USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 737 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 30 CYS SG : rot 25:sc= 0.0604 USER MOD Set 1.2: A 79 CYS SG : rot -170:sc= -1.18 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0851 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -91:sc= 0.953 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00646 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.402 F(o=-1,f=-0.4) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 136:sc= -2.54! (180deg=-3.02) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.52 F(o=-1.6,f=-0.52) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0569 USER MOD Single : A 57 GLN : amide:sc= -0.173 K(o=-0.17,f=-1.6) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot -110:sc= -0.0366 USER MOD Single : A 65 GLN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 146:sc= -0.618 (180deg=-2.09!) USER MOD Single : A 77 TYR OH : rot -31:sc= -3.25! USER MOD Single : A 81 CYS SG : rot -150:sc= -1.38 USER MOD Single : A 83 GLN : amide:sc= -0.0105 K(o=-0.011,f=-0.62) USER MOD Single : A 86 THR OG1 : rot 160:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 23:sc= 0.17 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.763 37.232 9.413 1.00 0.00 N ATOM 2 CA GLY A 1 1.170 37.289 8.089 1.00 0.00 C ATOM 3 C GLY A 1 0.682 35.935 7.614 1.00 0.00 C ATOM 4 O GLY A 1 0.721 34.957 8.360 1.00 0.00 O ATOM 0 H1 GLY A 1 1.243 37.865 10.054 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.714 36.258 9.774 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.757 37.532 9.361 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.335 37.990 8.098 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.904 37.676 7.382 1.00 0.00 H new ATOM 8 N SER A 2 0.220 35.878 6.369 1.00 0.00 N ATOM 9 CA SER A 2 -0.283 34.635 5.796 1.00 0.00 C ATOM 10 C SER A 2 0.523 33.441 6.299 1.00 0.00 C ATOM 11 O SER A 2 -0.038 32.469 6.805 1.00 0.00 O ATOM 12 CB SER A 2 -0.230 34.694 4.269 1.00 0.00 C ATOM 13 OG SER A 2 -1.266 35.513 3.754 1.00 0.00 O ATOM 0 H SER A 2 0.184 36.678 5.738 1.00 0.00 H new ATOM 0 HA SER A 2 -1.319 34.511 6.111 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.737 35.082 3.950 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.320 33.688 3.860 1.00 0.00 H new ATOM 0 HG SER A 2 -1.209 35.536 2.776 1.00 0.00 H new ATOM 19 N SER A 3 1.841 33.521 6.154 1.00 0.00 N ATOM 20 CA SER A 3 2.725 32.446 6.589 1.00 0.00 C ATOM 21 C SER A 3 2.124 31.083 6.261 1.00 0.00 C ATOM 22 O SER A 3 2.167 30.161 7.074 1.00 0.00 O ATOM 23 CB SER A 3 2.990 32.551 8.092 1.00 0.00 C ATOM 24 OG SER A 3 1.776 32.609 8.820 1.00 0.00 O ATOM 0 H SER A 3 2.321 34.319 5.738 1.00 0.00 H new ATOM 0 HA SER A 3 3.669 32.546 6.053 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.575 31.693 8.422 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.585 33.441 8.299 1.00 0.00 H new ATOM 0 HG SER A 3 1.512 33.545 8.942 1.00 0.00 H new ATOM 30 N GLY A 4 1.564 30.963 5.061 1.00 0.00 N ATOM 31 CA GLY A 4 0.962 29.710 4.645 1.00 0.00 C ATOM 32 C GLY A 4 1.398 29.290 3.255 1.00 0.00 C ATOM 33 O GLY A 4 1.957 30.090 2.505 1.00 0.00 O ATOM 0 H GLY A 4 1.517 31.711 4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.228 28.929 5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.123 29.807 4.668 1.00 0.00 H new ATOM 37 N SER A 5 1.145 28.031 2.913 1.00 0.00 N ATOM 38 CA SER A 5 1.521 27.504 1.606 1.00 0.00 C ATOM 39 C SER A 5 0.772 26.209 1.306 1.00 0.00 C ATOM 40 O SER A 5 0.604 25.360 2.181 1.00 0.00 O ATOM 41 CB SER A 5 3.030 27.259 1.546 1.00 0.00 C ATOM 42 OG SER A 5 3.437 26.906 0.236 1.00 0.00 O ATOM 0 H SER A 5 0.681 27.357 3.522 1.00 0.00 H new ATOM 0 HA SER A 5 1.250 28.243 0.852 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.560 28.156 1.866 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.301 26.464 2.241 1.00 0.00 H new ATOM 0 HG SER A 5 4.405 26.756 0.223 1.00 0.00 H new ATOM 48 N SER A 6 0.323 26.067 0.063 1.00 0.00 N ATOM 49 CA SER A 6 -0.412 24.878 -0.353 1.00 0.00 C ATOM 50 C SER A 6 0.450 23.991 -1.247 1.00 0.00 C ATOM 51 O SER A 6 0.568 24.229 -2.448 1.00 0.00 O ATOM 52 CB SER A 6 -1.691 25.275 -1.091 1.00 0.00 C ATOM 53 OG SER A 6 -2.669 24.254 -1.003 1.00 0.00 O ATOM 0 H SER A 6 0.455 26.760 -0.673 1.00 0.00 H new ATOM 0 HA SER A 6 -0.677 24.314 0.541 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.086 26.199 -0.669 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.463 25.475 -2.138 1.00 0.00 H new ATOM 0 HG SER A 6 -3.477 24.533 -1.481 1.00 0.00 H new ATOM 59 N GLY A 7 1.052 22.967 -0.650 1.00 0.00 N ATOM 60 CA GLY A 7 1.896 22.060 -1.406 1.00 0.00 C ATOM 61 C GLY A 7 1.376 20.636 -1.391 1.00 0.00 C ATOM 62 O GLY A 7 0.814 20.168 -0.401 1.00 0.00 O ATOM 0 H GLY A 7 0.970 22.749 0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.965 22.407 -2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.905 22.079 -0.994 1.00 0.00 H new ATOM 66 N PRO A 8 1.562 19.922 -2.511 1.00 0.00 N ATOM 67 CA PRO A 8 1.113 18.534 -2.649 1.00 0.00 C ATOM 68 C PRO A 8 1.926 17.574 -1.786 1.00 0.00 C ATOM 69 O PRO A 8 2.907 17.969 -1.157 1.00 0.00 O ATOM 70 CB PRO A 8 1.334 18.235 -4.134 1.00 0.00 C ATOM 71 CG PRO A 8 2.414 19.171 -4.552 1.00 0.00 C ATOM 72 CD PRO A 8 2.225 20.416 -3.730 1.00 0.00 C ATOM 0 HA PRO A 8 0.081 18.405 -2.323 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.628 17.197 -4.289 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.423 18.398 -4.711 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.398 18.734 -4.378 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.347 19.393 -5.617 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.177 20.896 -3.503 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.612 21.152 -4.251 1.00 0.00 H new ATOM 80 N ALA A 9 1.511 16.312 -1.761 1.00 0.00 N ATOM 81 CA ALA A 9 2.202 15.295 -0.978 1.00 0.00 C ATOM 82 C ALA A 9 3.201 14.526 -1.835 1.00 0.00 C ATOM 83 O ALA A 9 2.829 13.900 -2.829 1.00 0.00 O ATOM 84 CB ALA A 9 1.198 14.341 -0.349 1.00 0.00 C ATOM 0 H ALA A 9 0.699 15.969 -2.274 1.00 0.00 H new ATOM 0 HA ALA A 9 2.756 15.797 -0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.728 13.587 0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.527 14.898 0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.619 13.853 -1.133 1.00 0.00 H new ATOM 90 N LYS A 10 4.470 14.577 -1.446 1.00 0.00 N ATOM 91 CA LYS A 10 5.524 13.885 -2.179 1.00 0.00 C ATOM 92 C LYS A 10 5.845 12.542 -1.530 1.00 0.00 C ATOM 93 O LYS A 10 5.549 12.323 -0.355 1.00 0.00 O ATOM 94 CB LYS A 10 6.785 14.750 -2.238 1.00 0.00 C ATOM 95 CG LYS A 10 6.635 15.984 -3.111 1.00 0.00 C ATOM 96 CD LYS A 10 6.675 15.631 -4.588 1.00 0.00 C ATOM 97 CE LYS A 10 6.068 16.734 -5.441 1.00 0.00 C ATOM 98 NZ LYS A 10 6.898 17.970 -5.423 1.00 0.00 N ATOM 0 H LYS A 10 4.794 15.091 -0.627 1.00 0.00 H new ATOM 0 HA LYS A 10 5.169 13.703 -3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.050 15.060 -1.227 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.612 14.147 -2.614 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.693 16.481 -2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.433 16.691 -2.883 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.707 15.459 -4.894 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.133 14.700 -4.756 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.962 16.383 -6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.066 16.964 -5.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.450 18.698 -6.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.978 18.320 -4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.846 17.757 -5.793 1.00 0.00 H new ATOM 112 N PHE A 11 6.454 11.648 -2.302 1.00 0.00 N ATOM 113 CA PHE A 11 6.817 10.327 -1.801 1.00 0.00 C ATOM 114 C PHE A 11 8.231 10.332 -1.229 1.00 0.00 C ATOM 115 O PHE A 11 9.208 10.510 -1.957 1.00 0.00 O ATOM 116 CB PHE A 11 6.710 9.288 -2.919 1.00 0.00 C ATOM 117 CG PHE A 11 5.314 8.780 -3.134 1.00 0.00 C ATOM 118 CD1 PHE A 11 4.798 7.773 -2.335 1.00 0.00 C ATOM 119 CD2 PHE A 11 4.517 9.308 -4.137 1.00 0.00 C ATOM 120 CE1 PHE A 11 3.512 7.303 -2.530 1.00 0.00 C ATOM 121 CE2 PHE A 11 3.231 8.843 -4.336 1.00 0.00 C ATOM 122 CZ PHE A 11 2.728 7.838 -3.533 1.00 0.00 C ATOM 0 H PHE A 11 6.706 11.814 -3.276 1.00 0.00 H new ATOM 0 HA PHE A 11 6.123 10.065 -1.003 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.075 9.726 -3.848 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.362 8.446 -2.686 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.407 7.350 -1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.905 10.092 -4.770 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.121 6.519 -1.899 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.619 9.265 -5.119 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.724 7.472 -3.689 1.00 0.00 H new ATOM 132 N THR A 12 8.333 10.135 0.082 1.00 0.00 N ATOM 133 CA THR A 12 9.627 10.118 0.754 1.00 0.00 C ATOM 134 C THR A 12 10.248 8.727 0.716 1.00 0.00 C ATOM 135 O THR A 12 11.448 8.580 0.491 1.00 0.00 O ATOM 136 CB THR A 12 9.504 10.574 2.220 1.00 0.00 C ATOM 137 OG1 THR A 12 8.401 9.911 2.848 1.00 0.00 O ATOM 138 CG2 THR A 12 9.312 12.080 2.305 1.00 0.00 C ATOM 0 H THR A 12 7.535 9.985 0.699 1.00 0.00 H new ATOM 0 HA THR A 12 10.271 10.815 0.218 1.00 0.00 H new ATOM 0 HB THR A 12 10.427 10.312 2.737 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.330 10.205 3.780 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.228 12.378 3.350 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.167 12.582 1.853 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.403 12.362 1.773 1.00 0.00 H new ATOM 146 N GLU A 13 9.422 7.709 0.937 1.00 0.00 N ATOM 147 CA GLU A 13 9.892 6.329 0.928 1.00 0.00 C ATOM 148 C GLU A 13 9.401 5.595 -0.317 1.00 0.00 C ATOM 149 O GLU A 13 10.162 4.883 -0.972 1.00 0.00 O ATOM 150 CB GLU A 13 9.418 5.596 2.185 1.00 0.00 C ATOM 151 CG GLU A 13 10.049 6.116 3.466 1.00 0.00 C ATOM 152 CD GLU A 13 11.562 6.018 3.453 1.00 0.00 C ATOM 153 OE1 GLU A 13 12.084 4.921 3.163 1.00 0.00 O ATOM 154 OE2 GLU A 13 12.225 7.039 3.732 1.00 0.00 O ATOM 0 H GLU A 13 8.425 7.814 1.124 1.00 0.00 H new ATOM 0 HA GLU A 13 10.982 6.344 0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.334 5.686 2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.644 4.534 2.083 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.757 7.156 3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.659 5.552 4.313 1.00 0.00 H new ATOM 161 N GLY A 14 8.123 5.774 -0.637 1.00 0.00 N ATOM 162 CA GLY A 14 7.552 5.122 -1.801 1.00 0.00 C ATOM 163 C GLY A 14 7.288 3.647 -1.569 1.00 0.00 C ATOM 164 O GLY A 14 7.708 3.086 -0.556 1.00 0.00 O ATOM 0 H GLY A 14 7.473 6.359 -0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.619 5.617 -2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.229 5.238 -2.647 1.00 0.00 H new ATOM 168 N LEU A 15 6.589 3.018 -2.507 1.00 0.00 N ATOM 169 CA LEU A 15 6.268 1.599 -2.400 1.00 0.00 C ATOM 170 C LEU A 15 7.520 0.744 -2.567 1.00 0.00 C ATOM 171 O LEU A 15 8.520 1.192 -3.128 1.00 0.00 O ATOM 172 CB LEU A 15 5.227 1.211 -3.452 1.00 0.00 C ATOM 173 CG LEU A 15 3.797 1.683 -3.186 1.00 0.00 C ATOM 174 CD1 LEU A 15 2.926 1.462 -4.413 1.00 0.00 C ATOM 175 CD2 LEU A 15 3.213 0.963 -1.979 1.00 0.00 C ATOM 0 H LEU A 15 6.234 3.468 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 15 5.857 1.418 -1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.547 1.609 -4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.219 0.125 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 15 3.822 2.751 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.912 1.804 -4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.333 2.023 -5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.908 0.400 -4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.195 1.312 -1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.202 -0.111 -2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.823 1.172 -1.100 1.00 0.00 H new ATOM 187 N ARG A 16 7.456 -0.491 -2.079 1.00 0.00 N ATOM 188 CA ARG A 16 8.584 -1.410 -2.175 1.00 0.00 C ATOM 189 C ARG A 16 8.116 -2.803 -2.587 1.00 0.00 C ATOM 190 O ARG A 16 7.080 -3.281 -2.128 1.00 0.00 O ATOM 191 CB ARG A 16 9.325 -1.483 -0.839 1.00 0.00 C ATOM 192 CG ARG A 16 8.438 -1.885 0.328 1.00 0.00 C ATOM 193 CD ARG A 16 9.035 -1.449 1.657 1.00 0.00 C ATOM 194 NE ARG A 16 9.914 -2.469 2.223 1.00 0.00 N ATOM 195 CZ ARG A 16 10.765 -2.236 3.216 1.00 0.00 C ATOM 196 NH1 ARG A 16 10.851 -1.026 3.751 1.00 0.00 N ATOM 197 NH2 ARG A 16 11.532 -3.216 3.677 1.00 0.00 N ATOM 0 H ARG A 16 6.635 -0.878 -1.613 1.00 0.00 H new ATOM 0 HA ARG A 16 9.264 -1.033 -2.939 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.143 -2.198 -0.926 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.772 -0.511 -0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.451 -1.438 0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.301 -2.966 0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.595 -0.525 1.517 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.232 -1.231 2.361 1.00 0.00 H new ATOM 0 HE ARG A 16 9.872 -3.411 1.835 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.263 -0.270 3.400 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.506 -0.851 4.513 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.468 -4.149 3.269 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.185 -3.037 4.439 1.00 0.00 H new ATOM 211 N ASN A 17 8.889 -3.448 -3.455 1.00 0.00 N ATOM 212 CA ASN A 17 8.553 -4.786 -3.929 1.00 0.00 C ATOM 213 C ASN A 17 8.641 -5.803 -2.795 1.00 0.00 C ATOM 214 O ASN A 17 9.632 -5.852 -2.067 1.00 0.00 O ATOM 215 CB ASN A 17 9.488 -5.195 -5.069 1.00 0.00 C ATOM 216 CG ASN A 17 10.854 -5.626 -4.570 1.00 0.00 C ATOM 217 OD1 ASN A 17 10.983 -6.903 -4.230 1.00 0.00 O flip ATOM 218 ND2 ASN A 17 11.781 -4.820 -4.492 1.00 0.00 N flip ATOM 0 H ASN A 17 9.751 -3.066 -3.844 1.00 0.00 H new ATOM 0 HA ASN A 17 7.527 -4.767 -4.298 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.035 -6.012 -5.631 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.603 -4.359 -5.759 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.636 -3.848 -4.764 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.694 -5.124 -4.155 1.00 0.00 H new ATOM 225 N GLU A 18 7.597 -6.613 -2.652 1.00 0.00 N ATOM 226 CA GLU A 18 7.556 -7.629 -1.607 1.00 0.00 C ATOM 227 C GLU A 18 6.871 -8.897 -2.107 1.00 0.00 C ATOM 228 O GLU A 18 6.431 -8.966 -3.254 1.00 0.00 O ATOM 229 CB GLU A 18 6.826 -7.094 -0.373 1.00 0.00 C ATOM 230 CG GLU A 18 5.319 -7.009 -0.547 1.00 0.00 C ATOM 231 CD GLU A 18 4.598 -6.697 0.750 1.00 0.00 C ATOM 232 OE1 GLU A 18 5.122 -5.882 1.538 1.00 0.00 O ATOM 233 OE2 GLU A 18 3.511 -7.268 0.977 1.00 0.00 O ATOM 0 H GLU A 18 6.769 -6.585 -3.246 1.00 0.00 H new ATOM 0 HA GLU A 18 8.582 -7.875 -1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.049 -7.737 0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.212 -6.103 -0.134 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.085 -6.239 -1.283 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.949 -7.954 -0.946 1.00 0.00 H new ATOM 240 N GLU A 19 6.786 -9.899 -1.237 1.00 0.00 N ATOM 241 CA GLU A 19 6.156 -11.166 -1.591 1.00 0.00 C ATOM 242 C GLU A 19 5.194 -11.620 -0.496 1.00 0.00 C ATOM 243 O GLU A 19 5.214 -11.097 0.618 1.00 0.00 O ATOM 244 CB GLU A 19 7.219 -12.240 -1.829 1.00 0.00 C ATOM 245 CG GLU A 19 7.884 -12.731 -0.554 1.00 0.00 C ATOM 246 CD GLU A 19 6.987 -13.645 0.258 1.00 0.00 C ATOM 247 OE1 GLU A 19 6.881 -14.838 -0.096 1.00 0.00 O ATOM 248 OE2 GLU A 19 6.392 -13.168 1.246 1.00 0.00 O ATOM 0 H GLU A 19 7.145 -9.858 -0.283 1.00 0.00 H new ATOM 0 HA GLU A 19 5.589 -11.017 -2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.760 -13.087 -2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.983 -11.842 -2.497 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.802 -13.261 -0.808 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.170 -11.874 0.055 1.00 0.00 H new ATOM 255 N ALA A 20 4.354 -12.596 -0.823 1.00 0.00 N ATOM 256 CA ALA A 20 3.385 -13.121 0.131 1.00 0.00 C ATOM 257 C ALA A 20 2.886 -14.498 -0.295 1.00 0.00 C ATOM 258 O ALA A 20 2.986 -14.871 -1.464 1.00 0.00 O ATOM 259 CB ALA A 20 2.218 -12.158 0.284 1.00 0.00 C ATOM 0 H ALA A 20 4.325 -13.039 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 20 3.882 -13.226 1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.503 -12.564 1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.585 -11.196 0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.729 -12.023 -0.681 1.00 0.00 H new ATOM 265 N VAL A 21 2.348 -15.249 0.661 1.00 0.00 N ATOM 266 CA VAL A 21 1.832 -16.585 0.384 1.00 0.00 C ATOM 267 C VAL A 21 0.349 -16.539 0.034 1.00 0.00 C ATOM 268 O VAL A 21 -0.389 -15.688 0.528 1.00 0.00 O ATOM 269 CB VAL A 21 2.036 -17.525 1.586 1.00 0.00 C ATOM 270 CG1 VAL A 21 1.503 -18.915 1.273 1.00 0.00 C ATOM 271 CG2 VAL A 21 3.506 -17.584 1.973 1.00 0.00 C ATOM 0 H VAL A 21 2.258 -14.955 1.634 1.00 0.00 H new ATOM 0 HA VAL A 21 2.392 -16.971 -0.468 1.00 0.00 H new ATOM 0 HB VAL A 21 1.476 -17.129 2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.656 -19.566 2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.438 -18.854 1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.033 -19.322 0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.632 -18.253 2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.089 -17.955 1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.852 -16.586 2.242 1.00 0.00 H new ATOM 281 N GLU A 22 -0.080 -17.462 -0.822 1.00 0.00 N ATOM 282 CA GLU A 22 -1.476 -17.527 -1.238 1.00 0.00 C ATOM 283 C GLU A 22 -2.404 -17.553 -0.027 1.00 0.00 C ATOM 284 O GLU A 22 -2.116 -18.207 0.975 1.00 0.00 O ATOM 285 CB GLU A 22 -1.715 -18.764 -2.106 1.00 0.00 C ATOM 286 CG GLU A 22 -1.372 -18.556 -3.571 1.00 0.00 C ATOM 287 CD GLU A 22 -1.884 -19.676 -4.455 1.00 0.00 C ATOM 288 OE1 GLU A 22 -1.595 -20.852 -4.149 1.00 0.00 O ATOM 289 OE2 GLU A 22 -2.573 -19.378 -5.453 1.00 0.00 O ATOM 0 H GLU A 22 0.519 -18.174 -1.240 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.697 -16.634 -1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.121 -19.591 -1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.762 -19.057 -2.025 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.795 -17.610 -3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.290 -18.478 -3.679 1.00 0.00 H new ATOM 296 N GLY A 23 -3.519 -16.837 -0.128 1.00 0.00 N ATOM 297 CA GLY A 23 -4.473 -16.791 0.965 1.00 0.00 C ATOM 298 C GLY A 23 -4.094 -15.772 2.022 1.00 0.00 C ATOM 299 O GLY A 23 -4.962 -15.139 2.622 1.00 0.00 O ATOM 0 H GLY A 23 -3.779 -16.288 -0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.461 -16.552 0.571 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.543 -17.777 1.424 1.00 0.00 H new ATOM 303 N ALA A 24 -2.794 -15.616 2.252 1.00 0.00 N ATOM 304 CA ALA A 24 -2.303 -14.668 3.244 1.00 0.00 C ATOM 305 C ALA A 24 -2.724 -13.244 2.898 1.00 0.00 C ATOM 306 O ALA A 24 -3.397 -13.010 1.893 1.00 0.00 O ATOM 307 CB ALA A 24 -0.788 -14.759 3.356 1.00 0.00 C ATOM 0 H ALA A 24 -2.063 -16.134 1.765 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.744 -14.926 4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.435 -14.045 4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.505 -15.768 3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.337 -14.529 2.391 1.00 0.00 H new ATOM 313 N THR A 25 -2.325 -12.293 3.737 1.00 0.00 N ATOM 314 CA THR A 25 -2.663 -10.892 3.521 1.00 0.00 C ATOM 315 C THR A 25 -1.408 -10.039 3.375 1.00 0.00 C ATOM 316 O THR A 25 -0.744 -9.721 4.361 1.00 0.00 O ATOM 317 CB THR A 25 -3.516 -10.335 4.677 1.00 0.00 C ATOM 318 OG1 THR A 25 -4.729 -11.087 4.797 1.00 0.00 O ATOM 319 CG2 THR A 25 -3.844 -8.867 4.449 1.00 0.00 C ATOM 0 H THR A 25 -1.767 -12.468 4.573 1.00 0.00 H new ATOM 0 HA THR A 25 -3.240 -10.846 2.597 1.00 0.00 H new ATOM 0 HB THR A 25 -2.941 -10.424 5.599 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.265 -10.728 5.535 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.447 -8.496 5.278 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.919 -8.293 4.387 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.401 -8.759 3.518 1.00 0.00 H new ATOM 327 N ALA A 26 -1.088 -9.673 2.138 1.00 0.00 N ATOM 328 CA ALA A 26 0.087 -8.855 1.863 1.00 0.00 C ATOM 329 C ALA A 26 0.112 -7.615 2.751 1.00 0.00 C ATOM 330 O ALA A 26 -0.762 -7.428 3.596 1.00 0.00 O ATOM 331 CB ALA A 26 0.121 -8.456 0.395 1.00 0.00 C ATOM 0 H ALA A 26 -1.626 -9.930 1.310 1.00 0.00 H new ATOM 0 HA ALA A 26 0.973 -9.449 2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.004 -7.846 0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.159 -9.352 -0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.775 -7.884 0.152 1.00 0.00 H new ATOM 337 N MET A 27 1.120 -6.772 2.553 1.00 0.00 N ATOM 338 CA MET A 27 1.259 -5.550 3.336 1.00 0.00 C ATOM 339 C MET A 27 2.074 -4.507 2.578 1.00 0.00 C ATOM 340 O MET A 27 3.295 -4.624 2.461 1.00 0.00 O ATOM 341 CB MET A 27 1.921 -5.852 4.681 1.00 0.00 C ATOM 342 CG MET A 27 2.045 -4.636 5.585 1.00 0.00 C ATOM 343 SD MET A 27 0.451 -4.069 6.208 1.00 0.00 S ATOM 344 CE MET A 27 0.067 -2.777 5.028 1.00 0.00 C ATOM 0 H MET A 27 1.852 -6.913 1.857 1.00 0.00 H new ATOM 0 HA MET A 27 0.262 -5.147 3.513 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.344 -6.620 5.196 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.914 -6.265 4.503 1.00 0.00 H new ATOM 0 HG2 MET A 27 2.694 -4.878 6.426 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.525 -3.826 5.035 1.00 0.00 H new ATOM 0 HE1 MET A 27 -0.978 -2.857 4.728 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.239 -1.803 5.486 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.706 -2.883 4.151 1.00 0.00 H new ATOM 354 N LEU A 28 1.392 -3.490 2.063 1.00 0.00 N ATOM 355 CA LEU A 28 2.054 -2.427 1.314 1.00 0.00 C ATOM 356 C LEU A 28 1.853 -1.076 1.995 1.00 0.00 C ATOM 357 O LEU A 28 0.725 -0.609 2.149 1.00 0.00 O ATOM 358 CB LEU A 28 1.518 -2.374 -0.117 1.00 0.00 C ATOM 359 CG LEU A 28 1.853 -3.573 -1.004 1.00 0.00 C ATOM 360 CD1 LEU A 28 0.864 -3.681 -2.154 1.00 0.00 C ATOM 361 CD2 LEU A 28 3.277 -3.465 -1.532 1.00 0.00 C ATOM 0 H LEU A 28 0.382 -3.379 2.150 1.00 0.00 H new ATOM 0 HA LEU A 28 3.122 -2.645 1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.434 -2.271 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.905 -1.474 -0.595 1.00 0.00 H new ATOM 0 HG LEU A 28 1.777 -4.478 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.119 -4.540 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.143 -3.806 -1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.906 -2.774 -2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.498 -4.327 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.379 -2.552 -2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.974 -3.439 -0.695 1.00 0.00 H new ATOM 373 N TRP A 29 2.955 -0.453 2.397 1.00 0.00 N ATOM 374 CA TRP A 29 2.900 0.845 3.059 1.00 0.00 C ATOM 375 C TRP A 29 3.858 1.832 2.402 1.00 0.00 C ATOM 376 O TRP A 29 4.817 1.433 1.739 1.00 0.00 O ATOM 377 CB TRP A 29 3.238 0.699 4.544 1.00 0.00 C ATOM 378 CG TRP A 29 4.690 0.425 4.798 1.00 0.00 C ATOM 379 CD1 TRP A 29 5.274 -0.795 4.980 1.00 0.00 C ATOM 380 CD2 TRP A 29 5.739 1.394 4.900 1.00 0.00 C ATOM 381 NE1 TRP A 29 6.624 -0.644 5.190 1.00 0.00 N ATOM 382 CE2 TRP A 29 6.934 0.689 5.144 1.00 0.00 C ATOM 383 CE3 TRP A 29 5.786 2.787 4.807 1.00 0.00 C ATOM 384 CZ2 TRP A 29 8.159 1.333 5.297 1.00 0.00 C ATOM 385 CZ3 TRP A 29 7.003 3.424 4.959 1.00 0.00 C ATOM 386 CH2 TRP A 29 8.176 2.697 5.201 1.00 0.00 C ATOM 0 H TRP A 29 3.897 -0.826 2.276 1.00 0.00 H new ATOM 0 HA TRP A 29 1.886 1.232 2.961 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.951 1.612 5.066 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.643 -0.111 4.967 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.752 -1.740 4.962 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.287 -1.402 5.354 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.887 3.356 4.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 9.064 0.775 5.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.051 4.501 4.890 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.112 3.224 5.314 1.00 0.00 H new ATOM 397 N CYS A 30 3.594 3.121 2.589 1.00 0.00 N ATOM 398 CA CYS A 30 4.434 4.165 2.013 1.00 0.00 C ATOM 399 C CYS A 30 4.272 5.475 2.776 1.00 0.00 C ATOM 400 O CYS A 30 3.183 5.799 3.249 1.00 0.00 O ATOM 401 CB CYS A 30 4.085 4.373 0.538 1.00 0.00 C ATOM 402 SG CYS A 30 2.374 4.881 0.249 1.00 0.00 S ATOM 0 H CYS A 30 2.805 3.468 3.135 1.00 0.00 H new ATOM 0 HA CYS A 30 5.473 3.846 2.091 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.752 5.127 0.121 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.274 3.446 -0.003 1.00 0.00 H new ATOM 0 HG CYS A 30 1.913 5.476 1.309 1.00 0.00 H new ATOM 408 N GLU A 31 5.365 6.224 2.894 1.00 0.00 N ATOM 409 CA GLU A 31 5.344 7.498 3.603 1.00 0.00 C ATOM 410 C GLU A 31 5.227 8.663 2.625 1.00 0.00 C ATOM 411 O GLU A 31 5.539 8.528 1.441 1.00 0.00 O ATOM 412 CB GLU A 31 6.607 7.655 4.452 1.00 0.00 C ATOM 413 CG GLU A 31 6.464 7.111 5.863 1.00 0.00 C ATOM 414 CD GLU A 31 7.764 7.156 6.641 1.00 0.00 C ATOM 415 OE1 GLU A 31 8.593 6.239 6.467 1.00 0.00 O ATOM 416 OE2 GLU A 31 7.953 8.111 7.424 1.00 0.00 O ATOM 0 H GLU A 31 6.275 5.970 2.508 1.00 0.00 H new ATOM 0 HA GLU A 31 4.472 7.507 4.257 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.433 7.144 3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.871 8.711 4.504 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.707 7.687 6.395 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.108 6.082 5.817 1.00 0.00 H new ATOM 423 N LEU A 32 4.775 9.807 3.127 1.00 0.00 N ATOM 424 CA LEU A 32 4.616 10.997 2.299 1.00 0.00 C ATOM 425 C LEU A 32 5.025 12.252 3.064 1.00 0.00 C ATOM 426 O LEU A 32 4.853 12.333 4.280 1.00 0.00 O ATOM 427 CB LEU A 32 3.167 11.123 1.826 1.00 0.00 C ATOM 428 CG LEU A 32 2.506 9.834 1.336 1.00 0.00 C ATOM 429 CD1 LEU A 32 1.007 9.873 1.591 1.00 0.00 C ATOM 430 CD2 LEU A 32 2.792 9.618 -0.143 1.00 0.00 C ATOM 0 H LEU A 32 4.512 9.935 4.104 1.00 0.00 H new ATOM 0 HA LEU A 32 5.267 10.895 1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.572 11.524 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.132 11.855 1.019 1.00 0.00 H new ATOM 0 HG LEU A 32 2.927 8.997 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.553 8.948 1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.822 9.981 2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.570 10.719 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.314 8.696 -0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.399 10.458 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.868 9.545 -0.299 1.00 0.00 H new ATOM 442 N SER A 33 5.564 13.229 2.342 1.00 0.00 N ATOM 443 CA SER A 33 5.999 14.480 2.953 1.00 0.00 C ATOM 444 C SER A 33 4.943 15.008 3.919 1.00 0.00 C ATOM 445 O SER A 33 5.261 15.693 4.892 1.00 0.00 O ATOM 446 CB SER A 33 6.288 15.525 1.874 1.00 0.00 C ATOM 447 OG SER A 33 7.238 16.475 2.326 1.00 0.00 O ATOM 0 H SER A 33 5.710 13.179 1.334 1.00 0.00 H new ATOM 0 HA SER A 33 6.913 14.284 3.513 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.661 15.032 0.976 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.364 16.033 1.598 1.00 0.00 H new ATOM 0 HG SER A 33 7.407 17.131 1.618 1.00 0.00 H new ATOM 453 N LYS A 34 3.684 14.684 3.645 1.00 0.00 N ATOM 454 CA LYS A 34 2.579 15.123 4.489 1.00 0.00 C ATOM 455 C LYS A 34 1.333 14.281 4.235 1.00 0.00 C ATOM 456 O LYS A 34 0.962 14.033 3.088 1.00 0.00 O ATOM 457 CB LYS A 34 2.270 16.600 4.232 1.00 0.00 C ATOM 458 CG LYS A 34 2.137 16.947 2.759 1.00 0.00 C ATOM 459 CD LYS A 34 1.177 18.105 2.544 1.00 0.00 C ATOM 460 CE LYS A 34 -0.250 17.617 2.348 1.00 0.00 C ATOM 461 NZ LYS A 34 -1.241 18.715 2.520 1.00 0.00 N ATOM 0 H LYS A 34 3.403 14.118 2.844 1.00 0.00 H new ATOM 0 HA LYS A 34 2.876 14.996 5.530 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.344 16.863 4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.060 17.209 4.670 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.116 17.205 2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.785 16.074 2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.218 18.777 3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.489 18.680 1.672 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.353 17.188 1.351 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.463 16.821 3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.201 18.341 2.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.160 19.108 3.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.054 19.463 1.822 1.00 0.00 H new ATOM 475 N VAL A 35 0.689 13.845 5.313 1.00 0.00 N ATOM 476 CA VAL A 35 -0.517 13.033 5.207 1.00 0.00 C ATOM 477 C VAL A 35 -1.431 13.548 4.101 1.00 0.00 C ATOM 478 O VAL A 35 -1.709 14.744 4.017 1.00 0.00 O ATOM 479 CB VAL A 35 -1.299 13.013 6.535 1.00 0.00 C ATOM 480 CG1 VAL A 35 -1.719 14.421 6.928 1.00 0.00 C ATOM 481 CG2 VAL A 35 -2.508 12.097 6.427 1.00 0.00 C ATOM 0 H VAL A 35 0.983 14.041 6.270 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.196 12.019 4.967 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.646 12.623 7.316 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.270 14.387 7.868 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.833 15.045 7.049 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.355 14.842 6.149 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.049 12.095 7.374 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.166 12.454 5.634 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.178 11.084 6.196 1.00 0.00 H new ATOM 491 N ALA A 36 -1.895 12.636 3.253 1.00 0.00 N ATOM 492 CA ALA A 36 -2.780 12.997 2.152 1.00 0.00 C ATOM 493 C ALA A 36 -3.552 11.783 1.647 1.00 0.00 C ATOM 494 O ALA A 36 -3.151 10.636 1.846 1.00 0.00 O ATOM 495 CB ALA A 36 -1.983 13.627 1.019 1.00 0.00 C ATOM 0 H ALA A 36 -1.673 11.642 3.307 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.502 13.725 2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.656 13.892 0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.482 14.525 1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.239 12.917 0.659 1.00 0.00 H new ATOM 501 N PRO A 37 -4.686 12.038 0.978 1.00 0.00 N ATOM 502 CA PRO A 37 -5.538 10.978 0.431 1.00 0.00 C ATOM 503 C PRO A 37 -4.888 10.262 -0.748 1.00 0.00 C ATOM 504 O PRO A 37 -4.806 10.807 -1.849 1.00 0.00 O ATOM 505 CB PRO A 37 -6.791 11.729 -0.024 1.00 0.00 C ATOM 506 CG PRO A 37 -6.325 13.120 -0.287 1.00 0.00 C ATOM 507 CD PRO A 37 -5.224 13.381 0.703 1.00 0.00 C ATOM 0 HA PRO A 37 -5.736 10.196 1.164 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.219 11.279 -0.920 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.565 11.709 0.743 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.963 13.224 -1.310 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.139 13.834 -0.163 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.462 14.042 0.291 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.602 13.855 1.609 1.00 0.00 H new ATOM 515 N VAL A 38 -4.427 9.038 -0.511 1.00 0.00 N ATOM 516 CA VAL A 38 -3.786 8.247 -1.554 1.00 0.00 C ATOM 517 C VAL A 38 -4.808 7.415 -2.320 1.00 0.00 C ATOM 518 O VAL A 38 -5.963 7.303 -1.911 1.00 0.00 O ATOM 519 CB VAL A 38 -2.713 7.310 -0.968 1.00 0.00 C ATOM 520 CG1 VAL A 38 -1.576 8.115 -0.358 1.00 0.00 C ATOM 521 CG2 VAL A 38 -3.328 6.375 0.062 1.00 0.00 C ATOM 0 H VAL A 38 -4.486 8.573 0.395 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.310 8.951 -2.237 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.304 6.704 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.828 7.436 0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.119 8.739 -1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.965 8.748 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.556 5.720 0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.766 6.961 0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.104 5.773 -0.411 1.00 0.00 H new ATOM 531 N GLU A 39 -4.375 6.833 -3.434 1.00 0.00 N ATOM 532 CA GLU A 39 -5.253 6.011 -4.258 1.00 0.00 C ATOM 533 C GLU A 39 -4.505 4.804 -4.815 1.00 0.00 C ATOM 534 O GLU A 39 -3.671 4.937 -5.711 1.00 0.00 O ATOM 535 CB GLU A 39 -5.835 6.839 -5.405 1.00 0.00 C ATOM 536 CG GLU A 39 -6.512 8.120 -4.949 1.00 0.00 C ATOM 537 CD GLU A 39 -7.599 8.577 -5.904 1.00 0.00 C ATOM 538 OE1 GLU A 39 -8.191 7.716 -6.586 1.00 0.00 O ATOM 539 OE2 GLU A 39 -7.856 9.798 -5.968 1.00 0.00 O ATOM 0 H GLU A 39 -3.421 6.916 -3.786 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.068 5.652 -3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.036 7.089 -6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.557 6.231 -5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.943 7.966 -3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.764 8.907 -4.852 1.00 0.00 H new ATOM 546 N TRP A 40 -4.809 3.628 -4.278 1.00 0.00 N ATOM 547 CA TRP A 40 -4.164 2.397 -4.721 1.00 0.00 C ATOM 548 C TRP A 40 -4.817 1.868 -5.994 1.00 0.00 C ATOM 549 O TRP A 40 -6.042 1.825 -6.102 1.00 0.00 O ATOM 550 CB TRP A 40 -4.232 1.337 -3.621 1.00 0.00 C ATOM 551 CG TRP A 40 -3.725 1.822 -2.297 1.00 0.00 C ATOM 552 CD1 TRP A 40 -4.357 2.680 -1.442 1.00 0.00 C ATOM 553 CD2 TRP A 40 -2.481 1.479 -1.677 1.00 0.00 C ATOM 554 NE1 TRP A 40 -3.579 2.891 -0.328 1.00 0.00 N ATOM 555 CE2 TRP A 40 -2.424 2.165 -0.448 1.00 0.00 C ATOM 556 CE3 TRP A 40 -1.410 0.658 -2.041 1.00 0.00 C ATOM 557 CZ2 TRP A 40 -1.338 2.054 0.416 1.00 0.00 C ATOM 558 CZ3 TRP A 40 -0.333 0.549 -1.182 1.00 0.00 C ATOM 559 CH2 TRP A 40 -0.303 1.243 0.035 1.00 0.00 C ATOM 0 H TRP A 40 -5.497 3.501 -3.536 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.119 2.621 -4.936 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.265 1.007 -3.508 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.651 0.467 -3.928 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.325 3.127 -1.615 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.823 3.491 0.460 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.424 0.119 -2.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.313 2.589 1.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.500 -0.082 -1.453 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.553 1.136 0.685 1.00 0.00 H new ATOM 570 N ARG A 41 -3.991 1.467 -6.955 1.00 0.00 N ATOM 571 CA ARG A 41 -4.488 0.943 -8.221 1.00 0.00 C ATOM 572 C ARG A 41 -3.568 -0.150 -8.756 1.00 0.00 C ATOM 573 O ARG A 41 -2.381 -0.193 -8.430 1.00 0.00 O ATOM 574 CB ARG A 41 -4.614 2.068 -9.250 1.00 0.00 C ATOM 575 CG ARG A 41 -5.963 2.768 -9.224 1.00 0.00 C ATOM 576 CD ARG A 41 -5.842 4.224 -9.648 1.00 0.00 C ATOM 577 NE ARG A 41 -7.102 4.748 -10.168 1.00 0.00 N ATOM 578 CZ ARG A 41 -7.590 4.436 -11.364 1.00 0.00 C ATOM 579 NH1 ARG A 41 -6.928 3.606 -12.158 1.00 0.00 N ATOM 580 NH2 ARG A 41 -8.743 4.954 -11.767 1.00 0.00 N ATOM 0 H ARG A 41 -2.974 1.495 -6.881 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.473 0.511 -8.044 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.829 2.803 -9.071 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.446 1.659 -10.246 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.656 2.251 -9.888 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.383 2.714 -8.220 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.523 4.825 -8.796 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.068 4.317 -10.410 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.637 5.388 -9.581 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.042 3.205 -11.851 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.305 3.368 -13.075 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.256 5.592 -11.159 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.117 4.714 -12.685 1.00 0.00 H new ATOM 594 N LYS A 42 -4.123 -1.033 -9.580 1.00 0.00 N ATOM 595 CA LYS A 42 -3.353 -2.126 -10.162 1.00 0.00 C ATOM 596 C LYS A 42 -3.435 -2.099 -11.685 1.00 0.00 C ATOM 597 O LYS A 42 -4.282 -2.762 -12.282 1.00 0.00 O ATOM 598 CB LYS A 42 -3.861 -3.471 -9.637 1.00 0.00 C ATOM 599 CG LYS A 42 -2.894 -4.619 -9.871 1.00 0.00 C ATOM 600 CD LYS A 42 -3.309 -5.862 -9.101 1.00 0.00 C ATOM 601 CE LYS A 42 -2.848 -7.131 -9.801 1.00 0.00 C ATOM 602 NZ LYS A 42 -3.866 -7.633 -10.765 1.00 0.00 N ATOM 0 H LYS A 42 -5.104 -1.013 -9.860 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.311 -1.999 -9.870 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.057 -3.384 -8.568 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.811 -3.704 -10.117 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.849 -4.847 -10.936 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.891 -4.319 -9.567 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.888 -5.826 -8.096 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.393 -5.879 -8.992 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.914 -6.936 -10.328 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.641 -7.901 -9.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.515 -8.499 -11.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.750 -7.843 -10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.046 -6.908 -11.489 1.00 0.00 H new ATOM 616 N GLY A 43 -2.548 -1.328 -12.307 1.00 0.00 N ATOM 617 CA GLY A 43 -2.537 -1.230 -13.755 1.00 0.00 C ATOM 618 C GLY A 43 -3.900 -0.887 -14.323 1.00 0.00 C ATOM 619 O GLY A 43 -4.477 0.157 -14.021 1.00 0.00 O ATOM 0 H GLY A 43 -1.837 -0.770 -11.834 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.818 -0.469 -14.059 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.198 -2.176 -14.178 1.00 0.00 H new ATOM 623 N PRO A 44 -4.434 -1.780 -15.170 1.00 0.00 N ATOM 624 CA PRO A 44 -5.743 -1.587 -15.801 1.00 0.00 C ATOM 625 C PRO A 44 -6.890 -1.701 -14.802 1.00 0.00 C ATOM 626 O PRO A 44 -8.038 -1.397 -15.125 1.00 0.00 O ATOM 627 CB PRO A 44 -5.813 -2.721 -16.826 1.00 0.00 C ATOM 628 CG PRO A 44 -4.908 -3.775 -16.288 1.00 0.00 C ATOM 629 CD PRO A 44 -3.802 -3.046 -15.576 1.00 0.00 C ATOM 0 HA PRO A 44 -5.843 -0.593 -16.237 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -6.832 -3.093 -16.936 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.488 -2.385 -17.811 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.442 -4.437 -15.606 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.512 -4.397 -17.091 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.439 -3.608 -14.715 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.946 -2.876 -16.230 1.00 0.00 H new ATOM 637 N GLU A 45 -6.571 -2.139 -13.589 1.00 0.00 N ATOM 638 CA GLU A 45 -7.577 -2.293 -12.544 1.00 0.00 C ATOM 639 C GLU A 45 -7.618 -1.061 -11.644 1.00 0.00 C ATOM 640 O GLU A 45 -6.717 -0.225 -11.676 1.00 0.00 O ATOM 641 CB GLU A 45 -7.288 -3.540 -11.706 1.00 0.00 C ATOM 642 CG GLU A 45 -7.950 -4.799 -12.240 1.00 0.00 C ATOM 643 CD GLU A 45 -9.361 -4.983 -11.714 1.00 0.00 C ATOM 644 OE1 GLU A 45 -9.510 -5.423 -10.555 1.00 0.00 O ATOM 645 OE2 GLU A 45 -10.316 -4.687 -12.463 1.00 0.00 O ATOM 0 H GLU A 45 -5.625 -2.393 -13.305 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.549 -2.405 -13.024 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.210 -3.697 -11.663 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.626 -3.367 -10.684 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.974 -4.759 -13.329 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.348 -5.666 -11.967 1.00 0.00 H new ATOM 652 N ASN A 46 -8.673 -0.957 -10.842 1.00 0.00 N ATOM 653 CA ASN A 46 -8.834 0.173 -9.934 1.00 0.00 C ATOM 654 C ASN A 46 -9.160 -0.305 -8.523 1.00 0.00 C ATOM 655 O ASN A 46 -10.264 -0.782 -8.256 1.00 0.00 O ATOM 656 CB ASN A 46 -9.939 1.105 -10.436 1.00 0.00 C ATOM 657 CG ASN A 46 -11.263 0.387 -10.616 1.00 0.00 C ATOM 658 OD1 ASN A 46 -11.326 -0.500 -11.603 1.00 0.00 O flip ATOM 659 ND2 ASN A 46 -12.217 0.628 -9.877 1.00 0.00 N flip ATOM 0 H ASN A 46 -9.429 -1.641 -10.802 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.892 0.720 -9.905 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.067 1.926 -9.730 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.636 1.546 -11.386 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.123 1.318 -9.131 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -13.102 0.138 -10.010 1.00 0.00 H new ATOM 666 N LEU A 47 -8.193 -0.175 -7.622 1.00 0.00 N ATOM 667 CA LEU A 47 -8.376 -0.594 -6.236 1.00 0.00 C ATOM 668 C LEU A 47 -8.812 0.581 -5.366 1.00 0.00 C ATOM 669 O LEU A 47 -8.658 1.741 -5.749 1.00 0.00 O ATOM 670 CB LEU A 47 -7.081 -1.196 -5.689 1.00 0.00 C ATOM 671 CG LEU A 47 -6.340 -2.154 -6.622 1.00 0.00 C ATOM 672 CD1 LEU A 47 -4.959 -2.475 -6.071 1.00 0.00 C ATOM 673 CD2 LEU A 47 -7.144 -3.430 -6.826 1.00 0.00 C ATOM 0 H LEU A 47 -7.274 0.217 -7.826 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.159 -1.351 -6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.407 -0.380 -5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.312 -1.726 -4.765 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.219 -1.666 -7.589 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.447 -3.158 -6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.382 -1.555 -5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.058 -2.942 -5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.601 -4.100 -7.493 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.298 -3.921 -5.865 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.110 -3.185 -7.267 1.00 0.00 H new ATOM 685 N ARG A 48 -9.353 0.272 -4.192 1.00 0.00 N ATOM 686 CA ARG A 48 -9.810 1.302 -3.266 1.00 0.00 C ATOM 687 C ARG A 48 -10.272 0.684 -1.950 1.00 0.00 C ATOM 688 O ARG A 48 -10.487 -0.525 -1.862 1.00 0.00 O ATOM 689 CB ARG A 48 -10.949 2.110 -3.891 1.00 0.00 C ATOM 690 CG ARG A 48 -12.192 1.286 -4.183 1.00 0.00 C ATOM 691 CD ARG A 48 -13.264 2.118 -4.868 1.00 0.00 C ATOM 692 NE ARG A 48 -14.154 2.763 -3.906 1.00 0.00 N ATOM 693 CZ ARG A 48 -14.852 3.861 -4.172 1.00 0.00 C ATOM 694 NH1 ARG A 48 -14.765 4.433 -5.365 1.00 0.00 N ATOM 695 NH2 ARG A 48 -15.641 4.389 -3.245 1.00 0.00 N ATOM 0 H ARG A 48 -9.486 -0.683 -3.859 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.972 1.968 -3.060 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.214 2.927 -3.220 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.597 2.561 -4.818 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.928 0.439 -4.816 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.586 0.878 -3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -12.791 2.878 -5.490 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.848 1.481 -5.532 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.244 2.347 -2.979 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.161 4.030 -6.081 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -15.302 5.276 -5.567 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.712 3.952 -2.326 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.176 5.232 -3.451 1.00 0.00 H new ATOM 709 N ASP A 49 -10.423 1.521 -0.930 1.00 0.00 N ATOM 710 CA ASP A 49 -10.860 1.058 0.382 1.00 0.00 C ATOM 711 C ASP A 49 -12.156 0.260 0.272 1.00 0.00 C ATOM 712 O ASP A 49 -13.236 0.828 0.119 1.00 0.00 O ATOM 713 CB ASP A 49 -11.056 2.244 1.326 1.00 0.00 C ATOM 714 CG ASP A 49 -12.116 3.209 0.832 1.00 0.00 C ATOM 715 OD1 ASP A 49 -11.779 4.094 0.018 1.00 0.00 O ATOM 716 OD2 ASP A 49 -13.283 3.079 1.260 1.00 0.00 O ATOM 0 H ASP A 49 -10.249 2.524 -0.986 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.086 0.406 0.787 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.336 1.876 2.313 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.111 2.774 1.439 1.00 0.00 H new ATOM 721 N GLY A 50 -12.039 -1.063 0.349 1.00 0.00 N ATOM 722 CA GLY A 50 -13.208 -1.917 0.255 1.00 0.00 C ATOM 723 C GLY A 50 -13.173 -3.059 1.251 1.00 0.00 C ATOM 724 O GLY A 50 -12.149 -3.304 1.889 1.00 0.00 O ATOM 0 H GLY A 50 -11.156 -1.558 0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.105 -1.320 0.423 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.278 -2.322 -0.755 1.00 0.00 H new ATOM 728 N ASP A 51 -14.295 -3.759 1.386 1.00 0.00 N ATOM 729 CA ASP A 51 -14.389 -4.881 2.313 1.00 0.00 C ATOM 730 C ASP A 51 -13.157 -5.775 2.210 1.00 0.00 C ATOM 731 O ASP A 51 -12.440 -5.975 3.190 1.00 0.00 O ATOM 732 CB ASP A 51 -15.651 -5.697 2.032 1.00 0.00 C ATOM 733 CG ASP A 51 -16.184 -6.386 3.273 1.00 0.00 C ATOM 734 OD1 ASP A 51 -15.527 -7.334 3.753 1.00 0.00 O ATOM 735 OD2 ASP A 51 -17.257 -5.977 3.764 1.00 0.00 O ATOM 0 H ASP A 51 -15.151 -3.569 0.865 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.442 -4.481 3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -16.421 -5.041 1.625 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.434 -6.445 1.270 1.00 0.00 H new ATOM 740 N ARG A 52 -12.918 -6.310 1.017 1.00 0.00 N ATOM 741 CA ARG A 52 -11.775 -7.185 0.787 1.00 0.00 C ATOM 742 C ARG A 52 -10.464 -6.418 0.939 1.00 0.00 C ATOM 743 O ARG A 52 -9.515 -6.906 1.552 1.00 0.00 O ATOM 744 CB ARG A 52 -11.855 -7.808 -0.608 1.00 0.00 C ATOM 745 CG ARG A 52 -11.946 -6.785 -1.728 1.00 0.00 C ATOM 746 CD ARG A 52 -12.721 -7.329 -2.918 1.00 0.00 C ATOM 747 NE ARG A 52 -14.157 -7.102 -2.785 1.00 0.00 N ATOM 748 CZ ARG A 52 -14.760 -5.975 -3.145 1.00 0.00 C ATOM 749 NH1 ARG A 52 -14.054 -4.976 -3.657 1.00 0.00 N ATOM 750 NH2 ARG A 52 -16.072 -5.844 -2.993 1.00 0.00 N ATOM 0 H ARG A 52 -13.501 -6.153 0.195 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.801 -7.979 1.534 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.976 -8.433 -0.769 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.725 -8.463 -0.655 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.431 -5.882 -1.359 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.943 -6.501 -2.045 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.362 -6.855 -3.832 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.530 -8.398 -3.017 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.729 -7.851 -2.394 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.045 -5.072 -3.775 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.520 -4.111 -3.933 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.619 -6.610 -2.599 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.534 -4.978 -3.270 1.00 0.00 H new ATOM 764 N TYR A 53 -10.421 -5.216 0.376 1.00 0.00 N ATOM 765 CA TYR A 53 -9.226 -4.382 0.445 1.00 0.00 C ATOM 766 C TYR A 53 -9.221 -3.543 1.720 1.00 0.00 C ATOM 767 O TYR A 53 -9.890 -2.513 1.801 1.00 0.00 O ATOM 768 CB TYR A 53 -9.143 -3.469 -0.779 1.00 0.00 C ATOM 769 CG TYR A 53 -8.807 -4.202 -2.059 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.503 -4.595 -2.335 1.00 0.00 C ATOM 771 CD2 TYR A 53 -9.792 -4.500 -2.991 1.00 0.00 C ATOM 772 CE1 TYR A 53 -7.191 -5.263 -3.503 1.00 0.00 C ATOM 773 CE2 TYR A 53 -9.489 -5.170 -4.161 1.00 0.00 C ATOM 774 CZ TYR A 53 -8.187 -5.549 -4.412 1.00 0.00 C ATOM 775 OH TYR A 53 -7.881 -6.215 -5.577 1.00 0.00 O ATOM 0 H TYR A 53 -11.199 -4.797 -0.133 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.356 -5.039 0.459 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.096 -2.955 -0.904 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.389 -2.703 -0.600 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.720 -4.374 -1.624 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -10.812 -4.203 -2.798 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.172 -5.560 -3.703 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.267 -5.396 -4.875 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.696 -6.339 -6.107 1.00 0.00 H new ATOM 785 N ILE A 54 -8.460 -3.993 2.713 1.00 0.00 N ATOM 786 CA ILE A 54 -8.366 -3.284 3.983 1.00 0.00 C ATOM 787 C ILE A 54 -7.320 -2.176 3.917 1.00 0.00 C ATOM 788 O ILE A 54 -6.124 -2.426 4.073 1.00 0.00 O ATOM 789 CB ILE A 54 -8.012 -4.240 5.136 1.00 0.00 C ATOM 790 CG1 ILE A 54 -9.068 -5.340 5.258 1.00 0.00 C ATOM 791 CG2 ILE A 54 -7.888 -3.471 6.443 1.00 0.00 C ATOM 792 CD1 ILE A 54 -8.612 -6.530 6.074 1.00 0.00 C ATOM 0 H ILE A 54 -7.900 -4.844 2.662 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.346 -2.845 4.173 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.051 -4.707 4.919 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.966 -4.921 5.712 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.344 -5.679 4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.637 -4.161 7.249 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.103 -2.721 6.351 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.835 -2.980 6.667 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.412 -7.269 6.118 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.732 -6.974 5.609 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.363 -6.205 7.084 1.00 0.00 H new ATOM 804 N LEU A 55 -7.778 -0.950 3.687 1.00 0.00 N ATOM 805 CA LEU A 55 -6.883 0.198 3.603 1.00 0.00 C ATOM 806 C LEU A 55 -6.856 0.966 4.921 1.00 0.00 C ATOM 807 O LEU A 55 -7.856 1.026 5.637 1.00 0.00 O ATOM 808 CB LEU A 55 -7.318 1.127 2.468 1.00 0.00 C ATOM 809 CG LEU A 55 -7.043 0.628 1.049 1.00 0.00 C ATOM 810 CD1 LEU A 55 -7.849 -0.629 0.761 1.00 0.00 C ATOM 811 CD2 LEU A 55 -7.360 1.713 0.031 1.00 0.00 C ATOM 0 H LEU A 55 -8.764 -0.726 3.555 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.878 -0.171 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.388 1.311 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.816 2.086 2.598 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.984 0.382 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.641 -0.970 -0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.572 -1.409 1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.912 -0.410 0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.158 1.340 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.411 1.991 0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.738 2.587 0.225 1.00 0.00 H new ATOM 823 N ARG A 56 -5.705 1.552 5.235 1.00 0.00 N ATOM 824 CA ARG A 56 -5.548 2.317 6.466 1.00 0.00 C ATOM 825 C ARG A 56 -4.532 3.440 6.283 1.00 0.00 C ATOM 826 O ARG A 56 -3.631 3.344 5.450 1.00 0.00 O ATOM 827 CB ARG A 56 -5.110 1.399 7.609 1.00 0.00 C ATOM 828 CG ARG A 56 -6.267 0.712 8.316 1.00 0.00 C ATOM 829 CD ARG A 56 -5.777 -0.191 9.437 1.00 0.00 C ATOM 830 NE ARG A 56 -6.834 -1.069 9.934 1.00 0.00 N ATOM 831 CZ ARG A 56 -6.602 -2.177 10.629 1.00 0.00 C ATOM 832 NH1 ARG A 56 -5.358 -2.541 10.908 1.00 0.00 N ATOM 833 NH2 ARG A 56 -7.617 -2.924 11.046 1.00 0.00 N ATOM 0 H ARG A 56 -4.868 1.512 4.654 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.512 2.761 6.714 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.434 0.640 7.215 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.546 1.982 8.336 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.944 1.463 8.722 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.837 0.124 7.597 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.943 -0.794 9.078 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.399 0.421 10.256 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.803 -0.817 9.737 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.576 -1.970 10.589 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.183 -3.392 11.442 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.575 -2.647 10.833 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.439 -3.775 11.580 1.00 0.00 H new ATOM 847 N GLN A 57 -4.684 4.503 7.067 1.00 0.00 N ATOM 848 CA GLN A 57 -3.780 5.644 6.990 1.00 0.00 C ATOM 849 C GLN A 57 -3.559 6.258 8.368 1.00 0.00 C ATOM 850 O GLN A 57 -4.468 6.852 8.946 1.00 0.00 O ATOM 851 CB GLN A 57 -4.336 6.698 6.032 1.00 0.00 C ATOM 852 CG GLN A 57 -3.379 7.851 5.774 1.00 0.00 C ATOM 853 CD GLN A 57 -3.988 8.930 4.899 1.00 0.00 C ATOM 854 OE1 GLN A 57 -5.206 9.106 4.868 1.00 0.00 O ATOM 855 NE2 GLN A 57 -3.140 9.659 4.183 1.00 0.00 N ATOM 0 H GLN A 57 -5.424 4.597 7.762 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.821 5.290 6.613 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.581 6.221 5.083 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.266 7.093 6.440 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.077 8.288 6.726 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.476 7.469 5.298 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.138 9.478 4.240 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.491 10.400 3.576 1.00 0.00 H new ATOM 864 N GLU A 58 -2.345 6.109 8.890 1.00 0.00 N ATOM 865 CA GLU A 58 -2.006 6.648 10.201 1.00 0.00 C ATOM 866 C GLU A 58 -1.191 7.931 10.068 1.00 0.00 C ATOM 867 O GLU A 58 -0.206 8.130 10.778 1.00 0.00 O ATOM 868 CB GLU A 58 -1.224 5.615 11.015 1.00 0.00 C ATOM 869 CG GLU A 58 -2.042 4.392 11.394 1.00 0.00 C ATOM 870 CD GLU A 58 -1.218 3.338 12.109 1.00 0.00 C ATOM 871 OE1 GLU A 58 -0.058 3.117 11.703 1.00 0.00 O ATOM 872 OE2 GLU A 58 -1.734 2.735 13.073 1.00 0.00 O ATOM 0 H GLU A 58 -1.581 5.620 8.425 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.935 6.881 10.721 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.354 5.296 10.441 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.851 6.088 11.923 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.870 4.697 12.034 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.478 3.958 10.494 1.00 0.00 H new ATOM 879 N GLY A 59 -1.609 8.799 9.152 1.00 0.00 N ATOM 880 CA GLY A 59 -0.907 10.051 8.941 1.00 0.00 C ATOM 881 C GLY A 59 -0.154 10.079 7.626 1.00 0.00 C ATOM 882 O GLY A 59 -0.722 9.801 6.570 1.00 0.00 O ATOM 0 H GLY A 59 -2.422 8.657 8.552 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.622 10.873 8.964 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.207 10.214 9.760 1.00 0.00 H new ATOM 886 N THR A 60 1.130 10.418 7.689 1.00 0.00 N ATOM 887 CA THR A 60 1.962 10.484 6.494 1.00 0.00 C ATOM 888 C THR A 60 2.149 9.103 5.877 1.00 0.00 C ATOM 889 O THR A 60 2.222 8.963 4.656 1.00 0.00 O ATOM 890 CB THR A 60 3.345 11.087 6.805 1.00 0.00 C ATOM 891 OG1 THR A 60 3.931 10.415 7.925 1.00 0.00 O ATOM 892 CG2 THR A 60 3.234 12.575 7.101 1.00 0.00 C ATOM 0 H THR A 60 1.616 10.651 8.555 1.00 0.00 H new ATOM 0 HA THR A 60 1.444 11.129 5.784 1.00 0.00 H new ATOM 0 HB THR A 60 3.980 10.954 5.929 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.811 10.803 8.116 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.223 12.978 7.318 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.815 13.088 6.235 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.584 12.727 7.963 1.00 0.00 H new ATOM 900 N ARG A 61 2.226 8.085 6.728 1.00 0.00 N ATOM 901 CA ARG A 61 2.405 6.714 6.265 1.00 0.00 C ATOM 902 C ARG A 61 1.056 6.040 6.028 1.00 0.00 C ATOM 903 O ARG A 61 0.113 6.229 6.797 1.00 0.00 O ATOM 904 CB ARG A 61 3.216 5.912 7.283 1.00 0.00 C ATOM 905 CG ARG A 61 3.213 4.415 7.021 1.00 0.00 C ATOM 906 CD ARG A 61 3.582 3.629 8.270 1.00 0.00 C ATOM 907 NE ARG A 61 2.949 2.314 8.297 1.00 0.00 N ATOM 908 CZ ARG A 61 3.363 1.314 9.067 1.00 0.00 C ATOM 909 NH1 ARG A 61 4.405 1.480 9.870 1.00 0.00 N ATOM 910 NH2 ARG A 61 2.735 0.146 9.035 1.00 0.00 N ATOM 0 H ARG A 61 2.167 8.184 7.742 1.00 0.00 H new ATOM 0 HA ARG A 61 2.948 6.743 5.320 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.245 6.271 7.279 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.818 6.099 8.280 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.226 4.107 6.675 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.918 4.183 6.223 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.665 3.511 8.317 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.284 4.193 9.154 1.00 0.00 H new ATOM 0 HE ARG A 61 2.144 2.154 7.691 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.890 2.377 9.897 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.721 0.711 10.461 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.933 0.015 8.418 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.054 -0.621 9.627 1.00 0.00 H new ATOM 924 N CYS A 62 0.973 5.255 4.960 1.00 0.00 N ATOM 925 CA CYS A 62 -0.260 4.554 4.620 1.00 0.00 C ATOM 926 C CYS A 62 -0.101 3.050 4.816 1.00 0.00 C ATOM 927 O CYS A 62 0.976 2.571 5.170 1.00 0.00 O ATOM 928 CB CYS A 62 -0.660 4.853 3.175 1.00 0.00 C ATOM 929 SG CYS A 62 -0.948 6.606 2.836 1.00 0.00 S ATOM 0 H CYS A 62 1.745 5.088 4.314 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.046 4.908 5.287 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.123 4.489 2.510 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.565 4.294 2.937 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.217 6.806 2.634 1.00 0.00 H new ATOM 935 N GLU A 63 -1.182 2.311 4.586 1.00 0.00 N ATOM 936 CA GLU A 63 -1.163 0.861 4.740 1.00 0.00 C ATOM 937 C GLU A 63 -2.252 0.209 3.893 1.00 0.00 C ATOM 938 O GLU A 63 -3.416 0.610 3.941 1.00 0.00 O ATOM 939 CB GLU A 63 -1.348 0.480 6.210 1.00 0.00 C ATOM 940 CG GLU A 63 -0.317 1.104 7.135 1.00 0.00 C ATOM 941 CD GLU A 63 -0.399 0.563 8.550 1.00 0.00 C ATOM 942 OE1 GLU A 63 -0.313 -0.671 8.720 1.00 0.00 O ATOM 943 OE2 GLU A 63 -0.550 1.375 9.487 1.00 0.00 O ATOM 0 H GLU A 63 -2.081 2.692 4.293 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.194 0.498 4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.344 0.783 6.533 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.299 -0.605 6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.681 0.920 6.737 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.459 2.185 7.154 1.00 0.00 H new ATOM 950 N LEU A 64 -1.866 -0.797 3.116 1.00 0.00 N ATOM 951 CA LEU A 64 -2.809 -1.506 2.257 1.00 0.00 C ATOM 952 C LEU A 64 -2.726 -3.012 2.483 1.00 0.00 C ATOM 953 O LEU A 64 -1.652 -3.605 2.387 1.00 0.00 O ATOM 954 CB LEU A 64 -2.531 -1.183 0.788 1.00 0.00 C ATOM 955 CG LEU A 64 -3.088 -2.175 -0.234 1.00 0.00 C ATOM 956 CD1 LEU A 64 -4.580 -1.959 -0.430 1.00 0.00 C ATOM 957 CD2 LEU A 64 -2.349 -2.048 -1.558 1.00 0.00 C ATOM 0 H LEU A 64 -0.907 -1.140 3.063 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.816 -1.175 2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.942 -0.197 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.452 -1.116 0.649 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.936 -3.185 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.958 -2.674 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.096 -2.103 0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.757 -0.945 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.759 -2.761 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.468 -1.036 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.290 -2.255 -1.405 1.00 0.00 H new ATOM 969 N GLN A 65 -3.867 -3.624 2.783 1.00 0.00 N ATOM 970 CA GLN A 65 -3.923 -5.061 3.021 1.00 0.00 C ATOM 971 C GLN A 65 -4.837 -5.745 2.010 1.00 0.00 C ATOM 972 O GLN A 65 -6.021 -5.423 1.911 1.00 0.00 O ATOM 973 CB GLN A 65 -4.412 -5.346 4.442 1.00 0.00 C ATOM 974 CG GLN A 65 -3.289 -5.453 5.461 1.00 0.00 C ATOM 975 CD GLN A 65 -3.792 -5.405 6.891 1.00 0.00 C ATOM 976 OE1 GLN A 65 -3.541 -6.316 7.680 1.00 0.00 O ATOM 977 NE2 GLN A 65 -4.506 -4.339 7.232 1.00 0.00 N ATOM 0 H GLN A 65 -4.765 -3.147 2.867 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.916 -5.462 2.904 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.095 -4.554 4.748 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.981 -6.275 4.442 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.747 -6.385 5.302 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.580 -4.640 5.302 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.690 -3.607 6.545 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.871 -4.252 8.181 1.00 0.00 H new ATOM 986 N ILE A 66 -4.280 -6.691 1.260 1.00 0.00 N ATOM 987 CA ILE A 66 -5.045 -7.420 0.257 1.00 0.00 C ATOM 988 C ILE A 66 -5.550 -8.749 0.811 1.00 0.00 C ATOM 989 O ILE A 66 -4.875 -9.773 0.706 1.00 0.00 O ATOM 990 CB ILE A 66 -4.206 -7.689 -1.006 1.00 0.00 C ATOM 991 CG1 ILE A 66 -3.590 -6.387 -1.522 1.00 0.00 C ATOM 992 CG2 ILE A 66 -5.063 -8.339 -2.082 1.00 0.00 C ATOM 993 CD1 ILE A 66 -2.341 -6.596 -2.349 1.00 0.00 C ATOM 0 H ILE A 66 -3.301 -6.970 1.329 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.895 -6.792 -0.009 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.398 -8.374 -0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.330 -5.858 -2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.351 -5.746 -0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.456 -8.523 -2.969 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.459 -9.284 -1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.889 -7.676 -2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.959 -5.631 -2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.585 -7.097 -1.745 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.578 -7.211 -3.217 1.00 0.00 H new ATOM 1005 N CYS A 67 -6.742 -8.724 1.397 1.00 0.00 N ATOM 1006 CA CYS A 67 -7.339 -9.927 1.966 1.00 0.00 C ATOM 1007 C CYS A 67 -7.636 -10.953 0.878 1.00 0.00 C ATOM 1008 O CYS A 67 -8.421 -10.697 -0.034 1.00 0.00 O ATOM 1009 CB CYS A 67 -8.623 -9.577 2.719 1.00 0.00 C ATOM 1010 SG CYS A 67 -9.031 -10.723 4.056 1.00 0.00 S ATOM 0 H CYS A 67 -7.314 -7.884 1.490 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.624 -10.362 2.665 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.527 -8.573 3.132 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.451 -9.552 2.011 1.00 0.00 H new ATOM 0 HG CYS A 67 -10.131 -10.342 4.634 1.00 0.00 H new ATOM 1016 N GLY A 68 -7.002 -12.117 0.980 1.00 0.00 N ATOM 1017 CA GLY A 68 -7.210 -13.164 -0.003 1.00 0.00 C ATOM 1018 C GLY A 68 -6.209 -13.101 -1.139 1.00 0.00 C ATOM 1019 O GLY A 68 -6.567 -12.787 -2.275 1.00 0.00 O ATOM 0 H GLY A 68 -6.348 -12.354 1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.139 -14.136 0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.219 -13.083 -0.407 1.00 0.00 H new ATOM 1023 N LEU A 69 -4.951 -13.396 -0.834 1.00 0.00 N ATOM 1024 CA LEU A 69 -3.893 -13.369 -1.838 1.00 0.00 C ATOM 1025 C LEU A 69 -4.032 -14.540 -2.807 1.00 0.00 C ATOM 1026 O LEU A 69 -4.637 -15.560 -2.479 1.00 0.00 O ATOM 1027 CB LEU A 69 -2.521 -13.411 -1.164 1.00 0.00 C ATOM 1028 CG LEU A 69 -2.015 -12.087 -0.590 1.00 0.00 C ATOM 1029 CD1 LEU A 69 -0.801 -12.319 0.296 1.00 0.00 C ATOM 1030 CD2 LEU A 69 -1.682 -11.112 -1.710 1.00 0.00 C ATOM 0 H LEU A 69 -4.638 -13.657 0.101 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.985 -12.441 -2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.557 -14.144 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.792 -13.771 -1.890 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.806 -11.651 0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.455 -11.366 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.072 -12.980 1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.005 -12.777 -0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.324 -10.176 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.908 -11.540 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.576 -10.921 -2.304 1.00 0.00 H new ATOM 1042 N ALA A 70 -3.466 -14.385 -3.999 1.00 0.00 N ATOM 1043 CA ALA A 70 -3.523 -15.431 -5.013 1.00 0.00 C ATOM 1044 C ALA A 70 -2.569 -15.131 -6.164 1.00 0.00 C ATOM 1045 O ALA A 70 -2.219 -13.977 -6.409 1.00 0.00 O ATOM 1046 CB ALA A 70 -4.945 -15.586 -5.531 1.00 0.00 C ATOM 0 H ALA A 70 -2.963 -13.546 -4.286 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.212 -16.368 -4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.973 -16.370 -6.287 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.606 -15.853 -4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.277 -14.645 -5.971 1.00 0.00 H new ATOM 1052 N MET A 71 -2.151 -16.179 -6.868 1.00 0.00 N ATOM 1053 CA MET A 71 -1.236 -16.027 -7.993 1.00 0.00 C ATOM 1054 C MET A 71 -1.555 -14.763 -8.786 1.00 0.00 C ATOM 1055 O MET A 71 -0.652 -14.048 -9.219 1.00 0.00 O ATOM 1056 CB MET A 71 -1.314 -17.250 -8.909 1.00 0.00 C ATOM 1057 CG MET A 71 -0.956 -18.554 -8.214 1.00 0.00 C ATOM 1058 SD MET A 71 0.803 -18.935 -8.316 1.00 0.00 S ATOM 1059 CE MET A 71 1.416 -18.098 -6.856 1.00 0.00 C ATOM 0 H MET A 71 -2.431 -17.141 -6.679 1.00 0.00 H new ATOM 0 HA MET A 71 -0.224 -15.941 -7.598 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.324 -17.328 -9.312 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.643 -17.103 -9.756 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.251 -18.496 -7.166 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.527 -19.368 -8.661 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.246 -18.665 -6.433 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.759 -17.099 -7.126 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.617 -18.020 -6.119 1.00 0.00 H new ATOM 1069 N ALA A 72 -2.843 -14.495 -8.971 1.00 0.00 N ATOM 1070 CA ALA A 72 -3.280 -13.316 -9.709 1.00 0.00 C ATOM 1071 C ALA A 72 -2.786 -12.037 -9.043 1.00 0.00 C ATOM 1072 O ALA A 72 -2.200 -11.172 -9.695 1.00 0.00 O ATOM 1073 CB ALA A 72 -4.796 -13.300 -9.829 1.00 0.00 C ATOM 0 H ALA A 72 -3.603 -15.078 -8.620 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.848 -13.363 -10.709 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.108 -12.414 -10.382 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.129 -14.194 -10.357 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.240 -13.281 -8.834 1.00 0.00 H new ATOM 1079 N ASP A 73 -3.027 -11.922 -7.741 1.00 0.00 N ATOM 1080 CA ASP A 73 -2.606 -10.748 -6.986 1.00 0.00 C ATOM 1081 C ASP A 73 -1.226 -10.278 -7.436 1.00 0.00 C ATOM 1082 O ASP A 73 -0.977 -9.079 -7.558 1.00 0.00 O ATOM 1083 CB ASP A 73 -2.590 -11.057 -5.489 1.00 0.00 C ATOM 1084 CG ASP A 73 -2.861 -9.829 -4.641 1.00 0.00 C ATOM 1085 OD1 ASP A 73 -3.948 -9.233 -4.791 1.00 0.00 O ATOM 1086 OD2 ASP A 73 -1.985 -9.464 -3.828 1.00 0.00 O ATOM 0 H ASP A 73 -3.512 -12.628 -7.187 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.322 -9.948 -7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.339 -11.818 -5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.621 -11.476 -5.218 1.00 0.00 H new ATOM 1091 N ALA A 74 -0.333 -11.231 -7.681 1.00 0.00 N ATOM 1092 CA ALA A 74 1.021 -10.916 -8.118 1.00 0.00 C ATOM 1093 C ALA A 74 1.005 -10.012 -9.346 1.00 0.00 C ATOM 1094 O ALA A 74 0.431 -10.359 -10.377 1.00 0.00 O ATOM 1095 CB ALA A 74 1.793 -12.194 -8.411 1.00 0.00 C ATOM 0 H ALA A 74 -0.523 -12.228 -7.584 1.00 0.00 H new ATOM 0 HA ALA A 74 1.521 -10.380 -7.311 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.803 -11.943 -8.736 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.844 -12.803 -7.509 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.287 -12.753 -9.198 1.00 0.00 H new ATOM 1101 N GLY A 75 1.639 -8.849 -9.228 1.00 0.00 N ATOM 1102 CA GLY A 75 1.684 -7.913 -10.336 1.00 0.00 C ATOM 1103 C GLY A 75 2.429 -6.639 -9.988 1.00 0.00 C ATOM 1104 O GLY A 75 3.495 -6.683 -9.377 1.00 0.00 O ATOM 0 H GLY A 75 2.122 -8.539 -8.385 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.164 -8.389 -11.191 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.667 -7.664 -10.639 1.00 0.00 H new ATOM 1108 N GLU A 76 1.866 -5.500 -10.381 1.00 0.00 N ATOM 1109 CA GLU A 76 2.485 -4.209 -10.109 1.00 0.00 C ATOM 1110 C GLU A 76 1.470 -3.231 -9.524 1.00 0.00 C ATOM 1111 O GLU A 76 0.628 -2.691 -10.240 1.00 0.00 O ATOM 1112 CB GLU A 76 3.089 -3.628 -11.390 1.00 0.00 C ATOM 1113 CG GLU A 76 3.611 -2.210 -11.228 1.00 0.00 C ATOM 1114 CD GLU A 76 4.041 -1.593 -12.545 1.00 0.00 C ATOM 1115 OE1 GLU A 76 4.873 -2.206 -13.244 1.00 0.00 O ATOM 1116 OE2 GLU A 76 3.543 -0.496 -12.875 1.00 0.00 O ATOM 0 H GLU A 76 0.983 -5.446 -10.888 1.00 0.00 H new ATOM 0 HA GLU A 76 3.279 -4.363 -9.378 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.905 -4.271 -11.721 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.334 -3.641 -12.176 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.836 -1.591 -10.777 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.456 -2.214 -10.540 1.00 0.00 H new ATOM 1123 N TYR A 77 1.558 -3.009 -8.217 1.00 0.00 N ATOM 1124 CA TYR A 77 0.646 -2.099 -7.534 1.00 0.00 C ATOM 1125 C TYR A 77 1.165 -0.665 -7.588 1.00 0.00 C ATOM 1126 O TYR A 77 2.368 -0.423 -7.486 1.00 0.00 O ATOM 1127 CB TYR A 77 0.458 -2.530 -6.078 1.00 0.00 C ATOM 1128 CG TYR A 77 -0.300 -3.829 -5.924 1.00 0.00 C ATOM 1129 CD1 TYR A 77 0.276 -5.040 -6.289 1.00 0.00 C ATOM 1130 CD2 TYR A 77 -1.593 -3.846 -5.416 1.00 0.00 C ATOM 1131 CE1 TYR A 77 -0.413 -6.229 -6.151 1.00 0.00 C ATOM 1132 CE2 TYR A 77 -2.289 -5.030 -5.273 1.00 0.00 C ATOM 1133 CZ TYR A 77 -1.695 -6.219 -5.642 1.00 0.00 C ATOM 1134 OH TYR A 77 -2.386 -7.401 -5.503 1.00 0.00 O ATOM 0 H TYR A 77 2.251 -3.446 -7.610 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.316 -2.138 -8.045 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.437 -2.632 -5.609 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.072 -1.744 -5.541 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.280 -5.051 -6.687 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.062 -2.917 -5.128 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.049 -7.161 -6.440 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.293 -5.025 -4.874 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.105 -8.028 -6.201 1.00 0.00 H new ATOM 1144 N LEU A 78 0.248 0.283 -7.749 1.00 0.00 N ATOM 1145 CA LEU A 78 0.611 1.694 -7.817 1.00 0.00 C ATOM 1146 C LEU A 78 -0.184 2.510 -6.802 1.00 0.00 C ATOM 1147 O LEU A 78 -1.342 2.204 -6.516 1.00 0.00 O ATOM 1148 CB LEU A 78 0.368 2.236 -9.227 1.00 0.00 C ATOM 1149 CG LEU A 78 1.270 1.675 -10.326 1.00 0.00 C ATOM 1150 CD1 LEU A 78 0.652 0.427 -10.938 1.00 0.00 C ATOM 1151 CD2 LEU A 78 1.524 2.726 -11.397 1.00 0.00 C ATOM 0 H LEU A 78 -0.752 0.100 -7.835 1.00 0.00 H new ATOM 0 HA LEU A 78 1.671 1.783 -7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.669 2.036 -9.498 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.488 3.319 -9.204 1.00 0.00 H new ATOM 0 HG LEU A 78 2.226 1.402 -9.880 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.308 0.041 -11.719 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.522 -0.331 -10.166 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.318 0.675 -11.369 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.168 2.309 -12.171 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.576 3.031 -11.840 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.010 3.592 -10.949 1.00 0.00 H new ATOM 1163 N CYS A 79 0.445 3.549 -6.264 1.00 0.00 N ATOM 1164 CA CYS A 79 -0.204 4.410 -5.281 1.00 0.00 C ATOM 1165 C CYS A 79 -0.156 5.869 -5.722 1.00 0.00 C ATOM 1166 O CYS A 79 0.891 6.514 -5.659 1.00 0.00 O ATOM 1167 CB CYS A 79 0.465 4.255 -3.915 1.00 0.00 C ATOM 1168 SG CYS A 79 -0.393 5.107 -2.571 1.00 0.00 S ATOM 0 H CYS A 79 1.403 3.816 -6.491 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.248 4.107 -5.202 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.532 3.194 -3.674 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.485 4.633 -3.977 1.00 0.00 H new ATOM 0 HG CYS A 79 0.354 5.102 -1.507 1.00 0.00 H new ATOM 1174 N VAL A 80 -1.297 6.384 -6.170 1.00 0.00 N ATOM 1175 CA VAL A 80 -1.386 7.768 -6.622 1.00 0.00 C ATOM 1176 C VAL A 80 -1.774 8.696 -5.477 1.00 0.00 C ATOM 1177 O VAL A 80 -2.763 8.461 -4.781 1.00 0.00 O ATOM 1178 CB VAL A 80 -2.410 7.921 -7.762 1.00 0.00 C ATOM 1179 CG1 VAL A 80 -2.356 9.325 -8.344 1.00 0.00 C ATOM 1180 CG2 VAL A 80 -2.165 6.878 -8.842 1.00 0.00 C ATOM 0 H VAL A 80 -2.172 5.864 -6.230 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.398 8.045 -6.991 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.408 7.761 -7.354 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.087 9.414 -9.148 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.585 10.051 -7.564 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.358 9.518 -8.738 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.898 7.001 -9.640 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.162 7.004 -9.249 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.260 5.881 -8.413 1.00 0.00 H new ATOM 1190 N CYS A 81 -0.990 9.751 -5.287 1.00 0.00 N ATOM 1191 CA CYS A 81 -1.251 10.717 -4.225 1.00 0.00 C ATOM 1192 C CYS A 81 -1.111 12.145 -4.742 1.00 0.00 C ATOM 1193 O CYS A 81 -0.054 12.761 -4.616 1.00 0.00 O ATOM 1194 CB CYS A 81 -0.294 10.490 -3.054 1.00 0.00 C ATOM 1195 SG CYS A 81 -0.734 11.398 -1.554 1.00 0.00 S ATOM 0 H CYS A 81 -0.168 9.960 -5.854 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.275 10.573 -3.881 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -0.263 9.425 -2.825 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.712 10.779 -3.359 1.00 0.00 H new ATOM 0 HG CYS A 81 0.344 11.677 -0.883 1.00 0.00 H new ATOM 1201 N GLY A 82 -2.186 12.665 -5.327 1.00 0.00 N ATOM 1202 CA GLY A 82 -2.162 14.016 -5.857 1.00 0.00 C ATOM 1203 C GLY A 82 -1.660 14.070 -7.286 1.00 0.00 C ATOM 1204 O GLY A 82 -2.421 13.840 -8.226 1.00 0.00 O ATOM 0 H GLY A 82 -3.073 12.175 -5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.166 14.438 -5.812 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.526 14.638 -5.228 1.00 0.00 H new ATOM 1208 N GLN A 83 -0.377 14.375 -7.450 1.00 0.00 N ATOM 1209 CA GLN A 83 0.224 14.461 -8.776 1.00 0.00 C ATOM 1210 C GLN A 83 1.334 13.428 -8.937 1.00 0.00 C ATOM 1211 O GLN A 83 1.699 13.066 -10.055 1.00 0.00 O ATOM 1212 CB GLN A 83 0.778 15.866 -9.018 1.00 0.00 C ATOM 1213 CG GLN A 83 0.691 16.312 -10.468 1.00 0.00 C ATOM 1214 CD GLN A 83 -0.598 17.050 -10.775 1.00 0.00 C ATOM 1215 OE1 GLN A 83 -1.601 16.887 -10.079 1.00 0.00 O ATOM 1216 NE2 GLN A 83 -0.577 17.867 -11.821 1.00 0.00 N ATOM 0 H GLN A 83 0.266 14.567 -6.682 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.551 14.253 -9.514 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.233 16.575 -8.395 1.00 0.00 H new ATOM 0 HB3 GLN A 83 1.820 15.897 -8.699 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.539 16.958 -10.697 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.770 15.440 -11.118 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.277 17.971 -12.370 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -1.414 18.391 -12.076 1.00 0.00 H new ATOM 1225 N GLU A 84 1.867 12.958 -7.814 1.00 0.00 N ATOM 1226 CA GLU A 84 2.938 11.968 -7.832 1.00 0.00 C ATOM 1227 C GLU A 84 2.395 10.575 -7.527 1.00 0.00 C ATOM 1228 O GLU A 84 1.446 10.422 -6.758 1.00 0.00 O ATOM 1229 CB GLU A 84 4.023 12.338 -6.820 1.00 0.00 C ATOM 1230 CG GLU A 84 4.746 13.634 -7.148 1.00 0.00 C ATOM 1231 CD GLU A 84 5.250 13.674 -8.578 1.00 0.00 C ATOM 1232 OE1 GLU A 84 4.482 14.096 -9.467 1.00 0.00 O ATOM 1233 OE2 GLU A 84 6.414 13.284 -8.807 1.00 0.00 O ATOM 0 H GLU A 84 1.575 13.247 -6.880 1.00 0.00 H new ATOM 0 HA GLU A 84 3.373 11.959 -8.831 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.572 12.424 -5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.751 11.529 -6.769 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.072 14.474 -6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.587 13.759 -6.466 1.00 0.00 H new ATOM 1240 N ARG A 85 3.005 9.562 -8.134 1.00 0.00 N ATOM 1241 CA ARG A 85 2.582 8.182 -7.929 1.00 0.00 C ATOM 1242 C ARG A 85 3.775 7.233 -7.998 1.00 0.00 C ATOM 1243 O ARG A 85 4.682 7.415 -8.811 1.00 0.00 O ATOM 1244 CB ARG A 85 1.539 7.785 -8.975 1.00 0.00 C ATOM 1245 CG ARG A 85 2.105 7.649 -10.379 1.00 0.00 C ATOM 1246 CD ARG A 85 1.088 7.044 -11.334 1.00 0.00 C ATOM 1247 NE ARG A 85 1.389 7.361 -12.727 1.00 0.00 N ATOM 1248 CZ ARG A 85 0.608 7.015 -13.744 1.00 0.00 C ATOM 1249 NH1 ARG A 85 -0.515 6.345 -13.525 1.00 0.00 N ATOM 1250 NH2 ARG A 85 0.949 7.340 -14.985 1.00 0.00 N ATOM 0 H ARG A 85 3.794 9.671 -8.772 1.00 0.00 H new ATOM 0 HA ARG A 85 2.137 8.108 -6.937 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.085 6.838 -8.682 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.744 8.530 -8.984 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.412 8.629 -10.745 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.998 7.025 -10.353 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.068 5.962 -11.205 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.093 7.413 -11.085 1.00 0.00 H new ATOM 0 HE ARG A 85 2.246 7.876 -12.930 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.782 6.094 -12.573 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.112 6.081 -14.308 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.812 7.856 -15.158 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.348 7.074 -15.765 1.00 0.00 H new ATOM 1264 N THR A 86 3.768 6.218 -7.139 1.00 0.00 N ATOM 1265 CA THR A 86 4.849 5.241 -7.101 1.00 0.00 C ATOM 1266 C THR A 86 4.339 3.844 -7.434 1.00 0.00 C ATOM 1267 O THR A 86 3.205 3.492 -7.108 1.00 0.00 O ATOM 1268 CB THR A 86 5.531 5.211 -5.721 1.00 0.00 C ATOM 1269 OG1 THR A 86 6.523 4.180 -5.687 1.00 0.00 O ATOM 1270 CG2 THR A 86 4.510 4.976 -4.618 1.00 0.00 C ATOM 0 H THR A 86 3.025 6.051 -6.460 1.00 0.00 H new ATOM 0 HA THR A 86 5.578 5.547 -7.851 1.00 0.00 H new ATOM 0 HB THR A 86 6.007 6.177 -5.554 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.158 4.361 -4.962 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.015 4.959 -3.652 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.773 5.779 -4.628 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.010 4.022 -4.783 1.00 0.00 H new ATOM 1278 N SER A 87 5.183 3.050 -8.084 1.00 0.00 N ATOM 1279 CA SER A 87 4.816 1.690 -8.464 1.00 0.00 C ATOM 1280 C SER A 87 5.750 0.674 -7.814 1.00 0.00 C ATOM 1281 O SER A 87 6.906 0.977 -7.519 1.00 0.00 O ATOM 1282 CB SER A 87 4.854 1.535 -9.985 1.00 0.00 C ATOM 1283 OG SER A 87 6.178 1.652 -10.477 1.00 0.00 O ATOM 0 H SER A 87 6.126 3.324 -8.359 1.00 0.00 H new ATOM 0 HA SER A 87 3.802 1.502 -8.112 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.443 0.565 -10.265 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.223 2.294 -10.447 1.00 0.00 H new ATOM 0 HG SER A 87 6.175 1.547 -11.451 1.00 0.00 H new ATOM 1289 N ALA A 88 5.240 -0.534 -7.595 1.00 0.00 N ATOM 1290 CA ALA A 88 6.028 -1.596 -6.983 1.00 0.00 C ATOM 1291 C ALA A 88 5.668 -2.956 -7.572 1.00 0.00 C ATOM 1292 O ALA A 88 4.745 -3.070 -8.379 1.00 0.00 O ATOM 1293 CB ALA A 88 5.825 -1.601 -5.475 1.00 0.00 C ATOM 0 H ALA A 88 4.285 -0.801 -7.833 1.00 0.00 H new ATOM 0 HA ALA A 88 7.079 -1.404 -7.197 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.419 -2.399 -5.031 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.139 -0.642 -5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.771 -1.765 -5.250 1.00 0.00 H new ATOM 1299 N THR A 89 6.402 -3.986 -7.164 1.00 0.00 N ATOM 1300 CA THR A 89 6.161 -5.338 -7.652 1.00 0.00 C ATOM 1301 C THR A 89 5.924 -6.305 -6.498 1.00 0.00 C ATOM 1302 O THR A 89 6.733 -6.395 -5.573 1.00 0.00 O ATOM 1303 CB THR A 89 7.342 -5.848 -8.500 1.00 0.00 C ATOM 1304 OG1 THR A 89 7.679 -4.881 -9.502 1.00 0.00 O ATOM 1305 CG2 THR A 89 7.000 -7.174 -9.162 1.00 0.00 C ATOM 0 H THR A 89 7.169 -3.910 -6.496 1.00 0.00 H new ATOM 0 HA THR A 89 5.268 -5.294 -8.275 1.00 0.00 H new ATOM 0 HB THR A 89 8.196 -6.000 -7.840 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.432 -5.212 -10.036 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.849 -7.514 -9.755 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.772 -7.915 -8.396 1.00 0.00 H new ATOM 0 HG23 THR A 89 6.133 -7.044 -9.810 1.00 0.00 H new ATOM 1313 N LEU A 90 4.812 -7.029 -6.558 1.00 0.00 N ATOM 1314 CA LEU A 90 4.468 -7.992 -5.517 1.00 0.00 C ATOM 1315 C LEU A 90 4.615 -9.421 -6.029 1.00 0.00 C ATOM 1316 O LEU A 90 4.406 -9.694 -7.211 1.00 0.00 O ATOM 1317 CB LEU A 90 3.038 -7.756 -5.030 1.00 0.00 C ATOM 1318 CG LEU A 90 2.500 -8.766 -4.015 1.00 0.00 C ATOM 1319 CD1 LEU A 90 3.081 -8.499 -2.636 1.00 0.00 C ATOM 1320 CD2 LEU A 90 0.979 -8.722 -3.973 1.00 0.00 C ATOM 0 H LEU A 90 4.133 -6.968 -7.316 1.00 0.00 H new ATOM 0 HA LEU A 90 5.156 -7.852 -4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.986 -6.762 -4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.376 -7.753 -5.896 1.00 0.00 H new ATOM 0 HG LEU A 90 2.806 -9.764 -4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.687 -9.228 -1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.167 -8.583 -2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.807 -7.494 -2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.614 -9.447 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.652 -7.723 -3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.581 -8.964 -4.958 1.00 0.00 H new ATOM 1332 N THR A 91 4.973 -10.332 -5.129 1.00 0.00 N ATOM 1333 CA THR A 91 5.146 -11.734 -5.488 1.00 0.00 C ATOM 1334 C THR A 91 4.237 -12.631 -4.656 1.00 0.00 C ATOM 1335 O THR A 91 4.007 -12.372 -3.475 1.00 0.00 O ATOM 1336 CB THR A 91 6.607 -12.186 -5.299 1.00 0.00 C ATOM 1337 OG1 THR A 91 7.465 -11.451 -6.179 1.00 0.00 O ATOM 1338 CG2 THR A 91 6.752 -13.676 -5.569 1.00 0.00 C ATOM 0 H THR A 91 5.149 -10.124 -4.146 1.00 0.00 H new ATOM 0 HA THR A 91 4.878 -11.826 -6.540 1.00 0.00 H new ATOM 0 HB THR A 91 6.894 -11.991 -4.266 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.392 -11.743 -6.052 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.792 -13.972 -5.429 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.120 -14.234 -4.878 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.448 -13.891 -6.593 1.00 0.00 H new ATOM 1346 N ILE A 92 3.725 -13.687 -5.279 1.00 0.00 N ATOM 1347 CA ILE A 92 2.842 -14.623 -4.595 1.00 0.00 C ATOM 1348 C ILE A 92 3.457 -16.017 -4.538 1.00 0.00 C ATOM 1349 O ILE A 92 4.030 -16.494 -5.518 1.00 0.00 O ATOM 1350 CB ILE A 92 1.467 -14.708 -5.284 1.00 0.00 C ATOM 1351 CG1 ILE A 92 0.849 -13.314 -5.410 1.00 0.00 C ATOM 1352 CG2 ILE A 92 0.543 -15.636 -4.510 1.00 0.00 C ATOM 1353 CD1 ILE A 92 0.667 -12.612 -4.083 1.00 0.00 C ATOM 0 H ILE A 92 3.907 -13.916 -6.256 1.00 0.00 H new ATOM 0 HA ILE A 92 2.708 -14.246 -3.581 1.00 0.00 H new ATOM 0 HB ILE A 92 1.603 -15.116 -6.285 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.482 -12.701 -6.052 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.119 -13.398 -5.903 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.425 -15.686 -5.009 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.981 -16.633 -4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.410 -15.255 -3.497 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.224 -11.630 -4.249 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.010 -13.203 -3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.636 -12.496 -3.597 1.00 0.00 H new ATOM 1365 N ARG A 93 3.332 -16.667 -3.386 1.00 0.00 N ATOM 1366 CA ARG A 93 3.875 -18.007 -3.202 1.00 0.00 C ATOM 1367 C ARG A 93 2.756 -19.043 -3.137 1.00 0.00 C ATOM 1368 O ARG A 93 1.968 -19.062 -2.192 1.00 0.00 O ATOM 1369 CB ARG A 93 4.716 -18.069 -1.925 1.00 0.00 C ATOM 1370 CG ARG A 93 6.170 -17.678 -2.134 1.00 0.00 C ATOM 1371 CD ARG A 93 6.995 -18.850 -2.640 1.00 0.00 C ATOM 1372 NE ARG A 93 7.519 -19.663 -1.546 1.00 0.00 N ATOM 1373 CZ ARG A 93 8.128 -20.831 -1.724 1.00 0.00 C ATOM 1374 NH1 ARG A 93 8.287 -21.319 -2.946 1.00 0.00 N ATOM 1375 NH2 ARG A 93 8.578 -21.512 -0.678 1.00 0.00 N ATOM 0 H ARG A 93 2.859 -16.287 -2.566 1.00 0.00 H new ATOM 0 HA ARG A 93 4.509 -18.235 -4.058 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.275 -17.410 -1.177 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.675 -19.081 -1.522 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.228 -16.856 -2.848 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.589 -17.315 -1.195 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.381 -19.471 -3.291 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.823 -18.477 -3.243 1.00 0.00 H new ATOM 0 HE ARG A 93 7.412 -19.316 -0.593 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.942 -20.798 -3.752 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.755 -22.215 -3.080 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.457 -21.139 0.264 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.045 -22.408 -0.816 1.00 0.00 H new ATOM 1389 N ALA A 94 2.693 -19.902 -4.149 1.00 0.00 N ATOM 1390 CA ALA A 94 1.673 -20.941 -4.207 1.00 0.00 C ATOM 1391 C ALA A 94 1.734 -21.840 -2.977 1.00 0.00 C ATOM 1392 O ALA A 94 2.766 -22.448 -2.690 1.00 0.00 O ATOM 1393 CB ALA A 94 1.832 -21.767 -5.475 1.00 0.00 C ATOM 0 H ALA A 94 3.337 -19.899 -4.940 1.00 0.00 H new ATOM 0 HA ALA A 94 0.697 -20.456 -4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.063 -22.539 -5.505 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.730 -21.120 -6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.817 -22.235 -5.484 1.00 0.00 H new ATOM 1399 N LEU A 95 0.623 -21.920 -2.252 1.00 0.00 N ATOM 1400 CA LEU A 95 0.551 -22.745 -1.051 1.00 0.00 C ATOM 1401 C LEU A 95 0.949 -24.186 -1.355 1.00 0.00 C ATOM 1402 O LEU A 95 0.837 -24.661 -2.485 1.00 0.00 O ATOM 1403 CB LEU A 95 -0.862 -22.707 -0.467 1.00 0.00 C ATOM 1404 CG LEU A 95 -1.169 -21.540 0.473 1.00 0.00 C ATOM 1405 CD1 LEU A 95 -2.670 -21.372 0.644 1.00 0.00 C ATOM 1406 CD2 LEU A 95 -0.497 -21.753 1.822 1.00 0.00 C ATOM 0 H LEU A 95 -0.240 -21.424 -2.475 1.00 0.00 H new ATOM 0 HA LEU A 95 1.251 -22.341 -0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.574 -22.680 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.035 -23.638 0.073 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.771 -20.627 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.868 -20.537 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.127 -21.174 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.093 -22.285 1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.726 -20.914 2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -0.866 -22.676 2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.582 -21.822 1.684 1.00 0.00 H new ATOM 1418 N PRO A 96 1.424 -24.899 -0.323 1.00 0.00 N ATOM 1419 CA PRO A 96 1.846 -26.297 -0.454 1.00 0.00 C ATOM 1420 C PRO A 96 0.669 -27.237 -0.690 1.00 0.00 C ATOM 1421 O PRO A 96 -0.157 -27.448 0.198 1.00 0.00 O ATOM 1422 CB PRO A 96 2.507 -26.595 0.893 1.00 0.00 C ATOM 1423 CG PRO A 96 1.877 -25.639 1.845 1.00 0.00 C ATOM 1424 CD PRO A 96 1.585 -24.396 1.051 1.00 0.00 C ATOM 0 HA PRO A 96 2.505 -26.446 -1.309 1.00 0.00 H new ATOM 0 HB2 PRO A 96 2.336 -27.627 1.198 1.00 0.00 H new ATOM 0 HB3 PRO A 96 3.586 -26.452 0.844 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.963 -26.055 2.268 1.00 0.00 H new ATOM 0 HG3 PRO A 96 2.544 -25.422 2.679 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.683 -23.896 1.404 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.398 -23.674 1.122 1.00 0.00 H new ATOM 1432 N SER A 97 0.600 -27.801 -1.892 1.00 0.00 N ATOM 1433 CA SER A 97 -0.478 -28.718 -2.245 1.00 0.00 C ATOM 1434 C SER A 97 0.004 -29.764 -3.245 1.00 0.00 C ATOM 1435 O SER A 97 0.195 -29.471 -4.424 1.00 0.00 O ATOM 1436 CB SER A 97 -1.662 -27.945 -2.830 1.00 0.00 C ATOM 1437 OG SER A 97 -2.495 -27.434 -1.803 1.00 0.00 O ATOM 0 H SER A 97 1.277 -27.639 -2.637 1.00 0.00 H new ATOM 0 HA SER A 97 -0.799 -29.229 -1.337 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.296 -27.125 -3.447 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.242 -28.599 -3.481 1.00 0.00 H new ATOM 0 HG SER A 97 -1.981 -27.360 -0.972 1.00 0.00 H new ATOM 1443 N GLY A 98 0.200 -30.988 -2.763 1.00 0.00 N ATOM 1444 CA GLY A 98 0.658 -32.061 -3.627 1.00 0.00 C ATOM 1445 C GLY A 98 1.793 -32.855 -3.012 1.00 0.00 C ATOM 1446 O GLY A 98 1.588 -33.920 -2.429 1.00 0.00 O ATOM 0 H GLY A 98 0.050 -31.255 -1.790 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.175 -32.730 -3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.985 -31.643 -4.579 1.00 0.00 H new ATOM 1450 N PRO A 99 3.023 -32.335 -3.140 1.00 0.00 N ATOM 1451 CA PRO A 99 4.219 -32.988 -2.599 1.00 0.00 C ATOM 1452 C PRO A 99 4.258 -32.956 -1.075 1.00 0.00 C ATOM 1453 O PRO A 99 5.216 -33.422 -0.460 1.00 0.00 O ATOM 1454 CB PRO A 99 5.368 -32.161 -3.181 1.00 0.00 C ATOM 1455 CG PRO A 99 4.774 -30.820 -3.445 1.00 0.00 C ATOM 1456 CD PRO A 99 3.340 -31.070 -3.822 1.00 0.00 C ATOM 0 HA PRO A 99 4.260 -34.045 -2.862 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.201 -32.094 -2.482 1.00 0.00 H new ATOM 0 HB3 PRO A 99 5.755 -32.610 -4.096 1.00 0.00 H new ATOM 0 HG2 PRO A 99 4.840 -30.183 -2.563 1.00 0.00 H new ATOM 0 HG3 PRO A 99 5.305 -30.309 -4.248 1.00 0.00 H new ATOM 0 HD2 PRO A 99 2.690 -30.261 -3.489 1.00 0.00 H new ATOM 0 HD3 PRO A 99 3.217 -31.154 -4.902 1.00 0.00 H new ATOM 1464 N SER A 100 3.210 -32.404 -0.473 1.00 0.00 N ATOM 1465 CA SER A 100 3.126 -32.308 0.980 1.00 0.00 C ATOM 1466 C SER A 100 3.776 -33.519 1.643 1.00 0.00 C ATOM 1467 O SER A 100 4.583 -33.379 2.561 1.00 0.00 O ATOM 1468 CB SER A 100 1.666 -32.194 1.422 1.00 0.00 C ATOM 1469 OG SER A 100 1.105 -30.958 1.014 1.00 0.00 O ATOM 0 H SER A 100 2.407 -32.016 -0.968 1.00 0.00 H new ATOM 0 HA SER A 100 3.663 -31.412 1.291 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.089 -33.016 0.999 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.603 -32.285 2.506 1.00 0.00 H new ATOM 0 HG SER A 100 0.171 -30.910 1.307 1.00 0.00 H new ATOM 1475 N SER A 101 3.418 -34.708 1.169 1.00 0.00 N ATOM 1476 CA SER A 101 3.963 -35.945 1.717 1.00 0.00 C ATOM 1477 C SER A 101 4.873 -36.633 0.704 1.00 0.00 C ATOM 1478 O SER A 101 4.784 -36.384 -0.497 1.00 0.00 O ATOM 1479 CB SER A 101 2.830 -36.889 2.125 1.00 0.00 C ATOM 1480 OG SER A 101 2.015 -37.218 1.014 1.00 0.00 O ATOM 0 H SER A 101 2.753 -34.841 0.407 1.00 0.00 H new ATOM 0 HA SER A 101 4.553 -35.694 2.598 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.248 -37.799 2.555 1.00 0.00 H new ATOM 0 HB3 SER A 101 2.223 -36.420 2.899 1.00 0.00 H new ATOM 0 HG SER A 101 1.300 -37.823 1.301 1.00 0.00 H new ATOM 1486 N GLY A 102 5.750 -37.500 1.200 1.00 0.00 N ATOM 1487 CA GLY A 102 6.665 -38.212 0.327 1.00 0.00 C ATOM 1488 C GLY A 102 7.792 -38.881 1.089 1.00 0.00 C ATOM 1489 O GLY A 102 8.350 -39.879 0.634 1.00 0.00 O ATOM 0 H GLY A 102 5.843 -37.722 2.191 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.113 -38.965 -0.235 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.085 -37.516 -0.399 1.00 0.00 H new TER 1493 GLY A 102