0.00 C ATOM 820 CE2 TYR A 99 -0.607 -0.429 10.215 1.00 0.00 C ATOM 821 CZ TYR A 99 -1.116 0.857 10.040 1.00 0.00 C ATOM 822 OH TYR A 99 -1.728 1.466 11.112 1.00 0.00 O ATOM 0 H TYR A 99 -0.018 -3.803 6.019 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.860 -1.042 5.630 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.575 -1.852 7.218 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.549 -0.355 6.306 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.170 1.405 6.880 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.412 -2.050 9.291 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.293 2.525 8.748 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.715 -0.935 11.163 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.769 0.839 11.864 1.00 0.00 H new ATOM 832 N ILE A 100 0.686 -0.942 3.622 1.00 0.00 N ATOM 833 CA ILE A 100 1.285 -1.062 2.307 1.00 0.00 C ATOM 834 C ILE A 100 2.491 -0.136 2.172 1.00 0.00 C ATOM 835 O ILE A 100 2.352 1.078 2.068 1.00 0.00 O ATOM 836 CB ILE A 100 0.243 -0.756 1.210 1.00 0.00 C ATOM 837 CG1 ILE A 100 -0.944 -1.713 1.349 1.00 0.00 C ATOM 838 CG2 ILE A 100 0.863 -0.869 -0.179 1.00 0.00 C ATOM 839 CD1 ILE A 100 -2.107 -1.392 0.436 1.00 0.00 C ATOM 0 H ILE A 100 0.257 -0.036 3.812 1.00 0.00 H new ATOM 0 HA ILE A 100 1.630 -2.089 2.182 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.107 0.269 1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.604 -2.728 1.144 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.292 -1.696 2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.108 -0.649 -0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.685 -0.159 -0.270 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.240 -1.881 -0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.906 -2.116 0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.476 -0.390 0.655 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.778 -1.438 -0.602 1.00 0.00 H new ATOM 851 N SER A 101 3.673 -0.723 2.212 1.00 0.00 N ATOM 852 CA SER A 101 4.904 0.026 2.032 1.00 0.00 C ATOM 853 C SER A 101 5.526 -0.323 0.678 1.00 0.00 C ATOM 854 O SER A 101 4.991 -1.155 -0.050 1.00 0.00 O ATOM 855 CB SER A 101 5.882 -0.269 3.176 1.00 0.00 C ATOM 856 OG SER A 101 7.021 0.578 3.118 1.00 0.00 O ATOM 0 H SER A 101 3.807 -1.722 2.368 1.00 0.00 H new ATOM 0 HA SER A 101 4.680 1.093 2.049 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.376 -0.135 4.132 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.199 -1.311 3.126 1.00 0.00 H new ATOM 0 HG SER A 101 6.989 1.221 3.857 1.00 0.00 H new ATOM 862 N ALA A 102 6.652 0.298 0.350 1.00 0.00 N ATOM 863 CA ALA A 102 7.287 0.095 -0.952 1.00 0.00 C ATOM 864 C ALA A 102 7.718 -1.358 -1.148 1.00 0.00 C ATOM 865 O ALA A 102 7.373 -1.987 -2.148 1.00 0.00 O ATOM 866 CB ALA A 102 8.476 1.019 -1.116 1.00 0.00 C ATOM 0 H ALA A 102 7.146 0.946 0.964 1.00 0.00 H new ATOM 0 HA ALA A 102 6.547 0.331 -1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.934 0.852 -2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.145 2.055 -1.043 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.206 0.816 -0.332 1.00 0.00 H new ATOM 872 N ALA A 103 8.500 -1.869 -0.202 1.00 0.00 N ATOM 873 CA ALA A 103 8.912 -3.273 -0.201 1.00 0.00 C ATOM 874 C ALA A 103 7.721 -4.213 -0.410 1.00 0.00 C ATOM 875 O ALA A 103 7.785 -5.150 -1.209 1.00 0.00 O ATOM 876 CB ALA A 103 9.622 -3.604 1.103 1.00 0.00 C ATOM 0 H ALA A 103 8.865 -1.328 0.582 1.00 0.00 H new ATOM 0 HA ALA A 103 9.598 -3.421 -1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.926 -4.651 1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.503 -2.971 1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.946 -3.428 1.940 1.00 0.00 H new ATOM 882 N GLU A 104 6.636 -3.939 0.312 1.00 0.00 N ATOM 883 CA GLU A 104 5.397 -4.708 0.189 1.00 0.00 C ATOM 884 C GLU A 104 4.875 -4.584 -1.232 1.00 0.00 C ATOM 885 O GLU A 104 4.568 -5.580 -1.893 1.00 0.00 O ATOM 886 CB GLU A 104 4.328 -4.152 1.124 1.00 0.00 C ATOM 887 CG GLU A 104 4.852 -3.639 2.469 1.00 0.00 C ATOM 888 CD GLU A 104 5.318 -4.728 3.422 1.00 0.00 C ATOM 889 OE1 GLU A 104 6.242 -5.478 3.068 1.00 0.00 O ATOM 890 OE2 GLU A 104 4.756 -4.832 4.544 1.00 0.00 O ATOM 0 H GLU A 104 6.590 -3.183 0.995 1.00 0.00 H new ATOM 0 HA GLU A 104 5.609 -5.746 0.444 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.811 -3.337 0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.589 -4.931 1.312 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.681 -2.956 2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.065 -3.061 2.954 1.00 0.00 H new ATOM 897 N LEU A 105 4.839 -3.337 -1.701 1.00 0.00 N ATOM 898 CA LEU A 105 4.287 -3.000 -2.999 1.00 0.00 C ATOM 899 C LEU A 105 4.949 -3.825 -4.076 1.00 0.00 C ATOM 900 O LEU A 105 4.284 -4.472 -4.853 1.00 0.00 O ATOM 901 CB LEU A 105 4.496 -1.515 -3.304 1.00 0.00 C ATOM 902 CG LEU A 105 3.383 -0.584 -2.829 1.00 0.00 C ATOM 903 CD1 LEU A 105 3.826 0.871 -2.935 1.00 0.00 C ATOM 904 CD2 LEU A 105 2.126 -0.823 -3.653 1.00 0.00 C ATOM 0 H LEU A 105 5.195 -2.533 -1.184 1.00 0.00 H new ATOM 0 HA LEU A 105 3.218 -3.214 -2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.433 -1.196 -2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.611 -1.396 -4.381 1.00 0.00 H new ATOM 0 HG LEU A 105 3.163 -0.797 -1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.022 1.522 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.709 1.029 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.065 1.104 -3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.334 -0.157 -3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.337 -0.626 -4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.805 -1.858 -3.535 1.00 0.00 H new ATOM 916 N ARG A 106 6.269 -3.846 -4.069 1.00 0.00 N ATOM 917 CA ARG A 106 6.999 -4.529 -5.120 1.00 0.00 C ATOM 918 C ARG A 106 6.748 -6.030 -5.075 1.00 0.00 C ATOM 919 O ARG A 106 6.483 -6.637 -6.107 1.00 0.00 O ATOM 920 CB ARG A 106 8.491 -4.221 -5.064 1.00 0.00 C ATOM 921 CG ARG A 106 8.817 -2.823 -5.555 1.00 0.00 C ATOM 922 CD ARG A 106 10.241 -2.730 -6.064 1.00 0.00 C ATOM 923 NE ARG A 106 10.550 -1.389 -6.551 1.00 0.00 N ATOM 924 CZ ARG A 106 11.501 -1.115 -7.442 1.00 0.00 C ATOM 925 NH1 ARG A 106 12.190 -2.093 -8.017 1.00 0.00 N ATOM 926 NH2 ARG A 106 11.741 0.143 -7.786 1.00 0.00 N ATOM 0 H ARG A 106 6.851 -3.404 -3.357 1.00 0.00 H new ATOM 0 HA ARG A 106 6.625 -4.152 -6.072 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.843 -4.333 -4.039 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.032 -4.950 -5.668 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.126 -2.546 -6.351 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.672 -2.109 -4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.932 -2.996 -5.264 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.389 -3.453 -6.867 1.00 0.00 H new ATOM 0 HE ARG A 106 10.002 -0.611 -6.185 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.993 -3.065 -7.778 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.916 -1.873 -8.698 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.198 0.898 -7.368 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.469 0.355 -8.468 1.00 0.00 H new ATOM 940 N HIS A 107 6.814 -6.611 -3.879 1.00 0.00 N ATOM 941 CA HIS A 107 6.543 -8.043 -3.690 1.00 0.00 C ATOM 942 C HIS A 107 5.225 -8.461 -4.349 1.00 0.00 C ATOM 943 O HIS A 107 5.145 -9.513 -4.979 1.00 0.00 O ATOM 944 CB HIS A 107 6.509 -8.383 -2.193 1.00 0.00 C ATOM 945 CG HIS A 107 6.235 -9.831 -1.888 1.00 0.00 C ATOM 946 ND1 HIS A 107 7.206 -10.708 -1.444 1.00 0.00 N ATOM 947 CD2 HIS A 107 5.081 -10.546 -1.926 1.00 0.00 C ATOM 948 CE1 HIS A 107 6.663 -11.891 -1.225 1.00 0.00 C ATOM 949 NE2 HIS A 107 5.377 -11.818 -1.508 1.00 0.00 N ATOM 0 H HIS A 107 7.053 -6.114 -3.021 1.00 0.00 H new ATOM 0 HA HIS A 107 7.349 -8.597 -4.170 1.00 0.00 H new ATOM 0 HB2 HIS A 107 7.465 -8.106 -1.749 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.745 -7.773 -1.712 1.00 0.00 H new ATOM 0 HD2 HIS A 107 4.111 -10.181 -2.229 1.00 0.00 H new ATOM 0 HE1 HIS A 107 7.184 -12.770 -0.874 1.00 0.00 H new ATOM 0 HE2 HIS A 107 4.709 -12.585 -1.429 1.00 0.00 H new ATOM 958 N VAL A 108 4.199 -7.638 -4.201 1.00 0.00 N ATOM 959 CA VAL A 108 2.894 -7.967 -4.767 1.00 0.00 C ATOM 960 C VAL A 108 2.813 -7.515 -6.226 1.00 0.00 C ATOM 961 O VAL A 108 2.183 -8.159 -7.065 1.00 0.00 O ATOM 962 CB VAL A 108 1.724 -7.345 -3.969 1.00 0.00 C ATOM 963 CG1 VAL A 108 1.727 -5.829 -4.076 1.00 0.00 C ATOM 964 CG2 VAL A 108 0.395 -7.918 -4.439 1.00 0.00 C ATOM 0 H VAL A 108 4.239 -6.749 -3.702 1.00 0.00 H new ATOM 0 HA VAL A 108 2.795 -9.051 -4.708 1.00 0.00 H new ATOM 0 HB VAL A 108 1.859 -7.602 -2.918 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.893 -5.422 -3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.664 -5.438 -3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.627 -5.538 -5.122 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.417 -7.469 -3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.258 -7.698 -5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.391 -8.998 -4.289 1.00 0.00 H new ATOM 974 N MET A 109 3.477 -6.402 -6.506 1.00 0.00 N ATOM 975 CA MET A 109 3.304 -5.687 -7.758 1.00 0.00 C ATOM 976 C MET A 109 4.043 -6.359 -8.921 1.00 0.00 C ATOM 977 O MET A 109 3.408 -6.986 -9.771 1.00 0.00 O ATOM 978 CB MET A 109 3.768 -4.239 -7.548 1.00 0.00 C ATOM 979 CG MET A 109 3.382 -3.269 -8.650 1.00 0.00 C ATOM 980 SD MET A 109 1.628 -3.333 -9.061 1.00 0.00 S ATOM 981 CE MET A 109 1.543 -2.075 -10.336 1.00 0.00 C ATOM 0 H MET A 109 4.149 -5.972 -5.871 1.00 0.00 H new ATOM 0 HA MET A 109 2.251 -5.702 -8.038 1.00 0.00 H new ATOM 0 HB2 MET A 109 3.357 -3.876 -6.606 1.00 0.00 H new ATOM 0 HB3 MET A 109 4.853 -4.234 -7.445 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.641 -2.256 -8.342 1.00 0.00 H new ATOM 0 HG3 MET A 109 3.967 -3.490 -9.543 1.00 0.00 H new ATOM 0 HE1 MET A 109 0.518 -1.991 -10.697 1.00 0.00 H new ATOM 0 HE2 MET A 109 1.862 -1.118 -9.924 1.00 0.00 H new ATOM 0 HE3 MET A 109 2.197 -2.350 -11.163 1.00 0.00 H new ATOM 991 N THR A 110 5.367 -6.241 -8.985 1.00 0.00 N ATOM 992 CA THR A 110 6.114 -6.850 -10.081 1.00 0.00 C ATOM 993 C THR A 110 7.350 -7.627 -9.596 1.00 0.00 C ATOM 994 O THR A 110 7.970 -8.367 -10.362 1.00 0.00 O ATOM 995 CB THR A 110 6.540 -5.772 -11.105 1.00 0.00 C ATOM 996 OG1 THR A 110 7.197 -6.376 -12.227 1.00 0.00 O ATOM 997 CG2 THR A 110 7.459 -4.740 -10.467 1.00 0.00 C ATOM 0 H THR A 110 5.936 -5.739 -8.304 1.00 0.00 H new ATOM 0 HA THR A 110 5.446 -7.568 -10.557 1.00 0.00 H new ATOM 0 HB THR A 110 5.637 -5.267 -11.448 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.757 -7.118 -11.917 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.742 -3.995 -11.211 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.940 -4.251 -9.643 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.354 -5.234 -10.090 1.00 0.00 H new ATOM 1005 N ASN A 111 7.691 -7.473 -8.325 1.00 0.00 N ATOM 1006 CA ASN A 111 8.937 -8.019 -7.789 1.00 0.00 C ATOM 1007 C ASN A 111 8.697 -9.402 -7.179 1.00 0.00 C ATOM 1008 O ASN A 111 7.608 -9.962 -7.323 1.00 0.00 O ATOM 1009 CB ASN A 111 9.531 -7.053 -6.744 1.00 0.00 C ATOM 1010 CG ASN A 111 10.978 -7.352 -6.375 1.00 0.00 C ATOM 1011 OD1 ASN A 111 11.773 -7.779 -7.344 1.00 0.00 O flip ATOM 1012 ND2 ASN A 111 11.384 -7.175 -5.228 1.00 0.00 N flip ATOM 0 H ASN A 111 7.123 -6.973 -7.641 1.00 0.00 H new ATOM 0 HA ASN A 111 9.653 -8.129 -8.603 1.00 0.00 H new ATOM 0 HB2 ASN A 111 9.468 -6.035 -7.128 1.00 0.00 H new ATOM 0 HB3 ASN A 111 8.921 -7.091 -5.841 1.00 0.00 H new ATOM 0 HD21 ASN A 111 10.744 -6.845 -4.506 1.00 0.00 H new ATOM 0 HD22 ASN A 111 12.361 -7.358 -4.999 1.00 0.00 H new