USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 ASN : amide:sc= -2.69 K(o=-5.2,f=-5.8!) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -2.54! C(o=-5.2!,f=-9.5!) USER MOD Single : A 7 HIS : no HD1:sc= -1.24 X(o=-1.2,f=-1.4) USER MOD Single : A 10 GLN : amide:sc=-0.00962 K(o=-0.0096,f=-1.8!) USER MOD Single : A 12 MET CE :methyl 155:sc= 0 (180deg=-0.599) USER MOD Single : A 14 THR OG1 : rot 76:sc= 1.12 USER MOD Single : A 15 SER OG : rot -97:sc= 1.28 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.135 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= -0.0593 (180deg=-0.548) USER MOD Single : A 39 ASN :FLIP amide:sc= -2.39 F(o=-2.9!,f=-2.4) USER MOD Single : A 42 SER OG : rot -23:sc= 0.215 USER MOD Single : A 47 ASN : amide:sc= -7.06! C(o=-7.1!,f=-7.3!) USER MOD Single : A 50 HIS : no HD1:sc= -0.0784 K(o=-0.078,f=-0.72) USER MOD Single : A 54 SER OG : rot -72:sc= 1.16 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc=-0.00867 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot -149:sc= -2.59! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 110 N HIS A 7 -9.039 -14.127 5.407 1.00 0.00 N ATOM 111 CA HIS A 7 -8.598 -12.934 4.632 1.00 0.00 C ATOM 112 C HIS A 7 -7.103 -12.694 4.889 1.00 0.00 C ATOM 113 O HIS A 7 -6.740 -11.813 5.641 1.00 0.00 O ATOM 114 CB HIS A 7 -9.406 -11.710 5.082 1.00 0.00 C ATOM 115 CG HIS A 7 -9.390 -11.617 6.583 1.00 0.00 C ATOM 116 ND1 HIS A 7 -10.223 -12.385 7.379 1.00 0.00 N ATOM 117 CD2 HIS A 7 -8.652 -10.845 7.446 1.00 0.00 C ATOM 118 CE1 HIS A 7 -9.971 -12.062 8.661 1.00 0.00 C ATOM 119 NE2 HIS A 7 -9.021 -11.129 8.758 1.00 0.00 N ATOM 0 HA HIS A 7 -8.762 -13.100 3.567 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -8.984 -10.804 4.647 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.432 -11.788 4.724 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -7.900 -10.127 7.152 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -10.476 -12.504 9.508 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -8.646 -10.713 9.611 1.00 0.00 H new ATOM 127 N PRO A 8 -6.236 -13.472 4.270 1.00 0.00 N ATOM 128 CA PRO A 8 -4.761 -13.330 4.456 1.00 0.00 C ATOM 129 C PRO A 8 -4.263 -11.922 4.093 1.00 0.00 C ATOM 130 O PRO A 8 -4.747 -11.296 3.168 1.00 0.00 O ATOM 131 CB PRO A 8 -4.162 -14.400 3.508 1.00 0.00 C ATOM 132 CG PRO A 8 -5.273 -15.387 3.291 1.00 0.00 C ATOM 133 CD PRO A 8 -6.565 -14.567 3.338 1.00 0.00 C ATOM 0 HA PRO A 8 -4.465 -13.470 5.496 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.837 -13.957 2.567 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.289 -14.878 3.953 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.165 -15.894 2.332 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.269 -16.158 4.062 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.838 -14.189 2.353 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.406 -15.161 3.696 1.00 0.00 H new ATOM 141 N LEU A 9 -3.302 -11.425 4.818 1.00 0.00 N ATOM 142 CA LEU A 9 -2.772 -10.065 4.524 1.00 0.00 C ATOM 143 C LEU A 9 -2.130 -10.062 3.135 1.00 0.00 C ATOM 144 O LEU A 9 -2.289 -9.134 2.366 1.00 0.00 O ATOM 145 CB LEU A 9 -1.715 -9.693 5.574 1.00 0.00 C ATOM 146 CG LEU A 9 -2.268 -9.904 6.992 1.00 0.00 C ATOM 147 CD1 LEU A 9 -1.171 -9.551 8.007 1.00 0.00 C ATOM 148 CD2 LEU A 9 -3.508 -9.020 7.231 1.00 0.00 C ATOM 0 H LEU A 9 -2.859 -11.902 5.603 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.586 -9.341 4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.822 -10.302 5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.416 -8.653 5.445 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.567 -10.946 7.110 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.551 -9.696 9.018 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.307 -10.196 7.848 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.876 -8.510 7.876 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.883 -9.185 8.241 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.236 -7.971 7.112 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.283 -9.278 6.509 1.00 0.00 H new ATOM 160 N GLN A 10 -1.410 -11.097 2.806 1.00 0.00 N ATOM 161 CA GLN A 10 -0.755 -11.161 1.468 1.00 0.00 C ATOM 162 C GLN A 10 -1.822 -11.066 0.380 1.00 0.00 C ATOM 163 O GLN A 10 -1.633 -10.421 -0.629 1.00 0.00 O ATOM 164 CB GLN A 10 0.002 -12.487 1.335 1.00 0.00 C ATOM 165 CG GLN A 10 0.791 -12.508 0.022 1.00 0.00 C ATOM 166 CD GLN A 10 1.603 -13.804 -0.059 1.00 0.00 C ATOM 167 OE1 GLN A 10 1.821 -14.458 0.941 1.00 0.00 O ATOM 168 NE2 GLN A 10 2.059 -14.204 -1.213 1.00 0.00 N ATOM 0 H GLN A 10 -1.246 -11.905 3.407 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.054 -10.333 1.361 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.680 -12.615 2.179 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.700 -13.321 1.361 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.110 -12.438 -0.826 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.455 -11.645 -0.031 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.875 -13.654 -2.052 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.599 -15.067 -1.277 1.00 0.00 H new ATOM 177 N ASP A 11 -2.942 -11.702 0.577 1.00 0.00 N ATOM 178 CA ASP A 11 -4.016 -11.639 -0.449 1.00 0.00 C ATOM 179 C ASP A 11 -4.469 -10.187 -0.612 1.00 0.00 C ATOM 180 O ASP A 11 -4.669 -9.707 -1.712 1.00 0.00 O ATOM 181 CB ASP A 11 -5.203 -12.499 0.002 1.00 0.00 C ATOM 182 CG ASP A 11 -6.302 -12.473 -1.065 1.00 0.00 C ATOM 183 OD1 ASP A 11 -6.167 -11.718 -2.016 1.00 0.00 O ATOM 184 OD2 ASP A 11 -7.262 -13.210 -0.913 1.00 0.00 O ATOM 0 H ASP A 11 -3.159 -12.261 1.402 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.639 -12.014 -1.400 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.876 -13.524 0.174 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.594 -12.126 0.949 1.00 0.00 H new ATOM 189 N MET A 12 -4.641 -9.484 0.474 1.00 0.00 N ATOM 190 CA MET A 12 -5.091 -8.066 0.377 1.00 0.00 C ATOM 191 C MET A 12 -4.025 -7.228 -0.347 1.00 0.00 C ATOM 192 O MET A 12 -4.335 -6.457 -1.234 1.00 0.00 O ATOM 193 CB MET A 12 -5.305 -7.512 1.797 1.00 0.00 C ATOM 194 CG MET A 12 -6.602 -8.073 2.393 1.00 0.00 C ATOM 195 SD MET A 12 -6.797 -7.458 4.086 1.00 0.00 S ATOM 196 CE MET A 12 -8.577 -7.752 4.244 1.00 0.00 C ATOM 0 H MET A 12 -4.490 -9.829 1.422 1.00 0.00 H new ATOM 0 HA MET A 12 -6.023 -8.016 -0.185 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.459 -7.779 2.431 1.00 0.00 H new ATOM 0 HB3 MET A 12 -5.350 -6.423 1.768 1.00 0.00 H new ATOM 0 HG2 MET A 12 -7.455 -7.773 1.784 1.00 0.00 H new ATOM 0 HG3 MET A 12 -6.576 -9.163 2.390 1.00 0.00 H new ATOM 0 HE1 MET A 12 -8.834 -7.870 5.297 1.00 0.00 H new ATOM 0 HE2 MET A 12 -9.124 -6.905 3.830 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.846 -8.658 3.701 1.00 0.00 H new ATOM 206 N PHE A 13 -2.779 -7.371 0.022 1.00 0.00 N ATOM 207 CA PHE A 13 -1.709 -6.575 -0.654 1.00 0.00 C ATOM 208 C PHE A 13 -1.522 -7.068 -2.094 1.00 0.00 C ATOM 209 O PHE A 13 -1.396 -6.288 -3.014 1.00 0.00 O ATOM 210 CB PHE A 13 -0.385 -6.713 0.120 1.00 0.00 C ATOM 211 CG PHE A 13 -0.479 -5.985 1.456 1.00 0.00 C ATOM 212 CD1 PHE A 13 -0.603 -4.587 1.475 1.00 0.00 C ATOM 213 CD2 PHE A 13 -0.437 -6.694 2.668 1.00 0.00 C ATOM 214 CE1 PHE A 13 -0.689 -3.905 2.695 1.00 0.00 C ATOM 215 CE2 PHE A 13 -0.521 -6.009 3.885 1.00 0.00 C ATOM 216 CZ PHE A 13 -0.645 -4.615 3.900 1.00 0.00 C ATOM 0 H PHE A 13 -2.456 -8.000 0.757 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.005 -5.526 -0.672 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.161 -7.767 0.286 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.434 -6.302 -0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.632 -4.036 0.547 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.340 -7.770 2.660 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.789 -2.830 2.706 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.490 -6.557 4.815 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.707 -4.088 4.841 1.00 0.00 H new ATOM 226 N THR A 14 -1.491 -8.358 -2.292 1.00 0.00 N ATOM 227 CA THR A 14 -1.299 -8.896 -3.668 1.00 0.00 C ATOM 228 C THR A 14 -2.473 -8.487 -4.563 1.00 0.00 C ATOM 229 O THR A 14 -2.288 -8.027 -5.671 1.00 0.00 O ATOM 230 CB THR A 14 -1.206 -10.425 -3.595 1.00 0.00 C ATOM 231 OG1 THR A 14 -0.097 -10.788 -2.786 1.00 0.00 O ATOM 232 CG2 THR A 14 -1.023 -11.013 -4.997 1.00 0.00 C ATOM 0 H THR A 14 -1.590 -9.062 -1.560 1.00 0.00 H new ATOM 0 HA THR A 14 -0.381 -8.490 -4.094 1.00 0.00 H new ATOM 0 HB THR A 14 -2.127 -10.817 -3.164 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.324 -10.657 -1.842 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.958 -12.099 -4.930 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.873 -10.738 -5.621 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.107 -10.621 -5.439 1.00 0.00 H new ATOM 240 N SER A 15 -3.677 -8.654 -4.093 1.00 0.00 N ATOM 241 CA SER A 15 -4.858 -8.287 -4.924 1.00 0.00 C ATOM 242 C SER A 15 -4.900 -6.772 -5.140 1.00 0.00 C ATOM 243 O SER A 15 -5.221 -6.298 -6.213 1.00 0.00 O ATOM 244 CB SER A 15 -6.138 -8.729 -4.217 1.00 0.00 C ATOM 245 OG SER A 15 -6.214 -8.103 -2.941 1.00 0.00 O ATOM 0 H SER A 15 -3.895 -9.029 -3.170 1.00 0.00 H new ATOM 0 HA SER A 15 -4.778 -8.786 -5.890 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.008 -8.463 -4.817 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.148 -9.813 -4.104 1.00 0.00 H new ATOM 0 HG SER A 15 -5.883 -8.719 -2.254 1.00 0.00 H new ATOM 251 N ALA A 16 -4.593 -6.005 -4.130 1.00 0.00 N ATOM 252 CA ALA A 16 -4.631 -4.522 -4.279 1.00 0.00 C ATOM 253 C ALA A 16 -3.452 -4.035 -5.128 1.00 0.00 C ATOM 254 O ALA A 16 -3.620 -3.259 -6.045 1.00 0.00 O ATOM 255 CB ALA A 16 -4.554 -3.877 -2.895 1.00 0.00 C ATOM 0 H ALA A 16 -4.317 -6.341 -3.207 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.560 -4.242 -4.775 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.581 -2.792 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.401 -4.206 -2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.625 -4.172 -2.407 1.00 0.00 H new ATOM 261 N ILE A 17 -2.261 -4.470 -4.824 1.00 0.00 N ATOM 262 CA ILE A 17 -1.078 -4.008 -5.605 1.00 0.00 C ATOM 263 C ILE A 17 -1.223 -4.461 -7.062 1.00 0.00 C ATOM 264 O ILE A 17 -0.975 -3.707 -7.979 1.00 0.00 O ATOM 265 CB ILE A 17 0.195 -4.614 -4.985 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.407 -4.018 -3.578 1.00 0.00 C ATOM 267 CG2 ILE A 17 1.422 -4.299 -5.868 1.00 0.00 C ATOM 268 CD1 ILE A 17 1.467 -4.827 -2.827 1.00 0.00 C ATOM 0 H ILE A 17 -2.055 -5.125 -4.069 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.011 -2.920 -5.579 1.00 0.00 H new ATOM 0 HB ILE A 17 0.079 -5.696 -4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.720 -2.977 -3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.531 -4.028 -3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.315 -4.733 -5.418 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.274 -4.722 -6.861 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.545 -3.219 -5.948 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.613 -4.402 -1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.137 -5.862 -2.734 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.407 -4.794 -3.377 1.00 0.00 H new ATOM 280 N GLU A 18 -1.615 -5.683 -7.274 1.00 0.00 N ATOM 281 CA GLU A 18 -1.766 -6.186 -8.669 1.00 0.00 C ATOM 282 C GLU A 18 -2.916 -5.450 -9.373 1.00 0.00 C ATOM 283 O GLU A 18 -2.878 -5.224 -10.565 1.00 0.00 O ATOM 284 CB GLU A 18 -2.057 -7.688 -8.635 1.00 0.00 C ATOM 285 CG GLU A 18 -2.046 -8.253 -10.059 1.00 0.00 C ATOM 286 CD GLU A 18 -2.256 -9.770 -10.016 1.00 0.00 C ATOM 287 OE1 GLU A 18 -2.109 -10.340 -8.946 1.00 0.00 O ATOM 288 OE2 GLU A 18 -2.555 -10.336 -11.055 1.00 0.00 O ATOM 0 H GLU A 18 -1.838 -6.358 -6.543 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.843 -6.004 -9.220 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.311 -8.198 -8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.026 -7.869 -8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.831 -7.784 -10.652 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.098 -8.021 -10.545 1.00 0.00 H new ATOM 295 N ALA A 19 -3.942 -5.088 -8.649 1.00 0.00 N ATOM 296 CA ALA A 19 -5.096 -4.385 -9.287 1.00 0.00 C ATOM 297 C ALA A 19 -4.673 -2.997 -9.777 1.00 0.00 C ATOM 298 O ALA A 19 -4.774 -2.691 -10.950 1.00 0.00 O ATOM 299 CB ALA A 19 -6.224 -4.238 -8.266 1.00 0.00 C ATOM 0 H ALA A 19 -4.032 -5.248 -7.646 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.438 -4.971 -10.140 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.068 -3.725 -8.728 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.540 -5.225 -7.928 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.870 -3.659 -7.413 1.00 0.00 H new ATOM 305 N VAL A 20 -4.199 -2.153 -8.890 1.00 0.00 N ATOM 306 CA VAL A 20 -3.768 -0.772 -9.296 1.00 0.00 C ATOM 307 C VAL A 20 -2.251 -0.746 -9.481 1.00 0.00 C ATOM 308 O VAL A 20 -1.617 0.270 -9.277 1.00 0.00 O ATOM 309 CB VAL A 20 -4.177 0.247 -8.214 1.00 0.00 C ATOM 310 CG1 VAL A 20 -5.701 0.443 -8.230 1.00 0.00 C ATOM 311 CG2 VAL A 20 -3.747 -0.251 -6.827 1.00 0.00 C ATOM 0 H VAL A 20 -4.091 -2.361 -7.897 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.254 -0.506 -10.235 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.683 1.196 -8.425 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.983 1.164 -7.463 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.010 0.813 -9.208 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.192 -0.509 -8.031 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.041 0.477 -6.071 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.229 -1.206 -6.618 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.665 -0.379 -6.806 1.00 0.00 H new ATOM 321 N ALA A 21 -1.652 -1.854 -9.859 1.00 0.00 N ATOM 322 CA ALA A 21 -0.165 -1.882 -10.048 1.00 0.00 C ATOM 323 C ALA A 21 0.269 -0.687 -10.911 1.00 0.00 C ATOM 324 O ALA A 21 1.331 -0.129 -10.726 1.00 0.00 O ATOM 325 CB ALA A 21 0.232 -3.183 -10.757 1.00 0.00 C ATOM 0 H ALA A 21 -2.128 -2.737 -10.044 1.00 0.00 H new ATOM 0 HA ALA A 21 0.323 -1.826 -9.075 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.313 -3.206 -10.896 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.075 -4.036 -10.151 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.260 -3.233 -11.728 1.00 0.00 H new ATOM 331 N ARG A 22 -0.554 -0.291 -11.838 1.00 0.00 N ATOM 332 CA ARG A 22 -0.216 0.868 -12.710 1.00 0.00 C ATOM 333 C ARG A 22 1.176 0.684 -13.340 1.00 0.00 C ATOM 334 O ARG A 22 1.301 0.170 -14.436 1.00 0.00 O ATOM 335 CB ARG A 22 -0.288 2.174 -11.879 1.00 0.00 C ATOM 336 CG ARG A 22 0.157 3.365 -12.761 1.00 0.00 C ATOM 337 CD ARG A 22 -0.380 4.723 -12.237 1.00 0.00 C ATOM 338 NE ARG A 22 0.210 5.196 -10.930 1.00 0.00 N ATOM 339 CZ ARG A 22 1.460 5.576 -10.839 1.00 0.00 C ATOM 340 NH1 ARG A 22 2.403 4.985 -11.502 1.00 0.00 N ATOM 341 NH2 ARG A 22 1.801 6.475 -9.962 1.00 0.00 N ATOM 0 H ARG A 22 -1.457 -0.725 -12.032 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.938 0.931 -13.525 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.304 2.333 -11.518 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.354 2.096 -11.001 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.246 3.398 -12.799 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.193 3.208 -13.781 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.195 5.484 -12.995 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.461 4.646 -12.120 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.379 5.220 -10.098 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.181 4.201 -12.115 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.368 5.304 -11.411 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.095 6.882 -9.348 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.774 6.773 -9.889 1.00 0.00 H new ATOM 355 N ASP A 23 2.214 1.100 -12.675 1.00 0.00 N ATOM 356 CA ASP A 23 3.576 0.947 -13.261 1.00 0.00 C ATOM 357 C ASP A 23 3.881 -0.537 -13.498 1.00 0.00 C ATOM 358 O ASP A 23 3.635 -1.068 -14.561 1.00 0.00 O ATOM 359 CB ASP A 23 4.608 1.526 -12.292 1.00 0.00 C ATOM 360 CG ASP A 23 4.433 3.045 -12.199 1.00 0.00 C ATOM 361 OD1 ASP A 23 3.776 3.605 -13.062 1.00 0.00 O ATOM 362 OD2 ASP A 23 4.959 3.623 -11.262 1.00 0.00 O ATOM 0 H ASP A 23 2.181 1.538 -11.754 1.00 0.00 H new ATOM 0 HA ASP A 23 3.620 1.478 -14.212 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.489 1.075 -11.307 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.615 1.286 -12.632 1.00 0.00 H new ATOM 367 N SER A 24 4.422 -1.210 -12.516 1.00 0.00 N ATOM 368 CA SER A 24 4.750 -2.656 -12.686 1.00 0.00 C ATOM 369 C SER A 24 5.083 -3.264 -11.323 1.00 0.00 C ATOM 370 O SER A 24 6.187 -3.147 -10.832 1.00 0.00 O ATOM 371 CB SER A 24 5.954 -2.802 -13.616 1.00 0.00 C ATOM 372 OG SER A 24 6.334 -4.170 -13.683 1.00 0.00 O ATOM 0 H SER A 24 4.651 -0.819 -11.602 1.00 0.00 H new ATOM 0 HA SER A 24 3.894 -3.174 -13.118 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.706 -2.433 -14.611 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.785 -2.199 -13.250 1.00 0.00 H new ATOM 0 HG SER A 24 7.105 -4.266 -14.280 1.00 0.00 H new ATOM 378 N GLY A 25 4.133 -3.913 -10.708 1.00 0.00 N ATOM 379 CA GLY A 25 4.384 -4.529 -9.372 1.00 0.00 C ATOM 380 C GLY A 25 4.330 -3.446 -8.293 1.00 0.00 C ATOM 381 O GLY A 25 4.041 -3.719 -7.145 1.00 0.00 O ATOM 0 H GLY A 25 3.190 -4.044 -11.074 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.639 -5.298 -9.168 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.358 -5.019 -9.363 1.00 0.00 H new ATOM 385 N TRP A 26 4.602 -2.216 -8.650 1.00 0.00 N ATOM 386 CA TRP A 26 4.568 -1.106 -7.643 1.00 0.00 C ATOM 387 C TRP A 26 3.173 -0.478 -7.618 1.00 0.00 C ATOM 388 O TRP A 26 2.527 -0.337 -8.637 1.00 0.00 O ATOM 389 CB TRP A 26 5.592 -0.035 -8.043 1.00 0.00 C ATOM 390 CG TRP A 26 6.982 -0.580 -7.903 1.00 0.00 C ATOM 391 CD1 TRP A 26 7.787 -0.943 -8.929 1.00 0.00 C ATOM 392 CD2 TRP A 26 7.737 -0.829 -6.684 1.00 0.00 C ATOM 393 NE1 TRP A 26 8.990 -1.397 -8.414 1.00 0.00 N ATOM 394 CE2 TRP A 26 9.006 -1.346 -7.035 1.00 0.00 C ATOM 395 CE3 TRP A 26 7.444 -0.658 -5.321 1.00 0.00 C ATOM 396 CZ2 TRP A 26 9.953 -1.680 -6.065 1.00 0.00 C ATOM 397 CZ3 TRP A 26 8.393 -0.992 -4.342 1.00 0.00 C ATOM 398 CH2 TRP A 26 9.644 -1.503 -4.712 1.00 0.00 C ATOM 0 H TRP A 26 4.847 -1.930 -9.598 1.00 0.00 H new ATOM 0 HA TRP A 26 4.807 -1.502 -6.656 1.00 0.00 H new ATOM 0 HB2 TRP A 26 5.418 0.281 -9.072 1.00 0.00 H new ATOM 0 HB3 TRP A 26 5.473 0.847 -7.414 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.533 -0.888 -9.977 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.768 -1.728 -8.984 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.482 -0.267 -5.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.916 -2.072 -6.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.157 -0.854 -3.297 1.00 0.00 H new ATOM 0 HH2 TRP A 26 10.369 -1.760 -3.954 1.00 0.00 H new ATOM 409 N ALA A 27 2.703 -0.096 -6.455 1.00 0.00 N ATOM 410 CA ALA A 27 1.350 0.533 -6.339 1.00 0.00 C ATOM 411 C ALA A 27 1.392 1.603 -5.248 1.00 0.00 C ATOM 412 O ALA A 27 2.039 1.444 -4.234 1.00 0.00 O ATOM 413 CB ALA A 27 0.325 -0.540 -5.958 1.00 0.00 C ATOM 0 H ALA A 27 3.205 -0.194 -5.572 1.00 0.00 H new ATOM 0 HA ALA A 27 1.068 0.985 -7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.662 -0.086 -5.872 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.304 -1.312 -6.727 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.603 -0.986 -5.003 1.00 0.00 H new ATOM 419 N GLU A 28 0.716 2.703 -5.457 1.00 0.00 N ATOM 420 CA GLU A 28 0.725 3.789 -4.442 1.00 0.00 C ATOM 421 C GLU A 28 -0.006 3.322 -3.178 1.00 0.00 C ATOM 422 O GLU A 28 -1.102 2.799 -3.242 1.00 0.00 O ATOM 423 CB GLU A 28 0.016 5.020 -5.012 1.00 0.00 C ATOM 424 CG GLU A 28 0.743 5.501 -6.277 1.00 0.00 C ATOM 425 CD GLU A 28 2.143 6.008 -5.918 1.00 0.00 C ATOM 426 OE1 GLU A 28 2.364 6.314 -4.758 1.00 0.00 O ATOM 427 OE2 GLU A 28 2.970 6.087 -6.813 1.00 0.00 O ATOM 0 H GLU A 28 0.158 2.893 -6.290 1.00 0.00 H new ATOM 0 HA GLU A 28 1.755 4.041 -4.191 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.020 4.778 -5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.004 5.816 -4.268 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.816 4.685 -6.996 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.171 6.296 -6.755 1.00 0.00 H new ATOM 434 N LEU A 29 0.601 3.493 -2.031 1.00 0.00 N ATOM 435 CA LEU A 29 -0.038 3.041 -0.757 1.00 0.00 C ATOM 436 C LEU A 29 -1.421 3.688 -0.629 1.00 0.00 C ATOM 437 O LEU A 29 -2.369 3.056 -0.201 1.00 0.00 O ATOM 438 CB LEU A 29 0.847 3.470 0.431 1.00 0.00 C ATOM 439 CG LEU A 29 0.251 3.008 1.781 1.00 0.00 C ATOM 440 CD1 LEU A 29 0.195 1.467 1.864 1.00 0.00 C ATOM 441 CD2 LEU A 29 1.129 3.560 2.914 1.00 0.00 C ATOM 0 H LEU A 29 1.517 3.929 -1.921 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.145 1.956 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.846 3.051 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.955 4.555 0.432 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.768 3.384 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.228 1.169 2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.428 1.082 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.202 1.061 1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.724 3.244 3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.145 3.179 2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.143 4.649 2.866 1.00 0.00 H new ATOM 453 N SER A 30 -1.553 4.929 -1.002 1.00 0.00 N ATOM 454 CA SER A 30 -2.884 5.592 -0.898 1.00 0.00 C ATOM 455 C SER A 30 -3.902 4.808 -1.728 1.00 0.00 C ATOM 456 O SER A 30 -5.010 4.556 -1.297 1.00 0.00 O ATOM 457 CB SER A 30 -2.780 7.019 -1.436 1.00 0.00 C ATOM 458 OG SER A 30 -4.086 7.536 -1.651 1.00 0.00 O ATOM 0 H SER A 30 -0.802 5.512 -1.373 1.00 0.00 H new ATOM 0 HA SER A 30 -3.203 5.618 0.144 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.239 7.648 -0.729 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.215 7.028 -2.368 1.00 0.00 H new ATOM 0 HG SER A 30 -4.023 8.452 -1.995 1.00 0.00 H new ATOM 464 N ALA A 31 -3.533 4.411 -2.915 1.00 0.00 N ATOM 465 CA ALA A 31 -4.478 3.637 -3.768 1.00 0.00 C ATOM 466 C ALA A 31 -4.788 2.292 -3.105 1.00 0.00 C ATOM 467 O ALA A 31 -5.896 1.802 -3.166 1.00 0.00 O ATOM 468 CB ALA A 31 -3.846 3.389 -5.138 1.00 0.00 C ATOM 0 H ALA A 31 -2.619 4.589 -3.331 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.400 4.206 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.538 2.823 -5.761 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.626 4.344 -5.615 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.922 2.823 -5.016 1.00 0.00 H new ATOM 474 N VAL A 32 -3.815 1.685 -2.476 1.00 0.00 N ATOM 475 CA VAL A 32 -4.058 0.368 -1.818 1.00 0.00 C ATOM 476 C VAL A 32 -5.110 0.536 -0.717 1.00 0.00 C ATOM 477 O VAL A 32 -6.057 -0.221 -0.629 1.00 0.00 O ATOM 478 CB VAL A 32 -2.735 -0.131 -1.212 1.00 0.00 C ATOM 479 CG1 VAL A 32 -2.963 -1.431 -0.420 1.00 0.00 C ATOM 480 CG2 VAL A 32 -1.723 -0.385 -2.340 1.00 0.00 C ATOM 0 H VAL A 32 -2.864 2.044 -2.390 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.423 -0.356 -2.546 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.348 0.628 -0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.017 -1.771 0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.674 -1.247 0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.359 -2.198 -1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.784 -0.739 -1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.119 -1.138 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.547 0.542 -2.886 1.00 0.00 H new ATOM 490 N GLY A 33 -4.946 1.514 0.132 1.00 0.00 N ATOM 491 CA GLY A 33 -5.930 1.711 1.233 1.00 0.00 C ATOM 492 C GLY A 33 -7.320 1.975 0.646 1.00 0.00 C ATOM 493 O GLY A 33 -8.307 1.428 1.095 1.00 0.00 O ATOM 0 H GLY A 33 -4.176 2.183 0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.957 0.828 1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.625 2.549 1.860 1.00 0.00 H new ATOM 497 N SER A 34 -7.407 2.809 -0.355 1.00 0.00 N ATOM 498 CA SER A 34 -8.736 3.100 -0.967 1.00 0.00 C ATOM 499 C SER A 34 -9.241 1.867 -1.721 1.00 0.00 C ATOM 500 O SER A 34 -10.411 1.542 -1.688 1.00 0.00 O ATOM 501 CB SER A 34 -8.603 4.271 -1.939 1.00 0.00 C ATOM 502 OG SER A 34 -7.654 3.939 -2.946 1.00 0.00 O ATOM 0 H SER A 34 -6.618 3.300 -0.775 1.00 0.00 H new ATOM 0 HA SER A 34 -9.446 3.356 -0.180 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.569 4.494 -2.392 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.286 5.167 -1.406 1.00 0.00 H new ATOM 0 HG SER A 34 -7.567 4.687 -3.573 1.00 0.00 H new ATOM 508 N TYR A 35 -8.369 1.186 -2.411 1.00 0.00 N ATOM 509 CA TYR A 35 -8.798 -0.018 -3.181 1.00 0.00 C ATOM 510 C TYR A 35 -9.357 -1.070 -2.221 1.00 0.00 C ATOM 511 O TYR A 35 -10.418 -1.624 -2.439 1.00 0.00 O ATOM 512 CB TYR A 35 -7.591 -0.598 -3.929 1.00 0.00 C ATOM 513 CG TYR A 35 -8.003 -1.847 -4.689 1.00 0.00 C ATOM 514 CD1 TYR A 35 -8.499 -1.743 -5.996 1.00 0.00 C ATOM 515 CD2 TYR A 35 -7.893 -3.109 -4.084 1.00 0.00 C ATOM 516 CE1 TYR A 35 -8.881 -2.893 -6.695 1.00 0.00 C ATOM 517 CE2 TYR A 35 -8.276 -4.258 -4.785 1.00 0.00 C ATOM 518 CZ TYR A 35 -8.770 -4.150 -6.091 1.00 0.00 C ATOM 519 OH TYR A 35 -9.148 -5.284 -6.782 1.00 0.00 O ATOM 0 H TYR A 35 -7.376 1.410 -2.476 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.571 0.264 -3.896 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.191 0.143 -4.621 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.796 -0.837 -3.223 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.586 -0.774 -6.464 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.512 -3.193 -3.077 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.262 -2.810 -7.702 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.191 -5.228 -4.319 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.006 -6.073 -6.218 1.00 0.00 H new ATOM 529 N LEU A 36 -8.650 -1.355 -1.162 1.00 0.00 N ATOM 530 CA LEU A 36 -9.137 -2.376 -0.195 1.00 0.00 C ATOM 531 C LEU A 36 -10.451 -1.891 0.420 1.00 0.00 C ATOM 532 O LEU A 36 -11.386 -2.647 0.580 1.00 0.00 O ATOM 533 CB LEU A 36 -8.087 -2.569 0.907 1.00 0.00 C ATOM 534 CG LEU A 36 -6.797 -3.194 0.327 1.00 0.00 C ATOM 535 CD1 LEU A 36 -5.682 -3.110 1.379 1.00 0.00 C ATOM 536 CD2 LEU A 36 -7.022 -4.673 -0.068 1.00 0.00 C ATOM 0 H LEU A 36 -7.756 -0.924 -0.925 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.302 -3.326 -0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.856 -1.609 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.488 -3.212 1.691 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.515 -2.641 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.769 -3.549 0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.501 -2.066 1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.984 -3.655 2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.098 -5.086 -0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.320 -5.243 0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.807 -4.733 -0.822 1.00 0.00 H new ATOM 548 N ALA A 37 -10.531 -0.633 0.761 1.00 0.00 N ATOM 549 CA ALA A 37 -11.792 -0.112 1.362 1.00 0.00 C ATOM 550 C ALA A 37 -12.948 -0.351 0.386 1.00 0.00 C ATOM 551 O ALA A 37 -14.026 -0.760 0.772 1.00 0.00 O ATOM 552 CB ALA A 37 -11.652 1.388 1.623 1.00 0.00 C ATOM 0 H ALA A 37 -9.783 0.052 0.650 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.990 -0.626 2.303 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.574 1.768 2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.824 1.562 2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.458 1.904 0.683 1.00 0.00 H new ATOM 558 N LYS A 38 -12.728 -0.106 -0.874 1.00 0.00 N ATOM 559 CA LYS A 38 -13.808 -0.323 -1.879 1.00 0.00 C ATOM 560 C LYS A 38 -14.148 -1.816 -1.946 1.00 0.00 C ATOM 561 O LYS A 38 -15.300 -2.198 -2.009 1.00 0.00 O ATOM 562 CB LYS A 38 -13.324 0.162 -3.249 1.00 0.00 C ATOM 563 CG LYS A 38 -14.465 0.079 -4.262 1.00 0.00 C ATOM 564 CD LYS A 38 -13.991 0.634 -5.607 1.00 0.00 C ATOM 565 CE LYS A 38 -15.136 0.571 -6.618 1.00 0.00 C ATOM 566 NZ LYS A 38 -16.251 1.446 -6.162 1.00 0.00 N ATOM 0 H LYS A 38 -11.845 0.236 -1.254 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.699 0.235 -1.591 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.965 1.189 -3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.484 -0.446 -3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.790 -0.955 -4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.325 0.645 -3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.653 1.663 -5.489 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.139 0.058 -5.970 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.786 0.891 -7.599 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.486 -0.456 -6.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.865 1.676 -6.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.806 0.951 -5.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.862 2.324 -5.762 1.00 0.00 H new ATOM 580 N ASN A 39 -13.151 -2.666 -1.941 1.00 0.00 N ATOM 581 CA ASN A 39 -13.404 -4.141 -2.010 1.00 0.00 C ATOM 582 C ASN A 39 -13.675 -4.675 -0.603 1.00 0.00 C ATOM 583 O ASN A 39 -13.992 -5.833 -0.417 1.00 0.00 O ATOM 584 CB ASN A 39 -12.170 -4.840 -2.587 1.00 0.00 C ATOM 585 CG ASN A 39 -11.985 -4.423 -4.048 1.00 0.00 C ATOM 586 OD1 ASN A 39 -10.962 -3.684 -4.378 1.00 0.00 O flip ATOM 587 ND2 ASN A 39 -12.779 -4.778 -4.898 1.00 0.00 N flip ATOM 0 H ASN A 39 -12.167 -2.401 -1.892 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.267 -4.334 -2.647 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.285 -4.577 -2.007 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.286 -5.922 -2.518 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.579 -5.356 -4.639 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.645 -4.498 -5.870 1.00 0.00 H new ATOM 594 N ASP A 40 -13.555 -3.837 0.391 1.00 0.00 N ATOM 595 CA ASP A 40 -13.807 -4.278 1.796 1.00 0.00 C ATOM 596 C ASP A 40 -14.215 -3.061 2.632 1.00 0.00 C ATOM 597 O ASP A 40 -13.440 -2.566 3.428 1.00 0.00 O ATOM 598 CB ASP A 40 -12.528 -4.893 2.375 1.00 0.00 C ATOM 599 CG ASP A 40 -12.063 -6.045 1.481 1.00 0.00 C ATOM 600 OD1 ASP A 40 -11.323 -5.785 0.548 1.00 0.00 O ATOM 601 OD2 ASP A 40 -12.451 -7.171 1.752 1.00 0.00 O ATOM 0 H ASP A 40 -13.291 -2.857 0.290 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.603 -5.022 1.814 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.747 -4.135 2.445 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.712 -5.255 3.386 1.00 0.00 H new ATOM 606 N PRO A 41 -15.426 -2.579 2.458 1.00 0.00 N ATOM 607 CA PRO A 41 -15.933 -1.396 3.217 1.00 0.00 C ATOM 608 C PRO A 41 -15.785 -1.600 4.730 1.00 0.00 C ATOM 609 O PRO A 41 -15.514 -0.674 5.469 1.00 0.00 O ATOM 610 CB PRO A 41 -17.419 -1.306 2.805 1.00 0.00 C ATOM 611 CG PRO A 41 -17.486 -1.981 1.467 1.00 0.00 C ATOM 612 CD PRO A 41 -16.442 -3.102 1.520 1.00 0.00 C ATOM 0 HA PRO A 41 -15.379 -0.484 2.994 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -18.062 -1.803 3.532 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -17.750 -0.269 2.742 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -18.482 -2.381 1.279 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -17.267 -1.279 0.662 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -16.874 -4.037 1.876 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -16.016 -3.302 0.537 1.00 0.00 H new ATOM 620 N SER A 42 -15.956 -2.811 5.184 1.00 0.00 N ATOM 621 CA SER A 42 -15.827 -3.095 6.638 1.00 0.00 C ATOM 622 C SER A 42 -14.382 -2.853 7.072 1.00 0.00 C ATOM 623 O SER A 42 -14.077 -2.803 8.246 1.00 0.00 O ATOM 624 CB SER A 42 -16.200 -4.554 6.893 1.00 0.00 C ATOM 625 OG SER A 42 -16.155 -4.812 8.288 1.00 0.00 O ATOM 0 H SER A 42 -16.181 -3.620 4.605 1.00 0.00 H new ATOM 0 HA SER A 42 -16.490 -2.442 7.206 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.198 -4.759 6.505 1.00 0.00 H new ATOM 0 HB3 SER A 42 -15.511 -5.215 6.367 1.00 0.00 H new ATOM 0 HG SER A 42 -15.566 -4.160 8.722 1.00 0.00 H new ATOM 631 N PHE A 43 -13.489 -2.705 6.133 1.00 0.00 N ATOM 632 CA PHE A 43 -12.067 -2.465 6.500 1.00 0.00 C ATOM 633 C PHE A 43 -11.965 -1.120 7.224 1.00 0.00 C ATOM 634 O PHE A 43 -12.569 -0.145 6.823 1.00 0.00 O ATOM 635 CB PHE A 43 -11.197 -2.453 5.233 1.00 0.00 C ATOM 636 CG PHE A 43 -9.727 -2.498 5.620 1.00 0.00 C ATOM 637 CD1 PHE A 43 -9.194 -3.683 6.147 1.00 0.00 C ATOM 638 CD2 PHE A 43 -8.899 -1.377 5.449 1.00 0.00 C ATOM 639 CE1 PHE A 43 -7.846 -3.746 6.511 1.00 0.00 C ATOM 640 CE2 PHE A 43 -7.547 -1.445 5.816 1.00 0.00 C ATOM 641 CZ PHE A 43 -7.021 -2.629 6.342 1.00 0.00 C ATOM 0 H PHE A 43 -13.682 -2.740 5.132 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.713 -3.260 7.156 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.443 -3.308 4.603 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.402 -1.556 4.648 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.827 -4.549 6.272 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.302 -0.464 5.036 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.441 -4.658 6.923 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.911 -0.581 5.692 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.978 -2.681 6.618 1.00 0.00 H new ATOM 651 N ASP A 44 -11.214 -1.076 8.300 1.00 0.00 N ATOM 652 CA ASP A 44 -11.052 0.184 9.101 1.00 0.00 C ATOM 653 C ASP A 44 -9.562 0.578 9.138 1.00 0.00 C ATOM 654 O ASP A 44 -8.841 0.129 10.008 1.00 0.00 O ATOM 655 CB ASP A 44 -11.519 -0.097 10.535 1.00 0.00 C ATOM 656 CG ASP A 44 -13.040 -0.268 10.565 1.00 0.00 C ATOM 657 OD1 ASP A 44 -13.716 0.533 9.943 1.00 0.00 O ATOM 658 OD2 ASP A 44 -13.500 -1.194 11.216 1.00 0.00 O ATOM 0 H ASP A 44 -10.696 -1.875 8.665 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.634 0.990 8.654 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.036 -0.998 10.914 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.224 0.723 11.190 1.00 0.00 H new ATOM 663 N PRO A 45 -9.086 1.404 8.226 1.00 0.00 N ATOM 664 CA PRO A 45 -7.654 1.815 8.230 1.00 0.00 C ATOM 665 C PRO A 45 -7.355 2.799 9.368 1.00 0.00 C ATOM 666 O PRO A 45 -6.218 3.125 9.638 1.00 0.00 O ATOM 667 CB PRO A 45 -7.429 2.452 6.840 1.00 0.00 C ATOM 668 CG PRO A 45 -8.792 2.874 6.349 1.00 0.00 C ATOM 669 CD PRO A 45 -9.840 2.027 7.109 1.00 0.00 C ATOM 0 HA PRO A 45 -6.983 0.974 8.403 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.757 3.307 6.907 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.971 1.740 6.154 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -8.953 3.937 6.530 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.878 2.717 5.274 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.656 2.647 7.480 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.283 1.271 6.461 1.00 0.00 H new ATOM 677 N ARG A 46 -8.369 3.259 10.040 1.00 0.00 N ATOM 678 CA ARG A 46 -8.152 4.211 11.165 1.00 0.00 C ATOM 679 C ARG A 46 -7.421 3.474 12.289 1.00 0.00 C ATOM 680 O ARG A 46 -6.510 3.993 12.896 1.00 0.00 O ATOM 681 CB ARG A 46 -9.515 4.747 11.649 1.00 0.00 C ATOM 682 CG ARG A 46 -10.049 5.796 10.650 1.00 0.00 C ATOM 683 CD ARG A 46 -10.104 5.202 9.223 1.00 0.00 C ATOM 684 NE ARG A 46 -10.878 6.043 8.244 1.00 0.00 N ATOM 685 CZ ARG A 46 -10.483 7.253 7.917 1.00 0.00 C ATOM 686 NH1 ARG A 46 -9.830 8.004 8.751 1.00 0.00 N ATOM 687 NH2 ARG A 46 -10.845 7.759 6.775 1.00 0.00 N ATOM 0 H ARG A 46 -9.343 3.017 9.860 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.547 5.059 10.844 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.226 3.926 11.743 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.410 5.193 12.638 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.044 6.123 10.953 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.407 6.677 10.660 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.087 5.075 8.853 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.553 4.210 9.270 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.728 5.666 7.825 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.612 7.658 9.686 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.535 8.940 8.472 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.432 7.217 6.140 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.542 8.698 6.514 1.00 0.00 H new ATOM 701 N ASN A 47 -7.814 2.258 12.556 1.00 0.00 N ATOM 702 CA ASN A 47 -7.139 1.479 13.629 1.00 0.00 C ATOM 703 C ASN A 47 -5.726 1.097 13.174 1.00 0.00 C ATOM 704 O ASN A 47 -4.872 0.822 13.982 1.00 0.00 O ATOM 705 CB ASN A 47 -7.946 0.214 13.946 1.00 0.00 C ATOM 706 CG ASN A 47 -7.884 -0.770 12.771 1.00 0.00 C ATOM 707 OD1 ASN A 47 -6.822 -1.220 12.393 1.00 0.00 O ATOM 708 ND2 ASN A 47 -8.987 -1.126 12.178 1.00 0.00 N ATOM 0 H ASN A 47 -8.572 1.772 12.077 1.00 0.00 H new ATOM 0 HA ASN A 47 -7.075 2.090 14.529 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -7.553 -0.259 14.846 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -8.983 0.479 14.152 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -8.958 -1.782 11.397 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -9.881 -0.749 12.494 1.00 0.00 H new ATOM 715 N TRP A 48 -5.474 1.074 11.885 1.00 0.00 N ATOM 716 CA TRP A 48 -4.110 0.703 11.378 1.00 0.00 C ATOM 717 C TRP A 48 -3.287 1.977 11.176 1.00 0.00 C ATOM 718 O TRP A 48 -2.163 1.936 10.719 1.00 0.00 O ATOM 719 CB TRP A 48 -4.244 -0.046 10.043 1.00 0.00 C ATOM 720 CG TRP A 48 -4.850 -1.399 10.281 1.00 0.00 C ATOM 721 CD1 TRP A 48 -6.078 -1.797 9.867 1.00 0.00 C ATOM 722 CD2 TRP A 48 -4.275 -2.534 10.991 1.00 0.00 C ATOM 723 NE1 TRP A 48 -6.287 -3.101 10.272 1.00 0.00 N ATOM 724 CE2 TRP A 48 -5.205 -3.600 10.968 1.00 0.00 C ATOM 725 CE3 TRP A 48 -3.047 -2.740 11.644 1.00 0.00 C ATOM 726 CZ2 TRP A 48 -4.927 -4.826 11.571 1.00 0.00 C ATOM 727 CZ3 TRP A 48 -2.764 -3.976 12.252 1.00 0.00 C ATOM 728 CH2 TRP A 48 -3.703 -5.016 12.216 1.00 0.00 C ATOM 0 H TRP A 48 -6.156 1.297 11.160 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.611 0.057 12.101 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.866 0.526 9.355 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.266 -0.152 9.575 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.779 -1.193 9.311 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.137 -3.630 10.080 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.317 -1.945 11.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -5.654 -5.624 11.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.817 -4.125 12.750 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -3.480 -5.962 12.686 1.00 0.00 H new ATOM 739 N GLY A 49 -3.840 3.102 11.531 1.00 0.00 N ATOM 740 CA GLY A 49 -3.102 4.389 11.384 1.00 0.00 C ATOM 741 C GLY A 49 -2.766 4.647 9.913 1.00 0.00 C ATOM 742 O GLY A 49 -2.383 3.759 9.180 1.00 0.00 O ATOM 0 H GLY A 49 -4.779 3.187 11.920 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.706 5.208 11.775 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.185 4.359 11.973 1.00 0.00 H new ATOM 746 N HIS A 50 -2.910 5.867 9.476 1.00 0.00 N ATOM 747 CA HIS A 50 -2.602 6.204 8.057 1.00 0.00 C ATOM 748 C HIS A 50 -1.095 6.086 7.798 1.00 0.00 C ATOM 749 O HIS A 50 -0.672 5.673 6.736 1.00 0.00 O ATOM 750 CB HIS A 50 -3.059 7.636 7.765 1.00 0.00 C ATOM 751 CG HIS A 50 -2.823 7.951 6.314 1.00 0.00 C ATOM 752 ND1 HIS A 50 -1.619 8.456 5.854 1.00 0.00 N ATOM 753 CD2 HIS A 50 -3.629 7.832 5.207 1.00 0.00 C ATOM 754 CE1 HIS A 50 -1.731 8.624 4.524 1.00 0.00 C ATOM 755 NE2 HIS A 50 -2.935 8.259 4.077 1.00 0.00 N ATOM 0 H HIS A 50 -3.230 6.651 10.045 1.00 0.00 H new ATOM 0 HA HIS A 50 -3.128 5.507 7.404 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -4.116 7.748 8.005 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -2.513 8.339 8.394 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.644 7.464 5.212 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -0.942 9.008 3.894 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -3.274 8.287 3.115 1.00 0.00 H new ATOM 763 N GLY A 51 -0.282 6.446 8.760 1.00 0.00 N ATOM 764 CA GLY A 51 1.206 6.360 8.583 1.00 0.00 C ATOM 765 C GLY A 51 1.711 5.041 9.169 1.00 0.00 C ATOM 766 O GLY A 51 2.651 4.448 8.675 1.00 0.00 O ATOM 0 H GLY A 51 -0.585 6.799 9.668 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.462 6.423 7.525 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.692 7.201 9.079 1.00 0.00 H new ATOM 770 N ARG A 52 1.105 4.593 10.229 1.00 0.00 N ATOM 771 CA ARG A 52 1.557 3.326 10.869 1.00 0.00 C ATOM 772 C ARG A 52 1.346 2.166 9.895 1.00 0.00 C ATOM 773 O ARG A 52 1.923 1.107 10.039 1.00 0.00 O ATOM 774 CB ARG A 52 0.738 3.083 12.144 1.00 0.00 C ATOM 775 CG ARG A 52 1.308 1.877 12.911 1.00 0.00 C ATOM 776 CD ARG A 52 0.616 1.724 14.290 1.00 0.00 C ATOM 777 NE ARG A 52 -0.714 1.045 14.135 1.00 0.00 N ATOM 778 CZ ARG A 52 -1.665 1.202 15.028 1.00 0.00 C ATOM 779 NH1 ARG A 52 -1.573 2.117 15.953 1.00 0.00 N ATOM 780 NH2 ARG A 52 -2.727 0.457 14.974 1.00 0.00 N ATOM 0 H ARG A 52 0.314 5.049 10.683 1.00 0.00 H new ATOM 0 HA ARG A 52 2.614 3.398 11.125 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.761 3.971 12.776 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.306 2.901 11.887 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.167 0.968 12.326 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.382 2.003 13.050 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.251 1.145 14.961 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.480 2.704 14.747 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.882 0.452 13.323 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.754 2.724 15.991 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.320 2.226 16.639 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.820 -0.246 14.241 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.468 0.575 15.665 1.00 0.00 H new ATOM 794 N LEU A 53 0.535 2.369 8.896 1.00 0.00 N ATOM 795 CA LEU A 53 0.294 1.292 7.899 1.00 0.00 C ATOM 796 C LEU A 53 1.615 0.980 7.190 1.00 0.00 C ATOM 797 O LEU A 53 1.966 -0.165 6.974 1.00 0.00 O ATOM 798 CB LEU A 53 -0.748 1.786 6.883 1.00 0.00 C ATOM 799 CG LEU A 53 -1.038 0.725 5.804 1.00 0.00 C ATOM 800 CD1 LEU A 53 -1.586 -0.573 6.435 1.00 0.00 C ATOM 801 CD2 LEU A 53 -2.063 1.305 4.821 1.00 0.00 C ATOM 0 H LEU A 53 0.027 3.237 8.727 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.077 0.390 8.385 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.672 2.039 7.403 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.389 2.699 6.408 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.113 0.475 5.285 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.782 -1.304 5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.852 -0.977 7.132 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.512 -0.356 6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.283 0.569 4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.980 1.554 5.356 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.656 2.205 4.360 1.00 0.00 H new ATOM 813 N SER A 54 2.356 1.995 6.831 1.00 0.00 N ATOM 814 CA SER A 54 3.656 1.766 6.144 1.00 0.00 C ATOM 815 C SER A 54 4.616 1.049 7.094 1.00 0.00 C ATOM 816 O SER A 54 5.506 0.335 6.678 1.00 0.00 O ATOM 817 CB SER A 54 4.255 3.109 5.725 1.00 0.00 C ATOM 818 OG SER A 54 4.438 3.920 6.878 1.00 0.00 O ATOM 0 H SER A 54 2.114 2.974 6.985 1.00 0.00 H new ATOM 0 HA SER A 54 3.496 1.150 5.259 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.208 2.954 5.220 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.596 3.609 5.015 1.00 0.00 H new ATOM 0 HG SER A 54 3.567 4.232 7.200 1.00 0.00 H new ATOM 824 N GLN A 55 4.446 1.240 8.376 1.00 0.00 N ATOM 825 CA GLN A 55 5.345 0.571 9.366 1.00 0.00 C ATOM 826 C GLN A 55 4.881 -0.873 9.580 1.00 0.00 C ATOM 827 O GLN A 55 5.678 -1.763 9.801 1.00 0.00 O ATOM 828 CB GLN A 55 5.287 1.334 10.695 1.00 0.00 C ATOM 829 CG GLN A 55 6.287 0.728 11.685 1.00 0.00 C ATOM 830 CD GLN A 55 6.328 1.581 12.955 1.00 0.00 C ATOM 831 OE1 GLN A 55 5.298 1.968 13.474 1.00 0.00 O ATOM 832 NE2 GLN A 55 7.481 1.892 13.480 1.00 0.00 N ATOM 0 H GLN A 55 3.722 1.832 8.782 1.00 0.00 H new ATOM 0 HA GLN A 55 6.369 0.569 8.992 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.516 2.387 10.531 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.279 1.288 11.108 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.999 -0.294 11.930 1.00 0.00 H new ATOM 0 HG3 GLN A 55 7.278 0.680 11.234 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.344 1.567 13.044 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.519 2.460 14.326 1.00 0.00 H new ATOM 841 N MET A 56 3.598 -1.112 9.526 1.00 0.00 N ATOM 842 CA MET A 56 3.086 -2.498 9.731 1.00 0.00 C ATOM 843 C MET A 56 3.643 -3.424 8.649 1.00 0.00 C ATOM 844 O MET A 56 4.094 -4.517 8.925 1.00 0.00 O ATOM 845 CB MET A 56 1.555 -2.486 9.652 1.00 0.00 C ATOM 846 CG MET A 56 1.003 -3.889 9.933 1.00 0.00 C ATOM 847 SD MET A 56 -0.808 -3.838 9.938 1.00 0.00 S ATOM 848 CE MET A 56 -1.080 -4.120 8.167 1.00 0.00 C ATOM 0 H MET A 56 2.882 -0.407 9.349 1.00 0.00 H new ATOM 0 HA MET A 56 3.404 -2.860 10.709 1.00 0.00 H new ATOM 0 HB2 MET A 56 1.151 -1.776 10.374 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.236 -2.152 8.664 1.00 0.00 H new ATOM 0 HG2 MET A 56 1.355 -4.588 9.175 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.370 -4.250 10.894 1.00 0.00 H new ATOM 0 HE1 MET A 56 -2.150 -4.124 7.959 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.602 -3.325 7.594 1.00 0.00 H new ATOM 0 HE3 MET A 56 -0.651 -5.081 7.881 1.00 0.00 H new ATOM 858 N VAL A 57 3.610 -2.997 7.419 1.00 0.00 N ATOM 859 CA VAL A 57 4.125 -3.858 6.318 1.00 0.00 C ATOM 860 C VAL A 57 5.612 -4.150 6.550 1.00 0.00 C ATOM 861 O VAL A 57 6.113 -5.196 6.189 1.00 0.00 O ATOM 862 CB VAL A 57 3.931 -3.137 4.977 1.00 0.00 C ATOM 863 CG1 VAL A 57 2.443 -3.107 4.609 1.00 0.00 C ATOM 864 CG2 VAL A 57 4.445 -1.701 5.087 1.00 0.00 C ATOM 0 H VAL A 57 3.249 -2.089 7.127 1.00 0.00 H new ATOM 0 HA VAL A 57 3.578 -4.800 6.300 1.00 0.00 H new ATOM 0 HB VAL A 57 4.486 -3.671 4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.314 -2.594 3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.068 -4.127 4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.887 -2.579 5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.306 -1.191 4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.891 -1.175 5.864 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.505 -1.712 5.342 1.00 0.00 H new ATOM 874 N LYS A 58 6.314 -3.236 7.152 1.00 0.00 N ATOM 875 CA LYS A 58 7.762 -3.454 7.412 1.00 0.00 C ATOM 876 C LYS A 58 7.947 -4.624 8.386 1.00 0.00 C ATOM 877 O LYS A 58 8.935 -5.328 8.339 1.00 0.00 O ATOM 878 CB LYS A 58 8.359 -2.179 8.010 1.00 0.00 C ATOM 879 CG LYS A 58 9.884 -2.314 8.111 1.00 0.00 C ATOM 880 CD LYS A 58 10.503 -0.968 8.534 1.00 0.00 C ATOM 881 CE LYS A 58 10.095 -0.603 9.974 1.00 0.00 C ATOM 882 NZ LYS A 58 11.001 0.464 10.488 1.00 0.00 N ATOM 0 H LYS A 58 5.946 -2.342 7.477 1.00 0.00 H new ATOM 0 HA LYS A 58 8.270 -3.692 6.478 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.101 -1.321 7.389 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.935 -1.997 8.998 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.142 -3.086 8.835 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.294 -2.627 7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.589 -1.024 8.463 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.179 -0.183 7.850 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.061 -0.259 9.995 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.151 -1.483 10.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.728 0.713 11.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.982 0.119 10.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.926 1.305 9.881 1.00 0.00 H new ATOM 896 N LYS A 59 7.009 -4.837 9.274 1.00 0.00 N ATOM 897 CA LYS A 59 7.144 -5.961 10.256 1.00 0.00 C ATOM 898 C LYS A 59 6.591 -7.258 9.654 1.00 0.00 C ATOM 899 O LYS A 59 6.729 -8.319 10.230 1.00 0.00 O ATOM 900 CB LYS A 59 6.348 -5.617 11.519 1.00 0.00 C ATOM 901 CG LYS A 59 6.984 -4.402 12.209 1.00 0.00 C ATOM 902 CD LYS A 59 6.260 -4.093 13.538 1.00 0.00 C ATOM 903 CE LYS A 59 4.871 -3.483 13.282 1.00 0.00 C ATOM 904 NZ LYS A 59 4.354 -2.898 14.550 1.00 0.00 N ATOM 0 H LYS A 59 6.157 -4.284 9.363 1.00 0.00 H new ATOM 0 HA LYS A 59 8.197 -6.101 10.499 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.311 -5.401 11.261 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.336 -6.470 12.198 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.039 -4.596 12.400 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.933 -3.535 11.551 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.157 -5.008 14.121 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.860 -3.403 14.131 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.934 -2.714 12.512 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.187 -4.247 12.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.415 -2.484 14.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.281 -3.643 15.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.005 -2.158 14.882 1.00 0.00 H new ATOM 918 N LEU A 60 5.977 -7.185 8.494 1.00 0.00 N ATOM 919 CA LEU A 60 5.420 -8.415 7.832 1.00 0.00 C ATOM 920 C LEU A 60 6.380 -8.866 6.726 1.00 0.00 C ATOM 921 O LEU A 60 6.766 -8.097 5.867 1.00 0.00 O ATOM 922 CB LEU A 60 4.047 -8.089 7.227 1.00 0.00 C ATOM 923 CG LEU A 60 3.057 -7.666 8.331 1.00 0.00 C ATOM 924 CD1 LEU A 60 1.747 -7.210 7.677 1.00 0.00 C ATOM 925 CD2 LEU A 60 2.775 -8.839 9.302 1.00 0.00 C ATOM 0 H LEU A 60 5.836 -6.320 7.973 1.00 0.00 H new ATOM 0 HA LEU A 60 5.309 -9.214 8.565 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.147 -7.289 6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.660 -8.960 6.698 1.00 0.00 H new ATOM 0 HG LEU A 60 3.496 -6.849 8.904 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.040 -6.909 8.450 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.945 -6.365 7.017 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.324 -8.031 7.099 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.074 -8.514 10.071 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.345 -9.674 8.749 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.707 -9.155 9.771 1.00 0.00 H new ATOM 937 N ASP A 61 6.780 -10.108 6.752 1.00 0.00 N ATOM 938 CA ASP A 61 7.727 -10.619 5.723 1.00 0.00 C ATOM 939 C ASP A 61 7.064 -10.596 4.340 1.00 0.00 C ATOM 940 O ASP A 61 6.005 -10.027 4.161 1.00 0.00 O ATOM 941 CB ASP A 61 8.123 -12.056 6.075 1.00 0.00 C ATOM 942 CG ASP A 61 8.976 -12.064 7.347 1.00 0.00 C ATOM 943 OD1 ASP A 61 9.483 -11.014 7.708 1.00 0.00 O ATOM 944 OD2 ASP A 61 9.106 -13.123 7.938 1.00 0.00 O ATOM 0 H ASP A 61 6.489 -10.795 7.448 1.00 0.00 H new ATOM 0 HA ASP A 61 8.613 -9.984 5.702 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.230 -12.663 6.222 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.680 -12.502 5.250 1.00 0.00 H new ATOM 949 N PHE A 62 7.691 -11.223 3.370 1.00 0.00 N ATOM 950 CA PHE A 62 7.145 -11.274 1.970 1.00 0.00 C ATOM 951 C PHE A 62 6.596 -9.911 1.533 1.00 0.00 C ATOM 952 O PHE A 62 5.860 -9.818 0.575 1.00 0.00 O ATOM 953 CB PHE A 62 6.030 -12.333 1.870 1.00 0.00 C ATOM 954 CG PHE A 62 4.851 -11.969 2.758 1.00 0.00 C ATOM 955 CD1 PHE A 62 3.809 -11.169 2.261 1.00 0.00 C ATOM 956 CD2 PHE A 62 4.803 -12.432 4.081 1.00 0.00 C ATOM 957 CE1 PHE A 62 2.727 -10.836 3.084 1.00 0.00 C ATOM 958 CE2 PHE A 62 3.720 -12.097 4.902 1.00 0.00 C ATOM 959 CZ PHE A 62 2.681 -11.300 4.402 1.00 0.00 C ATOM 0 H PHE A 62 8.578 -11.712 3.492 1.00 0.00 H new ATOM 0 HA PHE A 62 7.966 -11.543 1.306 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.698 -12.419 0.836 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.422 -13.307 2.161 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.843 -10.810 1.243 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.602 -13.047 4.467 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.927 -10.220 2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.685 -12.453 5.921 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.844 -11.044 5.035 1.00 0.00 H new ATOM 969 N LEU A 63 6.949 -8.853 2.226 1.00 0.00 N ATOM 970 CA LEU A 63 6.440 -7.489 1.867 1.00 0.00 C ATOM 971 C LEU A 63 7.623 -6.506 1.855 1.00 0.00 C ATOM 972 O LEU A 63 8.249 -6.258 2.867 1.00 0.00 O ATOM 973 CB LEU A 63 5.402 -7.092 2.947 1.00 0.00 C ATOM 974 CG LEU A 63 4.403 -6.039 2.432 1.00 0.00 C ATOM 975 CD1 LEU A 63 5.156 -4.809 1.902 1.00 0.00 C ATOM 976 CD2 LEU A 63 3.483 -6.634 1.326 1.00 0.00 C ATOM 0 H LEU A 63 7.574 -8.877 3.032 1.00 0.00 H new ATOM 0 HA LEU A 63 5.974 -7.474 0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.858 -7.980 3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.921 -6.701 3.822 1.00 0.00 H new ATOM 0 HG LEU A 63 3.770 -5.732 3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.439 -4.071 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.752 -4.373 2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.812 -5.108 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.788 -5.869 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.093 -6.974 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.923 -7.476 1.733 1.00 0.00 H new ATOM 988 N THR A 64 7.924 -5.944 0.710 1.00 0.00 N ATOM 989 CA THR A 64 9.055 -4.965 0.602 1.00 0.00 C ATOM 990 C THR A 64 8.503 -3.554 0.811 1.00 0.00 C ATOM 991 O THR A 64 7.420 -3.237 0.350 1.00 0.00 O ATOM 992 CB THR A 64 9.683 -5.073 -0.795 1.00 0.00 C ATOM 993 OG1 THR A 64 10.140 -6.404 -1.004 1.00 0.00 O ATOM 994 CG2 THR A 64 10.865 -4.106 -0.910 1.00 0.00 C ATOM 0 H THR A 64 7.430 -6.123 -0.164 1.00 0.00 H new ATOM 0 HA THR A 64 9.813 -5.179 1.355 1.00 0.00 H new ATOM 0 HB THR A 64 8.936 -4.818 -1.546 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.540 -6.476 -1.896 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.306 -4.187 -1.903 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.517 -3.085 -0.750 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.614 -4.356 -0.159 1.00 0.00 H new ATOM 1002 N VAL A 65 9.234 -2.706 1.505 1.00 0.00 N ATOM 1003 CA VAL A 65 8.761 -1.301 1.763 1.00 0.00 C ATOM 1004 C VAL A 65 9.689 -0.310 1.061 1.00 0.00 C ATOM 1005 O VAL A 65 10.896 -0.365 1.195 1.00 0.00 O ATOM 1006 CB VAL A 65 8.791 -1.030 3.271 1.00 0.00 C ATOM 1007 CG1 VAL A 65 8.283 0.392 3.558 1.00 0.00 C ATOM 1008 CG2 VAL A 65 7.897 -2.046 3.985 1.00 0.00 C ATOM 0 H VAL A 65 10.145 -2.929 1.907 1.00 0.00 H new ATOM 0 HA VAL A 65 7.746 -1.184 1.382 1.00 0.00 H new ATOM 0 HB VAL A 65 9.815 -1.122 3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.307 0.577 4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.921 1.116 3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.260 0.493 3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.916 -1.856 5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.875 -1.953 3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.263 -3.054 3.788 1.00 0.00 H new ATOM 1018 N GLN A 66 9.119 0.603 0.319 1.00 0.00 N ATOM 1019 CA GLN A 66 9.934 1.626 -0.400 1.00 0.00 C ATOM 1020 C GLN A 66 9.067 2.865 -0.619 1.00 0.00 C ATOM 1021 O GLN A 66 7.879 2.762 -0.854 1.00 0.00 O ATOM 1022 CB GLN A 66 10.384 1.065 -1.751 1.00 0.00 C ATOM 1023 CG GLN A 66 11.295 2.077 -2.453 1.00 0.00 C ATOM 1024 CD GLN A 66 11.885 1.443 -3.717 1.00 0.00 C ATOM 1025 OE1 GLN A 66 12.789 0.632 -3.638 1.00 0.00 O ATOM 1026 NE2 GLN A 66 11.406 1.775 -4.882 1.00 0.00 N ATOM 0 H GLN A 66 8.112 0.684 0.179 1.00 0.00 H new ATOM 0 HA GLN A 66 10.816 1.885 0.186 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.914 0.123 -1.606 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.516 0.850 -2.374 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.730 2.972 -2.712 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.095 2.388 -1.782 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.648 2.455 -4.947 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.789 1.355 -5.729 1.00 0.00 H new ATOM 1035 N GLU A 67 9.653 4.036 -0.534 1.00 0.00 N ATOM 1036 CA GLU A 67 8.880 5.310 -0.723 1.00 0.00 C ATOM 1037 C GLU A 67 9.275 5.952 -2.052 1.00 0.00 C ATOM 1038 O GLU A 67 10.378 5.772 -2.532 1.00 0.00 O ATOM 1039 CB GLU A 67 9.216 6.271 0.425 1.00 0.00 C ATOM 1040 CG GLU A 67 8.673 5.715 1.753 1.00 0.00 C ATOM 1041 CD GLU A 67 9.485 4.489 2.180 1.00 0.00 C ATOM 1042 OE1 GLU A 67 10.612 4.361 1.732 1.00 0.00 O ATOM 1043 OE2 GLU A 67 8.967 3.698 2.953 1.00 0.00 O ATOM 0 H GLU A 67 10.646 4.167 -0.339 1.00 0.00 H new ATOM 0 HA GLU A 67 7.811 5.096 -0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.295 6.407 0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.783 7.252 0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.724 6.482 2.526 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.623 5.445 1.641 1.00 0.00 H new ATOM 1050 N SER A 68 8.375 6.704 -2.645 1.00 0.00 N ATOM 1051 CA SER A 68 8.662 7.383 -3.952 1.00 0.00 C ATOM 1052 C SER A 68 8.346 8.868 -3.814 1.00 0.00 C ATOM 1053 O SER A 68 7.311 9.256 -3.311 1.00 0.00 O ATOM 1054 CB SER A 68 7.805 6.762 -5.046 1.00 0.00 C ATOM 1055 OG SER A 68 8.237 5.424 -5.254 1.00 0.00 O ATOM 0 H SER A 68 7.441 6.878 -2.273 1.00 0.00 H new ATOM 0 HA SER A 68 9.712 7.259 -4.217 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.754 6.780 -4.759 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.894 7.336 -5.968 1.00 0.00 H new ATOM 0 HG SER A 68 8.093 5.176 -6.191 1.00 0.00 H new ATOM 1061 N ARG A 69 9.257 9.700 -4.235 1.00 0.00 N ATOM 1062 CA ARG A 69 9.069 11.170 -4.118 1.00 0.00 C ATOM 1063 C ARG A 69 8.113 11.617 -5.230 1.00 0.00 C ATOM 1064 O ARG A 69 8.217 11.183 -6.361 1.00 0.00 O ATOM 1065 CB ARG A 69 10.447 11.873 -4.267 1.00 0.00 C ATOM 1066 CG ARG A 69 11.289 11.794 -2.953 1.00 0.00 C ATOM 1067 CD ARG A 69 11.650 10.334 -2.539 1.00 0.00 C ATOM 1068 NE ARG A 69 12.953 9.863 -3.153 1.00 0.00 N ATOM 1069 CZ ARG A 69 13.055 8.633 -3.629 1.00 0.00 C ATOM 1070 NH1 ARG A 69 12.012 8.011 -4.095 1.00 0.00 N ATOM 1071 NH2 ARG A 69 14.219 8.045 -3.728 1.00 0.00 N ATOM 0 H ARG A 69 10.139 9.417 -4.662 1.00 0.00 H new ATOM 0 HA ARG A 69 8.649 11.434 -3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.003 11.411 -5.083 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.294 12.918 -4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 69 12.208 12.365 -3.084 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.732 12.267 -2.144 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.721 10.275 -1.453 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.846 9.664 -2.843 1.00 0.00 H new ATOM 0 HE ARG A 69 13.752 10.495 -3.199 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.102 8.472 -4.096 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.104 7.063 -4.459 1.00 0.00 H new ATOM 0 HH21 ARG A 69 15.064 8.535 -3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.281 7.096 -4.097 1.00 0.00 H new ATOM 1085 N ASN A 70 7.174 12.472 -4.917 1.00 0.00 N ATOM 1086 CA ASN A 70 6.199 12.948 -5.949 1.00 0.00 C ATOM 1087 C ASN A 70 5.758 14.375 -5.611 1.00 0.00 C ATOM 1088 O ASN A 70 4.927 14.595 -4.748 1.00 0.00 O ATOM 1089 CB ASN A 70 4.984 12.013 -5.953 1.00 0.00 C ATOM 1090 CG ASN A 70 5.405 10.635 -6.477 1.00 0.00 C ATOM 1091 OD1 ASN A 70 6.142 10.540 -7.441 1.00 0.00 O ATOM 1092 ND2 ASN A 70 4.968 9.560 -5.884 1.00 0.00 N ATOM 0 H ASN A 70 7.038 12.865 -3.985 1.00 0.00 H new ATOM 0 HA ASN A 70 6.665 12.944 -6.934 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.577 11.923 -4.946 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.194 12.427 -6.580 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.244 8.640 -6.228 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.350 9.639 -5.076 1.00 0.00 H new ATOM 1099 N GLY A 71 6.316 15.343 -6.286 1.00 0.00 N ATOM 1100 CA GLY A 71 5.943 16.759 -6.017 1.00 0.00 C ATOM 1101 C GLY A 71 6.292 17.127 -4.577 1.00 0.00 C ATOM 1102 O GLY A 71 7.308 16.721 -4.046 1.00 0.00 O ATOM 0 H GLY A 71 7.017 15.212 -7.015 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.468 17.419 -6.707 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.876 16.902 -6.189 1.00 0.00 H new ATOM 1106 N SER A 72 5.454 17.902 -3.943 1.00 0.00 N ATOM 1107 CA SER A 72 5.713 18.323 -2.533 1.00 0.00 C ATOM 1108 C SER A 72 5.160 17.276 -1.566 1.00 0.00 C ATOM 1109 O SER A 72 5.318 17.398 -0.369 1.00 0.00 O ATOM 1110 CB SER A 72 5.016 19.660 -2.281 1.00 0.00 C ATOM 1111 OG SER A 72 3.608 19.467 -2.293 1.00 0.00 O ATOM 0 H SER A 72 4.591 18.266 -4.346 1.00 0.00 H new ATOM 0 HA SER A 72 6.787 18.423 -2.374 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.330 20.071 -1.322 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.302 20.382 -3.046 1.00 0.00 H new ATOM 0 HG SER A 72 3.159 20.323 -2.130 1.00 0.00 H new ATOM 1117 N LYS A 73 4.499 16.255 -2.077 1.00 0.00 N ATOM 1118 CA LYS A 73 3.908 15.190 -1.194 1.00 0.00 C ATOM 1119 C LYS A 73 4.587 13.843 -1.465 1.00 0.00 C ATOM 1120 O LYS A 73 4.571 13.338 -2.570 1.00 0.00 O ATOM 1121 CB LYS A 73 2.408 15.072 -1.505 1.00 0.00 C ATOM 1122 CG LYS A 73 1.725 14.156 -0.478 1.00 0.00 C ATOM 1123 CD LYS A 73 0.223 14.002 -0.800 1.00 0.00 C ATOM 1124 CE LYS A 73 -0.556 15.282 -0.453 1.00 0.00 C ATOM 1125 NZ LYS A 73 -2.017 14.987 -0.466 1.00 0.00 N ATOM 0 H LYS A 73 4.343 16.114 -3.075 1.00 0.00 H new ATOM 0 HA LYS A 73 4.060 15.458 -0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.946 16.059 -1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.267 14.673 -2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.205 13.177 -0.480 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.847 14.569 0.523 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.097 13.773 -1.858 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.187 13.161 -0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.256 15.649 0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.325 16.068 -1.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.548 15.850 -0.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.296 14.655 -1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.229 14.249 0.236 1.00 0.00 H new ATOM 1139 N LEU A 74 5.173 13.252 -0.448 1.00 0.00 N ATOM 1140 CA LEU A 74 5.843 11.926 -0.613 1.00 0.00 C ATOM 1141 C LEU A 74 4.787 10.827 -0.527 1.00 0.00 C ATOM 1142 O LEU A 74 3.982 10.806 0.385 1.00 0.00 O ATOM 1143 CB LEU A 74 6.896 11.753 0.502 1.00 0.00 C ATOM 1144 CG LEU A 74 7.513 10.312 0.499 1.00 0.00 C ATOM 1145 CD1 LEU A 74 9.031 10.386 0.754 1.00 0.00 C ATOM 1146 CD2 LEU A 74 6.869 9.451 1.607 1.00 0.00 C ATOM 0 H LEU A 74 5.214 13.637 0.496 1.00 0.00 H new ATOM 0 HA LEU A 74 6.341 11.866 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.689 12.489 0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.436 11.950 1.470 1.00 0.00 H new ATOM 0 HG LEU A 74 7.321 9.861 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.450 9.380 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.503 10.979 -0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.215 10.852 1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.307 8.453 1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.049 9.913 2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.795 9.378 1.434 1.00 0.00 H new ATOM 1158 N HIS A 75 4.775 9.915 -1.477 1.00 0.00 N ATOM 1159 CA HIS A 75 3.764 8.802 -1.480 1.00 0.00 C ATOM 1160 C HIS A 75 4.458 7.475 -1.175 1.00 0.00 C ATOM 1161 O HIS A 75 5.395 7.083 -1.839 1.00 0.00 O ATOM 1162 CB HIS A 75 3.113 8.729 -2.863 1.00 0.00 C ATOM 1163 CG HIS A 75 2.313 9.981 -3.104 1.00 0.00 C ATOM 1164 ND1 HIS A 75 2.539 10.808 -4.194 1.00 0.00 N ATOM 1165 CD2 HIS A 75 1.292 10.566 -2.396 1.00 0.00 C ATOM 1166 CE1 HIS A 75 1.673 11.833 -4.111 1.00 0.00 C ATOM 1167 NE2 HIS A 75 0.890 11.736 -3.035 1.00 0.00 N ATOM 0 H HIS A 75 5.430 9.895 -2.259 1.00 0.00 H new ATOM 0 HA HIS A 75 3.006 8.992 -0.720 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.878 8.619 -3.632 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.467 7.853 -2.928 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.866 10.178 -1.483 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.618 12.638 -4.829 1.00 0.00 H new ATOM 0 HE2 HIS A 75 0.155 12.380 -2.743 1.00 0.00 H new ATOM 1175 N SER A 76 3.997 6.782 -0.169 1.00 0.00 N ATOM 1176 CA SER A 76 4.615 5.476 0.196 1.00 0.00 C ATOM 1177 C SER A 76 4.246 4.427 -0.862 1.00 0.00 C ATOM 1178 O SER A 76 3.210 4.509 -1.493 1.00 0.00 O ATOM 1179 CB SER A 76 4.093 5.040 1.569 1.00 0.00 C ATOM 1180 OG SER A 76 4.700 5.843 2.575 1.00 0.00 O ATOM 0 H SER A 76 3.214 7.067 0.419 1.00 0.00 H new ATOM 0 HA SER A 76 5.700 5.576 0.238 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.009 5.143 1.609 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.320 3.988 1.740 1.00 0.00 H new ATOM 0 HG SER A 76 4.369 5.570 3.456 1.00 0.00 H new ATOM 1186 N GLU A 77 5.089 3.438 -1.049 1.00 0.00 N ATOM 1187 CA GLU A 77 4.811 2.357 -2.054 1.00 0.00 C ATOM 1188 C GLU A 77 5.209 1.006 -1.460 1.00 0.00 C ATOM 1189 O GLU A 77 6.088 0.918 -0.626 1.00 0.00 O ATOM 1190 CB GLU A 77 5.630 2.604 -3.326 1.00 0.00 C ATOM 1191 CG GLU A 77 5.111 3.855 -4.040 1.00 0.00 C ATOM 1192 CD GLU A 77 5.935 4.108 -5.304 1.00 0.00 C ATOM 1193 OE1 GLU A 77 6.869 3.359 -5.545 1.00 0.00 O ATOM 1194 OE2 GLU A 77 5.616 5.048 -6.015 1.00 0.00 O ATOM 0 H GLU A 77 5.968 3.331 -0.543 1.00 0.00 H new ATOM 0 HA GLU A 77 3.749 2.360 -2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.683 2.728 -3.073 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.561 1.741 -3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.060 3.728 -4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.173 4.717 -3.375 1.00 0.00 H new ATOM 1201 N ILE A 78 4.559 -0.049 -1.891 1.00 0.00 N ATOM 1202 CA ILE A 78 4.873 -1.420 -1.375 1.00 0.00 C ATOM 1203 C ILE A 78 4.895 -2.409 -2.536 1.00 0.00 C ATOM 1204 O ILE A 78 4.285 -2.197 -3.565 1.00 0.00 O ATOM 1205 CB ILE A 78 3.796 -1.838 -0.368 1.00 0.00 C ATOM 1206 CG1 ILE A 78 2.407 -1.620 -0.983 1.00 0.00 C ATOM 1207 CG2 ILE A 78 3.927 -0.999 0.906 1.00 0.00 C ATOM 1208 CD1 ILE A 78 1.330 -2.176 -0.050 1.00 0.00 C ATOM 0 H ILE A 78 3.815 -0.018 -2.588 1.00 0.00 H new ATOM 0 HA ILE A 78 5.848 -1.413 -0.888 1.00 0.00 H new ATOM 0 HB ILE A 78 3.924 -2.892 -0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.238 -0.557 -1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.348 -2.112 -1.954 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.160 -1.299 1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.912 -1.156 1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.803 0.056 0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.347 -2.017 -0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.493 -3.243 0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.381 -1.664 0.911 1.00 0.00 H new ATOM 1220 N ARG A 79 5.589 -3.501 -2.368 1.00 0.00 N ATOM 1221 CA ARG A 79 5.662 -4.531 -3.442 1.00 0.00 C ATOM 1222 C ARG A 79 6.037 -5.867 -2.798 1.00 0.00 C ATOM 1223 O ARG A 79 6.700 -5.910 -1.781 1.00 0.00 O ATOM 1224 CB ARG A 79 6.734 -4.118 -4.449 1.00 0.00 C ATOM 1225 CG ARG A 79 6.751 -5.084 -5.641 1.00 0.00 C ATOM 1226 CD ARG A 79 7.898 -4.690 -6.566 1.00 0.00 C ATOM 1227 NE ARG A 79 9.171 -4.833 -5.791 1.00 0.00 N ATOM 1228 CZ ARG A 79 9.881 -5.936 -5.834 1.00 0.00 C ATOM 1229 NH1 ARG A 79 9.740 -6.797 -6.806 1.00 0.00 N ATOM 1230 NH2 ARG A 79 10.793 -6.141 -4.926 1.00 0.00 N ATOM 0 H ARG A 79 6.114 -3.726 -1.523 1.00 0.00 H new ATOM 0 HA ARG A 79 4.706 -4.625 -3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.542 -3.103 -4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.711 -4.109 -3.966 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.878 -6.110 -5.295 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.802 -5.043 -6.176 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.914 -5.327 -7.450 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.774 -3.665 -6.915 1.00 0.00 H new ATOM 0 HE ARG A 79 9.494 -4.055 -5.216 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.067 -6.619 -7.552 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.302 -7.648 -6.819 1.00 0.00 H new ATOM 0 HH21 ARG A 79 10.948 -5.448 -4.193 1.00 0.00 H new ATOM 0 HH22 ARG A 79 11.352 -6.994 -4.948 1.00 0.00 H new ATOM 1244 N LEU A 80 5.615 -6.954 -3.374 1.00 0.00 N ATOM 1245 CA LEU A 80 5.942 -8.283 -2.789 1.00 0.00 C ATOM 1246 C LEU A 80 7.434 -8.567 -2.973 1.00 0.00 C ATOM 1247 O LEU A 80 8.015 -8.270 -3.998 1.00 0.00 O ATOM 1248 CB LEU A 80 5.108 -9.353 -3.502 1.00 0.00 C ATOM 1249 CG LEU A 80 3.615 -8.982 -3.443 1.00 0.00 C ATOM 1250 CD1 LEU A 80 2.811 -10.023 -4.230 1.00 0.00 C ATOM 1251 CD2 LEU A 80 3.122 -8.929 -1.978 1.00 0.00 C ATOM 0 H LEU A 80 5.056 -6.981 -4.227 1.00 0.00 H new ATOM 0 HA LEU A 80 5.712 -8.293 -1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.428 -9.444 -4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.269 -10.324 -3.033 1.00 0.00 H new ATOM 0 HG LEU A 80 3.474 -7.995 -3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.752 -9.768 -4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.146 -10.034 -5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.962 -11.009 -3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.065 -8.665 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.261 -9.904 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.693 -8.180 -1.429 1.00 0.00 H new ATOM 1263 N ARG A 81 8.064 -9.129 -1.976 1.00 0.00 N ATOM 1264 CA ARG A 81 9.523 -9.424 -2.074 1.00 0.00 C ATOM 1265 C ARG A 81 9.763 -10.537 -3.098 1.00 0.00 C ATOM 1266 O ARG A 81 9.773 -11.707 -2.772 1.00 0.00 O ATOM 1267 CB ARG A 81 10.037 -9.863 -0.701 1.00 0.00 C ATOM 1268 CG ARG A 81 11.554 -10.097 -0.753 1.00 0.00 C ATOM 1269 CD ARG A 81 12.073 -10.362 0.668 1.00 0.00 C ATOM 1270 NE ARG A 81 13.513 -10.775 0.622 1.00 0.00 N ATOM 1271 CZ ARG A 81 14.234 -10.775 1.715 1.00 0.00 C ATOM 1272 NH1 ARG A 81 13.716 -10.355 2.838 1.00 0.00 N ATOM 1273 NH2 ARG A 81 15.468 -11.191 1.682 1.00 0.00 N ATOM 0 H ARG A 81 7.628 -9.398 -1.094 1.00 0.00 H new ATOM 0 HA ARG A 81 10.055 -8.529 -2.397 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.804 -9.101 0.043 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.531 -10.777 -0.390 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.781 -10.944 -1.400 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.054 -9.227 -1.179 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.963 -9.465 1.277 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.478 -11.143 1.141 1.00 0.00 H new ATOM 0 HE ARG A 81 13.933 -11.057 -0.264 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.750 -10.027 2.863 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.277 -10.355 3.690 1.00 0.00 H new ATOM 0 HH21 ARG A 81 15.873 -11.517 0.804 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.029 -11.191 2.534 1.00 0.00 H new