USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0211 USER MOD Single : A 24 TYR OH : rot 49:sc= 0.983 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0812 F(o=-1.5,f=-0.081) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc=-0.00249 (180deg=-0.0711) USER MOD Single : A 29 TYR OH : rot -103:sc= 1.04 USER MOD Single : A 31 SER OG : rot -33:sc= 0.034 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 165:sc= -0.302 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -138:sc= -0.215 (180deg=-2.86!) USER MOD Single : A 46 HIS : no HE2:sc= 0.934 K(o=0.93,f=-5.3!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= 0.504 K(o=0.5,f=-5.6!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -140:sc= -1.62! USER MOD Single : A 63 ASN : amide:sc= -0.464 K(o=-0.46,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 7 2.204 -2.903 -12.029 1.00 0.00 N ATOM 2 CA ASN A 7 2.242 -1.432 -12.087 1.00 0.00 C ATOM 3 C ASN A 7 0.810 -0.924 -12.194 1.00 0.00 C ATOM 4 O ASN A 7 0.544 0.272 -12.316 1.00 0.00 O ATOM 5 CB ASN A 7 3.070 -1.002 -13.325 1.00 0.00 C ATOM 6 CG ASN A 7 3.449 0.477 -13.409 1.00 0.00 C ATOM 7 OD1 ASN A 7 4.484 0.889 -12.864 1.00 0.00 O ATOM 8 ND2 ASN A 7 2.695 1.252 -14.151 1.00 0.00 N ATOM 0 HA ASN A 7 2.707 -1.014 -11.194 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.987 -1.591 -13.344 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.505 -1.261 -14.221 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.953 2.228 -14.295 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.850 0.879 -14.584 1.00 0.00 H new ATOM 15 N ARG A 8 -0.112 -1.857 -12.157 1.00 0.00 N ATOM 16 CA ARG A 8 -1.524 -1.578 -12.292 1.00 0.00 C ATOM 17 C ARG A 8 -2.102 -1.189 -10.919 1.00 0.00 C ATOM 18 O ARG A 8 -1.443 -1.393 -9.908 1.00 0.00 O ATOM 19 CB ARG A 8 -2.225 -2.798 -12.894 1.00 0.00 C ATOM 20 CG ARG A 8 -1.647 -3.227 -14.232 1.00 0.00 C ATOM 21 CD ARG A 8 -2.394 -4.406 -14.811 1.00 0.00 C ATOM 22 NE ARG A 8 -3.764 -4.052 -15.184 1.00 0.00 N ATOM 23 CZ ARG A 8 -4.584 -4.814 -15.902 1.00 0.00 C ATOM 24 NH1 ARG A 8 -4.248 -6.061 -16.227 1.00 0.00 N ATOM 25 NH2 ARG A 8 -5.765 -4.336 -16.265 1.00 0.00 N ATOM 0 H ARG A 8 0.100 -2.847 -12.030 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.687 -0.737 -12.966 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.156 -3.630 -12.193 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.284 -2.574 -13.019 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.688 -2.391 -14.931 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.596 -3.488 -14.108 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.863 -4.778 -15.688 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.414 -5.217 -14.083 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.118 -3.149 -14.868 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.352 -6.443 -15.925 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.887 -6.634 -16.778 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.038 -3.391 -15.994 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.401 -4.913 -16.816 1.00 0.00 H new ATOM 39 N PRO A 9 -3.300 -0.574 -10.860 1.00 0.00 N ATOM 40 CA PRO A 9 -3.882 -0.081 -9.599 1.00 0.00 C ATOM 41 C PRO A 9 -4.270 -1.154 -8.566 1.00 0.00 C ATOM 42 O PRO A 9 -5.338 -1.802 -8.673 1.00 0.00 O ATOM 43 CB PRO A 9 -5.118 0.705 -10.049 1.00 0.00 C ATOM 44 CG PRO A 9 -5.469 0.141 -11.373 1.00 0.00 C ATOM 45 CD PRO A 9 -4.174 -0.267 -12.005 1.00 0.00 C ATOM 0 HA PRO A 9 -3.135 0.503 -9.061 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.939 0.590 -9.341 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.904 1.772 -10.118 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -6.138 -0.713 -11.268 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.987 0.878 -11.986 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.302 -1.134 -12.653 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.760 0.532 -12.620 1.00 0.00 H new ATOM 53 N GLY A 10 -3.383 -1.398 -7.625 1.00 0.00 N ATOM 54 CA GLY A 10 -3.725 -2.192 -6.503 1.00 0.00 C ATOM 55 C GLY A 10 -2.719 -3.259 -6.180 1.00 0.00 C ATOM 56 O GLY A 10 -1.932 -3.665 -7.038 1.00 0.00 O ATOM 0 H GLY A 10 -2.424 -1.050 -7.630 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.843 -1.544 -5.635 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.692 -2.662 -6.684 1.00 0.00 H new ATOM 60 N ILE A 11 -2.779 -3.728 -4.922 1.00 0.00 N ATOM 61 CA ILE A 11 -1.921 -4.798 -4.395 1.00 0.00 C ATOM 62 C ILE A 11 -1.917 -5.980 -5.354 1.00 0.00 C ATOM 63 O ILE A 11 -2.896 -6.711 -5.452 1.00 0.00 O ATOM 64 CB ILE A 11 -2.433 -5.318 -3.011 1.00 0.00 C ATOM 65 CG1 ILE A 11 -2.650 -4.162 -2.036 1.00 0.00 C ATOM 66 CG2 ILE A 11 -1.453 -6.331 -2.418 1.00 0.00 C ATOM 67 CD1 ILE A 11 -3.223 -4.574 -0.706 1.00 0.00 C ATOM 0 H ILE A 11 -3.438 -3.366 -4.232 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.921 -4.379 -4.280 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.390 -5.812 -3.175 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.697 -3.660 -1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.318 -3.434 -2.497 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.828 -6.680 -1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.350 -7.178 -3.096 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.481 -5.858 -2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.345 -3.694 -0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.192 -5.049 -0.859 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.547 -5.278 -0.221 1.00 0.00 H new ATOM 79 N THR A 12 -0.845 -6.111 -6.093 1.00 0.00 N ATOM 80 CA THR A 12 -0.680 -7.205 -7.020 1.00 0.00 C ATOM 81 C THR A 12 -0.068 -8.411 -6.269 1.00 0.00 C ATOM 82 O THR A 12 0.029 -9.519 -6.797 1.00 0.00 O ATOM 83 CB THR A 12 0.253 -6.749 -8.150 1.00 0.00 C ATOM 84 OG1 THR A 12 -0.087 -5.396 -8.513 1.00 0.00 O ATOM 85 CG2 THR A 12 0.103 -7.633 -9.374 1.00 0.00 C ATOM 0 H THR A 12 -0.059 -5.461 -6.070 1.00 0.00 H new ATOM 0 HA THR A 12 -1.640 -7.502 -7.442 1.00 0.00 H new ATOM 0 HB THR A 12 1.283 -6.813 -7.798 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.504 -5.092 -9.234 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.776 -7.286 -10.158 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.350 -8.662 -9.112 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.925 -7.587 -9.732 1.00 0.00 H new ATOM 93 N PHE A 13 0.305 -8.149 -4.996 1.00 0.00 N ATOM 94 CA PHE A 13 0.901 -9.127 -4.056 1.00 0.00 C ATOM 95 C PHE A 13 2.352 -9.441 -4.408 1.00 0.00 C ATOM 96 O PHE A 13 2.933 -10.421 -3.946 1.00 0.00 O ATOM 97 CB PHE A 13 0.044 -10.406 -3.913 1.00 0.00 C ATOM 98 CG PHE A 13 -1.338 -10.164 -3.348 1.00 0.00 C ATOM 99 CD1 PHE A 13 -1.559 -10.194 -1.986 1.00 0.00 C ATOM 100 CD2 PHE A 13 -2.415 -9.909 -4.187 1.00 0.00 C ATOM 101 CE1 PHE A 13 -2.824 -9.974 -1.468 1.00 0.00 C ATOM 102 CE2 PHE A 13 -3.677 -9.689 -3.675 1.00 0.00 C ATOM 103 CZ PHE A 13 -3.881 -9.719 -2.314 1.00 0.00 C ATOM 0 H PHE A 13 0.197 -7.223 -4.581 1.00 0.00 H new ATOM 0 HA PHE A 13 0.908 -8.653 -3.074 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.053 -10.877 -4.891 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.569 -11.112 -3.270 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.735 -10.391 -1.316 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.262 -9.883 -5.256 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.982 -10.002 -0.400 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.504 -9.493 -4.341 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.867 -9.543 -1.910 1.00 0.00 H new ATOM 113 N GLU A 14 2.947 -8.566 -5.177 1.00 0.00 N ATOM 114 CA GLU A 14 4.333 -8.692 -5.551 1.00 0.00 C ATOM 115 C GLU A 14 5.120 -7.539 -4.958 1.00 0.00 C ATOM 116 O GLU A 14 4.625 -6.404 -4.895 1.00 0.00 O ATOM 117 CB GLU A 14 4.478 -8.702 -7.072 1.00 0.00 C ATOM 118 CG GLU A 14 3.787 -9.871 -7.748 1.00 0.00 C ATOM 119 CD GLU A 14 3.947 -9.859 -9.243 1.00 0.00 C ATOM 120 OE1 GLU A 14 5.016 -10.285 -9.754 1.00 0.00 O ATOM 121 OE2 GLU A 14 3.014 -9.461 -9.942 1.00 0.00 O ATOM 0 H GLU A 14 2.483 -7.744 -5.563 1.00 0.00 H new ATOM 0 HA GLU A 14 4.723 -9.634 -5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.073 -7.773 -7.472 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.538 -8.723 -7.326 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.190 -10.803 -7.352 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.726 -9.852 -7.501 1.00 0.00 H new ATOM 128 N ILE A 15 6.310 -7.814 -4.508 1.00 0.00 N ATOM 129 CA ILE A 15 7.173 -6.792 -3.979 1.00 0.00 C ATOM 130 C ILE A 15 7.658 -5.932 -5.132 1.00 0.00 C ATOM 131 O ILE A 15 8.307 -6.424 -6.074 1.00 0.00 O ATOM 132 CB ILE A 15 8.355 -7.404 -3.177 1.00 0.00 C ATOM 133 CG1 ILE A 15 7.814 -8.082 -1.902 1.00 0.00 C ATOM 134 CG2 ILE A 15 9.401 -6.343 -2.830 1.00 0.00 C ATOM 135 CD1 ILE A 15 8.851 -8.848 -1.108 1.00 0.00 C ATOM 0 H ILE A 15 6.711 -8.752 -4.496 1.00 0.00 H new ATOM 0 HA ILE A 15 6.619 -6.172 -3.274 1.00 0.00 H new ATOM 0 HB ILE A 15 8.849 -8.152 -3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.374 -7.319 -1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.012 -8.765 -2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.214 -6.804 -2.269 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.795 -5.906 -3.748 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.940 -5.562 -2.225 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.382 -9.291 -0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.276 -9.637 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.643 -8.168 -0.793 1.00 0.00 H new ATOM 147 N GLY A 16 7.305 -4.676 -5.076 1.00 0.00 N ATOM 148 CA GLY A 16 7.593 -3.763 -6.136 1.00 0.00 C ATOM 149 C GLY A 16 6.332 -3.369 -6.872 1.00 0.00 C ATOM 150 O GLY A 16 6.372 -2.544 -7.782 1.00 0.00 O ATOM 0 H GLY A 16 6.808 -4.261 -4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.076 -2.873 -5.732 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.297 -4.219 -6.832 1.00 0.00 H new ATOM 154 N ALA A 17 5.205 -3.971 -6.486 1.00 0.00 N ATOM 155 CA ALA A 17 3.927 -3.664 -7.111 1.00 0.00 C ATOM 156 C ALA A 17 3.334 -2.389 -6.554 1.00 0.00 C ATOM 157 O ALA A 17 3.651 -1.985 -5.427 1.00 0.00 O ATOM 158 CB ALA A 17 2.950 -4.804 -6.911 1.00 0.00 C ATOM 0 H ALA A 17 5.156 -4.671 -5.746 1.00 0.00 H new ATOM 0 HA ALA A 17 4.109 -3.526 -8.177 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.000 -4.557 -7.385 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.354 -5.712 -7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.792 -4.965 -5.845 1.00 0.00 H new ATOM 164 N ARG A 18 2.482 -1.771 -7.330 1.00 0.00 N ATOM 165 CA ARG A 18 1.800 -0.571 -6.922 1.00 0.00 C ATOM 166 C ARG A 18 0.509 -0.901 -6.218 1.00 0.00 C ATOM 167 O ARG A 18 -0.487 -1.203 -6.857 1.00 0.00 O ATOM 168 CB ARG A 18 1.483 0.343 -8.101 1.00 0.00 C ATOM 169 CG ARG A 18 2.666 1.003 -8.748 1.00 0.00 C ATOM 170 CD ARG A 18 2.197 1.908 -9.864 1.00 0.00 C ATOM 171 NE ARG A 18 3.287 2.658 -10.466 1.00 0.00 N ATOM 172 CZ ARG A 18 3.181 3.441 -11.537 1.00 0.00 C ATOM 173 NH1 ARG A 18 1.998 3.597 -12.155 1.00 0.00 N ATOM 174 NH2 ARG A 18 4.257 4.058 -11.998 1.00 0.00 N ATOM 0 H ARG A 18 2.240 -2.088 -8.269 1.00 0.00 H new ATOM 0 HA ARG A 18 2.478 -0.051 -6.245 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.956 -0.239 -8.857 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.797 1.119 -7.761 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.222 1.579 -8.009 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.346 0.247 -9.141 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.705 1.309 -10.631 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.453 2.603 -9.476 1.00 0.00 H new ATOM 0 HE ARG A 18 4.207 2.578 -10.033 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.171 3.113 -11.804 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.927 4.199 -12.975 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.156 3.931 -11.533 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.187 4.660 -12.818 1.00 0.00 H new ATOM 188 N LEU A 19 0.513 -0.841 -4.917 1.00 0.00 N ATOM 189 CA LEU A 19 -0.705 -1.086 -4.187 1.00 0.00 C ATOM 190 C LEU A 19 -1.473 0.215 -4.067 1.00 0.00 C ATOM 191 O LEU A 19 -0.889 1.293 -4.238 1.00 0.00 O ATOM 192 CB LEU A 19 -0.488 -1.821 -2.819 1.00 0.00 C ATOM 193 CG LEU A 19 0.160 -1.116 -1.599 1.00 0.00 C ATOM 194 CD1 LEU A 19 1.494 -0.509 -1.901 1.00 0.00 C ATOM 195 CD2 LEU A 19 -0.776 -0.125 -0.943 1.00 0.00 C ATOM 0 H LEU A 19 1.330 -0.628 -4.344 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.310 -1.796 -4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.466 -2.175 -2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.116 -2.703 -3.029 1.00 0.00 H new ATOM 0 HG LEU A 19 0.350 -1.908 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.889 -0.033 -1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.182 -1.288 -2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.385 0.236 -2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.275 0.342 -0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.058 0.642 -1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.670 -0.643 -0.597 1.00 0.00 H new ATOM 207 N GLU A 20 -2.748 0.153 -3.811 1.00 0.00 N ATOM 208 CA GLU A 20 -3.523 1.364 -3.784 1.00 0.00 C ATOM 209 C GLU A 20 -3.714 1.806 -2.322 1.00 0.00 C ATOM 210 O GLU A 20 -4.214 1.029 -1.524 1.00 0.00 O ATOM 211 CB GLU A 20 -4.871 1.075 -4.417 1.00 0.00 C ATOM 212 CG GLU A 20 -5.535 2.266 -5.036 1.00 0.00 C ATOM 213 CD GLU A 20 -4.954 2.621 -6.386 1.00 0.00 C ATOM 214 OE1 GLU A 20 -3.819 3.093 -6.470 1.00 0.00 O ATOM 215 OE2 GLU A 20 -5.644 2.425 -7.390 1.00 0.00 O ATOM 0 H GLU A 20 -3.267 -0.704 -3.621 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.018 2.159 -4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.742 0.309 -5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.533 0.660 -3.657 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.601 2.067 -5.145 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.437 3.121 -4.367 1.00 0.00 H new ATOM 222 N ALA A 21 -3.282 3.005 -1.968 1.00 0.00 N ATOM 223 CA ALA A 21 -3.468 3.511 -0.597 1.00 0.00 C ATOM 224 C ALA A 21 -4.363 4.744 -0.599 1.00 0.00 C ATOM 225 O ALA A 21 -4.309 5.502 -1.542 1.00 0.00 O ATOM 226 CB ALA A 21 -2.128 3.838 0.029 1.00 0.00 C ATOM 0 H ALA A 21 -2.803 3.649 -2.597 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.951 2.733 -0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.281 4.211 1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.513 2.939 0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.625 4.600 -0.566 1.00 0.00 H new ATOM 232 N LEU A 22 -5.180 4.951 0.460 1.00 0.00 N ATOM 233 CA LEU A 22 -6.086 6.094 0.512 1.00 0.00 C ATOM 234 C LEU A 22 -5.564 7.013 1.525 1.00 0.00 C ATOM 235 O LEU A 22 -5.501 6.683 2.656 1.00 0.00 O ATOM 236 CB LEU A 22 -7.540 5.665 0.927 1.00 0.00 C ATOM 237 CG LEU A 22 -8.744 6.680 0.775 1.00 0.00 C ATOM 238 CD1 LEU A 22 -10.017 6.066 1.309 1.00 0.00 C ATOM 239 CD2 LEU A 22 -8.523 8.023 1.452 1.00 0.00 C ATOM 0 H LEU A 22 -5.222 4.341 1.276 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.142 6.553 -0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.792 4.776 0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.502 5.364 1.974 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.820 6.877 -0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.837 6.775 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.245 5.158 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.889 5.822 2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.397 8.656 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.369 7.871 2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.645 8.506 1.024 1.00 0.00 H new ATOM 251 N ASP A 23 -5.181 8.136 1.153 1.00 0.00 N ATOM 252 CA ASP A 23 -4.866 9.103 2.182 1.00 0.00 C ATOM 253 C ASP A 23 -5.526 10.345 1.925 1.00 0.00 C ATOM 254 O ASP A 23 -6.115 10.477 0.848 1.00 0.00 O ATOM 255 CB ASP A 23 -3.399 9.315 2.500 1.00 0.00 C ATOM 256 CG ASP A 23 -2.843 8.242 3.394 1.00 0.00 C ATOM 257 OD1 ASP A 23 -2.394 7.194 2.914 1.00 0.00 O ATOM 258 OD2 ASP A 23 -2.881 8.436 4.619 1.00 0.00 O ATOM 0 H ASP A 23 -5.066 8.445 0.188 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.252 8.648 3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.829 9.341 1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.271 10.285 2.980 1.00 0.00 H new ATOM 263 N TYR A 24 -5.398 11.258 2.921 1.00 0.00 N ATOM 264 CA TYR A 24 -5.978 12.628 3.077 1.00 0.00 C ATOM 265 C TYR A 24 -6.374 13.405 1.819 1.00 0.00 C ATOM 266 O TYR A 24 -7.170 14.325 1.893 1.00 0.00 O ATOM 267 CB TYR A 24 -5.071 13.484 3.976 1.00 0.00 C ATOM 268 CG TYR A 24 -3.595 13.486 3.619 1.00 0.00 C ATOM 269 CD1 TYR A 24 -2.758 12.487 4.076 1.00 0.00 C ATOM 270 CD2 TYR A 24 -3.041 14.494 2.848 1.00 0.00 C ATOM 271 CE1 TYR A 24 -1.420 12.479 3.778 1.00 0.00 C ATOM 272 CE2 TYR A 24 -1.693 14.493 2.540 1.00 0.00 C ATOM 273 CZ TYR A 24 -0.891 13.478 3.013 1.00 0.00 C ATOM 274 OH TYR A 24 0.448 13.467 2.719 1.00 0.00 O ATOM 0 H TYR A 24 -4.820 11.031 3.730 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.946 12.428 3.537 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.433 14.512 3.950 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.176 13.135 5.003 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.168 11.693 4.683 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.670 15.292 2.482 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -0.787 11.686 4.147 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.272 15.282 1.934 1.00 0.00 H new ATOM 0 HH TYR A 24 0.702 12.581 2.385 1.00 0.00 H new ATOM 284 N LEU A 25 -5.830 13.059 0.714 1.00 0.00 N ATOM 285 CA LEU A 25 -6.192 13.654 -0.555 1.00 0.00 C ATOM 286 C LEU A 25 -7.527 13.026 -0.993 1.00 0.00 C ATOM 287 O LEU A 25 -8.236 13.546 -1.860 1.00 0.00 O ATOM 288 CB LEU A 25 -5.136 13.306 -1.639 1.00 0.00 C ATOM 289 CG LEU A 25 -3.620 13.425 -1.340 1.00 0.00 C ATOM 290 CD1 LEU A 25 -3.284 14.776 -0.779 1.00 0.00 C ATOM 291 CD2 LEU A 25 -3.107 12.297 -0.430 1.00 0.00 C ATOM 0 H LEU A 25 -5.106 12.344 0.644 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.257 14.736 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.321 12.277 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.343 13.939 -2.502 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.102 13.315 -2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.214 14.831 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.559 15.547 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.835 14.932 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.040 12.429 -0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.639 12.326 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.278 11.334 -0.912 1.00 0.00 H new ATOM 303 N GLN A 26 -7.811 11.884 -0.362 1.00 0.00 N ATOM 304 CA GLN A 26 -8.905 10.997 -0.632 1.00 0.00 C ATOM 305 C GLN A 26 -8.607 10.279 -1.859 1.00 0.00 C ATOM 306 O GLN A 26 -9.472 9.889 -2.646 1.00 0.00 O ATOM 307 CB GLN A 26 -10.248 11.659 -0.586 1.00 0.00 C ATOM 308 CG GLN A 26 -10.847 11.635 0.804 1.00 0.00 C ATOM 309 CD GLN A 26 -9.943 12.197 1.894 1.00 0.00 C ATOM 310 OE1 GLN A 26 -9.183 11.331 2.553 1.00 0.00 O flip ATOM 311 NE2 GLN A 26 -9.954 13.396 2.168 1.00 0.00 N flip ATOM 0 H GLN A 26 -7.229 11.546 0.404 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.997 10.268 0.173 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.154 12.692 -0.922 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.923 11.158 -1.280 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.778 12.202 0.794 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.103 10.606 1.057 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.550 14.034 1.641 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.367 13.752 2.922 1.00 0.00 H new ATOM 320 N LYS A 27 -7.338 10.010 -1.962 1.00 0.00 N ATOM 321 CA LYS A 27 -6.816 9.374 -3.104 1.00 0.00 C ATOM 322 C LYS A 27 -6.469 8.009 -2.802 1.00 0.00 C ATOM 323 O LYS A 27 -5.877 7.761 -1.755 1.00 0.00 O ATOM 324 CB LYS A 27 -5.551 10.036 -3.606 1.00 0.00 C ATOM 325 CG LYS A 27 -5.742 11.387 -4.188 1.00 0.00 C ATOM 326 CD LYS A 27 -4.454 11.919 -4.813 1.00 0.00 C ATOM 327 CE LYS A 27 -3.961 11.026 -5.945 1.00 0.00 C ATOM 328 NZ LYS A 27 -4.925 10.951 -7.072 1.00 0.00 N ATOM 0 H LYS A 27 -6.646 10.232 -1.246 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.594 9.438 -3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.844 10.109 -2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.096 9.393 -4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.526 11.350 -4.945 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.081 12.073 -3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.624 12.926 -5.193 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.682 11.993 -4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.007 11.404 -6.312 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.779 10.023 -5.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.489 10.445 -7.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.779 10.443 -6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.184 11.913 -7.372 1.00 0.00 H new ATOM 342 N TRP A 28 -6.872 7.143 -3.681 1.00 0.00 N ATOM 343 CA TRP A 28 -6.389 5.821 -3.741 1.00 0.00 C ATOM 344 C TRP A 28 -5.241 5.894 -4.720 1.00 0.00 C ATOM 345 O TRP A 28 -5.433 5.874 -5.937 1.00 0.00 O ATOM 346 CB TRP A 28 -7.472 4.862 -4.223 1.00 0.00 C ATOM 347 CG TRP A 28 -8.558 4.624 -3.228 1.00 0.00 C ATOM 348 CD1 TRP A 28 -9.774 5.228 -3.171 1.00 0.00 C ATOM 349 CD2 TRP A 28 -8.504 3.715 -2.136 1.00 0.00 C ATOM 350 NE1 TRP A 28 -10.495 4.719 -2.113 1.00 0.00 N ATOM 351 CE2 TRP A 28 -9.726 3.788 -1.461 1.00 0.00 C ATOM 352 CE3 TRP A 28 -7.534 2.844 -1.674 1.00 0.00 C ATOM 353 CZ2 TRP A 28 -10.001 3.004 -0.334 1.00 0.00 C ATOM 354 CZ3 TRP A 28 -7.797 2.078 -0.567 1.00 0.00 C ATOM 355 CH2 TRP A 28 -9.017 2.154 0.097 1.00 0.00 C ATOM 0 H TRP A 28 -7.569 7.356 -4.394 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.079 5.443 -2.767 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -7.912 5.258 -5.138 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -7.011 3.908 -4.478 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.122 5.991 -3.851 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -11.444 4.990 -1.856 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.582 2.768 -2.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -10.951 3.067 0.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -7.039 1.400 -0.202 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.191 1.534 0.964 1.00 0.00 H new ATOM 366 N TYR A 29 -4.080 6.091 -4.192 1.00 0.00 N ATOM 367 CA TYR A 29 -2.922 6.404 -4.977 1.00 0.00 C ATOM 368 C TYR A 29 -1.911 5.255 -5.042 1.00 0.00 C ATOM 369 O TYR A 29 -1.784 4.458 -4.085 1.00 0.00 O ATOM 370 CB TYR A 29 -2.309 7.718 -4.457 1.00 0.00 C ATOM 371 CG TYR A 29 -1.945 7.741 -2.993 1.00 0.00 C ATOM 372 CD1 TYR A 29 -0.736 7.242 -2.528 1.00 0.00 C ATOM 373 CD2 TYR A 29 -2.791 8.335 -2.085 1.00 0.00 C ATOM 374 CE1 TYR A 29 -0.392 7.347 -1.212 1.00 0.00 C ATOM 375 CE2 TYR A 29 -2.475 8.427 -0.770 1.00 0.00 C ATOM 376 CZ TYR A 29 -1.251 7.932 -0.331 1.00 0.00 C ATOM 377 OH TYR A 29 -0.867 8.052 0.971 1.00 0.00 O ATOM 0 H TYR A 29 -3.901 6.040 -3.189 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.230 6.546 -6.013 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.412 7.933 -5.038 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.014 8.526 -4.649 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.057 6.763 -3.219 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.732 8.739 -2.429 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.559 6.967 -0.869 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.164 8.879 -0.072 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.315 7.366 1.509 1.00 0.00 H new ATOM 387 N PRO A 30 -1.169 5.161 -6.178 1.00 0.00 N ATOM 388 CA PRO A 30 -0.207 4.100 -6.423 1.00 0.00 C ATOM 389 C PRO A 30 0.989 4.174 -5.505 1.00 0.00 C ATOM 390 O PRO A 30 1.912 4.979 -5.700 1.00 0.00 O ATOM 391 CB PRO A 30 0.230 4.297 -7.883 1.00 0.00 C ATOM 392 CG PRO A 30 -0.733 5.271 -8.455 1.00 0.00 C ATOM 393 CD PRO A 30 -1.220 6.094 -7.308 1.00 0.00 C ATOM 0 HA PRO A 30 -0.653 3.123 -6.236 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.251 4.674 -7.940 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.208 3.355 -8.430 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.254 5.897 -9.208 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.560 4.759 -8.946 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.586 6.965 -7.140 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.231 6.464 -7.479 1.00 0.00 H new ATOM 401 N SER A 31 0.954 3.370 -4.513 1.00 0.00 N ATOM 402 CA SER A 31 1.993 3.285 -3.558 1.00 0.00 C ATOM 403 C SER A 31 2.797 2.031 -3.889 1.00 0.00 C ATOM 404 O SER A 31 2.323 1.196 -4.629 1.00 0.00 O ATOM 405 CB SER A 31 1.336 3.195 -2.201 1.00 0.00 C ATOM 406 OG SER A 31 0.403 4.251 -2.054 1.00 0.00 O ATOM 0 H SER A 31 0.178 2.732 -4.336 1.00 0.00 H new ATOM 0 HA SER A 31 2.665 4.143 -3.564 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.833 2.234 -2.092 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.090 3.251 -1.416 1.00 0.00 H new ATOM 0 HG SER A 31 0.728 5.044 -2.530 1.00 0.00 H new ATOM 412 N ARG A 32 3.978 1.886 -3.379 1.00 0.00 N ATOM 413 CA ARG A 32 4.779 0.720 -3.730 1.00 0.00 C ATOM 414 C ARG A 32 4.848 -0.273 -2.592 1.00 0.00 C ATOM 415 O ARG A 32 4.972 0.113 -1.424 1.00 0.00 O ATOM 416 CB ARG A 32 6.184 1.119 -4.160 1.00 0.00 C ATOM 417 CG ARG A 32 6.249 1.924 -5.440 1.00 0.00 C ATOM 418 CD ARG A 32 7.658 2.427 -5.678 1.00 0.00 C ATOM 419 NE ARG A 32 7.793 3.155 -6.944 1.00 0.00 N ATOM 420 CZ ARG A 32 7.708 4.488 -7.089 1.00 0.00 C ATOM 421 NH1 ARG A 32 7.262 5.247 -6.084 1.00 0.00 N ATOM 422 NH2 ARG A 32 8.016 5.050 -8.255 1.00 0.00 N ATOM 0 H ARG A 32 4.417 2.537 -2.729 1.00 0.00 H new ATOM 0 HA ARG A 32 4.282 0.240 -4.573 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.644 1.698 -3.359 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.782 0.216 -4.284 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.929 1.308 -6.281 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.560 2.767 -5.382 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.950 3.080 -4.855 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.346 1.582 -5.674 1.00 0.00 H new ATOM 0 HE ARG A 32 7.966 2.603 -7.784 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.985 4.815 -5.203 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.199 6.259 -6.198 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.316 4.469 -9.038 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.952 6.062 -8.366 1.00 0.00 H new ATOM 436 N ILE A 33 4.701 -1.539 -2.927 1.00 0.00 N ATOM 437 CA ILE A 33 4.832 -2.608 -1.964 1.00 0.00 C ATOM 438 C ILE A 33 6.307 -2.867 -1.760 1.00 0.00 C ATOM 439 O ILE A 33 6.976 -3.403 -2.645 1.00 0.00 O ATOM 440 CB ILE A 33 4.157 -3.931 -2.429 1.00 0.00 C ATOM 441 CG1 ILE A 33 2.668 -3.726 -2.738 1.00 0.00 C ATOM 442 CG2 ILE A 33 4.321 -4.984 -1.353 1.00 0.00 C ATOM 443 CD1 ILE A 33 1.941 -4.986 -3.188 1.00 0.00 C ATOM 0 H ILE A 33 4.488 -1.853 -3.874 1.00 0.00 H new ATOM 0 HA ILE A 33 4.333 -2.297 -1.046 1.00 0.00 H new ATOM 0 HB ILE A 33 4.644 -4.259 -3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.175 -3.335 -1.848 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.571 -2.968 -3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.849 -5.912 -1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.382 -5.160 -1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.850 -4.640 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.895 -4.752 -3.385 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.405 -5.369 -4.097 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.002 -5.741 -2.404 1.00 0.00 H new ATOM 455 N GLU A 34 6.800 -2.464 -0.639 1.00 0.00 N ATOM 456 CA GLU A 34 8.204 -2.551 -0.308 1.00 0.00 C ATOM 457 C GLU A 34 8.546 -3.959 0.182 1.00 0.00 C ATOM 458 O GLU A 34 9.529 -4.546 -0.240 1.00 0.00 O ATOM 459 CB GLU A 34 8.501 -1.497 0.753 1.00 0.00 C ATOM 460 CG GLU A 34 8.048 -0.148 0.356 1.00 0.00 C ATOM 461 CD GLU A 34 8.896 0.408 -0.740 1.00 0.00 C ATOM 462 OE1 GLU A 34 9.976 0.935 -0.438 1.00 0.00 O ATOM 463 OE2 GLU A 34 8.504 0.372 -1.906 1.00 0.00 O ATOM 0 H GLU A 34 6.232 -2.052 0.101 1.00 0.00 H new ATOM 0 HA GLU A 34 8.821 -2.362 -1.186 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.015 -1.779 1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.573 -1.474 0.947 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.009 -0.193 0.028 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.082 0.518 1.218 1.00 0.00 H new ATOM 470 N LYS A 35 7.708 -4.489 1.063 1.00 0.00 N ATOM 471 CA LYS A 35 7.830 -5.854 1.613 1.00 0.00 C ATOM 472 C LYS A 35 6.436 -6.326 1.958 1.00 0.00 C ATOM 473 O LYS A 35 5.518 -5.503 2.000 1.00 0.00 O ATOM 474 CB LYS A 35 8.718 -5.906 2.876 1.00 0.00 C ATOM 475 CG LYS A 35 10.183 -5.598 2.639 1.00 0.00 C ATOM 476 CD LYS A 35 10.996 -5.724 3.907 1.00 0.00 C ATOM 477 CE LYS A 35 12.460 -5.422 3.638 1.00 0.00 C ATOM 478 NZ LYS A 35 13.285 -5.546 4.855 1.00 0.00 N ATOM 0 H LYS A 35 6.904 -3.980 1.430 1.00 0.00 H new ATOM 0 HA LYS A 35 8.305 -6.493 0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.327 -5.198 3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.637 -6.899 3.318 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.580 -6.277 1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.282 -4.588 2.243 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.611 -5.038 4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.896 -6.731 4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.836 -6.103 2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.554 -4.412 3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.276 -5.331 4.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.944 -4.878 5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.217 -6.516 5.223 1.00 0.00 H new ATOM 492 N ILE A 36 6.245 -7.613 2.200 1.00 0.00 N ATOM 493 CA ILE A 36 4.900 -8.116 2.492 1.00 0.00 C ATOM 494 C ILE A 36 4.945 -9.159 3.599 1.00 0.00 C ATOM 495 O ILE A 36 5.818 -10.026 3.603 1.00 0.00 O ATOM 496 CB ILE A 36 4.246 -8.828 1.262 1.00 0.00 C ATOM 497 CG1 ILE A 36 4.498 -8.064 -0.038 1.00 0.00 C ATOM 498 CG2 ILE A 36 2.738 -8.971 1.493 1.00 0.00 C ATOM 499 CD1 ILE A 36 3.902 -8.708 -1.266 1.00 0.00 C ATOM 0 H ILE A 36 6.981 -8.319 2.202 1.00 0.00 H new ATOM 0 HA ILE A 36 4.318 -7.239 2.776 1.00 0.00 H new ATOM 0 HB ILE A 36 4.704 -9.812 1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.093 -7.057 0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.574 -7.962 -0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.284 -9.467 0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.562 -9.564 2.390 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.294 -7.983 1.618 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.129 -8.100 -2.142 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.325 -9.704 -1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.821 -8.786 -1.148 1.00 0.00 H new ATOM 511 N ASP A 37 4.034 -9.061 4.535 1.00 0.00 N ATOM 512 CA ASP A 37 3.827 -10.103 5.519 1.00 0.00 C ATOM 513 C ASP A 37 2.482 -10.685 5.188 1.00 0.00 C ATOM 514 O ASP A 37 1.498 -9.958 5.119 1.00 0.00 O ATOM 515 CB ASP A 37 3.788 -9.553 6.944 1.00 0.00 C ATOM 516 CG ASP A 37 3.867 -10.649 7.999 1.00 0.00 C ATOM 517 OD1 ASP A 37 2.897 -11.393 8.195 1.00 0.00 O ATOM 518 OD2 ASP A 37 4.926 -10.768 8.670 1.00 0.00 O ATOM 0 H ASP A 37 3.413 -8.258 4.639 1.00 0.00 H new ATOM 0 HA ASP A 37 4.641 -10.827 5.485 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.617 -8.859 7.084 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.869 -8.984 7.085 1.00 0.00 H new ATOM 523 N TYR A 38 2.423 -11.947 4.982 1.00 0.00 N ATOM 524 CA TYR A 38 1.215 -12.575 4.522 1.00 0.00 C ATOM 525 C TYR A 38 0.516 -13.234 5.683 1.00 0.00 C ATOM 526 O TYR A 38 -0.702 -13.390 5.672 1.00 0.00 O ATOM 527 CB TYR A 38 1.513 -13.629 3.455 1.00 0.00 C ATOM 528 CG TYR A 38 2.369 -13.164 2.290 1.00 0.00 C ATOM 529 CD1 TYR A 38 3.758 -13.204 2.368 1.00 0.00 C ATOM 530 CD2 TYR A 38 1.794 -12.715 1.110 1.00 0.00 C ATOM 531 CE1 TYR A 38 4.543 -12.808 1.310 1.00 0.00 C ATOM 532 CE2 TYR A 38 2.575 -12.325 0.040 1.00 0.00 C ATOM 533 CZ TYR A 38 3.952 -12.372 0.148 1.00 0.00 C ATOM 534 OH TYR A 38 4.740 -12.005 -0.923 1.00 0.00 O ATOM 0 H TYR A 38 3.205 -12.586 5.124 1.00 0.00 H new ATOM 0 HA TYR A 38 0.578 -11.806 4.084 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.010 -14.473 3.933 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.566 -13.999 3.061 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.228 -13.552 3.276 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.718 -12.670 1.027 1.00 0.00 H new ATOM 0 HE1 TYR A 38 5.619 -12.840 1.392 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.113 -11.986 -0.875 1.00 0.00 H new ATOM 0 HH TYR A 38 4.189 -11.953 -1.732 1.00 0.00 H new ATOM 544 N GLU A 39 1.284 -13.593 6.690 1.00 0.00 N ATOM 545 CA GLU A 39 0.757 -14.280 7.859 1.00 0.00 C ATOM 546 C GLU A 39 -0.095 -13.311 8.683 1.00 0.00 C ATOM 547 O GLU A 39 -1.267 -13.577 8.965 1.00 0.00 O ATOM 548 CB GLU A 39 1.901 -14.823 8.712 1.00 0.00 C ATOM 549 CG GLU A 39 2.878 -15.749 7.986 1.00 0.00 C ATOM 550 CD GLU A 39 2.238 -17.000 7.419 1.00 0.00 C ATOM 551 OE1 GLU A 39 1.660 -17.796 8.196 1.00 0.00 O ATOM 552 OE2 GLU A 39 2.323 -17.221 6.180 1.00 0.00 O ATOM 0 H GLU A 39 2.288 -13.419 6.725 1.00 0.00 H new ATOM 0 HA GLU A 39 0.138 -15.116 7.532 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.460 -13.980 9.119 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.476 -15.363 9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.351 -15.196 7.175 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.669 -16.040 8.678 1.00 0.00 H new ATOM 559 N GLU A 40 0.491 -12.170 9.026 1.00 0.00 N ATOM 560 CA GLU A 40 -0.218 -11.123 9.747 1.00 0.00 C ATOM 561 C GLU A 40 -1.091 -10.418 8.737 1.00 0.00 C ATOM 562 O GLU A 40 -2.183 -9.925 9.040 1.00 0.00 O ATOM 563 CB GLU A 40 0.778 -10.115 10.346 1.00 0.00 C ATOM 564 CG GLU A 40 0.155 -9.046 11.233 1.00 0.00 C ATOM 565 CD GLU A 40 -0.436 -9.611 12.500 1.00 0.00 C ATOM 566 OE1 GLU A 40 0.305 -9.748 13.495 1.00 0.00 O ATOM 567 OE2 GLU A 40 -1.644 -9.915 12.531 1.00 0.00 O ATOM 0 H GLU A 40 1.463 -11.947 8.814 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.803 -11.547 10.563 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.520 -10.662 10.928 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.310 -9.625 9.531 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.913 -8.306 11.489 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.623 -8.525 10.675 1.00 0.00 H new ATOM 574 N GLY A 41 -0.577 -10.382 7.532 1.00 0.00 N ATOM 575 CA GLY A 41 -1.273 -9.818 6.441 1.00 0.00 C ATOM 576 C GLY A 41 -1.204 -8.326 6.417 1.00 0.00 C ATOM 577 O GLY A 41 -2.219 -7.638 6.519 1.00 0.00 O ATOM 0 H GLY A 41 0.344 -10.751 7.297 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.861 -10.211 5.511 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.317 -10.128 6.483 1.00 0.00 H new ATOM 581 N LYS A 42 -0.011 -7.834 6.286 1.00 0.00 N ATOM 582 CA LYS A 42 0.258 -6.431 6.191 1.00 0.00 C ATOM 583 C LYS A 42 1.442 -6.236 5.294 1.00 0.00 C ATOM 584 O LYS A 42 2.368 -7.043 5.310 1.00 0.00 O ATOM 585 CB LYS A 42 0.473 -5.765 7.580 1.00 0.00 C ATOM 586 CG LYS A 42 1.530 -6.372 8.475 1.00 0.00 C ATOM 587 CD LYS A 42 1.616 -5.608 9.795 1.00 0.00 C ATOM 588 CE LYS A 42 2.634 -6.207 10.767 1.00 0.00 C ATOM 589 NZ LYS A 42 4.037 -5.996 10.346 1.00 0.00 N ATOM 0 H LYS A 42 0.827 -8.414 6.241 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.614 -5.934 5.766 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.727 -4.717 7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.476 -5.784 8.116 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.294 -7.418 8.668 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.497 -6.351 7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.883 -4.571 9.591 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.634 -5.598 10.267 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.487 -5.767 11.753 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.448 -7.277 10.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.677 -6.424 11.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.191 -6.439 9.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.230 -4.976 10.279 1.00 0.00 H new ATOM 603 N MET A 43 1.417 -5.222 4.501 1.00 0.00 N ATOM 604 CA MET A 43 2.489 -4.986 3.589 1.00 0.00 C ATOM 605 C MET A 43 3.180 -3.712 3.971 1.00 0.00 C ATOM 606 O MET A 43 2.625 -2.875 4.695 1.00 0.00 O ATOM 607 CB MET A 43 2.010 -4.922 2.110 1.00 0.00 C ATOM 608 CG MET A 43 1.331 -3.610 1.661 1.00 0.00 C ATOM 609 SD MET A 43 -0.178 -3.194 2.557 1.00 0.00 S ATOM 610 CE MET A 43 -1.201 -4.621 2.220 1.00 0.00 C ATOM 0 H MET A 43 0.662 -4.537 4.463 1.00 0.00 H new ATOM 0 HA MET A 43 3.181 -5.826 3.655 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.871 -5.099 1.465 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.312 -5.742 1.942 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.042 -2.792 1.775 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.098 -3.683 0.599 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.219 -4.296 2.007 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.804 -5.158 1.359 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.204 -5.279 3.089 1.00 0.00 H new ATOM 620 N LEU A 44 4.378 -3.584 3.539 1.00 0.00 N ATOM 621 CA LEU A 44 5.116 -2.400 3.752 1.00 0.00 C ATOM 622 C LEU A 44 4.781 -1.525 2.565 1.00 0.00 C ATOM 623 O LEU A 44 5.175 -1.823 1.438 1.00 0.00 O ATOM 624 CB LEU A 44 6.618 -2.733 3.791 1.00 0.00 C ATOM 625 CG LEU A 44 7.564 -1.743 4.496 1.00 0.00 C ATOM 626 CD1 LEU A 44 8.993 -2.228 4.399 1.00 0.00 C ATOM 627 CD2 LEU A 44 7.446 -0.340 3.948 1.00 0.00 C ATOM 0 H LEU A 44 4.879 -4.307 3.022 1.00 0.00 H new ATOM 0 HA LEU A 44 4.876 -1.907 4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.732 -3.704 4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.961 -2.847 2.763 1.00 0.00 H new ATOM 0 HG LEU A 44 7.265 -1.702 5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.652 -1.520 4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.079 -3.205 4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.279 -2.310 3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.134 0.317 4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.693 -0.342 2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.425 0.018 4.082 1.00 0.00 H new ATOM 639 N VAL A 45 4.010 -0.530 2.798 1.00 0.00 N ATOM 640 CA VAL A 45 3.567 0.345 1.765 1.00 0.00 C ATOM 641 C VAL A 45 4.358 1.639 1.775 1.00 0.00 C ATOM 642 O VAL A 45 4.474 2.314 2.798 1.00 0.00 O ATOM 643 CB VAL A 45 2.016 0.588 1.830 1.00 0.00 C ATOM 644 CG1 VAL A 45 1.547 0.851 3.246 1.00 0.00 C ATOM 645 CG2 VAL A 45 1.599 1.745 0.939 1.00 0.00 C ATOM 0 H VAL A 45 3.660 -0.291 3.726 1.00 0.00 H new ATOM 0 HA VAL A 45 3.758 -0.142 0.809 1.00 0.00 H new ATOM 0 HB VAL A 45 1.544 -0.327 1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.469 1.014 3.248 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.785 -0.008 3.874 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.049 1.736 3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.520 1.886 1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.105 2.654 1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.872 1.526 -0.093 1.00 0.00 H new ATOM 655 N HIS A 46 4.964 1.932 0.665 1.00 0.00 N ATOM 656 CA HIS A 46 5.700 3.142 0.509 1.00 0.00 C ATOM 657 C HIS A 46 4.833 4.087 -0.294 1.00 0.00 C ATOM 658 O HIS A 46 4.641 3.896 -1.503 1.00 0.00 O ATOM 659 CB HIS A 46 7.002 2.849 -0.208 1.00 0.00 C ATOM 660 CG HIS A 46 8.093 3.862 -0.087 1.00 0.00 C ATOM 661 ND1 HIS A 46 9.397 3.478 0.064 1.00 0.00 N ATOM 662 CD2 HIS A 46 8.097 5.212 -0.068 1.00 0.00 C ATOM 663 CE1 HIS A 46 10.159 4.521 0.186 1.00 0.00 C ATOM 664 NE2 HIS A 46 9.404 5.599 0.110 1.00 0.00 N ATOM 0 H HIS A 46 4.960 1.333 -0.161 1.00 0.00 H new ATOM 0 HA HIS A 46 5.947 3.592 1.471 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.383 1.897 0.161 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.781 2.716 -1.267 1.00 0.00 H new ATOM 0 HD1 HIS A 46 9.723 2.512 0.079 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.240 5.861 -0.172 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.230 4.508 0.326 1.00 0.00 H new ATOM 673 N PHE A 47 4.300 5.060 0.372 1.00 0.00 N ATOM 674 CA PHE A 47 3.338 5.991 -0.191 1.00 0.00 C ATOM 675 C PHE A 47 4.047 7.048 -1.021 1.00 0.00 C ATOM 676 O PHE A 47 5.286 7.153 -0.989 1.00 0.00 O ATOM 677 CB PHE A 47 2.585 6.695 0.939 1.00 0.00 C ATOM 678 CG PHE A 47 1.957 5.784 1.956 1.00 0.00 C ATOM 679 CD1 PHE A 47 2.689 5.326 3.039 1.00 0.00 C ATOM 680 CD2 PHE A 47 0.639 5.415 1.849 1.00 0.00 C ATOM 681 CE1 PHE A 47 2.116 4.521 3.987 1.00 0.00 C ATOM 682 CE2 PHE A 47 0.060 4.605 2.792 1.00 0.00 C ATOM 683 CZ PHE A 47 0.801 4.162 3.863 1.00 0.00 C ATOM 0 H PHE A 47 4.519 5.246 1.351 1.00 0.00 H new ATOM 0 HA PHE A 47 2.646 5.432 -0.821 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.276 7.364 1.452 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.804 7.317 0.501 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.727 5.608 3.137 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.052 5.766 1.013 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.698 4.172 4.827 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.976 4.315 2.694 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.344 3.529 4.609 1.00 0.00 H new ATOM 693 N GLU A 48 3.274 7.822 -1.757 1.00 0.00 N ATOM 694 CA GLU A 48 3.821 8.913 -2.534 1.00 0.00 C ATOM 695 C GLU A 48 4.054 10.100 -1.604 1.00 0.00 C ATOM 696 O GLU A 48 5.195 10.537 -1.396 1.00 0.00 O ATOM 697 CB GLU A 48 2.858 9.338 -3.645 1.00 0.00 C ATOM 698 CG GLU A 48 2.396 8.228 -4.570 1.00 0.00 C ATOM 699 CD GLU A 48 1.482 8.752 -5.652 1.00 0.00 C ATOM 700 OE1 GLU A 48 0.430 9.339 -5.330 1.00 0.00 O ATOM 701 OE2 GLU A 48 1.824 8.642 -6.852 1.00 0.00 O ATOM 0 H GLU A 48 2.263 7.714 -1.832 1.00 0.00 H new ATOM 0 HA GLU A 48 4.753 8.584 -2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.980 9.794 -3.186 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.341 10.109 -4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.263 7.748 -5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.876 7.464 -3.992 1.00 0.00 H new ATOM 708 N ARG A 49 2.976 10.581 -1.017 1.00 0.00 N ATOM 709 CA ARG A 49 3.008 11.725 -0.134 1.00 0.00 C ATOM 710 C ARG A 49 2.587 11.271 1.260 1.00 0.00 C ATOM 711 O ARG A 49 1.395 11.189 1.565 1.00 0.00 O ATOM 712 CB ARG A 49 2.040 12.786 -0.660 1.00 0.00 C ATOM 713 CG ARG A 49 2.166 14.157 -0.031 1.00 0.00 C ATOM 714 CD ARG A 49 1.111 15.103 -0.581 1.00 0.00 C ATOM 715 NE ARG A 49 1.114 15.141 -2.056 1.00 0.00 N ATOM 716 CZ ARG A 49 0.169 15.706 -2.812 1.00 0.00 C ATOM 717 NH1 ARG A 49 -0.687 16.560 -2.274 1.00 0.00 N ATOM 718 NH2 ARG A 49 0.156 15.500 -4.116 1.00 0.00 N ATOM 0 H ARG A 49 2.045 10.183 -1.142 1.00 0.00 H new ATOM 0 HA ARG A 49 4.010 12.151 -0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.187 12.885 -1.736 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.021 12.429 -0.509 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.060 14.077 1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.160 14.561 -0.225 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.127 14.792 -0.229 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.286 16.106 -0.193 1.00 0.00 H new ATOM 0 HE ARG A 49 1.899 14.701 -2.536 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.625 16.787 -1.282 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.408 16.991 -2.852 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.868 14.909 -4.546 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.566 15.932 -4.693 1.00 0.00 H new ATOM 732 N TRP A 50 3.544 10.957 2.084 1.00 0.00 N ATOM 733 CA TRP A 50 3.263 10.400 3.384 1.00 0.00 C ATOM 734 C TRP A 50 3.997 11.157 4.450 1.00 0.00 C ATOM 735 O TRP A 50 5.187 11.435 4.309 1.00 0.00 O ATOM 736 CB TRP A 50 3.677 8.927 3.404 1.00 0.00 C ATOM 737 CG TRP A 50 3.437 8.215 4.704 1.00 0.00 C ATOM 738 CD1 TRP A 50 4.369 7.626 5.500 1.00 0.00 C ATOM 739 CD2 TRP A 50 2.187 8.028 5.352 1.00 0.00 C ATOM 740 NE1 TRP A 50 3.775 7.061 6.589 1.00 0.00 N ATOM 741 CE2 TRP A 50 2.430 7.303 6.529 1.00 0.00 C ATOM 742 CE3 TRP A 50 0.886 8.398 5.047 1.00 0.00 C ATOM 743 CZ2 TRP A 50 1.412 6.947 7.401 1.00 0.00 C ATOM 744 CZ3 TRP A 50 -0.114 8.047 5.908 1.00 0.00 C ATOM 745 CH2 TRP A 50 0.148 7.328 7.074 1.00 0.00 C ATOM 0 H TRP A 50 4.536 11.077 1.880 1.00 0.00 H new ATOM 0 HA TRP A 50 2.194 10.480 3.583 1.00 0.00 H new ATOM 0 HB2 TRP A 50 3.137 8.403 2.616 1.00 0.00 H new ATOM 0 HB3 TRP A 50 4.738 8.861 3.162 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.430 7.608 5.298 1.00 0.00 H new ATOM 0 HE1 TRP A 50 4.254 6.544 7.326 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.668 8.953 4.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.615 6.390 8.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -1.131 8.333 5.681 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.669 7.069 7.731 1.00 0.00 H new ATOM 756 N SER A 51 3.313 11.482 5.508 1.00 0.00 N ATOM 757 CA SER A 51 3.931 12.162 6.592 1.00 0.00 C ATOM 758 C SER A 51 4.313 11.172 7.698 1.00 0.00 C ATOM 759 O SER A 51 3.477 10.778 8.509 1.00 0.00 O ATOM 760 CB SER A 51 3.019 13.270 7.103 1.00 0.00 C ATOM 761 OG SER A 51 2.667 14.150 6.033 1.00 0.00 O ATOM 0 H SER A 51 2.321 11.283 5.637 1.00 0.00 H new ATOM 0 HA SER A 51 4.853 12.629 6.246 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.119 12.838 7.540 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.520 13.829 7.893 1.00 0.00 H new ATOM 0 HG SER A 51 2.079 14.858 6.371 1.00 0.00 H new ATOM 767 N HIS A 52 5.563 10.717 7.629 1.00 0.00 N ATOM 768 CA HIS A 52 6.243 9.817 8.590 1.00 0.00 C ATOM 769 C HIS A 52 7.627 9.510 8.066 1.00 0.00 C ATOM 770 O HIS A 52 8.552 10.287 8.282 1.00 0.00 O ATOM 771 CB HIS A 52 5.488 8.508 8.933 1.00 0.00 C ATOM 772 CG HIS A 52 4.636 8.563 10.163 1.00 0.00 C ATOM 773 ND1 HIS A 52 3.742 7.579 10.516 1.00 0.00 N ATOM 774 CD2 HIS A 52 4.578 9.482 11.152 1.00 0.00 C ATOM 775 CE1 HIS A 52 3.178 7.898 11.655 1.00 0.00 C ATOM 776 NE2 HIS A 52 3.666 9.041 12.060 1.00 0.00 N ATOM 0 H HIS A 52 6.176 10.977 6.856 1.00 0.00 H new ATOM 0 HA HIS A 52 6.280 10.356 9.537 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.857 8.240 8.086 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.218 7.708 9.053 1.00 0.00 H new ATOM 0 HD1 HIS A 52 3.549 6.735 9.977 1.00 0.00 H new ATOM 0 HD2 HIS A 52 5.149 10.397 11.211 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.433 7.313 12.174 1.00 0.00 H new ATOM 785 N ARG A 53 7.772 8.424 7.330 1.00 0.00 N ATOM 786 CA ARG A 53 9.049 8.106 6.687 1.00 0.00 C ATOM 787 C ARG A 53 8.768 7.651 5.253 1.00 0.00 C ATOM 788 O ARG A 53 9.612 7.077 4.580 1.00 0.00 O ATOM 789 CB ARG A 53 9.773 6.998 7.468 1.00 0.00 C ATOM 790 CG ARG A 53 11.227 6.772 7.048 1.00 0.00 C ATOM 791 CD ARG A 53 11.828 5.584 7.759 1.00 0.00 C ATOM 792 NE ARG A 53 11.158 4.326 7.402 1.00 0.00 N ATOM 793 CZ ARG A 53 11.093 3.246 8.183 1.00 0.00 C ATOM 794 NH1 ARG A 53 11.534 3.277 9.432 1.00 0.00 N ATOM 795 NH2 ARG A 53 10.568 2.146 7.723 1.00 0.00 N ATOM 0 H ARG A 53 7.030 7.745 7.158 1.00 0.00 H new ATOM 0 HA ARG A 53 9.691 8.987 6.676 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.749 7.244 8.530 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.223 6.065 7.344 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.276 6.616 5.970 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.813 7.664 7.268 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.887 5.512 7.512 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.762 5.736 8.836 1.00 0.00 H new ATOM 0 HE ARG A 53 10.708 4.274 6.488 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.931 4.136 9.811 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.476 2.441 10.014 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.209 2.112 6.769 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.516 1.318 8.317 1.00 0.00 H new ATOM 809 N TYR A 54 7.549 7.924 4.807 1.00 0.00 N ATOM 810 CA TYR A 54 7.035 7.551 3.470 1.00 0.00 C ATOM 811 C TYR A 54 6.717 6.061 3.321 1.00 0.00 C ATOM 812 O TYR A 54 5.903 5.691 2.488 1.00 0.00 O ATOM 813 CB TYR A 54 7.916 8.041 2.311 1.00 0.00 C ATOM 814 CG TYR A 54 7.959 9.540 2.142 1.00 0.00 C ATOM 815 CD1 TYR A 54 6.956 10.204 1.457 1.00 0.00 C ATOM 816 CD2 TYR A 54 9.008 10.285 2.647 1.00 0.00 C ATOM 817 CE1 TYR A 54 6.996 11.567 1.281 1.00 0.00 C ATOM 818 CE2 TYR A 54 9.056 11.651 2.472 1.00 0.00 C ATOM 819 CZ TYR A 54 8.050 12.287 1.789 1.00 0.00 C ATOM 820 OH TYR A 54 8.106 13.652 1.599 1.00 0.00 O ATOM 0 H TYR A 54 6.862 8.424 5.371 1.00 0.00 H new ATOM 0 HA TYR A 54 6.088 8.086 3.402 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.932 7.677 2.466 1.00 0.00 H new ATOM 0 HB3 TYR A 54 7.555 7.595 1.384 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.127 9.641 1.054 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.801 9.789 3.187 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.203 12.069 0.746 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.883 12.219 2.871 1.00 0.00 H new ATOM 0 HH TYR A 54 8.915 14.008 2.022 1.00 0.00 H new ATOM 830 N ASP A 55 7.344 5.220 4.099 1.00 0.00 N ATOM 831 CA ASP A 55 7.080 3.792 4.045 1.00 0.00 C ATOM 832 C ASP A 55 6.597 3.325 5.413 1.00 0.00 C ATOM 833 O ASP A 55 7.168 3.709 6.441 1.00 0.00 O ATOM 834 CB ASP A 55 8.338 3.010 3.604 1.00 0.00 C ATOM 835 CG ASP A 55 9.427 2.934 4.658 1.00 0.00 C ATOM 836 OD1 ASP A 55 10.144 3.929 4.879 1.00 0.00 O ATOM 837 OD2 ASP A 55 9.587 1.869 5.279 1.00 0.00 O ATOM 0 H ASP A 55 8.047 5.494 4.785 1.00 0.00 H new ATOM 0 HA ASP A 55 6.305 3.598 3.304 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.044 1.997 3.328 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.747 3.478 2.709 1.00 0.00 H new ATOM 842 N GLU A 56 5.539 2.555 5.442 1.00 0.00 N ATOM 843 CA GLU A 56 4.961 2.100 6.694 1.00 0.00 C ATOM 844 C GLU A 56 4.240 0.764 6.457 1.00 0.00 C ATOM 845 O GLU A 56 3.868 0.466 5.335 1.00 0.00 O ATOM 846 CB GLU A 56 3.990 3.186 7.205 1.00 0.00 C ATOM 847 CG GLU A 56 3.481 2.984 8.617 1.00 0.00 C ATOM 848 CD GLU A 56 2.654 4.147 9.105 1.00 0.00 C ATOM 849 OE1 GLU A 56 3.245 5.188 9.509 1.00 0.00 O ATOM 850 OE2 GLU A 56 1.413 4.037 9.146 1.00 0.00 O ATOM 0 H GLU A 56 5.052 2.224 4.609 1.00 0.00 H new ATOM 0 HA GLU A 56 5.731 1.938 7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.491 4.153 7.151 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.135 3.232 6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.882 2.074 8.657 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.328 2.838 9.288 1.00 0.00 H new ATOM 857 N TRP A 57 4.093 -0.047 7.487 1.00 0.00 N ATOM 858 CA TRP A 57 3.400 -1.333 7.358 1.00 0.00 C ATOM 859 C TRP A 57 1.940 -1.192 7.710 1.00 0.00 C ATOM 860 O TRP A 57 1.609 -0.698 8.803 1.00 0.00 O ATOM 861 CB TRP A 57 4.004 -2.394 8.281 1.00 0.00 C ATOM 862 CG TRP A 57 5.364 -2.877 7.902 1.00 0.00 C ATOM 863 CD1 TRP A 57 6.553 -2.260 8.130 1.00 0.00 C ATOM 864 CD2 TRP A 57 5.671 -4.114 7.257 1.00 0.00 C ATOM 865 NE1 TRP A 57 7.580 -3.029 7.656 1.00 0.00 N ATOM 866 CE2 TRP A 57 7.065 -4.175 7.112 1.00 0.00 C ATOM 867 CE3 TRP A 57 4.898 -5.173 6.780 1.00 0.00 C ATOM 868 CZ2 TRP A 57 7.706 -5.256 6.513 1.00 0.00 C ATOM 869 CZ3 TRP A 57 5.529 -6.244 6.187 1.00 0.00 C ATOM 870 CH2 TRP A 57 6.920 -6.280 6.055 1.00 0.00 C ATOM 0 H TRP A 57 4.440 0.153 8.425 1.00 0.00 H new ATOM 0 HA TRP A 57 3.513 -1.644 6.320 1.00 0.00 H new ATOM 0 HB2 TRP A 57 4.050 -1.988 9.291 1.00 0.00 H new ATOM 0 HB3 TRP A 57 3.329 -3.250 8.312 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.670 -1.302 8.615 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.570 -2.788 7.701 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.822 -5.153 6.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 8.781 -5.286 6.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 4.939 -7.070 5.818 1.00 0.00 H new ATOM 0 HH2 TRP A 57 7.385 -7.133 5.582 1.00 0.00 H new ATOM 881 N ILE A 58 1.063 -1.606 6.813 1.00 0.00 N ATOM 882 CA ILE A 58 -0.374 -1.582 7.065 1.00 0.00 C ATOM 883 C ILE A 58 -0.971 -2.874 6.484 1.00 0.00 C ATOM 884 O ILE A 58 -0.376 -3.476 5.619 1.00 0.00 O ATOM 885 CB ILE A 58 -1.093 -0.353 6.433 1.00 0.00 C ATOM 886 CG1 ILE A 58 -0.260 0.925 6.581 1.00 0.00 C ATOM 887 CG2 ILE A 58 -2.427 -0.144 7.151 1.00 0.00 C ATOM 888 CD1 ILE A 58 -0.880 2.131 5.934 1.00 0.00 C ATOM 0 H ILE A 58 1.320 -1.967 5.894 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.526 -1.505 8.142 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.238 -0.551 5.371 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.111 1.129 7.641 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.726 0.758 6.147 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.942 0.714 6.719 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.045 -1.034 7.036 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.245 0.038 8.210 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.233 2.996 6.081 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.004 1.948 4.867 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.853 2.326 6.384 1.00 0.00 H new ATOM 900 N TYR A 59 -2.126 -3.277 6.963 1.00 0.00 N ATOM 901 CA TYR A 59 -2.748 -4.552 6.624 1.00 0.00 C ATOM 902 C TYR A 59 -3.462 -4.507 5.256 1.00 0.00 C ATOM 903 O TYR A 59 -3.690 -3.424 4.719 1.00 0.00 O ATOM 904 CB TYR A 59 -3.743 -4.943 7.708 1.00 0.00 C ATOM 905 CG TYR A 59 -3.239 -4.830 9.129 1.00 0.00 C ATOM 906 CD1 TYR A 59 -2.491 -5.838 9.716 1.00 0.00 C ATOM 907 CD2 TYR A 59 -3.525 -3.700 9.888 1.00 0.00 C ATOM 908 CE1 TYR A 59 -2.045 -5.721 11.018 1.00 0.00 C ATOM 909 CE2 TYR A 59 -3.086 -3.578 11.184 1.00 0.00 C ATOM 910 CZ TYR A 59 -2.347 -4.589 11.746 1.00 0.00 C ATOM 911 OH TYR A 59 -1.907 -4.468 13.045 1.00 0.00 O ATOM 0 H TYR A 59 -2.678 -2.720 7.615 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.954 -5.296 6.557 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.630 -4.317 7.605 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.057 -5.972 7.534 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.254 -6.726 9.149 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.105 -2.901 9.449 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.462 -6.513 11.464 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.321 -2.693 11.757 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.206 -3.610 13.413 1.00 0.00 H new ATOM 921 N TRP A 60 -3.880 -5.706 4.774 1.00 0.00 N ATOM 922 CA TRP A 60 -4.470 -5.942 3.419 1.00 0.00 C ATOM 923 C TRP A 60 -5.406 -4.840 2.894 1.00 0.00 C ATOM 924 O TRP A 60 -5.098 -4.205 1.901 1.00 0.00 O ATOM 925 CB TRP A 60 -5.198 -7.293 3.327 1.00 0.00 C ATOM 926 CG TRP A 60 -4.348 -8.516 3.545 1.00 0.00 C ATOM 927 CD1 TRP A 60 -4.592 -9.518 4.433 1.00 0.00 C ATOM 928 CD2 TRP A 60 -3.125 -8.872 2.865 1.00 0.00 C ATOM 929 NE1 TRP A 60 -3.619 -10.479 4.343 1.00 0.00 N ATOM 930 CE2 TRP A 60 -2.703 -10.105 3.396 1.00 0.00 C ATOM 931 CE3 TRP A 60 -2.351 -8.274 1.867 1.00 0.00 C ATOM 932 CZ2 TRP A 60 -1.545 -10.749 2.964 1.00 0.00 C ATOM 933 CZ3 TRP A 60 -1.201 -8.918 1.445 1.00 0.00 C ATOM 934 CH2 TRP A 60 -0.812 -10.137 1.988 1.00 0.00 C ATOM 0 H TRP A 60 -3.817 -6.561 5.327 1.00 0.00 H new ATOM 0 HA TRP A 60 -3.591 -5.936 2.775 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -6.004 -7.300 4.060 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -5.661 -7.367 2.343 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -5.432 -9.551 5.111 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -3.583 -11.337 4.894 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.644 -7.329 1.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.239 -11.695 3.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -0.593 -8.464 0.677 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.090 -10.611 1.630 1.00 0.00 H new ATOM 945 N ASP A 61 -6.567 -4.666 3.506 1.00 0.00 N ATOM 946 CA ASP A 61 -7.520 -3.624 3.047 1.00 0.00 C ATOM 947 C ASP A 61 -8.084 -2.970 4.253 1.00 0.00 C ATOM 948 O ASP A 61 -9.109 -2.292 4.193 1.00 0.00 O ATOM 949 CB ASP A 61 -8.752 -4.196 2.299 1.00 0.00 C ATOM 950 CG ASP A 61 -8.585 -5.550 1.657 1.00 0.00 C ATOM 951 OD1 ASP A 61 -8.673 -6.585 2.370 1.00 0.00 O ATOM 952 OD2 ASP A 61 -8.431 -5.620 0.425 1.00 0.00 O ATOM 0 H ASP A 61 -6.883 -5.212 4.307 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.964 -2.966 2.379 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.582 -4.253 3.004 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.040 -3.485 1.524 1.00 0.00 H new ATOM 957 N SER A 62 -7.387 -3.127 5.318 1.00 0.00 N ATOM 958 CA SER A 62 -7.860 -2.818 6.641 1.00 0.00 C ATOM 959 C SER A 62 -8.301 -1.365 6.898 1.00 0.00 C ATOM 960 O SER A 62 -9.062 -1.114 7.829 1.00 0.00 O ATOM 961 CB SER A 62 -6.836 -3.307 7.603 1.00 0.00 C ATOM 962 OG SER A 62 -6.662 -4.686 7.377 1.00 0.00 O ATOM 0 H SER A 62 -6.433 -3.487 5.305 1.00 0.00 H new ATOM 0 HA SER A 62 -8.808 -3.337 6.779 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.895 -2.775 7.464 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.157 -3.125 8.629 1.00 0.00 H new ATOM 0 HG SER A 62 -6.564 -5.148 8.235 1.00 0.00 H new ATOM 968 N ASN A 63 -7.875 -0.431 6.081 1.00 0.00 N ATOM 969 CA ASN A 63 -8.300 0.952 6.280 1.00 0.00 C ATOM 970 C ASN A 63 -8.154 1.806 5.041 1.00 0.00 C ATOM 971 O ASN A 63 -9.011 2.632 4.753 1.00 0.00 O ATOM 972 CB ASN A 63 -7.612 1.638 7.507 1.00 0.00 C ATOM 973 CG ASN A 63 -6.086 1.613 7.491 1.00 0.00 C ATOM 974 OD1 ASN A 63 -5.440 2.471 6.899 1.00 0.00 O ATOM 975 ND2 ASN A 63 -5.504 0.675 8.195 1.00 0.00 N ATOM 0 H ASN A 63 -7.251 -0.587 5.289 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.365 0.880 6.501 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.942 2.676 7.556 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.958 1.150 8.418 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.487 0.645 8.262 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.068 -0.025 8.677 1.00 0.00 H new ATOM 982 N ARG A 64 -7.094 1.599 4.295 1.00 0.00 N ATOM 983 CA ARG A 64 -6.756 2.466 3.162 1.00 0.00 C ATOM 984 C ARG A 64 -5.966 1.738 2.149 1.00 0.00 C ATOM 985 O ARG A 64 -5.225 2.341 1.419 1.00 0.00 O ATOM 986 CB ARG A 64 -5.874 3.541 3.705 1.00 0.00 C ATOM 987 CG ARG A 64 -6.595 4.638 4.326 1.00 0.00 C ATOM 988 CD ARG A 64 -5.717 5.300 5.325 1.00 0.00 C ATOM 989 NE ARG A 64 -4.352 5.535 4.848 1.00 0.00 N ATOM 990 CZ ARG A 64 -3.247 5.184 5.501 1.00 0.00 C ATOM 991 NH1 ARG A 64 -3.316 4.364 6.554 1.00 0.00 N ATOM 992 NH2 ARG A 64 -2.083 5.607 5.072 1.00 0.00 N ATOM 0 H ARG A 64 -6.438 0.833 4.445 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.671 2.838 2.702 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.195 3.105 4.438 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.259 3.935 2.896 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.910 5.356 3.569 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.499 4.267 4.809 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.161 6.253 5.610 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.677 4.685 6.224 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.240 6.002 3.948 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.219 4.003 6.861 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.465 4.099 7.050 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.029 6.200 4.244 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.231 5.343 5.566 1.00 0.00 H new ATOM 1006 N LEU A 65 -6.134 0.469 2.075 1.00 0.00 N ATOM 1007 CA LEU A 65 -5.276 -0.322 1.238 1.00 0.00 C ATOM 1008 C LEU A 65 -6.117 -1.148 0.297 1.00 0.00 C ATOM 1009 O LEU A 65 -6.978 -1.899 0.720 1.00 0.00 O ATOM 1010 CB LEU A 65 -4.289 -1.166 2.106 1.00 0.00 C ATOM 1011 CG LEU A 65 -3.212 -0.387 2.901 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -2.463 0.648 2.027 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.791 0.261 4.140 1.00 0.00 C ATOM 0 H LEU A 65 -6.852 -0.053 2.577 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.649 0.322 0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.876 -1.752 2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.781 -1.874 1.451 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.475 -1.123 3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.720 1.166 2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.967 0.137 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.175 1.371 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.005 0.798 4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.577 0.959 3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.209 -0.507 4.791 1.00 0.00 H new ATOM 1025 N ARG A 66 -5.937 -0.937 -0.977 1.00 0.00 N ATOM 1026 CA ARG A 66 -6.728 -1.612 -1.970 1.00 0.00 C ATOM 1027 C ARG A 66 -5.856 -2.500 -2.859 1.00 0.00 C ATOM 1028 O ARG A 66 -4.765 -2.063 -3.358 1.00 0.00 O ATOM 1029 CB ARG A 66 -7.526 -0.600 -2.819 1.00 0.00 C ATOM 1030 CG ARG A 66 -8.544 -1.233 -3.758 1.00 0.00 C ATOM 1031 CD ARG A 66 -9.337 -0.197 -4.545 1.00 0.00 C ATOM 1032 NE ARG A 66 -8.520 0.546 -5.527 1.00 0.00 N ATOM 1033 CZ ARG A 66 -9.023 1.188 -6.600 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -10.336 1.217 -6.810 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -8.217 1.814 -7.445 1.00 0.00 N ATOM 0 H ARG A 66 -5.241 -0.295 -1.356 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.439 -2.254 -1.450 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.044 0.088 -2.151 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.827 -0.006 -3.408 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.029 -1.896 -4.453 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.232 -1.850 -3.180 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.154 -0.695 -5.066 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.787 0.511 -3.849 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.511 0.575 -5.384 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.967 0.752 -6.157 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.712 1.704 -7.624 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.210 1.812 -7.285 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.604 2.298 -8.255 1.00 0.00 H new ATOM 1049 N PRO A 67 -6.290 -3.769 -3.033 1.00 0.00 N ATOM 1050 CA PRO A 67 -5.644 -4.730 -3.906 1.00 0.00 C ATOM 1051 C PRO A 67 -5.931 -4.430 -5.371 1.00 0.00 C ATOM 1052 O PRO A 67 -6.713 -3.517 -5.694 1.00 0.00 O ATOM 1053 CB PRO A 67 -6.251 -6.068 -3.493 1.00 0.00 C ATOM 1054 CG PRO A 67 -7.595 -5.719 -2.988 1.00 0.00 C ATOM 1055 CD PRO A 67 -7.462 -4.366 -2.356 1.00 0.00 C ATOM 0 HA PRO A 67 -4.558 -4.712 -3.812 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.309 -6.756 -4.337 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.652 -6.556 -2.725 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.324 -5.701 -3.799 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.943 -6.455 -2.263 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.359 -3.765 -2.507 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.306 -4.442 -1.280 1.00 0.00 H new ATOM 1063 N LEU A 68 -5.285 -5.163 -6.244 1.00 0.00 N ATOM 1064 CA LEU A 68 -5.404 -4.949 -7.666 1.00 0.00 C ATOM 1065 C LEU A 68 -6.794 -5.288 -8.128 1.00 0.00 C ATOM 1066 O LEU A 68 -7.474 -6.124 -7.513 1.00 0.00 O ATOM 1067 CB LEU A 68 -4.357 -5.797 -8.417 1.00 0.00 C ATOM 1068 CG LEU A 68 -4.374 -5.753 -9.947 1.00 0.00 C ATOM 1069 CD1 LEU A 68 -4.062 -4.364 -10.446 1.00 0.00 C ATOM 1070 CD2 LEU A 68 -3.396 -6.758 -10.521 1.00 0.00 C ATOM 0 H LEU A 68 -4.660 -5.927 -5.988 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.218 -3.897 -7.884 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.368 -5.483 -8.083 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.482 -6.835 -8.109 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.376 -6.019 -10.284 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.080 -4.356 -11.536 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.807 -3.665 -10.066 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.073 -4.066 -10.097 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.423 -6.711 -11.610 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.390 -6.526 -10.173 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.671 -7.761 -10.194 1.00 0.00 H new ATOM 1082 N GLU A 69 -7.222 -4.627 -9.189 1.00 0.00 N ATOM 1083 CA GLU A 69 -8.500 -4.899 -9.824 1.00 0.00 C ATOM 1084 C GLU A 69 -8.613 -6.384 -10.195 1.00 0.00 C ATOM 1085 O GLU A 69 -9.700 -6.940 -10.199 1.00 0.00 O ATOM 1086 CB GLU A 69 -8.690 -3.997 -11.043 1.00 0.00 C ATOM 1087 CG GLU A 69 -7.554 -4.052 -12.051 1.00 0.00 C ATOM 1088 CD GLU A 69 -7.826 -3.174 -13.240 1.00 0.00 C ATOM 1089 OE1 GLU A 69 -8.456 -3.642 -14.199 1.00 0.00 O ATOM 1090 OE2 GLU A 69 -7.450 -1.988 -13.226 1.00 0.00 O ATOM 0 H GLU A 69 -6.689 -3.882 -9.637 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.300 -4.676 -9.118 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.617 -4.275 -11.544 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.808 -2.968 -10.703 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.626 -3.739 -11.572 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.411 -5.080 -12.383 1.00 0.00 H new ATOM 1097 N ARG A 70 -7.447 -6.993 -10.462 1.00 0.00 N ATOM 1098 CA ARG A 70 -7.283 -8.418 -10.726 1.00 0.00 C ATOM 1099 C ARG A 70 -8.013 -8.855 -11.994 1.00 0.00 C ATOM 1100 O ARG A 70 -9.241 -9.035 -11.994 1.00 0.00 O ATOM 1101 CB ARG A 70 -7.701 -9.274 -9.504 1.00 0.00 C ATOM 1102 CG ARG A 70 -7.549 -10.782 -9.695 1.00 0.00 C ATOM 1103 CD ARG A 70 -8.011 -11.555 -8.459 1.00 0.00 C ATOM 1104 NE ARG A 70 -7.185 -11.276 -7.271 1.00 0.00 N ATOM 1105 CZ ARG A 70 -7.599 -11.388 -5.985 1.00 0.00 C ATOM 1106 NH1 ARG A 70 -8.870 -11.700 -5.699 1.00 0.00 N ATOM 1107 NH2 ARG A 70 -6.736 -11.168 -4.991 1.00 0.00 N ATOM 0 H ARG A 70 -6.565 -6.482 -10.500 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.220 -8.589 -10.898 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.105 -8.969 -8.644 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.742 -9.056 -9.264 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.129 -11.100 -10.562 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.506 -11.020 -9.905 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.048 -11.300 -8.243 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.983 -12.623 -8.673 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.224 -10.974 -7.429 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.539 -11.856 -6.453 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.169 -11.781 -4.727 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.770 -10.917 -5.201 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.043 -11.251 -4.022 1.00 0.00 H new TER 1121 ARG A 70