USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 637 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 Set 1.1: A 70 ASN : amide:sc= 1.88 K(o=1.7,f=-8.7!) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -0.184 USER MOD Set 2.1: A 37 HIS :FLIP no HE2:sc= -0.542 F(o=-5.7,f=-4.8) USER MOD Set 2.2: A 48 HIS :FLIP no HD1:sc= -4.28! C(o=-5.4!,f=-4.8!) USER MOD Single : A 7 SER OG : rot 41:sc= 0.129 USER MOD Single : A 8 MET CE :methyl 168:sc= -0.206 (180deg=-0.385) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0.96 (180deg=0.96) USER MOD Single : A 34 SER OG : rot 180:sc= -0.336 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 79:sc= 1.02 USER MOD Single : A 46 LYS NZ :NH3+ 149:sc= 1.21 (180deg=0.848) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 91:sc= 0.75 USER MOD Single : A 55 HIS : no HD1:sc= -0.0363 X(o=-0.036,f=-0.0072) USER MOD Single : A 57 LYS NZ :NH3+ -165:sc= 0.0452 (180deg=-0.147) USER MOD Single : A 62 LYS NZ :NH3+ 141:sc= -0.0388 (180deg=-0.24) USER MOD Single : A 64 SER OG : rot 102:sc= 0.879 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 16:sc= 0.409 USER MOD Single : A 69 GLN : amide:sc= 1.14 K(o=1.1,f=-6.8!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.653 USER MOD Single : A 92 LYS NZ :NH3+ -106:sc= 1.24 (180deg=-0.362) USER MOD Single : A 93 SER OG : rot 158:sc= 0.402 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 154:sc= -0.193 (180deg=-0.759) USER MOD ----------------------------------------------------------------- ATOM 69 N SER A 7 -17.488 -6.676 -4.687 1.00 0.00 N ATOM 70 CA SER A 7 -16.184 -6.060 -4.729 1.00 0.00 C ATOM 71 C SER A 7 -16.002 -5.075 -3.553 1.00 0.00 C ATOM 72 O SER A 7 -16.945 -4.379 -3.161 1.00 0.00 O ATOM 73 CB SER A 7 -16.022 -5.417 -6.090 1.00 0.00 C ATOM 74 OG SER A 7 -16.383 -6.348 -7.112 1.00 0.00 O ATOM 0 HA SER A 7 -15.394 -6.800 -4.603 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.648 -4.527 -6.159 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.991 -5.093 -6.229 1.00 0.00 H new ATOM 0 HG SER A 7 -17.179 -6.848 -6.833 1.00 0.00 H new ATOM 80 N MET A 8 -14.802 -5.043 -3.004 1.00 0.00 N ATOM 81 CA MET A 8 -14.520 -4.298 -1.807 1.00 0.00 C ATOM 82 C MET A 8 -13.506 -3.227 -2.024 1.00 0.00 C ATOM 83 O MET A 8 -12.537 -3.434 -2.706 1.00 0.00 O ATOM 84 CB MET A 8 -13.981 -5.189 -0.735 1.00 0.00 C ATOM 85 CG MET A 8 -14.596 -6.529 -0.576 1.00 0.00 C ATOM 86 SD MET A 8 -16.318 -6.573 -0.144 1.00 0.00 S ATOM 87 CE MET A 8 -16.402 -8.309 0.296 1.00 0.00 C ATOM 0 H MET A 8 -13.996 -5.539 -3.384 1.00 0.00 H new ATOM 0 HA MET A 8 -15.471 -3.853 -1.514 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.916 -5.329 -0.920 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.073 -4.663 0.215 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.466 -7.076 -1.510 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.040 -7.070 0.190 1.00 0.00 H new ATOM 0 HE1 MET A 8 -17.346 -8.511 0.802 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.337 -8.917 -0.607 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.574 -8.556 0.961 1.00 0.00 H new ATOM 97 N LYS A 9 -13.721 -2.096 -1.429 1.00 0.00 N ATOM 98 CA LYS A 9 -12.790 -0.995 -1.497 1.00 0.00 C ATOM 99 C LYS A 9 -11.986 -0.983 -0.193 1.00 0.00 C ATOM 100 O LYS A 9 -12.453 -0.540 0.862 1.00 0.00 O ATOM 101 CB LYS A 9 -13.557 0.292 -1.721 1.00 0.00 C ATOM 102 CG LYS A 9 -12.757 1.544 -1.920 1.00 0.00 C ATOM 103 CD LYS A 9 -11.933 1.563 -3.178 1.00 0.00 C ATOM 104 CE LYS A 9 -11.789 2.997 -3.675 1.00 0.00 C ATOM 105 NZ LYS A 9 -11.005 3.089 -4.922 1.00 0.00 N ATOM 0 H LYS A 9 -14.555 -1.901 -0.874 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.095 -1.100 -2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.195 0.157 -2.595 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.216 0.445 -0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.436 2.396 -1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.095 1.677 -1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.950 1.133 -2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.406 0.948 -3.944 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.779 3.421 -3.841 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.309 3.599 -2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.937 4.084 -5.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.050 2.710 -4.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.475 2.538 -5.669 1.00 0.00 H new ATOM 119 N ILE A 10 -10.808 -1.511 -0.286 1.00 0.00 N ATOM 120 CA ILE A 10 -9.943 -1.788 0.836 1.00 0.00 C ATOM 121 C ILE A 10 -8.657 -0.983 0.753 1.00 0.00 C ATOM 122 O ILE A 10 -8.060 -0.900 -0.304 1.00 0.00 O ATOM 123 CB ILE A 10 -9.578 -3.285 0.751 1.00 0.00 C ATOM 124 CG1 ILE A 10 -10.825 -4.146 0.909 1.00 0.00 C ATOM 125 CG2 ILE A 10 -8.499 -3.672 1.745 1.00 0.00 C ATOM 126 CD1 ILE A 10 -10.625 -5.567 0.487 1.00 0.00 C ATOM 0 H ILE A 10 -10.397 -1.776 -1.181 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.450 -1.528 1.765 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.160 -3.467 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.141 -4.126 1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.634 -3.711 0.322 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.277 -4.735 1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.597 -3.093 1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.846 -3.467 2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.553 -6.122 0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.338 -5.597 -0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.838 -6.019 1.091 1.00 0.00 H new ATOM 138 N ARG A 11 -8.233 -0.414 1.864 1.00 0.00 N ATOM 139 CA ARG A 11 -6.949 0.225 1.948 1.00 0.00 C ATOM 140 C ARG A 11 -5.859 -0.776 1.880 1.00 0.00 C ATOM 141 O ARG A 11 -5.925 -1.829 2.480 1.00 0.00 O ATOM 142 CB ARG A 11 -6.799 0.999 3.258 1.00 0.00 C ATOM 143 CG ARG A 11 -7.407 2.388 3.190 1.00 0.00 C ATOM 144 CD ARG A 11 -7.152 3.191 4.448 1.00 0.00 C ATOM 145 NE ARG A 11 -7.592 2.507 5.674 1.00 0.00 N ATOM 146 CZ ARG A 11 -7.256 2.910 6.915 1.00 0.00 C ATOM 147 NH1 ARG A 11 -6.688 4.105 7.096 1.00 0.00 N ATOM 148 NH2 ARG A 11 -7.555 2.162 7.966 1.00 0.00 N ATOM 0 H ARG A 11 -8.773 -0.385 2.729 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.882 0.913 1.105 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.274 0.438 4.063 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.741 1.082 3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.995 2.920 2.333 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.481 2.304 3.027 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.086 3.407 4.523 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.666 4.149 4.370 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.184 1.682 5.579 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.509 4.711 6.295 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.433 4.412 8.035 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.042 1.275 7.839 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.298 2.473 8.903 1.00 0.00 H new ATOM 162 N VAL A 12 -4.886 -0.466 1.126 1.00 0.00 N ATOM 163 CA VAL A 12 -3.778 -1.291 0.941 1.00 0.00 C ATOM 164 C VAL A 12 -2.547 -0.540 1.361 1.00 0.00 C ATOM 165 O VAL A 12 -2.360 0.580 0.857 1.00 0.00 O ATOM 166 CB VAL A 12 -3.619 -1.572 -0.597 1.00 0.00 C ATOM 167 CG1 VAL A 12 -2.417 -2.473 -0.845 1.00 0.00 C ATOM 168 CG2 VAL A 12 -4.876 -2.238 -1.140 1.00 0.00 C ATOM 0 H VAL A 12 -4.841 0.407 0.600 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.905 -2.211 1.512 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.466 -0.622 -1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.317 -2.661 -1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.515 -1.985 -0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.557 -3.419 -0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.755 -2.428 -2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.042 -3.181 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.732 -1.582 -0.983 1.00 0.00 H new ATOM 178 N GLU A 13 -1.734 -1.061 2.280 1.00 0.00 N ATOM 179 CA GLU A 13 -0.461 -0.431 2.450 1.00 0.00 C ATOM 180 C GLU A 13 0.484 -1.015 1.458 1.00 0.00 C ATOM 181 O GLU A 13 0.476 -2.203 1.243 1.00 0.00 O ATOM 182 CB GLU A 13 0.293 -0.485 3.807 1.00 0.00 C ATOM 183 CG GLU A 13 -0.174 0.547 4.831 1.00 0.00 C ATOM 184 CD GLU A 13 0.625 0.526 6.123 1.00 0.00 C ATOM 185 OE1 GLU A 13 1.688 1.205 6.217 1.00 0.00 O ATOM 186 OE2 GLU A 13 0.202 -0.153 7.079 1.00 0.00 O ATOM 0 H GLU A 13 -1.930 -1.866 2.875 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.739 0.617 2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.176 -1.481 4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.358 -0.340 3.623 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.108 1.541 4.389 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.225 0.369 5.060 1.00 0.00 H new ATOM 193 N LEU A 14 1.273 -0.225 0.875 1.00 0.00 N ATOM 194 CA LEU A 14 2.242 -0.695 -0.081 1.00 0.00 C ATOM 195 C LEU A 14 3.649 -0.456 0.392 1.00 0.00 C ATOM 196 O LEU A 14 3.984 0.646 0.815 1.00 0.00 O ATOM 197 CB LEU A 14 1.952 -0.009 -1.437 1.00 0.00 C ATOM 198 CG LEU A 14 2.995 0.015 -2.595 1.00 0.00 C ATOM 199 CD1 LEU A 14 4.050 1.081 -2.385 1.00 0.00 C ATOM 200 CD2 LEU A 14 3.634 -1.332 -2.825 1.00 0.00 C ATOM 0 H LEU A 14 1.288 0.783 1.030 1.00 0.00 H new ATOM 0 HA LEU A 14 2.154 -1.775 -0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.051 -0.473 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.705 1.029 -1.216 1.00 0.00 H new ATOM 0 HG LEU A 14 2.437 0.268 -3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.756 1.063 -3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.573 2.060 -2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.581 0.889 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.352 -1.259 -3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.147 -1.651 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.865 -2.061 -3.082 1.00 0.00 H new ATOM 212 N ILE A 15 4.478 -1.486 0.353 1.00 0.00 N ATOM 213 CA ILE A 15 5.897 -1.270 0.569 1.00 0.00 C ATOM 214 C ILE A 15 6.627 -1.452 -0.757 1.00 0.00 C ATOM 215 O ILE A 15 6.668 -2.562 -1.326 1.00 0.00 O ATOM 216 CB ILE A 15 6.654 -2.180 1.634 1.00 0.00 C ATOM 217 CG1 ILE A 15 6.179 -1.890 3.076 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.174 -2.020 1.557 1.00 0.00 C ATOM 219 CD1 ILE A 15 4.717 -2.180 3.339 1.00 0.00 C ATOM 0 H ILE A 15 4.203 -2.453 0.179 1.00 0.00 H new ATOM 0 HA ILE A 15 5.925 -0.264 0.988 1.00 0.00 H new ATOM 0 HB ILE A 15 6.403 -3.210 1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.781 -2.481 3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.372 -0.841 3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.645 -2.660 2.302 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.520 -2.304 0.563 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.441 -0.981 1.750 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.480 -1.945 4.377 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.101 -1.570 2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.516 -3.235 3.151 1.00 0.00 H new ATOM 483 N PRO A 33 2.879 4.114 1.719 1.00 0.00 N ATOM 484 CA PRO A 33 1.931 4.546 0.649 1.00 0.00 C ATOM 485 C PRO A 33 0.684 3.645 0.597 1.00 0.00 C ATOM 486 O PRO A 33 0.798 2.425 0.646 1.00 0.00 O ATOM 487 CB PRO A 33 2.803 4.386 -0.620 1.00 0.00 C ATOM 488 CG PRO A 33 4.155 3.927 -0.159 1.00 0.00 C ATOM 489 CD PRO A 33 4.254 4.283 1.275 1.00 0.00 C ATOM 0 HA PRO A 33 1.532 5.551 0.790 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.361 3.662 -1.304 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.878 5.330 -1.160 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.269 2.852 -0.301 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.945 4.410 -0.734 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.941 3.629 1.812 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.608 5.304 1.419 1.00 0.00 H new ATOM 497 N SER A 34 -0.492 4.227 0.534 1.00 0.00 N ATOM 498 CA SER A 34 -1.701 3.440 0.609 1.00 0.00 C ATOM 499 C SER A 34 -2.754 3.917 -0.370 1.00 0.00 C ATOM 500 O SER A 34 -2.727 5.062 -0.835 1.00 0.00 O ATOM 501 CB SER A 34 -2.282 3.460 2.024 1.00 0.00 C ATOM 502 OG SER A 34 -1.340 3.019 2.991 1.00 0.00 O ATOM 0 H SER A 34 -0.637 5.232 0.432 1.00 0.00 H new ATOM 0 HA SER A 34 -1.423 2.420 0.344 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.607 4.471 2.269 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.166 2.824 2.062 1.00 0.00 H new ATOM 0 HG SER A 34 -1.748 3.047 3.882 1.00 0.00 H new ATOM 508 N VAL A 35 -3.675 3.043 -0.661 1.00 0.00 N ATOM 509 CA VAL A 35 -4.770 3.323 -1.541 1.00 0.00 C ATOM 510 C VAL A 35 -5.916 2.463 -1.139 1.00 0.00 C ATOM 511 O VAL A 35 -5.708 1.400 -0.596 1.00 0.00 O ATOM 512 CB VAL A 35 -4.396 3.027 -3.045 1.00 0.00 C ATOM 513 CG1 VAL A 35 -4.034 1.578 -3.266 1.00 0.00 C ATOM 514 CG2 VAL A 35 -5.515 3.380 -3.987 1.00 0.00 C ATOM 0 H VAL A 35 -3.684 2.095 -0.284 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.025 4.380 -1.465 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.530 3.655 -3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.784 1.421 -4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.176 1.319 -2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.880 0.946 -2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.212 3.159 -5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.400 2.795 -3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.745 4.442 -3.897 1.00 0.00 H new ATOM 524 N SER A 36 -7.094 2.911 -1.366 1.00 0.00 N ATOM 525 CA SER A 36 -8.192 2.098 -1.187 1.00 0.00 C ATOM 526 C SER A 36 -8.491 1.544 -2.561 1.00 0.00 C ATOM 527 O SER A 36 -8.767 2.292 -3.503 1.00 0.00 O ATOM 528 CB SER A 36 -9.321 2.856 -0.624 1.00 0.00 C ATOM 529 OG SER A 36 -8.905 3.618 0.504 1.00 0.00 O ATOM 0 H SER A 36 -7.304 3.858 -1.682 1.00 0.00 H new ATOM 0 HA SER A 36 -8.009 1.295 -0.473 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.735 3.519 -1.384 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.116 2.170 -0.332 1.00 0.00 H new ATOM 0 HG SER A 36 -9.669 4.116 0.862 1.00 0.00 H new ATOM 535 N HIS A 37 -8.364 0.279 -2.698 1.00 0.00 N ATOM 536 CA HIS A 37 -8.472 -0.347 -3.933 1.00 0.00 C ATOM 537 C HIS A 37 -9.678 -1.270 -3.955 1.00 0.00 C ATOM 538 O HIS A 37 -10.015 -1.883 -2.954 1.00 0.00 O ATOM 539 CB HIS A 37 -7.158 -1.088 -4.200 1.00 0.00 C ATOM 540 CG HIS A 37 -7.112 -1.837 -5.476 1.00 0.00 C ATOM 541 ND1 HIS A 37 -7.502 -3.072 -5.739 1.00 0.00 N flip ATOM 542 CD2 HIS A 37 -6.622 -1.329 -6.647 1.00 0.00 C flip ATOM 543 CE1 HIS A 37 -7.264 -3.310 -7.061 1.00 0.00 C flip ATOM 544 NE2 HIS A 37 -6.725 -2.233 -7.582 1.00 0.00 N flip ATOM 0 H HIS A 37 -8.177 -0.357 -1.923 1.00 0.00 H new ATOM 0 HA HIS A 37 -8.633 0.381 -4.729 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.342 -0.365 -4.190 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -6.977 -1.784 -3.381 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -7.908 -3.729 -5.073 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -6.215 -0.337 -6.777 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -7.482 -4.227 -7.588 1.00 0.00 H new ATOM 553 N ILE A 38 -10.320 -1.301 -5.083 1.00 0.00 N ATOM 554 CA ILE A 38 -11.511 -2.127 -5.378 1.00 0.00 C ATOM 555 C ILE A 38 -10.946 -3.558 -5.671 1.00 0.00 C ATOM 556 O ILE A 38 -10.215 -3.775 -6.654 1.00 0.00 O ATOM 557 CB ILE A 38 -12.089 -1.567 -6.633 1.00 0.00 C ATOM 558 CG1 ILE A 38 -12.665 -0.139 -6.393 1.00 0.00 C ATOM 559 CG2 ILE A 38 -13.180 -2.532 -7.079 1.00 0.00 C ATOM 560 CD1 ILE A 38 -13.844 -0.063 -5.403 1.00 0.00 C ATOM 0 H ILE A 38 -10.034 -0.732 -5.880 1.00 0.00 H new ATOM 0 HA ILE A 38 -12.257 -2.147 -4.583 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.324 -1.465 -7.403 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.863 0.502 -6.027 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.989 0.270 -7.350 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -13.637 -2.165 -7.998 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.745 -3.516 -7.257 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.940 -2.607 -6.301 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -14.171 0.972 -5.306 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.669 -0.671 -5.773 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.526 -0.436 -4.429 1.00 0.00 H new ATOM 572 N PHE A 39 -11.206 -4.451 -4.806 1.00 0.00 N ATOM 573 CA PHE A 39 -10.803 -5.805 -4.948 1.00 0.00 C ATOM 574 C PHE A 39 -12.005 -6.650 -5.197 1.00 0.00 C ATOM 575 O PHE A 39 -13.060 -6.434 -4.611 1.00 0.00 O ATOM 576 CB PHE A 39 -10.092 -6.315 -3.734 1.00 0.00 C ATOM 577 CG PHE A 39 -8.715 -5.807 -3.509 1.00 0.00 C ATOM 578 CD1 PHE A 39 -7.631 -6.469 -4.046 1.00 0.00 C ATOM 579 CD2 PHE A 39 -8.504 -4.704 -2.729 1.00 0.00 C ATOM 580 CE1 PHE A 39 -6.349 -6.036 -3.802 1.00 0.00 C ATOM 581 CE2 PHE A 39 -7.231 -4.255 -2.483 1.00 0.00 C ATOM 582 CZ PHE A 39 -6.146 -4.928 -3.018 1.00 0.00 C ATOM 0 H PHE A 39 -11.722 -4.264 -3.947 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.109 -5.857 -5.787 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.693 -6.070 -2.859 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.048 -7.402 -3.796 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.791 -7.339 -4.666 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.347 -4.181 -2.302 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.507 -6.564 -4.225 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.076 -3.378 -1.873 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.142 -4.582 -2.819 1.00 0.00 H new ATOM 592 N ASP A 40 -11.836 -7.594 -6.043 1.00 0.00 N ATOM 593 CA ASP A 40 -12.869 -8.491 -6.423 1.00 0.00 C ATOM 594 C ASP A 40 -12.281 -9.834 -6.689 1.00 0.00 C ATOM 595 O ASP A 40 -11.073 -9.965 -6.941 1.00 0.00 O ATOM 596 CB ASP A 40 -13.612 -7.999 -7.665 1.00 0.00 C ATOM 597 CG ASP A 40 -12.731 -7.808 -8.885 1.00 0.00 C ATOM 598 OD1 ASP A 40 -11.978 -6.822 -8.958 1.00 0.00 O ATOM 599 OD2 ASP A 40 -12.773 -8.658 -9.781 1.00 0.00 O ATOM 0 H ASP A 40 -10.946 -7.773 -6.508 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.588 -8.550 -5.606 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.400 -8.711 -7.909 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.099 -7.052 -7.431 1.00 0.00 H new ATOM 604 N GLY A 41 -13.117 -10.804 -6.652 1.00 0.00 N ATOM 605 CA GLY A 41 -12.697 -12.179 -6.852 1.00 0.00 C ATOM 606 C GLY A 41 -12.919 -12.630 -8.267 1.00 0.00 C ATOM 607 O GLY A 41 -13.012 -13.829 -8.557 1.00 0.00 O ATOM 0 H GLY A 41 -14.116 -10.689 -6.484 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.641 -12.277 -6.601 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.248 -12.830 -6.173 1.00 0.00 H new ATOM 611 N GLU A 42 -13.035 -11.681 -9.141 1.00 0.00 N ATOM 612 CA GLU A 42 -13.295 -11.925 -10.500 1.00 0.00 C ATOM 613 C GLU A 42 -12.058 -11.588 -11.333 1.00 0.00 C ATOM 614 O GLU A 42 -11.850 -12.116 -12.423 1.00 0.00 O ATOM 615 CB GLU A 42 -14.512 -11.123 -10.855 1.00 0.00 C ATOM 616 CG GLU A 42 -15.695 -11.472 -9.951 1.00 0.00 C ATOM 617 CD GLU A 42 -16.873 -10.545 -10.064 1.00 0.00 C ATOM 618 OE1 GLU A 42 -16.906 -9.516 -9.342 1.00 0.00 O ATOM 619 OE2 GLU A 42 -17.808 -10.843 -10.844 1.00 0.00 O ATOM 0 H GLU A 42 -12.947 -10.692 -8.909 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.502 -12.974 -10.710 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.287 -10.060 -10.768 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.780 -11.308 -11.895 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -16.025 -12.485 -10.183 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.353 -11.477 -8.916 1.00 0.00 H new ATOM 626 N THR A 43 -11.249 -10.713 -10.795 1.00 0.00 N ATOM 627 CA THR A 43 -10.008 -10.349 -11.335 1.00 0.00 C ATOM 628 C THR A 43 -8.885 -11.035 -10.543 1.00 0.00 C ATOM 629 O THR A 43 -8.954 -11.110 -9.293 1.00 0.00 O ATOM 630 CB THR A 43 -9.866 -8.861 -11.172 1.00 0.00 C ATOM 631 OG1 THR A 43 -10.959 -8.173 -11.818 1.00 0.00 O ATOM 632 CG2 THR A 43 -8.529 -8.359 -11.654 1.00 0.00 C ATOM 0 H THR A 43 -11.468 -10.224 -9.927 1.00 0.00 H new ATOM 0 HA THR A 43 -9.946 -10.643 -12.383 1.00 0.00 H new ATOM 0 HB THR A 43 -9.909 -8.642 -10.105 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.756 -8.218 -11.249 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.474 -7.279 -11.516 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.733 -8.839 -11.084 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.411 -8.596 -12.711 1.00 0.00 H new ATOM 640 N ALA A 44 -7.892 -11.554 -11.250 1.00 0.00 N ATOM 641 CA ALA A 44 -6.717 -12.143 -10.641 1.00 0.00 C ATOM 642 C ALA A 44 -6.007 -11.163 -9.733 1.00 0.00 C ATOM 643 O ALA A 44 -6.061 -9.929 -9.928 1.00 0.00 O ATOM 644 CB ALA A 44 -5.741 -12.631 -11.692 1.00 0.00 C ATOM 0 H ALA A 44 -7.883 -11.577 -12.270 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.066 -12.988 -10.048 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.870 -13.068 -11.204 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.224 -13.384 -12.315 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.427 -11.793 -12.314 1.00 0.00 H new ATOM 650 N VAL A 45 -5.335 -11.718 -8.764 1.00 0.00 N ATOM 651 CA VAL A 45 -4.573 -10.984 -7.782 1.00 0.00 C ATOM 652 C VAL A 45 -3.558 -10.104 -8.465 1.00 0.00 C ATOM 653 O VAL A 45 -3.540 -8.908 -8.258 1.00 0.00 O ATOM 654 CB VAL A 45 -3.774 -11.917 -6.877 1.00 0.00 C ATOM 655 CG1 VAL A 45 -2.936 -11.097 -5.923 1.00 0.00 C ATOM 656 CG2 VAL A 45 -4.746 -12.769 -6.101 1.00 0.00 C ATOM 0 H VAL A 45 -5.299 -12.728 -8.628 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.293 -10.408 -7.201 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.114 -12.550 -7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.365 -11.763 -5.276 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.251 -10.466 -6.490 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.587 -10.470 -5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.195 -13.445 -5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.392 -12.129 -5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.354 -13.350 -6.794 1.00 0.00 H new ATOM 666 N LYS A 46 -2.745 -10.727 -9.296 1.00 0.00 N ATOM 667 CA LYS A 46 -1.636 -10.049 -9.996 1.00 0.00 C ATOM 668 C LYS A 46 -2.139 -8.870 -10.825 1.00 0.00 C ATOM 669 O LYS A 46 -1.452 -7.895 -11.007 1.00 0.00 O ATOM 670 CB LYS A 46 -0.863 -11.026 -10.883 1.00 0.00 C ATOM 671 CG LYS A 46 -1.725 -11.660 -11.955 1.00 0.00 C ATOM 672 CD LYS A 46 -0.951 -12.613 -12.821 1.00 0.00 C ATOM 673 CE LYS A 46 -1.854 -13.223 -13.886 1.00 0.00 C ATOM 674 NZ LYS A 46 -2.417 -12.197 -14.799 1.00 0.00 N ATOM 0 H LYS A 46 -2.823 -11.720 -9.515 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.959 -9.666 -9.232 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.033 -10.501 -11.355 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.431 -11.810 -10.261 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.553 -12.191 -11.485 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.160 -10.878 -12.578 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.121 -12.089 -13.296 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.519 -13.403 -12.206 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.288 -13.952 -14.466 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.668 -13.763 -13.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.559 -12.612 -15.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.329 -11.864 -14.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.758 -11.395 -14.869 1.00 0.00 H new ATOM 688 N ASP A 47 -3.340 -8.969 -11.304 1.00 0.00 N ATOM 689 CA ASP A 47 -3.926 -7.919 -12.090 1.00 0.00 C ATOM 690 C ASP A 47 -4.341 -6.779 -11.203 1.00 0.00 C ATOM 691 O ASP A 47 -4.192 -5.616 -11.569 1.00 0.00 O ATOM 692 CB ASP A 47 -5.062 -8.437 -12.926 1.00 0.00 C ATOM 693 CG ASP A 47 -4.609 -9.330 -14.048 1.00 0.00 C ATOM 694 OD1 ASP A 47 -4.258 -10.508 -13.800 1.00 0.00 O ATOM 695 OD2 ASP A 47 -4.564 -8.873 -15.207 1.00 0.00 O ATOM 0 H ASP A 47 -3.945 -9.778 -11.163 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.178 -7.539 -12.786 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.753 -8.987 -12.288 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.614 -7.594 -13.341 1.00 0.00 H new ATOM 700 N HIS A 48 -4.837 -7.116 -10.024 1.00 0.00 N ATOM 701 CA HIS A 48 -5.107 -6.124 -8.990 1.00 0.00 C ATOM 702 C HIS A 48 -3.773 -5.451 -8.628 1.00 0.00 C ATOM 703 O HIS A 48 -3.709 -4.243 -8.424 1.00 0.00 O ATOM 704 CB HIS A 48 -5.708 -6.754 -7.721 1.00 0.00 C ATOM 705 CG HIS A 48 -7.063 -7.370 -7.818 1.00 0.00 C ATOM 706 ND1 HIS A 48 -7.482 -8.621 -7.517 1.00 0.00 N flip ATOM 707 CD2 HIS A 48 -8.183 -6.689 -8.210 1.00 0.00 C flip ATOM 708 CE1 HIS A 48 -8.822 -8.649 -7.727 1.00 0.00 C flip ATOM 709 NE2 HIS A 48 -9.217 -7.471 -8.141 1.00 0.00 N flip ATOM 0 H HIS A 48 -5.063 -8.074 -9.756 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.834 -5.409 -9.375 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.017 -7.521 -7.370 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.746 -5.983 -6.952 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.204 -5.657 -8.529 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.461 -9.506 -7.577 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -10.176 -7.211 -8.371 1.00 0.00 H new ATOM 718 N ILE A 49 -2.743 -6.260 -8.584 1.00 0.00 N ATOM 719 CA ILE A 49 -1.406 -5.840 -8.268 1.00 0.00 C ATOM 720 C ILE A 49 -0.820 -4.941 -9.345 1.00 0.00 C ATOM 721 O ILE A 49 -0.248 -3.924 -9.006 1.00 0.00 O ATOM 722 CB ILE A 49 -0.511 -7.032 -7.899 1.00 0.00 C ATOM 723 CG1 ILE A 49 -1.052 -7.673 -6.624 1.00 0.00 C ATOM 724 CG2 ILE A 49 0.941 -6.581 -7.701 1.00 0.00 C ATOM 725 CD1 ILE A 49 -0.190 -8.765 -6.091 1.00 0.00 C ATOM 0 H ILE A 49 -2.818 -7.259 -8.774 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.455 -5.219 -7.373 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.522 -7.760 -8.710 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.163 -6.904 -5.860 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.047 -8.071 -6.822 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.557 -7.442 -7.440 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.313 -6.135 -8.624 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.987 -5.845 -6.898 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.638 -9.173 -5.185 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.099 -9.554 -6.837 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.799 -8.368 -5.860 1.00 0.00 H new ATOM 737 N LYS A 50 -1.000 -5.268 -10.638 1.00 0.00 N ATOM 738 CA LYS A 50 -0.554 -4.362 -11.698 1.00 0.00 C ATOM 739 C LYS A 50 -1.203 -2.985 -11.549 1.00 0.00 C ATOM 740 O LYS A 50 -0.560 -1.959 -11.795 1.00 0.00 O ATOM 741 CB LYS A 50 -0.792 -4.920 -13.113 1.00 0.00 C ATOM 742 CG LYS A 50 0.039 -6.127 -13.481 1.00 0.00 C ATOM 743 CD LYS A 50 -0.056 -6.428 -14.972 1.00 0.00 C ATOM 744 CE LYS A 50 0.819 -7.613 -15.360 1.00 0.00 C ATOM 745 NZ LYS A 50 0.759 -7.899 -16.814 1.00 0.00 N ATOM 0 H LYS A 50 -1.439 -6.129 -10.963 1.00 0.00 H new ATOM 0 HA LYS A 50 0.525 -4.263 -11.579 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.846 -5.182 -13.210 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.593 -4.129 -13.836 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.080 -5.952 -13.208 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.299 -6.992 -12.910 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.092 -6.638 -15.236 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.247 -5.549 -15.542 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.851 -7.410 -15.073 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.501 -8.495 -14.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.369 -8.712 -17.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.221 -8.118 -17.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.087 -7.067 -17.345 1.00 0.00 H new ATOM 759 N VAL A 51 -2.454 -2.969 -11.095 1.00 0.00 N ATOM 760 CA VAL A 51 -3.169 -1.732 -10.849 1.00 0.00 C ATOM 761 C VAL A 51 -2.571 -1.007 -9.669 1.00 0.00 C ATOM 762 O VAL A 51 -2.232 0.173 -9.780 1.00 0.00 O ATOM 763 CB VAL A 51 -4.667 -1.922 -10.595 1.00 0.00 C ATOM 764 CG1 VAL A 51 -5.321 -0.594 -10.316 1.00 0.00 C ATOM 765 CG2 VAL A 51 -5.342 -2.630 -11.730 1.00 0.00 C ATOM 0 H VAL A 51 -2.993 -3.811 -10.890 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.065 -1.148 -11.764 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.779 -2.557 -9.716 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.386 -0.743 -10.137 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.865 -0.142 -9.435 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.186 0.065 -11.173 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.403 -2.744 -11.508 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.223 -2.048 -12.644 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.892 -3.614 -11.864 1.00 0.00 H new ATOM 775 N LEU A 52 -2.465 -1.689 -8.546 1.00 0.00 N ATOM 776 CA LEU A 52 -1.863 -1.127 -7.356 1.00 0.00 C ATOM 777 C LEU A 52 -0.495 -0.580 -7.652 1.00 0.00 C ATOM 778 O LEU A 52 -0.231 0.568 -7.344 1.00 0.00 O ATOM 779 CB LEU A 52 -1.817 -2.186 -6.270 1.00 0.00 C ATOM 780 CG LEU A 52 -3.176 -2.601 -5.788 1.00 0.00 C ATOM 781 CD1 LEU A 52 -3.119 -3.971 -5.216 1.00 0.00 C ATOM 782 CD2 LEU A 52 -3.680 -1.623 -4.770 1.00 0.00 C ATOM 0 H LEU A 52 -2.794 -2.648 -8.434 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.470 -0.292 -7.005 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.290 -3.062 -6.648 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.240 -1.807 -5.427 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.866 -2.609 -6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.111 -4.262 -4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.782 -4.671 -5.981 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.422 -3.987 -4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.667 -1.932 -4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.994 -1.592 -3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.746 -0.632 -5.219 1.00 0.00 H new ATOM 794 N LEU A 53 0.338 -1.367 -8.322 1.00 0.00 N ATOM 795 CA LEU A 53 1.657 -0.935 -8.685 1.00 0.00 C ATOM 796 C LEU A 53 1.579 0.322 -9.519 1.00 0.00 C ATOM 797 O LEU A 53 2.234 1.284 -9.219 1.00 0.00 O ATOM 798 CB LEU A 53 2.394 -2.036 -9.417 1.00 0.00 C ATOM 799 CG LEU A 53 2.636 -3.298 -8.625 1.00 0.00 C ATOM 800 CD1 LEU A 53 3.381 -4.269 -9.467 1.00 0.00 C ATOM 801 CD2 LEU A 53 3.386 -3.009 -7.344 1.00 0.00 C ATOM 0 H LEU A 53 0.108 -2.315 -8.622 1.00 0.00 H new ATOM 0 HA LEU A 53 2.218 -0.708 -7.778 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.829 -2.293 -10.313 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.357 -1.646 -9.748 1.00 0.00 H new ATOM 0 HG LEU A 53 1.674 -3.727 -8.344 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.558 -5.182 -8.899 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.796 -4.503 -10.357 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.336 -3.835 -9.764 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.544 -3.939 -6.797 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.350 -2.559 -7.580 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.805 -2.321 -6.730 1.00 0.00 H new ATOM 813 N THR A 54 0.719 0.322 -10.517 1.00 0.00 N ATOM 814 CA THR A 54 0.522 1.444 -11.331 1.00 0.00 C ATOM 815 C THR A 54 0.067 2.702 -10.580 1.00 0.00 C ATOM 816 O THR A 54 0.580 3.803 -10.818 1.00 0.00 O ATOM 817 CB THR A 54 -0.366 1.083 -12.535 1.00 0.00 C ATOM 818 OG1 THR A 54 0.282 0.161 -13.414 1.00 0.00 O ATOM 819 CG2 THR A 54 -0.901 2.256 -13.268 1.00 0.00 C ATOM 0 H THR A 54 0.142 -0.481 -10.767 1.00 0.00 H new ATOM 0 HA THR A 54 1.500 1.732 -11.716 1.00 0.00 H new ATOM 0 HB THR A 54 -1.238 0.587 -12.109 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.063 -0.756 -13.146 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.516 1.915 -14.101 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.507 2.861 -12.594 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.074 2.855 -13.649 1.00 0.00 H new ATOM 827 N HIS A 55 -0.820 2.532 -9.637 1.00 0.00 N ATOM 828 CA HIS A 55 -1.275 3.624 -8.818 1.00 0.00 C ATOM 829 C HIS A 55 -0.197 4.099 -7.834 1.00 0.00 C ATOM 830 O HIS A 55 -0.071 5.291 -7.553 1.00 0.00 O ATOM 831 CB HIS A 55 -2.617 3.260 -8.150 1.00 0.00 C ATOM 832 CG HIS A 55 -3.129 4.318 -7.218 1.00 0.00 C ATOM 833 ND1 HIS A 55 -3.956 5.333 -7.608 1.00 0.00 N ATOM 834 CD2 HIS A 55 -2.885 4.518 -5.907 1.00 0.00 C ATOM 835 CE1 HIS A 55 -4.196 6.120 -6.586 1.00 0.00 C ATOM 836 NE2 HIS A 55 -3.556 5.649 -5.539 1.00 0.00 N ATOM 0 H HIS A 55 -1.248 1.633 -9.414 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.462 4.489 -9.455 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.362 3.079 -8.925 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.498 2.328 -7.598 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.273 3.899 -5.267 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -4.815 7.005 -6.602 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.560 6.060 -4.606 1.00 0.00 H new ATOM 845 N PHE A 56 0.589 3.175 -7.342 1.00 0.00 N ATOM 846 CA PHE A 56 1.706 3.495 -6.481 1.00 0.00 C ATOM 847 C PHE A 56 2.896 3.977 -7.280 1.00 0.00 C ATOM 848 O PHE A 56 3.939 4.327 -6.725 1.00 0.00 O ATOM 849 CB PHE A 56 2.067 2.318 -5.617 1.00 0.00 C ATOM 850 CG PHE A 56 1.056 2.051 -4.564 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.790 3.014 -3.628 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.376 0.851 -4.506 1.00 0.00 C ATOM 853 CE1 PHE A 56 -0.131 2.802 -2.641 1.00 0.00 C ATOM 854 CE2 PHE A 56 -0.554 0.623 -3.517 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.804 1.607 -2.578 1.00 0.00 C ATOM 0 H PHE A 56 0.475 2.178 -7.526 1.00 0.00 H new ATOM 0 HA PHE A 56 1.403 4.312 -5.826 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.176 1.433 -6.243 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.035 2.499 -5.149 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.316 3.956 -3.670 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.575 0.086 -5.242 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.329 3.573 -1.912 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.084 -0.317 -3.475 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.528 1.435 -1.795 1.00 0.00 H new ATOM 865 N LYS A 57 2.713 3.972 -8.586 1.00 0.00 N ATOM 866 CA LYS A 57 3.666 4.488 -9.561 1.00 0.00 C ATOM 867 C LYS A 57 4.899 3.593 -9.655 1.00 0.00 C ATOM 868 O LYS A 57 6.021 4.054 -9.869 1.00 0.00 O ATOM 869 CB LYS A 57 3.998 5.950 -9.233 1.00 0.00 C ATOM 870 CG LYS A 57 2.797 6.888 -9.409 1.00 0.00 C ATOM 871 CD LYS A 57 3.031 8.258 -8.788 1.00 0.00 C ATOM 872 CE LYS A 57 2.970 8.206 -7.261 1.00 0.00 C ATOM 873 NZ LYS A 57 1.608 7.869 -6.774 1.00 0.00 N ATOM 0 H LYS A 57 1.868 3.596 -9.017 1.00 0.00 H new ATOM 0 HA LYS A 57 3.218 4.473 -10.554 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.356 6.015 -8.205 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.812 6.286 -9.875 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.585 7.006 -10.472 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.916 6.433 -8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.004 8.638 -9.100 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.282 8.958 -9.158 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.681 7.466 -6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.274 9.170 -6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.538 8.088 -5.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.904 8.427 -7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.427 6.856 -6.922 1.00 0.00 H new ATOM 887 N ILE A 58 4.654 2.317 -9.532 1.00 0.00 N ATOM 888 CA ILE A 58 5.620 1.287 -9.622 1.00 0.00 C ATOM 889 C ILE A 58 5.410 0.569 -10.938 1.00 0.00 C ATOM 890 O ILE A 58 4.256 0.388 -11.352 1.00 0.00 O ATOM 891 CB ILE A 58 5.372 0.274 -8.500 1.00 0.00 C ATOM 892 CG1 ILE A 58 5.416 0.997 -7.182 1.00 0.00 C ATOM 893 CG2 ILE A 58 6.404 -0.870 -8.536 1.00 0.00 C ATOM 894 CD1 ILE A 58 5.019 0.144 -6.066 1.00 0.00 C ATOM 0 H ILE A 58 3.715 1.961 -9.356 1.00 0.00 H new ATOM 0 HA ILE A 58 6.625 1.703 -9.547 1.00 0.00 H new ATOM 0 HB ILE A 58 4.391 -0.181 -8.637 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.425 1.371 -7.009 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.758 1.865 -7.225 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.199 -1.571 -7.727 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.338 -1.390 -9.492 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.407 -0.460 -8.415 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.068 0.713 -5.138 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.000 -0.209 -6.222 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.693 -0.710 -6.003 1.00 0.00 H new ATOM 906 N PRO A 59 6.470 0.218 -11.661 1.00 0.00 N ATOM 907 CA PRO A 59 6.348 -0.620 -12.843 1.00 0.00 C ATOM 908 C PRO A 59 5.679 -1.927 -12.501 1.00 0.00 C ATOM 909 O PRO A 59 6.035 -2.602 -11.515 1.00 0.00 O ATOM 910 CB PRO A 59 7.794 -0.866 -13.254 1.00 0.00 C ATOM 911 CG PRO A 59 8.514 0.311 -12.745 1.00 0.00 C ATOM 912 CD PRO A 59 7.858 0.647 -11.439 1.00 0.00 C ATOM 0 HA PRO A 59 5.747 -0.159 -13.627 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.181 -1.788 -12.821 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.892 -0.957 -14.336 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.573 0.094 -12.608 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.447 1.145 -13.444 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.318 0.117 -10.605 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.923 1.712 -11.214 1.00 0.00 H new ATOM 920 N VAL A 60 4.725 -2.289 -13.318 1.00 0.00 N ATOM 921 CA VAL A 60 3.969 -3.508 -13.173 1.00 0.00 C ATOM 922 C VAL A 60 4.825 -4.732 -13.295 1.00 0.00 C ATOM 923 O VAL A 60 4.393 -5.805 -12.984 1.00 0.00 O ATOM 924 CB VAL A 60 2.855 -3.591 -14.231 1.00 0.00 C ATOM 925 CG1 VAL A 60 1.850 -2.503 -13.999 1.00 0.00 C ATOM 926 CG2 VAL A 60 3.406 -3.519 -15.633 1.00 0.00 C ATOM 0 H VAL A 60 4.444 -1.731 -14.124 1.00 0.00 H new ATOM 0 HA VAL A 60 3.541 -3.479 -12.171 1.00 0.00 H new ATOM 0 HB VAL A 60 2.365 -4.559 -14.129 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.064 -2.567 -14.751 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.413 -2.617 -13.007 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.341 -1.533 -14.070 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.587 -3.581 -16.349 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.935 -2.576 -15.768 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.094 -4.348 -15.796 1.00 0.00 H new ATOM 936 N ASP A 61 6.061 -4.556 -13.710 1.00 0.00 N ATOM 937 CA ASP A 61 6.985 -5.674 -13.874 1.00 0.00 C ATOM 938 C ASP A 61 7.320 -6.286 -12.509 1.00 0.00 C ATOM 939 O ASP A 61 7.701 -7.457 -12.411 1.00 0.00 O ATOM 940 CB ASP A 61 8.233 -5.235 -14.629 1.00 0.00 C ATOM 941 CG ASP A 61 9.275 -6.319 -14.798 1.00 0.00 C ATOM 942 OD1 ASP A 61 10.156 -6.471 -13.918 1.00 0.00 O ATOM 943 OD2 ASP A 61 9.267 -7.002 -15.842 1.00 0.00 O ATOM 0 H ASP A 61 6.458 -3.646 -13.943 1.00 0.00 H new ATOM 0 HA ASP A 61 6.506 -6.448 -14.474 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.939 -4.874 -15.615 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.684 -4.393 -14.103 1.00 0.00 H new ATOM 948 N LYS A 62 7.092 -5.520 -11.440 1.00 0.00 N ATOM 949 CA LYS A 62 7.341 -6.010 -10.115 1.00 0.00 C ATOM 950 C LYS A 62 6.197 -6.891 -9.612 1.00 0.00 C ATOM 951 O LYS A 62 6.314 -7.476 -8.568 1.00 0.00 O ATOM 952 CB LYS A 62 7.608 -4.899 -9.097 1.00 0.00 C ATOM 953 CG LYS A 62 8.973 -4.249 -9.134 1.00 0.00 C ATOM 954 CD LYS A 62 9.073 -3.229 -10.211 1.00 0.00 C ATOM 955 CE LYS A 62 10.436 -2.551 -10.213 1.00 0.00 C ATOM 956 NZ LYS A 62 11.562 -3.520 -10.332 1.00 0.00 N ATOM 0 H LYS A 62 6.737 -4.565 -11.482 1.00 0.00 H new ATOM 0 HA LYS A 62 8.249 -6.607 -10.201 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.858 -4.121 -9.240 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.455 -5.310 -8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.178 -3.781 -8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.735 -5.013 -9.286 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.899 -3.701 -11.178 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.293 -2.480 -10.077 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.483 -1.843 -11.040 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.552 -1.976 -9.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.298 -3.123 -10.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.963 -3.704 -9.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.212 -4.411 -10.739 1.00 0.00 H new ATOM 970 N VAL A 63 5.087 -6.947 -10.367 1.00 0.00 N ATOM 971 CA VAL A 63 3.874 -7.782 -10.075 1.00 0.00 C ATOM 972 C VAL A 63 4.294 -9.219 -9.732 1.00 0.00 C ATOM 973 O VAL A 63 3.700 -9.879 -8.887 1.00 0.00 O ATOM 974 CB VAL A 63 3.006 -7.754 -11.372 1.00 0.00 C ATOM 975 CG1 VAL A 63 3.394 -8.731 -12.462 1.00 0.00 C ATOM 976 CG2 VAL A 63 1.580 -7.938 -11.006 1.00 0.00 C ATOM 0 H VAL A 63 4.990 -6.403 -11.225 1.00 0.00 H new ATOM 0 HA VAL A 63 3.315 -7.397 -9.222 1.00 0.00 H new ATOM 0 HB VAL A 63 3.191 -6.776 -11.817 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.719 -8.617 -13.310 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.417 -8.531 -12.782 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.326 -9.749 -12.079 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.968 -7.919 -11.908 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.455 -8.896 -10.502 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.269 -7.134 -10.339 1.00 0.00 H new ATOM 986 N SER A 64 5.368 -9.632 -10.388 1.00 0.00 N ATOM 987 CA SER A 64 6.034 -10.893 -10.216 1.00 0.00 C ATOM 988 C SER A 64 6.405 -11.092 -8.736 1.00 0.00 C ATOM 989 O SER A 64 6.138 -12.127 -8.124 1.00 0.00 O ATOM 990 CB SER A 64 7.354 -10.763 -10.968 1.00 0.00 C ATOM 991 OG SER A 64 7.115 -10.278 -12.299 1.00 0.00 O ATOM 0 H SER A 64 5.817 -9.052 -11.096 1.00 0.00 H new ATOM 0 HA SER A 64 5.402 -11.712 -10.559 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.019 -10.081 -10.437 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.856 -11.730 -11.009 1.00 0.00 H new ATOM 0 HG SER A 64 7.327 -9.322 -12.342 1.00 0.00 H new ATOM 997 N SER A 65 6.995 -10.060 -8.190 1.00 0.00 N ATOM 998 CA SER A 65 7.522 -10.039 -6.878 1.00 0.00 C ATOM 999 C SER A 65 6.595 -9.349 -5.901 1.00 0.00 C ATOM 1000 O SER A 65 7.000 -9.014 -4.813 1.00 0.00 O ATOM 1001 CB SER A 65 8.860 -9.327 -6.895 1.00 0.00 C ATOM 1002 OG SER A 65 9.732 -9.944 -7.835 1.00 0.00 O ATOM 0 H SER A 65 7.120 -9.176 -8.684 1.00 0.00 H new ATOM 0 HA SER A 65 7.638 -11.071 -6.546 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.719 -8.278 -7.153 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.307 -9.353 -5.901 1.00 0.00 H new ATOM 0 HG SER A 65 10.593 -9.475 -7.839 1.00 0.00 H new ATOM 1008 N TYR A 66 5.375 -9.134 -6.271 1.00 0.00 N ATOM 1009 CA TYR A 66 4.448 -8.523 -5.373 1.00 0.00 C ATOM 1010 C TYR A 66 3.384 -9.459 -4.952 1.00 0.00 C ATOM 1011 O TYR A 66 2.868 -10.246 -5.750 1.00 0.00 O ATOM 1012 CB TYR A 66 3.883 -7.225 -5.884 1.00 0.00 C ATOM 1013 CG TYR A 66 4.711 -6.032 -5.513 1.00 0.00 C ATOM 1014 CD1 TYR A 66 4.504 -5.412 -4.313 1.00 0.00 C ATOM 1015 CD2 TYR A 66 5.688 -5.534 -6.340 1.00 0.00 C ATOM 1016 CE1 TYR A 66 5.227 -4.332 -3.931 1.00 0.00 C ATOM 1017 CE2 TYR A 66 6.439 -4.432 -5.973 1.00 0.00 C ATOM 1018 CZ TYR A 66 6.188 -3.833 -4.753 1.00 0.00 C ATOM 1019 OH TYR A 66 6.917 -2.755 -4.338 1.00 0.00 O ATOM 0 H TYR A 66 4.996 -9.372 -7.188 1.00 0.00 H new ATOM 0 HA TYR A 66 5.027 -8.265 -4.486 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.798 -7.276 -6.969 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.875 -7.096 -5.491 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.742 -5.794 -3.650 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.873 -6.010 -7.292 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.040 -3.868 -2.974 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.207 -4.047 -6.627 1.00 0.00 H new ATOM 0 HH TYR A 66 6.812 -2.642 -3.370 1.00 0.00 H new ATOM 1029 N ALA A 67 3.069 -9.379 -3.694 1.00 0.00 N ATOM 1030 CA ALA A 67 2.117 -10.216 -3.095 1.00 0.00 C ATOM 1031 C ALA A 67 1.441 -9.462 -1.982 1.00 0.00 C ATOM 1032 O ALA A 67 2.074 -8.641 -1.301 1.00 0.00 O ATOM 1033 CB ALA A 67 2.787 -11.466 -2.553 1.00 0.00 C ATOM 0 H ALA A 67 3.488 -8.706 -3.053 1.00 0.00 H new ATOM 0 HA ALA A 67 1.376 -10.519 -3.834 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.038 -12.109 -2.090 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.271 -12.002 -3.369 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.534 -11.186 -1.810 1.00 0.00 H new ATOM 1039 N LEU A 68 0.168 -9.686 -1.849 1.00 0.00 N ATOM 1040 CA LEU A 68 -0.596 -9.124 -0.795 1.00 0.00 C ATOM 1041 C LEU A 68 -0.307 -9.876 0.494 1.00 0.00 C ATOM 1042 O LEU A 68 0.160 -11.016 0.453 1.00 0.00 O ATOM 1043 CB LEU A 68 -2.079 -9.215 -1.151 1.00 0.00 C ATOM 1044 CG LEU A 68 -2.509 -8.451 -2.415 1.00 0.00 C ATOM 1045 CD1 LEU A 68 -3.947 -8.766 -2.744 1.00 0.00 C ATOM 1046 CD2 LEU A 68 -2.335 -6.939 -2.234 1.00 0.00 C ATOM 0 H LEU A 68 -0.370 -10.275 -2.484 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.330 -8.077 -0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.340 -10.266 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.660 -8.842 -0.308 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.870 -8.771 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.243 -8.221 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.054 -9.837 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.584 -8.469 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.647 -6.425 -3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.947 -6.600 -1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.288 -6.715 -2.032 1.00 0.00 H new ATOM 1058 N GLN A 69 -0.577 -9.264 1.601 1.00 0.00 N ATOM 1059 CA GLN A 69 -0.331 -9.858 2.901 1.00 0.00 C ATOM 1060 C GLN A 69 -1.447 -9.452 3.849 1.00 0.00 C ATOM 1061 O GLN A 69 -2.073 -8.384 3.672 1.00 0.00 O ATOM 1062 CB GLN A 69 1.029 -9.382 3.482 1.00 0.00 C ATOM 1063 CG GLN A 69 1.442 -10.098 4.771 1.00 0.00 C ATOM 1064 CD GLN A 69 2.589 -9.438 5.510 1.00 0.00 C ATOM 1065 OE1 GLN A 69 2.754 -8.225 5.489 1.00 0.00 O ATOM 1066 NE2 GLN A 69 3.403 -10.235 6.147 1.00 0.00 N ATOM 0 H GLN A 69 -0.979 -8.327 1.643 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.299 -10.942 2.789 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.805 -9.531 2.731 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.975 -8.311 3.675 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.580 -10.151 5.436 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.722 -11.123 4.530 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.237 -11.241 6.145 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.205 -9.851 6.647 1.00 0.00 H new ATOM 1075 N ASN A 70 -1.724 -10.312 4.801 1.00 0.00 N ATOM 1076 CA ASN A 70 -2.660 -10.048 5.860 1.00 0.00 C ATOM 1077 C ASN A 70 -1.951 -9.200 6.896 1.00 0.00 C ATOM 1078 O ASN A 70 -0.865 -9.566 7.357 1.00 0.00 O ATOM 1079 CB ASN A 70 -3.097 -11.346 6.541 1.00 0.00 C ATOM 1080 CG ASN A 70 -4.168 -11.111 7.604 1.00 0.00 C ATOM 1081 OD1 ASN A 70 -3.861 -10.780 8.750 1.00 0.00 O ATOM 1082 ND2 ASN A 70 -5.409 -11.320 7.259 1.00 0.00 N ATOM 0 H ASN A 70 -1.293 -11.235 4.859 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.537 -9.551 5.447 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.479 -12.037 5.790 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.231 -11.822 7.000 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.155 -11.210 7.946 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.633 -11.593 6.302 1.00 0.00 H new ATOM 1089 N PRO A 71 -2.542 -8.089 7.301 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.919 -7.159 8.241 1.00 0.00 C ATOM 1091 C PRO A 71 -1.754 -7.688 9.672 1.00 0.00 C ATOM 1092 O PRO A 71 -0.987 -7.117 10.444 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.858 -5.968 8.233 1.00 0.00 C ATOM 1094 CG PRO A 71 -4.174 -6.516 7.826 1.00 0.00 C ATOM 1095 CD PRO A 71 -3.869 -7.612 6.861 1.00 0.00 C ATOM 0 HA PRO A 71 -0.896 -6.946 7.931 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.912 -5.502 9.217 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.517 -5.202 7.536 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.725 -6.894 8.687 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.793 -5.747 7.364 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.616 -8.405 6.903 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.846 -7.249 5.833 1.00 0.00 H new ATOM 1103 N PHE A 72 -2.437 -8.759 10.038 1.00 0.00 N ATOM 1104 CA PHE A 72 -2.347 -9.218 11.393 1.00 0.00 C ATOM 1105 C PHE A 72 -1.589 -10.498 11.520 1.00 0.00 C ATOM 1106 O PHE A 72 -0.716 -10.633 12.374 1.00 0.00 O ATOM 1107 CB PHE A 72 -3.719 -9.384 12.019 1.00 0.00 C ATOM 1108 CG PHE A 72 -4.481 -8.103 12.104 1.00 0.00 C ATOM 1109 CD1 PHE A 72 -4.256 -7.217 13.140 1.00 0.00 C ATOM 1110 CD2 PHE A 72 -5.410 -7.772 11.133 1.00 0.00 C ATOM 1111 CE1 PHE A 72 -4.945 -6.028 13.208 1.00 0.00 C ATOM 1112 CE2 PHE A 72 -6.098 -6.585 11.196 1.00 0.00 C ATOM 1113 CZ PHE A 72 -5.866 -5.712 12.237 1.00 0.00 C ATOM 0 H PHE A 72 -3.042 -9.308 9.427 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.797 -8.444 11.929 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.293 -10.104 11.436 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.607 -9.801 13.020 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.532 -7.460 13.904 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.596 -8.455 10.317 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.763 -5.344 14.023 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.819 -6.336 10.432 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.408 -4.779 12.290 1.00 0.00 H new ATOM 1123 N THR A 73 -1.890 -11.419 10.663 1.00 0.00 N ATOM 1124 CA THR A 73 -1.335 -12.755 10.740 1.00 0.00 C ATOM 1125 C THR A 73 -0.033 -12.832 9.973 1.00 0.00 C ATOM 1126 O THR A 73 0.745 -13.770 10.146 1.00 0.00 O ATOM 1127 CB THR A 73 -2.308 -13.756 10.153 1.00 0.00 C ATOM 1128 OG1 THR A 73 -2.460 -13.473 8.752 1.00 0.00 O ATOM 1129 CG2 THR A 73 -3.663 -13.636 10.830 1.00 0.00 C ATOM 0 H THR A 73 -2.530 -11.277 9.881 1.00 0.00 H new ATOM 0 HA THR A 73 -1.152 -12.988 11.789 1.00 0.00 H new ATOM 0 HB THR A 73 -1.926 -14.765 10.305 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.086 -14.114 8.355 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.351 -14.362 10.397 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.555 -13.830 11.897 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.056 -12.630 10.682 1.00 0.00 H new ATOM 1137 N LEU A 74 0.169 -11.848 9.105 1.00 0.00 N ATOM 1138 CA LEU A 74 1.348 -11.714 8.279 1.00 0.00 C ATOM 1139 C LEU A 74 1.415 -12.763 7.176 1.00 0.00 C ATOM 1140 O LEU A 74 2.462 -12.936 6.533 1.00 0.00 O ATOM 1141 CB LEU A 74 2.633 -11.686 9.114 1.00 0.00 C ATOM 1142 CG LEU A 74 2.680 -10.643 10.203 1.00 0.00 C ATOM 1143 CD1 LEU A 74 4.085 -10.440 10.663 1.00 0.00 C ATOM 1144 CD2 LEU A 74 2.021 -9.336 9.790 1.00 0.00 C ATOM 0 H LEU A 74 -0.509 -11.101 8.957 1.00 0.00 H new ATOM 0 HA LEU A 74 1.263 -10.748 7.782 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.771 -12.667 9.569 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.477 -11.524 8.444 1.00 0.00 H new ATOM 0 HG LEU A 74 2.095 -11.016 11.044 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.105 -9.685 11.449 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.480 -11.379 11.052 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.698 -10.108 9.825 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.083 -8.622 10.611 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.532 -8.931 8.917 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.974 -9.517 9.546 1.00 0.00 H new ATOM 1156 N ALA A 75 0.288 -13.427 6.925 1.00 0.00 N ATOM 1157 CA ALA A 75 0.212 -14.413 5.876 1.00 0.00 C ATOM 1158 C ALA A 75 0.089 -13.736 4.541 1.00 0.00 C ATOM 1159 O ALA A 75 -0.653 -12.773 4.400 1.00 0.00 O ATOM 1160 CB ALA A 75 -0.985 -15.311 6.088 1.00 0.00 C ATOM 0 H ALA A 75 -0.581 -13.292 7.441 1.00 0.00 H new ATOM 0 HA ALA A 75 1.122 -15.012 5.899 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.031 -16.051 5.289 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.893 -15.819 7.048 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.895 -14.712 6.080 1.00 0.00 H new ATOM 1166 N TYR A 76 0.799 -14.225 3.574 1.00 0.00 N ATOM 1167 CA TYR A 76 0.766 -13.654 2.244 1.00 0.00 C ATOM 1168 C TYR A 76 -0.378 -14.207 1.430 1.00 0.00 C ATOM 1169 O TYR A 76 -1.114 -15.092 1.883 1.00 0.00 O ATOM 1170 CB TYR A 76 2.082 -13.897 1.503 1.00 0.00 C ATOM 1171 CG TYR A 76 3.166 -12.875 1.770 1.00 0.00 C ATOM 1172 CD1 TYR A 76 3.479 -12.456 3.051 1.00 0.00 C ATOM 1173 CD2 TYR A 76 3.875 -12.333 0.718 1.00 0.00 C ATOM 1174 CE1 TYR A 76 4.469 -11.529 3.270 1.00 0.00 C ATOM 1175 CE2 TYR A 76 4.875 -11.409 0.927 1.00 0.00 C ATOM 1176 CZ TYR A 76 5.169 -11.009 2.204 1.00 0.00 C ATOM 1177 OH TYR A 76 6.174 -10.098 2.419 1.00 0.00 O ATOM 0 H TYR A 76 1.419 -15.029 3.673 1.00 0.00 H new ATOM 0 HA TYR A 76 0.620 -12.581 2.367 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.458 -14.883 1.776 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.880 -13.918 0.432 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.937 -12.864 3.891 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.641 -12.640 -0.291 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.698 -11.209 4.276 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.423 -11.003 0.090 1.00 0.00 H new ATOM 0 HH TYR A 76 6.565 -9.834 1.560 1.00 0.00 H new ATOM 1187 N VAL A 77 -0.560 -13.668 0.261 1.00 0.00 N ATOM 1188 CA VAL A 77 -1.526 -14.150 -0.689 1.00 0.00 C ATOM 1189 C VAL A 77 -0.760 -14.614 -1.920 1.00 0.00 C ATOM 1190 O VAL A 77 -0.190 -13.801 -2.662 1.00 0.00 O ATOM 1191 CB VAL A 77 -2.527 -13.025 -1.078 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -3.522 -13.488 -2.136 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -3.262 -12.513 0.151 1.00 0.00 C ATOM 0 H VAL A 77 -0.030 -12.862 -0.069 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.103 -14.968 -0.257 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.945 -12.210 -1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.202 -12.671 -2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.984 -13.790 -3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.093 -14.334 -1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.957 -11.727 -0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.814 -13.332 0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.542 -12.113 0.865 1.00 0.00 H new ATOM 1203 N GLU A 78 -0.699 -15.905 -2.095 1.00 0.00 N ATOM 1204 CA GLU A 78 0.040 -16.514 -3.176 1.00 0.00 C ATOM 1205 C GLU A 78 -0.910 -17.089 -4.202 1.00 0.00 C ATOM 1206 O GLU A 78 -0.517 -17.826 -5.125 1.00 0.00 O ATOM 1207 CB GLU A 78 0.920 -17.573 -2.607 1.00 0.00 C ATOM 1208 CG GLU A 78 1.891 -17.024 -1.572 1.00 0.00 C ATOM 1209 CD GLU A 78 2.891 -18.024 -1.110 1.00 0.00 C ATOM 1210 OE1 GLU A 78 3.956 -18.126 -1.736 1.00 0.00 O ATOM 1211 OE2 GLU A 78 2.677 -18.678 -0.100 1.00 0.00 O ATOM 0 H GLU A 78 -1.166 -16.576 -1.485 1.00 0.00 H new ATOM 0 HA GLU A 78 0.653 -15.767 -3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.304 -18.347 -2.149 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.481 -18.047 -3.412 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.414 -16.167 -1.995 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.327 -16.661 -0.712 1.00 0.00 H new ATOM 1218 N ASP A 79 -2.150 -16.702 -4.041 1.00 0.00 N ATOM 1219 CA ASP A 79 -3.251 -17.094 -4.850 1.00 0.00 C ATOM 1220 C ASP A 79 -3.222 -16.385 -6.159 1.00 0.00 C ATOM 1221 O ASP A 79 -2.606 -15.324 -6.307 1.00 0.00 O ATOM 1222 CB ASP A 79 -4.577 -16.708 -4.152 1.00 0.00 C ATOM 1223 CG ASP A 79 -4.673 -17.253 -2.754 1.00 0.00 C ATOM 1224 OD1 ASP A 79 -4.146 -16.615 -1.828 1.00 0.00 O ATOM 1225 OD2 ASP A 79 -5.238 -18.348 -2.555 1.00 0.00 O ATOM 0 H ASP A 79 -2.423 -16.066 -3.292 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.183 -18.171 -5.002 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.665 -15.622 -4.122 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.415 -17.079 -4.741 1.00 0.00 H new ATOM 1230 N SER A 80 -3.865 -16.968 -7.096 1.00 0.00 N ATOM 1231 CA SER A 80 -4.019 -16.424 -8.382 1.00 0.00 C ATOM 1232 C SER A 80 -5.188 -15.468 -8.403 1.00 0.00 C ATOM 1233 O SER A 80 -5.126 -14.393 -8.992 1.00 0.00 O ATOM 1234 CB SER A 80 -4.245 -17.540 -9.326 1.00 0.00 C ATOM 1235 OG SER A 80 -3.176 -18.476 -9.259 1.00 0.00 O ATOM 0 H SER A 80 -4.316 -17.875 -6.980 1.00 0.00 H new ATOM 0 HA SER A 80 -3.126 -15.868 -8.670 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.186 -18.037 -9.091 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.334 -17.153 -10.341 1.00 0.00 H new ATOM 0 HG SER A 80 -3.343 -19.208 -9.888 1.00 0.00 H new ATOM 1241 N PHE A 81 -6.233 -15.853 -7.739 1.00 0.00 N ATOM 1242 CA PHE A 81 -7.429 -15.095 -7.641 1.00 0.00 C ATOM 1243 C PHE A 81 -7.837 -14.986 -6.190 1.00 0.00 C ATOM 1244 O PHE A 81 -7.543 -15.867 -5.382 1.00 0.00 O ATOM 1245 CB PHE A 81 -8.531 -15.757 -8.425 1.00 0.00 C ATOM 1246 CG PHE A 81 -8.445 -15.612 -9.913 1.00 0.00 C ATOM 1247 CD1 PHE A 81 -7.486 -16.293 -10.621 1.00 0.00 C ATOM 1248 CD2 PHE A 81 -9.321 -14.787 -10.596 1.00 0.00 C ATOM 1249 CE1 PHE A 81 -7.387 -16.164 -11.986 1.00 0.00 C ATOM 1250 CE2 PHE A 81 -9.232 -14.647 -11.967 1.00 0.00 C ATOM 1251 CZ PHE A 81 -8.262 -15.340 -12.662 1.00 0.00 C ATOM 0 H PHE A 81 -6.272 -16.738 -7.233 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.253 -14.100 -8.050 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.538 -16.819 -8.181 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.485 -15.348 -8.093 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.798 -16.940 -10.097 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -10.082 -14.247 -10.052 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.626 -16.706 -12.527 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.918 -13.999 -12.492 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.188 -15.237 -13.735 1.00 0.00 H new ATOM 1261 N LEU A 82 -8.522 -13.931 -5.882 1.00 0.00 N ATOM 1262 CA LEU A 82 -8.993 -13.668 -4.545 1.00 0.00 C ATOM 1263 C LEU A 82 -10.332 -14.294 -4.329 1.00 0.00 C ATOM 1264 O LEU A 82 -11.135 -14.425 -5.257 1.00 0.00 O ATOM 1265 CB LEU A 82 -9.111 -12.170 -4.326 1.00 0.00 C ATOM 1266 CG LEU A 82 -7.804 -11.493 -3.919 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -7.974 -9.994 -3.813 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -7.305 -12.077 -2.590 1.00 0.00 C ATOM 0 H LEU A 82 -8.778 -13.212 -6.558 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.278 -14.093 -3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.477 -11.708 -5.243 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.859 -11.984 -3.555 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.061 -11.686 -4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.027 -9.540 -3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.287 -9.594 -4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.731 -9.766 -3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.372 -11.590 -2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.053 -11.909 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.135 -13.148 -2.704 1.00 0.00 H new ATOM 1280 N THR A 83 -10.568 -14.681 -3.131 1.00 0.00 N ATOM 1281 CA THR A 83 -11.819 -15.204 -2.759 1.00 0.00 C ATOM 1282 C THR A 83 -12.614 -14.099 -2.074 1.00 0.00 C ATOM 1283 O THR A 83 -12.009 -13.165 -1.512 1.00 0.00 O ATOM 1284 CB THR A 83 -11.645 -16.395 -1.796 1.00 0.00 C ATOM 1285 OG1 THR A 83 -10.877 -15.980 -0.657 1.00 0.00 O ATOM 1286 CG2 THR A 83 -10.927 -17.537 -2.483 1.00 0.00 C ATOM 0 H THR A 83 -9.885 -14.641 -2.374 1.00 0.00 H new ATOM 0 HA THR A 83 -12.345 -15.559 -3.645 1.00 0.00 H new ATOM 0 HB THR A 83 -12.632 -16.734 -1.482 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.767 -16.736 -0.043 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.814 -18.368 -1.786 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.506 -17.864 -3.347 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.943 -17.203 -2.812 1.00 0.00 H new ATOM 1294 N PRO A 84 -13.953 -14.152 -2.126 1.00 0.00 N ATOM 1295 CA PRO A 84 -14.813 -13.206 -1.404 1.00 0.00 C ATOM 1296 C PRO A 84 -14.467 -13.212 0.087 1.00 0.00 C ATOM 1297 O PRO A 84 -14.478 -12.175 0.739 1.00 0.00 O ATOM 1298 CB PRO A 84 -16.230 -13.740 -1.640 1.00 0.00 C ATOM 1299 CG PRO A 84 -16.051 -15.109 -2.206 1.00 0.00 C ATOM 1300 CD PRO A 84 -14.740 -15.101 -2.913 1.00 0.00 C ATOM 0 HA PRO A 84 -14.696 -12.177 -1.743 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.798 -13.771 -0.710 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.781 -13.100 -2.329 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.062 -15.861 -1.417 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.861 -15.355 -2.892 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.283 -16.090 -2.929 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.842 -14.780 -3.950 1.00 0.00 H new ATOM 1308 N GLU A 85 -14.117 -14.392 0.592 1.00 0.00 N ATOM 1309 CA GLU A 85 -13.685 -14.578 1.959 1.00 0.00 C ATOM 1310 C GLU A 85 -12.480 -13.701 2.261 1.00 0.00 C ATOM 1311 O GLU A 85 -12.465 -12.998 3.256 1.00 0.00 O ATOM 1312 CB GLU A 85 -13.313 -16.031 2.198 1.00 0.00 C ATOM 1313 CG GLU A 85 -14.404 -17.032 1.906 1.00 0.00 C ATOM 1314 CD GLU A 85 -13.947 -18.440 2.170 1.00 0.00 C ATOM 1315 OE1 GLU A 85 -13.205 -19.006 1.333 1.00 0.00 O ATOM 1316 OE2 GLU A 85 -14.303 -19.004 3.223 1.00 0.00 O ATOM 0 H GLU A 85 -14.129 -15.255 0.048 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.508 -14.298 2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.446 -16.273 1.583 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.007 -16.144 3.238 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.276 -16.810 2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.715 -16.939 0.866 1.00 0.00 H new ATOM 1323 N ARG A 86 -11.481 -13.746 1.383 1.00 0.00 N ATOM 1324 CA ARG A 86 -10.296 -12.943 1.548 1.00 0.00 C ATOM 1325 C ARG A 86 -10.617 -11.467 1.532 1.00 0.00 C ATOM 1326 O ARG A 86 -10.017 -10.699 2.263 1.00 0.00 O ATOM 1327 CB ARG A 86 -9.242 -13.250 0.513 1.00 0.00 C ATOM 1328 CG ARG A 86 -8.415 -14.515 0.706 1.00 0.00 C ATOM 1329 CD ARG A 86 -7.808 -14.665 2.115 1.00 0.00 C ATOM 1330 NE ARG A 86 -7.461 -13.391 2.812 1.00 0.00 N ATOM 1331 CZ ARG A 86 -6.623 -12.456 2.420 1.00 0.00 C ATOM 1332 NH1 ARG A 86 -5.964 -12.601 1.309 1.00 0.00 N ATOM 1333 NH2 ARG A 86 -6.430 -11.381 3.192 1.00 0.00 N ATOM 0 H ARG A 86 -11.479 -14.336 0.551 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.891 -13.204 2.526 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.733 -13.314 -0.458 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.557 -12.403 0.469 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.043 -15.381 0.499 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.609 -14.524 -0.027 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.513 -15.217 2.737 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.906 -15.273 2.039 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.932 -13.225 3.702 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.097 -13.439 0.743 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.314 -11.877 1.004 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.931 -11.292 4.076 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.782 -10.651 2.897 1.00 0.00 H new ATOM 1347 N LEU A 87 -11.557 -11.093 0.699 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.995 -9.726 0.588 1.00 0.00 C ATOM 1349 C LEU A 87 -12.649 -9.268 1.881 1.00 0.00 C ATOM 1350 O LEU A 87 -12.333 -8.213 2.406 1.00 0.00 O ATOM 1351 CB LEU A 87 -12.964 -9.596 -0.577 1.00 0.00 C ATOM 1352 CG LEU A 87 -12.424 -10.003 -1.932 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -13.446 -9.717 -3.019 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -11.122 -9.286 -2.204 1.00 0.00 C ATOM 0 H LEU A 87 -12.043 -11.736 0.074 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.130 -9.088 0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.845 -10.201 -0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.295 -8.559 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.231 -11.076 -1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.042 -10.015 -3.986 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.358 -10.279 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.673 -8.651 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.740 -9.584 -3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.291 -8.209 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.395 -9.547 -1.435 1.00 0.00 H new ATOM 1366 N VAL A 88 -13.538 -10.078 2.382 1.00 0.00 N ATOM 1367 CA VAL A 88 -14.213 -9.841 3.608 1.00 0.00 C ATOM 1368 C VAL A 88 -13.299 -9.825 4.823 1.00 0.00 C ATOM 1369 O VAL A 88 -13.381 -8.925 5.671 1.00 0.00 O ATOM 1370 CB VAL A 88 -15.390 -10.812 3.715 1.00 0.00 C ATOM 1371 CG1 VAL A 88 -15.937 -10.768 5.079 1.00 0.00 C ATOM 1372 CG2 VAL A 88 -16.465 -10.589 2.693 1.00 0.00 C ATOM 0 H VAL A 88 -13.816 -10.947 1.927 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.607 -8.825 3.601 1.00 0.00 H new ATOM 0 HB VAL A 88 -15.000 -11.807 3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.776 -11.459 5.157 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -15.163 -11.055 5.791 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -16.278 -9.757 5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -17.262 -11.318 2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -16.869 -9.583 2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -16.046 -10.703 1.693 1.00 0.00 H new ATOM 1382 N GLU A 89 -12.419 -10.775 4.883 1.00 0.00 N ATOM 1383 CA GLU A 89 -11.389 -10.813 5.903 1.00 0.00 C ATOM 1384 C GLU A 89 -10.458 -9.590 5.821 1.00 0.00 C ATOM 1385 O GLU A 89 -9.840 -9.194 6.813 1.00 0.00 O ATOM 1386 CB GLU A 89 -10.583 -12.067 5.777 1.00 0.00 C ATOM 1387 CG GLU A 89 -11.245 -13.298 6.350 1.00 0.00 C ATOM 1388 CD GLU A 89 -11.417 -13.191 7.834 1.00 0.00 C ATOM 1389 OE1 GLU A 89 -10.472 -13.520 8.570 1.00 0.00 O ATOM 1390 OE2 GLU A 89 -12.485 -12.763 8.298 1.00 0.00 O ATOM 0 H GLU A 89 -12.385 -11.556 4.227 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.888 -10.793 6.872 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.370 -12.242 4.723 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.625 -11.920 6.276 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.218 -13.441 5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.645 -14.177 6.115 1.00 0.00 H new ATOM 1397 N ALA A 90 -10.323 -9.041 4.640 1.00 0.00 N ATOM 1398 CA ALA A 90 -9.511 -7.853 4.442 1.00 0.00 C ATOM 1399 C ALA A 90 -10.266 -6.582 4.765 1.00 0.00 C ATOM 1400 O ALA A 90 -9.669 -5.646 5.295 1.00 0.00 O ATOM 1401 CB ALA A 90 -8.946 -7.796 3.051 1.00 0.00 C ATOM 0 H ALA A 90 -10.766 -9.396 3.792 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.680 -7.926 5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.344 -6.894 2.939 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.322 -8.672 2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.761 -7.780 2.328 1.00 0.00 H new ATOM 1407 N GLU A 91 -11.585 -6.535 4.452 1.00 0.00 N ATOM 1408 CA GLU A 91 -12.417 -5.382 4.799 1.00 0.00 C ATOM 1409 C GLU A 91 -12.338 -5.048 6.279 1.00 0.00 C ATOM 1410 O GLU A 91 -12.622 -3.909 6.684 1.00 0.00 O ATOM 1411 CB GLU A 91 -13.842 -5.568 4.455 1.00 0.00 C ATOM 1412 CG GLU A 91 -14.230 -5.478 3.015 1.00 0.00 C ATOM 1413 CD GLU A 91 -15.723 -5.376 2.913 1.00 0.00 C ATOM 1414 OE1 GLU A 91 -16.417 -6.384 3.111 1.00 0.00 O ATOM 1415 OE2 GLU A 91 -16.242 -4.243 2.710 1.00 0.00 O ATOM 0 H GLU A 91 -12.081 -7.281 3.964 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.011 -4.564 4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.150 -6.546 4.824 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.419 -4.824 5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.762 -4.609 2.553 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.876 -6.356 2.475 1.00 0.00 H new ATOM 1422 N LYS A 92 -12.002 -6.054 7.073 1.00 0.00 N ATOM 1423 CA LYS A 92 -11.784 -5.916 8.489 1.00 0.00 C ATOM 1424 C LYS A 92 -10.823 -4.761 8.787 1.00 0.00 C ATOM 1425 O LYS A 92 -11.000 -4.015 9.754 1.00 0.00 O ATOM 1426 CB LYS A 92 -11.191 -7.200 9.028 1.00 0.00 C ATOM 1427 CG LYS A 92 -12.057 -8.436 8.824 1.00 0.00 C ATOM 1428 CD LYS A 92 -13.388 -8.363 9.527 1.00 0.00 C ATOM 1429 CE LYS A 92 -14.185 -9.646 9.327 1.00 0.00 C ATOM 1430 NZ LYS A 92 -13.540 -10.822 9.961 1.00 0.00 N ATOM 0 H LYS A 92 -11.873 -7.007 6.734 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.741 -5.706 8.967 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -10.225 -7.367 8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -11.002 -7.077 10.094 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -12.227 -8.578 7.757 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -11.515 -9.312 9.180 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -13.231 -8.191 10.592 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -13.957 -7.515 9.147 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -15.185 -9.517 9.742 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -14.304 -9.833 8.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -13.117 -11.424 9.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -12.797 -10.500 10.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -14.252 -11.367 10.488 1.00 0.00 H new ATOM 1444 N SER A 93 -9.798 -4.634 7.960 1.00 0.00 N ATOM 1445 CA SER A 93 -8.820 -3.572 8.096 1.00 0.00 C ATOM 1446 C SER A 93 -8.223 -3.084 6.754 1.00 0.00 C ATOM 1447 O SER A 93 -8.800 -2.225 6.088 1.00 0.00 O ATOM 1448 CB SER A 93 -7.749 -3.952 9.078 1.00 0.00 C ATOM 1449 OG SER A 93 -8.311 -4.189 10.370 1.00 0.00 O ATOM 0 H SER A 93 -9.622 -5.264 7.177 1.00 0.00 H new ATOM 0 HA SER A 93 -9.364 -2.713 8.489 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.231 -4.846 8.731 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.006 -3.157 9.139 1.00 0.00 H new ATOM 0 HG SER A 93 -7.702 -4.751 10.893 1.00 0.00 H new ATOM 1455 N TYR A 94 -7.112 -3.663 6.352 1.00 0.00 N ATOM 1456 CA TYR A 94 -6.410 -3.292 5.141 1.00 0.00 C ATOM 1457 C TYR A 94 -5.757 -4.536 4.529 1.00 0.00 C ATOM 1458 O TYR A 94 -5.828 -5.631 5.095 1.00 0.00 O ATOM 1459 CB TYR A 94 -5.242 -2.265 5.393 1.00 0.00 C ATOM 1460 CG TYR A 94 -4.194 -2.479 6.436 1.00 0.00 C ATOM 1461 CD1 TYR A 94 -4.538 -2.505 7.754 1.00 0.00 C ATOM 1462 CD2 TYR A 94 -2.843 -2.559 6.095 1.00 0.00 C ATOM 1463 CE1 TYR A 94 -3.586 -2.623 8.744 1.00 0.00 C ATOM 1464 CE2 TYR A 94 -1.881 -2.666 7.067 1.00 0.00 C ATOM 1465 CZ TYR A 94 -2.252 -2.699 8.393 1.00 0.00 C ATOM 1466 OH TYR A 94 -1.285 -2.801 9.373 1.00 0.00 O ATOM 0 H TYR A 94 -6.662 -4.420 6.868 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.156 -2.837 4.489 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.718 -2.150 4.444 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.712 -1.307 5.616 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.580 -2.432 8.029 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.552 -2.536 5.055 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.880 -2.656 9.783 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.838 -2.724 6.794 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.400 -2.846 8.955 1.00 0.00 H new ATOM 1476 N PHE A 95 -5.115 -4.333 3.406 1.00 0.00 N ATOM 1477 CA PHE A 95 -4.246 -5.307 2.763 1.00 0.00 C ATOM 1478 C PHE A 95 -2.887 -4.705 2.763 1.00 0.00 C ATOM 1479 O PHE A 95 -2.767 -3.494 2.844 1.00 0.00 O ATOM 1480 CB PHE A 95 -4.590 -5.555 1.283 1.00 0.00 C ATOM 1481 CG PHE A 95 -5.366 -6.789 0.967 1.00 0.00 C ATOM 1482 CD1 PHE A 95 -4.825 -8.030 1.230 1.00 0.00 C ATOM 1483 CD2 PHE A 95 -6.608 -6.715 0.368 1.00 0.00 C ATOM 1484 CE1 PHE A 95 -5.505 -9.177 0.910 1.00 0.00 C ATOM 1485 CE2 PHE A 95 -7.297 -7.863 0.034 1.00 0.00 C ATOM 1486 CZ PHE A 95 -6.741 -9.102 0.308 1.00 0.00 C ATOM 0 H PHE A 95 -5.180 -3.456 2.890 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.343 -6.251 3.300 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.154 -4.697 0.918 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.658 -5.587 0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.852 -8.099 1.694 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -7.044 -5.749 0.159 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.070 -10.141 1.131 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.266 -7.796 -0.439 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.275 -10.005 0.051 1.00 0.00 H new ATOM 1496 N ILE A 96 -1.880 -5.498 2.728 1.00 0.00 N ATOM 1497 CA ILE A 96 -0.566 -4.972 2.524 1.00 0.00 C ATOM 1498 C ILE A 96 -0.069 -5.539 1.205 1.00 0.00 C ATOM 1499 O ILE A 96 -0.349 -6.673 0.892 1.00 0.00 O ATOM 1500 CB ILE A 96 0.403 -5.316 3.660 1.00 0.00 C ATOM 1501 CG1 ILE A 96 -0.271 -5.043 4.997 1.00 0.00 C ATOM 1502 CG2 ILE A 96 1.657 -4.449 3.535 1.00 0.00 C ATOM 1503 CD1 ILE A 96 0.610 -5.288 6.173 1.00 0.00 C ATOM 0 H ILE A 96 -1.931 -6.511 2.837 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.612 -3.883 2.506 1.00 0.00 H new ATOM 0 HB ILE A 96 0.680 -6.369 3.600 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.610 -4.007 5.018 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.158 -5.671 5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.349 -4.691 4.342 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.137 -4.640 2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.380 -3.397 3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.061 -5.072 7.090 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.929 -6.330 6.178 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.485 -4.641 6.113 1.00 0.00 H new ATOM 1515 N LEU A 97 0.590 -4.743 0.433 1.00 0.00 N ATOM 1516 CA LEU A 97 1.104 -5.130 -0.847 1.00 0.00 C ATOM 1517 C LEU A 97 2.605 -5.022 -0.711 1.00 0.00 C ATOM 1518 O LEU A 97 3.153 -3.920 -0.561 1.00 0.00 O ATOM 1519 CB LEU A 97 0.552 -4.155 -1.914 1.00 0.00 C ATOM 1520 CG LEU A 97 0.553 -4.573 -3.407 1.00 0.00 C ATOM 1521 CD1 LEU A 97 1.380 -3.645 -4.272 1.00 0.00 C ATOM 1522 CD2 LEU A 97 0.959 -6.020 -3.597 1.00 0.00 C ATOM 0 H LEU A 97 0.795 -3.774 0.678 1.00 0.00 H new ATOM 0 HA LEU A 97 0.816 -6.136 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.477 -3.922 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.121 -3.228 -1.834 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.479 -4.481 -3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.345 -3.985 -5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.978 -2.634 -4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.413 -3.647 -3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.945 -6.266 -4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.964 -6.171 -3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.261 -6.667 -3.066 1.00 0.00 H new ATOM 1534 N ARG A 98 3.264 -6.138 -0.686 1.00 0.00 N ATOM 1535 CA ARG A 98 4.669 -6.160 -0.388 1.00 0.00 C ATOM 1536 C ARG A 98 5.406 -6.898 -1.419 1.00 0.00 C ATOM 1537 O ARG A 98 4.820 -7.682 -2.177 1.00 0.00 O ATOM 1538 CB ARG A 98 4.914 -6.875 0.922 1.00 0.00 C ATOM 1539 CG ARG A 98 4.244 -6.260 2.100 1.00 0.00 C ATOM 1540 CD ARG A 98 4.493 -7.074 3.332 1.00 0.00 C ATOM 1541 NE ARG A 98 5.914 -7.175 3.652 1.00 0.00 N ATOM 1542 CZ ARG A 98 6.389 -7.626 4.802 1.00 0.00 C ATOM 1543 NH1 ARG A 98 5.558 -7.913 5.802 1.00 0.00 N ATOM 1544 NH2 ARG A 98 7.692 -7.775 4.951 1.00 0.00 N ATOM 0 H ARG A 98 2.852 -7.053 -0.869 1.00 0.00 H new ATOM 0 HA ARG A 98 5.007 -5.125 -0.340 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.576 -7.907 0.826 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.988 -6.908 1.107 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.614 -5.245 2.247 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.172 -6.185 1.918 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.964 -6.626 4.174 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.082 -8.074 3.193 1.00 0.00 H new ATOM 0 HE ARG A 98 6.584 -6.879 2.943 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.553 -7.785 5.683 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.926 -8.260 6.687 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.323 -7.543 4.184 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.068 -8.122 5.833 1.00 0.00 H new ATOM 1558 N MET A 99 6.683 -6.659 -1.468 1.00 0.00 N ATOM 1559 CA MET A 99 7.503 -7.407 -2.317 1.00 0.00 C ATOM 1560 C MET A 99 7.801 -8.715 -1.640 1.00 0.00 C ATOM 1561 O MET A 99 8.030 -8.751 -0.420 1.00 0.00 O ATOM 1562 CB MET A 99 8.813 -6.711 -2.641 1.00 0.00 C ATOM 1563 CG MET A 99 8.656 -5.364 -3.289 1.00 0.00 C ATOM 1564 SD MET A 99 10.149 -4.773 -4.105 1.00 0.00 S ATOM 1565 CE MET A 99 10.265 -5.963 -5.458 1.00 0.00 C ATOM 0 H MET A 99 7.163 -5.945 -0.920 1.00 0.00 H new ATOM 0 HA MET A 99 6.974 -7.545 -3.260 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.385 -6.594 -1.721 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.398 -7.352 -3.301 1.00 0.00 H new ATOM 0 HG2 MET A 99 7.849 -5.414 -4.020 1.00 0.00 H new ATOM 0 HG3 MET A 99 8.356 -4.640 -2.532 1.00 0.00 H new ATOM 0 HE1 MET A 99 10.806 -5.515 -6.291 1.00 0.00 H new ATOM 0 HE2 MET A 99 10.796 -6.852 -5.116 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.263 -6.242 -5.784 1.00 0.00 H new