USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 749 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 96 LYS NZ :NH3+ 168:sc= 0.306 (180deg=-0.0751) USER MOD Set 1.2: A 100 LYS NZ :NH3+ 174:sc= 0.809 (180deg=0.789) USER MOD Set 2.1: A 95 SER OG : rot 76:sc= 1.88 USER MOD Set 2.2: A 98 GLN : amide:sc= 1.08 K(o=3,f=2) USER MOD Set 3.1: A 59 ASN : amide:sc= 2.31 K(o=3.3,f=-7!) USER MOD Set 3.2: A 62 GLN : amide:sc= 1.02 K(o=3.3,f=1.4) USER MOD Set 4.1: A 8 THR OG1 : rot -39:sc= 1.3 USER MOD Set 4.2: A 11 SER OG : rot 180:sc= 1.99 USER MOD Single : A 3 LYS NZ :NH3+ -131:sc= 0.539 (180deg=0.0095) USER MOD Single : A 6 HIS : no HE2:sc= -0.233 X(o=-0.23,f=-0.15) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 18 LYS NZ :NH3+ 155:sc= 0.304 (180deg=-1.09!) USER MOD Single : A 36 LYS NZ :NH3+ -142:sc= -0.136 (180deg=-1.1) USER MOD Single : A 37 MET CE :methyl -171:sc=-0.00388 (180deg=-0.123) USER MOD Single : A 49 TYR OH : rot -179:sc= 1.25 USER MOD Single : A 50 GLN : amide:sc= 0.035 X(o=0.035,f=-0.37) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= -0.0991 (180deg=-0.138) USER MOD Single : A 63 ASN : amide:sc= 1.24 K(o=1.2,f=-5.1!) USER MOD Single : A 66 THR OG1 : rot -55:sc= 1.25 USER MOD Single : A 69 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00397) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 39:sc= 0.981 USER MOD Single : A 90 LYS NZ :NH3+ -175:sc= 1.01 (180deg=0.974) USER MOD Single : A 106 ASN : amide:sc= 1.15 K(o=1.1,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 24 N LYS A 3 3.953 -8.885 1.485 1.00 0.00 N ATOM 25 CA LYS A 3 2.720 -8.467 2.136 1.00 0.00 C ATOM 26 C LYS A 3 1.935 -7.613 1.140 1.00 0.00 C ATOM 27 O LYS A 3 1.433 -6.546 1.487 1.00 0.00 O ATOM 28 CB LYS A 3 3.057 -7.685 3.418 1.00 0.00 C ATOM 29 CG LYS A 3 3.808 -8.530 4.454 1.00 0.00 C ATOM 30 CD LYS A 3 4.266 -7.645 5.621 1.00 0.00 C ATOM 31 CE LYS A 3 5.161 -8.417 6.598 1.00 0.00 C ATOM 32 NZ LYS A 3 6.474 -8.741 6.010 1.00 0.00 N ATOM 0 HA LYS A 3 2.113 -9.324 2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.662 -6.816 3.159 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.135 -7.311 3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.162 -9.327 4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.670 -9.008 3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.809 -6.783 5.233 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.394 -7.261 6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.305 -7.825 7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.661 -9.338 6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.684 -9.748 6.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.456 -8.542 4.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.210 -8.162 6.463 1.00 0.00 H new ATOM 46 N ILE A 4 1.860 -8.073 -0.114 1.00 0.00 N ATOM 47 CA ILE A 4 1.191 -7.360 -1.192 1.00 0.00 C ATOM 48 C ILE A 4 -0.167 -7.984 -1.498 1.00 0.00 C ATOM 49 O ILE A 4 -0.283 -9.201 -1.634 1.00 0.00 O ATOM 50 CB ILE A 4 2.071 -7.335 -2.450 1.00 0.00 C ATOM 51 CG1 ILE A 4 3.414 -6.654 -2.134 1.00 0.00 C ATOM 52 CG2 ILE A 4 1.314 -6.610 -3.567 1.00 0.00 C ATOM 53 CD1 ILE A 4 4.196 -6.178 -3.352 1.00 0.00 C ATOM 0 H ILE A 4 2.269 -8.961 -0.405 1.00 0.00 H new ATOM 0 HA ILE A 4 1.025 -6.333 -0.867 1.00 0.00 H new ATOM 0 HB ILE A 4 2.290 -8.349 -2.783 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.227 -5.799 -1.484 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.035 -7.352 -1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.929 -6.585 -4.467 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.384 -7.137 -3.778 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.090 -5.591 -3.253 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.127 -5.712 -3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.421 -7.029 -3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.601 -5.452 -3.906 1.00 0.00 H new ATOM 65 N ILE A 5 -1.187 -7.136 -1.654 1.00 0.00 N ATOM 66 CA ILE A 5 -2.531 -7.567 -2.006 1.00 0.00 C ATOM 67 C ILE A 5 -2.700 -7.616 -3.527 1.00 0.00 C ATOM 68 O ILE A 5 -2.614 -6.608 -4.230 1.00 0.00 O ATOM 69 CB ILE A 5 -3.593 -6.688 -1.321 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.321 -6.458 0.178 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.994 -7.281 -1.529 1.00 0.00 C ATOM 72 CD1 ILE A 5 -3.202 -7.743 1.006 1.00 0.00 C ATOM 0 H ILE A 5 -1.097 -6.127 -1.538 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.681 -8.581 -1.634 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.537 -5.709 -1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.399 -5.886 0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.124 -5.848 0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.734 -6.648 -1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.212 -7.334 -2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.032 -8.283 -1.100 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.011 -7.488 2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.131 -8.309 0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.379 -8.347 0.624 1.00 0.00 H new ATOM 84 N HIS A 6 -2.958 -8.815 -4.036 1.00 0.00 N ATOM 85 CA HIS A 6 -3.160 -9.070 -5.447 1.00 0.00 C ATOM 86 C HIS A 6 -4.642 -8.895 -5.761 1.00 0.00 C ATOM 87 O HIS A 6 -5.396 -9.859 -5.850 1.00 0.00 O ATOM 88 CB HIS A 6 -2.555 -10.444 -5.760 1.00 0.00 C ATOM 89 CG HIS A 6 -1.063 -10.404 -5.515 1.00 0.00 C ATOM 90 ND1 HIS A 6 -0.370 -10.908 -4.423 1.00 0.00 N ATOM 91 CD2 HIS A 6 -0.239 -9.514 -6.137 1.00 0.00 C ATOM 92 CE1 HIS A 6 0.862 -10.357 -4.429 1.00 0.00 C ATOM 93 NE2 HIS A 6 0.965 -9.519 -5.471 1.00 0.00 N ATOM 0 H HIS A 6 -3.033 -9.654 -3.460 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.650 -8.365 -6.104 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.017 -11.208 -5.135 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -2.757 -10.715 -6.796 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -0.728 -11.575 -3.739 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.487 -8.912 -6.999 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.641 -10.559 -3.709 1.00 0.00 H new ATOM 102 N LEU A 7 -5.045 -7.627 -5.874 1.00 0.00 N ATOM 103 CA LEU A 7 -6.418 -7.212 -6.097 1.00 0.00 C ATOM 104 C LEU A 7 -6.948 -7.624 -7.464 1.00 0.00 C ATOM 105 O LEU A 7 -6.194 -7.903 -8.397 1.00 0.00 O ATOM 106 CB LEU A 7 -6.497 -5.683 -6.012 1.00 0.00 C ATOM 107 CG LEU A 7 -6.185 -5.100 -4.631 1.00 0.00 C ATOM 108 CD1 LEU A 7 -6.066 -3.584 -4.790 1.00 0.00 C ATOM 109 CD2 LEU A 7 -7.305 -5.407 -3.634 1.00 0.00 C ATOM 0 H LEU A 7 -4.398 -6.841 -5.810 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.024 -7.701 -5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.803 -5.257 -6.736 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.498 -5.368 -6.306 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.264 -5.541 -4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.843 -3.133 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.264 -3.354 -5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.006 -3.183 -5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.055 -4.980 -2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.239 -4.973 -3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.420 -6.487 -3.537 1.00 0.00 H new ATOM 121 N THR A 8 -8.275 -7.567 -7.574 1.00 0.00 N ATOM 122 CA THR A 8 -9.043 -7.778 -8.781 1.00 0.00 C ATOM 123 C THR A 8 -10.050 -6.634 -8.866 1.00 0.00 C ATOM 124 O THR A 8 -10.304 -5.969 -7.860 1.00 0.00 O ATOM 125 CB THR A 8 -9.765 -9.135 -8.740 1.00 0.00 C ATOM 126 OG1 THR A 8 -10.719 -9.168 -7.690 1.00 0.00 O ATOM 127 CG2 THR A 8 -8.774 -10.289 -8.557 1.00 0.00 C ATOM 0 H THR A 8 -8.869 -7.360 -6.771 1.00 0.00 H new ATOM 0 HA THR A 8 -8.393 -7.792 -9.656 1.00 0.00 H new ATOM 0 HB THR A 8 -10.275 -9.257 -9.696 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.357 -8.706 -6.905 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.317 -11.234 -8.532 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.068 -10.298 -9.388 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.231 -10.158 -7.621 1.00 0.00 H new ATOM 135 N ASP A 9 -10.648 -6.405 -10.035 1.00 0.00 N ATOM 136 CA ASP A 9 -11.658 -5.364 -10.194 1.00 0.00 C ATOM 137 C ASP A 9 -12.779 -5.568 -9.166 1.00 0.00 C ATOM 138 O ASP A 9 -13.242 -4.620 -8.539 1.00 0.00 O ATOM 139 CB ASP A 9 -12.211 -5.385 -11.622 1.00 0.00 C ATOM 140 CG ASP A 9 -13.127 -4.188 -11.863 1.00 0.00 C ATOM 141 OD1 ASP A 9 -12.570 -3.102 -12.137 1.00 0.00 O ATOM 142 OD2 ASP A 9 -14.357 -4.379 -11.768 1.00 0.00 O ATOM 0 H ASP A 9 -10.448 -6.929 -10.887 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.205 -4.388 -10.020 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.388 -5.369 -12.336 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.762 -6.310 -11.791 1.00 0.00 H new ATOM 147 N ASP A 10 -13.186 -6.829 -8.994 1.00 0.00 N ATOM 148 CA ASP A 10 -14.232 -7.248 -8.073 1.00 0.00 C ATOM 149 C ASP A 10 -13.884 -6.899 -6.625 1.00 0.00 C ATOM 150 O ASP A 10 -14.728 -6.389 -5.893 1.00 0.00 O ATOM 151 CB ASP A 10 -14.463 -8.761 -8.202 1.00 0.00 C ATOM 152 CG ASP A 10 -14.727 -9.191 -9.641 1.00 0.00 C ATOM 153 OD1 ASP A 10 -13.730 -9.248 -10.395 1.00 0.00 O ATOM 154 OD2 ASP A 10 -15.908 -9.447 -9.958 1.00 0.00 O ATOM 0 H ASP A 10 -12.779 -7.608 -9.512 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.143 -6.711 -8.336 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.590 -9.292 -7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.309 -9.051 -7.579 1.00 0.00 H new ATOM 159 N SER A 11 -12.647 -7.178 -6.199 1.00 0.00 N ATOM 160 CA SER A 11 -12.238 -6.919 -4.822 1.00 0.00 C ATOM 161 C SER A 11 -11.922 -5.439 -4.605 1.00 0.00 C ATOM 162 O SER A 11 -12.021 -4.950 -3.480 1.00 0.00 O ATOM 163 CB SER A 11 -11.047 -7.808 -4.453 1.00 0.00 C ATOM 164 OG SER A 11 -10.030 -7.742 -5.434 1.00 0.00 O ATOM 0 H SER A 11 -11.918 -7.581 -6.788 1.00 0.00 H new ATOM 0 HA SER A 11 -13.069 -7.167 -4.161 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.645 -7.498 -3.488 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.381 -8.839 -4.342 1.00 0.00 H new ATOM 0 HG SER A 11 -9.283 -8.319 -5.170 1.00 0.00 H new ATOM 170 N PHE A 12 -11.529 -4.733 -5.670 1.00 0.00 N ATOM 171 CA PHE A 12 -11.159 -3.327 -5.662 1.00 0.00 C ATOM 172 C PHE A 12 -12.018 -2.474 -4.729 1.00 0.00 C ATOM 173 O PHE A 12 -11.489 -1.813 -3.841 1.00 0.00 O ATOM 174 CB PHE A 12 -11.198 -2.764 -7.086 1.00 0.00 C ATOM 175 CG PHE A 12 -10.319 -1.549 -7.240 1.00 0.00 C ATOM 176 CD1 PHE A 12 -10.795 -0.267 -6.907 1.00 0.00 C ATOM 177 CD2 PHE A 12 -8.961 -1.734 -7.544 1.00 0.00 C ATOM 178 CE1 PHE A 12 -9.912 0.825 -6.905 1.00 0.00 C ATOM 179 CE2 PHE A 12 -8.102 -0.631 -7.627 1.00 0.00 C ATOM 180 CZ PHE A 12 -8.577 0.649 -7.309 1.00 0.00 C ATOM 0 H PHE A 12 -11.459 -5.150 -6.598 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.143 -3.277 -5.270 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.878 -3.534 -7.788 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.224 -2.503 -7.344 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.835 -0.124 -6.654 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.578 -2.729 -7.714 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.258 1.799 -6.593 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.076 -0.766 -7.935 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.917 1.501 -7.374 1.00 0.00 H new ATOM 190 N ASP A 13 -13.340 -2.473 -4.919 1.00 0.00 N ATOM 191 CA ASP A 13 -14.235 -1.684 -4.079 1.00 0.00 C ATOM 192 C ASP A 13 -14.020 -2.025 -2.604 1.00 0.00 C ATOM 193 O ASP A 13 -13.654 -1.176 -1.790 1.00 0.00 O ATOM 194 CB ASP A 13 -15.694 -1.927 -4.493 1.00 0.00 C ATOM 195 CG ASP A 13 -16.668 -1.256 -3.527 1.00 0.00 C ATOM 196 OD1 ASP A 13 -16.975 -0.068 -3.763 1.00 0.00 O ATOM 197 OD2 ASP A 13 -17.084 -1.939 -2.566 1.00 0.00 O ATOM 0 H ASP A 13 -13.811 -3.010 -5.647 1.00 0.00 H new ATOM 0 HA ASP A 13 -14.010 -0.626 -4.216 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.856 -1.543 -5.500 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.891 -2.999 -4.524 1.00 0.00 H new ATOM 202 N THR A 14 -14.272 -3.288 -2.274 1.00 0.00 N ATOM 203 CA THR A 14 -14.200 -3.829 -0.938 1.00 0.00 C ATOM 204 C THR A 14 -12.875 -3.540 -0.240 1.00 0.00 C ATOM 205 O THR A 14 -12.862 -3.236 0.949 1.00 0.00 O ATOM 206 CB THR A 14 -14.467 -5.338 -1.038 1.00 0.00 C ATOM 207 OG1 THR A 14 -15.402 -5.573 -2.078 1.00 0.00 O ATOM 208 CG2 THR A 14 -15.009 -5.905 0.275 1.00 0.00 C ATOM 0 H THR A 14 -14.543 -3.986 -2.967 1.00 0.00 H new ATOM 0 HA THR A 14 -14.951 -3.342 -0.317 1.00 0.00 H new ATOM 0 HB THR A 14 -13.523 -5.839 -1.252 1.00 0.00 H new ATOM 0 HG1 THR A 14 -15.577 -6.535 -2.150 1.00 0.00 H new ATOM 0 HG21 THR A 14 -15.185 -6.975 0.164 1.00 0.00 H new ATOM 0 HG22 THR A 14 -14.283 -5.737 1.071 1.00 0.00 H new ATOM 0 HG23 THR A 14 -15.945 -5.407 0.527 1.00 0.00 H new ATOM 216 N ASP A 15 -11.767 -3.681 -0.966 1.00 0.00 N ATOM 217 CA ASP A 15 -10.435 -3.516 -0.414 1.00 0.00 C ATOM 218 C ASP A 15 -9.971 -2.062 -0.460 1.00 0.00 C ATOM 219 O ASP A 15 -9.594 -1.503 0.565 1.00 0.00 O ATOM 220 CB ASP A 15 -9.446 -4.400 -1.183 1.00 0.00 C ATOM 221 CG ASP A 15 -9.605 -5.888 -0.872 1.00 0.00 C ATOM 222 OD1 ASP A 15 -10.712 -6.417 -1.112 1.00 0.00 O ATOM 223 OD2 ASP A 15 -8.604 -6.477 -0.410 1.00 0.00 O ATOM 0 H ASP A 15 -11.775 -3.914 -1.959 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.471 -3.817 0.633 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.582 -4.242 -2.253 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.429 -4.091 -0.942 1.00 0.00 H new ATOM 228 N VAL A 16 -9.943 -1.466 -1.651 1.00 0.00 N ATOM 229 CA VAL A 16 -9.396 -0.140 -1.885 1.00 0.00 C ATOM 230 C VAL A 16 -10.362 0.967 -1.491 1.00 0.00 C ATOM 231 O VAL A 16 -9.978 1.891 -0.771 1.00 0.00 O ATOM 232 CB VAL A 16 -8.983 0.005 -3.360 1.00 0.00 C ATOM 233 CG1 VAL A 16 -8.204 1.305 -3.570 1.00 0.00 C ATOM 234 CG2 VAL A 16 -8.111 -1.164 -3.825 1.00 0.00 C ATOM 0 H VAL A 16 -10.309 -1.905 -2.496 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.518 -0.033 -1.248 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.902 0.014 -3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.919 1.393 -4.618 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.830 2.153 -3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.308 1.296 -2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.841 -1.023 -4.872 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.206 -1.206 -3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.664 -2.097 -3.715 1.00 0.00 H new ATOM 244 N LEU A 17 -11.611 0.916 -1.963 1.00 0.00 N ATOM 245 CA LEU A 17 -12.527 2.009 -1.663 1.00 0.00 C ATOM 246 C LEU A 17 -12.818 2.057 -0.167 1.00 0.00 C ATOM 247 O LEU A 17 -12.881 3.140 0.406 1.00 0.00 O ATOM 248 CB LEU A 17 -13.743 2.033 -2.597 1.00 0.00 C ATOM 249 CG LEU A 17 -13.322 2.183 -4.075 1.00 0.00 C ATOM 250 CD1 LEU A 17 -14.568 2.303 -4.957 1.00 0.00 C ATOM 251 CD2 LEU A 17 -12.433 3.411 -4.328 1.00 0.00 C ATOM 0 H LEU A 17 -11.996 0.161 -2.531 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.046 2.961 -1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.316 1.114 -2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.399 2.858 -2.320 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.743 1.293 -4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.267 2.409 -5.999 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.181 1.408 -4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -15.144 3.177 -4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.172 3.459 -5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.972 4.315 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.523 3.330 -3.733 1.00 0.00 H new ATOM 263 N LYS A 18 -12.905 0.893 0.484 1.00 0.00 N ATOM 264 CA LYS A 18 -13.041 0.835 1.934 1.00 0.00 C ATOM 265 C LYS A 18 -11.674 0.611 2.603 1.00 0.00 C ATOM 266 O LYS A 18 -11.612 -0.039 3.646 1.00 0.00 O ATOM 267 CB LYS A 18 -14.050 -0.251 2.327 1.00 0.00 C ATOM 268 CG LYS A 18 -15.379 -0.103 1.568 1.00 0.00 C ATOM 269 CD LYS A 18 -16.544 -0.846 2.243 1.00 0.00 C ATOM 270 CE LYS A 18 -16.599 -2.354 1.959 1.00 0.00 C ATOM 271 NZ LYS A 18 -15.420 -3.082 2.460 1.00 0.00 N ATOM 0 H LYS A 18 -12.883 -0.018 0.026 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.422 1.792 2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.623 -1.233 2.123 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.237 -0.201 3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.629 0.955 1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.255 -0.480 0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.476 -0.696 3.320 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.481 -0.395 1.917 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.497 -2.771 2.416 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.686 -2.512 0.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.673 -4.076 2.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.658 -3.036 1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.096 -2.649 3.348 1.00 0.00 H new ATOM 314 N ALA A 22 -4.142 3.401 4.376 1.00 0.00 N ATOM 315 CA ALA A 22 -3.555 3.816 3.114 1.00 0.00 C ATOM 316 C ALA A 22 -3.191 2.572 2.311 1.00 0.00 C ATOM 317 O ALA A 22 -2.389 1.758 2.769 1.00 0.00 O ATOM 318 CB ALA A 22 -2.326 4.682 3.393 1.00 0.00 C ATOM 0 HA ALA A 22 -4.262 4.409 2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.881 4.997 2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.623 5.561 3.965 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.597 4.106 3.964 1.00 0.00 H new ATOM 324 N ILE A 23 -3.773 2.433 1.118 1.00 0.00 N ATOM 325 CA ILE A 23 -3.531 1.324 0.209 1.00 0.00 C ATOM 326 C ILE A 23 -2.793 1.862 -1.020 1.00 0.00 C ATOM 327 O ILE A 23 -3.265 2.802 -1.656 1.00 0.00 O ATOM 328 CB ILE A 23 -4.846 0.586 -0.121 1.00 0.00 C ATOM 329 CG1 ILE A 23 -5.171 -0.405 1.009 1.00 0.00 C ATOM 330 CG2 ILE A 23 -4.752 -0.171 -1.452 1.00 0.00 C ATOM 331 CD1 ILE A 23 -6.432 -1.245 0.808 1.00 0.00 C ATOM 0 H ILE A 23 -4.443 3.110 0.753 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.895 0.570 0.673 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.637 1.330 -0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.323 -1.079 1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.272 0.153 1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.697 -0.678 -1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.542 0.533 -2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.950 -0.907 -1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.567 -1.909 1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.297 -0.588 0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.333 -1.839 -0.101 1.00 0.00 H new ATOM 343 N LEU A 24 -1.644 1.267 -1.355 1.00 0.00 N ATOM 344 CA LEU A 24 -0.831 1.652 -2.504 1.00 0.00 C ATOM 345 C LEU A 24 -1.038 0.616 -3.598 1.00 0.00 C ATOM 346 O LEU A 24 -0.446 -0.459 -3.539 1.00 0.00 O ATOM 347 CB LEU A 24 0.637 1.775 -2.068 1.00 0.00 C ATOM 348 CG LEU A 24 1.628 2.336 -3.107 1.00 0.00 C ATOM 349 CD1 LEU A 24 2.131 1.296 -4.110 1.00 0.00 C ATOM 350 CD2 LEU A 24 1.075 3.546 -3.863 1.00 0.00 C ATOM 0 H LEU A 24 -1.249 0.491 -0.823 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.126 2.624 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.676 2.411 -1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.985 0.787 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 24 2.480 2.655 -2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.823 1.768 -4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.643 0.494 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.286 0.884 -4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.817 3.897 -4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.166 3.260 -4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.848 4.344 -3.156 1.00 0.00 H new ATOM 362 N VAL A 25 -1.877 0.930 -4.589 1.00 0.00 N ATOM 363 CA VAL A 25 -2.169 0.018 -5.681 1.00 0.00 C ATOM 364 C VAL A 25 -1.220 0.263 -6.846 1.00 0.00 C ATOM 365 O VAL A 25 -1.306 1.288 -7.522 1.00 0.00 O ATOM 366 CB VAL A 25 -3.623 0.124 -6.166 1.00 0.00 C ATOM 367 CG1 VAL A 25 -3.901 -1.046 -7.123 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.635 0.088 -5.021 1.00 0.00 C ATOM 0 H VAL A 25 -2.368 1.822 -4.650 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.026 -0.991 -5.294 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.740 1.086 -6.664 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.930 -0.988 -7.479 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.220 -0.991 -7.972 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.751 -1.989 -6.598 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.644 0.167 -5.425 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.534 -0.850 -4.476 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.449 0.922 -4.345 1.00 0.00 H new ATOM 378 N ASP A 26 -0.354 -0.714 -7.108 1.00 0.00 N ATOM 379 CA ASP A 26 0.522 -0.721 -8.259 1.00 0.00 C ATOM 380 C ASP A 26 -0.239 -1.408 -9.392 1.00 0.00 C ATOM 381 O ASP A 26 -0.413 -2.623 -9.362 1.00 0.00 O ATOM 382 CB ASP A 26 1.820 -1.465 -7.931 1.00 0.00 C ATOM 383 CG ASP A 26 2.600 -1.857 -9.183 1.00 0.00 C ATOM 384 OD1 ASP A 26 3.106 -2.973 -9.273 1.00 0.00 O ATOM 385 OD2 ASP A 26 2.709 -0.947 -10.190 1.00 0.00 O ATOM 0 H ASP A 26 -0.246 -1.534 -6.511 1.00 0.00 H new ATOM 0 HA ASP A 26 0.801 0.291 -8.551 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.446 -0.836 -7.299 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.586 -2.361 -7.357 1.00 0.00 H new ATOM 391 N PHE A 27 -0.675 -0.650 -10.393 1.00 0.00 N ATOM 392 CA PHE A 27 -1.324 -1.225 -11.564 1.00 0.00 C ATOM 393 C PHE A 27 -0.189 -1.742 -12.442 1.00 0.00 C ATOM 394 O PHE A 27 0.677 -0.950 -12.814 1.00 0.00 O ATOM 395 CB PHE A 27 -2.166 -0.171 -12.292 1.00 0.00 C ATOM 396 CG PHE A 27 -3.502 0.124 -11.630 1.00 0.00 C ATOM 397 CD1 PHE A 27 -3.559 0.669 -10.334 1.00 0.00 C ATOM 398 CD2 PHE A 27 -4.700 -0.166 -12.309 1.00 0.00 C ATOM 399 CE1 PHE A 27 -4.802 0.918 -9.725 1.00 0.00 C ATOM 400 CE2 PHE A 27 -5.940 0.107 -11.708 1.00 0.00 C ATOM 401 CZ PHE A 27 -5.993 0.652 -10.415 1.00 0.00 C ATOM 0 H PHE A 27 -0.590 0.366 -10.416 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.014 -2.026 -11.298 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.593 0.754 -12.357 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.345 -0.507 -13.313 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.645 0.897 -9.805 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.666 -0.601 -13.297 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.839 1.316 -8.722 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.855 -0.103 -12.242 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.946 0.865 -9.954 1.00 0.00 H new ATOM 411 N TRP A 28 -0.170 -3.049 -12.732 1.00 0.00 N ATOM 412 CA TRP A 28 0.896 -3.701 -13.486 1.00 0.00 C ATOM 413 C TRP A 28 0.338 -4.691 -14.508 1.00 0.00 C ATOM 414 O TRP A 28 -0.858 -4.973 -14.514 1.00 0.00 O ATOM 415 CB TRP A 28 1.842 -4.412 -12.507 1.00 0.00 C ATOM 416 CG TRP A 28 1.301 -5.640 -11.839 1.00 0.00 C ATOM 417 CD1 TRP A 28 0.343 -5.669 -10.891 1.00 0.00 C ATOM 418 CD2 TRP A 28 1.684 -7.031 -12.052 1.00 0.00 C ATOM 419 NE1 TRP A 28 0.054 -6.975 -10.548 1.00 0.00 N ATOM 420 CE2 TRP A 28 0.864 -7.859 -11.230 1.00 0.00 C ATOM 421 CE3 TRP A 28 2.656 -7.672 -12.844 1.00 0.00 C ATOM 422 CZ2 TRP A 28 0.988 -9.256 -11.214 1.00 0.00 C ATOM 423 CZ3 TRP A 28 2.805 -9.071 -12.822 1.00 0.00 C ATOM 424 CH2 TRP A 28 1.965 -9.863 -12.021 1.00 0.00 C ATOM 0 H TRP A 28 -0.909 -3.689 -12.442 1.00 0.00 H new ATOM 0 HA TRP A 28 1.445 -2.941 -14.042 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.749 -4.686 -13.045 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.133 -3.701 -11.734 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -0.130 -4.798 -10.462 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.664 -7.250 -9.878 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.298 -7.080 -13.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.342 -9.856 -10.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.570 -9.539 -13.424 1.00 0.00 H new ATOM 0 HH2 TRP A 28 2.070 -10.938 -12.026 1.00 0.00 H new ATOM 435 N ALA A 29 1.211 -5.245 -15.353 1.00 0.00 N ATOM 436 CA ALA A 29 0.873 -6.247 -16.355 1.00 0.00 C ATOM 437 C ALA A 29 1.932 -7.345 -16.313 1.00 0.00 C ATOM 438 O ALA A 29 3.081 -7.061 -15.979 1.00 0.00 O ATOM 439 CB ALA A 29 0.799 -5.612 -17.744 1.00 0.00 C ATOM 0 H ALA A 29 2.201 -4.998 -15.355 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.106 -6.675 -16.140 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.545 -6.375 -18.480 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.034 -4.835 -17.749 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.764 -5.172 -17.995 1.00 0.00 H new ATOM 445 N GLU A 30 1.576 -8.580 -16.668 1.00 0.00 N ATOM 446 CA GLU A 30 2.508 -9.707 -16.654 1.00 0.00 C ATOM 447 C GLU A 30 3.758 -9.409 -17.493 1.00 0.00 C ATOM 448 O GLU A 30 4.869 -9.773 -17.123 1.00 0.00 O ATOM 449 CB GLU A 30 1.813 -10.986 -17.146 1.00 0.00 C ATOM 450 CG GLU A 30 0.537 -11.357 -16.370 1.00 0.00 C ATOM 451 CD GLU A 30 0.758 -11.514 -14.867 1.00 0.00 C ATOM 452 OE1 GLU A 30 1.804 -12.089 -14.501 1.00 0.00 O ATOM 453 OE2 GLU A 30 -0.134 -11.066 -14.113 1.00 0.00 O ATOM 0 H GLU A 30 0.634 -8.827 -16.973 1.00 0.00 H new ATOM 0 HA GLU A 30 2.831 -9.862 -15.625 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.560 -10.865 -18.199 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.517 -11.815 -17.080 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.217 -10.589 -16.539 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.137 -12.289 -16.769 1.00 0.00 H new ATOM 460 N TRP A 31 3.564 -8.732 -18.625 1.00 0.00 N ATOM 461 CA TRP A 31 4.621 -8.344 -19.551 1.00 0.00 C ATOM 462 C TRP A 31 5.317 -7.038 -19.135 1.00 0.00 C ATOM 463 O TRP A 31 6.264 -6.607 -19.793 1.00 0.00 O ATOM 464 CB TRP A 31 4.011 -8.231 -20.955 1.00 0.00 C ATOM 465 CG TRP A 31 2.731 -7.452 -21.040 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.491 -7.992 -21.023 1.00 0.00 C ATOM 467 CD2 TRP A 31 2.536 -6.006 -21.093 1.00 0.00 C ATOM 468 NE1 TRP A 31 0.549 -6.988 -21.041 1.00 0.00 N ATOM 469 CE2 TRP A 31 1.134 -5.740 -21.099 1.00 0.00 C ATOM 470 CE3 TRP A 31 3.397 -4.887 -21.122 1.00 0.00 C ATOM 471 CZ2 TRP A 31 0.614 -4.439 -21.127 1.00 0.00 C ATOM 472 CZ3 TRP A 31 2.887 -3.576 -21.154 1.00 0.00 C ATOM 473 CH2 TRP A 31 1.500 -3.350 -21.163 1.00 0.00 C ATOM 0 H TRP A 31 2.638 -8.431 -18.929 1.00 0.00 H new ATOM 0 HA TRP A 31 5.399 -9.107 -19.541 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.744 -7.766 -21.615 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.831 -9.236 -21.336 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.273 -9.050 -20.999 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.458 -7.147 -21.015 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.466 -5.040 -21.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.454 -4.276 -21.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.567 -2.737 -21.172 1.00 0.00 H new ATOM 0 HH2 TRP A 31 1.116 -2.341 -21.198 1.00 0.00 H new ATOM 484 N CYS A 32 4.879 -6.387 -18.053 1.00 0.00 N ATOM 485 CA CYS A 32 5.466 -5.127 -17.627 1.00 0.00 C ATOM 486 C CYS A 32 6.775 -5.368 -16.875 1.00 0.00 C ATOM 487 O CYS A 32 6.821 -5.350 -15.643 1.00 0.00 O ATOM 488 CB CYS A 32 4.490 -4.338 -16.761 1.00 0.00 C ATOM 489 SG CYS A 32 5.144 -2.740 -16.236 1.00 0.00 S ATOM 0 H CYS A 32 4.118 -6.718 -17.460 1.00 0.00 H new ATOM 0 HA CYS A 32 5.684 -4.538 -18.518 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.565 -4.181 -17.316 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.236 -4.928 -15.880 1.00 0.00 H new ATOM 494 N GLY A 33 7.846 -5.582 -17.642 1.00 0.00 N ATOM 495 CA GLY A 33 9.196 -5.774 -17.128 1.00 0.00 C ATOM 496 C GLY A 33 9.509 -4.818 -15.968 1.00 0.00 C ATOM 497 O GLY A 33 9.810 -5.285 -14.874 1.00 0.00 O ATOM 0 H GLY A 33 7.794 -5.627 -18.660 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.313 -6.804 -16.791 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.916 -5.618 -17.931 1.00 0.00 H new ATOM 501 N PRO A 34 9.425 -3.492 -16.171 1.00 0.00 N ATOM 502 CA PRO A 34 9.675 -2.502 -15.129 1.00 0.00 C ATOM 503 C PRO A 34 8.834 -2.719 -13.862 1.00 0.00 C ATOM 504 O PRO A 34 9.328 -2.554 -12.750 1.00 0.00 O ATOM 505 CB PRO A 34 9.362 -1.144 -15.769 1.00 0.00 C ATOM 506 CG PRO A 34 9.596 -1.396 -17.258 1.00 0.00 C ATOM 507 CD PRO A 34 9.105 -2.832 -17.427 1.00 0.00 C ATOM 0 HA PRO A 34 10.707 -2.575 -14.786 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.337 -0.832 -15.570 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.014 -0.359 -15.386 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.036 -0.699 -17.881 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.647 -1.291 -17.528 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.034 -2.862 -17.626 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.599 -3.321 -18.267 1.00 0.00 H new ATOM 515 N CYS A 35 7.563 -3.100 -14.019 1.00 0.00 N ATOM 516 CA CYS A 35 6.671 -3.332 -12.888 1.00 0.00 C ATOM 517 C CYS A 35 7.241 -4.477 -12.058 1.00 0.00 C ATOM 518 O CYS A 35 7.380 -4.376 -10.840 1.00 0.00 O ATOM 519 CB CYS A 35 5.234 -3.679 -13.300 1.00 0.00 C ATOM 520 SG CYS A 35 4.297 -2.538 -14.353 1.00 0.00 S ATOM 0 H CYS A 35 7.129 -3.254 -14.929 1.00 0.00 H new ATOM 0 HA CYS A 35 6.616 -2.403 -12.321 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.266 -4.641 -13.811 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.659 -3.823 -12.385 1.00 0.00 H new ATOM 525 N LYS A 36 7.597 -5.571 -12.734 1.00 0.00 N ATOM 526 CA LYS A 36 8.200 -6.712 -12.067 1.00 0.00 C ATOM 527 C LYS A 36 9.525 -6.288 -11.431 1.00 0.00 C ATOM 528 O LYS A 36 9.786 -6.620 -10.279 1.00 0.00 O ATOM 529 CB LYS A 36 8.377 -7.867 -13.054 1.00 0.00 C ATOM 530 CG LYS A 36 7.008 -8.407 -13.496 1.00 0.00 C ATOM 531 CD LYS A 36 7.070 -9.297 -14.744 1.00 0.00 C ATOM 532 CE LYS A 36 7.945 -10.546 -14.593 1.00 0.00 C ATOM 533 NZ LYS A 36 9.374 -10.264 -14.816 1.00 0.00 N ATOM 0 H LYS A 36 7.476 -5.685 -13.740 1.00 0.00 H new ATOM 0 HA LYS A 36 7.545 -7.067 -11.271 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.940 -7.528 -13.924 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.957 -8.665 -12.590 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.570 -8.976 -12.676 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.342 -7.567 -13.692 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.058 -9.607 -15.004 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.446 -8.705 -15.578 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.811 -10.961 -13.594 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.613 -11.306 -15.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.809 -11.059 -15.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.473 -9.396 -15.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.850 -10.138 -13.900 1.00 0.00 H new ATOM 547 N MET A 37 10.344 -5.525 -12.158 1.00 0.00 N ATOM 548 CA MET A 37 11.627 -5.024 -11.685 1.00 0.00 C ATOM 549 C MET A 37 11.477 -4.302 -10.343 1.00 0.00 C ATOM 550 O MET A 37 12.319 -4.483 -9.467 1.00 0.00 O ATOM 551 CB MET A 37 12.273 -4.136 -12.755 1.00 0.00 C ATOM 552 CG MET A 37 13.746 -3.839 -12.448 1.00 0.00 C ATOM 553 SD MET A 37 14.568 -2.703 -13.595 1.00 0.00 S ATOM 554 CE MET A 37 14.467 -3.630 -15.142 1.00 0.00 C ATOM 0 H MET A 37 10.125 -5.235 -13.111 1.00 0.00 H new ATOM 0 HA MET A 37 12.293 -5.869 -11.510 1.00 0.00 H new ATOM 0 HB2 MET A 37 12.197 -4.626 -13.726 1.00 0.00 H new ATOM 0 HB3 MET A 37 11.722 -3.198 -12.828 1.00 0.00 H new ATOM 0 HG2 MET A 37 13.813 -3.424 -11.442 1.00 0.00 H new ATOM 0 HG3 MET A 37 14.295 -4.781 -12.441 1.00 0.00 H new ATOM 0 HE1 MET A 37 15.069 -3.134 -15.903 1.00 0.00 H new ATOM 0 HE2 MET A 37 14.842 -4.641 -14.985 1.00 0.00 H new ATOM 0 HE3 MET A 37 13.429 -3.675 -15.472 1.00 0.00 H new ATOM 564 N ILE A 38 10.424 -3.493 -10.165 1.00 0.00 N ATOM 565 CA ILE A 38 10.202 -2.809 -8.893 1.00 0.00 C ATOM 566 C ILE A 38 9.502 -3.698 -7.854 1.00 0.00 C ATOM 567 O ILE A 38 9.467 -3.322 -6.684 1.00 0.00 O ATOM 568 CB ILE A 38 9.490 -1.453 -9.064 1.00 0.00 C ATOM 569 CG1 ILE A 38 8.047 -1.593 -9.571 1.00 0.00 C ATOM 570 CG2 ILE A 38 10.316 -0.532 -9.973 1.00 0.00 C ATOM 571 CD1 ILE A 38 7.248 -0.292 -9.449 1.00 0.00 C ATOM 0 H ILE A 38 9.722 -3.300 -10.880 1.00 0.00 H new ATOM 0 HA ILE A 38 11.194 -2.593 -8.498 1.00 0.00 H new ATOM 0 HB ILE A 38 9.416 -1.001 -8.075 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.062 -1.909 -10.614 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.543 -2.378 -9.007 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.803 0.423 -10.086 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.297 -0.366 -9.528 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.435 -0.998 -10.951 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.236 -0.450 -9.822 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.206 0.012 -8.403 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.733 0.489 -10.035 1.00 0.00 H new ATOM 583 N ALA A 39 8.950 -4.863 -8.222 1.00 0.00 N ATOM 584 CA ALA A 39 8.254 -5.735 -7.273 1.00 0.00 C ATOM 585 C ALA A 39 9.039 -5.972 -5.971 1.00 0.00 C ATOM 586 O ALA A 39 8.466 -5.772 -4.903 1.00 0.00 O ATOM 587 CB ALA A 39 7.756 -7.028 -7.928 1.00 0.00 C ATOM 0 H ALA A 39 8.974 -5.222 -9.176 1.00 0.00 H new ATOM 0 HA ALA A 39 7.361 -5.191 -6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.247 -7.640 -7.184 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.063 -6.784 -8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.604 -7.580 -8.334 1.00 0.00 H new ATOM 593 N PRO A 40 10.331 -6.350 -6.006 1.00 0.00 N ATOM 594 CA PRO A 40 11.132 -6.501 -4.797 1.00 0.00 C ATOM 595 C PRO A 40 11.132 -5.221 -3.951 1.00 0.00 C ATOM 596 O PRO A 40 11.073 -5.287 -2.724 1.00 0.00 O ATOM 597 CB PRO A 40 12.548 -6.848 -5.269 1.00 0.00 C ATOM 598 CG PRO A 40 12.321 -7.459 -6.649 1.00 0.00 C ATOM 599 CD PRO A 40 11.149 -6.634 -7.172 1.00 0.00 C ATOM 0 HA PRO A 40 10.721 -7.280 -4.155 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.182 -5.963 -5.321 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.036 -7.551 -4.594 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.201 -7.367 -7.286 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.079 -8.520 -6.591 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.495 -5.714 -7.644 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.584 -7.185 -7.924 1.00 0.00 H new ATOM 607 N ILE A 41 11.167 -4.049 -4.596 1.00 0.00 N ATOM 608 CA ILE A 41 11.127 -2.775 -3.897 1.00 0.00 C ATOM 609 C ILE A 41 9.753 -2.645 -3.240 1.00 0.00 C ATOM 610 O ILE A 41 9.676 -2.356 -2.052 1.00 0.00 O ATOM 611 CB ILE A 41 11.454 -1.587 -4.825 1.00 0.00 C ATOM 612 CG1 ILE A 41 12.776 -1.826 -5.580 1.00 0.00 C ATOM 613 CG2 ILE A 41 11.546 -0.298 -3.990 1.00 0.00 C ATOM 614 CD1 ILE A 41 13.126 -0.686 -6.540 1.00 0.00 C ATOM 0 H ILE A 41 11.224 -3.965 -5.611 1.00 0.00 H new ATOM 0 HA ILE A 41 11.902 -2.750 -3.130 1.00 0.00 H new ATOM 0 HB ILE A 41 10.658 -1.488 -5.563 1.00 0.00 H new ATOM 0 HG12 ILE A 41 13.584 -1.948 -4.859 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.705 -2.758 -6.141 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.777 0.543 -4.644 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.594 -0.119 -3.491 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.333 -0.404 -3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 41 14.067 -0.910 -7.043 1.00 0.00 H new ATOM 0 HD12 ILE A 41 12.334 -0.579 -7.282 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.227 0.244 -5.980 1.00 0.00 H new ATOM 626 N LEU A 42 8.670 -2.889 -3.984 1.00 0.00 N ATOM 627 CA LEU A 42 7.320 -2.839 -3.433 1.00 0.00 C ATOM 628 C LEU A 42 7.204 -3.781 -2.224 1.00 0.00 C ATOM 629 O LEU A 42 6.618 -3.416 -1.208 1.00 0.00 O ATOM 630 CB LEU A 42 6.271 -3.175 -4.504 1.00 0.00 C ATOM 631 CG LEU A 42 6.249 -2.210 -5.704 1.00 0.00 C ATOM 632 CD1 LEU A 42 5.176 -2.667 -6.694 1.00 0.00 C ATOM 633 CD2 LEU A 42 5.956 -0.766 -5.288 1.00 0.00 C ATOM 0 H LEU A 42 8.707 -3.124 -4.976 1.00 0.00 H new ATOM 0 HA LEU A 42 7.124 -1.822 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.455 -4.185 -4.870 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.285 -3.179 -4.040 1.00 0.00 H new ATOM 0 HG LEU A 42 7.239 -2.230 -6.159 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.155 -1.988 -7.547 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.405 -3.675 -7.039 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.203 -2.664 -6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.952 -0.127 -6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.982 -0.718 -4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.725 -0.424 -4.596 1.00 0.00 H new ATOM 645 N ASP A 43 7.786 -4.981 -2.314 1.00 0.00 N ATOM 646 CA ASP A 43 7.797 -5.946 -1.221 1.00 0.00 C ATOM 647 C ASP A 43 8.530 -5.358 -0.014 1.00 0.00 C ATOM 648 O ASP A 43 7.999 -5.334 1.096 1.00 0.00 O ATOM 649 CB ASP A 43 8.458 -7.257 -1.667 1.00 0.00 C ATOM 650 CG ASP A 43 7.600 -8.058 -2.642 1.00 0.00 C ATOM 651 OD1 ASP A 43 6.384 -8.153 -2.378 1.00 0.00 O ATOM 652 OD2 ASP A 43 8.168 -8.594 -3.618 1.00 0.00 O ATOM 0 H ASP A 43 8.264 -5.308 -3.154 1.00 0.00 H new ATOM 0 HA ASP A 43 6.768 -6.165 -0.935 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.416 -7.033 -2.135 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.667 -7.869 -0.789 1.00 0.00 H new ATOM 657 N GLU A 44 9.753 -4.872 -0.235 1.00 0.00 N ATOM 658 CA GLU A 44 10.561 -4.257 0.808 1.00 0.00 C ATOM 659 C GLU A 44 9.768 -3.134 1.480 1.00 0.00 C ATOM 660 O GLU A 44 9.685 -3.073 2.703 1.00 0.00 O ATOM 661 CB GLU A 44 11.879 -3.770 0.191 1.00 0.00 C ATOM 662 CG GLU A 44 12.855 -3.169 1.210 1.00 0.00 C ATOM 663 CD GLU A 44 13.231 -4.131 2.332 1.00 0.00 C ATOM 664 OE1 GLU A 44 13.469 -5.316 2.014 1.00 0.00 O ATOM 665 OE2 GLU A 44 13.286 -3.658 3.487 1.00 0.00 O ATOM 0 H GLU A 44 10.208 -4.896 -1.147 1.00 0.00 H new ATOM 0 HA GLU A 44 10.807 -4.978 1.587 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.364 -4.606 -0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.658 -3.023 -0.571 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.761 -2.855 0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.410 -2.274 1.644 1.00 0.00 H new ATOM 672 N ILE A 45 9.150 -2.262 0.681 1.00 0.00 N ATOM 673 CA ILE A 45 8.307 -1.180 1.165 1.00 0.00 C ATOM 674 C ILE A 45 7.179 -1.755 2.023 1.00 0.00 C ATOM 675 O ILE A 45 6.963 -1.284 3.135 1.00 0.00 O ATOM 676 CB ILE A 45 7.776 -0.365 -0.025 1.00 0.00 C ATOM 677 CG1 ILE A 45 8.881 0.467 -0.699 1.00 0.00 C ATOM 678 CG2 ILE A 45 6.574 0.514 0.344 1.00 0.00 C ATOM 679 CD1 ILE A 45 9.435 1.627 0.128 1.00 0.00 C ATOM 0 H ILE A 45 9.226 -2.293 -0.336 1.00 0.00 H new ATOM 0 HA ILE A 45 8.886 -0.502 1.793 1.00 0.00 H new ATOM 0 HB ILE A 45 7.424 -1.099 -0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.705 -0.198 -0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.490 0.866 -1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.243 1.066 -0.536 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.760 -0.115 0.705 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.863 1.217 1.125 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.207 2.144 -0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.630 2.323 0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.864 1.242 1.053 1.00 0.00 H new ATOM 691 N ALA A 46 6.464 -2.768 1.525 1.00 0.00 N ATOM 692 CA ALA A 46 5.381 -3.401 2.269 1.00 0.00 C ATOM 693 C ALA A 46 5.878 -3.840 3.648 1.00 0.00 C ATOM 694 O ALA A 46 5.205 -3.621 4.653 1.00 0.00 O ATOM 695 CB ALA A 46 4.800 -4.576 1.475 1.00 0.00 C ATOM 0 H ALA A 46 6.621 -3.168 0.600 1.00 0.00 H new ATOM 0 HA ALA A 46 4.578 -2.678 2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.993 -5.037 2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.411 -4.215 0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.582 -5.313 1.292 1.00 0.00 H new ATOM 701 N ASP A 47 7.073 -4.438 3.699 1.00 0.00 N ATOM 702 CA ASP A 47 7.668 -4.853 4.960 1.00 0.00 C ATOM 703 C ASP A 47 7.994 -3.642 5.845 1.00 0.00 C ATOM 704 O ASP A 47 7.628 -3.624 7.017 1.00 0.00 O ATOM 705 CB ASP A 47 8.914 -5.707 4.705 1.00 0.00 C ATOM 706 CG ASP A 47 9.499 -6.199 6.022 1.00 0.00 C ATOM 707 OD1 ASP A 47 8.925 -7.167 6.567 1.00 0.00 O ATOM 708 OD2 ASP A 47 10.501 -5.595 6.464 1.00 0.00 O ATOM 0 H ASP A 47 7.642 -4.643 2.878 1.00 0.00 H new ATOM 0 HA ASP A 47 6.941 -5.462 5.498 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.657 -6.558 4.074 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.659 -5.123 4.165 1.00 0.00 H new ATOM 713 N GLU A 48 8.694 -2.642 5.302 1.00 0.00 N ATOM 714 CA GLU A 48 9.126 -1.446 6.017 1.00 0.00 C ATOM 715 C GLU A 48 7.968 -0.620 6.588 1.00 0.00 C ATOM 716 O GLU A 48 8.054 -0.145 7.719 1.00 0.00 O ATOM 717 CB GLU A 48 9.967 -0.568 5.080 1.00 0.00 C ATOM 718 CG GLU A 48 11.366 -1.135 4.806 1.00 0.00 C ATOM 719 CD GLU A 48 12.128 -0.264 3.807 1.00 0.00 C ATOM 720 OE1 GLU A 48 11.570 -0.024 2.715 1.00 0.00 O ATOM 721 OE2 GLU A 48 13.250 0.170 4.151 1.00 0.00 O ATOM 0 H GLU A 48 8.982 -2.646 4.324 1.00 0.00 H new ATOM 0 HA GLU A 48 9.715 -1.786 6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.439 -0.450 4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.065 0.426 5.516 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.926 -1.197 5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.281 -2.150 4.417 1.00 0.00 H new ATOM 728 N TYR A 49 6.914 -0.417 5.796 1.00 0.00 N ATOM 729 CA TYR A 49 5.758 0.406 6.144 1.00 0.00 C ATOM 730 C TYR A 49 4.589 -0.434 6.673 1.00 0.00 C ATOM 731 O TYR A 49 3.428 -0.046 6.527 1.00 0.00 O ATOM 732 CB TYR A 49 5.339 1.241 4.919 1.00 0.00 C ATOM 733 CG TYR A 49 6.309 2.340 4.521 1.00 0.00 C ATOM 734 CD1 TYR A 49 7.502 2.024 3.851 1.00 0.00 C ATOM 735 CD2 TYR A 49 6.001 3.686 4.789 1.00 0.00 C ATOM 736 CE1 TYR A 49 8.408 3.037 3.503 1.00 0.00 C ATOM 737 CE2 TYR A 49 6.907 4.704 4.441 1.00 0.00 C ATOM 738 CZ TYR A 49 8.116 4.377 3.799 1.00 0.00 C ATOM 739 OH TYR A 49 9.014 5.342 3.464 1.00 0.00 O ATOM 0 H TYR A 49 6.840 -0.834 4.868 1.00 0.00 H new ATOM 0 HA TYR A 49 6.044 1.076 6.955 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.207 0.570 4.070 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.368 1.692 5.122 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.723 0.996 3.602 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.065 3.939 5.264 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.333 2.785 3.006 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.675 5.735 4.666 1.00 0.00 H new ATOM 0 HH TYR A 49 8.675 6.217 3.747 1.00 0.00 H new ATOM 749 N GLN A 50 4.876 -1.575 7.304 1.00 0.00 N ATOM 750 CA GLN A 50 3.858 -2.450 7.861 1.00 0.00 C ATOM 751 C GLN A 50 2.853 -1.668 8.712 1.00 0.00 C ATOM 752 O GLN A 50 3.239 -0.828 9.521 1.00 0.00 O ATOM 753 CB GLN A 50 4.512 -3.614 8.623 1.00 0.00 C ATOM 754 CG GLN A 50 5.044 -3.277 10.028 1.00 0.00 C ATOM 755 CD GLN A 50 6.036 -2.116 10.073 1.00 0.00 C ATOM 756 OE1 GLN A 50 5.881 -1.179 10.850 1.00 0.00 O ATOM 757 NE2 GLN A 50 7.084 -2.173 9.263 1.00 0.00 N ATOM 0 H GLN A 50 5.828 -1.914 7.440 1.00 0.00 H new ATOM 0 HA GLN A 50 3.283 -2.885 7.043 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.783 -4.419 8.714 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.338 -3.998 8.024 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.199 -3.040 10.675 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.524 -4.164 10.442 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.193 -2.961 8.625 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.781 -1.429 9.278 1.00 0.00 H new ATOM 766 N GLY A 51 1.556 -1.895 8.504 1.00 0.00 N ATOM 767 CA GLY A 51 0.517 -1.197 9.250 1.00 0.00 C ATOM 768 C GLY A 51 0.302 0.257 8.814 1.00 0.00 C ATOM 769 O GLY A 51 -0.758 0.808 9.098 1.00 0.00 O ATOM 0 H GLY A 51 1.201 -2.563 7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.421 -1.740 9.140 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.772 -1.213 10.310 1.00 0.00 H new ATOM 773 N LYS A 52 1.261 0.885 8.122 1.00 0.00 N ATOM 774 CA LYS A 52 1.136 2.265 7.671 1.00 0.00 C ATOM 775 C LYS A 52 0.711 2.295 6.207 1.00 0.00 C ATOM 776 O LYS A 52 -0.124 3.112 5.828 1.00 0.00 O ATOM 777 CB LYS A 52 2.467 3.013 7.823 1.00 0.00 C ATOM 778 CG LYS A 52 3.067 2.893 9.228 1.00 0.00 C ATOM 779 CD LYS A 52 4.109 3.990 9.493 1.00 0.00 C ATOM 780 CE LYS A 52 5.158 4.099 8.379 1.00 0.00 C ATOM 781 NZ LYS A 52 6.273 4.980 8.770 1.00 0.00 N ATOM 0 H LYS A 52 2.144 0.445 7.862 1.00 0.00 H new ATOM 0 HA LYS A 52 0.383 2.756 8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.180 2.625 7.096 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.314 4.066 7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.272 2.958 9.971 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.531 1.914 9.344 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.601 4.948 9.601 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.611 3.786 10.439 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.543 3.107 8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.689 4.484 7.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.964 5.031 7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.908 5.933 8.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.735 4.599 9.620 1.00 0.00 H new ATOM 795 N LEU A 53 1.295 1.415 5.386 1.00 0.00 N ATOM 796 CA LEU A 53 1.022 1.343 3.962 1.00 0.00 C ATOM 797 C LEU A 53 0.713 -0.098 3.578 1.00 0.00 C ATOM 798 O LEU A 53 1.552 -0.983 3.733 1.00 0.00 O ATOM 799 CB LEU A 53 2.249 1.844 3.194 1.00 0.00 C ATOM 800 CG LEU A 53 1.941 2.115 1.715 1.00 0.00 C ATOM 801 CD1 LEU A 53 1.281 3.490 1.553 1.00 0.00 C ATOM 802 CD2 LEU A 53 3.257 2.067 0.940 1.00 0.00 C ATOM 0 H LEU A 53 1.978 0.728 5.704 1.00 0.00 H new ATOM 0 HA LEU A 53 0.163 1.966 3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.618 2.758 3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.047 1.105 3.267 1.00 0.00 H new ATOM 0 HG LEU A 53 1.251 1.363 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.068 3.669 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.351 3.516 2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.954 4.263 1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.065 2.257 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.935 2.827 1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.711 1.083 1.055 1.00 0.00 H new ATOM 814 N THR A 54 -0.487 -0.330 3.050 1.00 0.00 N ATOM 815 CA THR A 54 -0.921 -1.633 2.589 1.00 0.00 C ATOM 816 C THR A 54 -0.645 -1.676 1.082 1.00 0.00 C ATOM 817 O THR A 54 -1.345 -1.050 0.291 1.00 0.00 O ATOM 818 CB THR A 54 -2.394 -1.776 2.981 1.00 0.00 C ATOM 819 OG1 THR A 54 -2.489 -1.767 4.391 1.00 0.00 O ATOM 820 CG2 THR A 54 -3.043 -3.058 2.464 1.00 0.00 C ATOM 0 H THR A 54 -1.191 0.398 2.932 1.00 0.00 H new ATOM 0 HA THR A 54 -0.396 -2.479 3.034 1.00 0.00 H new ATOM 0 HB THR A 54 -2.925 -0.940 2.525 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.428 -1.856 4.656 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.086 -3.091 2.780 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.993 -3.078 1.375 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.514 -3.922 2.867 1.00 0.00 H new ATOM 828 N VAL A 55 0.411 -2.375 0.669 1.00 0.00 N ATOM 829 CA VAL A 55 0.800 -2.421 -0.732 1.00 0.00 C ATOM 830 C VAL A 55 -0.093 -3.410 -1.486 1.00 0.00 C ATOM 831 O VAL A 55 -0.485 -4.445 -0.948 1.00 0.00 O ATOM 832 CB VAL A 55 2.292 -2.778 -0.834 1.00 0.00 C ATOM 833 CG1 VAL A 55 2.776 -2.834 -2.286 1.00 0.00 C ATOM 834 CG2 VAL A 55 3.144 -1.734 -0.099 1.00 0.00 C ATOM 0 H VAL A 55 1.012 -2.917 1.290 1.00 0.00 H new ATOM 0 HA VAL A 55 0.662 -1.445 -1.198 1.00 0.00 H new ATOM 0 HB VAL A 55 2.404 -3.763 -0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.835 -3.090 -2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.209 -3.590 -2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.628 -1.862 -2.757 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.198 -2.001 -0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.983 -0.753 -0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.857 -1.705 0.952 1.00 0.00 H new ATOM 844 N ALA A 56 -0.420 -3.096 -2.739 1.00 0.00 N ATOM 845 CA ALA A 56 -1.237 -3.929 -3.599 1.00 0.00 C ATOM 846 C ALA A 56 -0.664 -3.900 -5.016 1.00 0.00 C ATOM 847 O ALA A 56 -0.032 -2.918 -5.402 1.00 0.00 O ATOM 848 CB ALA A 56 -2.688 -3.453 -3.546 1.00 0.00 C ATOM 0 H ALA A 56 -0.113 -2.233 -3.188 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.224 -4.964 -3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.301 -4.081 -4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.056 -3.520 -2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.744 -2.419 -3.885 1.00 0.00 H new ATOM 854 N LYS A 57 -0.869 -4.971 -5.783 1.00 0.00 N ATOM 855 CA LYS A 57 -0.395 -5.111 -7.158 1.00 0.00 C ATOM 856 C LYS A 57 -1.558 -5.634 -8.000 1.00 0.00 C ATOM 857 O LYS A 57 -1.868 -6.821 -7.946 1.00 0.00 O ATOM 858 CB LYS A 57 0.817 -6.051 -7.215 1.00 0.00 C ATOM 859 CG LYS A 57 2.117 -5.365 -6.779 1.00 0.00 C ATOM 860 CD LYS A 57 3.273 -6.377 -6.685 1.00 0.00 C ATOM 861 CE LYS A 57 3.866 -6.810 -8.025 1.00 0.00 C ATOM 862 NZ LYS A 57 4.382 -5.684 -8.827 1.00 0.00 N ATOM 0 H LYS A 57 -1.384 -5.788 -5.454 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.064 -4.150 -7.553 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.633 -6.914 -6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.933 -6.427 -8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.374 -4.580 -7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.971 -4.884 -5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.067 -5.943 -6.077 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.918 -7.263 -6.159 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.674 -7.519 -7.845 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.103 -7.336 -8.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.661 -6.027 -9.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.641 -4.961 -8.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.208 -5.269 -8.351 1.00 0.00 H new ATOM 876 N LEU A 58 -2.194 -4.770 -8.796 1.00 0.00 N ATOM 877 CA LEU A 58 -3.357 -5.142 -9.596 1.00 0.00 C ATOM 878 C LEU A 58 -2.947 -5.436 -11.034 1.00 0.00 C ATOM 879 O LEU A 58 -2.403 -4.573 -11.724 1.00 0.00 O ATOM 880 CB LEU A 58 -4.410 -4.032 -9.501 1.00 0.00 C ATOM 881 CG LEU A 58 -5.697 -4.372 -10.275 1.00 0.00 C ATOM 882 CD1 LEU A 58 -6.893 -3.802 -9.516 1.00 0.00 C ATOM 883 CD2 LEU A 58 -5.694 -3.771 -11.687 1.00 0.00 C ATOM 0 H LEU A 58 -1.915 -3.795 -8.902 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.799 -6.059 -9.207 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.655 -3.857 -8.453 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.991 -3.104 -9.889 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.757 -5.457 -10.363 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.811 -4.036 -10.055 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.935 -4.242 -8.519 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.788 -2.720 -9.431 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.620 -4.036 -12.197 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.614 -2.686 -11.620 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.846 -4.164 -12.248 1.00 0.00 H new ATOM 895 N ASN A 59 -3.203 -6.672 -11.478 1.00 0.00 N ATOM 896 CA ASN A 59 -2.870 -7.101 -12.826 1.00 0.00 C ATOM 897 C ASN A 59 -3.925 -6.613 -13.819 1.00 0.00 C ATOM 898 O ASN A 59 -5.030 -7.159 -13.874 1.00 0.00 O ATOM 899 CB ASN A 59 -2.733 -8.623 -12.914 1.00 0.00 C ATOM 900 CG ASN A 59 -2.538 -9.023 -14.372 1.00 0.00 C ATOM 901 OD1 ASN A 59 -3.320 -9.791 -14.919 1.00 0.00 O ATOM 902 ND2 ASN A 59 -1.530 -8.465 -15.032 1.00 0.00 N ATOM 0 H ASN A 59 -3.645 -7.394 -10.910 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.907 -6.660 -13.082 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.887 -8.960 -12.315 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.622 -9.105 -12.508 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.391 -8.672 -16.021 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.895 -7.829 -14.550 1.00 0.00 H new ATOM 909 N ILE A 60 -3.575 -5.606 -14.617 1.00 0.00 N ATOM 910 CA ILE A 60 -4.456 -5.024 -15.618 1.00 0.00 C ATOM 911 C ILE A 60 -4.832 -6.019 -16.717 1.00 0.00 C ATOM 912 O ILE A 60 -5.898 -5.883 -17.306 1.00 0.00 O ATOM 913 CB ILE A 60 -3.863 -3.723 -16.189 1.00 0.00 C ATOM 914 CG1 ILE A 60 -2.592 -3.946 -17.030 1.00 0.00 C ATOM 915 CG2 ILE A 60 -3.586 -2.729 -15.050 1.00 0.00 C ATOM 916 CD1 ILE A 60 -2.890 -3.993 -18.533 1.00 0.00 C ATOM 0 H ILE A 60 -2.655 -5.167 -14.583 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.388 -4.767 -15.115 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.608 -3.311 -16.869 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.880 -3.146 -16.828 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.117 -4.879 -16.727 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.167 -1.811 -15.462 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.517 -2.502 -14.531 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.877 -3.168 -14.348 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.962 -4.152 -19.083 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.580 -4.810 -18.742 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.339 -3.050 -18.844 1.00 0.00 H new ATOM 928 N ASP A 61 -3.988 -7.020 -17.011 1.00 0.00 N ATOM 929 CA ASP A 61 -4.320 -7.993 -18.054 1.00 0.00 C ATOM 930 C ASP A 61 -5.615 -8.710 -17.684 1.00 0.00 C ATOM 931 O ASP A 61 -6.545 -8.781 -18.482 1.00 0.00 O ATOM 932 CB ASP A 61 -3.200 -9.015 -18.287 1.00 0.00 C ATOM 933 CG ASP A 61 -1.870 -8.371 -18.642 1.00 0.00 C ATOM 934 OD1 ASP A 61 -1.773 -7.803 -19.752 1.00 0.00 O ATOM 935 OD2 ASP A 61 -0.968 -8.460 -17.780 1.00 0.00 O ATOM 0 H ASP A 61 -3.091 -7.173 -16.551 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.446 -7.444 -18.987 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.076 -9.620 -17.389 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.495 -9.692 -19.089 1.00 0.00 H new ATOM 940 N GLN A 62 -5.671 -9.238 -16.459 1.00 0.00 N ATOM 941 CA GLN A 62 -6.854 -9.913 -15.951 1.00 0.00 C ATOM 942 C GLN A 62 -7.944 -8.900 -15.595 1.00 0.00 C ATOM 943 O GLN A 62 -9.126 -9.214 -15.699 1.00 0.00 O ATOM 944 CB GLN A 62 -6.470 -10.764 -14.734 1.00 0.00 C ATOM 945 CG GLN A 62 -5.690 -12.009 -15.175 1.00 0.00 C ATOM 946 CD GLN A 62 -5.037 -12.705 -13.988 1.00 0.00 C ATOM 947 OE1 GLN A 62 -5.558 -13.681 -13.462 1.00 0.00 O ATOM 948 NE2 GLN A 62 -3.885 -12.203 -13.559 1.00 0.00 N ATOM 0 H GLN A 62 -4.896 -9.207 -15.797 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.256 -10.567 -16.725 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.865 -10.173 -14.046 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.368 -11.063 -14.193 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.363 -12.702 -15.680 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.925 -11.724 -15.897 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.480 -11.389 -14.021 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.405 -12.632 -12.767 1.00 0.00 H new ATOM 957 N ASN A 63 -7.553 -7.700 -15.151 1.00 0.00 N ATOM 958 CA ASN A 63 -8.478 -6.658 -14.706 1.00 0.00 C ATOM 959 C ASN A 63 -8.359 -5.393 -15.562 1.00 0.00 C ATOM 960 O ASN A 63 -7.927 -4.355 -15.057 1.00 0.00 O ATOM 961 CB ASN A 63 -8.190 -6.343 -13.234 1.00 0.00 C ATOM 962 CG ASN A 63 -8.223 -7.595 -12.371 1.00 0.00 C ATOM 963 OD1 ASN A 63 -9.278 -7.989 -11.882 1.00 0.00 O ATOM 964 ND2 ASN A 63 -7.069 -8.230 -12.185 1.00 0.00 N ATOM 0 H ASN A 63 -6.573 -7.424 -15.091 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.500 -7.021 -14.817 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.212 -5.868 -13.148 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.925 -5.628 -12.865 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.039 -9.078 -11.618 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.214 -7.869 -12.609 1.00 0.00 H new ATOM 971 N PRO A 64 -8.745 -5.433 -16.846 1.00 0.00 N ATOM 972 CA PRO A 64 -8.638 -4.278 -17.719 1.00 0.00 C ATOM 973 C PRO A 64 -9.554 -3.154 -17.242 1.00 0.00 C ATOM 974 O PRO A 64 -9.139 -2.001 -17.191 1.00 0.00 O ATOM 975 CB PRO A 64 -8.998 -4.782 -19.120 1.00 0.00 C ATOM 976 CG PRO A 64 -9.869 -6.012 -18.861 1.00 0.00 C ATOM 977 CD PRO A 64 -9.289 -6.576 -17.563 1.00 0.00 C ATOM 0 HA PRO A 64 -7.636 -3.850 -17.718 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -9.537 -4.025 -19.690 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.107 -5.038 -19.693 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.920 -5.746 -18.751 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.805 -6.731 -19.678 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.058 -7.077 -16.975 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.514 -7.314 -17.769 1.00 0.00 H new ATOM 985 N GLY A 65 -10.797 -3.498 -16.885 1.00 0.00 N ATOM 986 CA GLY A 65 -11.829 -2.574 -16.431 1.00 0.00 C ATOM 987 C GLY A 65 -11.342 -1.531 -15.424 1.00 0.00 C ATOM 988 O GLY A 65 -11.783 -0.386 -15.464 1.00 0.00 O ATOM 0 H GLY A 65 -11.118 -4.466 -16.907 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.245 -2.059 -17.297 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.640 -3.146 -15.980 1.00 0.00 H new ATOM 992 N THR A 66 -10.447 -1.906 -14.510 1.00 0.00 N ATOM 993 CA THR A 66 -9.948 -1.002 -13.488 1.00 0.00 C ATOM 994 C THR A 66 -9.052 0.110 -14.053 1.00 0.00 C ATOM 995 O THR A 66 -8.924 1.166 -13.436 1.00 0.00 O ATOM 996 CB THR A 66 -9.242 -1.835 -12.410 1.00 0.00 C ATOM 997 OG1 THR A 66 -9.842 -3.114 -12.323 1.00 0.00 O ATOM 998 CG2 THR A 66 -9.349 -1.159 -11.039 1.00 0.00 C ATOM 0 H THR A 66 -10.051 -2.845 -14.462 1.00 0.00 H new ATOM 0 HA THR A 66 -10.790 -0.471 -13.044 1.00 0.00 H new ATOM 0 HB THR A 66 -8.192 -1.924 -12.689 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.804 -3.014 -12.163 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.841 -1.769 -10.292 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.883 -0.174 -11.081 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.399 -1.052 -10.767 1.00 0.00 H new ATOM 1006 N ALA A 67 -8.422 -0.100 -15.215 1.00 0.00 N ATOM 1007 CA ALA A 67 -7.535 0.891 -15.817 1.00 0.00 C ATOM 1008 C ALA A 67 -8.238 2.225 -16.135 1.00 0.00 C ATOM 1009 O ALA A 67 -7.812 3.257 -15.613 1.00 0.00 O ATOM 1010 CB ALA A 67 -6.785 0.296 -17.014 1.00 0.00 C ATOM 0 H ALA A 67 -8.515 -0.958 -15.759 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.787 1.153 -15.069 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.130 1.053 -17.446 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.188 -0.554 -16.683 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.502 -0.035 -17.765 1.00 0.00 H new ATOM 1016 N PRO A 68 -9.294 2.261 -16.971 1.00 0.00 N ATOM 1017 CA PRO A 68 -9.987 3.500 -17.293 1.00 0.00 C ATOM 1018 C PRO A 68 -10.623 4.150 -16.060 1.00 0.00 C ATOM 1019 O PRO A 68 -10.658 5.376 -15.993 1.00 0.00 O ATOM 1020 CB PRO A 68 -11.033 3.147 -18.353 1.00 0.00 C ATOM 1021 CG PRO A 68 -11.291 1.662 -18.112 1.00 0.00 C ATOM 1022 CD PRO A 68 -9.911 1.160 -17.692 1.00 0.00 C ATOM 0 HA PRO A 68 -9.284 4.243 -17.670 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.941 3.737 -18.234 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.662 3.332 -19.361 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.038 1.499 -17.335 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.651 1.160 -19.010 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.992 0.275 -17.061 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.316 0.879 -18.561 1.00 0.00 H new ATOM 1030 N LYS A 69 -11.108 3.365 -15.086 1.00 0.00 N ATOM 1031 CA LYS A 69 -11.727 3.906 -13.873 1.00 0.00 C ATOM 1032 C LYS A 69 -10.870 5.002 -13.234 1.00 0.00 C ATOM 1033 O LYS A 69 -11.394 6.031 -12.817 1.00 0.00 O ATOM 1034 CB LYS A 69 -12.010 2.798 -12.854 1.00 0.00 C ATOM 1035 CG LYS A 69 -13.174 1.913 -13.309 1.00 0.00 C ATOM 1036 CD LYS A 69 -13.501 0.872 -12.232 1.00 0.00 C ATOM 1037 CE LYS A 69 -14.447 -0.201 -12.780 1.00 0.00 C ATOM 1038 NZ LYS A 69 -15.760 0.355 -13.147 1.00 0.00 N ATOM 0 H LYS A 69 -11.081 2.346 -15.119 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.674 4.353 -14.176 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.117 2.188 -12.718 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.243 3.241 -11.886 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.051 2.528 -13.509 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.916 1.413 -14.242 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.581 0.406 -11.879 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.959 1.363 -11.373 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.995 -0.670 -13.654 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.581 -0.982 -12.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.380 -0.410 -13.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -16.189 0.810 -12.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.640 1.058 -13.904 1.00 0.00 H new ATOM 1130 N ILE A 75 1.811 2.083 -16.995 1.00 0.00 N ATOM 1131 CA ILE A 75 2.198 1.190 -15.909 1.00 0.00 C ATOM 1132 C ILE A 75 3.730 1.141 -15.779 1.00 0.00 C ATOM 1133 O ILE A 75 4.416 1.266 -16.793 1.00 0.00 O ATOM 1134 CB ILE A 75 1.569 -0.203 -16.120 1.00 0.00 C ATOM 1135 CG1 ILE A 75 1.984 -0.842 -17.457 1.00 0.00 C ATOM 1136 CG2 ILE A 75 0.041 -0.104 -16.003 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.441 -2.264 -17.597 1.00 0.00 C ATOM 0 HA ILE A 75 1.815 1.573 -14.963 1.00 0.00 H new ATOM 0 HB ILE A 75 1.948 -0.861 -15.338 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.618 -0.230 -18.282 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.071 -0.859 -17.530 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.400 -1.090 -16.153 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.225 0.266 -15.013 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.338 0.582 -16.761 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.755 -2.681 -18.554 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.828 -2.882 -16.787 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.352 -2.244 -17.550 1.00 0.00 H new ATOM 1149 N PRO A 76 4.297 0.957 -14.573 1.00 0.00 N ATOM 1150 CA PRO A 76 3.608 0.803 -13.298 1.00 0.00 C ATOM 1151 C PRO A 76 2.984 2.126 -12.857 1.00 0.00 C ATOM 1152 O PRO A 76 3.634 3.167 -12.931 1.00 0.00 O ATOM 1153 CB PRO A 76 4.681 0.363 -12.295 1.00 0.00 C ATOM 1154 CG PRO A 76 5.974 0.923 -12.878 1.00 0.00 C ATOM 1155 CD PRO A 76 5.737 0.881 -14.387 1.00 0.00 C ATOM 0 HA PRO A 76 2.798 0.077 -13.370 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.485 0.761 -11.299 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.721 -0.722 -12.202 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.164 1.939 -12.530 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.837 0.322 -12.591 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.238 1.712 -14.883 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.138 -0.036 -14.819 1.00 0.00 H new ATOM 1163 N THR A 77 1.726 2.085 -12.404 1.00 0.00 N ATOM 1164 CA THR A 77 1.030 3.268 -11.911 1.00 0.00 C ATOM 1165 C THR A 77 0.815 3.009 -10.422 1.00 0.00 C ATOM 1166 O THR A 77 0.126 2.047 -10.085 1.00 0.00 O ATOM 1167 CB THR A 77 -0.314 3.462 -12.634 1.00 0.00 C ATOM 1168 OG1 THR A 77 -0.269 2.930 -13.939 1.00 0.00 O ATOM 1169 CG2 THR A 77 -0.614 4.960 -12.776 1.00 0.00 C ATOM 0 H THR A 77 1.168 1.232 -12.371 1.00 0.00 H new ATOM 0 HA THR A 77 1.602 4.178 -12.089 1.00 0.00 H new ATOM 0 HB THR A 77 -1.077 2.954 -12.045 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.135 3.064 -14.377 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.567 5.093 -13.289 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.667 5.416 -11.787 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.178 5.437 -13.353 1.00 0.00 H new ATOM 1177 N LEU A 78 1.419 3.807 -9.536 1.00 0.00 N ATOM 1178 CA LEU A 78 1.330 3.627 -8.095 1.00 0.00 C ATOM 1179 C LEU A 78 0.265 4.582 -7.563 1.00 0.00 C ATOM 1180 O LEU A 78 0.562 5.749 -7.305 1.00 0.00 O ATOM 1181 CB LEU A 78 2.702 3.875 -7.445 1.00 0.00 C ATOM 1182 CG LEU A 78 3.884 3.172 -8.136 1.00 0.00 C ATOM 1183 CD1 LEU A 78 5.177 3.477 -7.374 1.00 0.00 C ATOM 1184 CD2 LEU A 78 3.688 1.655 -8.187 1.00 0.00 C ATOM 0 H LEU A 78 1.990 4.606 -9.810 1.00 0.00 H new ATOM 0 HA LEU A 78 1.043 2.605 -7.849 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.893 4.948 -7.433 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.660 3.547 -6.406 1.00 0.00 H new ATOM 0 HG LEU A 78 3.942 3.547 -9.158 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.014 2.979 -7.864 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.349 4.553 -7.366 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.089 3.116 -6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.543 1.194 -8.682 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.602 1.265 -7.173 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.779 1.424 -8.743 1.00 0.00 H new ATOM 1196 N LEU A 79 -0.974 4.102 -7.427 1.00 0.00 N ATOM 1197 CA LEU A 79 -2.098 4.898 -6.951 1.00 0.00 C ATOM 1198 C LEU A 79 -2.202 4.736 -5.436 1.00 0.00 C ATOM 1199 O LEU A 79 -2.474 3.638 -4.952 1.00 0.00 O ATOM 1200 CB LEU A 79 -3.405 4.464 -7.626 1.00 0.00 C ATOM 1201 CG LEU A 79 -3.570 4.955 -9.072 1.00 0.00 C ATOM 1202 CD1 LEU A 79 -2.570 4.320 -10.037 1.00 0.00 C ATOM 1203 CD2 LEU A 79 -4.995 4.679 -9.554 1.00 0.00 C ATOM 0 H LEU A 79 -1.223 3.138 -7.648 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.931 5.945 -7.203 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.459 3.375 -7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.244 4.830 -7.034 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.371 6.027 -9.066 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.738 4.707 -11.042 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.555 4.561 -9.720 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.702 3.238 -10.038 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.106 5.029 -10.580 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.192 3.608 -9.513 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.704 5.203 -8.913 1.00 0.00 H new ATOM 1215 N LEU A 80 -1.984 5.822 -4.692 1.00 0.00 N ATOM 1216 CA LEU A 80 -2.033 5.824 -3.240 1.00 0.00 C ATOM 1217 C LEU A 80 -3.429 6.239 -2.777 1.00 0.00 C ATOM 1218 O LEU A 80 -3.748 7.425 -2.761 1.00 0.00 O ATOM 1219 CB LEU A 80 -0.920 6.741 -2.718 1.00 0.00 C ATOM 1220 CG LEU A 80 -0.758 6.768 -1.189 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -1.045 5.429 -0.498 1.00 0.00 C ATOM 1222 CD2 LEU A 80 0.690 7.158 -0.882 1.00 0.00 C ATOM 0 H LEU A 80 -1.766 6.734 -5.093 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.856 4.829 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.025 6.428 -3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.115 7.756 -3.065 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.489 7.479 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.907 5.538 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.072 5.126 -0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.360 4.670 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.838 7.186 0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.365 6.424 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.899 8.142 -1.303 1.00 0.00 H new ATOM 1234 N PHE A 81 -4.256 5.262 -2.405 1.00 0.00 N ATOM 1235 CA PHE A 81 -5.623 5.450 -1.941 1.00 0.00 C ATOM 1236 C PHE A 81 -5.669 5.528 -0.415 1.00 0.00 C ATOM 1237 O PHE A 81 -5.492 4.512 0.255 1.00 0.00 O ATOM 1238 CB PHE A 81 -6.486 4.264 -2.396 1.00 0.00 C ATOM 1239 CG PHE A 81 -6.835 4.245 -3.871 1.00 0.00 C ATOM 1240 CD1 PHE A 81 -5.953 3.664 -4.799 1.00 0.00 C ATOM 1241 CD2 PHE A 81 -8.114 4.657 -4.293 1.00 0.00 C ATOM 1242 CE1 PHE A 81 -6.346 3.503 -6.138 1.00 0.00 C ATOM 1243 CE2 PHE A 81 -8.503 4.503 -5.633 1.00 0.00 C ATOM 1244 CZ PHE A 81 -7.600 3.970 -6.566 1.00 0.00 C ATOM 0 H PHE A 81 -3.977 4.281 -2.421 1.00 0.00 H new ATOM 0 HA PHE A 81 -6.003 6.381 -2.361 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.962 3.340 -2.152 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.412 4.268 -1.820 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.972 3.341 -4.482 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.799 5.094 -3.582 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.683 3.019 -6.840 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.495 4.794 -5.945 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.869 3.919 -7.611 1.00 0.00 H new ATOM 1297 N GLU A 85 -9.785 7.647 -1.078 1.00 0.00 N ATOM 1298 CA GLU A 85 -9.415 8.916 -1.680 1.00 0.00 C ATOM 1299 C GLU A 85 -8.024 8.812 -2.308 1.00 0.00 C ATOM 1300 O GLU A 85 -7.035 8.639 -1.595 1.00 0.00 O ATOM 1301 CB GLU A 85 -9.463 10.030 -0.625 1.00 0.00 C ATOM 1302 CG GLU A 85 -10.814 10.089 0.109 1.00 0.00 C ATOM 1303 CD GLU A 85 -11.982 10.293 -0.852 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -12.094 11.424 -1.372 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -12.730 9.314 -1.061 1.00 0.00 O ATOM 0 HA GLU A 85 -10.126 9.162 -2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.665 9.873 0.101 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.272 10.990 -1.106 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.963 9.165 0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.796 10.902 0.835 1.00 0.00 H new ATOM 1312 N VAL A 86 -7.937 8.924 -3.636 1.00 0.00 N ATOM 1313 CA VAL A 86 -6.663 8.902 -4.343 1.00 0.00 C ATOM 1314 C VAL A 86 -5.862 10.138 -3.924 1.00 0.00 C ATOM 1315 O VAL A 86 -6.193 11.253 -4.318 1.00 0.00 O ATOM 1316 CB VAL A 86 -6.889 8.862 -5.866 1.00 0.00 C ATOM 1317 CG1 VAL A 86 -5.550 8.854 -6.619 1.00 0.00 C ATOM 1318 CG2 VAL A 86 -7.654 7.600 -6.274 1.00 0.00 C ATOM 0 H VAL A 86 -8.748 9.032 -4.246 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.102 8.004 -4.084 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.464 9.752 -6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.736 8.826 -7.693 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.988 9.755 -6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.974 7.976 -6.327 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.800 7.596 -7.354 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.083 6.718 -5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.624 7.586 -5.776 1.00 0.00 H new ATOM 1328 N ALA A 87 -4.812 9.942 -3.125 1.00 0.00 N ATOM 1329 CA ALA A 87 -3.960 11.015 -2.636 1.00 0.00 C ATOM 1330 C ALA A 87 -2.973 11.435 -3.725 1.00 0.00 C ATOM 1331 O ALA A 87 -2.758 12.626 -3.938 1.00 0.00 O ATOM 1332 CB ALA A 87 -3.221 10.545 -1.381 1.00 0.00 C ATOM 0 H ALA A 87 -4.530 9.018 -2.797 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.570 11.881 -2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.582 11.348 -1.013 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.945 10.276 -0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.609 9.676 -1.623 1.00 0.00 H new ATOM 1338 N ALA A 88 -2.379 10.462 -4.421 1.00 0.00 N ATOM 1339 CA ALA A 88 -1.432 10.709 -5.497 1.00 0.00 C ATOM 1340 C ALA A 88 -1.331 9.465 -6.373 1.00 0.00 C ATOM 1341 O ALA A 88 -1.693 8.370 -5.937 1.00 0.00 O ATOM 1342 CB ALA A 88 -0.060 11.074 -4.924 1.00 0.00 C ATOM 0 H ALA A 88 -2.548 9.471 -4.247 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.781 11.546 -6.102 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.639 11.256 -5.741 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.148 11.973 -4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.307 10.253 -4.309 1.00 0.00 H new ATOM 1348 N THR A 89 -0.847 9.645 -7.607 1.00 0.00 N ATOM 1349 CA THR A 89 -0.689 8.587 -8.590 1.00 0.00 C ATOM 1350 C THR A 89 0.696 8.721 -9.228 1.00 0.00 C ATOM 1351 O THR A 89 0.877 9.604 -10.066 1.00 0.00 O ATOM 1352 CB THR A 89 -1.827 8.672 -9.626 1.00 0.00 C ATOM 1353 OG1 THR A 89 -1.757 9.844 -10.417 1.00 0.00 O ATOM 1354 CG2 THR A 89 -3.200 8.702 -8.949 1.00 0.00 C ATOM 0 H THR A 89 -0.549 10.558 -7.951 1.00 0.00 H new ATOM 0 HA THR A 89 -0.754 7.604 -8.124 1.00 0.00 H new ATOM 0 HB THR A 89 -1.705 7.785 -10.248 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.821 10.036 -10.635 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.979 8.762 -9.709 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.336 7.794 -8.361 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.264 9.571 -8.294 1.00 0.00 H new ATOM 1362 N LYS A 90 1.673 7.882 -8.865 1.00 0.00 N ATOM 1363 CA LYS A 90 2.999 7.987 -9.465 1.00 0.00 C ATOM 1364 C LYS A 90 3.002 7.148 -10.737 1.00 0.00 C ATOM 1365 O LYS A 90 2.853 5.930 -10.671 1.00 0.00 O ATOM 1366 CB LYS A 90 4.105 7.595 -8.472 1.00 0.00 C ATOM 1367 CG LYS A 90 5.496 8.087 -8.910 1.00 0.00 C ATOM 1368 CD LYS A 90 6.193 7.123 -9.884 1.00 0.00 C ATOM 1369 CE LYS A 90 7.453 7.734 -10.509 1.00 0.00 C ATOM 1370 NZ LYS A 90 7.122 8.769 -11.505 1.00 0.00 N ATOM 0 H LYS A 90 1.571 7.139 -8.173 1.00 0.00 H new ATOM 0 HA LYS A 90 3.220 9.022 -9.727 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.870 8.008 -7.491 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.124 6.510 -8.365 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.398 9.064 -9.382 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.123 8.221 -8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.460 6.207 -9.356 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.497 6.844 -10.675 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.074 8.169 -9.725 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.042 6.948 -10.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.994 9.098 -11.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.481 8.370 -12.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.657 9.570 -11.032 1.00 0.00 H new ATOM 1384 N VAL A 91 3.157 7.798 -11.890 1.00 0.00 N ATOM 1385 CA VAL A 91 3.185 7.144 -13.187 1.00 0.00 C ATOM 1386 C VAL A 91 4.639 6.796 -13.514 1.00 0.00 C ATOM 1387 O VAL A 91 5.471 7.699 -13.601 1.00 0.00 O ATOM 1388 CB VAL A 91 2.590 8.092 -14.247 1.00 0.00 C ATOM 1389 CG1 VAL A 91 2.478 7.392 -15.607 1.00 0.00 C ATOM 1390 CG2 VAL A 91 1.199 8.603 -13.843 1.00 0.00 C ATOM 0 H VAL A 91 3.268 8.810 -11.944 1.00 0.00 H new ATOM 0 HA VAL A 91 2.591 6.230 -13.178 1.00 0.00 H new ATOM 0 HB VAL A 91 3.271 8.940 -14.320 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.055 8.082 -16.338 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.468 7.076 -15.936 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.831 6.520 -15.515 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.816 9.268 -14.618 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.521 7.758 -13.723 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.271 9.147 -12.901 1.00 0.00 H new ATOM 1400 N GLY A 92 4.952 5.511 -13.690 1.00 0.00 N ATOM 1401 CA GLY A 92 6.288 5.052 -14.039 1.00 0.00 C ATOM 1402 C GLY A 92 7.041 4.482 -12.838 1.00 0.00 C ATOM 1403 O GLY A 92 6.636 4.643 -11.689 1.00 0.00 O ATOM 0 H GLY A 92 4.274 4.755 -13.592 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.216 4.289 -14.814 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.856 5.882 -14.460 1.00 0.00 H new ATOM 1407 N ALA A 93 8.146 3.790 -13.123 1.00 0.00 N ATOM 1408 CA ALA A 93 8.990 3.172 -12.110 1.00 0.00 C ATOM 1409 C ALA A 93 9.858 4.221 -11.409 1.00 0.00 C ATOM 1410 O ALA A 93 10.019 5.339 -11.897 1.00 0.00 O ATOM 1411 CB ALA A 93 9.858 2.098 -12.772 1.00 0.00 C ATOM 0 H ALA A 93 8.480 3.644 -14.076 1.00 0.00 H new ATOM 0 HA ALA A 93 8.361 2.709 -11.349 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.494 1.630 -12.020 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.218 1.343 -13.228 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.481 2.556 -13.540 1.00 0.00 H new ATOM 1417 N LEU A 94 10.440 3.839 -10.271 1.00 0.00 N ATOM 1418 CA LEU A 94 11.333 4.642 -9.451 1.00 0.00 C ATOM 1419 C LEU A 94 12.053 3.683 -8.504 1.00 0.00 C ATOM 1420 O LEU A 94 11.676 2.512 -8.426 1.00 0.00 O ATOM 1421 CB LEU A 94 10.587 5.771 -8.722 1.00 0.00 C ATOM 1422 CG LEU A 94 9.728 5.335 -7.523 1.00 0.00 C ATOM 1423 CD1 LEU A 94 9.021 6.571 -6.954 1.00 0.00 C ATOM 1424 CD2 LEU A 94 8.676 4.279 -7.878 1.00 0.00 C ATOM 0 H LEU A 94 10.289 2.909 -9.880 1.00 0.00 H new ATOM 0 HA LEU A 94 12.065 5.161 -10.069 1.00 0.00 H new ATOM 0 HB2 LEU A 94 11.319 6.501 -8.375 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.944 6.280 -9.440 1.00 0.00 H new ATOM 0 HG LEU A 94 10.399 4.879 -6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.407 6.279 -6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.765 7.300 -6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.388 7.014 -7.723 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.107 4.018 -6.986 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.001 4.678 -8.635 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.171 3.389 -8.266 1.00 0.00 H new ATOM 1436 N SER A 95 13.091 4.156 -7.814 1.00 0.00 N ATOM 1437 CA SER A 95 13.890 3.324 -6.928 1.00 0.00 C ATOM 1438 C SER A 95 13.453 3.448 -5.467 1.00 0.00 C ATOM 1439 O SER A 95 12.612 4.276 -5.101 1.00 0.00 O ATOM 1440 CB SER A 95 15.359 3.752 -7.064 1.00 0.00 C ATOM 1441 OG SER A 95 15.554 5.045 -6.513 1.00 0.00 O ATOM 0 H SER A 95 13.398 5.128 -7.857 1.00 0.00 H new ATOM 0 HA SER A 95 13.754 2.281 -7.216 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.002 3.033 -6.556 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.648 3.751 -8.115 1.00 0.00 H new ATOM 0 HG SER A 95 15.567 4.985 -5.535 1.00 0.00 H new ATOM 1447 N LYS A 96 14.133 2.679 -4.612 1.00 0.00 N ATOM 1448 CA LYS A 96 14.020 2.825 -3.175 1.00 0.00 C ATOM 1449 C LYS A 96 14.583 4.221 -2.859 1.00 0.00 C ATOM 1450 O LYS A 96 15.256 4.831 -3.697 1.00 0.00 O ATOM 1451 CB LYS A 96 14.808 1.691 -2.497 1.00 0.00 C ATOM 1452 CG LYS A 96 14.449 1.495 -1.018 1.00 0.00 C ATOM 1453 CD LYS A 96 15.171 0.258 -0.466 1.00 0.00 C ATOM 1454 CE LYS A 96 14.750 -0.063 0.974 1.00 0.00 C ATOM 1455 NZ LYS A 96 15.223 0.944 1.940 1.00 0.00 N ATOM 0 H LYS A 96 14.774 1.942 -4.905 1.00 0.00 H new ATOM 0 HA LYS A 96 12.997 2.750 -2.805 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.624 0.760 -3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.874 1.901 -2.579 1.00 0.00 H new ATOM 0 HG2 LYS A 96 14.733 2.378 -0.446 1.00 0.00 H new ATOM 0 HG3 LYS A 96 13.371 1.377 -0.909 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.959 -0.600 -1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 96 16.248 0.422 -0.500 1.00 0.00 H new ATOM 0 HE2 LYS A 96 13.663 -0.128 1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 96 15.141 -1.041 1.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.749 0.797 2.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 16.251 0.850 2.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 15.003 1.896 1.585 1.00 0.00 H new ATOM 1469 N GLY A 97 14.274 4.772 -1.686 1.00 0.00 N ATOM 1470 CA GLY A 97 14.695 6.120 -1.335 1.00 0.00 C ATOM 1471 C GLY A 97 13.724 7.107 -1.976 1.00 0.00 C ATOM 1472 O GLY A 97 13.025 7.828 -1.271 1.00 0.00 O ATOM 0 H GLY A 97 13.731 4.300 -0.963 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.704 6.245 -0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.710 6.304 -1.686 1.00 0.00 H new ATOM 1476 N GLN A 98 13.628 7.097 -3.309 1.00 0.00 N ATOM 1477 CA GLN A 98 12.674 7.932 -4.032 1.00 0.00 C ATOM 1478 C GLN A 98 11.262 7.538 -3.598 1.00 0.00 C ATOM 1479 O GLN A 98 10.487 8.369 -3.120 1.00 0.00 O ATOM 1480 CB GLN A 98 12.833 7.767 -5.548 1.00 0.00 C ATOM 1481 CG GLN A 98 14.174 8.293 -6.071 1.00 0.00 C ATOM 1482 CD GLN A 98 14.208 8.227 -7.595 1.00 0.00 C ATOM 1483 OE1 GLN A 98 13.751 9.141 -8.269 1.00 0.00 O ATOM 1484 NE2 GLN A 98 14.734 7.143 -8.157 1.00 0.00 N ATOM 0 H GLN A 98 14.207 6.512 -3.911 1.00 0.00 H new ATOM 0 HA GLN A 98 12.860 8.980 -3.798 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.738 6.712 -5.805 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.022 8.292 -6.052 1.00 0.00 H new ATOM 0 HG2 GLN A 98 14.323 9.321 -5.741 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.991 7.703 -5.656 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.108 6.396 -7.572 1.00 0.00 H new ATOM 0 HE22 GLN A 98 14.764 7.059 -9.173 1.00 0.00 H new ATOM 1493 N LEU A 99 10.936 6.251 -3.752 1.00 0.00 N ATOM 1494 CA LEU A 99 9.638 5.728 -3.355 1.00 0.00 C ATOM 1495 C LEU A 99 9.388 6.014 -1.872 1.00 0.00 C ATOM 1496 O LEU A 99 8.321 6.501 -1.510 1.00 0.00 O ATOM 1497 CB LEU A 99 9.563 4.236 -3.705 1.00 0.00 C ATOM 1498 CG LEU A 99 8.232 3.553 -3.356 1.00 0.00 C ATOM 1499 CD1 LEU A 99 6.994 4.301 -3.864 1.00 0.00 C ATOM 1500 CD2 LEU A 99 8.227 2.157 -3.983 1.00 0.00 C ATOM 0 H LEU A 99 11.563 5.553 -4.152 1.00 0.00 H new ATOM 0 HA LEU A 99 8.840 6.228 -3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.745 4.119 -4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.368 3.716 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 99 8.170 3.530 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.096 3.755 -3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.967 5.299 -3.427 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.038 4.382 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.289 1.655 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.329 2.244 -5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.059 1.577 -3.585 1.00 0.00 H new ATOM 1512 N LYS A 100 10.383 5.756 -1.017 1.00 0.00 N ATOM 1513 CA LYS A 100 10.260 6.023 0.411 1.00 0.00 C ATOM 1514 C LYS A 100 9.902 7.489 0.668 1.00 0.00 C ATOM 1515 O LYS A 100 8.955 7.769 1.397 1.00 0.00 O ATOM 1516 CB LYS A 100 11.530 5.607 1.160 1.00 0.00 C ATOM 1517 CG LYS A 100 11.688 4.082 1.123 1.00 0.00 C ATOM 1518 CD LYS A 100 12.835 3.553 1.992 1.00 0.00 C ATOM 1519 CE LYS A 100 12.609 3.821 3.485 1.00 0.00 C ATOM 1520 NZ LYS A 100 13.582 3.091 4.317 1.00 0.00 N ATOM 0 H LYS A 100 11.282 5.362 -1.294 1.00 0.00 H new ATOM 0 HA LYS A 100 9.442 5.417 0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 100 12.401 6.082 0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.481 5.950 2.193 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.756 3.622 1.451 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.853 3.769 0.092 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.945 2.481 1.831 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.769 4.020 1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.691 4.890 3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.597 3.523 3.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.468 3.372 5.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.419 2.068 4.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 14.547 3.317 4.002 1.00 0.00 H new ATOM 1534 N GLU A 101 10.634 8.424 0.057 1.00 0.00 N ATOM 1535 CA GLU A 101 10.387 9.848 0.199 1.00 0.00 C ATOM 1536 C GLU A 101 8.958 10.173 -0.239 1.00 0.00 C ATOM 1537 O GLU A 101 8.219 10.821 0.497 1.00 0.00 O ATOM 1538 CB GLU A 101 11.445 10.616 -0.606 1.00 0.00 C ATOM 1539 CG GLU A 101 11.293 12.136 -0.491 1.00 0.00 C ATOM 1540 CD GLU A 101 11.425 12.626 0.949 1.00 0.00 C ATOM 1541 OE1 GLU A 101 12.571 12.612 1.448 1.00 0.00 O ATOM 1542 OE2 GLU A 101 10.379 12.995 1.524 1.00 0.00 O ATOM 0 H GLU A 101 11.420 8.204 -0.554 1.00 0.00 H new ATOM 0 HA GLU A 101 10.473 10.155 1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.438 10.328 -0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.377 10.327 -1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.049 12.622 -1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 101 10.321 12.432 -0.885 1.00 0.00 H new ATOM 1549 N PHE A 102 8.559 9.707 -1.427 1.00 0.00 N ATOM 1550 CA PHE A 102 7.206 9.914 -1.938 1.00 0.00 C ATOM 1551 C PHE A 102 6.176 9.446 -0.904 1.00 0.00 C ATOM 1552 O PHE A 102 5.264 10.188 -0.532 1.00 0.00 O ATOM 1553 CB PHE A 102 7.041 9.174 -3.275 1.00 0.00 C ATOM 1554 CG PHE A 102 5.626 9.153 -3.826 1.00 0.00 C ATOM 1555 CD1 PHE A 102 5.158 10.212 -4.627 1.00 0.00 C ATOM 1556 CD2 PHE A 102 4.786 8.052 -3.567 1.00 0.00 C ATOM 1557 CE1 PHE A 102 3.871 10.153 -5.195 1.00 0.00 C ATOM 1558 CE2 PHE A 102 3.497 8.000 -4.123 1.00 0.00 C ATOM 1559 CZ PHE A 102 3.044 9.044 -4.947 1.00 0.00 C ATOM 0 H PHE A 102 9.164 9.179 -2.056 1.00 0.00 H new ATOM 0 HA PHE A 102 7.038 10.976 -2.115 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.695 9.638 -4.013 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.381 8.146 -3.149 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.787 11.071 -4.806 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.134 7.245 -2.939 1.00 0.00 H new ATOM 0 HE1 PHE A 102 3.519 10.960 -5.821 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.854 7.157 -3.917 1.00 0.00 H new ATOM 0 HZ PHE A 102 2.060 8.994 -5.390 1.00 0.00 H new ATOM 1569 N LEU A 103 6.324 8.210 -0.427 1.00 0.00 N ATOM 1570 CA LEU A 103 5.422 7.635 0.557 1.00 0.00 C ATOM 1571 C LEU A 103 5.399 8.472 1.830 1.00 0.00 C ATOM 1572 O LEU A 103 4.323 8.784 2.326 1.00 0.00 O ATOM 1573 CB LEU A 103 5.816 6.188 0.854 1.00 0.00 C ATOM 1574 CG LEU A 103 5.593 5.286 -0.366 1.00 0.00 C ATOM 1575 CD1 LEU A 103 6.316 3.963 -0.127 1.00 0.00 C ATOM 1576 CD2 LEU A 103 4.106 5.067 -0.655 1.00 0.00 C ATOM 0 H LEU A 103 7.075 7.583 -0.716 1.00 0.00 H new ATOM 0 HA LEU A 103 4.413 7.637 0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.864 6.148 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.232 5.816 1.695 1.00 0.00 H new ATOM 0 HG LEU A 103 6.001 5.775 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.169 3.308 -0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.381 4.150 0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.915 3.486 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.996 4.422 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.633 4.596 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.628 6.027 -0.851 1.00 0.00 H new ATOM 1588 N ASP A 104 6.566 8.854 2.348 1.00 0.00 N ATOM 1589 CA ASP A 104 6.667 9.681 3.546 1.00 0.00 C ATOM 1590 C ASP A 104 5.874 10.969 3.336 1.00 0.00 C ATOM 1591 O ASP A 104 4.996 11.296 4.132 1.00 0.00 O ATOM 1592 CB ASP A 104 8.135 10.003 3.877 1.00 0.00 C ATOM 1593 CG ASP A 104 8.986 8.777 4.194 1.00 0.00 C ATOM 1594 OD1 ASP A 104 8.397 7.741 4.574 1.00 0.00 O ATOM 1595 OD2 ASP A 104 10.221 8.894 4.054 1.00 0.00 O ATOM 0 H ASP A 104 7.468 8.597 1.947 1.00 0.00 H new ATOM 0 HA ASP A 104 6.252 9.129 4.390 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.579 10.532 3.033 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.164 10.682 4.729 1.00 0.00 H new ATOM 1600 N ALA A 105 6.176 11.685 2.251 1.00 0.00 N ATOM 1601 CA ALA A 105 5.523 12.934 1.891 1.00 0.00 C ATOM 1602 C ALA A 105 4.005 12.778 1.790 1.00 0.00 C ATOM 1603 O ALA A 105 3.266 13.676 2.183 1.00 0.00 O ATOM 1604 CB ALA A 105 6.110 13.457 0.577 1.00 0.00 C ATOM 0 H ALA A 105 6.897 11.402 1.588 1.00 0.00 H new ATOM 0 HA ALA A 105 5.711 13.659 2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.621 14.393 0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.179 13.629 0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.948 12.722 -0.212 1.00 0.00 H new ATOM 1610 N ASN A 106 3.531 11.642 1.269 1.00 0.00 N ATOM 1611 CA ASN A 106 2.100 11.418 1.092 1.00 0.00 C ATOM 1612 C ASN A 106 1.442 11.049 2.420 1.00 0.00 C ATOM 1613 O ASN A 106 0.430 11.636 2.789 1.00 0.00 O ATOM 1614 CB ASN A 106 1.853 10.292 0.080 1.00 0.00 C ATOM 1615 CG ASN A 106 1.827 10.789 -1.360 1.00 0.00 C ATOM 1616 OD1 ASN A 106 0.758 11.045 -1.902 1.00 0.00 O ATOM 1617 ND2 ASN A 106 2.985 10.913 -1.994 1.00 0.00 N ATOM 0 H ASN A 106 4.119 10.867 0.964 1.00 0.00 H new ATOM 0 HA ASN A 106 1.662 12.344 0.719 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.632 9.537 0.185 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.905 9.805 0.309 1.00 0.00 H new ATOM 0 HD21 ASN A 106 3.004 11.230 -2.963 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.856 10.691 -1.512 1.00 0.00 H new ATOM 1624 N LEU A 107 1.991 10.067 3.138 1.00 0.00 N ATOM 1625 CA LEU A 107 1.455 9.620 4.417 1.00 0.00 C ATOM 1626 C LEU A 107 1.446 10.781 5.414 1.00 0.00 C ATOM 1627 O LEU A 107 0.465 10.977 6.127 1.00 0.00 O ATOM 1628 CB LEU A 107 2.243 8.410 4.946 1.00 0.00 C ATOM 1629 CG LEU A 107 2.056 7.137 4.100 1.00 0.00 C ATOM 1630 CD1 LEU A 107 3.135 6.121 4.493 1.00 0.00 C ATOM 1631 CD2 LEU A 107 0.673 6.505 4.301 1.00 0.00 C ATOM 0 H LEU A 107 2.825 9.559 2.843 1.00 0.00 H new ATOM 0 HA LEU A 107 0.425 9.292 4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.303 8.663 4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.933 8.204 5.971 1.00 0.00 H new ATOM 0 HG LEU A 107 2.142 7.415 3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.014 5.214 3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.121 6.547 4.307 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.038 5.879 5.551 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.589 5.610 3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.545 6.236 5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.099 7.219 4.013 1.00 0.00 H new ATOM 1643 N ALA A 108 2.522 11.573 5.454 1.00 0.00 N ATOM 1644 CA ALA A 108 2.599 12.737 6.326 1.00 0.00 C ATOM 1645 C ALA A 108 1.481 13.719 5.974 1.00 0.00 C ATOM 1646 O ALA A 108 1.358 14.771 6.599 1.00 0.00 O ATOM 1647 CB ALA A 108 3.977 13.395 6.194 1.00 0.00 C ATOM 0 H ALA A 108 3.355 11.423 4.885 1.00 0.00 H new ATOM 0 HA ALA A 108 2.469 12.428 7.363 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.029 14.265 6.848 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.750 12.681 6.478 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.133 13.708 5.162 1.00 0.00 H new