USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 501 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 51 ASN : amide:sc= -0.0591 X(o=-0.059,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -165:sc=-0.000134 (180deg=-0.125) USER MOD Single : A 56 THR OG1 : rot 87:sc= 1.1 USER MOD Single : A 58 SER OG : rot 86:sc= 0.284 USER MOD Single : A 63 ASN : amide:sc= 0.158 X(o=0.16,f=-0.037) USER MOD Single : A 73 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.0773 X(o=-0.077,f=-0.53) USER MOD Single : A 77 ASN : amide:sc= -0.066 X(o=-0.066,f=-0.52) USER MOD Single : A 78 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.42) USER MOD Single : A 80 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00229) USER MOD Single : A 82 ASN : amide:sc= -0.11 K(o=-0.11,f=-3.5!) USER MOD Single : A 85 ASN : amide:sc= -0.484 K(o=-0.48,f=-2.5) USER MOD Single : A 87 ASN : amide:sc= -0.632 X(o=-0.63,f=-0.31) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 0.235 K(o=0.24,f=-11!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 30:sc= 0 USER MOD Single : A 96 HIS :FLIP no HD1:sc= -0.747 F(o=-1.5,f=-0.75) USER MOD Single : A 97 LYS NZ :NH3+ 149:sc= 1.55 (180deg=0.952) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 175:sc= 0.954 (180deg=0.844) USER MOD Single : A 107 GLN : amide:sc= 0.61 K(o=0.61,f=0) USER MOD Single : A 110 SER OG : rot 19:sc= 0.396 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 47 -2.161 14.919 -5.535 1.00 0.00 N ATOM 2 CA GLY A 47 -0.838 14.468 -5.086 1.00 0.00 C ATOM 3 C GLY A 47 -0.464 13.167 -5.762 1.00 0.00 C ATOM 4 O GLY A 47 -0.876 12.937 -6.897 1.00 0.00 O ATOM 0 HA2 GLY A 47 -0.092 15.230 -5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.840 14.335 -4.004 1.00 0.00 H new ATOM 8 N GLU A 48 0.298 12.304 -5.084 1.00 0.00 N ATOM 9 CA GLU A 48 0.733 11.028 -5.656 1.00 0.00 C ATOM 10 C GLU A 48 0.904 9.950 -4.604 1.00 0.00 C ATOM 11 O GLU A 48 0.293 8.900 -4.721 1.00 0.00 O ATOM 12 CB GLU A 48 2.077 11.256 -6.365 1.00 0.00 C ATOM 13 CG GLU A 48 2.903 9.989 -6.617 1.00 0.00 C ATOM 14 CD GLU A 48 4.071 10.229 -7.570 1.00 0.00 C ATOM 15 OE1 GLU A 48 4.961 11.055 -7.250 1.00 0.00 O ATOM 16 OE2 GLU A 48 4.133 9.532 -8.609 1.00 0.00 O ATOM 0 H GLU A 48 0.628 12.468 -4.133 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.035 10.685 -6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.887 11.744 -7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.673 11.946 -5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.285 9.614 -5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.256 9.214 -7.029 1.00 0.00 H new ATOM 23 N VAL A 49 1.673 10.205 -3.548 1.00 0.00 N ATOM 24 CA VAL A 49 1.897 9.207 -2.501 1.00 0.00 C ATOM 25 C VAL A 49 0.579 8.579 -2.023 1.00 0.00 C ATOM 26 O VAL A 49 0.498 7.372 -1.847 1.00 0.00 O ATOM 27 CB VAL A 49 2.779 9.797 -1.395 1.00 0.00 C ATOM 28 CG1 VAL A 49 2.218 11.099 -0.817 1.00 0.00 C ATOM 29 CG2 VAL A 49 3.067 8.769 -0.301 1.00 0.00 C ATOM 0 H VAL A 49 2.152 11.092 -3.393 1.00 0.00 H new ATOM 0 HA VAL A 49 2.455 8.364 -2.908 1.00 0.00 H new ATOM 0 HB VAL A 49 3.728 10.058 -1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.885 11.469 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.137 11.843 -1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.232 10.913 -0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.695 9.221 0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.129 8.440 0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.583 7.912 -0.734 1.00 0.00 H new ATOM 39 N ARG A 50 -0.481 9.368 -1.856 1.00 0.00 N ATOM 40 CA ARG A 50 -1.781 8.835 -1.434 1.00 0.00 C ATOM 41 C ARG A 50 -2.373 7.907 -2.497 1.00 0.00 C ATOM 42 O ARG A 50 -3.006 6.927 -2.126 1.00 0.00 O ATOM 43 CB ARG A 50 -2.752 9.962 -1.099 1.00 0.00 C ATOM 44 CG ARG A 50 -2.697 10.479 0.349 1.00 0.00 C ATOM 45 CD ARG A 50 -4.013 11.211 0.630 1.00 0.00 C ATOM 46 NE ARG A 50 -4.157 11.717 2.010 1.00 0.00 N ATOM 47 CZ ARG A 50 -5.319 12.179 2.497 1.00 0.00 C ATOM 48 NH1 ARG A 50 -6.391 12.242 1.714 1.00 0.00 N ATOM 49 NH2 ARG A 50 -5.434 12.586 3.756 1.00 0.00 N ATOM 0 H ARG A 50 -0.468 10.377 -2.005 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.618 8.247 -0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.557 10.797 -1.772 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.765 9.617 -1.304 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.563 9.652 1.046 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.849 11.150 0.484 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.101 12.050 -0.061 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.841 10.535 0.417 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.339 11.715 2.619 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.331 11.939 0.742 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.274 12.593 2.085 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.627 12.552 4.379 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.329 12.933 4.100 1.00 0.00 H new ATOM 63 N ASN A 51 -2.211 8.227 -3.785 1.00 0.00 N ATOM 64 CA ASN A 51 -2.718 7.429 -4.905 1.00 0.00 C ATOM 65 C ASN A 51 -2.065 6.063 -4.862 1.00 0.00 C ATOM 66 O ASN A 51 -2.757 5.058 -4.737 1.00 0.00 O ATOM 67 CB ASN A 51 -2.389 8.039 -6.284 1.00 0.00 C ATOM 68 CG ASN A 51 -3.362 9.033 -6.864 1.00 0.00 C ATOM 69 OD1 ASN A 51 -3.423 9.184 -8.079 1.00 0.00 O ATOM 70 ND2 ASN A 51 -4.062 9.796 -6.058 1.00 0.00 N ATOM 0 H ASN A 51 -1.713 9.066 -4.084 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.802 7.388 -4.795 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.417 8.526 -6.211 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.283 7.220 -6.996 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.665 10.524 -6.441 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.003 9.661 -5.049 1.00 0.00 H new ATOM 77 N ILE A 52 -0.734 6.025 -4.961 1.00 0.00 N ATOM 78 CA ILE A 52 0.001 4.770 -4.956 1.00 0.00 C ATOM 79 C ILE A 52 -0.274 3.961 -3.693 1.00 0.00 C ATOM 80 O ILE A 52 -0.378 2.744 -3.793 1.00 0.00 O ATOM 81 CB ILE A 52 1.501 5.008 -5.194 1.00 0.00 C ATOM 82 CG1 ILE A 52 2.210 3.687 -5.493 1.00 0.00 C ATOM 83 CG2 ILE A 52 2.180 5.662 -3.995 1.00 0.00 C ATOM 84 CD1 ILE A 52 3.458 3.893 -6.347 1.00 0.00 C ATOM 0 H ILE A 52 -0.147 6.855 -5.046 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.359 4.165 -5.788 1.00 0.00 H new ATOM 0 HB ILE A 52 1.577 5.683 -6.046 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.487 3.203 -4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.524 3.015 -6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.238 5.809 -4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.713 6.626 -3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.075 5.018 -3.122 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.932 2.930 -6.537 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.178 4.353 -7.295 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.156 4.544 -5.820 1.00 0.00 H new ATOM 96 N VAL A 53 -0.411 4.615 -2.534 1.00 0.00 N ATOM 97 CA VAL A 53 -0.687 3.974 -1.262 1.00 0.00 C ATOM 98 C VAL A 53 -2.012 3.246 -1.414 1.00 0.00 C ATOM 99 O VAL A 53 -2.040 2.017 -1.325 1.00 0.00 O ATOM 100 CB VAL A 53 -0.657 5.049 -0.146 1.00 0.00 C ATOM 101 CG1 VAL A 53 -1.420 4.750 1.143 1.00 0.00 C ATOM 102 CG2 VAL A 53 0.789 5.315 0.283 1.00 0.00 C ATOM 0 H VAL A 53 -0.329 5.629 -2.463 1.00 0.00 H new ATOM 0 HA VAL A 53 0.060 3.234 -0.973 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.158 5.892 -0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.312 5.587 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.476 4.602 0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.018 3.847 1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.802 6.072 1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.232 4.393 0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.363 5.670 -0.573 1.00 0.00 H new ATOM 112 N ASP A 54 -3.091 3.990 -1.642 1.00 0.00 N ATOM 113 CA ASP A 54 -4.456 3.505 -1.808 1.00 0.00 C ATOM 114 C ASP A 54 -4.522 2.361 -2.816 1.00 0.00 C ATOM 115 O ASP A 54 -5.005 1.272 -2.504 1.00 0.00 O ATOM 116 CB ASP A 54 -5.324 4.704 -2.214 1.00 0.00 C ATOM 117 CG ASP A 54 -6.670 4.348 -2.829 1.00 0.00 C ATOM 118 OD1 ASP A 54 -7.661 4.228 -2.076 1.00 0.00 O ATOM 119 OD2 ASP A 54 -6.746 4.356 -4.076 1.00 0.00 O ATOM 0 H ASP A 54 -3.031 5.005 -1.720 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.833 3.086 -0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.497 5.323 -1.333 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.766 5.312 -2.926 1.00 0.00 H new ATOM 124 N LYS A 55 -3.963 2.570 -4.003 1.00 0.00 N ATOM 125 CA LYS A 55 -3.954 1.591 -5.074 1.00 0.00 C ATOM 126 C LYS A 55 -3.208 0.338 -4.665 1.00 0.00 C ATOM 127 O LYS A 55 -3.749 -0.758 -4.835 1.00 0.00 O ATOM 128 CB LYS A 55 -3.357 2.237 -6.319 1.00 0.00 C ATOM 129 CG LYS A 55 -4.391 3.177 -6.950 1.00 0.00 C ATOM 130 CD LYS A 55 -3.737 3.950 -8.107 1.00 0.00 C ATOM 131 CE LYS A 55 -4.709 4.366 -9.213 1.00 0.00 C ATOM 132 NZ LYS A 55 -5.218 3.198 -9.958 1.00 0.00 N ATOM 0 H LYS A 55 -3.496 3.443 -4.248 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.974 1.276 -5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.456 2.792 -6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.062 1.470 -7.035 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.244 2.605 -7.316 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.771 3.873 -6.202 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.256 4.843 -7.707 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.951 3.333 -8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.545 4.912 -8.777 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.208 5.047 -9.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.662 3.517 -10.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.430 2.556 -10.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.922 2.697 -9.379 1.00 0.00 H new ATOM 146 N THR A 56 -1.990 0.476 -4.144 1.00 0.00 N ATOM 147 CA THR A 56 -1.223 -0.675 -3.712 1.00 0.00 C ATOM 148 C THR A 56 -1.988 -1.433 -2.620 1.00 0.00 C ATOM 149 O THR A 56 -2.011 -2.666 -2.665 1.00 0.00 O ATOM 150 CB THR A 56 0.180 -0.212 -3.306 1.00 0.00 C ATOM 151 OG1 THR A 56 0.742 0.367 -4.466 1.00 0.00 O ATOM 152 CG2 THR A 56 1.053 -1.368 -2.797 1.00 0.00 C ATOM 0 H THR A 56 -1.521 1.372 -4.014 1.00 0.00 H new ATOM 0 HA THR A 56 -1.089 -1.393 -4.521 1.00 0.00 H new ATOM 0 HB THR A 56 0.125 0.496 -2.479 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.492 1.314 -4.513 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.037 -0.987 -2.522 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.583 -1.822 -1.925 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.160 -2.116 -3.582 1.00 0.00 H new ATOM 160 N ALA A 57 -2.662 -0.739 -1.689 1.00 0.00 N ATOM 161 CA ALA A 57 -3.407 -1.416 -0.634 1.00 0.00 C ATOM 162 C ALA A 57 -4.465 -2.363 -1.197 1.00 0.00 C ATOM 163 O ALA A 57 -4.605 -3.451 -0.649 1.00 0.00 O ATOM 164 CB ALA A 57 -4.066 -0.438 0.344 1.00 0.00 C ATOM 0 H ALA A 57 -2.702 0.280 -1.651 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.667 -1.999 -0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.607 -0.996 1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.299 0.175 0.817 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.761 0.204 -0.197 1.00 0.00 H new ATOM 170 N SER A 58 -5.166 -1.977 -2.263 1.00 0.00 N ATOM 171 CA SER A 58 -6.202 -2.769 -2.911 1.00 0.00 C ATOM 172 C SER A 58 -5.670 -4.137 -3.346 1.00 0.00 C ATOM 173 O SER A 58 -6.204 -5.171 -2.957 1.00 0.00 O ATOM 174 CB SER A 58 -6.735 -1.974 -4.108 1.00 0.00 C ATOM 175 OG SER A 58 -7.823 -2.620 -4.729 1.00 0.00 O ATOM 0 H SER A 58 -5.020 -1.073 -2.712 1.00 0.00 H new ATOM 0 HA SER A 58 -7.011 -2.961 -2.206 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.043 -0.983 -3.776 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.935 -1.832 -4.834 1.00 0.00 H new ATOM 0 HG SER A 58 -8.654 -2.375 -4.270 1.00 0.00 H new ATOM 181 N PHE A 59 -4.590 -4.176 -4.127 1.00 0.00 N ATOM 182 CA PHE A 59 -4.045 -5.448 -4.597 1.00 0.00 C ATOM 183 C PHE A 59 -3.525 -6.305 -3.450 1.00 0.00 C ATOM 184 O PHE A 59 -3.702 -7.525 -3.452 1.00 0.00 O ATOM 185 CB PHE A 59 -2.952 -5.189 -5.621 1.00 0.00 C ATOM 186 CG PHE A 59 -2.760 -6.336 -6.586 1.00 0.00 C ATOM 187 CD1 PHE A 59 -3.656 -6.487 -7.660 1.00 0.00 C ATOM 188 CD2 PHE A 59 -1.724 -7.271 -6.398 1.00 0.00 C ATOM 189 CE1 PHE A 59 -3.507 -7.556 -8.556 1.00 0.00 C ATOM 190 CE2 PHE A 59 -1.569 -8.330 -7.310 1.00 0.00 C ATOM 191 CZ PHE A 59 -2.454 -8.467 -8.392 1.00 0.00 C ATOM 0 H PHE A 59 -4.081 -3.351 -4.444 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.852 -6.009 -5.068 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.195 -4.287 -6.182 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.013 -4.998 -5.101 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.460 -5.779 -7.795 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.052 -7.175 -5.558 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.204 -7.677 -9.372 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.767 -9.041 -7.178 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.323 -9.274 -9.098 1.00 0.00 H new ATOM 201 N VAL A 60 -2.863 -5.666 -2.485 1.00 0.00 N ATOM 202 CA VAL A 60 -2.321 -6.340 -1.316 1.00 0.00 C ATOM 203 C VAL A 60 -3.483 -6.904 -0.480 1.00 0.00 C ATOM 204 O VAL A 60 -3.364 -7.984 0.092 1.00 0.00 O ATOM 205 CB VAL A 60 -1.355 -5.390 -0.585 1.00 0.00 C ATOM 206 CG1 VAL A 60 -0.799 -6.051 0.673 1.00 0.00 C ATOM 207 CG2 VAL A 60 -0.149 -5.027 -1.470 1.00 0.00 C ATOM 0 H VAL A 60 -2.689 -4.661 -2.497 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.713 -7.207 -1.576 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.927 -4.495 -0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.119 -5.363 1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.620 -6.304 1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.261 -6.959 0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.514 -4.355 -0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.393 -5.934 -1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.499 -4.534 -2.377 1.00 0.00 H new ATOM 217 N ALA A 61 -4.631 -6.228 -0.438 1.00 0.00 N ATOM 218 CA ALA A 61 -5.806 -6.621 0.309 1.00 0.00 C ATOM 219 C ALA A 61 -6.424 -7.826 -0.389 1.00 0.00 C ATOM 220 O ALA A 61 -6.809 -8.783 0.278 1.00 0.00 O ATOM 221 CB ALA A 61 -6.768 -5.419 0.316 1.00 0.00 C ATOM 0 H ALA A 61 -4.764 -5.355 -0.949 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.575 -6.898 1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.669 -5.678 0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.281 -4.566 0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.035 -5.161 -0.709 1.00 0.00 H new ATOM 227 N ARG A 62 -6.490 -7.798 -1.727 1.00 0.00 N ATOM 228 CA ARG A 62 -7.077 -8.902 -2.469 1.00 0.00 C ATOM 229 C ARG A 62 -6.248 -10.169 -2.398 1.00 0.00 C ATOM 230 O ARG A 62 -6.778 -11.255 -2.161 1.00 0.00 O ATOM 231 CB ARG A 62 -7.270 -8.518 -3.943 1.00 0.00 C ATOM 232 CG ARG A 62 -8.427 -7.537 -4.114 1.00 0.00 C ATOM 233 CD ARG A 62 -8.972 -7.601 -5.541 1.00 0.00 C ATOM 234 NE ARG A 62 -10.147 -6.731 -5.699 1.00 0.00 N ATOM 235 CZ ARG A 62 -10.374 -5.850 -6.677 1.00 0.00 C ATOM 236 NH1 ARG A 62 -9.517 -5.717 -7.684 1.00 0.00 N ATOM 237 NH2 ARG A 62 -11.472 -5.111 -6.636 1.00 0.00 N ATOM 0 H ARG A 62 -6.147 -7.030 -2.304 1.00 0.00 H new ATOM 0 HA ARG A 62 -8.039 -9.104 -1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.353 -8.072 -4.328 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.461 -9.415 -4.533 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.220 -7.772 -3.404 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.090 -6.525 -3.891 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.195 -7.300 -6.244 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.241 -8.629 -5.785 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.869 -6.809 -4.982 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.675 -6.291 -7.716 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.702 -5.041 -8.425 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.131 -5.219 -5.865 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.659 -4.434 -7.376 1.00 0.00 H new ATOM 251 N ASN A 63 -4.954 -10.050 -2.657 1.00 0.00 N ATOM 252 CA ASN A 63 -4.068 -11.213 -2.664 1.00 0.00 C ATOM 253 C ASN A 63 -3.677 -11.687 -1.272 1.00 0.00 C ATOM 254 O ASN A 63 -3.742 -12.886 -1.001 1.00 0.00 O ATOM 255 CB ASN A 63 -2.800 -10.940 -3.478 1.00 0.00 C ATOM 256 CG ASN A 63 -3.062 -10.825 -4.973 1.00 0.00 C ATOM 257 OD1 ASN A 63 -2.781 -11.735 -5.749 1.00 0.00 O ATOM 258 ND2 ASN A 63 -3.598 -9.702 -5.419 1.00 0.00 N ATOM 0 H ASN A 63 -4.492 -9.165 -2.865 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.645 -12.011 -3.132 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.340 -10.017 -3.124 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.083 -11.742 -3.302 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.782 -9.585 -6.415 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.828 -8.952 -4.767 1.00 0.00 H new ATOM 265 N GLY A 64 -3.308 -10.762 -0.385 1.00 0.00 N ATOM 266 CA GLY A 64 -2.887 -11.056 0.971 1.00 0.00 C ATOM 267 C GLY A 64 -1.615 -10.289 1.347 1.00 0.00 C ATOM 268 O GLY A 64 -0.966 -9.687 0.482 1.00 0.00 O ATOM 0 H GLY A 64 -3.296 -9.765 -0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.687 -10.797 1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.710 -12.127 1.073 1.00 0.00 H new ATOM 272 N PRO A 65 -1.220 -10.324 2.632 1.00 0.00 N ATOM 273 CA PRO A 65 -0.041 -9.625 3.144 1.00 0.00 C ATOM 274 C PRO A 65 1.278 -10.103 2.536 1.00 0.00 C ATOM 275 O PRO A 65 2.291 -9.419 2.691 1.00 0.00 O ATOM 276 CB PRO A 65 -0.064 -9.806 4.662 1.00 0.00 C ATOM 277 CG PRO A 65 -0.900 -11.069 4.851 1.00 0.00 C ATOM 278 CD PRO A 65 -1.908 -11.017 3.709 1.00 0.00 C ATOM 0 HA PRO A 65 -0.089 -8.574 2.860 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.940 -9.924 5.069 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.512 -8.948 5.163 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.284 -11.967 4.799 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.396 -11.078 5.821 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.211 -12.019 3.404 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.813 -10.487 4.005 1.00 0.00 H new ATOM 286 N GLU A 66 1.293 -11.229 1.819 1.00 0.00 N ATOM 287 CA GLU A 66 2.503 -11.735 1.185 1.00 0.00 C ATOM 288 C GLU A 66 3.042 -10.684 0.204 1.00 0.00 C ATOM 289 O GLU A 66 4.252 -10.476 0.094 1.00 0.00 O ATOM 290 CB GLU A 66 2.197 -13.053 0.443 1.00 0.00 C ATOM 291 CG GLU A 66 1.339 -12.867 -0.820 1.00 0.00 C ATOM 292 CD GLU A 66 0.743 -14.150 -1.378 1.00 0.00 C ATOM 293 OE1 GLU A 66 1.489 -14.966 -1.961 1.00 0.00 O ATOM 294 OE2 GLU A 66 -0.499 -14.277 -1.324 1.00 0.00 O ATOM 0 H GLU A 66 0.469 -11.810 1.665 1.00 0.00 H new ATOM 0 HA GLU A 66 3.257 -11.933 1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.137 -13.530 0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.683 -13.732 1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.528 -12.174 -0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.950 -12.400 -1.592 1.00 0.00 H new ATOM 301 N PHE A 67 2.123 -10.019 -0.504 1.00 0.00 N ATOM 302 CA PHE A 67 2.432 -9.001 -1.486 1.00 0.00 C ATOM 303 C PHE A 67 2.968 -7.756 -0.816 1.00 0.00 C ATOM 304 O PHE A 67 3.786 -7.064 -1.406 1.00 0.00 O ATOM 305 CB PHE A 67 1.198 -8.654 -2.317 1.00 0.00 C ATOM 306 CG PHE A 67 1.087 -9.485 -3.567 1.00 0.00 C ATOM 307 CD1 PHE A 67 1.692 -9.025 -4.747 1.00 0.00 C ATOM 308 CD2 PHE A 67 0.419 -10.716 -3.549 1.00 0.00 C ATOM 309 CE1 PHE A 67 1.577 -9.769 -5.934 1.00 0.00 C ATOM 310 CE2 PHE A 67 0.327 -11.476 -4.728 1.00 0.00 C ATOM 311 CZ PHE A 67 0.889 -10.994 -5.922 1.00 0.00 C ATOM 0 H PHE A 67 1.122 -10.186 -0.400 1.00 0.00 H new ATOM 0 HA PHE A 67 3.199 -9.400 -2.150 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.304 -8.797 -1.710 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.233 -7.599 -2.589 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.247 -8.098 -4.743 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.023 -11.080 -2.633 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.015 -9.401 -6.850 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.176 -12.431 -4.716 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.792 -11.566 -6.833 1.00 0.00 H new ATOM 321 N GLU A 68 2.505 -7.454 0.392 1.00 0.00 N ATOM 322 CA GLU A 68 2.943 -6.287 1.126 1.00 0.00 C ATOM 323 C GLU A 68 4.445 -6.402 1.367 1.00 0.00 C ATOM 324 O GLU A 68 5.199 -5.467 1.113 1.00 0.00 O ATOM 325 CB GLU A 68 2.186 -6.253 2.464 1.00 0.00 C ATOM 326 CG GLU A 68 2.259 -4.965 3.280 1.00 0.00 C ATOM 327 CD GLU A 68 1.358 -5.086 4.520 1.00 0.00 C ATOM 328 OE1 GLU A 68 1.404 -6.129 5.214 1.00 0.00 O ATOM 329 OE2 GLU A 68 0.623 -4.116 4.814 1.00 0.00 O ATOM 0 H GLU A 68 1.813 -8.018 0.886 1.00 0.00 H new ATOM 0 HA GLU A 68 2.741 -5.371 0.571 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.136 -6.465 2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.562 -7.067 3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.288 -4.773 3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.943 -4.118 2.670 1.00 0.00 H new ATOM 336 N ALA A 69 4.861 -7.575 1.853 1.00 0.00 N ATOM 337 CA ALA A 69 6.243 -7.871 2.158 1.00 0.00 C ATOM 338 C ALA A 69 7.068 -8.022 0.882 1.00 0.00 C ATOM 339 O ALA A 69 8.197 -7.534 0.849 1.00 0.00 O ATOM 340 CB ALA A 69 6.318 -9.147 2.999 1.00 0.00 C ATOM 0 H ALA A 69 4.228 -8.351 2.045 1.00 0.00 H new ATOM 0 HA ALA A 69 6.661 -7.040 2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.360 -9.370 3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.764 -9.004 3.927 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.884 -9.977 2.441 1.00 0.00 H new ATOM 346 N ARG A 70 6.522 -8.683 -0.149 1.00 0.00 N ATOM 347 CA ARG A 70 7.188 -8.909 -1.428 1.00 0.00 C ATOM 348 C ARG A 70 7.492 -7.588 -2.104 1.00 0.00 C ATOM 349 O ARG A 70 8.647 -7.317 -2.414 1.00 0.00 O ATOM 350 CB ARG A 70 6.309 -9.776 -2.345 1.00 0.00 C ATOM 351 CG ARG A 70 6.641 -11.269 -2.251 1.00 0.00 C ATOM 352 CD ARG A 70 5.472 -12.125 -2.748 1.00 0.00 C ATOM 353 NE ARG A 70 5.899 -13.501 -3.063 1.00 0.00 N ATOM 354 CZ ARG A 70 6.261 -14.003 -4.252 1.00 0.00 C ATOM 355 NH1 ARG A 70 6.119 -13.316 -5.376 1.00 0.00 N ATOM 356 NH2 ARG A 70 6.767 -15.223 -4.319 1.00 0.00 N ATOM 0 H ARG A 70 5.584 -9.082 -0.110 1.00 0.00 H new ATOM 0 HA ARG A 70 8.125 -9.434 -1.240 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.261 -9.625 -2.085 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.432 -9.446 -3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.531 -11.485 -2.842 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.873 -11.529 -1.218 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.691 -12.151 -1.988 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.037 -11.667 -3.636 1.00 0.00 H new ATOM 0 HE ARG A 70 5.922 -14.152 -2.278 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.724 -12.376 -5.353 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.405 -13.727 -6.265 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.880 -15.776 -3.469 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.045 -15.611 -5.220 1.00 0.00 H new ATOM 370 N ILE A 71 6.459 -6.783 -2.359 1.00 0.00 N ATOM 371 CA ILE A 71 6.604 -5.493 -3.021 1.00 0.00 C ATOM 372 C ILE A 71 7.605 -4.648 -2.230 1.00 0.00 C ATOM 373 O ILE A 71 8.509 -4.069 -2.830 1.00 0.00 O ATOM 374 CB ILE A 71 5.223 -4.817 -3.204 1.00 0.00 C ATOM 375 CG1 ILE A 71 4.298 -5.635 -4.141 1.00 0.00 C ATOM 376 CG2 ILE A 71 5.392 -3.408 -3.795 1.00 0.00 C ATOM 377 CD1 ILE A 71 2.824 -5.225 -4.009 1.00 0.00 C ATOM 0 H ILE A 71 5.497 -7.012 -2.110 1.00 0.00 H new ATOM 0 HA ILE A 71 7.002 -5.615 -4.028 1.00 0.00 H new ATOM 0 HB ILE A 71 4.764 -4.763 -2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.619 -5.499 -5.174 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.399 -6.696 -3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.413 -2.945 -3.918 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.998 -2.801 -3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.885 -3.477 -4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.217 -5.827 -4.685 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.492 -5.386 -2.983 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.715 -4.171 -4.264 1.00 0.00 H new ATOM 389 N ARG A 72 7.479 -4.609 -0.899 1.00 0.00 N ATOM 390 CA ARG A 72 8.383 -3.842 -0.060 1.00 0.00 C ATOM 391 C ARG A 72 9.821 -4.291 -0.246 1.00 0.00 C ATOM 392 O ARG A 72 10.686 -3.447 -0.416 1.00 0.00 O ATOM 393 CB ARG A 72 7.953 -3.972 1.400 1.00 0.00 C ATOM 394 CG ARG A 72 8.792 -3.083 2.323 1.00 0.00 C ATOM 395 CD ARG A 72 8.137 -3.029 3.699 1.00 0.00 C ATOM 396 NE ARG A 72 8.455 -4.173 4.562 1.00 0.00 N ATOM 397 CZ ARG A 72 8.038 -4.255 5.830 1.00 0.00 C ATOM 398 NH1 ARG A 72 7.185 -3.356 6.320 1.00 0.00 N ATOM 399 NH2 ARG A 72 8.485 -5.226 6.613 1.00 0.00 N ATOM 0 H ARG A 72 6.752 -5.106 -0.385 1.00 0.00 H new ATOM 0 HA ARG A 72 8.333 -2.794 -0.355 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.901 -3.703 1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.045 -5.012 1.715 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.805 -3.477 2.405 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.873 -2.079 1.906 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.447 -2.112 4.201 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.056 -2.973 3.572 1.00 0.00 H new ATOM 0 HE ARG A 72 9.016 -4.935 4.180 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.846 -2.599 5.727 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.871 -3.425 7.288 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.147 -5.911 6.249 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.167 -5.288 7.580 1.00 0.00 H new ATOM 413 N GLN A 73 10.089 -5.594 -0.193 1.00 0.00 N ATOM 414 CA GLN A 73 11.433 -6.129 -0.350 1.00 0.00 C ATOM 415 C GLN A 73 12.000 -5.819 -1.737 1.00 0.00 C ATOM 416 O GLN A 73 13.166 -5.444 -1.846 1.00 0.00 O ATOM 417 CB GLN A 73 11.385 -7.651 -0.118 1.00 0.00 C ATOM 418 CG GLN A 73 12.761 -8.308 0.059 1.00 0.00 C ATOM 419 CD GLN A 73 13.315 -8.321 1.484 1.00 0.00 C ATOM 420 OE1 GLN A 73 13.125 -7.286 2.289 1.00 0.00 O flip ATOM 421 NE2 GLN A 73 13.994 -9.268 1.876 1.00 0.00 N flip ATOM 0 H GLN A 73 9.376 -6.307 -0.039 1.00 0.00 H new ATOM 0 HA GLN A 73 12.091 -5.658 0.380 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.783 -7.853 0.768 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.878 -8.119 -0.962 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.700 -9.337 -0.296 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.474 -7.791 -0.583 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.149 -10.071 1.267 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.403 -9.250 2.810 1.00 0.00 H new ATOM 430 N ASN A 74 11.167 -5.933 -2.772 1.00 0.00 N ATOM 431 CA ASN A 74 11.562 -5.713 -4.156 1.00 0.00 C ATOM 432 C ASN A 74 11.971 -4.282 -4.473 1.00 0.00 C ATOM 433 O ASN A 74 12.771 -4.072 -5.385 1.00 0.00 O ATOM 434 CB ASN A 74 10.407 -6.051 -5.112 1.00 0.00 C ATOM 435 CG ASN A 74 10.003 -7.513 -5.100 1.00 0.00 C ATOM 436 OD1 ASN A 74 10.807 -8.403 -4.838 1.00 0.00 O ATOM 437 ND2 ASN A 74 8.746 -7.795 -5.413 1.00 0.00 N ATOM 0 H ASN A 74 10.184 -6.185 -2.666 1.00 0.00 H new ATOM 0 HA ASN A 74 12.425 -6.365 -4.294 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.541 -5.443 -4.848 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.695 -5.773 -6.126 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.432 -8.765 -5.439 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.093 -7.042 -5.628 1.00 0.00 H new ATOM 444 N GLU A 75 11.444 -3.309 -3.732 1.00 0.00 N ATOM 445 CA GLU A 75 11.685 -1.885 -3.933 1.00 0.00 C ATOM 446 C GLU A 75 12.131 -1.192 -2.642 1.00 0.00 C ATOM 447 O GLU A 75 11.951 0.015 -2.468 1.00 0.00 O ATOM 448 CB GLU A 75 10.384 -1.289 -4.477 1.00 0.00 C ATOM 449 CG GLU A 75 10.013 -1.784 -5.885 1.00 0.00 C ATOM 450 CD GLU A 75 10.839 -1.144 -7.004 1.00 0.00 C ATOM 451 OE1 GLU A 75 11.232 0.040 -6.906 1.00 0.00 O ATOM 452 OE2 GLU A 75 11.026 -1.806 -8.051 1.00 0.00 O ATOM 0 H GLU A 75 10.817 -3.498 -2.950 1.00 0.00 H new ATOM 0 HA GLU A 75 12.502 -1.733 -4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.571 -1.530 -3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.473 -0.203 -4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.141 -2.866 -5.925 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.957 -1.581 -6.064 1.00 0.00 H new ATOM 459 N ILE A 76 12.774 -1.931 -1.740 1.00 0.00 N ATOM 460 CA ILE A 76 13.267 -1.456 -0.447 1.00 0.00 C ATOM 461 C ILE A 76 14.285 -0.303 -0.550 1.00 0.00 C ATOM 462 O ILE A 76 14.640 0.317 0.451 1.00 0.00 O ATOM 463 CB ILE A 76 13.811 -2.682 0.320 1.00 0.00 C ATOM 464 CG1 ILE A 76 14.120 -2.438 1.807 1.00 0.00 C ATOM 465 CG2 ILE A 76 15.050 -3.271 -0.371 1.00 0.00 C ATOM 466 CD1 ILE A 76 12.909 -1.956 2.614 1.00 0.00 C ATOM 0 H ILE A 76 12.975 -2.919 -1.896 1.00 0.00 H new ATOM 0 HA ILE A 76 12.444 -1.005 0.107 1.00 0.00 H new ATOM 0 HB ILE A 76 12.988 -3.396 0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 76 14.496 -3.361 2.248 1.00 0.00 H new ATOM 0 HG13 ILE A 76 14.917 -1.699 1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 76 15.407 -4.132 0.194 1.00 0.00 H new ATOM 0 HG22 ILE A 76 14.789 -3.584 -1.382 1.00 0.00 H new ATOM 0 HG23 ILE A 76 15.835 -2.516 -0.417 1.00 0.00 H new ATOM 0 HD11 ILE A 76 13.201 -1.805 3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 76 12.546 -1.016 2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.118 -2.704 2.565 1.00 0.00 H new ATOM 478 N ASN A 77 14.779 -0.011 -1.753 1.00 0.00 N ATOM 479 CA ASN A 77 15.758 1.037 -2.041 1.00 0.00 C ATOM 480 C ASN A 77 15.151 2.188 -2.848 1.00 0.00 C ATOM 481 O ASN A 77 15.895 3.081 -3.262 1.00 0.00 O ATOM 482 CB ASN A 77 16.938 0.427 -2.813 1.00 0.00 C ATOM 483 CG ASN A 77 17.623 -0.696 -2.052 1.00 0.00 C ATOM 484 OD1 ASN A 77 17.344 -1.872 -2.280 1.00 0.00 O ATOM 485 ND2 ASN A 77 18.531 -0.386 -1.150 1.00 0.00 N ATOM 0 H ASN A 77 14.495 -0.521 -2.590 1.00 0.00 H new ATOM 0 HA ASN A 77 16.098 1.450 -1.091 1.00 0.00 H new ATOM 0 HB2 ASN A 77 16.582 0.046 -3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 77 17.666 1.208 -3.031 1.00 0.00 H new ATOM 0 HD21 ASN A 77 19.010 -1.124 -0.634 1.00 0.00 H new ATOM 0 HD22 ASN A 77 18.756 0.592 -0.968 1.00 0.00 H new ATOM 492 N ASN A 78 13.835 2.179 -3.096 1.00 0.00 N ATOM 493 CA ASN A 78 13.153 3.211 -3.872 1.00 0.00 C ATOM 494 C ASN A 78 12.125 3.968 -3.033 1.00 0.00 C ATOM 495 O ASN A 78 11.428 3.356 -2.217 1.00 0.00 O ATOM 496 CB ASN A 78 12.500 2.575 -5.119 1.00 0.00 C ATOM 497 CG ASN A 78 13.002 3.243 -6.387 1.00 0.00 C ATOM 498 OD1 ASN A 78 14.205 3.396 -6.574 1.00 0.00 O ATOM 499 ND2 ASN A 78 12.136 3.686 -7.279 1.00 0.00 N ATOM 0 H ASN A 78 13.212 1.446 -2.758 1.00 0.00 H new ATOM 0 HA ASN A 78 13.893 3.944 -4.194 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.725 1.509 -5.150 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.416 2.670 -5.057 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.467 4.155 -8.122 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.136 3.560 -7.125 1.00 0.00 H new ATOM 506 N PRO A 79 11.969 5.285 -3.260 1.00 0.00 N ATOM 507 CA PRO A 79 11.023 6.104 -2.515 1.00 0.00 C ATOM 508 C PRO A 79 9.585 5.778 -2.898 1.00 0.00 C ATOM 509 O PRO A 79 8.695 5.819 -2.052 1.00 0.00 O ATOM 510 CB PRO A 79 11.364 7.552 -2.852 1.00 0.00 C ATOM 511 CG PRO A 79 12.129 7.485 -4.171 1.00 0.00 C ATOM 512 CD PRO A 79 12.727 6.090 -4.207 1.00 0.00 C ATOM 0 HA PRO A 79 11.100 5.916 -1.444 1.00 0.00 H new ATOM 0 HB2 PRO A 79 10.462 8.157 -2.950 1.00 0.00 H new ATOM 0 HB3 PRO A 79 11.969 8.007 -2.068 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.467 7.653 -5.020 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.905 8.249 -4.216 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.665 5.668 -5.210 1.00 0.00 H new ATOM 0 HD3 PRO A 79 13.783 6.114 -3.936 1.00 0.00 H new ATOM 520 N LYS A 80 9.361 5.365 -4.149 1.00 0.00 N ATOM 521 CA LYS A 80 8.045 5.013 -4.664 1.00 0.00 C ATOM 522 C LYS A 80 7.325 3.947 -3.846 1.00 0.00 C ATOM 523 O LYS A 80 6.106 3.886 -3.937 1.00 0.00 O ATOM 524 CB LYS A 80 8.175 4.533 -6.122 1.00 0.00 C ATOM 525 CG LYS A 80 7.997 5.664 -7.137 1.00 0.00 C ATOM 526 CD LYS A 80 6.521 6.077 -7.228 1.00 0.00 C ATOM 527 CE LYS A 80 6.306 7.177 -8.261 1.00 0.00 C ATOM 528 NZ LYS A 80 6.426 6.672 -9.641 1.00 0.00 N ATOM 0 H LYS A 80 10.105 5.266 -4.840 1.00 0.00 H new ATOM 0 HA LYS A 80 7.439 5.917 -4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.154 4.075 -6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.431 3.759 -6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.603 6.521 -6.845 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.352 5.341 -8.116 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.916 5.209 -7.489 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.179 6.422 -6.252 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.319 7.617 -8.121 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.035 7.971 -8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.256 7.449 -10.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.382 6.290 -9.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.725 5.920 -9.798 1.00 0.00 H new ATOM 542 N PHE A 81 8.039 3.153 -3.048 1.00 0.00 N ATOM 543 CA PHE A 81 7.486 2.081 -2.231 1.00 0.00 C ATOM 544 C PHE A 81 7.836 2.228 -0.752 1.00 0.00 C ATOM 545 O PHE A 81 7.516 1.334 0.036 1.00 0.00 O ATOM 546 CB PHE A 81 8.006 0.760 -2.799 1.00 0.00 C ATOM 547 CG PHE A 81 7.605 0.508 -4.244 1.00 0.00 C ATOM 548 CD1 PHE A 81 8.307 1.100 -5.313 1.00 0.00 C ATOM 549 CD2 PHE A 81 6.510 -0.322 -4.523 1.00 0.00 C ATOM 550 CE1 PHE A 81 7.908 0.875 -6.642 1.00 0.00 C ATOM 551 CE2 PHE A 81 6.146 -0.598 -5.851 1.00 0.00 C ATOM 552 CZ PHE A 81 6.830 0.017 -6.914 1.00 0.00 C ATOM 0 H PHE A 81 9.050 3.244 -2.952 1.00 0.00 H new ATOM 0 HA PHE A 81 6.397 2.118 -2.273 1.00 0.00 H new ATOM 0 HB2 PHE A 81 9.094 0.748 -2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.637 -0.059 -2.182 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.159 1.732 -5.109 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.942 -0.752 -3.711 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.430 1.361 -7.453 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.338 -1.285 -6.056 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.528 -0.169 -7.934 1.00 0.00 H new ATOM 562 N ASN A 82 8.476 3.337 -0.355 1.00 0.00 N ATOM 563 CA ASN A 82 8.853 3.552 1.036 1.00 0.00 C ATOM 564 C ASN A 82 7.647 3.556 1.972 1.00 0.00 C ATOM 565 O ASN A 82 7.818 3.222 3.139 1.00 0.00 O ATOM 566 CB ASN A 82 9.744 4.789 1.230 1.00 0.00 C ATOM 567 CG ASN A 82 9.077 6.141 0.985 1.00 0.00 C ATOM 568 OD1 ASN A 82 7.892 6.252 0.690 1.00 0.00 O ATOM 569 ND2 ASN A 82 9.858 7.205 1.036 1.00 0.00 N ATOM 0 H ASN A 82 8.741 4.096 -0.983 1.00 0.00 H new ATOM 0 HA ASN A 82 9.463 2.693 1.316 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.131 4.777 2.249 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.601 4.703 0.562 1.00 0.00 H new ATOM 0 HD21 ASN A 82 9.476 8.128 0.829 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.843 7.104 1.282 1.00 0.00 H new ATOM 576 N PHE A 83 6.434 3.814 1.466 1.00 0.00 N ATOM 577 CA PHE A 83 5.203 3.827 2.253 1.00 0.00 C ATOM 578 C PHE A 83 4.926 2.462 2.902 1.00 0.00 C ATOM 579 O PHE A 83 4.169 2.362 3.872 1.00 0.00 O ATOM 580 CB PHE A 83 4.031 4.323 1.390 1.00 0.00 C ATOM 581 CG PHE A 83 3.644 3.429 0.221 1.00 0.00 C ATOM 582 CD1 PHE A 83 2.892 2.259 0.454 1.00 0.00 C ATOM 583 CD2 PHE A 83 4.006 3.758 -1.102 1.00 0.00 C ATOM 584 CE1 PHE A 83 2.539 1.413 -0.612 1.00 0.00 C ATOM 585 CE2 PHE A 83 3.671 2.891 -2.149 1.00 0.00 C ATOM 586 CZ PHE A 83 2.935 1.726 -1.917 1.00 0.00 C ATOM 0 H PHE A 83 6.282 4.023 0.479 1.00 0.00 H new ATOM 0 HA PHE A 83 5.325 4.528 3.079 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.159 4.447 2.032 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.283 5.309 1.001 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.585 2.011 1.459 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.539 4.675 -1.306 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.961 0.520 -0.423 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.987 3.127 -3.154 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.674 1.073 -2.737 1.00 0.00 H new ATOM 596 N LEU A 84 5.519 1.387 2.372 1.00 0.00 N ATOM 597 CA LEU A 84 5.362 0.037 2.894 1.00 0.00 C ATOM 598 C LEU A 84 6.235 -0.179 4.133 1.00 0.00 C ATOM 599 O LEU A 84 6.049 -1.162 4.854 1.00 0.00 O ATOM 600 CB LEU A 84 5.726 -0.979 1.800 1.00 0.00 C ATOM 601 CG LEU A 84 4.744 -1.014 0.621 1.00 0.00 C ATOM 602 CD1 LEU A 84 5.279 -1.905 -0.497 1.00 0.00 C ATOM 603 CD2 LEU A 84 3.380 -1.543 1.072 1.00 0.00 C ATOM 0 H LEU A 84 6.129 1.437 1.556 1.00 0.00 H new ATOM 0 HA LEU A 84 4.323 -0.105 3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.722 -0.748 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.777 -1.973 2.245 1.00 0.00 H new ATOM 0 HG LEU A 84 4.632 0.005 0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.569 -1.917 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.236 -1.516 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.415 -2.919 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.697 -1.560 0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.494 -2.553 1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.976 -0.893 1.848 1.00 0.00 H new ATOM 615 N ASN A 85 7.217 0.686 4.375 1.00 0.00 N ATOM 616 CA ASN A 85 8.105 0.589 5.533 1.00 0.00 C ATOM 617 C ASN A 85 7.426 1.282 6.720 1.00 0.00 C ATOM 618 O ASN A 85 6.791 2.319 6.543 1.00 0.00 O ATOM 619 CB ASN A 85 9.481 1.199 5.253 1.00 0.00 C ATOM 620 CG ASN A 85 10.214 0.447 4.150 1.00 0.00 C ATOM 621 OD1 ASN A 85 10.388 -0.764 4.243 1.00 0.00 O ATOM 622 ND2 ASN A 85 10.635 1.118 3.097 1.00 0.00 N ATOM 0 H ASN A 85 7.421 1.481 3.769 1.00 0.00 H new ATOM 0 HA ASN A 85 8.279 -0.462 5.763 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.365 2.244 4.966 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.079 1.183 6.164 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.115 0.631 2.340 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.481 2.125 3.039 1.00 0.00 H new ATOM 629 N PRO A 86 7.594 0.773 7.951 1.00 0.00 N ATOM 630 CA PRO A 86 6.960 1.319 9.152 1.00 0.00 C ATOM 631 C PRO A 86 7.360 2.743 9.540 1.00 0.00 C ATOM 632 O PRO A 86 6.611 3.422 10.244 1.00 0.00 O ATOM 633 CB PRO A 86 7.262 0.319 10.269 1.00 0.00 C ATOM 634 CG PRO A 86 8.466 -0.467 9.770 1.00 0.00 C ATOM 635 CD PRO A 86 8.339 -0.430 8.256 1.00 0.00 C ATOM 0 HA PRO A 86 5.894 1.433 8.956 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.483 0.828 11.207 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.411 -0.336 10.455 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.401 -0.015 10.102 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.456 -1.490 10.145 1.00 0.00 H new ATOM 0 HD2 PRO A 86 9.320 -0.413 7.782 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.821 -1.315 7.885 1.00 0.00 H new ATOM 643 N ASN A 87 8.533 3.186 9.102 1.00 0.00 N ATOM 644 CA ASN A 87 9.110 4.506 9.351 1.00 0.00 C ATOM 645 C ASN A 87 8.576 5.562 8.384 1.00 0.00 C ATOM 646 O ASN A 87 9.028 6.704 8.429 1.00 0.00 O ATOM 647 CB ASN A 87 10.646 4.434 9.271 1.00 0.00 C ATOM 648 CG ASN A 87 11.104 3.591 8.100 1.00 0.00 C ATOM 649 OD1 ASN A 87 11.079 4.024 6.957 1.00 0.00 O ATOM 650 ND2 ASN A 87 11.374 2.319 8.360 1.00 0.00 N ATOM 0 H ASN A 87 9.143 2.602 8.531 1.00 0.00 H new ATOM 0 HA ASN A 87 8.812 4.810 10.355 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.054 5.441 9.177 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.040 4.016 10.197 1.00 0.00 H new ATOM 0 HD21 ASN A 87 11.568 1.672 7.596 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.388 1.987 9.324 1.00 0.00 H new ATOM 657 N ASP A 88 7.657 5.228 7.483 1.00 0.00 N ATOM 658 CA ASP A 88 7.108 6.209 6.558 1.00 0.00 C ATOM 659 C ASP A 88 5.984 6.978 7.254 1.00 0.00 C ATOM 660 O ASP A 88 5.210 6.395 8.028 1.00 0.00 O ATOM 661 CB ASP A 88 6.542 5.506 5.326 1.00 0.00 C ATOM 662 CG ASP A 88 6.479 6.480 4.164 1.00 0.00 C ATOM 663 OD1 ASP A 88 7.549 6.803 3.608 1.00 0.00 O ATOM 664 OD2 ASP A 88 5.373 7.006 3.901 1.00 0.00 O ATOM 0 H ASP A 88 7.279 4.287 7.375 1.00 0.00 H new ATOM 0 HA ASP A 88 7.898 6.894 6.250 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.167 4.652 5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.547 5.118 5.542 1.00 0.00 H new ATOM 669 N PRO A 89 5.844 8.279 6.983 1.00 0.00 N ATOM 670 CA PRO A 89 4.802 9.114 7.549 1.00 0.00 C ATOM 671 C PRO A 89 3.415 8.647 7.102 1.00 0.00 C ATOM 672 O PRO A 89 2.443 8.875 7.824 1.00 0.00 O ATOM 673 CB PRO A 89 5.092 10.519 7.017 1.00 0.00 C ATOM 674 CG PRO A 89 5.944 10.299 5.778 1.00 0.00 C ATOM 675 CD PRO A 89 6.697 9.053 6.111 1.00 0.00 C ATOM 0 HA PRO A 89 4.800 9.075 8.638 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.170 11.048 6.774 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.619 11.121 7.757 1.00 0.00 H new ATOM 0 HG2 PRO A 89 5.333 10.176 4.884 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.614 11.139 5.593 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.939 8.493 5.208 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.641 9.290 6.602 1.00 0.00 H new ATOM 683 N TYR A 90 3.304 7.984 5.948 1.00 0.00 N ATOM 684 CA TYR A 90 2.042 7.501 5.416 1.00 0.00 C ATOM 685 C TYR A 90 1.781 6.045 5.733 1.00 0.00 C ATOM 686 O TYR A 90 0.666 5.596 5.474 1.00 0.00 O ATOM 687 CB TYR A 90 2.027 7.710 3.909 1.00 0.00 C ATOM 688 CG TYR A 90 1.972 9.169 3.546 1.00 0.00 C ATOM 689 CD1 TYR A 90 0.728 9.815 3.538 1.00 0.00 C ATOM 690 CD2 TYR A 90 3.139 9.873 3.209 1.00 0.00 C ATOM 691 CE1 TYR A 90 0.626 11.113 3.032 1.00 0.00 C ATOM 692 CE2 TYR A 90 3.051 11.201 2.761 1.00 0.00 C ATOM 693 CZ TYR A 90 1.784 11.813 2.630 1.00 0.00 C ATOM 694 OH TYR A 90 1.653 13.047 2.072 1.00 0.00 O ATOM 0 H TYR A 90 4.104 7.768 5.354 1.00 0.00 H new ATOM 0 HA TYR A 90 1.247 8.071 5.896 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.918 7.260 3.471 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.167 7.196 3.480 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -0.147 9.312 3.921 1.00 0.00 H new ATOM 0 HD2 TYR A 90 4.103 9.394 3.294 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.343 11.583 2.948 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.947 11.752 2.518 1.00 0.00 H new ATOM 0 HH TYR A 90 2.539 13.401 1.849 1.00 0.00 H new ATOM 704 N HIS A 91 2.739 5.332 6.328 1.00 0.00 N ATOM 705 CA HIS A 91 2.551 3.925 6.649 1.00 0.00 C ATOM 706 C HIS A 91 1.248 3.673 7.415 1.00 0.00 C ATOM 707 O HIS A 91 0.461 2.818 7.021 1.00 0.00 O ATOM 708 CB HIS A 91 3.751 3.404 7.425 1.00 0.00 C ATOM 709 CG HIS A 91 3.737 1.907 7.508 1.00 0.00 C ATOM 710 ND1 HIS A 91 4.038 1.074 6.460 1.00 0.00 N ATOM 711 CD2 HIS A 91 3.460 1.135 8.602 1.00 0.00 C ATOM 712 CE1 HIS A 91 4.025 -0.182 6.925 1.00 0.00 C ATOM 713 NE2 HIS A 91 3.719 -0.195 8.237 1.00 0.00 N ATOM 0 H HIS A 91 3.649 5.709 6.595 1.00 0.00 H new ATOM 0 HA HIS A 91 2.470 3.378 5.710 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.671 3.735 6.943 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.748 3.826 8.430 1.00 0.00 H new ATOM 0 HD1 HIS A 91 4.236 1.359 5.501 1.00 0.00 H new ATOM 0 HD2 HIS A 91 3.109 1.482 9.563 1.00 0.00 H new ATOM 0 HE1 HIS A 91 4.231 -1.061 6.332 1.00 0.00 H new ATOM 721 N ALA A 92 0.976 4.453 8.463 1.00 0.00 N ATOM 722 CA ALA A 92 -0.228 4.314 9.273 1.00 0.00 C ATOM 723 C ALA A 92 -1.524 4.476 8.468 1.00 0.00 C ATOM 724 O ALA A 92 -2.533 3.877 8.843 1.00 0.00 O ATOM 725 CB ALA A 92 -0.166 5.327 10.410 1.00 0.00 C ATOM 0 H ALA A 92 1.593 5.204 8.773 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.254 3.297 9.666 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.060 5.237 11.027 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.717 5.135 11.020 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.110 6.334 9.997 1.00 0.00 H new ATOM 731 N TYR A 93 -1.510 5.312 7.427 1.00 0.00 N ATOM 732 CA TYR A 93 -2.649 5.551 6.549 1.00 0.00 C ATOM 733 C TYR A 93 -2.747 4.355 5.602 1.00 0.00 C ATOM 734 O TYR A 93 -3.842 3.838 5.394 1.00 0.00 O ATOM 735 CB TYR A 93 -2.475 6.882 5.800 1.00 0.00 C ATOM 736 CG TYR A 93 -3.339 7.056 4.563 1.00 0.00 C ATOM 737 CD1 TYR A 93 -4.741 7.064 4.654 1.00 0.00 C ATOM 738 CD2 TYR A 93 -2.734 7.183 3.303 1.00 0.00 C ATOM 739 CE1 TYR A 93 -5.528 7.236 3.501 1.00 0.00 C ATOM 740 CE2 TYR A 93 -3.510 7.328 2.139 1.00 0.00 C ATOM 741 CZ TYR A 93 -4.915 7.382 2.237 1.00 0.00 C ATOM 742 OH TYR A 93 -5.661 7.588 1.117 1.00 0.00 O ATOM 0 H TYR A 93 -0.685 5.853 7.168 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.577 5.641 7.113 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.691 7.698 6.490 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.429 6.980 5.508 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.217 6.937 5.615 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.657 7.169 3.226 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.605 7.256 3.583 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.031 7.398 1.174 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.069 7.666 0.340 1.00 0.00 H new ATOM 752 N TYR A 94 -1.607 3.877 5.078 1.00 0.00 N ATOM 753 CA TYR A 94 -1.567 2.729 4.183 1.00 0.00 C ATOM 754 C TYR A 94 -2.229 1.542 4.887 1.00 0.00 C ATOM 755 O TYR A 94 -3.033 0.835 4.283 1.00 0.00 O ATOM 756 CB TYR A 94 -0.125 2.400 3.727 1.00 0.00 C ATOM 757 CG TYR A 94 -0.009 1.124 2.903 1.00 0.00 C ATOM 758 CD1 TYR A 94 0.151 -0.100 3.569 1.00 0.00 C ATOM 759 CD2 TYR A 94 -0.110 1.122 1.499 1.00 0.00 C ATOM 760 CE1 TYR A 94 0.168 -1.309 2.854 1.00 0.00 C ATOM 761 CE2 TYR A 94 -0.163 -0.087 0.784 1.00 0.00 C ATOM 762 CZ TYR A 94 -0.020 -1.312 1.462 1.00 0.00 C ATOM 763 OH TYR A 94 -0.043 -2.492 0.790 1.00 0.00 O ATOM 0 H TYR A 94 -0.691 4.282 5.269 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.118 2.962 3.272 1.00 0.00 H new ATOM 0 HB2 TYR A 94 0.258 3.235 3.140 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.511 2.310 4.607 1.00 0.00 H new ATOM 0 HD1 TYR A 94 0.262 -0.113 4.643 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.147 2.060 0.965 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.326 -2.241 3.377 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.313 -0.076 -0.285 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.389 -3.196 1.377 1.00 0.00 H new ATOM 773 N ARG A 95 -1.928 1.345 6.177 1.00 0.00 N ATOM 774 CA ARG A 95 -2.505 0.251 6.969 1.00 0.00 C ATOM 775 C ARG A 95 -4.024 0.309 6.960 1.00 0.00 C ATOM 776 O ARG A 95 -4.673 -0.732 6.867 1.00 0.00 O ATOM 777 CB ARG A 95 -2.055 0.288 8.437 1.00 0.00 C ATOM 778 CG ARG A 95 -0.567 0.066 8.694 1.00 0.00 C ATOM 779 CD ARG A 95 -0.037 -1.175 7.981 1.00 0.00 C ATOM 780 NE ARG A 95 1.247 -1.581 8.543 1.00 0.00 N ATOM 781 CZ ARG A 95 1.431 -2.224 9.697 1.00 0.00 C ATOM 782 NH1 ARG A 95 0.463 -2.955 10.232 1.00 0.00 N ATOM 783 NH2 ARG A 95 2.593 -2.087 10.307 1.00 0.00 N ATOM 0 H ARG A 95 -1.281 1.936 6.699 1.00 0.00 H new ATOM 0 HA ARG A 95 -2.149 -0.667 6.502 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.334 1.255 8.856 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.614 -0.470 8.985 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -0.008 0.941 8.361 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.396 -0.032 9.766 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.755 -1.990 8.075 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.074 -0.970 6.916 1.00 0.00 H new ATOM 0 HE ARG A 95 2.081 -1.352 8.003 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -0.438 -3.032 9.760 1.00 0.00 H new ATOM 0 HH12 ARG A 95 0.619 -3.441 11.115 1.00 0.00 H new ATOM 0 HH21 ARG A 95 3.320 -1.502 9.894 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.764 -2.566 11.191 1.00 0.00 H new ATOM 797 N HIS A 96 -4.584 1.511 7.117 1.00 0.00 N ATOM 798 CA HIS A 96 -6.020 1.687 7.117 1.00 0.00 C ATOM 799 C HIS A 96 -6.567 1.224 5.783 1.00 0.00 C ATOM 800 O HIS A 96 -7.476 0.403 5.777 1.00 0.00 O ATOM 801 CB HIS A 96 -6.410 3.147 7.423 1.00 0.00 C ATOM 802 CG HIS A 96 -7.904 3.378 7.465 1.00 0.00 C ATOM 803 ND1 HIS A 96 -8.777 3.194 6.426 1.00 0.00 N flip ATOM 804 CD2 HIS A 96 -8.634 3.849 8.538 1.00 0.00 C flip ATOM 805 CE1 HIS A 96 -10.053 3.516 6.884 1.00 0.00 C flip ATOM 806 NE2 HIS A 96 -9.923 3.903 8.157 1.00 0.00 N flip ATOM 0 H HIS A 96 -4.054 2.373 7.245 1.00 0.00 H new ATOM 0 HA HIS A 96 -6.460 1.083 7.911 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -5.979 3.436 8.381 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -5.971 3.798 6.667 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -8.242 4.124 9.506 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -10.972 3.463 6.319 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -10.694 4.198 8.756 1.00 0.00 H new ATOM 814 N LYS A 97 -6.040 1.743 4.672 1.00 0.00 N ATOM 815 CA LYS A 97 -6.501 1.396 3.341 1.00 0.00 C ATOM 816 C LYS A 97 -6.512 -0.096 3.105 1.00 0.00 C ATOM 817 O LYS A 97 -7.478 -0.562 2.521 1.00 0.00 O ATOM 818 CB LYS A 97 -5.606 2.067 2.313 1.00 0.00 C ATOM 819 CG LYS A 97 -5.702 3.606 2.291 1.00 0.00 C ATOM 820 CD LYS A 97 -7.133 4.124 2.058 1.00 0.00 C ATOM 821 CE LYS A 97 -7.710 3.541 0.766 1.00 0.00 C ATOM 822 NZ LYS A 97 -9.026 4.084 0.367 1.00 0.00 N ATOM 0 H LYS A 97 -5.277 2.420 4.679 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.529 1.746 3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.572 1.783 2.509 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.860 1.685 1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.330 4.000 3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.051 3.992 1.507 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.767 3.851 2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.128 5.213 2.002 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.001 3.718 -0.043 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.800 2.461 0.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.105 4.076 -0.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.782 3.498 0.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -9.118 5.060 0.714 1.00 0.00 H new ATOM 836 N VAL A 98 -5.479 -0.834 3.511 1.00 0.00 N ATOM 837 CA VAL A 98 -5.444 -2.279 3.311 1.00 0.00 C ATOM 838 C VAL A 98 -6.716 -2.874 3.878 1.00 0.00 C ATOM 839 O VAL A 98 -7.510 -3.435 3.131 1.00 0.00 O ATOM 840 CB VAL A 98 -4.192 -2.880 3.963 1.00 0.00 C ATOM 841 CG1 VAL A 98 -4.273 -4.414 4.058 1.00 0.00 C ATOM 842 CG2 VAL A 98 -2.973 -2.401 3.159 1.00 0.00 C ATOM 0 H VAL A 98 -4.657 -0.454 3.980 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.390 -2.513 2.248 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.104 -2.539 4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.366 -4.798 4.526 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.138 -4.696 4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.372 -4.836 3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.064 -2.812 3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.062 -2.739 2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.927 -1.312 3.182 1.00 0.00 H new ATOM 852 N SER A 99 -6.908 -2.710 5.179 1.00 0.00 N ATOM 853 CA SER A 99 -8.062 -3.209 5.880 1.00 0.00 C ATOM 854 C SER A 99 -9.349 -2.704 5.202 1.00 0.00 C ATOM 855 O SER A 99 -10.257 -3.485 4.975 1.00 0.00 O ATOM 856 CB SER A 99 -7.903 -2.740 7.325 1.00 0.00 C ATOM 857 OG SER A 99 -6.696 -3.245 7.881 1.00 0.00 O ATOM 0 H SER A 99 -6.248 -2.216 5.780 1.00 0.00 H new ATOM 0 HA SER A 99 -8.139 -4.296 5.859 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.900 -1.651 7.362 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.753 -3.077 7.919 1.00 0.00 H new ATOM 0 HG SER A 99 -6.607 -2.935 8.806 1.00 0.00 H new ATOM 863 N GLU A 100 -9.418 -1.438 4.791 1.00 0.00 N ATOM 864 CA GLU A 100 -10.558 -0.815 4.112 1.00 0.00 C ATOM 865 C GLU A 100 -10.944 -1.623 2.871 1.00 0.00 C ATOM 866 O GLU A 100 -12.110 -2.000 2.707 1.00 0.00 O ATOM 867 CB GLU A 100 -10.150 0.618 3.708 1.00 0.00 C ATOM 868 CG GLU A 100 -11.162 1.746 3.947 1.00 0.00 C ATOM 869 CD GLU A 100 -10.740 3.019 3.188 1.00 0.00 C ATOM 870 OE1 GLU A 100 -11.074 3.207 1.996 1.00 0.00 O ATOM 871 OE2 GLU A 100 -10.015 3.862 3.757 1.00 0.00 O ATOM 0 H GLU A 100 -8.645 -0.787 4.928 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.421 -0.788 4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.236 0.870 4.245 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.904 0.609 2.646 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.152 1.430 3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.234 1.958 5.014 1.00 0.00 H new ATOM 878 N PHE A 101 -9.965 -1.867 1.990 1.00 0.00 N ATOM 879 CA PHE A 101 -10.171 -2.618 0.766 1.00 0.00 C ATOM 880 C PHE A 101 -10.527 -4.064 1.085 1.00 0.00 C ATOM 881 O PHE A 101 -11.300 -4.680 0.352 1.00 0.00 O ATOM 882 CB PHE A 101 -8.944 -2.517 -0.167 1.00 0.00 C ATOM 883 CG PHE A 101 -8.852 -1.258 -1.028 1.00 0.00 C ATOM 884 CD1 PHE A 101 -9.515 -1.201 -2.270 1.00 0.00 C ATOM 885 CD2 PHE A 101 -8.014 -0.186 -0.666 1.00 0.00 C ATOM 886 CE1 PHE A 101 -9.380 -0.076 -3.112 1.00 0.00 C ATOM 887 CE2 PHE A 101 -7.878 0.935 -1.504 1.00 0.00 C ATOM 888 CZ PHE A 101 -8.571 1.002 -2.720 1.00 0.00 C ATOM 0 H PHE A 101 -9.006 -1.543 2.116 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.012 -2.180 0.228 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.043 -2.581 0.444 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.944 -3.384 -0.827 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.135 -2.029 -2.582 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.469 -0.225 0.266 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.899 -0.045 -4.058 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.235 1.750 -1.208 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.483 1.875 -3.350 1.00 0.00 H new ATOM 898 N LYS A 102 -9.991 -4.609 2.172 1.00 0.00 N ATOM 899 CA LYS A 102 -10.269 -5.986 2.583 1.00 0.00 C ATOM 900 C LYS A 102 -11.683 -6.122 3.120 1.00 0.00 C ATOM 901 O LYS A 102 -12.317 -7.154 2.903 1.00 0.00 O ATOM 902 CB LYS A 102 -9.289 -6.400 3.670 1.00 0.00 C ATOM 903 CG LYS A 102 -7.924 -6.709 3.083 1.00 0.00 C ATOM 904 CD LYS A 102 -6.914 -7.139 4.132 1.00 0.00 C ATOM 905 CE LYS A 102 -6.603 -8.614 3.944 1.00 0.00 C ATOM 906 NZ LYS A 102 -5.863 -9.211 5.072 1.00 0.00 N ATOM 0 H LYS A 102 -9.353 -4.112 2.794 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.162 -6.629 1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.200 -5.602 4.407 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.670 -7.276 4.194 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.025 -7.498 2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -7.549 -5.827 2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.003 -6.548 4.042 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.311 -6.962 5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.537 -9.159 3.804 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.021 -8.740 3.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.685 -10.217 4.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.956 -8.716 5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.425 -9.121 5.942 1.00 0.00 H new ATOM 920 N GLU A 103 -12.190 -5.112 3.827 1.00 0.00 N ATOM 921 CA GLU A 103 -13.542 -5.159 4.366 1.00 0.00 C ATOM 922 C GLU A 103 -14.540 -5.066 3.206 1.00 0.00 C ATOM 923 O GLU A 103 -15.695 -5.458 3.357 1.00 0.00 O ATOM 924 CB GLU A 103 -13.803 -4.039 5.382 1.00 0.00 C ATOM 925 CG GLU A 103 -12.739 -3.928 6.486 1.00 0.00 C ATOM 926 CD GLU A 103 -13.290 -3.887 7.898 1.00 0.00 C ATOM 927 OE1 GLU A 103 -13.967 -4.844 8.317 1.00 0.00 O ATOM 928 OE2 GLU A 103 -12.966 -2.914 8.620 1.00 0.00 O ATOM 0 H GLU A 103 -11.682 -4.253 4.038 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.665 -6.102 4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.860 -3.089 4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -14.776 -4.204 5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.058 -4.775 6.401 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.150 -3.027 6.314 1.00 0.00 H new ATOM 935 N GLY A 104 -14.090 -4.560 2.051 1.00 0.00 N ATOM 936 CA GLY A 104 -14.871 -4.415 0.831 1.00 0.00 C ATOM 937 C GLY A 104 -15.721 -3.154 0.814 1.00 0.00 C ATOM 938 O GLY A 104 -16.701 -3.098 0.068 1.00 0.00 O ATOM 0 H GLY A 104 -13.131 -4.229 1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.197 -4.403 -0.026 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.518 -5.284 0.716 1.00 0.00 H new ATOM 942 N LYS A 105 -15.379 -2.163 1.645 1.00 0.00 N ATOM 943 CA LYS A 105 -16.096 -0.893 1.756 1.00 0.00 C ATOM 944 C LYS A 105 -15.330 0.295 1.190 1.00 0.00 C ATOM 945 O LYS A 105 -15.937 1.351 1.000 1.00 0.00 O ATOM 946 CB LYS A 105 -16.408 -0.627 3.236 1.00 0.00 C ATOM 947 CG LYS A 105 -15.140 -0.354 4.067 1.00 0.00 C ATOM 948 CD LYS A 105 -15.490 -0.078 5.527 1.00 0.00 C ATOM 949 CE LYS A 105 -14.385 -0.590 6.459 1.00 0.00 C ATOM 950 NZ LYS A 105 -14.942 -1.154 7.702 1.00 0.00 N ATOM 0 H LYS A 105 -14.577 -2.226 2.272 1.00 0.00 H new ATOM 0 HA LYS A 105 -17.005 -0.991 1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -17.081 0.227 3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -16.934 -1.486 3.653 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.470 -1.211 4.006 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.605 0.499 3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.630 0.993 5.676 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.435 -0.561 5.777 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.798 -1.351 5.945 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.705 0.227 6.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.175 -1.567 8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.409 -0.401 8.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.635 -1.893 7.468 1.00 0.00 H new ATOM 964 N ALA A 106 -14.017 0.155 1.007 1.00 0.00 N ATOM 965 CA ALA A 106 -13.159 1.204 0.508 1.00 0.00 C ATOM 966 C ALA A 106 -13.566 1.708 -0.856 1.00 0.00 C ATOM 967 O ALA A 106 -13.860 0.908 -1.748 1.00 0.00 O ATOM 968 CB ALA A 106 -11.740 0.676 0.319 1.00 0.00 C ATOM 0 H ALA A 106 -13.520 -0.713 1.209 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.231 2.003 1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.102 1.475 -0.058 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -11.353 0.322 1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.750 -0.147 -0.395 1.00 0.00 H new ATOM 974 N GLN A 107 -13.573 3.030 -0.993 1.00 0.00 N ATOM 975 CA GLN A 107 -13.867 3.652 -2.263 1.00 0.00 C ATOM 976 C GLN A 107 -12.540 3.547 -3.021 1.00 0.00 C ATOM 977 O GLN A 107 -11.466 3.784 -2.448 1.00 0.00 O ATOM 978 CB GLN A 107 -14.378 5.090 -2.085 1.00 0.00 C ATOM 979 CG GLN A 107 -13.396 6.110 -1.476 1.00 0.00 C ATOM 980 CD GLN A 107 -12.700 6.949 -2.551 1.00 0.00 C ATOM 981 OE1 GLN A 107 -13.196 8.005 -2.935 1.00 0.00 O ATOM 982 NE2 GLN A 107 -11.556 6.518 -3.049 1.00 0.00 N ATOM 0 H GLN A 107 -13.377 3.685 -0.236 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.677 3.172 -2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -14.691 5.462 -3.061 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -15.267 5.058 -1.456 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.934 6.769 -0.794 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.646 5.583 -0.885 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -11.156 5.639 -2.721 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.072 7.064 -3.762 1.00 0.00 H new ATOM 991 N GLU A 108 -12.607 3.172 -4.287 1.00 0.00 N ATOM 992 CA GLU A 108 -11.461 3.007 -5.169 1.00 0.00 C ATOM 993 C GLU A 108 -11.406 4.163 -6.183 1.00 0.00 C ATOM 994 O GLU A 108 -12.440 4.789 -6.451 1.00 0.00 O ATOM 995 CB GLU A 108 -11.573 1.633 -5.850 1.00 0.00 C ATOM 996 CG GLU A 108 -12.740 1.596 -6.846 1.00 0.00 C ATOM 997 CD GLU A 108 -13.070 0.203 -7.358 1.00 0.00 C ATOM 998 OE1 GLU A 108 -12.211 -0.710 -7.297 1.00 0.00 O ATOM 999 OE2 GLU A 108 -14.208 0.008 -7.843 1.00 0.00 O ATOM 0 H GLU A 108 -13.494 2.966 -4.747 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.527 3.040 -4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.642 1.405 -6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.713 0.861 -5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.625 2.016 -6.369 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -12.501 2.237 -7.695 1.00 0.00 H new ATOM 1006 N PRO A 109 -10.233 4.445 -6.771 1.00 0.00 N ATOM 1007 CA PRO A 109 -10.063 5.508 -7.749 1.00 0.00 C ATOM 1008 C PRO A 109 -10.470 5.036 -9.152 1.00 0.00 C ATOM 1009 O PRO A 109 -11.041 3.964 -9.356 1.00 0.00 O ATOM 1010 CB PRO A 109 -8.570 5.847 -7.668 1.00 0.00 C ATOM 1011 CG PRO A 109 -7.927 4.488 -7.401 1.00 0.00 C ATOM 1012 CD PRO A 109 -8.959 3.779 -6.526 1.00 0.00 C ATOM 0 HA PRO A 109 -10.691 6.376 -7.549 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.206 6.292 -8.594 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -8.360 6.558 -6.869 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.740 3.942 -8.326 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -6.969 4.589 -6.892 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.020 2.720 -6.777 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -8.684 3.841 -5.473 1.00 0.00 H new ATOM 1020 N SER A 110 -10.227 5.887 -10.142 1.00 0.00 N ATOM 1021 CA SER A 110 -10.471 5.686 -11.561 1.00 0.00 C ATOM 1022 C SER A 110 -9.412 6.509 -12.272 1.00 0.00 C ATOM 1023 O SER A 110 -8.294 6.591 -11.719 1.00 0.00 O ATOM 1024 CB SER A 110 -11.901 6.073 -11.923 1.00 0.00 C ATOM 1025 OG SER A 110 -12.795 5.074 -11.453 1.00 0.00 O ATOM 0 H SER A 110 -9.823 6.805 -9.957 1.00 0.00 H new ATOM 0 HA SER A 110 -10.390 4.642 -11.863 1.00 0.00 H new ATOM 0 HB2 SER A 110 -12.151 7.037 -11.481 1.00 0.00 H new ATOM 0 HB3 SER A 110 -11.997 6.183 -13.003 1.00 0.00 H new ATOM 0 HG SER A 110 -12.350 4.534 -10.767 1.00 0.00 H new TER 1031 SER A 110