USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 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 54 SER OG : rot -73:sc= 0.199 USER MOD Set 1.2: A 76 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 35 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 39 ASN : amide:sc= -2.05! X(o=-2.1!,f=-2.3) USER MOD Set 3.1: A 34 SER OG : rot 180:sc= 0.226 USER MOD Set 3.2: A 38 LYS NZ :NH3+ -168:sc= 0.245 (180deg=0) USER MOD Single : A 7 HIS : no HE2:sc= -0.201 K(o=-0.2,f=-0.76) USER MOD Single : A 10 GLN : amide:sc= -0.0114 K(o=-0.011,f=-1.7!) USER MOD Single : A 12 MET CE :methyl 173:sc= -0.7 (180deg=-0.741) USER MOD Single : A 14 THR OG1 : rot 67:sc= 1.09 USER MOD Single : A 15 SER OG : rot 104:sc= 1.68 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 42 SER OG : rot 180:sc= -0.0848 USER MOD Single : A 47 ASN : amide:sc= -1.47! C(o=-1.5!,f=-3.2!) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.25) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 159:sc= -0.0749 (180deg=-0.544) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.243 USER MOD Single : A 66 GLN : amide:sc= -3.19! C(o=-3.2!,f=-4.1!) USER MOD Single : A 68 SER OG : rot -13:sc= 0.881 USER MOD Single : A 70 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.6) 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 75 HIS : no HE2:sc= 0 X(o=0,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 110 N HIS A 7 -8.659 -13.651 5.938 1.00 0.00 N ATOM 111 CA HIS A 7 -7.920 -14.154 4.732 1.00 0.00 C ATOM 112 C HIS A 7 -6.419 -13.812 4.879 1.00 0.00 C ATOM 113 O HIS A 7 -6.077 -12.838 5.521 1.00 0.00 O ATOM 114 CB HIS A 7 -8.490 -13.461 3.485 1.00 0.00 C ATOM 115 CG HIS A 7 -9.871 -13.996 3.193 1.00 0.00 C ATOM 116 ND1 HIS A 7 -10.935 -13.824 4.067 1.00 0.00 N ATOM 117 CD2 HIS A 7 -10.371 -14.711 2.133 1.00 0.00 C ATOM 118 CE1 HIS A 7 -12.009 -14.422 3.520 1.00 0.00 C ATOM 119 NE2 HIS A 7 -11.720 -14.979 2.340 1.00 0.00 N ATOM 0 HA HIS A 7 -8.035 -15.234 4.639 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -8.533 -12.383 3.643 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -7.835 -13.632 2.631 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -10.908 -13.334 4.961 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.802 -15.019 1.268 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -12.986 -14.449 3.979 1.00 0.00 H new ATOM 127 N PRO A 8 -5.517 -14.586 4.293 1.00 0.00 N ATOM 128 CA PRO A 8 -4.052 -14.300 4.392 1.00 0.00 C ATOM 129 C PRO A 8 -3.730 -12.816 4.138 1.00 0.00 C ATOM 130 O PRO A 8 -4.287 -12.190 3.260 1.00 0.00 O ATOM 131 CB PRO A 8 -3.413 -15.184 3.290 1.00 0.00 C ATOM 132 CG PRO A 8 -4.396 -16.302 3.039 1.00 0.00 C ATOM 133 CD PRO A 8 -5.785 -15.809 3.505 1.00 0.00 C ATOM 0 HA PRO A 8 -3.672 -14.515 5.391 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.235 -14.609 2.382 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.449 -15.576 3.613 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.417 -16.565 1.981 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.104 -17.199 3.585 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.433 -15.596 2.655 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.289 -16.564 4.108 1.00 0.00 H new ATOM 141 N LEU A 9 -2.832 -12.259 4.903 1.00 0.00 N ATOM 142 CA LEU A 9 -2.470 -10.825 4.707 1.00 0.00 C ATOM 143 C LEU A 9 -1.854 -10.657 3.313 1.00 0.00 C ATOM 144 O LEU A 9 -2.135 -9.708 2.608 1.00 0.00 O ATOM 145 CB LEU A 9 -1.444 -10.407 5.781 1.00 0.00 C ATOM 146 CG LEU A 9 -2.150 -10.094 7.111 1.00 0.00 C ATOM 147 CD1 LEU A 9 -2.948 -11.317 7.586 1.00 0.00 C ATOM 148 CD2 LEU A 9 -1.093 -9.725 8.160 1.00 0.00 C ATOM 0 H LEU A 9 -2.333 -12.734 5.655 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.358 -10.199 4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.717 -11.206 5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.891 -9.531 5.442 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.839 -9.261 6.970 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.444 -11.084 8.528 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.696 -11.577 6.837 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.271 -12.159 7.730 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.583 -9.501 9.107 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.407 -10.561 8.295 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.537 -8.850 7.824 1.00 0.00 H new ATOM 160 N GLN A 10 -1.017 -11.577 2.912 1.00 0.00 N ATOM 161 CA GLN A 10 -0.376 -11.478 1.569 1.00 0.00 C ATOM 162 C GLN A 10 -1.463 -11.421 0.498 1.00 0.00 C ATOM 163 O GLN A 10 -1.354 -10.705 -0.473 1.00 0.00 O ATOM 164 CB GLN A 10 0.513 -12.704 1.333 1.00 0.00 C ATOM 165 CG GLN A 10 1.253 -12.563 -0.002 1.00 0.00 C ATOM 166 CD GLN A 10 2.252 -13.714 -0.161 1.00 0.00 C ATOM 167 OE1 GLN A 10 2.636 -14.338 0.810 1.00 0.00 O ATOM 168 NE2 GLN A 10 2.693 -14.020 -1.351 1.00 0.00 N ATOM 0 H GLN A 10 -0.749 -12.395 3.459 1.00 0.00 H new ATOM 0 HA GLN A 10 0.235 -10.577 1.520 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.230 -12.806 2.147 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.094 -13.609 1.328 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.540 -12.570 -0.827 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.775 -11.607 -0.040 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.370 -13.496 -2.165 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.360 -14.783 -1.467 1.00 0.00 H new ATOM 177 N ASP A 11 -2.517 -12.169 0.670 1.00 0.00 N ATOM 178 CA ASP A 11 -3.608 -12.148 -0.338 1.00 0.00 C ATOM 179 C ASP A 11 -4.223 -10.746 -0.395 1.00 0.00 C ATOM 180 O ASP A 11 -4.514 -10.226 -1.454 1.00 0.00 O ATOM 181 CB ASP A 11 -4.683 -13.164 0.058 1.00 0.00 C ATOM 182 CG ASP A 11 -5.794 -13.190 -0.996 1.00 0.00 C ATOM 183 OD1 ASP A 11 -5.764 -12.358 -1.889 1.00 0.00 O ATOM 184 OD2 ASP A 11 -6.659 -14.044 -0.891 1.00 0.00 O ATOM 0 H ASP A 11 -2.668 -12.792 1.464 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.206 -12.407 -1.318 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.240 -14.155 0.155 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.100 -12.904 1.031 1.00 0.00 H new ATOM 189 N MET A 12 -4.430 -10.129 0.739 1.00 0.00 N ATOM 190 CA MET A 12 -5.036 -8.762 0.745 1.00 0.00 C ATOM 191 C MET A 12 -4.098 -7.778 0.034 1.00 0.00 C ATOM 192 O MET A 12 -4.518 -7.003 -0.804 1.00 0.00 O ATOM 193 CB MET A 12 -5.231 -8.312 2.207 1.00 0.00 C ATOM 194 CG MET A 12 -6.425 -9.043 2.838 1.00 0.00 C ATOM 195 SD MET A 12 -7.973 -8.414 2.134 1.00 0.00 S ATOM 196 CE MET A 12 -8.352 -7.192 3.420 1.00 0.00 C ATOM 0 H MET A 12 -4.207 -10.510 1.659 1.00 0.00 H new ATOM 0 HA MET A 12 -5.995 -8.782 0.227 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.327 -8.516 2.781 1.00 0.00 H new ATOM 0 HB3 MET A 12 -5.395 -7.235 2.244 1.00 0.00 H new ATOM 0 HG2 MET A 12 -6.343 -10.115 2.659 1.00 0.00 H new ATOM 0 HG3 MET A 12 -6.421 -8.899 3.918 1.00 0.00 H new ATOM 0 HE1 MET A 12 -9.213 -6.598 3.115 1.00 0.00 H new ATOM 0 HE2 MET A 12 -8.578 -7.705 4.355 1.00 0.00 H new ATOM 0 HE3 MET A 12 -7.493 -6.537 3.564 1.00 0.00 H new ATOM 206 N PHE A 13 -2.832 -7.800 0.359 1.00 0.00 N ATOM 207 CA PHE A 13 -1.877 -6.858 -0.299 1.00 0.00 C ATOM 208 C PHE A 13 -1.624 -7.289 -1.750 1.00 0.00 C ATOM 209 O PHE A 13 -1.593 -6.476 -2.649 1.00 0.00 O ATOM 210 CB PHE A 13 -0.547 -6.848 0.467 1.00 0.00 C ATOM 211 CG PHE A 13 -0.748 -6.238 1.845 1.00 0.00 C ATOM 212 CD1 PHE A 13 -1.046 -4.873 1.961 1.00 0.00 C ATOM 213 CD2 PHE A 13 -0.635 -7.026 3.003 1.00 0.00 C ATOM 214 CE1 PHE A 13 -1.233 -4.300 3.227 1.00 0.00 C ATOM 215 CE2 PHE A 13 -0.822 -6.450 4.266 1.00 0.00 C ATOM 216 CZ PHE A 13 -1.121 -5.088 4.378 1.00 0.00 C ATOM 0 H PHE A 13 -2.418 -8.427 1.049 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.311 -5.858 -0.292 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.164 -7.864 0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.198 -6.277 -0.088 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.132 -4.262 1.074 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.404 -8.078 2.919 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.464 -3.249 3.314 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.735 -7.058 5.154 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.265 -4.645 5.352 1.00 0.00 H new ATOM 226 N THR A 14 -1.427 -8.557 -1.981 1.00 0.00 N ATOM 227 CA THR A 14 -1.154 -9.030 -3.371 1.00 0.00 C ATOM 228 C THR A 14 -2.349 -8.736 -4.276 1.00 0.00 C ATOM 229 O THR A 14 -2.211 -8.178 -5.346 1.00 0.00 O ATOM 230 CB THR A 14 -0.902 -10.546 -3.345 1.00 0.00 C ATOM 231 OG1 THR A 14 0.220 -10.821 -2.522 1.00 0.00 O ATOM 232 CG2 THR A 14 -0.629 -11.063 -4.762 1.00 0.00 C ATOM 0 H THR A 14 -1.443 -9.287 -1.269 1.00 0.00 H new ATOM 0 HA THR A 14 -0.279 -8.509 -3.759 1.00 0.00 H new ATOM 0 HB THR A 14 -1.786 -11.046 -2.949 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.006 -10.599 -1.592 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.452 -12.138 -4.729 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.490 -10.856 -5.397 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.250 -10.563 -5.169 1.00 0.00 H new ATOM 240 N SER A 15 -3.523 -9.111 -3.853 1.00 0.00 N ATOM 241 CA SER A 15 -4.732 -8.867 -4.686 1.00 0.00 C ATOM 242 C SER A 15 -4.977 -7.363 -4.837 1.00 0.00 C ATOM 243 O SER A 15 -5.313 -6.883 -5.903 1.00 0.00 O ATOM 244 CB SER A 15 -5.945 -9.514 -4.020 1.00 0.00 C ATOM 245 OG SER A 15 -5.684 -10.896 -3.818 1.00 0.00 O ATOM 0 H SER A 15 -3.698 -9.578 -2.963 1.00 0.00 H new ATOM 0 HA SER A 15 -4.576 -9.301 -5.673 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.154 -9.028 -3.067 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.829 -9.386 -4.644 1.00 0.00 H new ATOM 0 HG SER A 15 -5.482 -11.056 -2.872 1.00 0.00 H new ATOM 251 N ALA A 16 -4.827 -6.617 -3.778 1.00 0.00 N ATOM 252 CA ALA A 16 -5.068 -5.148 -3.856 1.00 0.00 C ATOM 253 C ALA A 16 -3.961 -4.458 -4.659 1.00 0.00 C ATOM 254 O ALA A 16 -4.226 -3.669 -5.542 1.00 0.00 O ATOM 255 CB ALA A 16 -5.094 -4.569 -2.442 1.00 0.00 C ATOM 0 H ALA A 16 -4.547 -6.962 -2.860 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.022 -4.976 -4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.270 -3.494 -2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.893 -5.041 -1.870 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.138 -4.758 -1.954 1.00 0.00 H new ATOM 261 N ILE A 17 -2.723 -4.737 -4.351 1.00 0.00 N ATOM 262 CA ILE A 17 -1.598 -4.084 -5.087 1.00 0.00 C ATOM 263 C ILE A 17 -1.632 -4.496 -6.560 1.00 0.00 C ATOM 264 O ILE A 17 -1.464 -3.683 -7.446 1.00 0.00 O ATOM 265 CB ILE A 17 -0.263 -4.516 -4.445 1.00 0.00 C ATOM 266 CG1 ILE A 17 -0.178 -3.932 -3.020 1.00 0.00 C ATOM 267 CG2 ILE A 17 0.926 -4.003 -5.281 1.00 0.00 C ATOM 268 CD1 ILE A 17 0.986 -4.576 -2.258 1.00 0.00 C ATOM 0 H ILE A 17 -2.440 -5.390 -3.620 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.697 -3.000 -5.027 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.221 -5.605 -4.407 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.039 -2.852 -3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.113 -4.109 -2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.860 -4.316 -4.815 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.867 -4.415 -6.288 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.893 -2.915 -5.332 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.039 -4.158 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.828 -5.653 -2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.920 -4.376 -2.783 1.00 0.00 H new ATOM 280 N GLU A 18 -1.839 -5.752 -6.827 1.00 0.00 N ATOM 281 CA GLU A 18 -1.868 -6.218 -8.239 1.00 0.00 C ATOM 282 C GLU A 18 -3.066 -5.597 -8.964 1.00 0.00 C ATOM 283 O GLU A 18 -3.006 -5.303 -10.142 1.00 0.00 O ATOM 284 CB GLU A 18 -1.978 -7.746 -8.250 1.00 0.00 C ATOM 285 CG GLU A 18 -1.791 -8.288 -9.674 1.00 0.00 C ATOM 286 CD GLU A 18 -0.341 -8.082 -10.128 1.00 0.00 C ATOM 287 OE1 GLU A 18 0.510 -7.915 -9.270 1.00 0.00 O ATOM 288 OE2 GLU A 18 -0.111 -8.095 -11.326 1.00 0.00 O ATOM 0 H GLU A 18 -1.990 -6.478 -6.127 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.956 -5.913 -8.752 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.225 -8.176 -7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.951 -8.049 -7.864 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.043 -9.348 -9.704 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.470 -7.779 -10.358 1.00 0.00 H new ATOM 295 N ALA A 19 -4.153 -5.393 -8.274 1.00 0.00 N ATOM 296 CA ALA A 19 -5.347 -4.792 -8.933 1.00 0.00 C ATOM 297 C ALA A 19 -5.036 -3.359 -9.376 1.00 0.00 C ATOM 298 O ALA A 19 -5.452 -2.925 -10.433 1.00 0.00 O ATOM 299 CB ALA A 19 -6.517 -4.771 -7.947 1.00 0.00 C ATOM 0 H ALA A 19 -4.267 -5.615 -7.285 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.609 -5.390 -9.806 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.391 -4.332 -8.428 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.748 -5.790 -7.635 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.247 -4.177 -7.074 1.00 0.00 H new ATOM 305 N VAL A 20 -4.312 -2.617 -8.567 1.00 0.00 N ATOM 306 CA VAL A 20 -3.965 -1.194 -8.914 1.00 0.00 C ATOM 307 C VAL A 20 -2.528 -1.117 -9.437 1.00 0.00 C ATOM 308 O VAL A 20 -1.940 -0.056 -9.478 1.00 0.00 O ATOM 309 CB VAL A 20 -4.111 -0.307 -7.665 1.00 0.00 C ATOM 310 CG1 VAL A 20 -5.531 -0.439 -7.111 1.00 0.00 C ATOM 311 CG2 VAL A 20 -3.091 -0.721 -6.595 1.00 0.00 C ATOM 0 H VAL A 20 -3.942 -2.938 -7.672 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.644 -0.841 -9.690 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.923 0.731 -7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.636 0.189 -6.226 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.248 -0.122 -7.868 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.722 -1.478 -6.843 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.206 -0.085 -5.717 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.260 -1.761 -6.314 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.082 -0.612 -6.993 1.00 0.00 H new ATOM 321 N ALA A 21 -1.948 -2.225 -9.829 1.00 0.00 N ATOM 322 CA ALA A 21 -0.547 -2.196 -10.355 1.00 0.00 C ATOM 323 C ALA A 21 -0.588 -1.855 -11.852 1.00 0.00 C ATOM 324 O ALA A 21 0.393 -1.964 -12.558 1.00 0.00 O ATOM 325 CB ALA A 21 0.105 -3.566 -10.146 1.00 0.00 C ATOM 0 H ALA A 21 -2.383 -3.147 -9.808 1.00 0.00 H new ATOM 0 HA ALA A 21 0.037 -1.443 -9.825 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.125 -3.546 -10.529 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.121 -3.803 -9.082 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.467 -4.326 -10.678 1.00 0.00 H new ATOM 331 N ARG A 22 -1.733 -1.435 -12.334 1.00 0.00 N ATOM 332 CA ARG A 22 -1.881 -1.072 -13.781 1.00 0.00 C ATOM 333 C ARG A 22 -0.719 -0.179 -14.238 1.00 0.00 C ATOM 334 O ARG A 22 -0.242 0.669 -13.508 1.00 0.00 O ATOM 335 CB ARG A 22 -3.245 -0.358 -14.023 1.00 0.00 C ATOM 336 CG ARG A 22 -3.242 1.148 -13.592 1.00 0.00 C ATOM 337 CD ARG A 22 -3.291 1.266 -12.052 1.00 0.00 C ATOM 338 NE ARG A 22 -2.615 2.515 -11.582 1.00 0.00 N ATOM 339 CZ ARG A 22 -2.815 2.922 -10.343 1.00 0.00 C ATOM 340 NH1 ARG A 22 -3.743 2.377 -9.613 1.00 0.00 N ATOM 341 NH2 ARG A 22 -2.095 3.873 -9.824 1.00 0.00 N ATOM 0 H ARG A 22 -2.582 -1.327 -11.780 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.859 -1.989 -14.370 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.500 -0.425 -15.081 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.025 -0.884 -13.473 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.347 1.640 -13.973 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.099 1.660 -14.030 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.328 1.263 -11.718 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.809 0.398 -11.603 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.009 3.044 -12.209 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.322 1.630 -9.998 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.892 2.696 -8.656 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.362 4.317 -10.377 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.264 4.175 -8.864 1.00 0.00 H new ATOM 355 N ASP A 23 -0.283 -0.366 -15.450 1.00 0.00 N ATOM 356 CA ASP A 23 0.833 0.452 -16.002 1.00 0.00 C ATOM 357 C ASP A 23 2.064 0.344 -15.098 1.00 0.00 C ATOM 358 O ASP A 23 2.909 1.217 -15.079 1.00 0.00 O ATOM 359 CB ASP A 23 0.400 1.922 -16.117 1.00 0.00 C ATOM 360 CG ASP A 23 1.446 2.709 -16.918 1.00 0.00 C ATOM 361 OD1 ASP A 23 2.286 2.083 -17.543 1.00 0.00 O ATOM 362 OD2 ASP A 23 1.390 3.927 -16.886 1.00 0.00 O ATOM 0 H ASP A 23 -0.658 -1.063 -16.093 1.00 0.00 H new ATOM 0 HA ASP A 23 1.087 0.075 -16.993 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.572 1.988 -16.607 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.286 2.356 -15.124 1.00 0.00 H new ATOM 367 N SER A 24 2.180 -0.721 -14.349 1.00 0.00 N ATOM 368 CA SER A 24 3.362 -0.885 -13.451 1.00 0.00 C ATOM 369 C SER A 24 3.538 0.368 -12.585 1.00 0.00 C ATOM 370 O SER A 24 2.595 1.085 -12.312 1.00 0.00 O ATOM 371 CB SER A 24 4.619 -1.103 -14.301 1.00 0.00 C ATOM 372 OG SER A 24 4.368 -2.120 -15.260 1.00 0.00 O ATOM 0 H SER A 24 1.506 -1.486 -14.320 1.00 0.00 H new ATOM 0 HA SER A 24 3.205 -1.747 -12.802 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.898 -0.176 -14.802 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.457 -1.386 -13.665 1.00 0.00 H new ATOM 0 HG SER A 24 5.170 -2.260 -15.806 1.00 0.00 H new ATOM 378 N GLY A 25 4.740 0.637 -12.158 1.00 0.00 N ATOM 379 CA GLY A 25 4.991 1.845 -11.316 1.00 0.00 C ATOM 380 C GLY A 25 4.515 1.578 -9.885 1.00 0.00 C ATOM 381 O GLY A 25 3.717 2.316 -9.342 1.00 0.00 O ATOM 0 H GLY A 25 5.565 0.071 -12.356 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.054 2.088 -11.318 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.466 2.706 -11.731 1.00 0.00 H new ATOM 385 N TRP A 26 5.026 0.539 -9.268 1.00 0.00 N ATOM 386 CA TRP A 26 4.638 0.205 -7.858 1.00 0.00 C ATOM 387 C TRP A 26 3.118 0.368 -7.660 1.00 0.00 C ATOM 388 O TRP A 26 2.330 0.027 -8.520 1.00 0.00 O ATOM 389 CB TRP A 26 5.393 1.144 -6.906 1.00 0.00 C ATOM 390 CG TRP A 26 6.866 0.975 -7.102 1.00 0.00 C ATOM 391 CD1 TRP A 26 7.553 1.349 -8.207 1.00 0.00 C ATOM 392 CD2 TRP A 26 7.842 0.410 -6.184 1.00 0.00 C ATOM 393 NE1 TRP A 26 8.888 1.033 -8.028 1.00 0.00 N ATOM 394 CE2 TRP A 26 9.116 0.455 -6.796 1.00 0.00 C ATOM 395 CE3 TRP A 26 7.745 -0.135 -4.891 1.00 0.00 C ATOM 396 CZ2 TRP A 26 10.254 -0.027 -6.150 1.00 0.00 C ATOM 397 CZ3 TRP A 26 8.888 -0.617 -4.237 1.00 0.00 C ATOM 398 CH2 TRP A 26 10.139 -0.564 -4.865 1.00 0.00 C ATOM 0 H TRP A 26 5.703 -0.100 -9.685 1.00 0.00 H new ATOM 0 HA TRP A 26 4.898 -0.832 -7.647 1.00 0.00 H new ATOM 0 HB2 TRP A 26 5.107 2.178 -7.096 1.00 0.00 H new ATOM 0 HB3 TRP A 26 5.125 0.923 -5.873 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.129 1.817 -9.083 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.615 1.206 -8.722 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.785 -0.183 -4.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.216 0.014 -6.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.803 -1.032 -3.243 1.00 0.00 H new ATOM 0 HH2 TRP A 26 11.015 -0.938 -4.356 1.00 0.00 H new ATOM 409 N ALA A 27 2.703 0.908 -6.538 1.00 0.00 N ATOM 410 CA ALA A 27 1.246 1.114 -6.286 1.00 0.00 C ATOM 411 C ALA A 27 1.081 2.198 -5.212 1.00 0.00 C ATOM 412 O ALA A 27 1.801 2.229 -4.235 1.00 0.00 O ATOM 413 CB ALA A 27 0.622 -0.200 -5.802 1.00 0.00 C ATOM 0 H ALA A 27 3.317 1.216 -5.784 1.00 0.00 H new ATOM 0 HA ALA A 27 0.746 1.427 -7.203 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.442 -0.051 -5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.754 -0.968 -6.564 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.109 -0.516 -4.880 1.00 0.00 H new ATOM 419 N GLU A 28 0.136 3.084 -5.383 1.00 0.00 N ATOM 420 CA GLU A 28 -0.076 4.159 -4.370 1.00 0.00 C ATOM 421 C GLU A 28 -0.736 3.558 -3.125 1.00 0.00 C ATOM 422 O GLU A 28 -1.759 2.904 -3.206 1.00 0.00 O ATOM 423 CB GLU A 28 -0.974 5.252 -4.961 1.00 0.00 C ATOM 424 CG GLU A 28 -0.225 5.972 -6.087 1.00 0.00 C ATOM 425 CD GLU A 28 -1.141 7.002 -6.755 1.00 0.00 C ATOM 426 OE1 GLU A 28 -2.284 7.113 -6.341 1.00 0.00 O ATOM 427 OE2 GLU A 28 -0.683 7.661 -7.674 1.00 0.00 O ATOM 0 H GLU A 28 -0.499 3.110 -6.181 1.00 0.00 H new ATOM 0 HA GLU A 28 0.883 4.597 -4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.895 4.813 -5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.258 5.963 -4.186 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.660 6.467 -5.687 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.120 5.248 -6.825 1.00 0.00 H new ATOM 434 N LEU A 29 -0.140 3.750 -1.976 1.00 0.00 N ATOM 435 CA LEU A 29 -0.701 3.161 -0.722 1.00 0.00 C ATOM 436 C LEU A 29 -2.172 3.597 -0.574 1.00 0.00 C ATOM 437 O LEU A 29 -3.022 2.824 -0.182 1.00 0.00 O ATOM 438 CB LEU A 29 0.139 3.671 0.481 1.00 0.00 C ATOM 439 CG LEU A 29 0.147 2.663 1.655 1.00 0.00 C ATOM 440 CD1 LEU A 29 -1.286 2.248 2.016 1.00 0.00 C ATOM 441 CD2 LEU A 29 0.993 1.404 1.302 1.00 0.00 C ATOM 0 H LEU A 29 0.715 4.292 -1.852 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.660 2.072 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.163 3.856 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.263 4.624 0.825 1.00 0.00 H new ATOM 0 HG LEU A 29 0.601 3.154 2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.262 1.539 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.857 3.129 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.758 1.781 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.983 0.711 2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.570 0.915 0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.020 1.703 1.091 1.00 0.00 H new ATOM 453 N SER A 30 -2.483 4.818 -0.905 1.00 0.00 N ATOM 454 CA SER A 30 -3.898 5.272 -0.789 1.00 0.00 C ATOM 455 C SER A 30 -4.775 4.393 -1.683 1.00 0.00 C ATOM 456 O SER A 30 -5.841 3.957 -1.294 1.00 0.00 O ATOM 457 CB SER A 30 -4.002 6.724 -1.242 1.00 0.00 C ATOM 458 OG SER A 30 -5.344 7.163 -1.102 1.00 0.00 O ATOM 0 H SER A 30 -1.825 5.518 -1.249 1.00 0.00 H new ATOM 0 HA SER A 30 -4.230 5.193 0.246 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.338 7.351 -0.647 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.683 6.817 -2.280 1.00 0.00 H new ATOM 0 HG SER A 30 -5.415 8.097 -1.391 1.00 0.00 H new ATOM 464 N ALA A 31 -4.329 4.127 -2.880 1.00 0.00 N ATOM 465 CA ALA A 31 -5.131 3.274 -3.800 1.00 0.00 C ATOM 466 C ALA A 31 -5.231 1.854 -3.235 1.00 0.00 C ATOM 467 O ALA A 31 -6.268 1.224 -3.303 1.00 0.00 O ATOM 468 CB ALA A 31 -4.457 3.224 -5.173 1.00 0.00 C ATOM 0 H ALA A 31 -3.444 4.464 -3.260 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.131 3.697 -3.898 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.046 2.599 -5.845 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.389 4.232 -5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.456 2.805 -5.072 1.00 0.00 H new ATOM 474 N VAL A 32 -4.161 1.338 -2.688 1.00 0.00 N ATOM 475 CA VAL A 32 -4.204 -0.046 -2.132 1.00 0.00 C ATOM 476 C VAL A 32 -5.197 -0.103 -0.965 1.00 0.00 C ATOM 477 O VAL A 32 -6.061 -0.956 -0.915 1.00 0.00 O ATOM 478 CB VAL A 32 -2.798 -0.431 -1.639 1.00 0.00 C ATOM 479 CG1 VAL A 32 -2.821 -1.817 -0.978 1.00 0.00 C ATOM 480 CG2 VAL A 32 -1.833 -0.448 -2.824 1.00 0.00 C ATOM 0 H VAL A 32 -3.263 1.814 -2.603 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.526 -0.744 -2.905 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.469 0.303 -0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.819 -2.073 -0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.503 -1.803 -0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.158 -2.560 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.836 -0.720 -2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.173 -1.177 -3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.801 0.541 -3.281 1.00 0.00 H new ATOM 490 N GLY A 33 -5.075 0.790 -0.023 1.00 0.00 N ATOM 491 CA GLY A 33 -6.005 0.770 1.141 1.00 0.00 C ATOM 492 C GLY A 33 -7.441 1.008 0.670 1.00 0.00 C ATOM 493 O GLY A 33 -8.368 0.368 1.127 1.00 0.00 O ATOM 0 H GLY A 33 -4.374 1.531 -0.008 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.937 -0.189 1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.718 1.538 1.859 1.00 0.00 H new ATOM 497 N SER A 34 -7.636 1.923 -0.239 1.00 0.00 N ATOM 498 CA SER A 34 -9.014 2.199 -0.731 1.00 0.00 C ATOM 499 C SER A 34 -9.583 0.945 -1.404 1.00 0.00 C ATOM 500 O SER A 34 -10.721 0.573 -1.190 1.00 0.00 O ATOM 501 CB SER A 34 -8.973 3.343 -1.746 1.00 0.00 C ATOM 502 OG SER A 34 -10.203 3.386 -2.457 1.00 0.00 O ATOM 0 H SER A 34 -6.901 2.491 -0.662 1.00 0.00 H new ATOM 0 HA SER A 34 -9.648 2.478 0.111 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.802 4.291 -1.236 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.144 3.200 -2.439 1.00 0.00 H new ATOM 0 HG SER A 34 -10.180 4.119 -3.107 1.00 0.00 H new ATOM 508 N TYR A 35 -8.801 0.292 -2.219 1.00 0.00 N ATOM 509 CA TYR A 35 -9.298 -0.930 -2.916 1.00 0.00 C ATOM 510 C TYR A 35 -9.765 -1.953 -1.876 1.00 0.00 C ATOM 511 O TYR A 35 -10.804 -2.566 -2.015 1.00 0.00 O ATOM 512 CB TYR A 35 -8.167 -1.536 -3.753 1.00 0.00 C ATOM 513 CG TYR A 35 -8.677 -2.755 -4.496 1.00 0.00 C ATOM 514 CD1 TYR A 35 -9.322 -2.601 -5.729 1.00 0.00 C ATOM 515 CD2 TYR A 35 -8.504 -4.039 -3.957 1.00 0.00 C ATOM 516 CE1 TYR A 35 -9.798 -3.722 -6.420 1.00 0.00 C ATOM 517 CE2 TYR A 35 -8.978 -5.160 -4.648 1.00 0.00 C ATOM 518 CZ TYR A 35 -9.624 -5.001 -5.880 1.00 0.00 C ATOM 519 OH TYR A 35 -10.094 -6.106 -6.559 1.00 0.00 O ATOM 0 H TYR A 35 -7.838 0.551 -2.433 1.00 0.00 H new ATOM 0 HA TYR A 35 -10.131 -0.665 -3.567 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.790 -0.798 -4.461 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.333 -1.814 -3.108 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.453 -1.614 -6.149 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.004 -4.162 -3.008 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.299 -3.599 -7.369 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.846 -6.147 -4.231 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.890 -6.916 -6.046 1.00 0.00 H new ATOM 529 N LEU A 36 -9.010 -2.131 -0.828 1.00 0.00 N ATOM 530 CA LEU A 36 -9.414 -3.106 0.223 1.00 0.00 C ATOM 531 C LEU A 36 -10.726 -2.639 0.855 1.00 0.00 C ATOM 532 O LEU A 36 -11.585 -3.435 1.170 1.00 0.00 O ATOM 533 CB LEU A 36 -8.317 -3.196 1.296 1.00 0.00 C ATOM 534 CG LEU A 36 -7.043 -3.852 0.715 1.00 0.00 C ATOM 535 CD1 LEU A 36 -5.886 -3.674 1.709 1.00 0.00 C ATOM 536 CD2 LEU A 36 -7.261 -5.361 0.436 1.00 0.00 C ATOM 0 H LEU A 36 -8.131 -1.644 -0.654 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.553 -4.092 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.082 -2.199 1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.677 -3.777 2.145 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.806 -3.366 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.985 -4.135 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.708 -2.611 1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.143 -4.149 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.346 -5.791 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.519 -5.869 1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.072 -5.485 -0.282 1.00 0.00 H new ATOM 548 N ALA A 37 -10.893 -1.359 1.046 1.00 0.00 N ATOM 549 CA ALA A 37 -12.157 -0.863 1.667 1.00 0.00 C ATOM 550 C ALA A 37 -13.365 -1.401 0.884 1.00 0.00 C ATOM 551 O ALA A 37 -14.315 -1.894 1.459 1.00 0.00 O ATOM 552 CB ALA A 37 -12.169 0.668 1.648 1.00 0.00 C ATOM 0 H ALA A 37 -10.214 -0.638 0.801 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.215 -1.212 2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.092 1.030 2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -11.315 1.046 2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.108 1.020 0.618 1.00 0.00 H new ATOM 558 N LYS A 38 -13.335 -1.317 -0.418 1.00 0.00 N ATOM 559 CA LYS A 38 -14.484 -1.833 -1.222 1.00 0.00 C ATOM 560 C LYS A 38 -14.609 -3.351 -1.008 1.00 0.00 C ATOM 561 O LYS A 38 -15.695 -3.881 -0.898 1.00 0.00 O ATOM 562 CB LYS A 38 -14.257 -1.522 -2.720 1.00 0.00 C ATOM 563 CG LYS A 38 -14.663 -0.074 -3.051 1.00 0.00 C ATOM 564 CD LYS A 38 -13.818 0.915 -2.247 1.00 0.00 C ATOM 565 CE LYS A 38 -14.114 2.341 -2.716 1.00 0.00 C ATOM 566 NZ LYS A 38 -13.315 3.306 -1.907 1.00 0.00 N ATOM 0 H LYS A 38 -12.569 -0.916 -0.960 1.00 0.00 H new ATOM 0 HA LYS A 38 -15.405 -1.347 -0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.208 -1.676 -2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.836 -2.214 -3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.535 0.111 -4.117 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.719 0.074 -2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.039 0.818 -1.184 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.759 0.692 -2.374 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.869 2.446 -3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.178 2.556 -2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.660 4.272 -2.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.414 3.078 -0.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.313 3.242 -2.180 1.00 0.00 H new ATOM 580 N ASN A 39 -13.505 -4.054 -0.954 1.00 0.00 N ATOM 581 CA ASN A 39 -13.560 -5.539 -0.750 1.00 0.00 C ATOM 582 C ASN A 39 -13.513 -5.846 0.750 1.00 0.00 C ATOM 583 O ASN A 39 -13.409 -6.985 1.163 1.00 0.00 O ATOM 584 CB ASN A 39 -12.358 -6.182 -1.444 1.00 0.00 C ATOM 585 CG ASN A 39 -12.481 -5.988 -2.958 1.00 0.00 C ATOM 586 OD1 ASN A 39 -13.491 -6.326 -3.545 1.00 0.00 O ATOM 587 ND2 ASN A 39 -11.492 -5.453 -3.619 1.00 0.00 N ATOM 0 H ASN A 39 -12.566 -3.665 -1.042 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.483 -5.938 -1.171 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.433 -5.733 -1.083 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.312 -7.244 -1.205 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.566 -5.318 -4.627 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.644 -5.169 -3.128 1.00 0.00 H new ATOM 594 N ASP A 40 -13.583 -4.831 1.568 1.00 0.00 N ATOM 595 CA ASP A 40 -13.537 -5.039 3.044 1.00 0.00 C ATOM 596 C ASP A 40 -14.016 -3.759 3.741 1.00 0.00 C ATOM 597 O ASP A 40 -13.297 -3.173 4.523 1.00 0.00 O ATOM 598 CB ASP A 40 -12.093 -5.340 3.470 1.00 0.00 C ATOM 599 CG ASP A 40 -12.065 -5.770 4.939 1.00 0.00 C ATOM 600 OD1 ASP A 40 -13.032 -5.502 5.634 1.00 0.00 O ATOM 601 OD2 ASP A 40 -11.077 -6.359 5.344 1.00 0.00 O ATOM 0 H ASP A 40 -13.671 -3.858 1.274 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.179 -5.875 3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.676 -6.128 2.843 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.471 -4.457 3.328 1.00 0.00 H new ATOM 606 N PRO A 41 -15.219 -3.312 3.452 1.00 0.00 N ATOM 607 CA PRO A 41 -15.768 -2.065 4.059 1.00 0.00 C ATOM 608 C PRO A 41 -15.864 -2.165 5.584 1.00 0.00 C ATOM 609 O PRO A 41 -15.592 -3.191 6.168 1.00 0.00 O ATOM 610 CB PRO A 41 -17.158 -1.891 3.394 1.00 0.00 C ATOM 611 CG PRO A 41 -17.514 -3.259 2.880 1.00 0.00 C ATOM 612 CD PRO A 41 -16.183 -3.932 2.520 1.00 0.00 C ATOM 0 HA PRO A 41 -15.123 -1.204 3.884 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -17.897 -1.533 4.111 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -17.120 -1.162 2.584 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -18.050 -3.833 3.636 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -18.166 -3.192 2.009 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -16.231 -5.013 2.653 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -15.910 -3.750 1.481 1.00 0.00 H new ATOM 620 N SER A 42 -16.220 -1.086 6.224 1.00 0.00 N ATOM 621 CA SER A 42 -16.310 -1.080 7.711 1.00 0.00 C ATOM 622 C SER A 42 -14.903 -1.261 8.305 1.00 0.00 C ATOM 623 O SER A 42 -14.706 -1.158 9.499 1.00 0.00 O ATOM 624 CB SER A 42 -17.248 -2.212 8.188 1.00 0.00 C ATOM 625 OG SER A 42 -18.303 -2.376 7.249 1.00 0.00 O ATOM 0 H SER A 42 -16.455 -0.200 5.776 1.00 0.00 H new ATOM 0 HA SER A 42 -16.720 -0.128 8.049 1.00 0.00 H new ATOM 0 HB2 SER A 42 -16.690 -3.143 8.291 1.00 0.00 H new ATOM 0 HB3 SER A 42 -17.654 -1.973 9.171 1.00 0.00 H new ATOM 0 HG SER A 42 -18.898 -3.095 7.548 1.00 0.00 H new ATOM 631 N PHE A 43 -13.915 -1.519 7.472 1.00 0.00 N ATOM 632 CA PHE A 43 -12.512 -1.695 7.971 1.00 0.00 C ATOM 633 C PHE A 43 -11.783 -0.351 7.869 1.00 0.00 C ATOM 634 O PHE A 43 -11.538 0.304 8.859 1.00 0.00 O ATOM 635 CB PHE A 43 -11.797 -2.752 7.108 1.00 0.00 C ATOM 636 CG PHE A 43 -10.452 -3.111 7.727 1.00 0.00 C ATOM 637 CD1 PHE A 43 -10.414 -3.756 8.972 1.00 0.00 C ATOM 638 CD2 PHE A 43 -9.247 -2.809 7.064 1.00 0.00 C ATOM 639 CE1 PHE A 43 -9.188 -4.096 9.552 1.00 0.00 C ATOM 640 CE2 PHE A 43 -8.022 -3.152 7.649 1.00 0.00 C ATOM 641 CZ PHE A 43 -7.994 -3.795 8.892 1.00 0.00 C ATOM 0 H PHE A 43 -14.024 -1.615 6.462 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.517 -2.028 9.009 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -12.417 -3.644 7.024 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.651 -2.370 6.098 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.335 -3.991 9.485 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.268 -2.313 6.105 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.164 -4.592 10.511 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.098 -2.920 7.141 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.048 -4.059 9.341 1.00 0.00 H new ATOM 651 N ASP A 44 -11.421 0.042 6.673 1.00 0.00 N ATOM 652 CA ASP A 44 -10.695 1.332 6.477 1.00 0.00 C ATOM 653 C ASP A 44 -9.329 1.246 7.186 1.00 0.00 C ATOM 654 O ASP A 44 -9.229 1.554 8.354 1.00 0.00 O ATOM 655 CB ASP A 44 -11.515 2.498 7.075 1.00 0.00 C ATOM 656 CG ASP A 44 -10.985 3.834 6.543 1.00 0.00 C ATOM 657 OD1 ASP A 44 -9.872 3.852 6.041 1.00 0.00 O ATOM 658 OD2 ASP A 44 -11.702 4.814 6.648 1.00 0.00 O ATOM 0 H ASP A 44 -11.600 -0.482 5.816 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.553 1.512 5.411 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.568 2.385 6.815 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.451 2.479 8.163 1.00 0.00 H new ATOM 663 N PRO A 45 -8.281 0.825 6.507 1.00 0.00 N ATOM 664 CA PRO A 45 -6.928 0.707 7.136 1.00 0.00 C ATOM 665 C PRO A 45 -6.493 2.022 7.793 1.00 0.00 C ATOM 666 O PRO A 45 -5.888 2.035 8.848 1.00 0.00 O ATOM 667 CB PRO A 45 -6.002 0.333 5.955 1.00 0.00 C ATOM 668 CG PRO A 45 -6.914 -0.305 4.950 1.00 0.00 C ATOM 669 CD PRO A 45 -8.251 0.422 5.087 1.00 0.00 C ATOM 0 HA PRO A 45 -6.905 -0.031 7.938 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.510 1.214 5.542 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.216 -0.353 6.269 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.515 -0.205 3.940 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.026 -1.372 5.144 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.308 1.285 4.424 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.089 -0.229 4.837 1.00 0.00 H new ATOM 677 N ARG A 46 -6.803 3.121 7.172 1.00 0.00 N ATOM 678 CA ARG A 46 -6.417 4.441 7.743 1.00 0.00 C ATOM 679 C ARG A 46 -6.959 4.571 9.169 1.00 0.00 C ATOM 680 O ARG A 46 -6.304 5.107 10.043 1.00 0.00 O ATOM 681 CB ARG A 46 -6.988 5.553 6.850 1.00 0.00 C ATOM 682 CG ARG A 46 -6.208 5.583 5.529 1.00 0.00 C ATOM 683 CD ARG A 46 -6.869 6.548 4.525 1.00 0.00 C ATOM 684 NE ARG A 46 -7.310 7.804 5.211 1.00 0.00 N ATOM 685 CZ ARG A 46 -7.551 8.890 4.515 1.00 0.00 C ATOM 686 NH1 ARG A 46 -7.357 8.907 3.227 1.00 0.00 N ATOM 687 NH2 ARG A 46 -7.993 9.962 5.115 1.00 0.00 N ATOM 0 H ARG A 46 -7.310 3.164 6.288 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.331 4.527 7.780 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.046 5.376 6.658 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.912 6.517 7.354 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.180 5.893 5.715 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.166 4.580 5.103 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.165 6.790 3.729 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.726 6.063 4.057 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.424 7.815 6.225 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.015 8.072 2.752 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.547 9.756 2.694 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.150 9.954 6.123 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.181 10.807 4.576 1.00 0.00 H new ATOM 701 N ASN A 47 -8.148 4.100 9.417 1.00 0.00 N ATOM 702 CA ASN A 47 -8.729 4.213 10.791 1.00 0.00 C ATOM 703 C ASN A 47 -7.726 3.711 11.841 1.00 0.00 C ATOM 704 O ASN A 47 -7.534 4.338 12.864 1.00 0.00 O ATOM 705 CB ASN A 47 -10.005 3.363 10.860 1.00 0.00 C ATOM 706 CG ASN A 47 -10.624 3.452 12.257 1.00 0.00 C ATOM 707 OD1 ASN A 47 -10.025 3.983 13.171 1.00 0.00 O ATOM 708 ND2 ASN A 47 -11.810 2.944 12.462 1.00 0.00 N ATOM 0 H ASN A 47 -8.746 3.641 8.730 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.958 5.258 10.999 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.721 3.708 10.114 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.773 2.325 10.623 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -12.233 2.993 13.389 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -12.313 2.498 11.695 1.00 0.00 H new ATOM 715 N TRP A 48 -7.082 2.593 11.589 1.00 0.00 N ATOM 716 CA TRP A 48 -6.072 2.037 12.560 1.00 0.00 C ATOM 717 C TRP A 48 -4.688 2.032 11.901 1.00 0.00 C ATOM 718 O TRP A 48 -3.775 1.376 12.361 1.00 0.00 O ATOM 719 CB TRP A 48 -6.475 0.607 12.960 1.00 0.00 C ATOM 720 CG TRP A 48 -6.319 -0.331 11.803 1.00 0.00 C ATOM 721 CD1 TRP A 48 -7.237 -0.524 10.830 1.00 0.00 C ATOM 722 CD2 TRP A 48 -5.198 -1.211 11.491 1.00 0.00 C ATOM 723 NE1 TRP A 48 -6.752 -1.464 9.939 1.00 0.00 N ATOM 724 CE2 TRP A 48 -5.498 -1.915 10.303 1.00 0.00 C ATOM 725 CE3 TRP A 48 -3.963 -1.459 12.117 1.00 0.00 C ATOM 726 CZ2 TRP A 48 -4.603 -2.838 9.755 1.00 0.00 C ATOM 727 CZ3 TRP A 48 -3.062 -2.387 11.569 1.00 0.00 C ATOM 728 CH2 TRP A 48 -3.381 -3.073 10.389 1.00 0.00 C ATOM 0 H TRP A 48 -7.212 2.035 10.745 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.040 2.657 13.456 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.859 0.270 13.793 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.509 0.598 13.305 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.193 -0.026 10.760 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.258 -1.785 9.114 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.706 -0.933 13.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -4.855 -3.366 8.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.118 -2.573 12.060 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.683 -3.783 9.971 1.00 0.00 H new ATOM 739 N GLY A 49 -4.523 2.760 10.830 1.00 0.00 N ATOM 740 CA GLY A 49 -3.199 2.799 10.143 1.00 0.00 C ATOM 741 C GLY A 49 -3.130 4.031 9.240 1.00 0.00 C ATOM 742 O GLY A 49 -3.002 3.925 8.036 1.00 0.00 O ATOM 0 H GLY A 49 -5.250 3.331 10.399 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.396 2.829 10.879 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.057 1.894 9.553 1.00 0.00 H new ATOM 746 N HIS A 50 -3.210 5.198 9.817 1.00 0.00 N ATOM 747 CA HIS A 50 -3.147 6.447 9.003 1.00 0.00 C ATOM 748 C HIS A 50 -1.735 6.609 8.445 1.00 0.00 C ATOM 749 O HIS A 50 -0.843 7.080 9.120 1.00 0.00 O ATOM 750 CB HIS A 50 -3.483 7.640 9.897 1.00 0.00 C ATOM 751 CG HIS A 50 -3.512 8.899 9.077 1.00 0.00 C ATOM 752 ND1 HIS A 50 -2.516 9.859 9.161 1.00 0.00 N ATOM 753 CD2 HIS A 50 -4.415 9.377 8.160 1.00 0.00 C ATOM 754 CE1 HIS A 50 -2.840 10.854 8.318 1.00 0.00 C ATOM 755 NE2 HIS A 50 -3.988 10.611 7.682 1.00 0.00 N ATOM 0 H HIS A 50 -3.317 5.342 10.821 1.00 0.00 H new ATOM 0 HA HIS A 50 -3.860 6.394 8.180 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -4.449 7.486 10.377 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -2.743 7.730 10.692 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -5.320 8.871 7.856 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.244 11.743 8.173 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -4.452 11.203 6.993 1.00 0.00 H new ATOM 763 N GLY A 51 -1.531 6.232 7.212 1.00 0.00 N ATOM 764 CA GLY A 51 -0.176 6.360 6.602 1.00 0.00 C ATOM 765 C GLY A 51 0.801 5.385 7.279 1.00 0.00 C ATOM 766 O GLY A 51 1.644 4.790 6.631 1.00 0.00 O ATOM 0 H GLY A 51 -2.246 5.840 6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.228 6.152 5.533 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.185 7.383 6.710 1.00 0.00 H new ATOM 770 N ARG A 52 0.698 5.218 8.575 1.00 0.00 N ATOM 771 CA ARG A 52 1.624 4.293 9.285 1.00 0.00 C ATOM 772 C ARG A 52 1.348 2.859 8.842 1.00 0.00 C ATOM 773 O ARG A 52 2.016 1.931 9.255 1.00 0.00 O ATOM 774 CB ARG A 52 1.430 4.431 10.808 1.00 0.00 C ATOM 775 CG ARG A 52 1.720 5.882 11.211 1.00 0.00 C ATOM 776 CD ARG A 52 1.769 6.046 12.743 1.00 0.00 C ATOM 777 NE ARG A 52 0.421 5.892 13.372 1.00 0.00 N ATOM 778 CZ ARG A 52 -0.485 6.834 13.261 1.00 0.00 C ATOM 779 NH1 ARG A 52 -0.339 7.804 12.401 1.00 0.00 N ATOM 780 NH2 ARG A 52 -1.554 6.793 14.014 1.00 0.00 N ATOM 0 H ARG A 52 0.012 5.684 9.168 1.00 0.00 H new ATOM 0 HA ARG A 52 2.655 4.547 9.040 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.412 4.158 11.086 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.098 3.751 11.337 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.670 6.197 10.780 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.951 6.535 10.799 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.451 5.307 13.164 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.172 7.028 12.989 1.00 0.00 H new ATOM 0 HE ARG A 52 0.203 5.043 13.894 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.488 7.836 11.804 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.051 8.530 12.325 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.679 6.032 14.682 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.263 7.522 13.933 1.00 0.00 H new ATOM 794 N LEU A 53 0.380 2.672 7.988 1.00 0.00 N ATOM 795 CA LEU A 53 0.070 1.303 7.498 1.00 0.00 C ATOM 796 C LEU A 53 1.293 0.762 6.745 1.00 0.00 C ATOM 797 O LEU A 53 1.666 -0.386 6.879 1.00 0.00 O ATOM 798 CB LEU A 53 -1.152 1.366 6.549 1.00 0.00 C ATOM 799 CG LEU A 53 -1.820 -0.035 6.411 1.00 0.00 C ATOM 800 CD1 LEU A 53 -2.791 -0.292 7.580 1.00 0.00 C ATOM 801 CD2 LEU A 53 -2.594 -0.118 5.080 1.00 0.00 C ATOM 0 H LEU A 53 -0.211 3.412 7.608 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.164 0.645 8.335 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.878 2.084 6.931 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.838 1.722 5.568 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.036 -0.792 6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.247 -1.275 7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.244 -0.254 8.522 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.569 0.471 7.581 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.059 -1.100 4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.366 0.652 5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.906 0.035 4.249 1.00 0.00 H new ATOM 813 N SER A 54 1.912 1.585 5.946 1.00 0.00 N ATOM 814 CA SER A 54 3.100 1.126 5.175 1.00 0.00 C ATOM 815 C SER A 54 4.208 0.713 6.145 1.00 0.00 C ATOM 816 O SER A 54 5.041 -0.118 5.839 1.00 0.00 O ATOM 817 CB SER A 54 3.598 2.260 4.282 1.00 0.00 C ATOM 818 OG SER A 54 3.944 3.375 5.092 1.00 0.00 O ATOM 0 H SER A 54 1.646 2.558 5.793 1.00 0.00 H new ATOM 0 HA SER A 54 2.824 0.273 4.555 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.463 1.932 3.705 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.826 2.541 3.566 1.00 0.00 H new ATOM 0 HG SER A 54 3.128 3.799 5.430 1.00 0.00 H new ATOM 824 N GLN A 55 4.225 1.291 7.319 1.00 0.00 N ATOM 825 CA GLN A 55 5.277 0.935 8.323 1.00 0.00 C ATOM 826 C GLN A 55 4.870 -0.351 9.052 1.00 0.00 C ATOM 827 O GLN A 55 5.698 -1.158 9.411 1.00 0.00 O ATOM 828 CB GLN A 55 5.420 2.072 9.341 1.00 0.00 C ATOM 829 CG GLN A 55 5.865 3.357 8.631 1.00 0.00 C ATOM 830 CD GLN A 55 7.286 3.191 8.087 1.00 0.00 C ATOM 831 OE1 GLN A 55 8.186 2.808 8.808 1.00 0.00 O ATOM 832 NE2 GLN A 55 7.528 3.464 6.834 1.00 0.00 N ATOM 0 H GLN A 55 3.555 1.996 7.628 1.00 0.00 H new ATOM 0 HA GLN A 55 6.228 0.782 7.813 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.470 2.238 9.850 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.147 1.798 10.105 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.179 3.587 7.815 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.829 4.197 9.325 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.774 3.786 6.227 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.471 3.356 6.461 1.00 0.00 H new ATOM 841 N MET A 56 3.600 -0.538 9.280 1.00 0.00 N ATOM 842 CA MET A 56 3.144 -1.767 9.993 1.00 0.00 C ATOM 843 C MET A 56 3.510 -3.006 9.165 1.00 0.00 C ATOM 844 O MET A 56 3.940 -4.013 9.691 1.00 0.00 O ATOM 845 CB MET A 56 1.623 -1.700 10.189 1.00 0.00 C ATOM 846 CG MET A 56 1.154 -2.838 11.106 1.00 0.00 C ATOM 847 SD MET A 56 1.714 -2.517 12.798 1.00 0.00 S ATOM 848 CE MET A 56 0.646 -3.722 13.626 1.00 0.00 C ATOM 0 H MET A 56 2.858 0.105 9.004 1.00 0.00 H new ATOM 0 HA MET A 56 3.632 -1.832 10.965 1.00 0.00 H new ATOM 0 HB2 MET A 56 1.347 -0.738 10.621 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.122 -1.771 9.224 1.00 0.00 H new ATOM 0 HG2 MET A 56 0.067 -2.917 11.080 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.551 -3.790 10.754 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.829 -3.693 14.700 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.398 -3.478 13.429 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.863 -4.721 13.248 1.00 0.00 H new ATOM 858 N VAL A 57 3.339 -2.934 7.874 1.00 0.00 N ATOM 859 CA VAL A 57 3.673 -4.099 6.998 1.00 0.00 C ATOM 860 C VAL A 57 5.194 -4.249 6.893 1.00 0.00 C ATOM 861 O VAL A 57 5.700 -5.213 6.354 1.00 0.00 O ATOM 862 CB VAL A 57 3.081 -3.889 5.603 1.00 0.00 C ATOM 863 CG1 VAL A 57 1.553 -3.878 5.687 1.00 0.00 C ATOM 864 CG2 VAL A 57 3.561 -2.554 5.029 1.00 0.00 C ATOM 0 H VAL A 57 2.980 -2.115 7.383 1.00 0.00 H new ATOM 0 HA VAL A 57 3.250 -5.004 7.434 1.00 0.00 H new ATOM 0 HB VAL A 57 3.407 -4.702 4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.135 -3.728 4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.204 -4.830 6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.230 -3.068 6.342 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.136 -2.411 4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.241 -1.741 5.681 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.649 -2.557 4.961 1.00 0.00 H new ATOM 874 N LYS A 58 5.926 -3.293 7.389 1.00 0.00 N ATOM 875 CA LYS A 58 7.413 -3.361 7.310 1.00 0.00 C ATOM 876 C LYS A 58 7.910 -4.628 8.013 1.00 0.00 C ATOM 877 O LYS A 58 8.921 -5.194 7.650 1.00 0.00 O ATOM 878 CB LYS A 58 8.013 -2.127 7.995 1.00 0.00 C ATOM 879 CG LYS A 58 9.524 -2.074 7.754 1.00 0.00 C ATOM 880 CD LYS A 58 10.096 -0.807 8.398 1.00 0.00 C ATOM 881 CE LYS A 58 11.603 -0.743 8.151 1.00 0.00 C ATOM 882 NZ LYS A 58 11.860 -0.612 6.687 1.00 0.00 N ATOM 0 H LYS A 58 5.557 -2.461 7.849 1.00 0.00 H new ATOM 0 HA LYS A 58 7.720 -3.386 6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.543 -1.223 7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.809 -2.160 9.065 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.002 -2.958 8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.734 -2.078 6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.611 0.076 7.981 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.892 -0.807 9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.034 0.104 8.684 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.084 -1.642 8.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.811 -0.219 6.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.796 -1.548 6.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.152 0.023 6.266 1.00 0.00 H new ATOM 896 N LYS A 59 7.210 -5.078 9.020 1.00 0.00 N ATOM 897 CA LYS A 59 7.654 -6.306 9.742 1.00 0.00 C ATOM 898 C LYS A 59 7.430 -7.526 8.837 1.00 0.00 C ATOM 899 O LYS A 59 7.854 -8.623 9.133 1.00 0.00 O ATOM 900 CB LYS A 59 6.824 -6.440 11.031 1.00 0.00 C ATOM 901 CG LYS A 59 7.351 -7.593 11.894 1.00 0.00 C ATOM 902 CD LYS A 59 6.573 -7.642 13.211 1.00 0.00 C ATOM 903 CE LYS A 59 7.114 -8.783 14.073 1.00 0.00 C ATOM 904 NZ LYS A 59 6.372 -8.818 15.365 1.00 0.00 N ATOM 0 H LYS A 59 6.354 -4.651 9.373 1.00 0.00 H new ATOM 0 HA LYS A 59 8.712 -6.243 9.996 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.865 -5.508 11.595 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.778 -6.615 10.780 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.245 -8.538 11.361 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.414 -7.457 12.092 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.670 -6.694 13.740 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.511 -7.791 13.015 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.003 -9.733 13.551 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.179 -8.643 14.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.737 -9.593 15.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.500 -7.914 15.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.360 -8.971 15.180 1.00 0.00 H new ATOM 918 N LEU A 60 6.780 -7.335 7.717 1.00 0.00 N ATOM 919 CA LEU A 60 6.529 -8.470 6.771 1.00 0.00 C ATOM 920 C LEU A 60 7.647 -8.499 5.723 1.00 0.00 C ATOM 921 O LEU A 60 7.758 -7.626 4.886 1.00 0.00 O ATOM 922 CB LEU A 60 5.175 -8.252 6.089 1.00 0.00 C ATOM 923 CG LEU A 60 4.076 -8.013 7.141 1.00 0.00 C ATOM 924 CD1 LEU A 60 2.746 -7.751 6.422 1.00 0.00 C ATOM 925 CD2 LEU A 60 3.942 -9.235 8.078 1.00 0.00 C ATOM 0 H LEU A 60 6.409 -6.435 7.413 1.00 0.00 H new ATOM 0 HA LEU A 60 6.515 -9.419 7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.234 -7.398 5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.923 -9.121 5.481 1.00 0.00 H new ATOM 0 HG LEU A 60 4.343 -7.149 7.749 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.961 -7.581 7.159 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.843 -6.871 5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.487 -8.615 5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.160 -9.045 8.814 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.682 -10.116 7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.889 -9.406 8.590 1.00 0.00 H new ATOM 937 N ASP A 61 8.487 -9.497 5.779 1.00 0.00 N ATOM 938 CA ASP A 61 9.618 -9.590 4.811 1.00 0.00 C ATOM 939 C ASP A 61 9.105 -9.790 3.378 1.00 0.00 C ATOM 940 O ASP A 61 9.672 -9.271 2.437 1.00 0.00 O ATOM 941 CB ASP A 61 10.511 -10.771 5.198 1.00 0.00 C ATOM 942 CG ASP A 61 11.748 -10.815 4.298 1.00 0.00 C ATOM 943 OD1 ASP A 61 11.802 -10.047 3.350 1.00 0.00 O ATOM 944 OD2 ASP A 61 12.624 -11.622 4.570 1.00 0.00 O ATOM 0 H ASP A 61 8.438 -10.257 6.458 1.00 0.00 H new ATOM 0 HA ASP A 61 10.183 -8.658 4.846 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.814 -10.681 6.241 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.953 -11.703 5.108 1.00 0.00 H new ATOM 949 N PHE A 62 8.062 -10.555 3.191 1.00 0.00 N ATOM 950 CA PHE A 62 7.556 -10.798 1.799 1.00 0.00 C ATOM 951 C PHE A 62 6.897 -9.538 1.218 1.00 0.00 C ATOM 952 O PHE A 62 6.140 -9.611 0.271 1.00 0.00 O ATOM 953 CB PHE A 62 6.557 -11.960 1.810 1.00 0.00 C ATOM 954 CG PHE A 62 5.401 -11.649 2.739 1.00 0.00 C ATOM 955 CD1 PHE A 62 5.488 -11.985 4.099 1.00 0.00 C ATOM 956 CD2 PHE A 62 4.241 -11.038 2.244 1.00 0.00 C ATOM 957 CE1 PHE A 62 4.417 -11.710 4.958 1.00 0.00 C ATOM 958 CE2 PHE A 62 3.172 -10.762 3.106 1.00 0.00 C ATOM 959 CZ PHE A 62 3.259 -11.101 4.461 1.00 0.00 C ATOM 0 H PHE A 62 7.539 -11.021 3.933 1.00 0.00 H new ATOM 0 HA PHE A 62 8.405 -11.053 1.164 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.184 -12.138 0.801 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.055 -12.874 2.132 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.381 -12.456 4.483 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.171 -10.780 1.198 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.485 -11.968 6.005 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.280 -10.287 2.725 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.432 -10.893 5.124 1.00 0.00 H new ATOM 969 N LEU A 63 7.199 -8.380 1.761 1.00 0.00 N ATOM 970 CA LEU A 63 6.620 -7.091 1.239 1.00 0.00 C ATOM 971 C LEU A 63 7.725 -6.027 1.211 1.00 0.00 C ATOM 972 O LEU A 63 8.371 -5.756 2.206 1.00 0.00 O ATOM 973 CB LEU A 63 5.460 -6.642 2.164 1.00 0.00 C ATOM 974 CG LEU A 63 4.138 -7.384 1.797 1.00 0.00 C ATOM 975 CD1 LEU A 63 3.204 -7.448 3.013 1.00 0.00 C ATOM 976 CD2 LEU A 63 3.405 -6.646 0.659 1.00 0.00 C ATOM 0 H LEU A 63 7.830 -8.269 2.554 1.00 0.00 H new ATOM 0 HA LEU A 63 6.231 -7.230 0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.719 -6.844 3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.314 -5.565 2.075 1.00 0.00 H new ATOM 0 HG LEU A 63 4.399 -8.393 1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.286 -7.969 2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.698 -7.984 3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.963 -6.437 3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.485 -7.177 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.165 -5.632 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.046 -6.607 -0.222 1.00 0.00 H new ATOM 988 N THR A 64 7.938 -5.415 0.070 1.00 0.00 N ATOM 989 CA THR A 64 8.988 -4.358 -0.049 1.00 0.00 C ATOM 990 C THR A 64 8.375 -3.007 0.324 1.00 0.00 C ATOM 991 O THR A 64 7.230 -2.739 0.012 1.00 0.00 O ATOM 992 CB THR A 64 9.491 -4.308 -1.496 1.00 0.00 C ATOM 993 OG1 THR A 64 9.982 -5.588 -1.868 1.00 0.00 O ATOM 994 CG2 THR A 64 10.616 -3.274 -1.624 1.00 0.00 C ATOM 0 H THR A 64 7.424 -5.606 -0.790 1.00 0.00 H new ATOM 0 HA THR A 64 9.821 -4.582 0.618 1.00 0.00 H new ATOM 0 HB THR A 64 8.668 -4.024 -2.152 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.303 -5.559 -2.794 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.968 -3.245 -2.655 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.240 -2.291 -1.341 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.441 -3.550 -0.967 1.00 0.00 H new ATOM 1002 N VAL A 65 9.124 -2.157 0.998 1.00 0.00 N ATOM 1003 CA VAL A 65 8.599 -0.809 1.410 1.00 0.00 C ATOM 1004 C VAL A 65 9.432 0.279 0.723 1.00 0.00 C ATOM 1005 O VAL A 65 10.648 0.276 0.782 1.00 0.00 O ATOM 1006 CB VAL A 65 8.722 -0.660 2.939 1.00 0.00 C ATOM 1007 CG1 VAL A 65 8.314 0.760 3.370 1.00 0.00 C ATOM 1008 CG2 VAL A 65 7.804 -1.678 3.620 1.00 0.00 C ATOM 0 H VAL A 65 10.086 -2.343 1.282 1.00 0.00 H new ATOM 0 HA VAL A 65 7.553 -0.712 1.119 1.00 0.00 H new ATOM 0 HB VAL A 65 9.757 -0.836 3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.405 0.852 4.452 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.966 1.488 2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.281 0.947 3.076 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.888 -1.577 4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.773 -1.498 3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.097 -2.686 3.326 1.00 0.00 H new ATOM 1018 N GLN A 66 8.781 1.218 0.086 1.00 0.00 N ATOM 1019 CA GLN A 66 9.509 2.331 -0.598 1.00 0.00 C ATOM 1020 C GLN A 66 8.562 3.523 -0.707 1.00 0.00 C ATOM 1021 O GLN A 66 7.356 3.364 -0.680 1.00 0.00 O ATOM 1022 CB GLN A 66 9.949 1.888 -1.997 1.00 0.00 C ATOM 1023 CG GLN A 66 10.804 2.988 -2.638 1.00 0.00 C ATOM 1024 CD GLN A 66 11.340 2.517 -3.988 1.00 0.00 C ATOM 1025 OE1 GLN A 66 10.581 2.289 -4.904 1.00 0.00 O ATOM 1026 NE2 GLN A 66 12.626 2.367 -4.152 1.00 0.00 N ATOM 0 H GLN A 66 7.765 1.262 0.009 1.00 0.00 H new ATOM 0 HA GLN A 66 10.397 2.604 -0.027 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.518 0.961 -1.934 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.076 1.684 -2.617 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.209 3.892 -2.770 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.633 3.246 -1.979 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.264 2.559 -3.380 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.993 2.058 -5.052 1.00 0.00 H new ATOM 1035 N GLU A 67 9.087 4.724 -0.817 1.00 0.00 N ATOM 1036 CA GLU A 67 8.208 5.934 -0.914 1.00 0.00 C ATOM 1037 C GLU A 67 8.844 6.978 -1.842 1.00 0.00 C ATOM 1038 O GLU A 67 10.050 7.105 -1.917 1.00 0.00 O ATOM 1039 CB GLU A 67 7.994 6.522 0.490 1.00 0.00 C ATOM 1040 CG GLU A 67 9.337 6.801 1.185 1.00 0.00 C ATOM 1041 CD GLU A 67 9.990 5.486 1.633 1.00 0.00 C ATOM 1042 OE1 GLU A 67 9.270 4.618 2.102 1.00 0.00 O ATOM 1043 OE2 GLU A 67 11.198 5.372 1.500 1.00 0.00 O ATOM 0 H GLU A 67 10.088 4.917 -0.844 1.00 0.00 H new ATOM 0 HA GLU A 67 7.243 5.648 -1.332 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.420 7.446 0.417 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.407 5.829 1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.003 7.332 0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.180 7.449 2.047 1.00 0.00 H new ATOM 1050 N SER A 68 8.035 7.717 -2.560 1.00 0.00 N ATOM 1051 CA SER A 68 8.586 8.742 -3.493 1.00 0.00 C ATOM 1052 C SER A 68 7.475 9.676 -3.971 1.00 0.00 C ATOM 1053 O SER A 68 6.325 9.297 -4.060 1.00 0.00 O ATOM 1054 CB SER A 68 9.174 8.032 -4.711 1.00 0.00 C ATOM 1055 OG SER A 68 10.299 7.267 -4.315 1.00 0.00 O ATOM 0 H SER A 68 7.017 7.653 -2.539 1.00 0.00 H new ATOM 0 HA SER A 68 9.349 9.322 -2.973 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.423 7.386 -5.166 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.465 8.763 -5.466 1.00 0.00 H new ATOM 0 HG SER A 68 10.569 7.527 -3.410 1.00 0.00 H new ATOM 1061 N ARG A 69 7.823 10.892 -4.309 1.00 0.00 N ATOM 1062 CA ARG A 69 6.807 11.852 -4.818 1.00 0.00 C ATOM 1063 C ARG A 69 7.527 13.131 -5.283 1.00 0.00 C ATOM 1064 O ARG A 69 8.707 13.312 -5.054 1.00 0.00 O ATOM 1065 CB ARG A 69 5.771 12.191 -3.713 1.00 0.00 C ATOM 1066 CG ARG A 69 4.373 12.494 -4.336 1.00 0.00 C ATOM 1067 CD ARG A 69 3.505 13.398 -3.399 1.00 0.00 C ATOM 1068 NE ARG A 69 2.240 12.693 -2.980 1.00 0.00 N ATOM 1069 CZ ARG A 69 1.169 13.404 -2.633 1.00 0.00 C ATOM 1070 NH1 ARG A 69 1.114 14.687 -2.865 1.00 0.00 N ATOM 1071 NH2 ARG A 69 0.140 12.838 -2.064 1.00 0.00 N ATOM 0 H ARG A 69 8.773 11.259 -4.253 1.00 0.00 H new ATOM 0 HA ARG A 69 6.270 11.403 -5.654 1.00 0.00 H new ATOM 0 HB2 ARG A 69 5.690 11.357 -3.016 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.113 13.053 -3.140 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.503 12.987 -5.299 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.849 11.558 -4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.082 13.670 -2.515 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.254 14.325 -3.914 1.00 0.00 H new ATOM 0 HE ARG A 69 2.205 11.674 -2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.898 15.157 -3.318 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.287 15.219 -2.594 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.148 11.835 -1.878 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.672 13.399 -1.805 1.00 0.00 H new ATOM 1085 N ASN A 70 6.816 14.013 -5.934 1.00 0.00 N ATOM 1086 CA ASN A 70 7.427 15.278 -6.430 1.00 0.00 C ATOM 1087 C ASN A 70 7.761 16.224 -5.265 1.00 0.00 C ATOM 1088 O ASN A 70 7.346 16.032 -4.129 1.00 0.00 O ATOM 1089 CB ASN A 70 6.429 15.962 -7.365 1.00 0.00 C ATOM 1090 CG ASN A 70 7.081 17.168 -8.034 1.00 0.00 C ATOM 1091 OD1 ASN A 70 6.910 18.288 -7.593 1.00 0.00 O ATOM 1092 ND2 ASN A 70 7.818 16.988 -9.092 1.00 0.00 N ATOM 0 H ASN A 70 5.824 13.908 -6.145 1.00 0.00 H new ATOM 0 HA ASN A 70 8.353 15.044 -6.955 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.086 15.257 -8.122 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.550 16.279 -6.803 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.253 17.787 -9.552 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.960 16.048 -9.460 1.00 0.00 H new ATOM 1099 N GLY A 71 8.520 17.251 -5.546 1.00 0.00 N ATOM 1100 CA GLY A 71 8.893 18.219 -4.485 1.00 0.00 C ATOM 1101 C GLY A 71 9.669 17.500 -3.390 1.00 0.00 C ATOM 1102 O GLY A 71 10.349 16.522 -3.633 1.00 0.00 O ATOM 0 H GLY A 71 8.897 17.458 -6.471 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.498 19.022 -4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.998 18.680 -4.068 1.00 0.00 H new ATOM 1106 N SER A 72 9.566 17.975 -2.177 1.00 0.00 N ATOM 1107 CA SER A 72 10.283 17.339 -1.031 1.00 0.00 C ATOM 1108 C SER A 72 9.333 16.387 -0.308 1.00 0.00 C ATOM 1109 O SER A 72 9.652 15.864 0.741 1.00 0.00 O ATOM 1110 CB SER A 72 10.733 18.430 -0.058 1.00 0.00 C ATOM 1111 OG SER A 72 9.591 19.022 0.546 1.00 0.00 O ATOM 0 H SER A 72 9.006 18.790 -1.927 1.00 0.00 H new ATOM 0 HA SER A 72 11.148 16.787 -1.398 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.384 18.005 0.706 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.313 19.187 -0.586 1.00 0.00 H new ATOM 0 HG SER A 72 9.877 19.720 1.171 1.00 0.00 H new ATOM 1117 N LYS A 73 8.156 16.167 -0.844 1.00 0.00 N ATOM 1118 CA LYS A 73 7.180 15.257 -0.161 1.00 0.00 C ATOM 1119 C LYS A 73 7.424 13.817 -0.611 1.00 0.00 C ATOM 1120 O LYS A 73 7.884 13.573 -1.707 1.00 0.00 O ATOM 1121 CB LYS A 73 5.753 15.678 -0.525 1.00 0.00 C ATOM 1122 CG LYS A 73 4.749 14.886 0.319 1.00 0.00 C ATOM 1123 CD LYS A 73 3.333 15.394 0.033 1.00 0.00 C ATOM 1124 CE LYS A 73 2.328 14.627 0.892 1.00 0.00 C ATOM 1125 NZ LYS A 73 0.960 15.171 0.655 1.00 0.00 N ATOM 0 H LYS A 73 7.830 16.575 -1.720 1.00 0.00 H new ATOM 0 HA LYS A 73 7.312 15.323 0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.624 16.747 -0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.571 15.501 -1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.820 13.823 0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.980 14.997 1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.269 16.461 0.246 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.096 15.265 -1.023 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.357 13.566 0.646 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.590 14.717 1.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.274 14.651 1.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.938 16.179 0.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.713 15.063 -0.349 1.00 0.00 H new ATOM 1139 N LEU A 74 7.127 12.862 0.247 1.00 0.00 N ATOM 1140 CA LEU A 74 7.330 11.411 -0.088 1.00 0.00 C ATOM 1141 C LEU A 74 6.005 10.659 0.080 1.00 0.00 C ATOM 1142 O LEU A 74 5.413 10.659 1.142 1.00 0.00 O ATOM 1143 CB LEU A 74 8.387 10.807 0.855 1.00 0.00 C ATOM 1144 CG LEU A 74 9.755 11.555 0.702 1.00 0.00 C ATOM 1145 CD1 LEU A 74 9.879 12.701 1.722 1.00 0.00 C ATOM 1146 CD2 LEU A 74 10.922 10.582 0.930 1.00 0.00 C ATOM 0 H LEU A 74 6.747 13.031 1.178 1.00 0.00 H new ATOM 0 HA LEU A 74 7.672 11.321 -1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.043 10.875 1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.518 9.748 0.632 1.00 0.00 H new ATOM 0 HG LEU A 74 9.792 11.962 -0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.838 13.202 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.072 13.417 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.815 12.297 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.867 11.115 0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.856 10.163 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.873 9.777 0.197 1.00 0.00 H new ATOM 1158 N HIS A 75 5.539 10.006 -0.963 1.00 0.00 N ATOM 1159 CA HIS A 75 4.254 9.235 -0.878 1.00 0.00 C ATOM 1160 C HIS A 75 4.566 7.796 -0.468 1.00 0.00 C ATOM 1161 O HIS A 75 5.494 7.204 -0.975 1.00 0.00 O ATOM 1162 CB HIS A 75 3.580 9.229 -2.257 1.00 0.00 C ATOM 1163 CG HIS A 75 2.187 8.661 -2.143 1.00 0.00 C ATOM 1164 ND1 HIS A 75 1.211 9.260 -1.360 1.00 0.00 N ATOM 1165 CD2 HIS A 75 1.593 7.557 -2.704 1.00 0.00 C ATOM 1166 CE1 HIS A 75 0.094 8.519 -1.469 1.00 0.00 C ATOM 1167 NE2 HIS A 75 0.269 7.469 -2.277 1.00 0.00 N ATOM 0 H HIS A 75 5.997 9.975 -1.874 1.00 0.00 H new ATOM 0 HA HIS A 75 3.591 9.696 -0.145 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.538 10.243 -2.656 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.168 8.636 -2.957 1.00 0.00 H new ATOM 0 HD1 HIS A 75 1.321 10.108 -0.803 1.00 0.00 H new ATOM 0 HD2 HIS A 75 2.078 6.863 -3.374 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.833 8.745 -0.964 1.00 0.00 H new ATOM 1175 N SER A 76 3.806 7.213 0.425 1.00 0.00 N ATOM 1176 CA SER A 76 4.097 5.805 0.824 1.00 0.00 C ATOM 1177 C SER A 76 3.732 4.869 -0.334 1.00 0.00 C ATOM 1178 O SER A 76 2.738 5.060 -1.005 1.00 0.00 O ATOM 1179 CB SER A 76 3.278 5.426 2.066 1.00 0.00 C ATOM 1180 OG SER A 76 3.418 6.439 3.053 1.00 0.00 O ATOM 0 H SER A 76 3.007 7.645 0.889 1.00 0.00 H new ATOM 0 HA SER A 76 5.157 5.710 1.058 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.228 5.306 1.800 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.618 4.469 2.461 1.00 0.00 H new ATOM 0 HG SER A 76 2.894 6.198 3.845 1.00 0.00 H new ATOM 1186 N GLU A 77 4.527 3.853 -0.569 1.00 0.00 N ATOM 1187 CA GLU A 77 4.225 2.881 -1.672 1.00 0.00 C ATOM 1188 C GLU A 77 4.775 1.499 -1.290 1.00 0.00 C ATOM 1189 O GLU A 77 5.888 1.385 -0.817 1.00 0.00 O ATOM 1190 CB GLU A 77 4.893 3.324 -2.981 1.00 0.00 C ATOM 1191 CG GLU A 77 4.257 4.619 -3.493 1.00 0.00 C ATOM 1192 CD GLU A 77 4.843 4.972 -4.867 1.00 0.00 C ATOM 1193 OE1 GLU A 77 5.635 4.190 -5.375 1.00 0.00 O ATOM 1194 OE2 GLU A 77 4.484 6.013 -5.390 1.00 0.00 O ATOM 0 H GLU A 77 5.377 3.653 -0.042 1.00 0.00 H new ATOM 0 HA GLU A 77 3.145 2.842 -1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.960 3.475 -2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.792 2.540 -3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.176 4.501 -3.567 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.441 5.430 -2.788 1.00 0.00 H new ATOM 1201 N ILE A 78 4.014 0.446 -1.514 1.00 0.00 N ATOM 1202 CA ILE A 78 4.500 -0.950 -1.191 1.00 0.00 C ATOM 1203 C ILE A 78 4.373 -1.841 -2.426 1.00 0.00 C ATOM 1204 O ILE A 78 3.562 -1.594 -3.295 1.00 0.00 O ATOM 1205 CB ILE A 78 3.659 -1.542 -0.053 1.00 0.00 C ATOM 1206 CG1 ILE A 78 2.166 -1.518 -0.434 1.00 0.00 C ATOM 1207 CG2 ILE A 78 3.905 -0.731 1.223 1.00 0.00 C ATOM 1208 CD1 ILE A 78 1.340 -2.200 0.661 1.00 0.00 C ATOM 0 H ILE A 78 3.074 0.490 -1.908 1.00 0.00 H new ATOM 0 HA ILE A 78 5.545 -0.899 -0.884 1.00 0.00 H new ATOM 0 HB ILE A 78 3.948 -2.578 0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 78 1.832 -0.489 -0.567 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.016 -2.027 -1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.311 -1.145 2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.962 -0.777 1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.618 0.307 1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.285 -2.180 0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.667 -3.234 0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.479 -1.672 1.604 1.00 0.00 H new ATOM 1220 N ARG A 79 5.167 -2.887 -2.505 1.00 0.00 N ATOM 1221 CA ARG A 79 5.091 -3.813 -3.682 1.00 0.00 C ATOM 1222 C ARG A 79 5.349 -5.240 -3.204 1.00 0.00 C ATOM 1223 O ARG A 79 6.121 -5.465 -2.296 1.00 0.00 O ATOM 1224 CB ARG A 79 6.150 -3.429 -4.713 1.00 0.00 C ATOM 1225 CG ARG A 79 5.938 -4.241 -6.003 1.00 0.00 C ATOM 1226 CD ARG A 79 6.927 -3.776 -7.094 1.00 0.00 C ATOM 1227 NE ARG A 79 6.451 -4.240 -8.433 1.00 0.00 N ATOM 1228 CZ ARG A 79 7.261 -4.259 -9.463 1.00 0.00 C ATOM 1229 NH1 ARG A 79 8.535 -4.018 -9.313 1.00 0.00 N ATOM 1230 NH2 ARG A 79 6.791 -4.535 -10.650 1.00 0.00 N ATOM 0 H ARG A 79 5.864 -3.138 -1.804 1.00 0.00 H new ATOM 0 HA ARG A 79 4.104 -3.742 -4.139 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.090 -2.362 -4.930 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.146 -3.618 -4.313 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.081 -5.303 -5.801 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.913 -4.118 -6.354 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.011 -2.689 -7.083 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.921 -4.175 -6.892 1.00 0.00 H new ATOM 0 HE ARG A 79 5.484 -4.545 -8.546 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.910 -3.812 -8.387 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.156 -4.036 -10.122 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.798 -4.734 -10.772 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.417 -4.551 -11.455 1.00 0.00 H new ATOM 1244 N LEU A 80 4.711 -6.207 -3.807 1.00 0.00 N ATOM 1245 CA LEU A 80 4.922 -7.623 -3.380 1.00 0.00 C ATOM 1246 C LEU A 80 6.302 -8.096 -3.879 1.00 0.00 C ATOM 1247 O LEU A 80 6.711 -7.799 -4.985 1.00 0.00 O ATOM 1248 CB LEU A 80 3.774 -8.499 -3.960 1.00 0.00 C ATOM 1249 CG LEU A 80 3.333 -9.606 -2.966 1.00 0.00 C ATOM 1250 CD1 LEU A 80 4.535 -10.499 -2.605 1.00 0.00 C ATOM 1251 CD2 LEU A 80 2.703 -8.983 -1.682 1.00 0.00 C ATOM 0 H LEU A 80 4.053 -6.079 -4.576 1.00 0.00 H new ATOM 0 HA LEU A 80 4.904 -7.709 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.920 -7.866 -4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.103 -8.958 -4.892 1.00 0.00 H new ATOM 0 HG LEU A 80 2.571 -10.220 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.216 -11.273 -1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.927 -10.965 -3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.314 -9.892 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.402 -9.779 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.436 -8.343 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.830 -8.391 -1.956 1.00 0.00 H new ATOM 1263 N ARG A 81 7.018 -8.814 -3.064 1.00 0.00 N ATOM 1264 CA ARG A 81 8.367 -9.295 -3.470 1.00 0.00 C ATOM 1265 C ARG A 81 8.234 -10.301 -4.633 1.00 0.00 C ATOM 1266 O ARG A 81 9.207 -10.866 -5.087 1.00 0.00 O ATOM 1267 CB ARG A 81 9.038 -9.962 -2.244 1.00 0.00 C ATOM 1268 CG ARG A 81 10.588 -10.021 -2.397 1.00 0.00 C ATOM 1269 CD ARG A 81 11.230 -8.674 -1.993 1.00 0.00 C ATOM 1270 NE ARG A 81 12.722 -8.812 -1.904 1.00 0.00 N ATOM 1271 CZ ARG A 81 13.479 -7.739 -1.869 1.00 0.00 C ATOM 1272 NH1 ARG A 81 12.933 -6.556 -1.895 1.00 0.00 N ATOM 1273 NH2 ARG A 81 14.777 -7.852 -1.798 1.00 0.00 N ATOM 0 H ARG A 81 6.726 -9.091 -2.127 1.00 0.00 H new ATOM 0 HA ARG A 81 8.981 -8.461 -3.811 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.782 -9.406 -1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.646 -10.971 -2.119 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.989 -10.821 -1.775 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.848 -10.258 -3.429 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.972 -7.907 -2.724 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.831 -8.347 -1.033 1.00 0.00 H new ATOM 0 HE ARG A 81 13.148 -9.738 -1.871 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.918 -6.464 -1.942 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.520 -5.723 -1.868 1.00 0.00 H new ATOM 0 HH21 ARG A 81 15.208 -8.776 -1.769 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.361 -7.016 -1.771 1.00 0.00 H new