USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 396 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 60 GLN : amide:sc= 0.973 K(o=2.2,f=-7.6!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 162:sc= 1.25 (180deg=0) USER MOD Set 2.1: A 37 CYS SG : rot -21:sc= -1.82! USER MOD Set 2.2: A 40 CYS SG : rot -152:sc= -4.05! USER MOD Set 3.1: A 35 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 36 HIS : no HE2:sc= -6.59! C(o=-6.6!,f=-10!) USER MOD Set 3.3: A 38 GLN : amide:sc= 0 K(o=-6.6,f=-8.7) USER MOD Single : A 9 THR OG1 : rot -35:sc= 0.363 USER MOD Single : A 13 ASN : amide:sc= 0.0125 K(o=0.013,f=-1.2) USER MOD Single : A 15 GLN : amide:sc= -0.396 K(o=-0.4,f=-0.92) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 0.705 (180deg=0.568) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.439 K(o=-0.44,f=-3.3) USER MOD Single : A 44 SER OG : rot -160:sc= 0.385 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 149:sc= 1.24 (180deg=-0.346) USER MOD Single : A 57 LYS NZ :NH3+ 178:sc= 0.984 (180deg=0.98) USER MOD Single : A 58 ASN : amide:sc= -3.42! C(o=-3.4!,f=-12!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N ILE A 6 50.797 -10.828 9.407 1.00 0.00 N ATOM 98 CA ILE A 6 51.614 -10.396 10.616 1.00 0.00 C ATOM 99 C ILE A 6 50.763 -9.553 11.616 1.00 0.00 C ATOM 100 O ILE A 6 50.195 -8.550 11.239 1.00 0.00 O ATOM 101 CB ILE A 6 52.873 -9.608 10.178 1.00 0.00 C ATOM 102 CG1 ILE A 6 53.697 -10.456 9.192 1.00 0.00 C ATOM 103 CG2 ILE A 6 53.741 -9.281 11.404 1.00 0.00 C ATOM 104 CD1 ILE A 6 54.778 -9.590 8.538 1.00 0.00 C ATOM 0 HA ILE A 6 51.933 -11.301 11.132 1.00 0.00 H new ATOM 0 HB ILE A 6 52.559 -8.682 9.697 1.00 0.00 H new ATOM 0 HG12 ILE A 6 54.157 -11.294 9.716 1.00 0.00 H new ATOM 0 HG13 ILE A 6 53.044 -10.878 8.428 1.00 0.00 H new ATOM 0 HG21 ILE A 6 54.624 -8.727 11.087 1.00 0.00 H new ATOM 0 HG22 ILE A 6 53.166 -8.677 12.106 1.00 0.00 H new ATOM 0 HG23 ILE A 6 54.049 -10.207 11.889 1.00 0.00 H new ATOM 0 HD11 ILE A 6 55.358 -10.196 7.841 1.00 0.00 H new ATOM 0 HD12 ILE A 6 54.308 -8.767 7.999 1.00 0.00 H new ATOM 0 HD13 ILE A 6 55.438 -9.190 9.307 1.00 0.00 H new ATOM 116 N PRO A 7 50.728 -9.977 12.885 1.00 0.00 N ATOM 117 CA PRO A 7 49.980 -9.281 13.952 1.00 0.00 C ATOM 118 C PRO A 7 50.542 -7.873 14.250 1.00 0.00 C ATOM 119 O PRO A 7 51.744 -7.653 14.210 1.00 0.00 O ATOM 120 CB PRO A 7 50.052 -10.211 15.151 1.00 0.00 C ATOM 121 CG PRO A 7 51.243 -11.124 14.889 1.00 0.00 C ATOM 122 CD PRO A 7 51.440 -11.157 13.367 1.00 0.00 C ATOM 0 HA PRO A 7 48.948 -9.087 13.660 1.00 0.00 H new ATOM 0 HB2 PRO A 7 50.184 -9.649 16.076 1.00 0.00 H new ATOM 0 HB3 PRO A 7 49.132 -10.787 15.257 1.00 0.00 H new ATOM 0 HG2 PRO A 7 52.137 -10.749 15.388 1.00 0.00 H new ATOM 0 HG3 PRO A 7 51.057 -12.125 15.278 1.00 0.00 H new ATOM 0 HD2 PRO A 7 52.497 -11.120 13.102 1.00 0.00 H new ATOM 0 HD3 PRO A 7 51.034 -12.071 12.933 1.00 0.00 H new ATOM 130 N GLY A 8 49.666 -6.909 14.497 1.00 0.00 N ATOM 131 CA GLY A 8 50.108 -5.483 14.747 1.00 0.00 C ATOM 132 C GLY A 8 50.057 -4.669 13.426 1.00 0.00 C ATOM 133 O GLY A 8 49.914 -3.466 13.445 1.00 0.00 O ATOM 0 H GLY A 8 48.657 -7.051 14.536 1.00 0.00 H new ATOM 0 HA2 GLY A 8 49.463 -5.020 15.494 1.00 0.00 H new ATOM 0 HA3 GLY A 8 51.121 -5.473 15.150 1.00 0.00 H new ATOM 137 N THR A 9 50.194 -5.343 12.297 1.00 0.00 N ATOM 138 CA THR A 9 50.180 -4.725 10.936 1.00 0.00 C ATOM 139 C THR A 9 49.027 -5.333 10.088 1.00 0.00 C ATOM 140 O THR A 9 48.524 -4.687 9.209 1.00 0.00 O ATOM 141 CB THR A 9 51.533 -4.989 10.239 1.00 0.00 C ATOM 142 OG1 THR A 9 51.623 -6.336 9.774 1.00 0.00 O ATOM 143 CG2 THR A 9 52.678 -4.722 11.213 1.00 0.00 C ATOM 0 H THR A 9 50.322 -6.355 12.275 1.00 0.00 H new ATOM 0 HA THR A 9 50.022 -3.651 11.031 1.00 0.00 H new ATOM 0 HB THR A 9 51.604 -4.319 9.382 1.00 0.00 H new ATOM 0 HG1 THR A 9 51.157 -6.930 10.399 1.00 0.00 H new ATOM 0 HG21 THR A 9 53.630 -4.910 10.716 1.00 0.00 H new ATOM 0 HG22 THR A 9 52.640 -3.684 11.544 1.00 0.00 H new ATOM 0 HG23 THR A 9 52.583 -5.381 12.076 1.00 0.00 H new ATOM 151 N ALA A 10 48.613 -6.574 10.349 1.00 0.00 N ATOM 152 CA ALA A 10 47.495 -7.237 9.576 1.00 0.00 C ATOM 153 C ALA A 10 46.146 -6.653 10.033 1.00 0.00 C ATOM 154 O ALA A 10 45.387 -6.134 9.227 1.00 0.00 O ATOM 155 CB ALA A 10 47.541 -8.737 9.865 1.00 0.00 C ATOM 0 H ALA A 10 49.016 -7.160 11.081 1.00 0.00 H new ATOM 0 HA ALA A 10 47.610 -7.061 8.506 1.00 0.00 H new ATOM 0 HB1 ALA A 10 46.742 -9.238 9.317 1.00 0.00 H new ATOM 0 HB2 ALA A 10 48.504 -9.139 9.550 1.00 0.00 H new ATOM 0 HB3 ALA A 10 47.409 -8.906 10.934 1.00 0.00 H new ATOM 161 N GLU A 11 45.886 -6.679 11.331 1.00 0.00 N ATOM 162 CA GLU A 11 44.637 -6.055 11.904 1.00 0.00 C ATOM 163 C GLU A 11 44.739 -4.545 11.608 1.00 0.00 C ATOM 164 O GLU A 11 43.777 -3.910 11.221 1.00 0.00 O ATOM 165 CB GLU A 11 44.566 -6.264 13.434 1.00 0.00 C ATOM 166 CG GLU A 11 44.807 -7.741 13.810 1.00 0.00 C ATOM 167 CD GLU A 11 46.249 -7.924 14.296 1.00 0.00 C ATOM 168 OE1 GLU A 11 47.128 -8.000 13.455 1.00 0.00 O ATOM 169 OE2 GLU A 11 46.456 -7.968 15.492 1.00 0.00 O ATOM 0 H GLU A 11 46.496 -7.112 12.024 1.00 0.00 H new ATOM 0 HA GLU A 11 43.747 -6.507 11.465 1.00 0.00 H new ATOM 0 HB2 GLU A 11 45.310 -5.636 13.924 1.00 0.00 H new ATOM 0 HB3 GLU A 11 43.590 -5.948 13.801 1.00 0.00 H new ATOM 0 HG2 GLU A 11 44.109 -8.046 14.590 1.00 0.00 H new ATOM 0 HG3 GLU A 11 44.620 -8.381 12.947 1.00 0.00 H new ATOM 176 N GLU A 12 45.956 -4.013 11.726 1.00 0.00 N ATOM 177 CA GLU A 12 46.266 -2.593 11.401 1.00 0.00 C ATOM 178 C GLU A 12 45.883 -2.357 9.911 1.00 0.00 C ATOM 179 O GLU A 12 45.207 -1.403 9.573 1.00 0.00 O ATOM 180 CB GLU A 12 47.802 -2.434 11.670 1.00 0.00 C ATOM 181 CG GLU A 12 48.564 -1.715 10.532 1.00 0.00 C ATOM 182 CD GLU A 12 48.042 -0.292 10.235 1.00 0.00 C ATOM 183 OE1 GLU A 12 47.529 0.365 11.128 1.00 0.00 O ATOM 184 OE2 GLU A 12 48.169 0.115 9.093 1.00 0.00 O ATOM 0 H GLU A 12 46.765 -4.543 12.049 1.00 0.00 H new ATOM 0 HA GLU A 12 45.717 -1.861 11.994 1.00 0.00 H new ATOM 0 HB2 GLU A 12 47.943 -1.878 12.597 1.00 0.00 H new ATOM 0 HB3 GLU A 12 48.239 -3.421 11.820 1.00 0.00 H new ATOM 0 HG2 GLU A 12 49.620 -1.657 10.795 1.00 0.00 H new ATOM 0 HG3 GLU A 12 48.493 -2.315 9.625 1.00 0.00 H new ATOM 191 N ASN A 13 46.322 -3.261 9.050 1.00 0.00 N ATOM 192 CA ASN A 13 46.051 -3.208 7.575 1.00 0.00 C ATOM 193 C ASN A 13 44.558 -3.095 7.275 1.00 0.00 C ATOM 194 O ASN A 13 44.134 -2.172 6.602 1.00 0.00 O ATOM 195 CB ASN A 13 46.577 -4.512 6.920 1.00 0.00 C ATOM 196 CG ASN A 13 47.865 -4.269 6.140 1.00 0.00 C ATOM 197 OD1 ASN A 13 47.890 -3.498 5.204 1.00 0.00 O ATOM 198 ND2 ASN A 13 48.936 -4.926 6.480 1.00 0.00 N ATOM 0 H ASN A 13 46.882 -4.066 9.330 1.00 0.00 H new ATOM 0 HA ASN A 13 46.554 -2.327 7.175 1.00 0.00 H new ATOM 0 HB2 ASN A 13 46.754 -5.261 7.691 1.00 0.00 H new ATOM 0 HB3 ASN A 13 45.817 -4.916 6.251 1.00 0.00 H new ATOM 0 HD21 ASN A 13 49.803 -4.794 5.958 1.00 0.00 H new ATOM 0 HD22 ASN A 13 48.909 -5.573 7.268 1.00 0.00 H new ATOM 205 N LEU A 14 43.796 -4.068 7.734 1.00 0.00 N ATOM 206 CA LEU A 14 42.313 -4.149 7.468 1.00 0.00 C ATOM 207 C LEU A 14 42.119 -4.352 5.945 1.00 0.00 C ATOM 208 O LEU A 14 41.955 -5.469 5.486 1.00 0.00 O ATOM 209 CB LEU A 14 41.591 -2.895 7.983 1.00 0.00 C ATOM 210 CG LEU A 14 40.636 -3.323 9.097 1.00 0.00 C ATOM 211 CD1 LEU A 14 40.963 -2.559 10.368 1.00 0.00 C ATOM 212 CD2 LEU A 14 39.198 -3.037 8.675 1.00 0.00 C ATOM 0 H LEU A 14 44.153 -4.836 8.302 1.00 0.00 H new ATOM 0 HA LEU A 14 41.872 -4.989 8.004 1.00 0.00 H new ATOM 0 HB2 LEU A 14 42.311 -2.167 8.357 1.00 0.00 H new ATOM 0 HB3 LEU A 14 41.042 -2.413 7.175 1.00 0.00 H new ATOM 0 HG LEU A 14 40.749 -4.391 9.282 1.00 0.00 H new ATOM 0 HD11 LEU A 14 40.282 -2.865 11.162 1.00 0.00 H new ATOM 0 HD12 LEU A 14 41.989 -2.773 10.668 1.00 0.00 H new ATOM 0 HD13 LEU A 14 40.854 -1.490 10.188 1.00 0.00 H new ATOM 0 HD21 LEU A 14 38.518 -3.343 9.470 1.00 0.00 H new ATOM 0 HD22 LEU A 14 39.080 -1.970 8.486 1.00 0.00 H new ATOM 0 HD23 LEU A 14 38.968 -3.594 7.767 1.00 0.00 H new ATOM 224 N GLN A 15 42.233 -3.287 5.173 1.00 0.00 N ATOM 225 CA GLN A 15 42.159 -3.359 3.679 1.00 0.00 C ATOM 226 C GLN A 15 42.974 -2.163 3.111 1.00 0.00 C ATOM 227 O GLN A 15 42.488 -1.363 2.321 1.00 0.00 O ATOM 228 CB GLN A 15 40.684 -3.326 3.224 1.00 0.00 C ATOM 229 CG GLN A 15 40.468 -4.357 2.100 1.00 0.00 C ATOM 230 CD GLN A 15 40.569 -5.784 2.662 1.00 0.00 C ATOM 231 OE1 GLN A 15 41.623 -6.384 2.640 1.00 0.00 O ATOM 232 NE2 GLN A 15 39.519 -6.356 3.171 1.00 0.00 N ATOM 0 H GLN A 15 42.379 -2.344 5.535 1.00 0.00 H new ATOM 0 HA GLN A 15 42.583 -4.291 3.304 1.00 0.00 H new ATOM 0 HB2 GLN A 15 40.028 -3.548 4.066 1.00 0.00 H new ATOM 0 HB3 GLN A 15 40.424 -2.328 2.871 1.00 0.00 H new ATOM 0 HG2 GLN A 15 39.490 -4.207 1.642 1.00 0.00 H new ATOM 0 HG3 GLN A 15 41.212 -4.213 1.317 1.00 0.00 H new ATOM 0 HE21 GLN A 15 38.628 -5.859 3.194 1.00 0.00 H new ATOM 0 HE22 GLN A 15 39.586 -7.302 3.548 1.00 0.00 H new ATOM 241 N LYS A 16 44.223 -2.039 3.554 1.00 0.00 N ATOM 242 CA LYS A 16 45.107 -0.911 3.106 1.00 0.00 C ATOM 243 C LYS A 16 46.090 -1.400 2.020 1.00 0.00 C ATOM 244 O LYS A 16 45.891 -1.110 0.855 1.00 0.00 O ATOM 245 CB LYS A 16 45.881 -0.349 4.317 1.00 0.00 C ATOM 246 CG LYS A 16 45.147 0.873 4.890 1.00 0.00 C ATOM 247 CD LYS A 16 45.857 1.352 6.167 1.00 0.00 C ATOM 248 CE LYS A 16 45.445 0.474 7.354 1.00 0.00 C ATOM 249 NZ LYS A 16 45.612 1.230 8.627 1.00 0.00 N ATOM 0 H LYS A 16 44.661 -2.683 4.213 1.00 0.00 H new ATOM 0 HA LYS A 16 44.490 -0.120 2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 16 45.979 -1.117 5.084 1.00 0.00 H new ATOM 0 HB3 LYS A 16 46.890 -0.069 4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 16 45.125 1.675 4.152 1.00 0.00 H new ATOM 0 HG3 LYS A 16 44.111 0.616 5.113 1.00 0.00 H new ATOM 0 HD2 LYS A 16 46.938 1.310 6.030 1.00 0.00 H new ATOM 0 HD3 LYS A 16 45.601 2.393 6.367 1.00 0.00 H new ATOM 0 HE2 LYS A 16 44.408 0.159 7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 16 46.052 -0.431 7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 45.221 0.674 9.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 46.623 1.406 8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 45.109 2.138 8.560 1.00 0.00 H new ATOM 263 N SER A 17 47.146 -2.127 2.400 1.00 0.00 N ATOM 264 CA SER A 17 48.175 -2.637 1.412 1.00 0.00 C ATOM 265 C SER A 17 48.833 -1.440 0.666 1.00 0.00 C ATOM 266 O SER A 17 49.789 -0.871 1.162 1.00 0.00 O ATOM 267 CB SER A 17 47.520 -3.644 0.442 1.00 0.00 C ATOM 268 OG SER A 17 48.465 -4.040 -0.549 1.00 0.00 O ATOM 0 H SER A 17 47.333 -2.388 3.368 1.00 0.00 H new ATOM 0 HA SER A 17 48.968 -3.165 1.942 1.00 0.00 H new ATOM 0 HB2 SER A 17 47.168 -4.517 0.992 1.00 0.00 H new ATOM 0 HB3 SER A 17 46.649 -3.193 -0.032 1.00 0.00 H new ATOM 0 HG SER A 17 48.047 -4.680 -1.162 1.00 0.00 H new ATOM 274 N SER A 18 48.317 -1.037 -0.489 1.00 0.00 N ATOM 275 CA SER A 18 48.889 0.132 -1.238 1.00 0.00 C ATOM 276 C SER A 18 47.793 1.203 -1.384 1.00 0.00 C ATOM 277 O SER A 18 46.890 1.069 -2.198 1.00 0.00 O ATOM 278 CB SER A 18 49.371 -0.329 -2.620 1.00 0.00 C ATOM 279 OG SER A 18 50.190 0.685 -3.196 1.00 0.00 O ATOM 0 H SER A 18 47.516 -1.478 -0.941 1.00 0.00 H new ATOM 0 HA SER A 18 49.738 0.550 -0.697 1.00 0.00 H new ATOM 0 HB2 SER A 18 49.933 -1.259 -2.530 1.00 0.00 H new ATOM 0 HB3 SER A 18 48.517 -0.533 -3.266 1.00 0.00 H new ATOM 0 HG SER A 18 50.501 0.393 -4.078 1.00 0.00 H new ATOM 285 N GLY A 19 47.847 2.248 -0.576 1.00 0.00 N ATOM 286 CA GLY A 19 46.796 3.328 -0.632 1.00 0.00 C ATOM 287 C GLY A 19 45.645 2.975 0.326 1.00 0.00 C ATOM 288 O GLY A 19 45.409 3.672 1.301 1.00 0.00 O ATOM 0 H GLY A 19 48.576 2.398 0.121 1.00 0.00 H new ATOM 0 HA2 GLY A 19 47.231 4.288 -0.356 1.00 0.00 H new ATOM 0 HA3 GLY A 19 46.418 3.430 -1.649 1.00 0.00 H new ATOM 292 N GLY A 20 44.939 1.890 0.055 1.00 0.00 N ATOM 293 CA GLY A 20 43.804 1.456 0.941 1.00 0.00 C ATOM 294 C GLY A 20 42.461 1.940 0.382 1.00 0.00 C ATOM 295 O GLY A 20 42.320 3.090 0.006 1.00 0.00 O ATOM 0 H GLY A 20 45.105 1.285 -0.749 1.00 0.00 H new ATOM 0 HA2 GLY A 20 43.798 0.369 1.025 1.00 0.00 H new ATOM 0 HA3 GLY A 20 43.949 1.853 1.946 1.00 0.00 H new ATOM 299 N VAL A 21 41.475 1.057 0.339 1.00 0.00 N ATOM 300 CA VAL A 21 40.097 1.424 -0.192 1.00 0.00 C ATOM 301 C VAL A 21 39.487 2.686 0.485 1.00 0.00 C ATOM 302 O VAL A 21 38.957 3.516 -0.231 1.00 0.00 O ATOM 303 CB VAL A 21 39.083 0.251 -0.120 1.00 0.00 C ATOM 304 CG1 VAL A 21 39.054 -0.425 -1.482 1.00 0.00 C ATOM 305 CG2 VAL A 21 39.445 -0.808 0.934 1.00 0.00 C ATOM 0 H VAL A 21 41.563 0.090 0.650 1.00 0.00 H new ATOM 0 HA VAL A 21 40.273 1.659 -1.242 1.00 0.00 H new ATOM 0 HB VAL A 21 38.118 0.670 0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 21 38.348 -1.255 -1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 21 38.745 0.295 -2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 21 40.049 -0.800 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 21 38.694 -1.598 0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 21 40.421 -1.234 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 21 39.477 -0.344 1.920 1.00 0.00 H new ATOM 315 N PRO A 22 39.581 2.844 1.818 1.00 0.00 N ATOM 316 CA PRO A 22 39.039 4.061 2.495 1.00 0.00 C ATOM 317 C PRO A 22 39.853 5.339 2.186 1.00 0.00 C ATOM 318 O PRO A 22 39.427 6.439 2.491 1.00 0.00 O ATOM 319 CB PRO A 22 39.115 3.717 3.977 1.00 0.00 C ATOM 320 CG PRO A 22 40.165 2.598 4.117 1.00 0.00 C ATOM 321 CD PRO A 22 40.213 1.883 2.761 1.00 0.00 C ATOM 0 HA PRO A 22 38.030 4.291 2.151 1.00 0.00 H new ATOM 0 HB2 PRO A 22 39.400 4.591 4.563 1.00 0.00 H new ATOM 0 HB3 PRO A 22 38.145 3.386 4.348 1.00 0.00 H new ATOM 0 HG2 PRO A 22 41.141 3.010 4.374 1.00 0.00 H new ATOM 0 HG3 PRO A 22 39.892 1.905 4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 22 41.237 1.653 2.468 1.00 0.00 H new ATOM 0 HD3 PRO A 22 39.670 0.938 2.790 1.00 0.00 H new ATOM 329 N GLY A 23 41.005 5.183 1.589 1.00 0.00 N ATOM 330 CA GLY A 23 41.887 6.352 1.229 1.00 0.00 C ATOM 331 C GLY A 23 42.541 6.955 2.484 1.00 0.00 C ATOM 332 O GLY A 23 42.626 8.163 2.615 1.00 0.00 O ATOM 0 H GLY A 23 41.388 4.275 1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 23 42.660 6.028 0.532 1.00 0.00 H new ATOM 0 HA3 GLY A 23 41.297 7.114 0.720 1.00 0.00 H new ATOM 461 N PRO A 33 51.848 13.162 4.838 1.00 0.00 N ATOM 462 CA PRO A 33 53.280 12.993 5.107 1.00 0.00 C ATOM 463 C PRO A 33 54.143 14.117 4.488 1.00 0.00 C ATOM 464 O PRO A 33 53.681 14.894 3.674 1.00 0.00 O ATOM 465 CB PRO A 33 53.603 11.617 4.531 1.00 0.00 C ATOM 466 CG PRO A 33 52.512 11.292 3.528 1.00 0.00 C ATOM 467 CD PRO A 33 51.318 12.147 3.918 1.00 0.00 C ATOM 0 HA PRO A 33 53.509 13.059 6.171 1.00 0.00 H new ATOM 0 HB2 PRO A 33 54.581 11.620 4.050 1.00 0.00 H new ATOM 0 HB3 PRO A 33 53.638 10.866 5.321 1.00 0.00 H new ATOM 0 HG2 PRO A 33 52.837 11.515 2.512 1.00 0.00 H new ATOM 0 HG3 PRO A 33 52.259 10.232 3.556 1.00 0.00 H new ATOM 0 HD2 PRO A 33 50.864 12.610 3.042 1.00 0.00 H new ATOM 0 HD3 PRO A 33 50.545 11.547 4.398 1.00 0.00 H new ATOM 475 N ASN A 34 55.402 14.203 4.899 1.00 0.00 N ATOM 476 CA ASN A 34 56.346 15.258 4.407 1.00 0.00 C ATOM 477 C ASN A 34 55.792 16.655 4.789 1.00 0.00 C ATOM 478 O ASN A 34 55.597 17.524 3.949 1.00 0.00 O ATOM 479 CB ASN A 34 56.544 15.114 2.891 1.00 0.00 C ATOM 480 CG ASN A 34 57.042 13.708 2.537 1.00 0.00 C ATOM 481 OD1 ASN A 34 57.897 13.163 3.198 1.00 0.00 O ATOM 482 ND2 ASN A 34 56.548 13.104 1.506 1.00 0.00 N ATOM 0 H ASN A 34 55.816 13.562 5.575 1.00 0.00 H new ATOM 0 HA ASN A 34 57.323 15.141 4.877 1.00 0.00 H new ATOM 0 HB2 ASN A 34 55.603 15.312 2.377 1.00 0.00 H new ATOM 0 HB3 ASN A 34 57.261 15.857 2.541 1.00 0.00 H new ATOM 0 HD21 ASN A 34 56.879 12.173 1.253 1.00 0.00 H new ATOM 0 HD22 ASN A 34 55.827 13.559 0.945 1.00 0.00 H new ATOM 489 N TYR A 35 55.499 16.844 6.067 1.00 0.00 N ATOM 490 CA TYR A 35 54.926 18.116 6.570 1.00 0.00 C ATOM 491 C TYR A 35 55.874 18.801 7.581 1.00 0.00 C ATOM 492 O TYR A 35 56.179 19.971 7.471 1.00 0.00 O ATOM 493 CB TYR A 35 53.549 17.800 7.202 1.00 0.00 C ATOM 494 CG TYR A 35 53.611 16.896 8.343 1.00 0.00 C ATOM 495 CD1 TYR A 35 53.668 15.542 8.129 1.00 0.00 C ATOM 496 CD2 TYR A 35 53.573 17.429 9.606 1.00 0.00 C ATOM 497 CE1 TYR A 35 53.695 14.693 9.188 1.00 0.00 C ATOM 498 CE2 TYR A 35 53.595 16.603 10.685 1.00 0.00 C ATOM 499 CZ TYR A 35 53.660 15.209 10.498 1.00 0.00 C ATOM 500 OH TYR A 35 53.680 14.362 11.583 1.00 0.00 O ATOM 0 H TYR A 35 55.644 16.139 6.789 1.00 0.00 H new ATOM 0 HA TYR A 35 54.801 18.820 5.747 1.00 0.00 H new ATOM 0 HB2 TYR A 35 53.083 18.734 7.517 1.00 0.00 H new ATOM 0 HB3 TYR A 35 52.904 17.363 6.440 1.00 0.00 H new ATOM 0 HD1 TYR A 35 53.691 15.153 7.122 1.00 0.00 H new ATOM 0 HD2 TYR A 35 53.526 18.499 9.742 1.00 0.00 H new ATOM 0 HE1 TYR A 35 53.743 13.626 9.027 1.00 0.00 H new ATOM 0 HE2 TYR A 35 53.563 17.015 11.683 1.00 0.00 H new ATOM 0 HH TYR A 35 53.651 14.888 12.409 1.00 0.00 H new ATOM 510 N HIS A 36 56.328 18.052 8.540 1.00 0.00 N ATOM 511 CA HIS A 36 57.273 18.562 9.615 1.00 0.00 C ATOM 512 C HIS A 36 58.763 18.531 9.172 1.00 0.00 C ATOM 513 O HIS A 36 59.649 18.783 9.968 1.00 0.00 O ATOM 514 CB HIS A 36 57.074 17.761 10.936 1.00 0.00 C ATOM 515 CG HIS A 36 57.119 16.267 10.714 1.00 0.00 C ATOM 516 ND1 HIS A 36 56.748 15.357 11.686 1.00 0.00 N ATOM 517 CD2 HIS A 36 57.440 15.528 9.621 1.00 0.00 C ATOM 518 CE1 HIS A 36 56.853 14.129 11.148 1.00 0.00 C ATOM 519 NE2 HIS A 36 57.271 14.181 9.884 1.00 0.00 N ATOM 0 H HIS A 36 56.084 17.067 8.642 1.00 0.00 H new ATOM 0 HA HIS A 36 57.022 19.608 9.789 1.00 0.00 H new ATOM 0 HB2 HIS A 36 57.848 18.043 11.649 1.00 0.00 H new ATOM 0 HB3 HIS A 36 56.116 18.031 11.381 1.00 0.00 H new ATOM 0 HD1 HIS A 36 56.450 15.576 12.636 1.00 0.00 H new ATOM 0 HD2 HIS A 36 57.779 15.935 8.680 1.00 0.00 H new ATOM 0 HE1 HIS A 36 56.627 13.214 11.675 1.00 0.00 H new ATOM 527 N CYS A 37 59.031 18.219 7.910 1.00 0.00 N ATOM 528 CA CYS A 37 60.440 18.158 7.344 1.00 0.00 C ATOM 529 C CYS A 37 61.238 16.924 7.826 1.00 0.00 C ATOM 530 O CYS A 37 62.298 16.637 7.305 1.00 0.00 O ATOM 531 CB CYS A 37 61.217 19.452 7.638 1.00 0.00 C ATOM 532 SG CYS A 37 62.344 19.791 6.260 1.00 0.00 S ATOM 0 H CYS A 37 58.307 17.997 7.227 1.00 0.00 H new ATOM 0 HA CYS A 37 60.324 18.055 6.265 1.00 0.00 H new ATOM 0 HB2 CYS A 37 60.526 20.284 7.772 1.00 0.00 H new ATOM 0 HB3 CYS A 37 61.778 19.351 8.567 1.00 0.00 H new ATOM 0 HG CYS A 37 62.560 18.694 5.596 1.00 0.00 H new ATOM 538 N GLN A 38 60.714 16.163 8.752 1.00 0.00 N ATOM 539 CA GLN A 38 61.394 14.915 9.211 1.00 0.00 C ATOM 540 C GLN A 38 61.070 13.836 8.163 1.00 0.00 C ATOM 541 O GLN A 38 61.937 13.130 7.706 1.00 0.00 O ATOM 542 CB GLN A 38 60.893 14.580 10.645 1.00 0.00 C ATOM 543 CG GLN A 38 60.237 13.187 10.729 1.00 0.00 C ATOM 544 CD GLN A 38 60.255 12.682 12.170 1.00 0.00 C ATOM 545 OE1 GLN A 38 59.364 12.965 12.936 1.00 0.00 O ATOM 546 NE2 GLN A 38 61.238 11.941 12.578 1.00 0.00 N ATOM 0 H GLN A 38 59.828 16.358 9.218 1.00 0.00 H new ATOM 0 HA GLN A 38 62.478 15.004 9.284 1.00 0.00 H new ATOM 0 HB2 GLN A 38 61.732 14.626 11.340 1.00 0.00 H new ATOM 0 HB3 GLN A 38 60.175 15.336 10.962 1.00 0.00 H new ATOM 0 HG2 GLN A 38 59.210 13.238 10.367 1.00 0.00 H new ATOM 0 HG3 GLN A 38 60.768 12.487 10.084 1.00 0.00 H new ATOM 0 HE21 GLN A 38 61.994 11.698 11.937 1.00 0.00 H new ATOM 0 HE22 GLN A 38 61.256 11.601 13.540 1.00 0.00 H new ATOM 555 N LEU A 39 59.834 13.775 7.722 1.00 0.00 N ATOM 556 CA LEU A 39 59.458 12.827 6.634 1.00 0.00 C ATOM 557 C LEU A 39 60.120 13.331 5.336 1.00 0.00 C ATOM 558 O LEU A 39 60.595 12.540 4.544 1.00 0.00 O ATOM 559 CB LEU A 39 57.921 12.783 6.532 1.00 0.00 C ATOM 560 CG LEU A 39 57.333 11.587 7.329 1.00 0.00 C ATOM 561 CD1 LEU A 39 58.160 11.268 8.589 1.00 0.00 C ATOM 562 CD2 LEU A 39 55.912 11.933 7.767 1.00 0.00 C ATOM 0 H LEU A 39 59.067 14.348 8.075 1.00 0.00 H new ATOM 0 HA LEU A 39 59.802 11.811 6.828 1.00 0.00 H new ATOM 0 HB2 LEU A 39 57.503 13.715 6.912 1.00 0.00 H new ATOM 0 HB3 LEU A 39 57.627 12.704 5.485 1.00 0.00 H new ATOM 0 HG LEU A 39 57.350 10.715 6.676 1.00 0.00 H new ATOM 0 HD11 LEU A 39 57.712 10.425 9.115 1.00 0.00 H new ATOM 0 HD12 LEU A 39 59.180 11.015 8.300 1.00 0.00 H new ATOM 0 HD13 LEU A 39 58.174 12.138 9.245 1.00 0.00 H new ATOM 0 HD21 LEU A 39 55.491 11.099 8.328 1.00 0.00 H new ATOM 0 HD22 LEU A 39 55.932 12.821 8.398 1.00 0.00 H new ATOM 0 HD23 LEU A 39 55.297 12.127 6.888 1.00 0.00 H new ATOM 574 N CYS A 40 60.244 14.652 5.172 1.00 0.00 N ATOM 575 CA CYS A 40 60.981 15.206 3.991 1.00 0.00 C ATOM 576 C CYS A 40 62.480 14.860 4.161 1.00 0.00 C ATOM 577 O CYS A 40 63.167 14.654 3.173 1.00 0.00 O ATOM 578 CB CYS A 40 60.725 16.732 3.861 1.00 0.00 C ATOM 579 SG CYS A 40 62.143 17.721 4.432 1.00 0.00 S ATOM 0 H CYS A 40 59.864 15.352 5.809 1.00 0.00 H new ATOM 0 HA CYS A 40 60.625 14.761 3.062 1.00 0.00 H new ATOM 0 HB2 CYS A 40 60.511 16.975 2.820 1.00 0.00 H new ATOM 0 HB3 CYS A 40 59.841 17.001 4.439 1.00 0.00 H new ATOM 0 HG CYS A 40 61.723 18.874 4.862 1.00 0.00 H new ATOM 585 N PHE A 41 62.970 14.701 5.406 1.00 0.00 N ATOM 586 CA PHE A 41 64.371 14.259 5.618 1.00 0.00 C ATOM 587 C PHE A 41 64.436 12.855 5.070 1.00 0.00 C ATOM 588 O PHE A 41 65.283 12.587 4.256 1.00 0.00 O ATOM 589 CB PHE A 41 64.709 14.338 7.140 1.00 0.00 C ATOM 590 CG PHE A 41 65.433 13.151 7.717 1.00 0.00 C ATOM 591 CD1 PHE A 41 66.814 13.146 7.728 1.00 0.00 C ATOM 592 CD2 PHE A 41 64.731 12.132 8.371 1.00 0.00 C ATOM 593 CE1 PHE A 41 67.503 12.156 8.392 1.00 0.00 C ATOM 594 CE2 PHE A 41 65.419 11.120 9.004 1.00 0.00 C ATOM 595 CZ PHE A 41 66.811 11.129 9.037 1.00 0.00 C ATOM 0 H PHE A 41 62.438 14.865 6.261 1.00 0.00 H new ATOM 0 HA PHE A 41 65.107 14.885 5.114 1.00 0.00 H new ATOM 0 HB2 PHE A 41 65.316 15.227 7.312 1.00 0.00 H new ATOM 0 HB3 PHE A 41 63.779 14.475 7.692 1.00 0.00 H new ATOM 0 HD1 PHE A 41 67.357 13.924 7.212 1.00 0.00 H new ATOM 0 HD2 PHE A 41 63.651 12.139 8.379 1.00 0.00 H new ATOM 0 HE1 PHE A 41 68.583 12.174 8.414 1.00 0.00 H new ATOM 0 HE2 PHE A 41 64.876 10.315 9.477 1.00 0.00 H new ATOM 0 HZ PHE A 41 67.350 10.350 9.556 1.00 0.00 H new ATOM 605 N LEU A 42 63.504 11.981 5.442 1.00 0.00 N ATOM 606 CA LEU A 42 63.511 10.602 4.864 1.00 0.00 C ATOM 607 C LEU A 42 63.387 10.688 3.334 1.00 0.00 C ATOM 608 O LEU A 42 63.939 9.868 2.646 1.00 0.00 O ATOM 609 CB LEU A 42 62.352 9.781 5.460 1.00 0.00 C ATOM 610 CG LEU A 42 62.875 8.732 6.439 1.00 0.00 C ATOM 611 CD1 LEU A 42 63.510 9.440 7.618 1.00 0.00 C ATOM 612 CD2 LEU A 42 61.716 7.869 6.932 1.00 0.00 C ATOM 0 H LEU A 42 62.757 12.171 6.110 1.00 0.00 H new ATOM 0 HA LEU A 42 64.448 10.104 5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 42 61.655 10.446 5.971 1.00 0.00 H new ATOM 0 HB3 LEU A 42 61.797 9.292 4.659 1.00 0.00 H new ATOM 0 HG LEU A 42 63.610 8.098 5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 42 63.888 8.702 8.325 1.00 0.00 H new ATOM 0 HD12 LEU A 42 64.334 10.062 7.268 1.00 0.00 H new ATOM 0 HD13 LEU A 42 62.766 10.066 8.110 1.00 0.00 H new ATOM 0 HD21 LEU A 42 62.091 7.121 7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 42 60.982 8.499 7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 42 61.247 7.371 6.084 1.00 0.00 H new ATOM 624 N ARG A 43 62.717 11.699 2.796 1.00 0.00 N ATOM 625 CA ARG A 43 62.640 11.839 1.313 1.00 0.00 C ATOM 626 C ARG A 43 64.043 12.271 0.761 1.00 0.00 C ATOM 627 O ARG A 43 64.358 11.979 -0.382 1.00 0.00 O ATOM 628 CB ARG A 43 61.493 12.846 0.970 1.00 0.00 C ATOM 629 CG ARG A 43 61.933 13.990 0.031 1.00 0.00 C ATOM 630 CD ARG A 43 61.920 13.502 -1.425 1.00 0.00 C ATOM 631 NE ARG A 43 62.591 14.513 -2.313 1.00 0.00 N ATOM 632 CZ ARG A 43 63.835 14.855 -2.120 1.00 0.00 C ATOM 633 NH1 ARG A 43 64.787 14.004 -2.348 1.00 0.00 N ATOM 634 NH2 ARG A 43 64.115 16.047 -1.698 1.00 0.00 N ATOM 0 H ARG A 43 62.228 12.421 3.326 1.00 0.00 H new ATOM 0 HA ARG A 43 62.396 10.894 0.828 1.00 0.00 H new ATOM 0 HB2 ARG A 43 60.671 12.302 0.505 1.00 0.00 H new ATOM 0 HB3 ARG A 43 61.109 13.275 1.896 1.00 0.00 H new ATOM 0 HG2 ARG A 43 61.264 14.843 0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 43 62.933 14.330 0.301 1.00 0.00 H new ATOM 0 HD2 ARG A 43 62.433 12.543 -1.500 1.00 0.00 H new ATOM 0 HD3 ARG A 43 60.893 13.341 -1.754 1.00 0.00 H new ATOM 0 HE ARG A 43 62.066 14.938 -3.077 1.00 0.00 H new ATOM 0 HH11 ARG A 43 64.564 13.065 -2.679 1.00 0.00 H new ATOM 0 HH12 ARG A 43 65.759 14.273 -2.196 1.00 0.00 H new ATOM 0 HH21 ARG A 43 63.364 16.714 -1.518 1.00 0.00 H new ATOM 0 HH22 ARG A 43 65.086 16.319 -1.546 1.00 0.00 H new ATOM 648 N SER A 44 64.883 12.969 1.547 1.00 0.00 N ATOM 649 CA SER A 44 66.225 13.414 1.013 1.00 0.00 C ATOM 650 C SER A 44 67.406 13.200 2.020 1.00 0.00 C ATOM 651 O SER A 44 68.294 14.030 2.052 1.00 0.00 O ATOM 652 CB SER A 44 66.098 14.910 0.669 1.00 0.00 C ATOM 653 OG SER A 44 66.716 15.166 -0.590 1.00 0.00 O ATOM 0 H SER A 44 64.689 13.237 2.512 1.00 0.00 H new ATOM 0 HA SER A 44 66.469 12.805 0.142 1.00 0.00 H new ATOM 0 HB2 SER A 44 65.047 15.198 0.635 1.00 0.00 H new ATOM 0 HB3 SER A 44 66.568 15.513 1.446 1.00 0.00 H new ATOM 0 HG SER A 44 66.920 16.121 -0.666 1.00 0.00 H new ATOM 659 N LEU A 45 67.446 12.113 2.825 1.00 0.00 N ATOM 660 CA LEU A 45 68.617 11.854 3.793 1.00 0.00 C ATOM 661 C LEU A 45 69.950 11.729 2.986 1.00 0.00 C ATOM 662 O LEU A 45 70.436 10.627 2.741 1.00 0.00 O ATOM 663 CB LEU A 45 68.350 10.499 4.460 1.00 0.00 C ATOM 664 CG LEU A 45 67.864 10.632 5.865 1.00 0.00 C ATOM 665 CD1 LEU A 45 66.368 10.632 5.823 1.00 0.00 C ATOM 666 CD2 LEU A 45 68.304 9.428 6.676 1.00 0.00 C ATOM 0 H LEU A 45 66.718 11.399 2.849 1.00 0.00 H new ATOM 0 HA LEU A 45 68.700 12.665 4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.611 9.951 3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 45 69.266 9.908 4.452 1.00 0.00 H new ATOM 0 HG LEU A 45 68.260 11.543 6.314 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.976 10.728 6.835 1.00 0.00 H new ATOM 0 HD12 LEU A 45 66.021 11.470 5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 45 66.016 9.698 5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 45 67.947 9.529 7.701 1.00 0.00 H new ATOM 0 HD22 LEU A 45 67.889 8.521 6.235 1.00 0.00 H new ATOM 0 HD23 LEU A 45 69.392 9.367 6.675 1.00 0.00 H new ATOM 678 N GLY A 46 70.483 12.835 2.469 1.00 0.00 N ATOM 679 CA GLY A 46 71.697 12.777 1.562 1.00 0.00 C ATOM 680 C GLY A 46 71.390 11.855 0.337 1.00 0.00 C ATOM 681 O GLY A 46 72.291 11.428 -0.351 1.00 0.00 O ATOM 0 H GLY A 46 70.126 13.775 2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 46 71.957 13.779 1.220 1.00 0.00 H new ATOM 0 HA3 GLY A 46 72.557 12.395 2.112 1.00 0.00 H new ATOM 685 N ILE A 47 70.103 11.535 0.111 1.00 0.00 N ATOM 686 CA ILE A 47 69.581 10.626 -0.974 1.00 0.00 C ATOM 687 C ILE A 47 70.198 9.193 -1.011 1.00 0.00 C ATOM 688 O ILE A 47 69.537 8.301 -1.516 1.00 0.00 O ATOM 689 CB ILE A 47 69.455 11.296 -2.362 1.00 0.00 C ATOM 690 CG1 ILE A 47 70.068 12.719 -2.407 1.00 0.00 C ATOM 691 CG2 ILE A 47 67.943 11.386 -2.669 1.00 0.00 C ATOM 692 CD1 ILE A 47 69.211 13.713 -1.605 1.00 0.00 C ATOM 0 H ILE A 47 69.353 11.908 0.692 1.00 0.00 H new ATOM 0 HA ILE A 47 68.554 10.443 -0.659 1.00 0.00 H new ATOM 0 HB ILE A 47 70.003 10.703 -3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.080 12.696 -2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.146 13.053 -3.442 1.00 0.00 H new ATOM 0 HG21 ILE A 47 67.797 11.854 -3.643 1.00 0.00 H new ATOM 0 HG22 ILE A 47 67.514 10.384 -2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 47 67.451 11.984 -1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.663 14.704 -1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 47 68.207 13.751 -2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 47 69.155 13.389 -0.566 1.00 0.00 H new ATOM 704 N ASP A 48 71.349 8.907 -0.386 1.00 0.00 N ATOM 705 CA ASP A 48 71.832 7.480 -0.303 1.00 0.00 C ATOM 706 C ASP A 48 70.853 6.747 0.640 1.00 0.00 C ATOM 707 O ASP A 48 70.636 5.560 0.491 1.00 0.00 O ATOM 708 CB ASP A 48 73.267 7.395 0.252 1.00 0.00 C ATOM 709 CG ASP A 48 73.678 5.918 0.386 1.00 0.00 C ATOM 710 OD1 ASP A 48 74.038 5.325 -0.614 1.00 0.00 O ATOM 711 OD2 ASP A 48 73.587 5.394 1.483 1.00 0.00 O ATOM 0 H ASP A 48 71.956 9.596 0.059 1.00 0.00 H new ATOM 0 HA ASP A 48 71.857 7.029 -1.295 1.00 0.00 H new ATOM 0 HB2 ASP A 48 73.957 7.917 -0.412 1.00 0.00 H new ATOM 0 HB3 ASP A 48 73.323 7.889 1.222 1.00 0.00 H new ATOM 716 N TYR A 49 70.185 7.458 1.566 1.00 0.00 N ATOM 717 CA TYR A 49 69.174 6.783 2.396 1.00 0.00 C ATOM 718 C TYR A 49 67.946 6.456 1.474 1.00 0.00 C ATOM 719 O TYR A 49 67.126 5.643 1.799 1.00 0.00 O ATOM 720 CB TYR A 49 68.740 7.649 3.596 1.00 0.00 C ATOM 721 CG TYR A 49 67.437 7.148 4.076 1.00 0.00 C ATOM 722 CD1 TYR A 49 67.351 5.892 4.617 1.00 0.00 C ATOM 723 CD2 TYR A 49 66.312 7.889 3.832 1.00 0.00 C ATOM 724 CE1 TYR A 49 66.130 5.369 4.919 1.00 0.00 C ATOM 725 CE2 TYR A 49 65.089 7.402 4.132 1.00 0.00 C ATOM 726 CZ TYR A 49 64.966 6.120 4.682 1.00 0.00 C ATOM 727 OH TYR A 49 63.725 5.604 4.982 1.00 0.00 O ATOM 0 H TYR A 49 70.317 8.452 1.753 1.00 0.00 H new ATOM 0 HA TYR A 49 69.598 5.870 2.815 1.00 0.00 H new ATOM 0 HB2 TYR A 49 69.484 7.598 4.391 1.00 0.00 H new ATOM 0 HB3 TYR A 49 68.660 8.695 3.301 1.00 0.00 H new ATOM 0 HD1 TYR A 49 68.247 5.319 4.803 1.00 0.00 H new ATOM 0 HD2 TYR A 49 66.404 8.873 3.395 1.00 0.00 H new ATOM 0 HE1 TYR A 49 66.056 4.377 5.341 1.00 0.00 H new ATOM 0 HE2 TYR A 49 64.208 7.999 3.948 1.00 0.00 H new ATOM 0 HH TYR A 49 63.034 6.260 4.754 1.00 0.00 H new ATOM 737 N LEU A 50 67.796 7.059 0.322 1.00 0.00 N ATOM 738 CA LEU A 50 66.627 6.675 -0.542 1.00 0.00 C ATOM 739 C LEU A 50 67.060 5.512 -1.414 1.00 0.00 C ATOM 740 O LEU A 50 66.275 4.627 -1.702 1.00 0.00 O ATOM 741 CB LEU A 50 65.971 7.900 -1.161 1.00 0.00 C ATOM 742 CG LEU A 50 65.233 8.597 0.030 1.00 0.00 C ATOM 743 CD1 LEU A 50 64.294 7.590 0.745 1.00 0.00 C ATOM 744 CD2 LEU A 50 66.261 8.993 1.086 1.00 0.00 C ATOM 0 H LEU A 50 68.410 7.781 -0.054 1.00 0.00 H new ATOM 0 HA LEU A 50 65.774 6.278 0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 50 66.711 8.562 -1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 50 65.273 7.620 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 50 64.682 9.449 -0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 50 63.787 8.089 1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 50 63.554 7.217 0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 50 64.881 6.756 1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 50 65.756 9.480 1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 50 66.777 8.102 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 50 66.985 9.681 0.649 1.00 0.00 H new ATOM 756 N ASP A 51 68.371 5.387 -1.556 1.00 0.00 N ATOM 757 CA ASP A 51 68.972 4.168 -2.070 1.00 0.00 C ATOM 758 C ASP A 51 68.621 3.140 -0.927 1.00 0.00 C ATOM 759 O ASP A 51 68.189 2.058 -1.204 1.00 0.00 O ATOM 760 CB ASP A 51 70.459 4.475 -2.190 1.00 0.00 C ATOM 761 CG ASP A 51 71.041 3.798 -3.430 1.00 0.00 C ATOM 762 OD1 ASP A 51 71.339 2.616 -3.349 1.00 0.00 O ATOM 763 OD2 ASP A 51 71.172 4.466 -4.435 1.00 0.00 O ATOM 0 H ASP A 51 69.041 6.119 -1.321 1.00 0.00 H new ATOM 0 HA ASP A 51 68.643 3.792 -3.038 1.00 0.00 H new ATOM 0 HB2 ASP A 51 70.611 5.553 -2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 51 70.982 4.129 -1.299 1.00 0.00 H new ATOM 768 N ALA A 52 68.673 3.592 0.374 1.00 0.00 N ATOM 769 CA ALA A 52 68.199 2.777 1.583 1.00 0.00 C ATOM 770 C ALA A 52 66.737 2.416 1.337 1.00 0.00 C ATOM 771 O ALA A 52 66.396 1.241 1.356 1.00 0.00 O ATOM 772 CB ALA A 52 68.252 3.611 2.913 1.00 0.00 C ATOM 0 H ALA A 52 69.035 4.512 0.624 1.00 0.00 H new ATOM 0 HA ALA A 52 68.847 1.907 1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 52 67.908 2.994 3.743 1.00 0.00 H new ATOM 0 HB2 ALA A 52 69.277 3.932 3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 52 67.609 4.486 2.820 1.00 0.00 H new ATOM 778 N SER A 53 65.865 3.412 1.074 1.00 0.00 N ATOM 779 CA SER A 53 64.417 3.081 0.782 1.00 0.00 C ATOM 780 C SER A 53 64.307 2.028 -0.363 1.00 0.00 C ATOM 781 O SER A 53 63.314 1.324 -0.459 1.00 0.00 O ATOM 782 CB SER A 53 63.672 4.349 0.371 1.00 0.00 C ATOM 783 OG SER A 53 62.305 4.235 0.757 1.00 0.00 O ATOM 0 H SER A 53 66.099 4.404 1.053 1.00 0.00 H new ATOM 0 HA SER A 53 63.973 2.664 1.686 1.00 0.00 H new ATOM 0 HB2 SER A 53 64.124 5.221 0.844 1.00 0.00 H new ATOM 0 HB3 SER A 53 63.747 4.496 -0.706 1.00 0.00 H new ATOM 0 HG SER A 53 61.823 5.047 0.497 1.00 0.00 H new ATOM 789 N LEU A 54 65.317 1.917 -1.222 1.00 0.00 N ATOM 790 CA LEU A 54 65.290 0.929 -2.349 1.00 0.00 C ATOM 791 C LEU A 54 66.342 -0.222 -2.192 1.00 0.00 C ATOM 792 O LEU A 54 66.469 -1.014 -3.108 1.00 0.00 O ATOM 793 CB LEU A 54 65.571 1.691 -3.657 1.00 0.00 C ATOM 794 CG LEU A 54 64.265 2.267 -4.227 1.00 0.00 C ATOM 795 CD1 LEU A 54 64.181 3.764 -3.922 1.00 0.00 C ATOM 796 CD2 LEU A 54 64.240 2.064 -5.743 1.00 0.00 C ATOM 0 H LEU A 54 66.165 2.482 -1.179 1.00 0.00 H new ATOM 0 HA LEU A 54 64.308 0.456 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 54 66.282 2.496 -3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 54 66.030 1.022 -4.385 1.00 0.00 H new ATOM 0 HG LEU A 54 63.419 1.755 -3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 54 63.253 4.167 -4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 54 64.201 3.917 -2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 54 65.029 4.276 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 54 63.314 2.472 -6.149 1.00 0.00 H new ATOM 0 HD22 LEU A 54 65.091 2.576 -6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 54 64.297 0.999 -5.968 1.00 0.00 H new ATOM 808 N ARG A 55 67.106 -0.337 -1.082 1.00 0.00 N ATOM 809 CA ARG A 55 68.136 -1.461 -0.974 1.00 0.00 C ATOM 810 C ARG A 55 67.444 -2.838 -1.080 1.00 0.00 C ATOM 811 O ARG A 55 67.407 -3.381 -2.164 1.00 0.00 O ATOM 812 CB ARG A 55 68.975 -1.362 0.332 1.00 0.00 C ATOM 813 CG ARG A 55 69.637 0.020 0.476 1.00 0.00 C ATOM 814 CD ARG A 55 70.732 0.245 -0.580 1.00 0.00 C ATOM 815 NE ARG A 55 71.948 0.822 0.085 1.00 0.00 N ATOM 816 CZ ARG A 55 72.223 2.100 -0.001 1.00 0.00 C ATOM 817 NH1 ARG A 55 71.738 2.925 0.872 1.00 0.00 N ATOM 818 NH2 ARG A 55 72.981 2.537 -0.954 1.00 0.00 N ATOM 0 H ARG A 55 67.056 0.284 -0.275 1.00 0.00 H new ATOM 0 HA ARG A 55 68.829 -1.351 -1.808 1.00 0.00 H new ATOM 0 HB2 ARG A 55 68.333 -1.550 1.193 1.00 0.00 H new ATOM 0 HB3 ARG A 55 69.743 -2.136 0.332 1.00 0.00 H new ATOM 0 HG2 ARG A 55 68.878 0.797 0.383 1.00 0.00 H new ATOM 0 HG3 ARG A 55 70.069 0.113 1.472 1.00 0.00 H new ATOM 0 HD2 ARG A 55 70.982 -0.697 -1.068 1.00 0.00 H new ATOM 0 HD3 ARG A 55 70.372 0.921 -1.356 1.00 0.00 H new ATOM 0 HE ARG A 55 72.570 0.209 0.612 1.00 0.00 H new ATOM 0 HH11 ARG A 55 71.143 2.579 1.625 1.00 0.00 H new ATOM 0 HH12 ARG A 55 71.951 3.920 0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 55 73.365 1.886 -1.639 1.00 0.00 H new ATOM 0 HH22 ARG A 55 73.195 3.532 -1.020 1.00 0.00 H new ATOM 832 N LYS A 56 66.908 -3.406 0.009 1.00 0.00 N ATOM 833 CA LYS A 56 66.225 -4.771 -0.037 1.00 0.00 C ATOM 834 C LYS A 56 67.251 -5.867 -0.443 1.00 0.00 C ATOM 835 O LYS A 56 67.659 -6.673 0.378 1.00 0.00 O ATOM 836 CB LYS A 56 65.032 -4.741 -1.026 1.00 0.00 C ATOM 837 CG LYS A 56 63.704 -4.618 -0.259 1.00 0.00 C ATOM 838 CD LYS A 56 63.591 -3.234 0.410 1.00 0.00 C ATOM 839 CE LYS A 56 63.381 -2.138 -0.648 1.00 0.00 C ATOM 840 NZ LYS A 56 62.357 -1.160 -0.163 1.00 0.00 N ATOM 0 H LYS A 56 66.917 -2.975 0.933 1.00 0.00 H new ATOM 0 HA LYS A 56 65.840 -5.009 0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 56 65.142 -3.902 -1.713 1.00 0.00 H new ATOM 0 HB3 LYS A 56 65.028 -5.649 -1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 56 62.868 -4.767 -0.942 1.00 0.00 H new ATOM 0 HG3 LYS A 56 63.641 -5.400 0.498 1.00 0.00 H new ATOM 0 HD2 LYS A 56 62.759 -3.231 1.115 1.00 0.00 H new ATOM 0 HD3 LYS A 56 64.495 -3.026 0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 56 64.322 -1.626 -0.847 1.00 0.00 H new ATOM 0 HE3 LYS A 56 63.056 -2.584 -1.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 62.568 -0.217 -0.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 61.413 -1.460 -0.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 62.378 -1.122 0.876 1.00 0.00 H new ATOM 854 N LYS A 57 67.684 -5.868 -1.690 1.00 0.00 N ATOM 855 CA LYS A 57 68.711 -6.838 -2.185 1.00 0.00 C ATOM 856 C LYS A 57 69.840 -6.066 -2.944 1.00 0.00 C ATOM 857 O LYS A 57 70.522 -6.633 -3.780 1.00 0.00 O ATOM 858 CB LYS A 57 68.023 -7.863 -3.111 1.00 0.00 C ATOM 859 CG LYS A 57 68.670 -9.257 -2.960 1.00 0.00 C ATOM 860 CD LYS A 57 68.520 -9.799 -1.520 1.00 0.00 C ATOM 861 CE LYS A 57 67.038 -9.966 -1.142 1.00 0.00 C ATOM 862 NZ LYS A 57 66.812 -9.436 0.240 1.00 0.00 N ATOM 0 H LYS A 57 67.354 -5.215 -2.401 1.00 0.00 H new ATOM 0 HA LYS A 57 69.166 -7.368 -1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 57 66.961 -7.922 -2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 57 68.098 -7.532 -4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 57 68.208 -9.952 -3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 57 69.727 -9.199 -3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 57 69.031 -10.758 -1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 57 69.002 -9.117 -0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 57 66.408 -9.434 -1.855 1.00 0.00 H new ATOM 0 HE3 LYS A 57 66.756 -11.018 -1.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 65.804 -9.518 0.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 67.377 -9.985 0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 67.098 -8.437 0.280 1.00 0.00 H new ATOM 876 N ASN A 58 70.037 -4.775 -2.642 1.00 0.00 N ATOM 877 CA ASN A 58 71.105 -3.948 -3.307 1.00 0.00 C ATOM 878 C ASN A 58 72.499 -4.438 -2.863 1.00 0.00 C ATOM 879 O ASN A 58 73.056 -5.277 -3.547 1.00 0.00 O ATOM 880 CB ASN A 58 70.834 -2.460 -2.932 1.00 0.00 C ATOM 881 CG ASN A 58 71.855 -1.471 -3.521 1.00 0.00 C ATOM 882 OD1 ASN A 58 73.020 -1.763 -3.670 1.00 0.00 O ATOM 883 ND2 ASN A 58 71.457 -0.287 -3.848 1.00 0.00 N ATOM 0 H ASN A 58 69.486 -4.266 -1.950 1.00 0.00 H new ATOM 0 HA ASN A 58 71.082 -4.046 -4.392 1.00 0.00 H new ATOM 0 HB2 ASN A 58 69.837 -2.185 -3.276 1.00 0.00 H new ATOM 0 HB3 ASN A 58 70.835 -2.364 -1.846 1.00 0.00 H new ATOM 0 HD21 ASN A 58 72.122 0.388 -4.226 1.00 0.00 H new ATOM 0 HD22 ASN A 58 70.478 -0.027 -3.728 1.00 0.00 H new ATOM 890 N LYS A 59 73.084 -3.894 -1.783 1.00 0.00 N ATOM 891 CA LYS A 59 74.489 -4.273 -1.346 1.00 0.00 C ATOM 892 C LYS A 59 75.452 -3.732 -2.432 1.00 0.00 C ATOM 893 O LYS A 59 76.119 -2.732 -2.235 1.00 0.00 O ATOM 894 CB LYS A 59 74.637 -5.804 -1.162 1.00 0.00 C ATOM 895 CG LYS A 59 74.815 -6.126 0.326 1.00 0.00 C ATOM 896 CD LYS A 59 74.924 -7.644 0.514 1.00 0.00 C ATOM 897 CE LYS A 59 74.883 -7.985 2.009 1.00 0.00 C ATOM 898 NZ LYS A 59 75.041 -9.462 2.189 1.00 0.00 N ATOM 0 H LYS A 59 72.635 -3.198 -1.187 1.00 0.00 H new ATOM 0 HA LYS A 59 74.721 -3.838 -0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 59 73.757 -6.315 -1.553 1.00 0.00 H new ATOM 0 HB3 LYS A 59 75.494 -6.168 -1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 59 75.710 -5.637 0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 59 73.971 -5.738 0.896 1.00 0.00 H new ATOM 0 HD2 LYS A 59 74.106 -8.144 -0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 59 75.852 -8.009 0.073 1.00 0.00 H new ATOM 0 HE2 LYS A 59 75.678 -7.457 2.535 1.00 0.00 H new ATOM 0 HE3 LYS A 59 73.939 -7.654 2.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 75.013 -9.693 3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 74.268 -9.956 1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 75.952 -9.765 1.790 1.00 0.00 H new ATOM 912 N GLN A 60 75.441 -4.344 -3.599 1.00 0.00 N ATOM 913 CA GLN A 60 76.240 -3.869 -4.763 1.00 0.00 C ATOM 914 C GLN A 60 75.281 -3.688 -5.982 1.00 0.00 C ATOM 915 O GLN A 60 75.695 -3.823 -7.123 1.00 0.00 O ATOM 916 CB GLN A 60 77.341 -4.904 -5.073 1.00 0.00 C ATOM 917 CG GLN A 60 78.682 -4.420 -4.503 1.00 0.00 C ATOM 918 CD GLN A 60 79.270 -3.330 -5.404 1.00 0.00 C ATOM 919 OE1 GLN A 60 79.805 -3.617 -6.453 1.00 0.00 O ATOM 920 NE2 GLN A 60 79.195 -2.084 -5.042 1.00 0.00 N ATOM 0 H GLN A 60 74.889 -5.181 -3.790 1.00 0.00 H new ATOM 0 HA GLN A 60 76.717 -2.914 -4.544 1.00 0.00 H new ATOM 0 HB2 GLN A 60 77.078 -5.869 -4.640 1.00 0.00 H new ATOM 0 HB3 GLN A 60 77.424 -5.049 -6.150 1.00 0.00 H new ATOM 0 HG2 GLN A 60 78.539 -4.032 -3.494 1.00 0.00 H new ATOM 0 HG3 GLN A 60 79.378 -5.256 -4.428 1.00 0.00 H new ATOM 0 HE21 GLN A 60 78.746 -1.835 -4.161 1.00 0.00 H new ATOM 0 HE22 GLN A 60 79.585 -1.355 -5.639 1.00 0.00 H new ATOM 929 N ARG A 61 73.993 -3.366 -5.748 1.00 0.00 N ATOM 930 CA ARG A 61 73.018 -3.168 -6.886 1.00 0.00 C ATOM 931 C ARG A 61 73.419 -1.948 -7.728 1.00 0.00 C ATOM 932 O ARG A 61 73.195 -1.938 -8.915 1.00 0.00 O ATOM 933 CB ARG A 61 71.583 -2.959 -6.373 1.00 0.00 C ATOM 934 CG ARG A 61 70.601 -4.139 -6.702 1.00 0.00 C ATOM 935 CD ARG A 61 71.280 -5.408 -7.268 1.00 0.00 C ATOM 936 NE ARG A 61 72.117 -6.079 -6.215 1.00 0.00 N ATOM 937 CZ ARG A 61 72.456 -7.324 -6.350 1.00 0.00 C ATOM 938 NH1 ARG A 61 73.531 -7.635 -7.003 1.00 0.00 N ATOM 939 NH2 ARG A 61 71.728 -8.249 -5.811 1.00 0.00 N ATOM 0 H ARG A 61 73.594 -3.236 -4.818 1.00 0.00 H new ATOM 0 HA ARG A 61 73.048 -4.072 -7.494 1.00 0.00 H new ATOM 0 HB2 ARG A 61 71.613 -2.817 -5.293 1.00 0.00 H new ATOM 0 HB3 ARG A 61 71.186 -2.040 -6.804 1.00 0.00 H new ATOM 0 HG2 ARG A 61 70.060 -4.407 -5.794 1.00 0.00 H new ATOM 0 HG3 ARG A 61 69.861 -3.788 -7.422 1.00 0.00 H new ATOM 0 HD2 ARG A 61 70.521 -6.101 -7.632 1.00 0.00 H new ATOM 0 HD3 ARG A 61 71.904 -5.142 -8.121 1.00 0.00 H new ATOM 0 HE ARG A 61 72.419 -5.555 -5.394 1.00 0.00 H new ATOM 0 HH11 ARG A 61 74.110 -6.901 -7.411 1.00 0.00 H new ATOM 0 HH12 ARG A 61 73.798 -8.614 -7.109 1.00 0.00 H new ATOM 0 HH21 ARG A 61 70.892 -7.997 -5.283 1.00 0.00 H new ATOM 0 HH22 ARG A 61 71.990 -9.229 -5.914 1.00 0.00 H new ATOM 953 N LEU A 62 74.024 -0.929 -7.122 1.00 0.00 N ATOM 954 CA LEU A 62 74.470 0.288 -7.899 1.00 0.00 C ATOM 955 C LEU A 62 75.430 -0.161 -9.031 1.00 0.00 C ATOM 956 O LEU A 62 75.327 0.303 -10.152 1.00 0.00 O ATOM 957 CB LEU A 62 75.176 1.277 -6.952 1.00 0.00 C ATOM 958 CG LEU A 62 74.165 1.830 -5.929 1.00 0.00 C ATOM 959 CD1 LEU A 62 74.739 1.715 -4.517 1.00 0.00 C ATOM 960 CD2 LEU A 62 73.875 3.300 -6.230 1.00 0.00 C ATOM 0 H LEU A 62 74.225 -0.893 -6.123 1.00 0.00 H new ATOM 0 HA LEU A 62 73.607 0.788 -8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 62 75.995 0.778 -6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 62 75.612 2.095 -7.525 1.00 0.00 H new ATOM 0 HG LEU A 62 73.243 1.252 -5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 62 74.019 2.108 -3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 62 74.943 0.668 -4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 62 75.665 2.287 -4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 62 73.160 3.686 -5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 62 74.800 3.873 -6.168 1.00 0.00 H new ATOM 0 HD23 LEU A 62 73.458 3.391 -7.233 1.00 0.00 H new ATOM 972 N LYS A 63 76.316 -1.108 -8.742 1.00 0.00 N ATOM 973 CA LYS A 63 77.245 -1.658 -9.791 1.00 0.00 C ATOM 974 C LYS A 63 76.526 -2.790 -10.579 1.00 0.00 C ATOM 975 O LYS A 63 76.805 -3.006 -11.746 1.00 0.00 O ATOM 976 CB LYS A 63 78.512 -2.211 -9.118 1.00 0.00 C ATOM 977 CG LYS A 63 79.730 -1.942 -10.012 1.00 0.00 C ATOM 978 CD LYS A 63 81.007 -2.424 -9.310 1.00 0.00 C ATOM 979 CE LYS A 63 81.199 -3.931 -9.537 1.00 0.00 C ATOM 980 NZ LYS A 63 81.630 -4.578 -8.259 1.00 0.00 N ATOM 0 H LYS A 63 76.430 -1.521 -7.816 1.00 0.00 H new ATOM 0 HA LYS A 63 77.526 -0.863 -10.482 1.00 0.00 H new ATOM 0 HB2 LYS A 63 78.653 -1.742 -8.144 1.00 0.00 H new ATOM 0 HB3 LYS A 63 78.406 -3.282 -8.944 1.00 0.00 H new ATOM 0 HG2 LYS A 63 79.613 -2.456 -10.966 1.00 0.00 H new ATOM 0 HG3 LYS A 63 79.804 -0.877 -10.230 1.00 0.00 H new ATOM 0 HD2 LYS A 63 81.869 -1.878 -9.693 1.00 0.00 H new ATOM 0 HD3 LYS A 63 80.945 -2.214 -8.242 1.00 0.00 H new ATOM 0 HE2 LYS A 63 80.269 -4.378 -9.887 1.00 0.00 H new ATOM 0 HE3 LYS A 63 81.946 -4.100 -10.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 81.469 -5.604 -8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 82.642 -4.395 -8.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 81.080 -4.185 -7.468 1.00 0.00 H new ATOM 994 N ALA A 64 75.588 -3.500 -9.952 1.00 0.00 N ATOM 995 CA ALA A 64 74.832 -4.590 -10.664 1.00 0.00 C ATOM 996 C ALA A 64 73.751 -3.989 -11.600 1.00 0.00 C ATOM 997 O ALA A 64 73.246 -4.685 -12.462 1.00 0.00 O ATOM 998 CB ALA A 64 74.176 -5.511 -9.625 1.00 0.00 C ATOM 0 H ALA A 64 75.321 -3.363 -8.977 1.00 0.00 H new ATOM 0 HA ALA A 64 75.529 -5.163 -11.276 1.00 0.00 H new ATOM 0 HB1 ALA A 64 73.627 -6.302 -10.135 1.00 0.00 H new ATOM 0 HB2 ALA A 64 74.946 -5.953 -8.993 1.00 0.00 H new ATOM 0 HB3 ALA A 64 73.489 -4.932 -9.008 1.00 0.00 H new