USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 407 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 45 ASN :FLIP amide:sc= -0.0105 F(o=-0.51,f=-0.011) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.35 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 68 LYS NZ :NH3+ 162:sc= -0.0102 (180deg=-0.136) USER MOD Single : A 69 TYR OH : rot 97:sc= 0.00381 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 170:sc= -1.28 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 16 N ILE A 40 4.671 1.828 4.966 1.00 0.00 N ATOM 17 CA ILE A 40 3.812 2.870 4.418 1.00 0.00 C ATOM 18 C ILE A 40 4.525 4.219 4.426 1.00 0.00 C ATOM 19 O ILE A 40 5.085 4.630 5.442 1.00 0.00 O ATOM 20 CB ILE A 40 2.519 2.989 5.248 1.00 0.00 C ATOM 21 CG1 ILE A 40 2.849 3.100 6.738 1.00 0.00 C ATOM 22 CG2 ILE A 40 1.608 1.798 4.988 1.00 0.00 C ATOM 23 CD1 ILE A 40 1.642 3.389 7.606 1.00 0.00 C ATOM 0 HA ILE A 40 3.569 2.595 3.392 1.00 0.00 H new ATOM 0 HB ILE A 40 1.994 3.895 4.944 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.310 2.170 7.070 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.586 3.890 6.881 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.700 1.898 5.582 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.348 1.763 3.930 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.123 0.878 5.265 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.951 3.454 8.649 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.192 4.334 7.301 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.912 2.587 7.493 1.00 0.00 H new ATOM 35 N LEU A 41 4.455 4.925 3.303 1.00 0.00 N ATOM 36 CA LEU A 41 5.074 6.244 3.189 1.00 0.00 C ATOM 37 C LEU A 41 4.065 7.225 2.622 1.00 0.00 C ATOM 38 O LEU A 41 3.416 6.926 1.623 1.00 0.00 O ATOM 39 CB LEU A 41 6.279 6.163 2.251 1.00 0.00 C ATOM 40 CG LEU A 41 7.640 6.099 2.947 1.00 0.00 C ATOM 41 CD1 LEU A 41 8.044 4.655 3.194 1.00 0.00 C ATOM 42 CD2 LEU A 41 8.696 6.816 2.118 1.00 0.00 C ATOM 0 H LEU A 41 3.977 4.608 2.459 1.00 0.00 H new ATOM 0 HA LEU A 41 5.400 6.579 4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.170 5.281 1.619 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.266 7.031 1.592 1.00 0.00 H new ATOM 0 HG LEU A 41 7.559 6.602 3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.014 4.628 3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.300 4.172 3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.108 4.127 2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.658 6.761 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.776 6.341 1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.412 7.861 1.992 1.00 0.00 H new ATOM 54 N ILE A 42 3.944 8.406 3.215 1.00 0.00 N ATOM 55 CA ILE A 42 2.999 9.381 2.691 1.00 0.00 C ATOM 56 C ILE A 42 3.667 10.702 2.329 1.00 0.00 C ATOM 57 O ILE A 42 4.394 11.296 3.126 1.00 0.00 O ATOM 58 CB ILE A 42 1.884 9.650 3.723 1.00 0.00 C ATOM 59 CG1 ILE A 42 0.842 10.631 3.159 1.00 0.00 C ATOM 60 CG2 ILE A 42 2.478 10.169 5.026 1.00 0.00 C ATOM 61 CD1 ILE A 42 1.223 12.094 3.289 1.00 0.00 C ATOM 0 H ILE A 42 4.472 8.706 4.035 1.00 0.00 H new ATOM 0 HA ILE A 42 2.579 8.954 1.780 1.00 0.00 H new ATOM 0 HB ILE A 42 1.375 8.709 3.934 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.679 10.403 2.106 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.107 10.468 3.671 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.678 10.354 5.743 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.166 9.428 5.433 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.016 11.098 4.836 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.433 12.715 2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.356 12.343 4.342 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.154 12.277 2.752 1.00 0.00 H new ATOM 73 N GLU A 43 3.354 11.172 1.128 1.00 0.00 N ATOM 74 CA GLU A 43 3.862 12.440 0.622 1.00 0.00 C ATOM 75 C GLU A 43 2.690 13.203 0.023 1.00 0.00 C ATOM 76 O GLU A 43 1.902 12.626 -0.724 1.00 0.00 O ATOM 77 CB GLU A 43 4.891 12.166 -0.476 1.00 0.00 C ATOM 78 CG GLU A 43 4.417 11.170 -1.521 1.00 0.00 C ATOM 79 CD GLU A 43 5.046 9.802 -1.351 1.00 0.00 C ATOM 80 OE1 GLU A 43 6.273 9.684 -1.546 1.00 0.00 O ATOM 81 OE2 GLU A 43 4.310 8.847 -1.021 1.00 0.00 O ATOM 0 H GLU A 43 2.740 10.683 0.477 1.00 0.00 H new ATOM 0 HA GLU A 43 4.329 13.014 1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.142 13.105 -0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.807 11.791 -0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.333 11.077 -1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.651 11.552 -2.514 1.00 0.00 H new ATOM 88 N GLY A 44 2.592 14.496 0.285 1.00 0.00 N ATOM 89 CA GLY A 44 1.503 15.271 -0.286 1.00 0.00 C ATOM 90 C GLY A 44 0.134 14.716 0.091 1.00 0.00 C ATOM 91 O GLY A 44 -0.455 15.139 1.087 1.00 0.00 O ATOM 0 H GLY A 44 3.237 15.021 0.875 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.579 16.304 0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.600 15.284 -1.372 1.00 0.00 H new ATOM 95 N ASN A 45 -0.379 13.773 -0.706 1.00 0.00 N ATOM 96 CA ASN A 45 -1.693 13.175 -0.436 1.00 0.00 C ATOM 97 C ASN A 45 -1.771 11.695 -0.851 1.00 0.00 C ATOM 98 O ASN A 45 -2.777 11.033 -0.602 1.00 0.00 O ATOM 99 CB ASN A 45 -2.785 13.965 -1.159 1.00 0.00 C ATOM 100 CG ASN A 45 -2.472 14.176 -2.628 1.00 0.00 C ATOM 101 OD1 ASN A 45 -2.628 13.125 -3.423 1.00 0.00 O flip ATOM 102 ND2 ASN A 45 -2.095 15.272 -3.042 1.00 0.00 N flip ATOM 0 H ASN A 45 0.089 13.409 -1.536 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.844 13.219 0.643 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.734 13.437 -1.065 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.910 14.933 -0.675 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.989 16.053 -2.394 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.889 15.399 -4.033 1.00 0.00 H new ATOM 109 N ARG A 46 -0.712 11.182 -1.474 1.00 0.00 N ATOM 110 CA ARG A 46 -0.666 9.787 -1.913 1.00 0.00 C ATOM 111 C ARG A 46 0.347 9.004 -1.078 1.00 0.00 C ATOM 112 O ARG A 46 1.469 9.469 -0.851 1.00 0.00 O ATOM 113 CB ARG A 46 -0.248 9.760 -3.385 1.00 0.00 C ATOM 114 CG ARG A 46 1.132 10.346 -3.639 1.00 0.00 C ATOM 115 CD ARG A 46 1.456 10.383 -5.123 1.00 0.00 C ATOM 116 NE ARG A 46 0.532 11.236 -5.866 1.00 0.00 N ATOM 117 CZ ARG A 46 0.612 12.564 -5.898 1.00 0.00 C ATOM 118 NH1 ARG A 46 1.574 13.194 -5.235 1.00 0.00 N ATOM 119 NH2 ARG A 46 -0.272 13.265 -6.597 1.00 0.00 N ATOM 0 H ARG A 46 0.131 11.715 -1.688 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.647 9.328 -1.788 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.267 8.730 -3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.981 10.313 -3.972 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.181 11.355 -3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.882 9.753 -3.116 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.475 10.745 -5.262 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.419 9.371 -5.527 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.219 10.787 -6.391 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.257 12.660 -4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.630 14.212 -5.263 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.012 12.786 -7.109 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.211 14.283 -6.622 1.00 0.00 H new ATOM 133 N THR A 47 -0.013 7.779 -0.692 1.00 0.00 N ATOM 134 CA THR A 47 0.889 6.926 0.068 1.00 0.00 C ATOM 135 C THR A 47 1.123 5.619 -0.675 1.00 0.00 C ATOM 136 O THR A 47 0.183 4.993 -1.148 1.00 0.00 O ATOM 137 CB THR A 47 0.256 6.629 1.427 1.00 0.00 C ATOM 138 OG1 THR A 47 0.045 7.821 2.163 1.00 0.00 O ATOM 139 CG2 THR A 47 1.084 5.697 2.286 1.00 0.00 C ATOM 0 H THR A 47 -0.921 7.360 -0.894 1.00 0.00 H new ATOM 0 HA THR A 47 1.845 7.433 0.200 1.00 0.00 H new ATOM 0 HB THR A 47 -0.690 6.140 1.197 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.362 7.604 3.027 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.576 5.530 3.236 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.213 4.745 1.771 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.061 6.144 2.471 1.00 0.00 H new ATOM 147 N ILE A 48 2.365 5.169 -0.693 1.00 0.00 N ATOM 148 CA ILE A 48 2.720 3.904 -1.325 1.00 0.00 C ATOM 149 C ILE A 48 3.094 2.877 -0.262 1.00 0.00 C ATOM 150 O ILE A 48 3.864 3.174 0.657 1.00 0.00 O ATOM 151 CB ILE A 48 3.928 4.114 -2.260 1.00 0.00 C ATOM 152 CG1 ILE A 48 5.129 4.655 -1.477 1.00 0.00 C ATOM 153 CG2 ILE A 48 3.558 5.056 -3.396 1.00 0.00 C ATOM 154 CD1 ILE A 48 6.306 3.704 -1.443 1.00 0.00 C ATOM 0 H ILE A 48 3.153 5.663 -0.274 1.00 0.00 H new ATOM 0 HA ILE A 48 1.864 3.544 -1.896 1.00 0.00 H new ATOM 0 HB ILE A 48 4.208 3.151 -2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.447 5.598 -1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.818 4.873 -0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.420 5.195 -4.048 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.735 4.629 -3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.254 6.019 -2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.119 4.152 -0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.004 2.769 -0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.643 3.506 -2.460 1.00 0.00 H new ATOM 166 N ILE A 49 2.623 1.641 -0.435 1.00 0.00 N ATOM 167 CA ILE A 49 2.962 0.576 0.491 1.00 0.00 C ATOM 168 C ILE A 49 3.796 -0.490 -0.189 1.00 0.00 C ATOM 169 O ILE A 49 3.454 -0.987 -1.261 1.00 0.00 O ATOM 170 CB ILE A 49 1.710 -0.074 1.102 1.00 0.00 C ATOM 171 CG1 ILE A 49 0.841 0.994 1.758 1.00 0.00 C ATOM 172 CG2 ILE A 49 2.100 -1.145 2.114 1.00 0.00 C ATOM 173 CD1 ILE A 49 -0.423 0.448 2.385 1.00 0.00 C ATOM 0 H ILE A 49 2.012 1.361 -1.202 1.00 0.00 H new ATOM 0 HA ILE A 49 3.541 1.033 1.293 1.00 0.00 H new ATOM 0 HB ILE A 49 1.139 -0.554 0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.425 1.505 2.524 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.572 1.741 1.011 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.200 -1.593 2.535 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.691 -1.915 1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.688 -0.694 2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.990 1.265 2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.028 -0.038 1.620 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.163 -0.277 3.156 1.00 0.00 H new ATOM 185 N ARG A 50 4.890 -0.834 0.457 1.00 0.00 N ATOM 186 CA ARG A 50 5.795 -1.844 -0.057 1.00 0.00 C ATOM 187 C ARG A 50 5.359 -3.219 0.419 1.00 0.00 C ATOM 188 O ARG A 50 6.125 -3.938 1.061 1.00 0.00 O ATOM 189 CB ARG A 50 7.228 -1.559 0.396 1.00 0.00 C ATOM 190 CG ARG A 50 8.004 -0.672 -0.564 1.00 0.00 C ATOM 191 CD ARG A 50 9.364 -0.298 0.002 1.00 0.00 C ATOM 192 NE ARG A 50 9.966 0.823 -0.716 1.00 0.00 N ATOM 193 CZ ARG A 50 11.257 1.140 -0.647 1.00 0.00 C ATOM 194 NH1 ARG A 50 12.085 0.423 0.103 1.00 0.00 N ATOM 195 NH2 ARG A 50 11.722 2.176 -1.331 1.00 0.00 N ATOM 0 H ARG A 50 5.177 -0.426 1.347 1.00 0.00 H new ATOM 0 HA ARG A 50 5.766 -1.819 -1.146 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.203 -1.084 1.377 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.758 -2.504 0.513 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.134 -1.189 -1.515 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.432 0.233 -0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.260 -0.040 1.056 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.028 -1.161 -0.050 1.00 0.00 H new ATOM 0 HE ARG A 50 9.362 1.396 -1.305 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.733 -0.376 0.631 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.073 0.671 0.152 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.091 2.730 -1.910 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.711 2.419 -1.278 1.00 0.00 H new ATOM 209 N ASN A 51 4.119 -3.585 0.106 1.00 0.00 N ATOM 210 CA ASN A 51 3.596 -4.872 0.514 1.00 0.00 C ATOM 211 C ASN A 51 3.912 -5.949 -0.513 1.00 0.00 C ATOM 212 O ASN A 51 3.196 -6.943 -0.632 1.00 0.00 O ATOM 213 CB ASN A 51 2.095 -4.788 0.753 1.00 0.00 C ATOM 214 CG ASN A 51 1.686 -5.374 2.092 1.00 0.00 C ATOM 215 OD1 ASN A 51 2.100 -4.891 3.145 1.00 0.00 O ATOM 216 ND2 ASN A 51 0.869 -6.420 2.055 1.00 0.00 N ATOM 0 H ASN A 51 3.467 -3.008 -0.425 1.00 0.00 H new ATOM 0 HA ASN A 51 4.084 -5.148 1.449 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.781 -3.745 0.705 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.573 -5.315 -0.045 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.559 -6.856 2.923 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.551 -6.787 1.158 1.00 0.00 H new ATOM 223 N PHE A 52 4.971 -5.722 -1.269 1.00 0.00 N ATOM 224 CA PHE A 52 5.383 -6.643 -2.319 1.00 0.00 C ATOM 225 C PHE A 52 5.299 -8.119 -1.939 1.00 0.00 C ATOM 226 O PHE A 52 4.870 -8.905 -2.771 1.00 0.00 O ATOM 227 CB PHE A 52 6.797 -6.363 -2.830 1.00 0.00 C ATOM 228 CG PHE A 52 7.070 -7.051 -4.151 1.00 0.00 C ATOM 229 CD1 PHE A 52 6.027 -7.601 -4.895 1.00 0.00 C ATOM 230 CD2 PHE A 52 8.359 -7.152 -4.650 1.00 0.00 C ATOM 231 CE1 PHE A 52 6.261 -8.229 -6.097 1.00 0.00 C ATOM 232 CE2 PHE A 52 8.601 -7.784 -5.859 1.00 0.00 C ATOM 233 CZ PHE A 52 7.551 -8.322 -6.583 1.00 0.00 C ATOM 0 H PHE A 52 5.568 -4.900 -1.176 1.00 0.00 H new ATOM 0 HA PHE A 52 4.655 -6.455 -3.108 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.934 -5.288 -2.946 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.523 -6.699 -2.090 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.016 -7.533 -4.521 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.183 -6.734 -4.091 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.439 -8.648 -6.659 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.610 -7.857 -6.237 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.740 -8.814 -7.526 1.00 0.00 H new ATOM 243 N ARG A 53 5.708 -8.552 -0.757 1.00 0.00 N ATOM 244 CA ARG A 53 5.625 -9.996 -0.447 1.00 0.00 C ATOM 245 C ARG A 53 4.201 -10.557 -0.696 1.00 0.00 C ATOM 246 O ARG A 53 3.929 -11.231 -1.711 1.00 0.00 O ATOM 247 CB ARG A 53 6.041 -10.248 1.006 1.00 0.00 C ATOM 248 CG ARG A 53 7.209 -11.213 1.141 1.00 0.00 C ATOM 249 CD ARG A 53 8.294 -10.661 2.051 1.00 0.00 C ATOM 250 NE ARG A 53 7.807 -10.426 3.410 1.00 0.00 N ATOM 251 CZ ARG A 53 7.449 -9.230 3.880 1.00 0.00 C ATOM 252 NH1 ARG A 53 7.514 -8.152 3.107 1.00 0.00 N ATOM 253 NH2 ARG A 53 7.024 -9.115 5.130 1.00 0.00 N ATOM 0 H ARG A 53 6.088 -7.964 -0.015 1.00 0.00 H new ATOM 0 HA ARG A 53 6.309 -10.517 -1.117 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.308 -9.298 1.470 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.188 -10.643 1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.851 -12.164 1.537 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.629 -11.416 0.156 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.130 -11.359 2.082 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.674 -9.727 1.636 1.00 0.00 H new ATOM 0 HE ARG A 53 7.737 -11.227 4.038 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.840 -8.234 2.144 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.238 -7.242 3.476 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.972 -9.939 5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.749 -8.202 5.493 1.00 0.00 H new ATOM 267 N GLU A 54 3.296 -10.246 0.235 1.00 0.00 N ATOM 268 CA GLU A 54 1.904 -10.677 0.136 1.00 0.00 C ATOM 269 C GLU A 54 1.372 -10.325 -1.240 1.00 0.00 C ATOM 270 O GLU A 54 0.780 -11.153 -1.933 1.00 0.00 O ATOM 271 CB GLU A 54 1.055 -10.010 1.222 1.00 0.00 C ATOM 272 CG GLU A 54 0.124 -10.973 1.941 1.00 0.00 C ATOM 273 CD GLU A 54 -1.194 -10.329 2.326 1.00 0.00 C ATOM 274 OE1 GLU A 54 -1.215 -9.564 3.313 1.00 0.00 O ATOM 275 OE2 GLU A 54 -2.206 -10.591 1.642 1.00 0.00 O ATOM 0 H GLU A 54 3.506 -9.695 1.068 1.00 0.00 H new ATOM 0 HA GLU A 54 1.850 -11.756 0.282 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.715 -9.542 1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.463 -9.213 0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.069 -11.833 1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.617 -11.348 2.838 1.00 0.00 H new ATOM 282 N LEU A 55 1.617 -9.083 -1.628 1.00 0.00 N ATOM 283 CA LEU A 55 1.208 -8.576 -2.924 1.00 0.00 C ATOM 284 C LEU A 55 1.614 -9.542 -4.027 1.00 0.00 C ATOM 285 O LEU A 55 0.827 -9.837 -4.912 1.00 0.00 O ATOM 286 CB LEU A 55 1.822 -7.201 -3.184 1.00 0.00 C ATOM 287 CG LEU A 55 1.450 -6.577 -4.534 1.00 0.00 C ATOM 288 CD1 LEU A 55 1.074 -5.112 -4.367 1.00 0.00 C ATOM 289 CD2 LEU A 55 2.598 -6.726 -5.522 1.00 0.00 C ATOM 0 H LEU A 55 2.106 -8.399 -1.051 1.00 0.00 H new ATOM 0 HA LEU A 55 0.122 -8.479 -2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.512 -6.524 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.907 -7.286 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 55 0.583 -7.106 -4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.814 -4.690 -5.338 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.220 -5.030 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.919 -4.565 -3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.318 -6.278 -6.475 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.482 -6.223 -5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.817 -7.784 -5.669 1.00 0.00 H new ATOM 301 N ALA A 56 2.852 -10.011 -3.979 1.00 0.00 N ATOM 302 CA ALA A 56 3.406 -10.921 -4.971 1.00 0.00 C ATOM 303 C ALA A 56 2.457 -12.065 -5.225 1.00 0.00 C ATOM 304 O ALA A 56 2.008 -12.274 -6.356 1.00 0.00 O ATOM 305 CB ALA A 56 4.754 -11.449 -4.504 1.00 0.00 C ATOM 0 H ALA A 56 3.510 -9.767 -3.239 1.00 0.00 H new ATOM 0 HA ALA A 56 3.547 -10.374 -5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.158 -12.129 -5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.442 -10.615 -4.361 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.629 -11.982 -3.561 1.00 0.00 H new ATOM 311 N LYS A 57 2.103 -12.782 -4.167 1.00 0.00 N ATOM 312 CA LYS A 57 1.135 -13.874 -4.330 1.00 0.00 C ATOM 313 C LYS A 57 -0.092 -13.306 -5.053 1.00 0.00 C ATOM 314 O LYS A 57 -0.599 -13.834 -6.069 1.00 0.00 O ATOM 315 CB LYS A 57 0.736 -14.457 -2.973 1.00 0.00 C ATOM 316 CG LYS A 57 1.563 -15.666 -2.565 1.00 0.00 C ATOM 317 CD LYS A 57 1.026 -16.305 -1.296 1.00 0.00 C ATOM 318 CE LYS A 57 2.149 -16.845 -0.426 1.00 0.00 C ATOM 319 NZ LYS A 57 2.727 -15.793 0.454 1.00 0.00 N ATOM 0 H LYS A 57 2.452 -12.641 -3.219 1.00 0.00 H new ATOM 0 HA LYS A 57 1.578 -14.683 -4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.836 -13.684 -2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.316 -14.740 -3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.561 -16.399 -3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.599 -15.364 -2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.450 -15.571 -0.733 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.344 -17.115 -1.556 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.771 -17.663 0.187 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.933 -17.258 -1.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.489 -16.203 1.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.111 -15.023 -0.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.985 -15.416 1.078 1.00 0.00 H new ATOM 333 N ALA A 58 -0.534 -12.179 -4.523 1.00 0.00 N ATOM 334 CA ALA A 58 -1.654 -11.466 -5.074 1.00 0.00 C ATOM 335 C ALA A 58 -1.491 -11.288 -6.576 1.00 0.00 C ATOM 336 O ALA A 58 -2.426 -11.550 -7.320 1.00 0.00 O ATOM 337 CB ALA A 58 -1.817 -10.117 -4.390 1.00 0.00 C ATOM 0 H ALA A 58 -0.122 -11.740 -3.700 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.555 -12.053 -4.895 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.670 -9.592 -4.820 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.984 -10.268 -3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.914 -9.524 -4.536 1.00 0.00 H new ATOM 343 N VAL A 59 -0.323 -10.827 -7.035 1.00 0.00 N ATOM 344 CA VAL A 59 -0.113 -10.607 -8.460 1.00 0.00 C ATOM 345 C VAL A 59 -0.516 -11.808 -9.266 1.00 0.00 C ATOM 346 O VAL A 59 -1.259 -11.636 -10.235 1.00 0.00 O ATOM 347 CB VAL A 59 1.306 -10.141 -8.878 1.00 0.00 C ATOM 348 CG1 VAL A 59 2.128 -9.661 -7.693 1.00 0.00 C ATOM 349 CG2 VAL A 59 2.059 -11.221 -9.646 1.00 0.00 C ATOM 0 H VAL A 59 0.479 -10.603 -6.445 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.765 -9.763 -8.683 1.00 0.00 H new ATOM 0 HB VAL A 59 1.159 -9.292 -9.546 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.113 -9.346 -8.037 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.624 -8.820 -7.217 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.238 -10.473 -6.974 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.047 -10.851 -9.919 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.163 -12.107 -9.020 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.506 -11.478 -10.549 1.00 0.00 H new ATOM 359 N ASN A 60 -0.064 -12.998 -8.856 1.00 0.00 N ATOM 360 CA ASN A 60 -0.425 -14.213 -9.569 1.00 0.00 C ATOM 361 C ASN A 60 -1.920 -14.173 -9.817 1.00 0.00 C ATOM 362 O ASN A 60 -2.395 -14.550 -10.887 1.00 0.00 O ATOM 363 CB ASN A 60 -0.048 -15.454 -8.757 1.00 0.00 C ATOM 364 CG ASN A 60 0.223 -16.659 -9.636 1.00 0.00 C ATOM 365 OD1 ASN A 60 1.179 -16.673 -10.410 1.00 0.00 O ATOM 366 ND2 ASN A 60 -0.622 -17.677 -9.521 1.00 0.00 N ATOM 0 H ASN A 60 0.542 -13.138 -8.047 1.00 0.00 H new ATOM 0 HA ASN A 60 0.116 -14.269 -10.513 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.837 -15.238 -8.158 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.854 -15.689 -8.062 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.492 -18.515 -10.088 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.401 -17.621 -8.865 1.00 0.00 H new ATOM 373 N ARG A 61 -2.649 -13.634 -8.844 1.00 0.00 N ATOM 374 CA ARG A 61 -4.095 -13.465 -9.016 1.00 0.00 C ATOM 375 C ARG A 61 -4.358 -12.230 -9.906 1.00 0.00 C ATOM 376 O ARG A 61 -4.818 -12.342 -11.042 1.00 0.00 O ATOM 377 CB ARG A 61 -4.783 -13.298 -7.659 1.00 0.00 C ATOM 378 CG ARG A 61 -5.510 -14.551 -7.190 1.00 0.00 C ATOM 379 CD ARG A 61 -4.911 -15.103 -5.905 1.00 0.00 C ATOM 380 NE ARG A 61 -5.863 -15.065 -4.797 1.00 0.00 N ATOM 381 CZ ARG A 61 -5.609 -15.547 -3.584 1.00 0.00 C ATOM 382 NH1 ARG A 61 -4.434 -16.105 -3.317 1.00 0.00 N ATOM 383 NH2 ARG A 61 -6.531 -15.473 -2.634 1.00 0.00 N ATOM 0 H ARG A 61 -2.278 -13.313 -7.949 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.506 -14.354 -9.495 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.038 -13.019 -6.914 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.495 -12.475 -7.720 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.564 -14.322 -7.031 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.463 -15.312 -7.969 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.586 -16.130 -6.069 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.024 -14.526 -5.641 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.777 -14.644 -4.964 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.721 -16.165 -4.044 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.244 -16.473 -2.385 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.436 -15.046 -2.833 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.336 -15.843 -1.704 1.00 0.00 H new ATOM 397 N ASP A 62 -4.028 -11.065 -9.355 1.00 0.00 N ATOM 398 CA ASP A 62 -4.157 -9.761 -10.003 1.00 0.00 C ATOM 399 C ASP A 62 -3.628 -8.690 -9.063 1.00 0.00 C ATOM 400 O ASP A 62 -4.391 -7.987 -8.400 1.00 0.00 O ATOM 401 CB ASP A 62 -5.611 -9.480 -10.389 1.00 0.00 C ATOM 402 CG ASP A 62 -6.590 -9.893 -9.307 1.00 0.00 C ATOM 403 OD1 ASP A 62 -6.186 -9.939 -8.127 1.00 0.00 O ATOM 404 OD2 ASP A 62 -7.761 -10.170 -9.642 1.00 0.00 O ATOM 0 H ASP A 62 -3.649 -11.000 -8.410 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.573 -9.757 -10.923 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.730 -8.416 -10.595 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.848 -10.011 -11.311 1.00 0.00 H new ATOM 409 N GLU A 63 -2.298 -8.569 -9.032 1.00 0.00 N ATOM 410 CA GLU A 63 -1.622 -7.574 -8.194 1.00 0.00 C ATOM 411 C GLU A 63 -2.287 -6.266 -8.431 1.00 0.00 C ATOM 412 O GLU A 63 -2.573 -5.490 -7.517 1.00 0.00 O ATOM 413 CB GLU A 63 -0.146 -7.425 -8.556 1.00 0.00 C ATOM 414 CG GLU A 63 0.110 -7.260 -10.049 1.00 0.00 C ATOM 415 CD GLU A 63 1.585 -7.154 -10.386 1.00 0.00 C ATOM 416 OE1 GLU A 63 2.415 -7.235 -9.456 1.00 0.00 O ATOM 417 OE2 GLU A 63 1.910 -6.990 -11.581 1.00 0.00 O ATOM 0 H GLU A 63 -1.665 -9.151 -9.581 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.684 -7.895 -7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.262 -6.562 -8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.396 -8.301 -8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.319 -8.108 -10.582 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.404 -6.367 -10.404 1.00 0.00 H new ATOM 424 N GLU A 64 -2.528 -6.046 -9.705 1.00 0.00 N ATOM 425 CA GLU A 64 -3.173 -4.825 -10.142 1.00 0.00 C ATOM 426 C GLU A 64 -4.473 -4.626 -9.367 1.00 0.00 C ATOM 427 O GLU A 64 -4.679 -3.620 -8.668 1.00 0.00 O ATOM 428 CB GLU A 64 -3.452 -4.872 -11.646 1.00 0.00 C ATOM 429 CG GLU A 64 -2.193 -4.923 -12.497 1.00 0.00 C ATOM 430 CD GLU A 64 -2.444 -4.512 -13.934 1.00 0.00 C ATOM 431 OE1 GLU A 64 -3.302 -3.632 -14.159 1.00 0.00 O ATOM 432 OE2 GLU A 64 -1.782 -5.070 -14.835 1.00 0.00 O ATOM 0 H GLU A 64 -2.288 -6.694 -10.455 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.507 -3.984 -9.946 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.065 -5.746 -11.866 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.035 -3.995 -11.927 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.438 -4.268 -12.062 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.787 -5.934 -12.478 1.00 0.00 H new ATOM 439 N PHE A 65 -5.334 -5.623 -9.491 1.00 0.00 N ATOM 440 CA PHE A 65 -6.615 -5.630 -8.819 1.00 0.00 C ATOM 441 C PHE A 65 -6.464 -5.338 -7.335 1.00 0.00 C ATOM 442 O PHE A 65 -7.213 -4.529 -6.786 1.00 0.00 O ATOM 443 CB PHE A 65 -7.316 -6.974 -9.016 1.00 0.00 C ATOM 444 CG PHE A 65 -8.807 -6.906 -8.840 1.00 0.00 C ATOM 445 CD1 PHE A 65 -9.363 -6.717 -7.585 1.00 0.00 C ATOM 446 CD2 PHE A 65 -9.652 -7.033 -9.930 1.00 0.00 C ATOM 447 CE1 PHE A 65 -10.734 -6.655 -7.421 1.00 0.00 C ATOM 448 CE2 PHE A 65 -11.023 -6.972 -9.773 1.00 0.00 C ATOM 449 CZ PHE A 65 -11.565 -6.783 -8.518 1.00 0.00 C ATOM 0 H PHE A 65 -5.160 -6.450 -10.062 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.223 -4.841 -9.262 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.093 -7.348 -10.015 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.907 -7.695 -8.308 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.718 -6.617 -6.725 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.234 -7.182 -10.915 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.155 -6.507 -6.438 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.670 -7.072 -10.632 1.00 0.00 H new ATOM 0 HZ PHE A 65 -12.637 -6.735 -8.393 1.00 0.00 H new ATOM 459 N PHE A 66 -5.534 -6.024 -6.658 1.00 0.00 N ATOM 460 CA PHE A 66 -5.402 -5.806 -5.228 1.00 0.00 C ATOM 461 C PHE A 66 -5.210 -4.333 -4.845 1.00 0.00 C ATOM 462 O PHE A 66 -6.058 -3.775 -4.156 1.00 0.00 O ATOM 463 CB PHE A 66 -4.303 -6.582 -4.513 1.00 0.00 C ATOM 464 CG PHE A 66 -4.262 -5.961 -3.165 1.00 0.00 C ATOM 465 CD1 PHE A 66 -5.332 -6.169 -2.315 1.00 0.00 C ATOM 466 CD2 PHE A 66 -3.314 -5.011 -2.839 1.00 0.00 C ATOM 467 CE1 PHE A 66 -5.442 -5.470 -1.146 1.00 0.00 C ATOM 468 CE2 PHE A 66 -3.445 -4.274 -1.686 1.00 0.00 C ATOM 469 CZ PHE A 66 -4.508 -4.511 -0.841 1.00 0.00 C ATOM 0 H PHE A 66 -4.891 -6.705 -7.063 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.365 -6.189 -4.890 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.533 -7.646 -4.458 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.346 -6.489 -5.027 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.090 -6.892 -2.578 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.469 -4.847 -3.491 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.258 -5.670 -0.467 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.718 -3.513 -1.443 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.607 -3.937 0.069 1.00 0.00 H new ATOM 479 N ALA A 67 -4.079 -3.703 -5.217 1.00 0.00 N ATOM 480 CA ALA A 67 -3.855 -2.326 -4.811 1.00 0.00 C ATOM 481 C ALA A 67 -5.160 -1.568 -4.933 1.00 0.00 C ATOM 482 O ALA A 67 -5.567 -0.868 -4.002 1.00 0.00 O ATOM 483 CB ALA A 67 -2.754 -1.677 -5.636 1.00 0.00 C ATOM 0 H ALA A 67 -3.336 -4.119 -5.779 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.519 -2.303 -3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.612 -0.648 -5.307 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.825 -2.232 -5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.035 -1.686 -6.689 1.00 0.00 H new ATOM 489 N LYS A 68 -5.854 -1.753 -6.058 1.00 0.00 N ATOM 490 CA LYS A 68 -7.156 -1.117 -6.223 1.00 0.00 C ATOM 491 C LYS A 68 -7.952 -1.277 -4.916 1.00 0.00 C ATOM 492 O LYS A 68 -8.487 -0.306 -4.382 1.00 0.00 O ATOM 493 CB LYS A 68 -7.917 -1.738 -7.398 1.00 0.00 C ATOM 494 CG LYS A 68 -8.149 -0.774 -8.550 1.00 0.00 C ATOM 495 CD LYS A 68 -8.445 -1.515 -9.844 1.00 0.00 C ATOM 496 CE LYS A 68 -9.932 -1.786 -10.003 1.00 0.00 C ATOM 497 NZ LYS A 68 -10.693 -0.547 -10.323 1.00 0.00 N ATOM 0 H LYS A 68 -5.545 -2.322 -6.846 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.020 -0.058 -6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.362 -2.602 -7.764 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.880 -2.105 -7.043 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.981 -0.112 -8.310 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.269 -0.145 -8.683 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.089 -0.928 -10.690 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.899 -2.458 -9.858 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.084 -2.520 -10.795 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.321 -2.223 -9.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.621 -0.802 -10.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.827 0.012 -9.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.163 0.016 -11.019 1.00 0.00 H new ATOM 511 N TYR A 69 -7.990 -2.509 -4.394 1.00 0.00 N ATOM 512 CA TYR A 69 -8.669 -2.840 -3.131 1.00 0.00 C ATOM 513 C TYR A 69 -8.313 -1.850 -2.045 1.00 0.00 C ATOM 514 O TYR A 69 -9.196 -1.280 -1.405 1.00 0.00 O ATOM 515 CB TYR A 69 -8.306 -4.253 -2.653 1.00 0.00 C ATOM 516 CG TYR A 69 -9.246 -5.328 -3.159 1.00 0.00 C ATOM 517 CD1 TYR A 69 -10.620 -5.119 -3.188 1.00 0.00 C ATOM 518 CD2 TYR A 69 -8.761 -6.551 -3.606 1.00 0.00 C ATOM 519 CE1 TYR A 69 -11.481 -6.097 -3.648 1.00 0.00 C ATOM 520 CE2 TYR A 69 -9.616 -7.533 -4.068 1.00 0.00 C ATOM 521 CZ TYR A 69 -10.975 -7.301 -4.087 1.00 0.00 C ATOM 522 OH TYR A 69 -11.829 -8.277 -4.546 1.00 0.00 O ATOM 0 H TYR A 69 -7.547 -3.313 -4.839 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.740 -2.793 -3.328 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.292 -4.487 -2.978 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.304 -4.269 -1.563 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -11.021 -4.177 -2.845 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.697 -6.737 -3.592 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -12.546 -5.918 -3.663 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.222 -8.478 -4.413 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.881 -8.233 -5.524 1.00 0.00 H new ATOM 532 N LEU A 70 -7.016 -1.630 -1.845 1.00 0.00 N ATOM 533 CA LEU A 70 -6.569 -0.676 -0.837 1.00 0.00 C ATOM 534 C LEU A 70 -7.426 0.575 -0.951 1.00 0.00 C ATOM 535 O LEU A 70 -7.968 1.076 0.034 1.00 0.00 O ATOM 536 CB LEU A 70 -5.084 -0.337 -1.008 1.00 0.00 C ATOM 537 CG LEU A 70 -4.267 -0.348 0.289 1.00 0.00 C ATOM 538 CD1 LEU A 70 -4.987 0.423 1.388 1.00 0.00 C ATOM 539 CD2 LEU A 70 -3.992 -1.772 0.737 1.00 0.00 C ATOM 0 H LEU A 70 -6.267 -2.092 -2.360 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.680 -1.116 0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.642 -1.049 -1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.001 0.650 -1.464 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.314 0.143 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.389 0.402 2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.132 1.456 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.956 -0.037 1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.411 -1.758 1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.936 -2.287 0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.431 -2.295 -0.037 1.00 0.00 H new ATOM 551 N LEU A 71 -7.575 1.034 -2.185 1.00 0.00 N ATOM 552 CA LEU A 71 -8.405 2.186 -2.482 1.00 0.00 C ATOM 553 C LEU A 71 -9.849 1.858 -2.136 1.00 0.00 C ATOM 554 O LEU A 71 -10.520 2.624 -1.444 1.00 0.00 O ATOM 555 CB LEU A 71 -8.272 2.584 -3.959 1.00 0.00 C ATOM 556 CG LEU A 71 -9.584 2.746 -4.737 1.00 0.00 C ATOM 557 CD1 LEU A 71 -10.374 3.936 -4.211 1.00 0.00 C ATOM 558 CD2 LEU A 71 -9.303 2.907 -6.225 1.00 0.00 C ATOM 0 H LEU A 71 -7.126 0.620 -3.002 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.076 3.035 -1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.724 3.524 -4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.665 1.832 -4.463 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.183 1.847 -4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.301 4.035 -4.775 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.605 3.782 -3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.782 4.844 -4.324 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.244 3.021 -6.763 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.685 3.790 -6.385 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.779 2.025 -6.594 1.00 0.00 H new ATOM 570 N LYS A 72 -10.320 0.699 -2.608 1.00 0.00 N ATOM 571 CA LYS A 72 -11.681 0.262 -2.324 1.00 0.00 C ATOM 572 C LYS A 72 -11.970 0.434 -0.841 1.00 0.00 C ATOM 573 O LYS A 72 -12.997 0.990 -0.452 1.00 0.00 O ATOM 574 CB LYS A 72 -11.885 -1.196 -2.740 1.00 0.00 C ATOM 575 CG LYS A 72 -11.843 -1.411 -4.244 1.00 0.00 C ATOM 576 CD LYS A 72 -12.835 -2.477 -4.684 1.00 0.00 C ATOM 577 CE LYS A 72 -14.271 -2.037 -4.443 1.00 0.00 C ATOM 578 NZ LYS A 72 -15.105 -2.170 -5.668 1.00 0.00 N ATOM 0 H LYS A 72 -9.779 0.054 -3.184 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.374 0.875 -2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.115 -1.810 -2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.845 -1.543 -2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.066 -0.473 -4.753 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.836 -1.704 -4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.693 -2.693 -5.743 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.641 -3.402 -4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.705 -2.636 -3.642 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.282 -1.000 -4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.076 -1.860 -5.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.706 -1.579 -6.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.116 -3.164 -5.974 1.00 0.00 H new ATOM 592 N GLU A 73 -11.042 -0.043 -0.021 1.00 0.00 N ATOM 593 CA GLU A 73 -11.175 0.059 1.426 1.00 0.00 C ATOM 594 C GLU A 73 -11.185 1.521 1.867 1.00 0.00 C ATOM 595 O GLU A 73 -12.056 1.943 2.628 1.00 0.00 O ATOM 596 CB GLU A 73 -10.037 -0.695 2.120 1.00 0.00 C ATOM 597 CG GLU A 73 -10.510 -1.884 2.943 1.00 0.00 C ATOM 598 CD GLU A 73 -10.290 -1.690 4.431 1.00 0.00 C ATOM 599 OE1 GLU A 73 -9.187 -1.249 4.815 1.00 0.00 O ATOM 600 OE2 GLU A 73 -11.221 -1.980 5.211 1.00 0.00 O ATOM 0 H GLU A 73 -10.188 -0.505 -0.334 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.124 -0.394 1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.330 -1.043 1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.498 -0.005 2.769 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.571 -2.052 2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.983 -2.780 2.616 1.00 0.00 H new ATOM 607 N THR A 74 -10.209 2.288 1.388 1.00 0.00 N ATOM 608 CA THR A 74 -10.105 3.702 1.738 1.00 0.00 C ATOM 609 C THR A 74 -11.293 4.495 1.195 1.00 0.00 C ATOM 610 O THR A 74 -12.151 4.941 1.958 1.00 0.00 O ATOM 611 CB THR A 74 -8.798 4.286 1.198 1.00 0.00 C ATOM 612 OG1 THR A 74 -8.799 4.298 -0.218 1.00 0.00 O ATOM 613 CG2 THR A 74 -7.571 3.524 1.650 1.00 0.00 C ATOM 0 H THR A 74 -9.480 1.955 0.757 1.00 0.00 H new ATOM 0 HA THR A 74 -10.111 3.780 2.825 1.00 0.00 H new ATOM 0 HB THR A 74 -8.747 5.298 1.600 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.033 4.817 -0.541 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.679 3.990 1.232 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.513 3.540 2.738 1.00 0.00 H new ATOM 0 HG23 THR A 74 -7.636 2.492 1.306 1.00 0.00 H new ATOM 621 N GLY A 75 -11.343 4.662 -0.124 1.00 0.00 N ATOM 622 CA GLY A 75 -12.436 5.397 -0.735 1.00 0.00 C ATOM 623 C GLY A 75 -11.964 6.473 -1.696 1.00 0.00 C ATOM 624 O GLY A 75 -12.544 6.651 -2.767 1.00 0.00 O ATOM 0 H GLY A 75 -10.648 4.302 -0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.082 4.700 -1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.040 5.856 0.048 1.00 0.00 H new ATOM 628 N SER A 76 -10.918 7.198 -1.312 1.00 0.00 N ATOM 629 CA SER A 76 -10.381 8.267 -2.150 1.00 0.00 C ATOM 630 C SER A 76 -10.012 7.748 -3.543 1.00 0.00 C ATOM 631 O SER A 76 -10.856 7.710 -4.438 1.00 0.00 O ATOM 632 CB SER A 76 -9.170 8.914 -1.474 1.00 0.00 C ATOM 633 OG SER A 76 -9.542 10.089 -0.776 1.00 0.00 O ATOM 0 H SER A 76 -10.426 7.066 -0.428 1.00 0.00 H new ATOM 0 HA SER A 76 -11.156 9.023 -2.274 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.714 8.205 -0.782 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.417 9.156 -2.224 1.00 0.00 H new ATOM 0 HG SER A 76 -8.751 10.482 -0.352 1.00 0.00 H new ATOM 639 N ALA A 77 -8.756 7.341 -3.725 1.00 0.00 N ATOM 640 CA ALA A 77 -8.304 6.820 -5.016 1.00 0.00 C ATOM 641 C ALA A 77 -7.138 5.871 -4.807 1.00 0.00 C ATOM 642 O ALA A 77 -6.406 6.016 -3.839 1.00 0.00 O ATOM 643 CB ALA A 77 -7.907 7.960 -5.941 1.00 0.00 C ATOM 0 H ALA A 77 -8.038 7.361 -3.001 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.123 6.274 -5.484 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.574 7.554 -6.896 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.765 8.612 -6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.097 8.532 -5.487 1.00 0.00 H new ATOM 649 N GLY A 78 -6.964 4.890 -5.688 1.00 0.00 N ATOM 650 CA GLY A 78 -5.868 3.950 -5.505 1.00 0.00 C ATOM 651 C GLY A 78 -5.017 3.735 -6.737 1.00 0.00 C ATOM 652 O GLY A 78 -5.474 3.906 -7.867 1.00 0.00 O ATOM 0 H GLY A 78 -7.547 4.729 -6.509 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.231 4.307 -4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.277 2.990 -5.189 1.00 0.00 H new ATOM 656 N ASN A 79 -3.767 3.345 -6.500 1.00 0.00 N ATOM 657 CA ASN A 79 -2.813 3.081 -7.565 1.00 0.00 C ATOM 658 C ASN A 79 -2.159 1.723 -7.326 1.00 0.00 C ATOM 659 O ASN A 79 -1.742 1.417 -6.214 1.00 0.00 O ATOM 660 CB ASN A 79 -1.745 4.176 -7.550 1.00 0.00 C ATOM 661 CG ASN A 79 -2.293 5.523 -7.976 1.00 0.00 C ATOM 662 OD1 ASN A 79 -2.774 5.684 -9.098 1.00 0.00 O ATOM 663 ND2 ASN A 79 -2.220 6.502 -7.081 1.00 0.00 N ATOM 0 H ASN A 79 -3.390 3.204 -5.563 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.319 3.073 -8.531 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.326 4.258 -6.547 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.928 3.892 -8.214 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.571 7.432 -7.312 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.813 6.324 -6.163 1.00 0.00 H new ATOM 670 N LEU A 80 -2.003 0.944 -8.384 1.00 0.00 N ATOM 671 CA LEU A 80 -1.353 -0.360 -8.277 1.00 0.00 C ATOM 672 C LEU A 80 -0.061 -0.381 -9.085 1.00 0.00 C ATOM 673 O LEU A 80 -0.031 0.048 -10.237 1.00 0.00 O ATOM 674 CB LEU A 80 -2.310 -1.423 -8.820 1.00 0.00 C ATOM 675 CG LEU A 80 -2.815 -1.168 -10.244 1.00 0.00 C ATOM 676 CD1 LEU A 80 -2.006 -1.968 -11.254 1.00 0.00 C ATOM 677 CD2 LEU A 80 -4.297 -1.503 -10.353 1.00 0.00 C ATOM 0 H LEU A 80 -2.315 1.187 -9.324 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.111 -0.560 -7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.808 -2.390 -8.796 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.169 -1.493 -8.152 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.686 -0.109 -10.469 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.382 -1.772 -12.258 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.958 -1.675 -11.195 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.098 -3.031 -11.033 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.638 -1.316 -11.371 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.452 -2.553 -10.106 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.863 -0.880 -9.660 1.00 0.00 H new ATOM 689 N GLU A 81 0.982 -0.964 -8.505 1.00 0.00 N ATOM 690 CA GLU A 81 2.259 -1.100 -9.187 1.00 0.00 C ATOM 691 C GLU A 81 2.666 -2.559 -9.144 1.00 0.00 C ATOM 692 O GLU A 81 2.559 -3.185 -8.091 1.00 0.00 O ATOM 693 CB GLU A 81 3.296 -0.243 -8.457 1.00 0.00 C ATOM 694 CG GLU A 81 3.757 0.967 -9.257 1.00 0.00 C ATOM 695 CD GLU A 81 3.304 2.279 -8.648 1.00 0.00 C ATOM 696 OE1 GLU A 81 4.009 2.793 -7.754 1.00 0.00 O ATOM 697 OE2 GLU A 81 2.244 2.792 -9.063 1.00 0.00 O ATOM 0 H GLU A 81 0.966 -1.350 -7.561 1.00 0.00 H new ATOM 0 HA GLU A 81 2.187 -0.771 -10.224 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.874 0.096 -7.511 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.161 -0.861 -8.217 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.845 0.959 -9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.374 0.892 -10.275 1.00 0.00 H new ATOM 704 N GLY A 82 3.203 -3.088 -10.226 1.00 0.00 N ATOM 705 CA GLY A 82 3.650 -4.473 -10.212 1.00 0.00 C ATOM 706 C GLY A 82 4.723 -4.783 -9.162 1.00 0.00 C ATOM 707 O GLY A 82 5.858 -5.097 -9.519 1.00 0.00 O ATOM 0 H GLY A 82 3.340 -2.596 -11.109 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.789 -5.118 -10.035 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.040 -4.726 -11.198 1.00 0.00 H new ATOM 711 N GLY A 83 4.366 -4.728 -7.868 1.00 0.00 N ATOM 712 CA GLY A 83 5.337 -5.050 -6.817 1.00 0.00 C ATOM 713 C GLY A 83 5.003 -4.476 -5.453 1.00 0.00 C ATOM 714 O GLY A 83 5.363 -5.016 -4.423 1.00 0.00 O ATOM 0 H GLY A 83 3.437 -4.471 -7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.415 -6.134 -6.732 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.317 -4.683 -7.121 1.00 0.00 H new ATOM 718 N ARG A 84 4.333 -3.376 -5.484 1.00 0.00 N ATOM 719 CA ARG A 84 3.913 -2.628 -4.329 1.00 0.00 C ATOM 720 C ARG A 84 2.463 -2.224 -4.560 1.00 0.00 C ATOM 721 O ARG A 84 2.078 -1.811 -5.655 1.00 0.00 O ATOM 722 CB ARG A 84 4.777 -1.370 -4.241 1.00 0.00 C ATOM 723 CG ARG A 84 4.715 -0.497 -5.484 1.00 0.00 C ATOM 724 CD ARG A 84 6.102 -0.083 -5.950 1.00 0.00 C ATOM 725 NE ARG A 84 6.974 -1.236 -6.162 1.00 0.00 N ATOM 726 CZ ARG A 84 8.303 -1.162 -6.205 1.00 0.00 C ATOM 727 NH1 ARG A 84 8.916 0.005 -6.051 1.00 0.00 N ATOM 728 NH2 ARG A 84 9.022 -2.259 -6.401 1.00 0.00 N ATOM 0 H ARG A 84 4.043 -2.943 -6.361 1.00 0.00 H new ATOM 0 HA ARG A 84 4.010 -3.209 -3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 84 4.461 -0.782 -3.379 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.812 -1.663 -4.065 1.00 0.00 H new ATOM 0 HG2 ARG A 84 4.209 -1.038 -6.284 1.00 0.00 H new ATOM 0 HG3 ARG A 84 4.121 0.392 -5.275 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.019 0.484 -6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.550 0.580 -5.210 1.00 0.00 H new ATOM 0 HE ARG A 84 6.540 -2.151 -6.284 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.369 0.852 -5.899 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.934 0.055 -6.085 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.557 -3.159 -6.519 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.040 -2.202 -6.434 1.00 0.00 H new ATOM 742 N LEU A 85 1.714 -2.204 -3.489 1.00 0.00 N ATOM 743 CA LEU A 85 0.314 -1.741 -3.553 1.00 0.00 C ATOM 744 C LEU A 85 0.272 -0.349 -2.923 1.00 0.00 C ATOM 745 O LEU A 85 0.849 -0.126 -1.859 1.00 0.00 O ATOM 746 CB LEU A 85 -0.577 -2.702 -2.759 1.00 0.00 C ATOM 747 CG LEU A 85 -0.105 -3.038 -1.344 1.00 0.00 C ATOM 748 CD1 LEU A 85 -0.879 -2.233 -0.312 1.00 0.00 C ATOM 749 CD2 LEU A 85 -0.260 -4.527 -1.084 1.00 0.00 C ATOM 0 H LEU A 85 2.026 -2.495 -2.563 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.045 -1.709 -4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.576 -2.271 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.667 -3.631 -3.321 1.00 0.00 H new ATOM 0 HG LEU A 85 0.949 -2.774 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.527 -2.488 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.725 -1.169 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.941 -2.464 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.079 -4.757 -0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.308 -4.807 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.338 -5.086 -1.803 1.00 0.00 H new ATOM 761 N ILE A 86 -0.431 0.578 -3.569 1.00 0.00 N ATOM 762 CA ILE A 86 -0.524 1.951 -3.079 1.00 0.00 C ATOM 763 C ILE A 86 -1.959 2.363 -2.781 1.00 0.00 C ATOM 764 O ILE A 86 -2.865 2.150 -3.594 1.00 0.00 O ATOM 765 CB ILE A 86 0.050 2.900 -4.156 1.00 0.00 C ATOM 766 CG1 ILE A 86 1.488 2.506 -4.498 1.00 0.00 C ATOM 767 CG2 ILE A 86 -0.011 4.353 -3.706 1.00 0.00 C ATOM 768 CD1 ILE A 86 1.930 2.968 -5.870 1.00 0.00 C ATOM 0 H ILE A 86 -0.945 0.404 -4.433 1.00 0.00 H new ATOM 0 HA ILE A 86 0.041 2.013 -2.149 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.565 2.803 -5.051 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.159 2.925 -3.748 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.583 1.422 -4.440 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.400 4.993 -4.486 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.048 4.632 -3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.570 4.476 -2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.959 2.654 -6.046 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.282 2.528 -6.628 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.868 4.055 -5.926 1.00 0.00 H new ATOM 780 N LEU A 87 -2.134 3.075 -1.672 1.00 0.00 N ATOM 781 CA LEU A 87 -3.428 3.615 -1.303 1.00 0.00 C ATOM 782 C LEU A 87 -3.310 5.125 -1.179 1.00 0.00 C ATOM 783 O LEU A 87 -2.383 5.643 -0.554 1.00 0.00 O ATOM 784 CB LEU A 87 -3.884 2.988 0.025 1.00 0.00 C ATOM 785 CG LEU A 87 -3.194 3.476 1.312 1.00 0.00 C ATOM 786 CD1 LEU A 87 -1.680 3.420 1.185 1.00 0.00 C ATOM 787 CD2 LEU A 87 -3.658 4.879 1.685 1.00 0.00 C ATOM 0 H LEU A 87 -1.387 3.290 -1.012 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.171 3.380 -2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.955 3.162 0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.742 1.910 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.484 2.800 2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.224 3.771 2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.369 2.393 0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.360 4.056 0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.155 5.198 2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.416 5.569 0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.736 4.875 1.848 1.00 0.00 H new ATOM 799 N GLN A 88 -4.287 5.828 -1.713 1.00 0.00 N ATOM 800 CA GLN A 88 -4.308 7.279 -1.634 1.00 0.00 C ATOM 801 C GLN A 88 -5.491 7.767 -0.815 1.00 0.00 C ATOM 802 O GLN A 88 -6.640 7.736 -1.274 1.00 0.00 O ATOM 803 CB GLN A 88 -4.346 7.900 -3.032 1.00 0.00 C ATOM 804 CG GLN A 88 -3.786 9.312 -3.089 1.00 0.00 C ATOM 805 CD GLN A 88 -4.630 10.241 -3.940 1.00 0.00 C ATOM 806 OE1 GLN A 88 -5.544 10.898 -3.441 1.00 0.00 O ATOM 807 NE2 GLN A 88 -4.328 10.300 -5.231 1.00 0.00 N ATOM 0 H GLN A 88 -5.080 5.420 -2.208 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.391 7.594 -1.136 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.782 7.267 -3.717 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.377 7.913 -3.386 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.718 9.713 -2.078 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.772 9.281 -3.488 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.562 9.738 -5.602 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.862 10.908 -5.852 1.00 0.00 H new