USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=13 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 59 LYS NZ :NH3+ 134:sc= 2.25 (180deg=-0.326) USER MOD Set 1.2: A 60 GLN : amide:sc= 0.984 K(o=3.2,f=-7.7!) USER MOD Set 2.1: A 37 CYS SG : rot -21:sc= -1.66! USER MOD Set 2.2: A 40 CYS SG : rot -141:sc= -4.17! USER MOD Set 3.1: A 35 TYR OH : rot 75:sc= 0.719 USER MOD Set 3.2: A 36 HIS : no HE2:sc= -11.6! C(o=-11!,f=-15!) USER MOD Set 3.3: A 38 GLN : amide:sc= -0.0634 X(o=-11,f=-11) USER MOD Set 4.1: A 15 GLN : amide:sc= 0.45 K(o=0.86,f=-6.6!) USER MOD Set 4.2: A 17 SER OG : rot -100:sc= 0.413 USER MOD Set 5.1: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 13 ASN : amide:sc= 1.13 K(o=1.1,f=-0.41) USER MOD Single : A 16 LYS NZ :NH3+ 172:sc= 2.23 (180deg=2) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 34 ASN : amide:sc= -0.132 K(o=-0.13,f=-5.8!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -72:sc= 1.01 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0116) USER MOD Single : A 58 ASN : amide:sc= -1.23 K(o=-1.2,f=-7.7!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N ILE A 6 42.804 -8.974 8.155 1.00 0.00 N ATOM 98 CA ILE A 6 43.819 -9.162 9.257 1.00 0.00 C ATOM 99 C ILE A 6 43.449 -8.327 10.519 1.00 0.00 C ATOM 100 O ILE A 6 43.399 -7.113 10.454 1.00 0.00 O ATOM 101 CB ILE A 6 45.241 -8.797 8.769 1.00 0.00 C ATOM 102 CG1 ILE A 6 45.576 -9.593 7.493 1.00 0.00 C ATOM 103 CG2 ILE A 6 46.266 -9.140 9.862 1.00 0.00 C ATOM 104 CD1 ILE A 6 46.824 -9.007 6.825 1.00 0.00 C ATOM 0 HA ILE A 6 43.808 -10.216 9.534 1.00 0.00 H new ATOM 0 HB ILE A 6 45.279 -7.730 8.552 1.00 0.00 H new ATOM 0 HG12 ILE A 6 45.744 -10.641 7.741 1.00 0.00 H new ATOM 0 HG13 ILE A 6 44.734 -9.560 6.802 1.00 0.00 H new ATOM 0 HG21 ILE A 6 47.267 -8.882 9.516 1.00 0.00 H new ATOM 0 HG22 ILE A 6 46.037 -8.575 10.765 1.00 0.00 H new ATOM 0 HG23 ILE A 6 46.221 -10.207 10.081 1.00 0.00 H new ATOM 0 HD11 ILE A 6 47.055 -9.575 5.924 1.00 0.00 H new ATOM 0 HD12 ILE A 6 46.640 -7.966 6.561 1.00 0.00 H new ATOM 0 HD13 ILE A 6 47.666 -9.063 7.515 1.00 0.00 H new ATOM 116 N PRO A 7 43.235 -9.011 11.648 1.00 0.00 N ATOM 117 CA PRO A 7 42.911 -8.368 12.936 1.00 0.00 C ATOM 118 C PRO A 7 44.121 -7.598 13.518 1.00 0.00 C ATOM 119 O PRO A 7 45.244 -7.752 13.058 1.00 0.00 O ATOM 120 CB PRO A 7 42.465 -9.509 13.838 1.00 0.00 C ATOM 121 CG PRO A 7 43.051 -10.773 13.221 1.00 0.00 C ATOM 122 CD PRO A 7 43.310 -10.464 11.740 1.00 0.00 C ATOM 0 HA PRO A 7 42.133 -7.612 12.830 1.00 0.00 H new ATOM 0 HB2 PRO A 7 42.825 -9.367 14.857 1.00 0.00 H new ATOM 0 HB3 PRO A 7 41.378 -9.566 13.889 1.00 0.00 H new ATOM 0 HG2 PRO A 7 43.975 -11.056 13.724 1.00 0.00 H new ATOM 0 HG3 PRO A 7 42.361 -11.610 13.326 1.00 0.00 H new ATOM 0 HD2 PRO A 7 44.286 -10.831 11.423 1.00 0.00 H new ATOM 0 HD3 PRO A 7 42.567 -10.940 11.100 1.00 0.00 H new ATOM 130 N GLY A 8 43.888 -6.738 14.493 1.00 0.00 N ATOM 131 CA GLY A 8 45.001 -5.898 15.080 1.00 0.00 C ATOM 132 C GLY A 8 45.454 -4.828 14.050 1.00 0.00 C ATOM 133 O GLY A 8 46.553 -4.319 14.122 1.00 0.00 O ATOM 0 H GLY A 8 42.971 -6.580 14.911 1.00 0.00 H new ATOM 0 HA2 GLY A 8 44.659 -5.413 15.995 1.00 0.00 H new ATOM 0 HA3 GLY A 8 45.844 -6.534 15.352 1.00 0.00 H new ATOM 137 N THR A 9 44.600 -4.495 13.093 1.00 0.00 N ATOM 138 CA THR A 9 44.905 -3.489 12.031 1.00 0.00 C ATOM 139 C THR A 9 43.661 -3.290 11.112 1.00 0.00 C ATOM 140 O THR A 9 43.411 -2.199 10.694 1.00 0.00 O ATOM 141 CB THR A 9 46.114 -3.924 11.199 1.00 0.00 C ATOM 142 OG1 THR A 9 46.237 -3.112 10.035 1.00 0.00 O ATOM 143 CG2 THR A 9 45.925 -5.357 10.795 1.00 0.00 C ATOM 0 H THR A 9 43.669 -4.903 13.012 1.00 0.00 H new ATOM 0 HA THR A 9 45.147 -2.542 12.513 1.00 0.00 H new ATOM 0 HB THR A 9 47.021 -3.814 11.793 1.00 0.00 H new ATOM 0 HG1 THR A 9 47.015 -3.402 9.515 1.00 0.00 H new ATOM 0 HG21 THR A 9 46.779 -5.683 10.201 1.00 0.00 H new ATOM 0 HG22 THR A 9 45.845 -5.979 11.687 1.00 0.00 H new ATOM 0 HG23 THR A 9 45.014 -5.451 10.204 1.00 0.00 H new ATOM 151 N ALA A 10 42.885 -4.329 10.802 1.00 0.00 N ATOM 152 CA ALA A 10 41.655 -4.169 9.919 1.00 0.00 C ATOM 153 C ALA A 10 40.567 -3.382 10.675 1.00 0.00 C ATOM 154 O ALA A 10 40.126 -2.351 10.204 1.00 0.00 O ATOM 155 CB ALA A 10 41.140 -5.547 9.537 1.00 0.00 C ATOM 0 H ALA A 10 43.053 -5.282 11.124 1.00 0.00 H new ATOM 0 HA ALA A 10 41.916 -3.617 9.016 1.00 0.00 H new ATOM 0 HB1 ALA A 10 40.259 -5.443 8.904 1.00 0.00 H new ATOM 0 HB2 ALA A 10 41.915 -6.087 8.994 1.00 0.00 H new ATOM 0 HB3 ALA A 10 40.876 -6.100 10.439 1.00 0.00 H new ATOM 161 N GLU A 11 40.191 -3.811 11.871 1.00 0.00 N ATOM 162 CA GLU A 11 39.211 -3.005 12.702 1.00 0.00 C ATOM 163 C GLU A 11 39.871 -1.610 12.934 1.00 0.00 C ATOM 164 O GLU A 11 39.216 -0.583 12.882 1.00 0.00 O ATOM 165 CB GLU A 11 38.880 -3.736 14.037 1.00 0.00 C ATOM 166 CG GLU A 11 40.059 -3.721 15.044 1.00 0.00 C ATOM 167 CD GLU A 11 41.079 -4.808 14.698 1.00 0.00 C ATOM 168 OE1 GLU A 11 41.974 -4.520 13.933 1.00 0.00 O ATOM 169 OE2 GLU A 11 40.945 -5.912 15.193 1.00 0.00 O ATOM 0 H GLU A 11 40.516 -4.675 12.305 1.00 0.00 H new ATOM 0 HA GLU A 11 38.255 -2.886 12.191 1.00 0.00 H new ATOM 0 HB2 GLU A 11 38.011 -3.266 14.497 1.00 0.00 H new ATOM 0 HB3 GLU A 11 38.607 -4.769 13.821 1.00 0.00 H new ATOM 0 HG2 GLU A 11 40.542 -2.744 15.031 1.00 0.00 H new ATOM 0 HG3 GLU A 11 39.682 -3.877 16.055 1.00 0.00 H new ATOM 176 N GLU A 12 41.197 -1.608 13.080 1.00 0.00 N ATOM 177 CA GLU A 12 42.024 -0.357 13.199 1.00 0.00 C ATOM 178 C GLU A 12 41.810 0.506 11.919 1.00 0.00 C ATOM 179 O GLU A 12 41.615 1.704 11.987 1.00 0.00 O ATOM 180 CB GLU A 12 43.501 -0.809 13.260 1.00 0.00 C ATOM 181 CG GLU A 12 44.133 -0.539 14.622 1.00 0.00 C ATOM 182 CD GLU A 12 44.039 0.946 14.983 1.00 0.00 C ATOM 183 OE1 GLU A 12 44.638 1.745 14.289 1.00 0.00 O ATOM 184 OE2 GLU A 12 43.374 1.259 15.952 1.00 0.00 O ATOM 0 H GLU A 12 41.750 -2.464 13.122 1.00 0.00 H new ATOM 0 HA GLU A 12 41.750 0.226 14.079 1.00 0.00 H new ATOM 0 HB2 GLU A 12 43.562 -1.874 13.038 1.00 0.00 H new ATOM 0 HB3 GLU A 12 44.070 -0.290 12.489 1.00 0.00 H new ATOM 0 HG2 GLU A 12 43.632 -1.135 15.385 1.00 0.00 H new ATOM 0 HG3 GLU A 12 45.178 -0.849 14.611 1.00 0.00 H new ATOM 191 N ASN A 13 41.828 -0.147 10.757 1.00 0.00 N ATOM 192 CA ASN A 13 41.610 0.516 9.415 1.00 0.00 C ATOM 193 C ASN A 13 40.222 1.172 9.374 1.00 0.00 C ATOM 194 O ASN A 13 40.062 2.274 8.884 1.00 0.00 O ATOM 195 CB ASN A 13 41.701 -0.562 8.300 1.00 0.00 C ATOM 196 CG ASN A 13 43.107 -0.674 7.725 1.00 0.00 C ATOM 197 OD1 ASN A 13 43.314 -0.501 6.546 1.00 0.00 O ATOM 198 ND2 ASN A 13 44.087 -0.990 8.497 1.00 0.00 N ATOM 0 H ASN A 13 41.992 -1.152 10.690 1.00 0.00 H new ATOM 0 HA ASN A 13 42.371 1.281 9.260 1.00 0.00 H new ATOM 0 HB2 ASN A 13 41.397 -1.528 8.704 1.00 0.00 H new ATOM 0 HB3 ASN A 13 41.001 -0.316 7.501 1.00 0.00 H new ATOM 0 HD21 ASN A 13 45.026 -1.092 8.113 1.00 0.00 H new ATOM 0 HD22 ASN A 13 43.924 -1.138 9.493 1.00 0.00 H new ATOM 205 N LEU A 14 39.243 0.491 9.914 1.00 0.00 N ATOM 206 CA LEU A 14 37.837 1.025 9.973 1.00 0.00 C ATOM 207 C LEU A 14 37.759 2.194 10.977 1.00 0.00 C ATOM 208 O LEU A 14 37.099 3.186 10.723 1.00 0.00 O ATOM 209 CB LEU A 14 36.879 -0.085 10.384 1.00 0.00 C ATOM 210 CG LEU A 14 36.568 -0.990 9.178 1.00 0.00 C ATOM 211 CD1 LEU A 14 35.281 -1.712 9.465 1.00 0.00 C ATOM 212 CD2 LEU A 14 36.370 -0.192 7.877 1.00 0.00 C ATOM 0 H LEU A 14 39.357 -0.435 10.327 1.00 0.00 H new ATOM 0 HA LEU A 14 37.552 1.390 8.986 1.00 0.00 H new ATOM 0 HB2 LEU A 14 37.318 -0.676 11.188 1.00 0.00 H new ATOM 0 HB3 LEU A 14 35.956 0.346 10.773 1.00 0.00 H new ATOM 0 HG LEU A 14 37.412 -1.665 9.039 1.00 0.00 H new ATOM 0 HD11 LEU A 14 35.034 -2.363 8.626 1.00 0.00 H new ATOM 0 HD12 LEU A 14 35.394 -2.312 10.368 1.00 0.00 H new ATOM 0 HD13 LEU A 14 34.481 -0.986 9.609 1.00 0.00 H new ATOM 0 HD21 LEU A 14 36.153 -0.878 7.059 1.00 0.00 H new ATOM 0 HD22 LEU A 14 35.538 0.502 7.999 1.00 0.00 H new ATOM 0 HD23 LEU A 14 37.278 0.367 7.651 1.00 0.00 H new ATOM 224 N GLN A 15 38.457 2.083 12.102 1.00 0.00 N ATOM 225 CA GLN A 15 38.477 3.180 13.130 1.00 0.00 C ATOM 226 C GLN A 15 39.213 4.403 12.528 1.00 0.00 C ATOM 227 O GLN A 15 38.629 5.462 12.394 1.00 0.00 O ATOM 228 CB GLN A 15 39.204 2.663 14.387 1.00 0.00 C ATOM 229 CG GLN A 15 39.069 3.670 15.541 1.00 0.00 C ATOM 230 CD GLN A 15 40.456 4.121 16.003 1.00 0.00 C ATOM 231 OE1 GLN A 15 40.822 5.258 15.820 1.00 0.00 O ATOM 232 NE2 GLN A 15 41.252 3.278 16.590 1.00 0.00 N ATOM 0 H GLN A 15 39.017 1.266 12.346 1.00 0.00 H new ATOM 0 HA GLN A 15 37.466 3.478 13.408 1.00 0.00 H new ATOM 0 HB2 GLN A 15 38.787 1.701 14.685 1.00 0.00 H new ATOM 0 HB3 GLN A 15 40.258 2.498 14.162 1.00 0.00 H new ATOM 0 HG2 GLN A 15 38.486 4.532 15.217 1.00 0.00 H new ATOM 0 HG3 GLN A 15 38.530 3.215 16.372 1.00 0.00 H new ATOM 0 HE21 GLN A 15 40.950 2.317 16.748 1.00 0.00 H new ATOM 0 HE22 GLN A 15 42.179 3.578 16.893 1.00 0.00 H new ATOM 241 N LYS A 16 40.469 4.219 12.122 1.00 0.00 N ATOM 242 CA LYS A 16 41.307 5.286 11.457 1.00 0.00 C ATOM 243 C LYS A 16 41.015 6.739 11.953 1.00 0.00 C ATOM 244 O LYS A 16 40.804 7.645 11.153 1.00 0.00 O ATOM 245 CB LYS A 16 41.055 5.158 9.941 1.00 0.00 C ATOM 246 CG LYS A 16 42.342 4.717 9.229 1.00 0.00 C ATOM 247 CD LYS A 16 43.285 5.918 9.064 1.00 0.00 C ATOM 248 CE LYS A 16 42.660 6.957 8.125 1.00 0.00 C ATOM 249 NZ LYS A 16 42.382 8.212 8.886 1.00 0.00 N ATOM 0 H LYS A 16 40.960 3.332 12.233 1.00 0.00 H new ATOM 0 HA LYS A 16 42.353 5.124 11.718 1.00 0.00 H new ATOM 0 HB2 LYS A 16 40.261 4.434 9.756 1.00 0.00 H new ATOM 0 HB3 LYS A 16 40.716 6.113 9.539 1.00 0.00 H new ATOM 0 HG2 LYS A 16 42.835 3.932 9.803 1.00 0.00 H new ATOM 0 HG3 LYS A 16 42.102 4.295 8.253 1.00 0.00 H new ATOM 0 HD2 LYS A 16 43.485 6.369 10.036 1.00 0.00 H new ATOM 0 HD3 LYS A 16 44.243 5.585 8.664 1.00 0.00 H new ATOM 0 HE2 LYS A 16 43.334 7.165 7.294 1.00 0.00 H new ATOM 0 HE3 LYS A 16 41.737 6.567 7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 42.086 8.960 8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 41.623 8.039 9.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 43.243 8.513 9.386 1.00 0.00 H new ATOM 263 N SER A 17 41.028 6.973 13.258 1.00 0.00 N ATOM 264 CA SER A 17 40.770 8.366 13.795 1.00 0.00 C ATOM 265 C SER A 17 41.936 9.310 13.420 1.00 0.00 C ATOM 266 O SER A 17 41.711 10.415 12.956 1.00 0.00 O ATOM 267 CB SER A 17 40.596 8.328 15.322 1.00 0.00 C ATOM 268 OG SER A 17 41.775 7.812 15.939 1.00 0.00 O ATOM 0 H SER A 17 41.205 6.264 13.970 1.00 0.00 H new ATOM 0 HA SER A 17 39.851 8.744 13.346 1.00 0.00 H new ATOM 0 HB2 SER A 17 40.389 9.330 15.697 1.00 0.00 H new ATOM 0 HB3 SER A 17 39.739 7.707 15.582 1.00 0.00 H new ATOM 0 HG SER A 17 41.642 6.867 16.160 1.00 0.00 H new ATOM 274 N SER A 18 43.172 8.871 13.600 1.00 0.00 N ATOM 275 CA SER A 18 44.367 9.721 13.240 1.00 0.00 C ATOM 276 C SER A 18 44.646 9.627 11.718 1.00 0.00 C ATOM 277 O SER A 18 43.922 8.962 10.992 1.00 0.00 O ATOM 278 CB SER A 18 45.589 9.223 14.023 1.00 0.00 C ATOM 279 OG SER A 18 46.610 10.217 13.988 1.00 0.00 O ATOM 0 H SER A 18 43.403 7.955 13.983 1.00 0.00 H new ATOM 0 HA SER A 18 44.164 10.761 13.496 1.00 0.00 H new ATOM 0 HB2 SER A 18 45.311 9.008 15.055 1.00 0.00 H new ATOM 0 HB3 SER A 18 45.957 8.292 13.591 1.00 0.00 H new ATOM 0 HG SER A 18 47.391 9.902 14.489 1.00 0.00 H new ATOM 285 N GLY A 19 45.698 10.285 11.233 1.00 0.00 N ATOM 286 CA GLY A 19 46.054 10.242 9.759 1.00 0.00 C ATOM 287 C GLY A 19 46.175 8.781 9.296 1.00 0.00 C ATOM 288 O GLY A 19 45.413 8.332 8.456 1.00 0.00 O ATOM 0 H GLY A 19 46.327 10.852 11.802 1.00 0.00 H new ATOM 0 HA2 GLY A 19 45.290 10.756 9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 19 46.994 10.767 9.587 1.00 0.00 H new ATOM 292 N GLY A 20 47.093 8.035 9.881 1.00 0.00 N ATOM 293 CA GLY A 20 47.247 6.578 9.537 1.00 0.00 C ATOM 294 C GLY A 20 46.528 5.753 10.617 1.00 0.00 C ATOM 295 O GLY A 20 45.498 6.167 11.126 1.00 0.00 O ATOM 0 H GLY A 20 47.746 8.377 10.586 1.00 0.00 H new ATOM 0 HA2 GLY A 20 46.822 6.372 8.555 1.00 0.00 H new ATOM 0 HA3 GLY A 20 48.302 6.307 9.491 1.00 0.00 H new ATOM 299 N VAL A 21 47.064 4.611 10.991 1.00 0.00 N ATOM 300 CA VAL A 21 46.407 3.783 12.070 1.00 0.00 C ATOM 301 C VAL A 21 46.861 4.303 13.459 1.00 0.00 C ATOM 302 O VAL A 21 48.040 4.236 13.777 1.00 0.00 O ATOM 303 CB VAL A 21 46.736 2.274 11.933 1.00 0.00 C ATOM 304 CG1 VAL A 21 45.848 1.648 10.855 1.00 0.00 C ATOM 305 CG2 VAL A 21 48.202 2.047 11.569 1.00 0.00 C ATOM 0 H VAL A 21 47.920 4.216 10.602 1.00 0.00 H new ATOM 0 HA VAL A 21 45.327 3.886 11.963 1.00 0.00 H new ATOM 0 HB VAL A 21 46.547 1.804 12.898 1.00 0.00 H new ATOM 0 HG11 VAL A 21 46.082 0.588 10.761 1.00 0.00 H new ATOM 0 HG12 VAL A 21 44.801 1.765 11.133 1.00 0.00 H new ATOM 0 HG13 VAL A 21 46.028 2.145 9.902 1.00 0.00 H new ATOM 0 HG21 VAL A 21 48.394 0.978 11.482 1.00 0.00 H new ATOM 0 HG22 VAL A 21 48.420 2.533 10.618 1.00 0.00 H new ATOM 0 HG23 VAL A 21 48.839 2.468 12.347 1.00 0.00 H new ATOM 315 N PRO A 22 45.917 4.812 14.256 1.00 0.00 N ATOM 316 CA PRO A 22 46.220 5.345 15.619 1.00 0.00 C ATOM 317 C PRO A 22 46.646 4.230 16.591 1.00 0.00 C ATOM 318 O PRO A 22 47.467 4.441 17.469 1.00 0.00 O ATOM 319 CB PRO A 22 44.911 6.017 16.047 1.00 0.00 C ATOM 320 CG PRO A 22 43.800 5.380 15.186 1.00 0.00 C ATOM 321 CD PRO A 22 44.475 4.889 13.899 1.00 0.00 C ATOM 0 HA PRO A 22 47.061 6.038 15.620 1.00 0.00 H new ATOM 0 HB2 PRO A 22 44.721 5.858 17.108 1.00 0.00 H new ATOM 0 HB3 PRO A 22 44.957 7.095 15.889 1.00 0.00 H new ATOM 0 HG2 PRO A 22 43.325 4.554 15.715 1.00 0.00 H new ATOM 0 HG3 PRO A 22 43.019 6.106 14.962 1.00 0.00 H new ATOM 0 HD2 PRO A 22 44.088 3.918 13.591 1.00 0.00 H new ATOM 0 HD3 PRO A 22 44.305 5.578 13.071 1.00 0.00 H new ATOM 329 N GLY A 23 46.120 3.055 16.401 1.00 0.00 N ATOM 330 CA GLY A 23 46.480 1.868 17.247 1.00 0.00 C ATOM 331 C GLY A 23 47.473 0.974 16.481 1.00 0.00 C ATOM 332 O GLY A 23 47.364 -0.237 16.509 1.00 0.00 O ATOM 0 H GLY A 23 45.434 2.855 15.674 1.00 0.00 H new ATOM 0 HA2 GLY A 23 46.922 2.198 18.187 1.00 0.00 H new ATOM 0 HA3 GLY A 23 45.583 1.302 17.498 1.00 0.00 H new ATOM 461 N PRO A 33 52.003 -2.762 5.448 1.00 0.00 N ATOM 462 CA PRO A 33 53.285 -2.117 5.157 1.00 0.00 C ATOM 463 C PRO A 33 53.115 -0.843 4.292 1.00 0.00 C ATOM 464 O PRO A 33 52.165 -0.717 3.534 1.00 0.00 O ATOM 465 CB PRO A 33 54.071 -3.193 4.417 1.00 0.00 C ATOM 466 CG PRO A 33 53.052 -4.164 3.843 1.00 0.00 C ATOM 467 CD PRO A 33 51.761 -3.938 4.613 1.00 0.00 C ATOM 0 HA PRO A 33 53.787 -1.771 6.060 1.00 0.00 H new ATOM 0 HB2 PRO A 33 54.676 -2.753 3.624 1.00 0.00 H new ATOM 0 HB3 PRO A 33 54.756 -3.706 5.093 1.00 0.00 H new ATOM 0 HG2 PRO A 33 52.905 -3.987 2.778 1.00 0.00 H new ATOM 0 HG3 PRO A 33 53.393 -5.194 3.951 1.00 0.00 H new ATOM 0 HD2 PRO A 33 50.924 -3.772 3.935 1.00 0.00 H new ATOM 0 HD3 PRO A 33 51.510 -4.807 5.222 1.00 0.00 H new ATOM 475 N ASN A 34 54.045 0.102 4.413 1.00 0.00 N ATOM 476 CA ASN A 34 54.000 1.399 3.632 1.00 0.00 C ATOM 477 C ASN A 34 52.668 2.181 3.866 1.00 0.00 C ATOM 478 O ASN A 34 52.265 2.994 3.050 1.00 0.00 O ATOM 479 CB ASN A 34 54.194 1.087 2.141 1.00 0.00 C ATOM 480 CG ASN A 34 54.952 2.209 1.452 1.00 0.00 C ATOM 481 OD1 ASN A 34 56.000 2.631 1.902 1.00 0.00 O ATOM 482 ND2 ASN A 34 54.486 2.689 0.357 1.00 0.00 N ATOM 0 H ASN A 34 54.849 0.022 5.035 1.00 0.00 H new ATOM 0 HA ASN A 34 54.804 2.044 3.985 1.00 0.00 H new ATOM 0 HB2 ASN A 34 54.740 0.150 2.028 1.00 0.00 H new ATOM 0 HB3 ASN A 34 53.224 0.950 1.664 1.00 0.00 H new ATOM 0 HD21 ASN A 34 54.995 3.424 -0.135 1.00 0.00 H new ATOM 0 HD22 ASN A 34 53.607 2.336 -0.021 1.00 0.00 H new ATOM 489 N TYR A 35 52.006 1.933 4.980 1.00 0.00 N ATOM 490 CA TYR A 35 50.724 2.608 5.332 1.00 0.00 C ATOM 491 C TYR A 35 50.954 4.063 5.791 1.00 0.00 C ATOM 492 O TYR A 35 50.220 4.969 5.439 1.00 0.00 O ATOM 493 CB TYR A 35 50.069 1.775 6.465 1.00 0.00 C ATOM 494 CG TYR A 35 50.705 2.001 7.757 1.00 0.00 C ATOM 495 CD1 TYR A 35 51.854 1.321 8.062 1.00 0.00 C ATOM 496 CD2 TYR A 35 50.136 2.885 8.636 1.00 0.00 C ATOM 497 CE1 TYR A 35 52.452 1.501 9.253 1.00 0.00 C ATOM 498 CE2 TYR A 35 50.722 3.094 9.843 1.00 0.00 C ATOM 499 CZ TYR A 35 51.897 2.397 10.183 1.00 0.00 C ATOM 500 OH TYR A 35 52.483 2.582 11.411 1.00 0.00 O ATOM 0 H TYR A 35 52.323 1.262 5.680 1.00 0.00 H new ATOM 0 HA TYR A 35 50.076 2.660 4.457 1.00 0.00 H new ATOM 0 HB2 TYR A 35 49.011 2.029 6.534 1.00 0.00 H new ATOM 0 HB3 TYR A 35 50.127 0.716 6.214 1.00 0.00 H new ATOM 0 HD1 TYR A 35 52.281 0.638 7.343 1.00 0.00 H new ATOM 0 HD2 TYR A 35 49.230 3.410 8.371 1.00 0.00 H new ATOM 0 HE1 TYR A 35 53.355 0.959 9.494 1.00 0.00 H new ATOM 0 HE2 TYR A 35 50.287 3.794 10.541 1.00 0.00 H new ATOM 0 HH TYR A 35 53.294 3.123 11.308 1.00 0.00 H new ATOM 510 N HIS A 36 51.955 4.246 6.602 1.00 0.00 N ATOM 511 CA HIS A 36 52.290 5.585 7.161 1.00 0.00 C ATOM 512 C HIS A 36 53.289 6.309 6.267 1.00 0.00 C ATOM 513 O HIS A 36 53.887 5.745 5.358 1.00 0.00 O ATOM 514 CB HIS A 36 52.792 5.512 8.636 1.00 0.00 C ATOM 515 CG HIS A 36 53.897 4.517 8.843 1.00 0.00 C ATOM 516 ND1 HIS A 36 54.371 4.192 10.101 1.00 0.00 N ATOM 517 CD2 HIS A 36 54.583 3.742 7.977 1.00 0.00 C ATOM 518 CE1 HIS A 36 55.307 3.241 9.943 1.00 0.00 C ATOM 519 NE2 HIS A 36 55.474 2.930 8.661 1.00 0.00 N ATOM 0 H HIS A 36 52.576 3.498 6.911 1.00 0.00 H new ATOM 0 HA HIS A 36 51.366 6.163 7.181 1.00 0.00 H new ATOM 0 HB2 HIS A 36 53.140 6.499 8.943 1.00 0.00 H new ATOM 0 HB3 HIS A 36 51.955 5.254 9.284 1.00 0.00 H new ATOM 0 HD1 HIS A 36 54.066 4.599 10.985 1.00 0.00 H new ATOM 0 HD2 HIS A 36 54.456 3.753 6.905 1.00 0.00 H new ATOM 0 HE1 HIS A 36 55.855 2.786 10.755 1.00 0.00 H new ATOM 527 N CYS A 37 53.468 7.565 6.550 1.00 0.00 N ATOM 528 CA CYS A 37 54.418 8.414 5.748 1.00 0.00 C ATOM 529 C CYS A 37 55.880 8.209 6.184 1.00 0.00 C ATOM 530 O CYS A 37 56.777 8.812 5.629 1.00 0.00 O ATOM 531 CB CYS A 37 54.028 9.894 5.851 1.00 0.00 C ATOM 532 SG CYS A 37 54.366 10.699 4.263 1.00 0.00 S ATOM 0 H CYS A 37 52.996 8.055 7.310 1.00 0.00 H new ATOM 0 HA CYS A 37 54.342 8.099 4.707 1.00 0.00 H new ATOM 0 HB2 CYS A 37 52.972 9.989 6.105 1.00 0.00 H new ATOM 0 HB3 CYS A 37 54.593 10.379 6.648 1.00 0.00 H new ATOM 0 HG CYS A 37 55.231 9.995 3.595 1.00 0.00 H new ATOM 538 N GLN A 38 56.127 7.323 7.121 1.00 0.00 N ATOM 539 CA GLN A 38 57.514 7.014 7.551 1.00 0.00 C ATOM 540 C GLN A 38 58.039 5.958 6.570 1.00 0.00 C ATOM 541 O GLN A 38 59.088 6.111 5.989 1.00 0.00 O ATOM 542 CB GLN A 38 57.462 6.519 9.023 1.00 0.00 C ATOM 543 CG GLN A 38 58.127 5.135 9.201 1.00 0.00 C ATOM 544 CD GLN A 38 58.763 5.023 10.585 1.00 0.00 C ATOM 545 OE1 GLN A 38 59.934 5.272 10.744 1.00 0.00 O ATOM 546 NE2 GLN A 38 58.045 4.657 11.598 1.00 0.00 N ATOM 0 H GLN A 38 55.405 6.794 7.611 1.00 0.00 H new ATOM 0 HA GLN A 38 58.186 7.872 7.531 1.00 0.00 H new ATOM 0 HB2 GLN A 38 57.961 7.244 9.666 1.00 0.00 H new ATOM 0 HB3 GLN A 38 56.423 6.465 9.349 1.00 0.00 H new ATOM 0 HG2 GLN A 38 57.384 4.348 9.071 1.00 0.00 H new ATOM 0 HG3 GLN A 38 58.886 4.988 8.432 1.00 0.00 H new ATOM 0 HE21 GLN A 38 57.055 4.445 11.472 1.00 0.00 H new ATOM 0 HE22 GLN A 38 58.469 4.581 12.523 1.00 0.00 H new ATOM 555 N LEU A 39 57.270 4.922 6.337 1.00 0.00 N ATOM 556 CA LEU A 39 57.676 3.896 5.345 1.00 0.00 C ATOM 557 C LEU A 39 57.611 4.552 3.953 1.00 0.00 C ATOM 558 O LEU A 39 58.468 4.305 3.125 1.00 0.00 O ATOM 559 CB LEU A 39 56.766 2.650 5.489 1.00 0.00 C ATOM 560 CG LEU A 39 57.548 1.497 6.157 1.00 0.00 C ATOM 561 CD1 LEU A 39 58.776 1.145 5.317 1.00 0.00 C ATOM 562 CD2 LEU A 39 58.009 1.907 7.567 1.00 0.00 C ATOM 0 H LEU A 39 56.376 4.748 6.797 1.00 0.00 H new ATOM 0 HA LEU A 39 58.695 3.543 5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 39 55.888 2.898 6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 39 56.407 2.337 4.509 1.00 0.00 H new ATOM 0 HG LEU A 39 56.889 0.632 6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 39 59.322 0.331 5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 39 58.459 0.834 4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 39 59.424 2.018 5.236 1.00 0.00 H new ATOM 0 HD21 LEU A 39 58.558 1.084 8.024 1.00 0.00 H new ATOM 0 HD22 LEU A 39 58.656 2.781 7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 39 57.139 2.147 8.179 1.00 0.00 H new ATOM 574 N CYS A 40 56.671 5.474 3.737 1.00 0.00 N ATOM 575 CA CYS A 40 56.639 6.240 2.450 1.00 0.00 C ATOM 576 C CYS A 40 57.861 7.186 2.430 1.00 0.00 C ATOM 577 O CYS A 40 58.414 7.437 1.371 1.00 0.00 O ATOM 578 CB CYS A 40 55.290 7.001 2.309 1.00 0.00 C ATOM 579 SG CYS A 40 55.477 8.793 2.579 1.00 0.00 S ATOM 0 H CYS A 40 55.936 5.717 4.401 1.00 0.00 H new ATOM 0 HA CYS A 40 56.702 5.570 1.592 1.00 0.00 H new ATOM 0 HB2 CYS A 40 54.879 6.826 1.315 1.00 0.00 H new ATOM 0 HB3 CYS A 40 54.573 6.601 3.025 1.00 0.00 H new ATOM 0 HG CYS A 40 54.457 9.239 3.250 1.00 0.00 H new ATOM 585 N PHE A 41 58.343 7.643 3.599 1.00 0.00 N ATOM 586 CA PHE A 41 59.575 8.471 3.639 1.00 0.00 C ATOM 587 C PHE A 41 60.696 7.571 3.184 1.00 0.00 C ATOM 588 O PHE A 41 61.404 7.933 2.280 1.00 0.00 O ATOM 589 CB PHE A 41 59.763 9.020 5.087 1.00 0.00 C ATOM 590 CG PHE A 41 61.145 8.924 5.667 1.00 0.00 C ATOM 591 CD1 PHE A 41 61.989 10.004 5.535 1.00 0.00 C ATOM 592 CD2 PHE A 41 61.523 7.841 6.468 1.00 0.00 C ATOM 593 CE1 PHE A 41 63.210 10.017 6.169 1.00 0.00 C ATOM 594 CE2 PHE A 41 62.729 7.866 7.132 1.00 0.00 C ATOM 595 CZ PHE A 41 63.588 8.952 6.989 1.00 0.00 C ATOM 0 H PHE A 41 57.917 7.463 4.508 1.00 0.00 H new ATOM 0 HA PHE A 41 59.538 9.344 2.987 1.00 0.00 H new ATOM 0 HB2 PHE A 41 59.461 10.067 5.096 1.00 0.00 H new ATOM 0 HB3 PHE A 41 59.079 8.485 5.746 1.00 0.00 H new ATOM 0 HD1 PHE A 41 61.690 10.847 4.929 1.00 0.00 H new ATOM 0 HD2 PHE A 41 60.870 6.987 6.565 1.00 0.00 H new ATOM 0 HE1 PHE A 41 63.879 10.854 6.032 1.00 0.00 H new ATOM 0 HE2 PHE A 41 63.010 7.039 7.767 1.00 0.00 H new ATOM 0 HZ PHE A 41 64.536 8.971 7.506 1.00 0.00 H new ATOM 605 N LEU A 42 60.815 6.369 3.737 1.00 0.00 N ATOM 606 CA LEU A 42 61.880 5.439 3.252 1.00 0.00 C ATOM 607 C LEU A 42 61.653 5.138 1.756 1.00 0.00 C ATOM 608 O LEU A 42 62.599 4.875 1.046 1.00 0.00 O ATOM 609 CB LEU A 42 61.854 4.141 4.076 1.00 0.00 C ATOM 610 CG LEU A 42 63.046 4.078 5.029 1.00 0.00 C ATOM 611 CD1 LEU A 42 62.886 5.152 6.091 1.00 0.00 C ATOM 612 CD2 LEU A 42 63.093 2.704 5.697 1.00 0.00 C ATOM 0 H LEU A 42 60.227 6.008 4.488 1.00 0.00 H new ATOM 0 HA LEU A 42 62.858 5.904 3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 42 60.925 4.084 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 42 61.872 3.280 3.407 1.00 0.00 H new ATOM 0 HG LEU A 42 63.971 4.241 4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 42 63.733 5.115 6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 42 62.847 6.132 5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 42 61.963 4.981 6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 42 63.944 2.659 6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 42 62.172 2.540 6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 42 63.197 1.932 4.934 1.00 0.00 H new ATOM 624 N ARG A 43 60.416 5.222 1.259 1.00 0.00 N ATOM 625 CA ARG A 43 60.178 5.010 -0.197 1.00 0.00 C ATOM 626 C ARG A 43 60.747 6.216 -0.991 1.00 0.00 C ATOM 627 O ARG A 43 61.122 6.054 -2.140 1.00 0.00 O ATOM 628 CB ARG A 43 58.669 4.870 -0.468 1.00 0.00 C ATOM 629 CG ARG A 43 58.431 3.824 -1.570 1.00 0.00 C ATOM 630 CD ARG A 43 57.713 2.602 -0.982 1.00 0.00 C ATOM 631 NE ARG A 43 58.720 1.596 -0.497 1.00 0.00 N ATOM 632 CZ ARG A 43 59.439 1.830 0.565 1.00 0.00 C ATOM 633 NH1 ARG A 43 58.864 1.968 1.718 1.00 0.00 N ATOM 634 NH2 ARG A 43 60.729 1.930 0.458 1.00 0.00 N ATOM 0 H ARG A 43 59.582 5.427 1.809 1.00 0.00 H new ATOM 0 HA ARG A 43 60.679 4.096 -0.516 1.00 0.00 H new ATOM 0 HB2 ARG A 43 58.153 4.573 0.445 1.00 0.00 H new ATOM 0 HB3 ARG A 43 58.254 5.831 -0.771 1.00 0.00 H new ATOM 0 HG2 ARG A 43 57.833 4.257 -2.372 1.00 0.00 H new ATOM 0 HG3 ARG A 43 59.382 3.522 -2.009 1.00 0.00 H new ATOM 0 HD2 ARG A 43 57.069 2.910 -0.158 1.00 0.00 H new ATOM 0 HD3 ARG A 43 57.070 2.150 -1.737 1.00 0.00 H new ATOM 0 HE ARG A 43 58.842 0.720 -1.005 1.00 0.00 H new ATOM 0 HH11 ARG A 43 57.850 1.894 1.794 1.00 0.00 H new ATOM 0 HH12 ARG A 43 59.426 2.151 2.549 1.00 0.00 H new ATOM 0 HH21 ARG A 43 61.175 1.826 -0.453 1.00 0.00 H new ATOM 0 HH22 ARG A 43 61.297 2.113 1.285 1.00 0.00 H new ATOM 648 N SER A 44 60.808 7.425 -0.405 1.00 0.00 N ATOM 649 CA SER A 44 61.341 8.602 -1.179 1.00 0.00 C ATOM 650 C SER A 44 62.170 9.593 -0.299 1.00 0.00 C ATOM 651 O SER A 44 62.009 10.787 -0.452 1.00 0.00 O ATOM 652 CB SER A 44 60.141 9.332 -1.818 1.00 0.00 C ATOM 653 OG SER A 44 59.241 9.778 -0.799 1.00 0.00 O ATOM 0 H SER A 44 60.516 7.627 0.551 1.00 0.00 H new ATOM 0 HA SER A 44 62.029 8.229 -1.938 1.00 0.00 H new ATOM 0 HB2 SER A 44 60.491 10.182 -2.403 1.00 0.00 H new ATOM 0 HB3 SER A 44 59.623 8.664 -2.506 1.00 0.00 H new ATOM 0 HG SER A 44 58.483 10.242 -1.212 1.00 0.00 H new ATOM 659 N LEU A 45 63.067 9.121 0.597 1.00 0.00 N ATOM 660 CA LEU A 45 63.947 10.055 1.447 1.00 0.00 C ATOM 661 C LEU A 45 64.833 10.928 0.498 1.00 0.00 C ATOM 662 O LEU A 45 66.017 10.653 0.311 1.00 0.00 O ATOM 663 CB LEU A 45 64.884 9.154 2.258 1.00 0.00 C ATOM 664 CG LEU A 45 64.490 9.043 3.694 1.00 0.00 C ATOM 665 CD1 LEU A 45 63.650 7.810 3.840 1.00 0.00 C ATOM 666 CD2 LEU A 45 65.729 8.864 4.551 1.00 0.00 C ATOM 0 H LEU A 45 63.223 8.128 0.771 1.00 0.00 H new ATOM 0 HA LEU A 45 63.336 10.697 2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 45 64.897 8.159 1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.899 9.545 2.195 1.00 0.00 H new ATOM 0 HG LEU A 45 63.952 9.939 4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 45 63.345 7.699 4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 45 62.765 7.896 3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 45 64.229 6.938 3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 45 65.438 8.783 5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 45 66.253 7.957 4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 45 66.388 9.723 4.422 1.00 0.00 H new ATOM 678 N GLY A 46 64.241 11.889 -0.205 1.00 0.00 N ATOM 679 CA GLY A 46 64.993 12.675 -1.257 1.00 0.00 C ATOM 680 C GLY A 46 65.552 11.686 -2.334 1.00 0.00 C ATOM 681 O GLY A 46 66.413 12.045 -3.109 1.00 0.00 O ATOM 0 H GLY A 46 63.264 12.161 -0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 46 64.332 13.405 -1.724 1.00 0.00 H new ATOM 0 HA3 GLY A 46 65.810 13.232 -0.798 1.00 0.00 H new ATOM 685 N ILE A 47 65.073 10.425 -2.333 1.00 0.00 N ATOM 686 CA ILE A 47 65.508 9.295 -3.236 1.00 0.00 C ATOM 687 C ILE A 47 67.029 8.962 -3.201 1.00 0.00 C ATOM 688 O ILE A 47 67.374 7.823 -3.475 1.00 0.00 O ATOM 689 CB ILE A 47 64.911 9.343 -4.660 1.00 0.00 C ATOM 690 CG1 ILE A 47 64.065 10.617 -4.926 1.00 0.00 C ATOM 691 CG2 ILE A 47 64.013 8.096 -4.790 1.00 0.00 C ATOM 692 CD1 ILE A 47 62.750 10.588 -4.129 1.00 0.00 C ATOM 0 H ILE A 47 64.342 10.135 -1.683 1.00 0.00 H new ATOM 0 HA ILE A 47 65.043 8.425 -2.772 1.00 0.00 H new ATOM 0 HB ILE A 47 65.721 9.364 -5.389 1.00 0.00 H new ATOM 0 HG12 ILE A 47 64.640 11.502 -4.652 1.00 0.00 H new ATOM 0 HG13 ILE A 47 63.846 10.696 -5.991 1.00 0.00 H new ATOM 0 HG21 ILE A 47 63.561 8.075 -5.782 1.00 0.00 H new ATOM 0 HG22 ILE A 47 64.614 7.198 -4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 47 63.229 8.132 -4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 47 62.179 11.493 -4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 47 62.166 9.716 -4.422 1.00 0.00 H new ATOM 0 HD13 ILE A 47 62.972 10.535 -3.063 1.00 0.00 H new ATOM 704 N ASP A 48 67.924 9.848 -2.755 1.00 0.00 N ATOM 705 CA ASP A 48 69.366 9.456 -2.585 1.00 0.00 C ATOM 706 C ASP A 48 69.414 8.437 -1.426 1.00 0.00 C ATOM 707 O ASP A 48 70.274 7.579 -1.404 1.00 0.00 O ATOM 708 CB ASP A 48 70.235 10.686 -2.257 1.00 0.00 C ATOM 709 CG ASP A 48 71.701 10.261 -2.107 1.00 0.00 C ATOM 710 OD1 ASP A 48 72.374 10.133 -3.113 1.00 0.00 O ATOM 711 OD2 ASP A 48 72.124 10.041 -0.984 1.00 0.00 O ATOM 0 H ASP A 48 67.708 10.814 -2.507 1.00 0.00 H new ATOM 0 HA ASP A 48 69.760 9.025 -3.505 1.00 0.00 H new ATOM 0 HB2 ASP A 48 70.142 11.430 -3.048 1.00 0.00 H new ATOM 0 HB3 ASP A 48 69.886 11.154 -1.336 1.00 0.00 H new ATOM 716 N TYR A 49 68.443 8.458 -0.497 1.00 0.00 N ATOM 717 CA TYR A 49 68.432 7.421 0.547 1.00 0.00 C ATOM 718 C TYR A 49 68.027 6.069 -0.131 1.00 0.00 C ATOM 719 O TYR A 49 68.271 5.020 0.397 1.00 0.00 O ATOM 720 CB TYR A 49 67.464 7.759 1.697 1.00 0.00 C ATOM 721 CG TYR A 49 67.133 6.509 2.413 1.00 0.00 C ATOM 722 CD1 TYR A 49 68.113 5.854 3.111 1.00 0.00 C ATOM 723 CD2 TYR A 49 65.893 5.952 2.251 1.00 0.00 C ATOM 724 CE1 TYR A 49 67.852 4.639 3.663 1.00 0.00 C ATOM 725 CE2 TYR A 49 65.606 4.742 2.776 1.00 0.00 C ATOM 726 CZ TYR A 49 66.584 4.051 3.503 1.00 0.00 C ATOM 727 OH TYR A 49 66.310 2.815 4.047 1.00 0.00 O ATOM 0 H TYR A 49 67.691 9.145 -0.446 1.00 0.00 H new ATOM 0 HA TYR A 49 69.424 7.353 0.994 1.00 0.00 H new ATOM 0 HB2 TYR A 49 67.921 8.476 2.379 1.00 0.00 H new ATOM 0 HB3 TYR A 49 66.558 8.223 1.306 1.00 0.00 H new ATOM 0 HD1 TYR A 49 69.090 6.301 3.223 1.00 0.00 H new ATOM 0 HD2 TYR A 49 65.136 6.487 1.697 1.00 0.00 H new ATOM 0 HE1 TYR A 49 68.618 4.125 4.224 1.00 0.00 H new ATOM 0 HE2 TYR A 49 64.627 4.309 2.636 1.00 0.00 H new ATOM 0 HH TYR A 49 65.386 2.564 3.839 1.00 0.00 H new ATOM 737 N LEU A 50 67.423 6.052 -1.297 1.00 0.00 N ATOM 738 CA LEU A 50 67.106 4.713 -1.908 1.00 0.00 C ATOM 739 C LEU A 50 68.324 4.244 -2.688 1.00 0.00 C ATOM 740 O LEU A 50 68.598 3.058 -2.769 1.00 0.00 O ATOM 741 CB LEU A 50 65.732 4.704 -2.557 1.00 0.00 C ATOM 742 CG LEU A 50 64.725 4.705 -1.357 1.00 0.00 C ATOM 743 CD1 LEU A 50 65.035 3.535 -0.385 1.00 0.00 C ATOM 744 CD2 LEU A 50 64.949 5.964 -0.531 1.00 0.00 C ATOM 0 H LEU A 50 67.143 6.871 -1.837 1.00 0.00 H new ATOM 0 HA LEU A 50 66.958 3.922 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 50 65.589 5.577 -3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 50 65.597 3.824 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 50 63.718 4.631 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.326 3.552 0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 50 64.950 2.588 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 50 66.048 3.643 0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 50 64.254 5.977 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 50 65.972 5.975 -0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 50 64.782 6.843 -1.154 1.00 0.00 H new ATOM 756 N ASP A 51 69.185 5.200 -2.988 1.00 0.00 N ATOM 757 CA ASP A 51 70.534 4.910 -3.442 1.00 0.00 C ATOM 758 C ASP A 51 71.185 4.307 -2.136 1.00 0.00 C ATOM 759 O ASP A 51 71.852 3.310 -2.198 1.00 0.00 O ATOM 760 CB ASP A 51 71.096 6.264 -3.859 1.00 0.00 C ATOM 761 CG ASP A 51 72.032 6.118 -5.055 1.00 0.00 C ATOM 762 OD1 ASP A 51 73.075 5.494 -4.905 1.00 0.00 O ATOM 763 OD2 ASP A 51 71.701 6.636 -6.103 1.00 0.00 O ATOM 0 H ASP A 51 68.971 6.195 -2.924 1.00 0.00 H new ATOM 0 HA ASP A 51 70.677 4.227 -4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 51 70.279 6.940 -4.112 1.00 0.00 H new ATOM 0 HB3 ASP A 51 71.634 6.712 -3.024 1.00 0.00 H new ATOM 768 N ALA A 52 70.830 4.872 -0.933 1.00 0.00 N ATOM 769 CA ALA A 52 71.233 4.308 0.433 1.00 0.00 C ATOM 770 C ALA A 52 70.720 2.879 0.509 1.00 0.00 C ATOM 771 O ALA A 52 71.490 1.983 0.813 1.00 0.00 O ATOM 772 CB ALA A 52 70.551 5.080 1.612 1.00 0.00 C ATOM 0 H ALA A 52 70.265 5.719 -0.868 1.00 0.00 H new ATOM 0 HA ALA A 52 72.316 4.390 0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 52 70.865 4.646 2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 52 70.844 6.129 1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 52 69.468 5.003 1.519 1.00 0.00 H new ATOM 778 N SER A 53 69.416 2.655 0.231 1.00 0.00 N ATOM 779 CA SER A 53 68.861 1.249 0.271 1.00 0.00 C ATOM 780 C SER A 53 69.780 0.252 -0.513 1.00 0.00 C ATOM 781 O SER A 53 69.796 -0.930 -0.214 1.00 0.00 O ATOM 782 CB SER A 53 67.428 1.270 -0.296 1.00 0.00 C ATOM 783 OG SER A 53 67.392 0.808 -1.651 1.00 0.00 O ATOM 0 H SER A 53 68.742 3.380 -0.014 1.00 0.00 H new ATOM 0 HA SER A 53 68.833 0.896 1.302 1.00 0.00 H new ATOM 0 HB2 SER A 53 66.783 0.644 0.320 1.00 0.00 H new ATOM 0 HB3 SER A 53 67.031 2.284 -0.246 1.00 0.00 H new ATOM 0 HG SER A 53 67.787 1.486 -2.238 1.00 0.00 H new ATOM 789 N LEU A 54 70.557 0.732 -1.488 1.00 0.00 N ATOM 790 CA LEU A 54 71.486 -0.164 -2.262 1.00 0.00 C ATOM 791 C LEU A 54 72.908 0.470 -2.440 1.00 0.00 C ATOM 792 O LEU A 54 73.564 0.211 -3.443 1.00 0.00 O ATOM 793 CB LEU A 54 70.855 -0.475 -3.642 1.00 0.00 C ATOM 794 CG LEU A 54 70.461 0.818 -4.394 1.00 0.00 C ATOM 795 CD1 LEU A 54 71.540 1.192 -5.415 1.00 0.00 C ATOM 796 CD2 LEU A 54 69.137 0.591 -5.127 1.00 0.00 C ATOM 0 H LEU A 54 70.578 1.711 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 54 71.621 -1.086 -1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 54 71.561 -1.046 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 54 69.973 -1.101 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 54 70.358 1.628 -3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 54 71.248 2.104 -5.936 1.00 0.00 H new ATOM 0 HD12 LEU A 54 72.487 1.356 -4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 54 71.654 0.383 -6.136 1.00 0.00 H new ATOM 0 HD21 LEU A 54 68.855 1.500 -5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 54 69.251 -0.226 -5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 54 68.361 0.337 -4.405 1.00 0.00 H new ATOM 808 N ARG A 55 73.403 1.296 -1.495 1.00 0.00 N ATOM 809 CA ARG A 55 74.784 1.930 -1.660 1.00 0.00 C ATOM 810 C ARG A 55 75.880 0.886 -1.972 1.00 0.00 C ATOM 811 O ARG A 55 76.844 1.219 -2.637 1.00 0.00 O ATOM 812 CB ARG A 55 75.205 2.703 -0.400 1.00 0.00 C ATOM 813 CG ARG A 55 74.412 3.999 -0.271 1.00 0.00 C ATOM 814 CD ARG A 55 75.155 5.147 -0.959 1.00 0.00 C ATOM 815 NE ARG A 55 74.294 5.665 -2.063 1.00 0.00 N ATOM 816 CZ ARG A 55 73.804 6.878 -2.024 1.00 0.00 C ATOM 817 NH1 ARG A 55 73.112 7.267 -0.998 1.00 0.00 N ATOM 818 NH2 ARG A 55 73.979 7.677 -3.029 1.00 0.00 N ATOM 0 H ARG A 55 72.914 1.549 -0.636 1.00 0.00 H new ATOM 0 HA ARG A 55 74.691 2.613 -2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 55 75.045 2.084 0.483 1.00 0.00 H new ATOM 0 HB3 ARG A 55 76.271 2.926 -0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 55 73.425 3.876 -0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 55 74.258 4.236 0.782 1.00 0.00 H new ATOM 0 HD2 ARG A 55 75.375 5.940 -0.244 1.00 0.00 H new ATOM 0 HD3 ARG A 55 76.110 4.800 -1.353 1.00 0.00 H new ATOM 0 HE ARG A 55 74.084 5.064 -2.860 1.00 0.00 H new ATOM 0 HH11 ARG A 55 72.949 6.627 -0.220 1.00 0.00 H new ATOM 0 HH12 ARG A 55 72.731 8.213 -0.969 1.00 0.00 H new ATOM 0 HH21 ARG A 55 74.498 7.360 -3.848 1.00 0.00 H new ATOM 0 HH22 ARG A 55 73.598 8.623 -3.001 1.00 0.00 H new ATOM 832 N LYS A 56 75.737 -0.364 -1.529 1.00 0.00 N ATOM 833 CA LYS A 56 76.771 -1.425 -1.851 1.00 0.00 C ATOM 834 C LYS A 56 76.960 -1.495 -3.388 1.00 0.00 C ATOM 835 O LYS A 56 78.073 -1.595 -3.875 1.00 0.00 O ATOM 836 CB LYS A 56 76.304 -2.788 -1.311 1.00 0.00 C ATOM 837 CG LYS A 56 77.505 -3.738 -1.198 1.00 0.00 C ATOM 838 CD LYS A 56 77.243 -4.773 -0.096 1.00 0.00 C ATOM 839 CE LYS A 56 78.499 -5.624 0.126 1.00 0.00 C ATOM 840 NZ LYS A 56 78.502 -6.158 1.525 1.00 0.00 N ATOM 0 H LYS A 56 74.953 -0.688 -0.963 1.00 0.00 H new ATOM 0 HA LYS A 56 77.721 -1.171 -1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 56 75.834 -2.662 -0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 56 75.552 -3.215 -1.974 1.00 0.00 H new ATOM 0 HG2 LYS A 56 77.674 -4.241 -2.150 1.00 0.00 H new ATOM 0 HG3 LYS A 56 78.409 -3.172 -0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 56 76.965 -4.269 0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 56 76.405 -5.411 -0.376 1.00 0.00 H new ATOM 0 HE2 LYS A 56 78.524 -6.447 -0.588 1.00 0.00 H new ATOM 0 HE3 LYS A 56 79.392 -5.024 -0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 79.354 -6.735 1.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 78.498 -5.366 2.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 77.656 -6.744 1.675 1.00 0.00 H new ATOM 854 N LYS A 57 75.873 -1.374 -4.141 1.00 0.00 N ATOM 855 CA LYS A 57 75.954 -1.356 -5.643 1.00 0.00 C ATOM 856 C LYS A 57 76.534 0.007 -6.088 1.00 0.00 C ATOM 857 O LYS A 57 77.359 0.067 -6.984 1.00 0.00 O ATOM 858 CB LYS A 57 74.548 -1.527 -6.252 1.00 0.00 C ATOM 859 CG LYS A 57 73.961 -2.896 -5.880 1.00 0.00 C ATOM 860 CD LYS A 57 72.480 -2.944 -6.290 1.00 0.00 C ATOM 861 CE LYS A 57 71.646 -3.600 -5.183 1.00 0.00 C ATOM 862 NZ LYS A 57 70.195 -3.319 -5.420 1.00 0.00 N ATOM 0 H LYS A 57 74.928 -1.287 -3.768 1.00 0.00 H new ATOM 0 HA LYS A 57 76.590 -2.173 -5.983 1.00 0.00 H new ATOM 0 HB2 LYS A 57 73.892 -0.734 -5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 57 74.601 -1.431 -7.336 1.00 0.00 H new ATOM 0 HG2 LYS A 57 74.515 -3.690 -6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 57 74.059 -3.067 -4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 57 72.115 -1.935 -6.481 1.00 0.00 H new ATOM 0 HD3 LYS A 57 72.370 -3.504 -7.219 1.00 0.00 H new ATOM 0 HE2 LYS A 57 71.822 -4.676 -5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 57 71.948 -3.215 -4.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 69.632 -3.720 -4.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 70.043 -2.291 -5.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 69.900 -3.751 -6.319 1.00 0.00 H new ATOM 876 N ASN A 58 76.116 1.100 -5.443 1.00 0.00 N ATOM 877 CA ASN A 58 76.640 2.472 -5.794 1.00 0.00 C ATOM 878 C ASN A 58 78.155 2.594 -5.509 1.00 0.00 C ATOM 879 O ASN A 58 78.791 3.470 -6.074 1.00 0.00 O ATOM 880 CB ASN A 58 75.861 3.534 -4.986 1.00 0.00 C ATOM 881 CG ASN A 58 76.211 4.951 -5.436 1.00 0.00 C ATOM 882 OD1 ASN A 58 76.215 5.258 -6.604 1.00 0.00 O ATOM 883 ND2 ASN A 58 76.492 5.843 -4.549 1.00 0.00 N ATOM 0 H ASN A 58 75.431 1.090 -4.687 1.00 0.00 H new ATOM 0 HA ASN A 58 76.494 2.634 -6.862 1.00 0.00 H new ATOM 0 HB2 ASN A 58 74.790 3.368 -5.104 1.00 0.00 H new ATOM 0 HB3 ASN A 58 76.086 3.422 -3.925 1.00 0.00 H new ATOM 0 HD21 ASN A 58 76.714 6.796 -4.837 1.00 0.00 H new ATOM 0 HD22 ASN A 58 76.492 5.596 -3.559 1.00 0.00 H new ATOM 890 N LYS A 59 78.749 1.713 -4.699 1.00 0.00 N ATOM 891 CA LYS A 59 80.242 1.764 -4.461 1.00 0.00 C ATOM 892 C LYS A 59 80.952 1.779 -5.843 1.00 0.00 C ATOM 893 O LYS A 59 81.942 2.469 -6.029 1.00 0.00 O ATOM 894 CB LYS A 59 80.669 0.525 -3.632 1.00 0.00 C ATOM 895 CG LYS A 59 82.204 0.352 -3.612 1.00 0.00 C ATOM 896 CD LYS A 59 82.872 1.535 -2.889 1.00 0.00 C ATOM 897 CE LYS A 59 84.329 1.685 -3.356 1.00 0.00 C ATOM 898 NZ LYS A 59 84.370 2.241 -4.749 1.00 0.00 N ATOM 0 H LYS A 59 78.261 0.969 -4.200 1.00 0.00 H new ATOM 0 HA LYS A 59 80.519 2.659 -3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 59 80.301 0.626 -2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 59 80.207 -0.369 -4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 59 82.464 -0.581 -3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 59 82.581 0.282 -4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 59 82.321 2.453 -3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 59 82.842 1.376 -1.811 1.00 0.00 H new ATOM 0 HE2 LYS A 59 84.870 2.344 -2.677 1.00 0.00 H new ATOM 0 HE3 LYS A 59 84.829 0.717 -3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 85.077 3.003 -4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 84.627 1.486 -5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 83.434 2.620 -4.999 1.00 0.00 H new ATOM 912 N GLN A 60 80.407 1.052 -6.812 1.00 0.00 N ATOM 913 CA GLN A 60 80.974 1.033 -8.197 1.00 0.00 C ATOM 914 C GLN A 60 79.909 1.570 -9.208 1.00 0.00 C ATOM 915 O GLN A 60 79.899 1.174 -10.367 1.00 0.00 O ATOM 916 CB GLN A 60 81.372 -0.417 -8.563 1.00 0.00 C ATOM 917 CG GLN A 60 82.298 -1.029 -7.488 1.00 0.00 C ATOM 918 CD GLN A 60 83.698 -0.404 -7.557 1.00 0.00 C ATOM 919 OE1 GLN A 60 84.088 0.332 -6.676 1.00 0.00 O ATOM 920 NE2 GLN A 60 84.480 -0.668 -8.562 1.00 0.00 N ATOM 0 H GLN A 60 79.581 0.466 -6.688 1.00 0.00 H new ATOM 0 HA GLN A 60 81.856 1.671 -8.243 1.00 0.00 H new ATOM 0 HB2 GLN A 60 80.475 -1.028 -8.666 1.00 0.00 H new ATOM 0 HB3 GLN A 60 81.876 -0.426 -9.529 1.00 0.00 H new ATOM 0 HG2 GLN A 60 81.871 -0.867 -6.498 1.00 0.00 H new ATOM 0 HG3 GLN A 60 82.368 -2.107 -7.633 1.00 0.00 H new ATOM 0 HE21 GLN A 60 84.161 -1.286 -9.308 1.00 0.00 H new ATOM 0 HE22 GLN A 60 85.413 -0.257 -8.604 1.00 0.00 H new ATOM 929 N ARG A 61 79.020 2.484 -8.793 1.00 0.00 N ATOM 930 CA ARG A 61 77.978 3.036 -9.739 1.00 0.00 C ATOM 931 C ARG A 61 78.531 4.262 -10.527 1.00 0.00 C ATOM 932 O ARG A 61 77.850 5.264 -10.680 1.00 0.00 O ATOM 933 CB ARG A 61 76.707 3.432 -8.977 1.00 0.00 C ATOM 934 CG ARG A 61 75.738 2.231 -8.952 1.00 0.00 C ATOM 935 CD ARG A 61 74.438 2.603 -8.226 1.00 0.00 C ATOM 936 NE ARG A 61 73.746 3.697 -8.967 1.00 0.00 N ATOM 937 CZ ARG A 61 73.127 4.631 -8.321 1.00 0.00 C ATOM 938 NH1 ARG A 61 73.793 5.631 -7.851 1.00 0.00 N ATOM 939 NH2 ARG A 61 71.849 4.556 -8.144 1.00 0.00 N ATOM 0 H ARG A 61 78.981 2.861 -7.846 1.00 0.00 H new ATOM 0 HA ARG A 61 77.729 2.250 -10.452 1.00 0.00 H new ATOM 0 HB2 ARG A 61 76.957 3.734 -7.960 1.00 0.00 H new ATOM 0 HB3 ARG A 61 76.232 4.288 -9.457 1.00 0.00 H new ATOM 0 HG2 ARG A 61 75.515 1.915 -9.971 1.00 0.00 H new ATOM 0 HG3 ARG A 61 76.211 1.385 -8.453 1.00 0.00 H new ATOM 0 HD2 ARG A 61 73.788 1.731 -8.154 1.00 0.00 H new ATOM 0 HD3 ARG A 61 74.657 2.922 -7.207 1.00 0.00 H new ATOM 0 HE ARG A 61 73.761 3.709 -9.987 1.00 0.00 H new ATOM 0 HH11 ARG A 61 74.802 5.682 -7.990 1.00 0.00 H new ATOM 0 HH12 ARG A 61 73.310 6.371 -7.341 1.00 0.00 H new ATOM 0 HH21 ARG A 61 71.329 3.760 -8.514 1.00 0.00 H new ATOM 0 HH22 ARG A 61 71.361 5.292 -7.635 1.00 0.00 H new ATOM 953 N LEU A 62 79.752 4.187 -11.055 1.00 0.00 N ATOM 954 CA LEU A 62 80.317 5.342 -11.854 1.00 0.00 C ATOM 955 C LEU A 62 79.500 5.456 -13.154 1.00 0.00 C ATOM 956 O LEU A 62 78.840 6.451 -13.389 1.00 0.00 O ATOM 957 CB LEU A 62 81.809 5.100 -12.163 1.00 0.00 C ATOM 958 CG LEU A 62 82.499 6.440 -12.458 1.00 0.00 C ATOM 959 CD1 LEU A 62 83.179 6.957 -11.190 1.00 0.00 C ATOM 960 CD2 LEU A 62 83.555 6.248 -13.546 1.00 0.00 C ATOM 0 H LEU A 62 80.372 3.382 -10.966 1.00 0.00 H new ATOM 0 HA LEU A 62 80.248 6.270 -11.287 1.00 0.00 H new ATOM 0 HB2 LEU A 62 82.291 4.610 -11.317 1.00 0.00 H new ATOM 0 HB3 LEU A 62 81.910 4.432 -13.018 1.00 0.00 H new ATOM 0 HG LEU A 62 81.752 7.158 -12.795 1.00 0.00 H new ATOM 0 HD11 LEU A 62 83.668 7.908 -11.401 1.00 0.00 H new ATOM 0 HD12 LEU A 62 82.432 7.099 -10.409 1.00 0.00 H new ATOM 0 HD13 LEU A 62 83.922 6.233 -10.855 1.00 0.00 H new ATOM 0 HD21 LEU A 62 84.042 7.201 -13.752 1.00 0.00 H new ATOM 0 HD22 LEU A 62 84.298 5.526 -13.208 1.00 0.00 H new ATOM 0 HD23 LEU A 62 83.079 5.880 -14.455 1.00 0.00 H new ATOM 972 N LYS A 63 79.484 4.403 -13.951 1.00 0.00 N ATOM 973 CA LYS A 63 78.644 4.387 -15.196 1.00 0.00 C ATOM 974 C LYS A 63 77.214 3.879 -14.844 1.00 0.00 C ATOM 975 O LYS A 63 76.288 4.049 -15.622 1.00 0.00 O ATOM 976 CB LYS A 63 79.289 3.465 -16.247 1.00 0.00 C ATOM 977 CG LYS A 63 79.098 4.071 -17.645 1.00 0.00 C ATOM 978 CD LYS A 63 79.295 2.988 -18.719 1.00 0.00 C ATOM 979 CE LYS A 63 80.734 3.023 -19.256 1.00 0.00 C ATOM 980 NZ LYS A 63 80.725 3.422 -20.697 1.00 0.00 N ATOM 0 H LYS A 63 80.021 3.551 -13.788 1.00 0.00 H new ATOM 0 HA LYS A 63 78.578 5.395 -15.606 1.00 0.00 H new ATOM 0 HB2 LYS A 63 80.351 3.341 -16.035 1.00 0.00 H new ATOM 0 HB3 LYS A 63 78.837 2.474 -16.204 1.00 0.00 H new ATOM 0 HG2 LYS A 63 78.101 4.502 -17.730 1.00 0.00 H new ATOM 0 HG3 LYS A 63 79.810 4.882 -17.799 1.00 0.00 H new ATOM 0 HD2 LYS A 63 79.081 2.006 -18.298 1.00 0.00 H new ATOM 0 HD3 LYS A 63 78.591 3.145 -19.536 1.00 0.00 H new ATOM 0 HE2 LYS A 63 81.331 3.728 -18.677 1.00 0.00 H new ATOM 0 HE3 LYS A 63 81.198 2.043 -19.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 81.700 3.445 -21.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 80.170 2.734 -21.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 80.299 4.366 -20.793 1.00 0.00 H new ATOM 994 N ALA A 64 77.029 3.265 -13.671 1.00 0.00 N ATOM 995 CA ALA A 64 75.683 2.757 -13.254 1.00 0.00 C ATOM 996 C ALA A 64 74.952 3.766 -12.328 1.00 0.00 C ATOM 997 O ALA A 64 73.916 3.426 -11.777 1.00 0.00 O ATOM 998 CB ALA A 64 75.880 1.425 -12.514 1.00 0.00 C ATOM 0 H ALA A 64 77.771 3.101 -12.991 1.00 0.00 H new ATOM 0 HA ALA A 64 75.066 2.621 -14.142 1.00 0.00 H new ATOM 0 HB1 ALA A 64 74.911 1.036 -12.201 1.00 0.00 H new ATOM 0 HB2 ALA A 64 76.361 0.707 -13.178 1.00 0.00 H new ATOM 0 HB3 ALA A 64 76.507 1.585 -11.637 1.00 0.00 H new