USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 373 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot -130:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0334 X(o=-0.033,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0.00247 X(o=0.0025,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.9) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 20:sc=-0.00511 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 19:sc= 1.04 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 173:sc=7.62e-05 USER MOD Single : A 49 MET CE :methyl -178:sc= 0 (180deg=-0.00594) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N VAL A 3 30.624 35.694 26.127 1.00 0.00 N ATOM 30 CA VAL A 3 31.991 35.493 26.643 1.00 0.00 C ATOM 31 C VAL A 3 32.909 34.761 25.649 1.00 0.00 C ATOM 32 O VAL A 3 32.511 33.786 25.012 1.00 0.00 O ATOM 33 CB VAL A 3 32.032 34.789 28.021 1.00 0.00 C ATOM 34 CG1 VAL A 3 31.367 35.668 29.093 1.00 0.00 C ATOM 35 CG2 VAL A 3 31.409 33.381 28.030 1.00 0.00 C ATOM 0 HA VAL A 3 32.377 36.503 26.778 1.00 0.00 H new ATOM 0 HB VAL A 3 33.089 34.652 28.250 1.00 0.00 H new ATOM 0 HG11 VAL A 3 31.404 35.158 30.056 1.00 0.00 H new ATOM 0 HG12 VAL A 3 31.897 36.618 29.164 1.00 0.00 H new ATOM 0 HG13 VAL A 3 30.328 35.852 28.820 1.00 0.00 H new ATOM 0 HG21 VAL A 3 31.479 32.959 29.032 1.00 0.00 H new ATOM 0 HG22 VAL A 3 30.362 33.445 27.735 1.00 0.00 H new ATOM 0 HG23 VAL A 3 31.945 32.741 27.329 1.00 0.00 H new ATOM 45 N ASN A 4 34.166 35.212 25.576 1.00 0.00 N ATOM 46 CA ASN A 4 35.303 34.453 25.046 1.00 0.00 C ATOM 47 C ASN A 4 36.047 33.773 26.200 1.00 0.00 C ATOM 48 O ASN A 4 36.240 34.373 27.260 1.00 0.00 O ATOM 49 CB ASN A 4 36.305 35.358 24.304 1.00 0.00 C ATOM 50 CG ASN A 4 35.855 35.701 22.895 1.00 0.00 C ATOM 51 OD1 ASN A 4 36.332 35.123 21.927 1.00 0.00 O ATOM 52 ND2 ASN A 4 34.937 36.632 22.742 1.00 0.00 N ATOM 0 H ASN A 4 34.428 36.145 25.894 1.00 0.00 H new ATOM 0 HA ASN A 4 34.904 33.720 24.345 1.00 0.00 H new ATOM 0 HB2 ASN A 4 36.445 36.279 24.870 1.00 0.00 H new ATOM 0 HB3 ASN A 4 37.274 34.861 24.260 1.00 0.00 H new ATOM 0 HD21 ASN A 4 34.614 36.881 21.807 1.00 0.00 H new ATOM 0 HD22 ASN A 4 34.549 37.105 23.558 1.00 0.00 H new ATOM 59 N THR A 5 36.533 32.554 25.958 1.00 0.00 N ATOM 60 CA THR A 5 37.364 31.761 26.866 1.00 0.00 C ATOM 61 C THR A 5 38.527 31.185 26.086 1.00 0.00 C ATOM 62 O THR A 5 38.381 30.732 24.953 1.00 0.00 O ATOM 63 CB THR A 5 36.568 30.615 27.498 1.00 0.00 C ATOM 64 OG1 THR A 5 36.020 29.750 26.530 1.00 0.00 O ATOM 65 CG2 THR A 5 35.485 31.148 28.415 1.00 0.00 C ATOM 0 H THR A 5 36.348 32.069 25.080 1.00 0.00 H new ATOM 0 HA THR A 5 37.717 32.411 27.666 1.00 0.00 H new ATOM 0 HB THR A 5 37.270 30.031 28.093 1.00 0.00 H new ATOM 0 HG1 THR A 5 35.068 29.612 26.716 1.00 0.00 H new ATOM 0 HG21 THR A 5 34.935 30.314 28.851 1.00 0.00 H new ATOM 0 HG22 THR A 5 35.940 31.738 29.211 1.00 0.00 H new ATOM 0 HG23 THR A 5 34.801 31.775 27.844 1.00 0.00 H new ATOM 73 N GLY A 6 39.672 31.110 26.750 1.00 0.00 N ATOM 74 CA GLY A 6 40.714 30.154 26.407 1.00 0.00 C ATOM 75 C GLY A 6 40.424 28.737 26.918 1.00 0.00 C ATOM 76 O GLY A 6 41.266 27.867 26.761 1.00 0.00 O ATOM 0 H GLY A 6 39.904 31.710 27.541 1.00 0.00 H new ATOM 0 HA2 GLY A 6 40.831 30.126 25.324 1.00 0.00 H new ATOM 0 HA3 GLY A 6 41.663 30.496 26.821 1.00 0.00 H new ATOM 80 N LEU A 7 39.271 28.478 27.549 1.00 0.00 N ATOM 81 CA LEU A 7 38.927 27.146 28.059 1.00 0.00 C ATOM 82 C LEU A 7 38.847 26.125 26.902 1.00 0.00 C ATOM 83 O LEU A 7 38.584 26.540 25.763 1.00 0.00 O ATOM 84 CB LEU A 7 37.620 27.201 28.881 1.00 0.00 C ATOM 85 CG LEU A 7 37.801 27.751 30.312 1.00 0.00 C ATOM 86 CD1 LEU A 7 36.433 28.031 30.946 1.00 0.00 C ATOM 87 CD2 LEU A 7 38.565 26.768 31.215 1.00 0.00 C ATOM 0 H LEU A 7 38.554 29.183 27.719 1.00 0.00 H new ATOM 0 HA LEU A 7 39.717 26.809 28.731 1.00 0.00 H new ATOM 0 HB2 LEU A 7 36.897 27.822 28.353 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.197 26.198 28.939 1.00 0.00 H new ATOM 0 HG LEU A 7 38.381 28.670 30.229 1.00 0.00 H new ATOM 0 HD11 LEU A 7 36.572 28.419 31.955 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.897 28.766 30.346 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.856 27.107 30.988 1.00 0.00 H new ATOM 0 HD21 LEU A 7 38.669 27.196 32.212 1.00 0.00 H new ATOM 0 HD22 LEU A 7 38.015 25.829 31.279 1.00 0.00 H new ATOM 0 HD23 LEU A 7 39.553 26.581 30.795 1.00 0.00 H new ATOM 99 N PRO A 8 39.076 24.819 27.166 1.00 0.00 N ATOM 100 CA PRO A 8 39.093 23.793 26.123 1.00 0.00 C ATOM 101 C PRO A 8 37.653 23.373 25.757 1.00 0.00 C ATOM 102 O PRO A 8 36.730 24.171 25.897 1.00 0.00 O ATOM 103 CB PRO A 8 39.937 22.687 26.757 1.00 0.00 C ATOM 104 CG PRO A 8 39.449 22.693 28.195 1.00 0.00 C ATOM 105 CD PRO A 8 39.314 24.190 28.475 1.00 0.00 C ATOM 0 HA PRO A 8 39.514 24.108 25.168 1.00 0.00 H new ATOM 0 HB2 PRO A 8 39.772 21.723 26.276 1.00 0.00 H new ATOM 0 HB3 PRO A 8 41.004 22.899 26.689 1.00 0.00 H new ATOM 0 HG2 PRO A 8 38.500 22.169 28.306 1.00 0.00 H new ATOM 0 HG3 PRO A 8 40.159 22.214 28.869 1.00 0.00 H new ATOM 0 HD2 PRO A 8 38.490 24.388 29.160 1.00 0.00 H new ATOM 0 HD3 PRO A 8 40.217 24.584 28.941 1.00 0.00 H new ATOM 113 N ALA A 9 37.423 22.118 25.340 1.00 0.00 N ATOM 114 CA ALA A 9 36.098 21.579 24.983 1.00 0.00 C ATOM 115 C ALA A 9 35.057 21.527 26.133 1.00 0.00 C ATOM 116 O ALA A 9 33.955 21.013 25.938 1.00 0.00 O ATOM 117 CB ALA A 9 36.318 20.189 24.373 1.00 0.00 C ATOM 0 H ALA A 9 38.171 21.432 25.239 1.00 0.00 H new ATOM 0 HA ALA A 9 35.648 22.274 24.274 1.00 0.00 H new ATOM 0 HB1 ALA A 9 35.356 19.757 24.096 1.00 0.00 H new ATOM 0 HB2 ALA A 9 36.946 20.276 23.486 1.00 0.00 H new ATOM 0 HB3 ALA A 9 36.808 19.545 25.103 1.00 0.00 H new ATOM 123 N GLY A 10 35.395 22.052 27.316 1.00 0.00 N ATOM 124 CA GLY A 10 34.521 22.265 28.469 1.00 0.00 C ATOM 125 C GLY A 10 34.639 23.708 28.936 1.00 0.00 C ATOM 126 O GLY A 10 35.587 24.047 29.645 1.00 0.00 O ATOM 0 H GLY A 10 36.350 22.359 27.503 1.00 0.00 H new ATOM 0 HA2 GLY A 10 33.488 22.041 28.202 1.00 0.00 H new ATOM 0 HA3 GLY A 10 34.795 21.587 29.277 1.00 0.00 H new ATOM 130 N TRP A 11 33.699 24.552 28.502 1.00 0.00 N ATOM 131 CA TRP A 11 33.816 26.014 28.598 1.00 0.00 C ATOM 132 C TRP A 11 32.541 26.779 28.995 1.00 0.00 C ATOM 133 O TRP A 11 32.649 27.893 29.505 1.00 0.00 O ATOM 134 CB TRP A 11 34.337 26.537 27.249 1.00 0.00 C ATOM 135 CG TRP A 11 33.449 26.309 26.057 1.00 0.00 C ATOM 136 CD1 TRP A 11 33.574 25.297 25.167 1.00 0.00 C ATOM 137 CD2 TRP A 11 32.319 27.111 25.577 1.00 0.00 C ATOM 138 NE1 TRP A 11 32.612 25.409 24.184 1.00 0.00 N ATOM 139 CE2 TRP A 11 31.797 26.498 24.397 1.00 0.00 C ATOM 140 CE3 TRP A 11 31.688 28.297 26.012 1.00 0.00 C ATOM 141 CZ2 TRP A 11 30.698 27.020 23.700 1.00 0.00 C ATOM 142 CZ3 TRP A 11 30.583 28.833 25.317 1.00 0.00 C ATOM 143 CH2 TRP A 11 30.085 28.196 24.167 1.00 0.00 C ATOM 0 H TRP A 11 32.829 24.240 28.071 1.00 0.00 H new ATOM 0 HA TRP A 11 34.502 26.204 29.423 1.00 0.00 H new ATOM 0 HB2 TRP A 11 34.515 27.608 27.343 1.00 0.00 H new ATOM 0 HB3 TRP A 11 35.302 26.070 27.051 1.00 0.00 H new ATOM 0 HD1 TRP A 11 34.318 24.516 25.219 1.00 0.00 H new ATOM 0 HE1 TRP A 11 32.517 24.766 23.398 1.00 0.00 H new ATOM 0 HE3 TRP A 11 32.058 28.803 26.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 30.327 26.525 22.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 30.116 29.740 25.671 1.00 0.00 H new ATOM 0 HH2 TRP A 11 29.235 28.608 23.644 1.00 0.00 H new ATOM 154 N GLU A 12 31.350 26.220 28.767 1.00 0.00 N ATOM 155 CA GLU A 12 30.082 26.956 28.891 1.00 0.00 C ATOM 156 C GLU A 12 29.644 26.972 30.364 1.00 0.00 C ATOM 157 O GLU A 12 29.246 25.936 30.885 1.00 0.00 O ATOM 158 CB GLU A 12 29.040 26.328 27.935 1.00 0.00 C ATOM 159 CG GLU A 12 27.967 27.292 27.404 1.00 0.00 C ATOM 160 CD GLU A 12 26.773 27.505 28.331 1.00 0.00 C ATOM 161 OE1 GLU A 12 25.983 26.562 28.559 1.00 0.00 O ATOM 162 OE2 GLU A 12 26.541 28.657 28.760 1.00 0.00 O ATOM 0 H GLU A 12 31.234 25.245 28.491 1.00 0.00 H new ATOM 0 HA GLU A 12 30.194 27.998 28.593 1.00 0.00 H new ATOM 0 HB2 GLU A 12 29.567 25.894 27.085 1.00 0.00 H new ATOM 0 HB3 GLU A 12 28.543 25.509 28.454 1.00 0.00 H new ATOM 0 HG2 GLU A 12 28.433 28.258 27.209 1.00 0.00 H new ATOM 0 HG3 GLU A 12 27.603 26.915 26.448 1.00 0.00 H new ATOM 169 N VAL A 13 29.780 28.097 31.073 1.00 0.00 N ATOM 170 CA VAL A 13 29.595 28.122 32.540 1.00 0.00 C ATOM 171 C VAL A 13 28.135 27.932 32.955 1.00 0.00 C ATOM 172 O VAL A 13 27.244 28.658 32.505 1.00 0.00 O ATOM 173 CB VAL A 13 30.224 29.345 33.245 1.00 0.00 C ATOM 174 CG1 VAL A 13 29.486 30.685 33.086 1.00 0.00 C ATOM 175 CG2 VAL A 13 30.428 29.068 34.738 1.00 0.00 C ATOM 0 H VAL A 13 30.016 29.001 30.664 1.00 0.00 H new ATOM 0 HA VAL A 13 30.157 27.257 32.892 1.00 0.00 H new ATOM 0 HB VAL A 13 31.172 29.472 32.723 1.00 0.00 H new ATOM 0 HG11 VAL A 13 30.025 31.464 33.625 1.00 0.00 H new ATOM 0 HG12 VAL A 13 29.431 30.947 32.029 1.00 0.00 H new ATOM 0 HG13 VAL A 13 28.478 30.595 33.490 1.00 0.00 H new ATOM 0 HG21 VAL A 13 30.872 29.943 35.213 1.00 0.00 H new ATOM 0 HG22 VAL A 13 29.466 28.852 35.203 1.00 0.00 H new ATOM 0 HG23 VAL A 13 31.091 28.212 34.862 1.00 0.00 H new ATOM 185 N ARG A 14 27.929 26.974 33.859 1.00 0.00 N ATOM 186 CA ARG A 14 26.648 26.582 34.441 1.00 0.00 C ATOM 187 C ARG A 14 26.727 26.561 35.982 1.00 0.00 C ATOM 188 O ARG A 14 27.815 26.544 36.557 1.00 0.00 O ATOM 189 CB ARG A 14 26.303 25.164 33.950 1.00 0.00 C ATOM 190 CG ARG A 14 26.120 24.932 32.440 1.00 0.00 C ATOM 191 CD ARG A 14 24.815 25.459 31.833 1.00 0.00 C ATOM 192 NE ARG A 14 24.962 26.768 31.183 1.00 0.00 N ATOM 193 CZ ARG A 14 24.307 27.887 31.455 1.00 0.00 C ATOM 194 NH1 ARG A 14 23.541 28.031 32.516 1.00 0.00 N ATOM 195 NH2 ARG A 14 24.424 28.894 30.620 1.00 0.00 N ATOM 0 H ARG A 14 28.701 26.417 34.226 1.00 0.00 H new ATOM 0 HA ARG A 14 25.888 27.301 34.137 1.00 0.00 H new ATOM 0 HB2 ARG A 14 27.090 24.494 34.295 1.00 0.00 H new ATOM 0 HB3 ARG A 14 25.382 24.857 34.446 1.00 0.00 H new ATOM 0 HG2 ARG A 14 26.955 25.398 31.917 1.00 0.00 H new ATOM 0 HG3 ARG A 14 26.181 23.861 32.247 1.00 0.00 H new ATOM 0 HD2 ARG A 14 24.445 24.739 31.103 1.00 0.00 H new ATOM 0 HD3 ARG A 14 24.062 25.533 32.617 1.00 0.00 H new ATOM 0 HE ARG A 14 25.651 26.822 30.433 1.00 0.00 H new ATOM 0 HH11 ARG A 14 23.431 27.259 33.174 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.058 28.914 32.680 1.00 0.00 H new ATOM 0 HH21 ARG A 14 25.007 28.802 29.788 1.00 0.00 H new ATOM 0 HH22 ARG A 14 23.931 29.768 30.803 1.00 0.00 H new ATOM 209 N HIS A 15 25.572 26.522 36.654 1.00 0.00 N ATOM 210 CA HIS A 15 25.420 26.476 38.124 1.00 0.00 C ATOM 211 C HIS A 15 23.967 26.141 38.549 1.00 0.00 C ATOM 212 O HIS A 15 23.103 25.944 37.697 1.00 0.00 O ATOM 213 CB HIS A 15 25.939 27.780 38.773 1.00 0.00 C ATOM 214 CG HIS A 15 25.114 29.015 38.516 1.00 0.00 C ATOM 215 ND1 HIS A 15 24.557 29.818 39.513 1.00 0.00 N ATOM 216 CD2 HIS A 15 24.844 29.572 37.299 1.00 0.00 C ATOM 217 CE1 HIS A 15 23.957 30.831 38.868 1.00 0.00 C ATOM 218 NE2 HIS A 15 24.107 30.710 37.538 1.00 0.00 N ATOM 0 H HIS A 15 24.673 26.521 36.172 1.00 0.00 H new ATOM 0 HA HIS A 15 26.038 25.659 38.497 1.00 0.00 H new ATOM 0 HB2 HIS A 15 26.003 27.627 39.850 1.00 0.00 H new ATOM 0 HB3 HIS A 15 26.953 27.963 38.416 1.00 0.00 H new ATOM 0 HD2 HIS A 15 25.150 29.193 36.335 1.00 0.00 H new ATOM 0 HE1 HIS A 15 23.425 31.636 39.353 1.00 0.00 H new ATOM 0 HE2 HIS A 15 23.740 31.348 36.831 1.00 0.00 H new ATOM 226 N SER A 16 23.665 26.072 39.850 1.00 0.00 N ATOM 227 CA SER A 16 22.297 25.811 40.340 1.00 0.00 C ATOM 228 C SER A 16 21.991 26.551 41.654 1.00 0.00 C ATOM 229 O SER A 16 22.899 27.058 42.314 1.00 0.00 O ATOM 230 CB SER A 16 22.035 24.306 40.524 1.00 0.00 C ATOM 231 OG SER A 16 22.392 23.518 39.400 1.00 0.00 O ATOM 0 H SER A 16 24.353 26.194 40.593 1.00 0.00 H new ATOM 0 HA SER A 16 21.628 26.196 39.570 1.00 0.00 H new ATOM 0 HB2 SER A 16 22.591 23.954 41.393 1.00 0.00 H new ATOM 0 HB3 SER A 16 20.977 24.155 40.740 1.00 0.00 H new ATOM 0 HG SER A 16 22.200 22.575 39.587 1.00 0.00 H new ATOM 237 N ASN A 17 20.717 26.621 42.050 1.00 0.00 N ATOM 238 CA ASN A 17 20.241 27.376 43.217 1.00 0.00 C ATOM 239 C ASN A 17 20.863 26.916 44.553 1.00 0.00 C ATOM 240 O ASN A 17 21.294 27.746 45.352 1.00 0.00 O ATOM 241 CB ASN A 17 18.709 27.276 43.241 1.00 0.00 C ATOM 242 CG ASN A 17 18.105 28.017 44.425 1.00 0.00 C ATOM 243 OD1 ASN A 17 18.291 29.218 44.586 1.00 0.00 O ATOM 244 ND2 ASN A 17 17.397 27.325 45.293 1.00 0.00 N ATOM 0 H ASN A 17 19.965 26.141 41.555 1.00 0.00 H new ATOM 0 HA ASN A 17 20.561 28.413 43.115 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.305 27.684 42.314 1.00 0.00 H new ATOM 0 HB3 ASN A 17 18.415 26.227 43.282 1.00 0.00 H new ATOM 0 HD21 ASN A 17 16.997 27.788 46.109 1.00 0.00 H new ATOM 0 HD22 ASN A 17 17.248 26.326 45.149 1.00 0.00 H new ATOM 251 N SER A 18 20.955 25.606 44.789 1.00 0.00 N ATOM 252 CA SER A 18 21.622 25.013 45.963 1.00 0.00 C ATOM 253 C SER A 18 23.136 24.794 45.743 1.00 0.00 C ATOM 254 O SER A 18 23.854 24.378 46.659 1.00 0.00 O ATOM 255 CB SER A 18 20.992 23.651 46.307 1.00 0.00 C ATOM 256 OG SER A 18 19.575 23.627 46.205 1.00 0.00 O ATOM 0 H SER A 18 20.561 24.907 44.159 1.00 0.00 H new ATOM 0 HA SER A 18 21.487 25.724 46.778 1.00 0.00 H new ATOM 0 HB2 SER A 18 21.407 22.892 45.643 1.00 0.00 H new ATOM 0 HB3 SER A 18 21.278 23.376 47.322 1.00 0.00 H new ATOM 0 HG SER A 18 19.246 22.733 46.435 1.00 0.00 H new ATOM 262 N LYS A 19 23.641 25.037 44.526 1.00 0.00 N ATOM 263 CA LYS A 19 25.028 24.777 44.107 1.00 0.00 C ATOM 264 C LYS A 19 25.601 25.987 43.345 1.00 0.00 C ATOM 265 O LYS A 19 25.833 25.935 42.129 1.00 0.00 O ATOM 266 CB LYS A 19 25.116 23.475 43.288 1.00 0.00 C ATOM 267 CG LYS A 19 24.602 22.241 44.041 1.00 0.00 C ATOM 268 CD LYS A 19 24.826 20.962 43.227 1.00 0.00 C ATOM 269 CE LYS A 19 24.181 19.788 43.969 1.00 0.00 C ATOM 270 NZ LYS A 19 24.495 18.490 43.334 1.00 0.00 N ATOM 0 H LYS A 19 23.075 25.435 43.777 1.00 0.00 H new ATOM 0 HA LYS A 19 25.643 24.637 44.996 1.00 0.00 H new ATOM 0 HB2 LYS A 19 24.543 23.594 42.369 1.00 0.00 H new ATOM 0 HB3 LYS A 19 26.153 23.307 42.998 1.00 0.00 H new ATOM 0 HG2 LYS A 19 25.112 22.159 45.001 1.00 0.00 H new ATOM 0 HG3 LYS A 19 23.539 22.358 44.254 1.00 0.00 H new ATOM 0 HD2 LYS A 19 24.391 21.066 42.233 1.00 0.00 H new ATOM 0 HD3 LYS A 19 25.893 20.783 43.091 1.00 0.00 H new ATOM 0 HE2 LYS A 19 24.527 19.779 45.003 1.00 0.00 H new ATOM 0 HE3 LYS A 19 23.100 19.926 43.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 24.039 17.723 43.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 24.143 18.488 42.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 25.525 18.345 43.331 1.00 0.00 H new ATOM 284 N ASN A 20 25.789 27.086 44.075 1.00 0.00 N ATOM 285 CA ASN A 20 26.204 28.392 43.553 1.00 0.00 C ATOM 286 C ASN A 20 27.627 28.403 42.956 1.00 0.00 C ATOM 287 O ASN A 20 27.913 29.231 42.087 1.00 0.00 O ATOM 288 CB ASN A 20 26.088 29.430 44.686 1.00 0.00 C ATOM 289 CG ASN A 20 24.636 29.736 45.037 1.00 0.00 C ATOM 290 OD1 ASN A 20 24.063 30.704 44.553 1.00 0.00 O ATOM 291 ND2 ASN A 20 23.999 28.934 45.870 1.00 0.00 N ATOM 0 H ASN A 20 25.652 27.093 45.086 1.00 0.00 H new ATOM 0 HA ASN A 20 25.541 28.639 42.724 1.00 0.00 H new ATOM 0 HB2 ASN A 20 26.604 29.059 45.571 1.00 0.00 H new ATOM 0 HB3 ASN A 20 26.590 30.350 44.387 1.00 0.00 H new ATOM 0 HD21 ASN A 20 23.026 29.120 46.113 1.00 0.00 H new ATOM 0 HD22 ASN A 20 24.480 28.129 46.271 1.00 0.00 H new ATOM 298 N LEU A 21 28.509 27.490 43.382 1.00 0.00 N ATOM 299 CA LEU A 21 29.878 27.377 42.870 1.00 0.00 C ATOM 300 C LEU A 21 29.833 26.752 41.454 1.00 0.00 C ATOM 301 O LEU A 21 29.316 25.639 41.314 1.00 0.00 O ATOM 302 CB LEU A 21 30.702 26.567 43.893 1.00 0.00 C ATOM 303 CG LEU A 21 32.238 26.651 43.807 1.00 0.00 C ATOM 304 CD1 LEU A 21 32.818 26.015 42.542 1.00 0.00 C ATOM 305 CD2 LEU A 21 32.779 28.072 44.009 1.00 0.00 C ATOM 0 H LEU A 21 28.288 26.801 44.101 1.00 0.00 H new ATOM 0 HA LEU A 21 30.366 28.345 42.759 1.00 0.00 H new ATOM 0 HB2 LEU A 21 30.405 26.888 44.891 1.00 0.00 H new ATOM 0 HB3 LEU A 21 30.418 25.519 43.797 1.00 0.00 H new ATOM 0 HG LEU A 21 32.587 26.051 44.648 1.00 0.00 H new ATOM 0 HD11 LEU A 21 33.904 26.112 42.551 1.00 0.00 H new ATOM 0 HD12 LEU A 21 32.548 24.959 42.509 1.00 0.00 H new ATOM 0 HD13 LEU A 21 32.416 26.520 41.664 1.00 0.00 H new ATOM 0 HD21 LEU A 21 33.867 28.061 43.936 1.00 0.00 H new ATOM 0 HD22 LEU A 21 32.371 28.729 43.241 1.00 0.00 H new ATOM 0 HD23 LEU A 21 32.485 28.437 44.993 1.00 0.00 H new ATOM 317 N PRO A 22 30.310 27.445 40.403 1.00 0.00 N ATOM 318 CA PRO A 22 30.038 27.079 39.015 1.00 0.00 C ATOM 319 C PRO A 22 30.866 25.892 38.510 1.00 0.00 C ATOM 320 O PRO A 22 31.876 25.503 39.101 1.00 0.00 O ATOM 321 CB PRO A 22 30.331 28.343 38.199 1.00 0.00 C ATOM 322 CG PRO A 22 31.418 29.033 39.017 1.00 0.00 C ATOM 323 CD PRO A 22 31.005 28.723 40.455 1.00 0.00 C ATOM 0 HA PRO A 22 29.007 26.741 38.916 1.00 0.00 H new ATOM 0 HB2 PRO A 22 30.674 28.103 37.192 1.00 0.00 H new ATOM 0 HB3 PRO A 22 29.446 28.970 38.094 1.00 0.00 H new ATOM 0 HG2 PRO A 22 32.408 28.640 38.787 1.00 0.00 H new ATOM 0 HG3 PRO A 22 31.448 30.106 38.827 1.00 0.00 H new ATOM 0 HD2 PRO A 22 31.876 28.668 41.108 1.00 0.00 H new ATOM 0 HD3 PRO A 22 30.357 29.504 40.853 1.00 0.00 H new ATOM 331 N TYR A 23 30.441 25.361 37.362 1.00 0.00 N ATOM 332 CA TYR A 23 31.141 24.349 36.566 1.00 0.00 C ATOM 333 C TYR A 23 31.071 24.684 35.064 1.00 0.00 C ATOM 334 O TYR A 23 30.066 25.209 34.592 1.00 0.00 O ATOM 335 CB TYR A 23 30.536 22.964 36.852 1.00 0.00 C ATOM 336 CG TYR A 23 29.122 22.723 36.331 1.00 0.00 C ATOM 337 CD1 TYR A 23 28.937 22.183 35.043 1.00 0.00 C ATOM 338 CD2 TYR A 23 27.994 23.003 37.129 1.00 0.00 C ATOM 339 CE1 TYR A 23 27.651 21.852 34.581 1.00 0.00 C ATOM 340 CE2 TYR A 23 26.696 22.714 36.654 1.00 0.00 C ATOM 341 CZ TYR A 23 26.523 22.111 35.388 1.00 0.00 C ATOM 342 OH TYR A 23 25.283 21.814 34.912 1.00 0.00 O ATOM 0 H TYR A 23 29.555 25.639 36.940 1.00 0.00 H new ATOM 0 HA TYR A 23 32.194 24.340 36.849 1.00 0.00 H new ATOM 0 HB2 TYR A 23 31.193 22.208 36.421 1.00 0.00 H new ATOM 0 HB3 TYR A 23 30.534 22.807 37.931 1.00 0.00 H new ATOM 0 HD1 TYR A 23 29.792 22.022 34.404 1.00 0.00 H new ATOM 0 HD2 TYR A 23 28.123 23.440 38.108 1.00 0.00 H new ATOM 0 HE1 TYR A 23 27.527 21.399 33.608 1.00 0.00 H new ATOM 0 HE2 TYR A 23 25.834 22.954 37.259 1.00 0.00 H new ATOM 0 HH TYR A 23 24.610 22.049 35.584 1.00 0.00 H new ATOM 352 N TYR A 24 32.113 24.365 34.290 1.00 0.00 N ATOM 353 CA TYR A 24 32.133 24.613 32.843 1.00 0.00 C ATOM 354 C TYR A 24 31.655 23.368 32.074 1.00 0.00 C ATOM 355 O TYR A 24 32.244 22.291 32.178 1.00 0.00 O ATOM 356 CB TYR A 24 33.538 25.068 32.419 1.00 0.00 C ATOM 357 CG TYR A 24 34.079 26.255 33.203 1.00 0.00 C ATOM 358 CD1 TYR A 24 33.503 27.530 33.045 1.00 0.00 C ATOM 359 CD2 TYR A 24 35.145 26.084 34.110 1.00 0.00 C ATOM 360 CE1 TYR A 24 33.971 28.623 33.802 1.00 0.00 C ATOM 361 CE2 TYR A 24 35.626 27.174 34.862 1.00 0.00 C ATOM 362 CZ TYR A 24 35.038 28.451 34.714 1.00 0.00 C ATOM 363 OH TYR A 24 35.490 29.511 35.445 1.00 0.00 O ATOM 0 H TYR A 24 32.964 23.929 34.646 1.00 0.00 H new ATOM 0 HA TYR A 24 31.438 25.415 32.596 1.00 0.00 H new ATOM 0 HB2 TYR A 24 34.227 24.231 32.530 1.00 0.00 H new ATOM 0 HB3 TYR A 24 33.519 25.326 31.360 1.00 0.00 H new ATOM 0 HD1 TYR A 24 32.698 27.671 32.339 1.00 0.00 H new ATOM 0 HD2 TYR A 24 35.596 25.110 34.229 1.00 0.00 H new ATOM 0 HE1 TYR A 24 33.514 29.594 33.685 1.00 0.00 H new ATOM 0 HE2 TYR A 24 36.445 27.034 35.552 1.00 0.00 H new ATOM 0 HH TYR A 24 36.226 29.220 36.023 1.00 0.00 H new ATOM 373 N PHE A 25 30.560 23.485 31.324 1.00 0.00 N ATOM 374 CA PHE A 25 29.920 22.383 30.607 1.00 0.00 C ATOM 375 C PHE A 25 30.616 22.082 29.274 1.00 0.00 C ATOM 376 O PHE A 25 30.969 22.992 28.517 1.00 0.00 O ATOM 377 CB PHE A 25 28.442 22.743 30.411 1.00 0.00 C ATOM 378 CG PHE A 25 27.590 21.718 29.688 1.00 0.00 C ATOM 379 CD1 PHE A 25 26.945 20.696 30.410 1.00 0.00 C ATOM 380 CD2 PHE A 25 27.366 21.836 28.303 1.00 0.00 C ATOM 381 CE1 PHE A 25 26.066 19.813 29.758 1.00 0.00 C ATOM 382 CE2 PHE A 25 26.472 20.964 27.656 1.00 0.00 C ATOM 383 CZ PHE A 25 25.822 19.952 28.382 1.00 0.00 C ATOM 0 H PHE A 25 30.080 24.375 31.195 1.00 0.00 H new ATOM 0 HA PHE A 25 30.003 21.467 31.193 1.00 0.00 H new ATOM 0 HB2 PHE A 25 28.001 22.924 31.391 1.00 0.00 H new ATOM 0 HB3 PHE A 25 28.389 23.682 29.860 1.00 0.00 H new ATOM 0 HD1 PHE A 25 27.126 20.590 31.469 1.00 0.00 H new ATOM 0 HD2 PHE A 25 27.882 22.597 27.736 1.00 0.00 H new ATOM 0 HE1 PHE A 25 25.578 19.027 30.316 1.00 0.00 H new ATOM 0 HE2 PHE A 25 26.285 21.073 26.598 1.00 0.00 H new ATOM 0 HZ PHE A 25 25.137 19.283 27.883 1.00 0.00 H new ATOM 393 N ASN A 26 30.768 20.789 28.972 1.00 0.00 N ATOM 394 CA ASN A 26 31.255 20.293 27.688 1.00 0.00 C ATOM 395 C ASN A 26 30.048 20.013 26.763 1.00 0.00 C ATOM 396 O ASN A 26 29.239 19.145 27.101 1.00 0.00 O ATOM 397 CB ASN A 26 32.081 19.003 27.899 1.00 0.00 C ATOM 398 CG ASN A 26 33.323 19.154 28.784 1.00 0.00 C ATOM 399 OD1 ASN A 26 33.266 19.606 29.922 1.00 0.00 O ATOM 400 ND2 ASN A 26 34.486 18.737 28.318 1.00 0.00 N ATOM 0 H ASN A 26 30.550 20.043 29.632 1.00 0.00 H new ATOM 0 HA ASN A 26 31.898 21.042 27.225 1.00 0.00 H new ATOM 0 HB2 ASN A 26 31.433 18.245 28.338 1.00 0.00 H new ATOM 0 HB3 ASN A 26 32.394 18.629 26.924 1.00 0.00 H new ATOM 0 HD21 ASN A 26 35.320 18.794 28.903 1.00 0.00 H new ATOM 0 HD22 ASN A 26 34.551 18.358 27.373 1.00 0.00 H new ATOM 407 N PRO A 27 29.886 20.684 25.603 1.00 0.00 N ATOM 408 CA PRO A 27 28.758 20.419 24.706 1.00 0.00 C ATOM 409 C PRO A 27 28.858 19.052 24.019 1.00 0.00 C ATOM 410 O PRO A 27 27.881 18.306 23.999 1.00 0.00 O ATOM 411 CB PRO A 27 28.741 21.580 23.706 1.00 0.00 C ATOM 412 CG PRO A 27 30.178 22.103 23.708 1.00 0.00 C ATOM 413 CD PRO A 27 30.650 21.834 25.137 1.00 0.00 C ATOM 0 HA PRO A 27 27.822 20.366 25.261 1.00 0.00 H new ATOM 0 HB2 PRO A 27 28.441 21.245 22.713 1.00 0.00 H new ATOM 0 HB3 PRO A 27 28.036 22.354 24.008 1.00 0.00 H new ATOM 0 HG2 PRO A 27 30.796 21.583 22.976 1.00 0.00 H new ATOM 0 HG3 PRO A 27 30.220 23.165 23.464 1.00 0.00 H new ATOM 0 HD2 PRO A 27 31.720 21.628 25.162 1.00 0.00 H new ATOM 0 HD3 PRO A 27 30.478 22.701 25.775 1.00 0.00 H new ATOM 421 N ALA A 28 30.033 18.701 23.483 1.00 0.00 N ATOM 422 CA ALA A 28 30.227 17.528 22.623 1.00 0.00 C ATOM 423 C ALA A 28 30.613 16.224 23.362 1.00 0.00 C ATOM 424 O ALA A 28 31.011 15.243 22.723 1.00 0.00 O ATOM 425 CB ALA A 28 31.269 17.927 21.572 1.00 0.00 C ATOM 0 H ALA A 28 30.890 19.233 23.637 1.00 0.00 H new ATOM 0 HA ALA A 28 29.271 17.267 22.170 1.00 0.00 H new ATOM 0 HB1 ALA A 28 31.451 17.086 20.903 1.00 0.00 H new ATOM 0 HB2 ALA A 28 30.899 18.775 20.996 1.00 0.00 H new ATOM 0 HB3 ALA A 28 32.199 18.204 22.069 1.00 0.00 H new ATOM 431 N THR A 29 30.549 16.213 24.702 1.00 0.00 N ATOM 432 CA THR A 29 30.940 15.090 25.579 1.00 0.00 C ATOM 433 C THR A 29 30.129 15.138 26.868 1.00 0.00 C ATOM 434 O THR A 29 29.915 16.222 27.406 1.00 0.00 O ATOM 435 CB THR A 29 32.448 15.131 25.894 1.00 0.00 C ATOM 436 OG1 THR A 29 33.188 15.051 24.698 1.00 0.00 O ATOM 437 CG2 THR A 29 32.917 13.942 26.737 1.00 0.00 C ATOM 0 H THR A 29 30.210 17.018 25.229 1.00 0.00 H new ATOM 0 HA THR A 29 30.733 14.156 25.057 1.00 0.00 H new ATOM 0 HB THR A 29 32.607 16.062 26.438 1.00 0.00 H new ATOM 0 HG1 THR A 29 34.146 15.079 24.903 1.00 0.00 H new ATOM 0 HG21 THR A 29 33.987 14.029 26.925 1.00 0.00 H new ATOM 0 HG22 THR A 29 32.381 13.935 27.686 1.00 0.00 H new ATOM 0 HG23 THR A 29 32.717 13.014 26.201 1.00 0.00 H new ATOM 445 N ARG A 30 29.697 13.987 27.397 1.00 0.00 N ATOM 446 CA ARG A 30 29.114 13.878 28.744 1.00 0.00 C ATOM 447 C ARG A 30 30.223 14.078 29.786 1.00 0.00 C ATOM 448 O ARG A 30 30.988 13.163 30.093 1.00 0.00 O ATOM 449 CB ARG A 30 28.380 12.534 28.905 1.00 0.00 C ATOM 450 CG ARG A 30 27.017 12.576 28.193 1.00 0.00 C ATOM 451 CD ARG A 30 26.382 11.198 27.961 1.00 0.00 C ATOM 452 NE ARG A 30 25.930 10.519 29.188 1.00 0.00 N ATOM 453 CZ ARG A 30 24.751 10.651 29.785 1.00 0.00 C ATOM 454 NH1 ARG A 30 23.891 11.584 29.440 1.00 0.00 N ATOM 455 NH2 ARG A 30 24.406 9.823 30.749 1.00 0.00 N ATOM 0 H ARG A 30 29.742 13.097 26.900 1.00 0.00 H new ATOM 0 HA ARG A 30 28.366 14.656 28.897 1.00 0.00 H new ATOM 0 HB2 ARG A 30 28.988 11.729 28.492 1.00 0.00 H new ATOM 0 HB3 ARG A 30 28.238 12.315 29.963 1.00 0.00 H new ATOM 0 HG2 ARG A 30 26.331 13.184 28.782 1.00 0.00 H new ATOM 0 HG3 ARG A 30 27.138 13.074 27.231 1.00 0.00 H new ATOM 0 HD2 ARG A 30 25.531 11.313 27.290 1.00 0.00 H new ATOM 0 HD3 ARG A 30 27.105 10.560 27.453 1.00 0.00 H new ATOM 0 HE ARG A 30 26.593 9.879 29.626 1.00 0.00 H new ATOM 0 HH11 ARG A 30 24.120 12.237 28.691 1.00 0.00 H new ATOM 0 HH12 ARG A 30 22.995 11.655 29.922 1.00 0.00 H new ATOM 0 HH21 ARG A 30 25.044 9.081 31.037 1.00 0.00 H new ATOM 0 HH22 ARG A 30 23.501 9.924 31.208 1.00 0.00 H new ATOM 469 N GLU A 31 30.341 15.316 30.264 1.00 0.00 N ATOM 470 CA GLU A 31 31.431 15.831 31.092 1.00 0.00 C ATOM 471 C GLU A 31 31.129 17.268 31.544 1.00 0.00 C ATOM 472 O GLU A 31 30.384 18.005 30.891 1.00 0.00 O ATOM 473 CB GLU A 31 32.766 15.797 30.310 1.00 0.00 C ATOM 474 CG GLU A 31 34.024 16.066 31.149 1.00 0.00 C ATOM 475 CD GLU A 31 34.159 15.048 32.275 1.00 0.00 C ATOM 476 OE1 GLU A 31 34.715 13.958 32.009 1.00 0.00 O ATOM 477 OE2 GLU A 31 33.702 15.316 33.409 1.00 0.00 O ATOM 0 H GLU A 31 29.637 16.028 30.072 1.00 0.00 H new ATOM 0 HA GLU A 31 31.521 15.195 31.973 1.00 0.00 H new ATOM 0 HB2 GLU A 31 32.866 14.820 29.837 1.00 0.00 H new ATOM 0 HB3 GLU A 31 32.718 16.535 29.509 1.00 0.00 H new ATOM 0 HG2 GLU A 31 34.906 16.026 30.510 1.00 0.00 H new ATOM 0 HG3 GLU A 31 33.978 17.072 31.567 1.00 0.00 H new ATOM 484 N SER A 32 31.761 17.683 32.633 1.00 0.00 N ATOM 485 CA SER A 32 31.958 19.094 32.973 1.00 0.00 C ATOM 486 C SER A 32 33.361 19.314 33.546 1.00 0.00 C ATOM 487 O SER A 32 33.812 18.581 34.431 1.00 0.00 O ATOM 488 CB SER A 32 30.904 19.593 33.972 1.00 0.00 C ATOM 489 OG SER A 32 30.657 18.671 35.020 1.00 0.00 O ATOM 0 H SER A 32 32.159 17.042 33.319 1.00 0.00 H new ATOM 0 HA SER A 32 31.847 19.668 32.053 1.00 0.00 H new ATOM 0 HB2 SER A 32 31.235 20.540 34.399 1.00 0.00 H new ATOM 0 HB3 SER A 32 29.973 19.790 33.441 1.00 0.00 H new ATOM 0 HG SER A 32 29.981 19.039 35.627 1.00 0.00 H new ATOM 495 N ARG A 33 34.051 20.345 33.058 1.00 0.00 N ATOM 496 CA ARG A 33 35.346 20.772 33.568 1.00 0.00 C ATOM 497 C ARG A 33 35.150 21.650 34.815 1.00 0.00 C ATOM 498 O ARG A 33 34.547 22.720 34.775 1.00 0.00 O ATOM 499 CB ARG A 33 36.116 21.469 32.438 1.00 0.00 C ATOM 500 CG ARG A 33 37.597 21.695 32.767 1.00 0.00 C ATOM 501 CD ARG A 33 38.444 20.428 32.972 1.00 0.00 C ATOM 502 NE ARG A 33 38.408 19.491 31.834 1.00 0.00 N ATOM 503 CZ ARG A 33 37.932 18.248 31.801 1.00 0.00 C ATOM 504 NH1 ARG A 33 37.265 17.678 32.779 1.00 0.00 N ATOM 505 NH2 ARG A 33 38.148 17.506 30.743 1.00 0.00 N ATOM 0 H ARG A 33 33.715 20.915 32.282 1.00 0.00 H new ATOM 0 HA ARG A 33 35.946 19.920 33.889 1.00 0.00 H new ATOM 0 HB2 ARG A 33 36.039 20.869 31.531 1.00 0.00 H new ATOM 0 HB3 ARG A 33 35.647 22.430 32.226 1.00 0.00 H new ATOM 0 HG2 ARG A 33 38.042 22.279 31.962 1.00 0.00 H new ATOM 0 HG3 ARG A 33 37.659 22.300 33.672 1.00 0.00 H new ATOM 0 HD2 ARG A 33 39.478 20.720 33.156 1.00 0.00 H new ATOM 0 HD3 ARG A 33 38.095 19.911 33.866 1.00 0.00 H new ATOM 0 HE ARG A 33 38.798 19.840 30.959 1.00 0.00 H new ATOM 0 HH11 ARG A 33 37.080 18.194 33.639 1.00 0.00 H new ATOM 0 HH12 ARG A 33 36.932 16.719 32.678 1.00 0.00 H new ATOM 0 HH21 ARG A 33 38.676 17.882 29.956 1.00 0.00 H new ATOM 0 HH22 ARG A 33 37.788 16.552 30.707 1.00 0.00 H new ATOM 519 N TRP A 34 35.666 21.167 35.942 1.00 0.00 N ATOM 520 CA TRP A 34 35.444 21.715 37.288 1.00 0.00 C ATOM 521 C TRP A 34 36.445 22.814 37.689 1.00 0.00 C ATOM 522 O TRP A 34 36.165 23.580 38.606 1.00 0.00 O ATOM 523 CB TRP A 34 35.508 20.561 38.320 1.00 0.00 C ATOM 524 CG TRP A 34 35.632 19.159 37.791 1.00 0.00 C ATOM 525 CD1 TRP A 34 34.677 18.206 37.856 1.00 0.00 C ATOM 526 CD2 TRP A 34 36.750 18.553 37.063 1.00 0.00 C ATOM 527 NE1 TRP A 34 35.128 17.053 37.244 1.00 0.00 N ATOM 528 CE2 TRP A 34 36.379 17.226 36.693 1.00 0.00 C ATOM 529 CE3 TRP A 34 38.011 19.016 36.619 1.00 0.00 C ATOM 530 CZ2 TRP A 34 37.215 16.406 35.920 1.00 0.00 C ATOM 531 CZ3 TRP A 34 38.874 18.185 35.880 1.00 0.00 C ATOM 532 CH2 TRP A 34 38.480 16.881 35.531 1.00 0.00 C ATOM 0 H TRP A 34 36.276 20.350 35.949 1.00 0.00 H new ATOM 0 HA TRP A 34 34.461 22.186 37.275 1.00 0.00 H new ATOM 0 HB2 TRP A 34 36.355 20.747 38.980 1.00 0.00 H new ATOM 0 HB3 TRP A 34 34.609 20.610 38.934 1.00 0.00 H new ATOM 0 HD1 TRP A 34 33.708 18.327 38.317 1.00 0.00 H new ATOM 0 HE1 TRP A 34 34.600 16.181 37.205 1.00 0.00 H new ATOM 0 HE3 TRP A 34 38.317 20.025 36.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 36.890 15.419 35.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 39.845 18.551 35.579 1.00 0.00 H new ATOM 0 HH2 TRP A 34 39.147 16.246 34.966 1.00 0.00 H new ATOM 543 N GLU A 35 37.616 22.844 37.051 1.00 0.00 N ATOM 544 CA GLU A 35 38.834 23.562 37.447 1.00 0.00 C ATOM 545 C GLU A 35 39.740 23.711 36.208 1.00 0.00 C ATOM 546 O GLU A 35 39.601 22.904 35.279 1.00 0.00 O ATOM 547 CB GLU A 35 39.575 22.768 38.545 1.00 0.00 C ATOM 548 CG GLU A 35 39.155 23.122 39.978 1.00 0.00 C ATOM 549 CD GLU A 35 39.679 24.493 40.395 1.00 0.00 C ATOM 550 OE1 GLU A 35 40.880 24.576 40.753 1.00 0.00 O ATOM 551 OE2 GLU A 35 38.897 25.473 40.380 1.00 0.00 O ATOM 0 H GLU A 35 37.750 22.330 36.180 1.00 0.00 H new ATOM 0 HA GLU A 35 38.576 24.545 37.840 1.00 0.00 H new ATOM 0 HB2 GLU A 35 39.406 21.703 38.383 1.00 0.00 H new ATOM 0 HB3 GLU A 35 40.646 22.941 38.440 1.00 0.00 H new ATOM 0 HG2 GLU A 35 38.068 23.109 40.053 1.00 0.00 H new ATOM 0 HG3 GLU A 35 39.530 22.364 40.665 1.00 0.00 H new ATOM 558 N PRO A 36 40.651 24.706 36.166 1.00 0.00 N ATOM 559 CA PRO A 36 41.409 25.041 34.965 1.00 0.00 C ATOM 560 C PRO A 36 42.413 23.936 34.585 1.00 0.00 C ATOM 561 O PRO A 36 43.314 23.644 35.378 1.00 0.00 O ATOM 562 CB PRO A 36 42.101 26.371 35.265 1.00 0.00 C ATOM 563 CG PRO A 36 42.198 26.403 36.788 1.00 0.00 C ATOM 564 CD PRO A 36 40.927 25.675 37.219 1.00 0.00 C ATOM 0 HA PRO A 36 40.753 25.127 34.099 1.00 0.00 H new ATOM 0 HB2 PRO A 36 43.086 26.422 34.801 1.00 0.00 H new ATOM 0 HB3 PRO A 36 41.526 27.215 34.884 1.00 0.00 H new ATOM 0 HG2 PRO A 36 43.095 25.899 37.148 1.00 0.00 H new ATOM 0 HG3 PRO A 36 42.230 27.423 37.171 1.00 0.00 H new ATOM 0 HD2 PRO A 36 41.066 25.180 38.180 1.00 0.00 H new ATOM 0 HD3 PRO A 36 40.097 26.372 37.337 1.00 0.00 H new ATOM 572 N PRO A 37 42.287 23.331 33.384 1.00 0.00 N ATOM 573 CA PRO A 37 43.131 22.231 32.914 1.00 0.00 C ATOM 574 C PRO A 37 44.444 22.740 32.289 1.00 0.00 C ATOM 575 O PRO A 37 44.780 23.915 32.411 1.00 0.00 O ATOM 576 CB PRO A 37 42.244 21.487 31.905 1.00 0.00 C ATOM 577 CG PRO A 37 41.407 22.595 31.283 1.00 0.00 C ATOM 578 CD PRO A 37 41.228 23.593 32.418 1.00 0.00 C ATOM 0 HA PRO A 37 43.460 21.579 33.723 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.839 20.965 31.156 1.00 0.00 H new ATOM 0 HB3 PRO A 37 41.620 20.739 32.394 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.912 23.046 30.429 1.00 0.00 H new ATOM 0 HG3 PRO A 37 40.448 22.220 30.925 1.00 0.00 H new ATOM 0 HD2 PRO A 37 41.289 24.616 32.046 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.247 23.480 32.880 1.00 0.00 H new ATOM 586 N ALA A 38 45.181 21.856 31.607 1.00 0.00 N ATOM 587 CA ALA A 38 46.357 22.187 30.797 1.00 0.00 C ATOM 588 C ALA A 38 46.001 22.546 29.343 1.00 0.00 C ATOM 589 O ALA A 38 46.671 23.384 28.741 1.00 0.00 O ATOM 590 CB ALA A 38 47.321 20.993 30.844 1.00 0.00 C ATOM 0 H ALA A 38 44.968 20.859 31.604 1.00 0.00 H new ATOM 0 HA ALA A 38 46.826 23.078 31.215 1.00 0.00 H new ATOM 0 HB1 ALA A 38 48.206 21.216 30.247 1.00 0.00 H new ATOM 0 HB2 ALA A 38 47.617 20.805 31.876 1.00 0.00 H new ATOM 0 HB3 ALA A 38 46.825 20.109 30.442 1.00 0.00 H new ATOM 596 N ASP A 39 44.937 21.958 28.782 1.00 0.00 N ATOM 597 CA ASP A 39 44.467 22.183 27.398 1.00 0.00 C ATOM 598 C ASP A 39 43.860 23.595 27.172 1.00 0.00 C ATOM 599 O ASP A 39 43.494 23.960 26.051 1.00 0.00 O ATOM 600 CB ASP A 39 43.475 21.050 27.046 1.00 0.00 C ATOM 601 CG ASP A 39 43.237 20.808 25.546 1.00 0.00 C ATOM 602 OD1 ASP A 39 44.123 21.110 24.709 1.00 0.00 O ATOM 603 OD2 ASP A 39 42.200 20.191 25.202 1.00 0.00 O ATOM 0 H ASP A 39 44.357 21.290 29.290 1.00 0.00 H new ATOM 0 HA ASP A 39 45.323 22.154 26.724 1.00 0.00 H new ATOM 0 HB2 ASP A 39 43.839 20.124 27.491 1.00 0.00 H new ATOM 0 HB3 ASP A 39 42.517 21.274 27.515 1.00 0.00 H new ATOM 608 N THR A 40 43.776 24.396 28.245 1.00 0.00 N ATOM 609 CA THR A 40 43.301 25.788 28.269 1.00 0.00 C ATOM 610 C THR A 40 44.385 26.775 27.824 1.00 0.00 C ATOM 611 O THR A 40 45.577 26.473 27.847 1.00 0.00 O ATOM 612 CB THR A 40 42.738 26.103 29.658 1.00 0.00 C ATOM 613 OG1 THR A 40 41.961 27.271 29.636 1.00 0.00 O ATOM 614 CG2 THR A 40 43.815 26.327 30.711 1.00 0.00 C ATOM 0 H THR A 40 44.053 24.072 29.171 1.00 0.00 H new ATOM 0 HA THR A 40 42.498 25.905 27.542 1.00 0.00 H new ATOM 0 HB THR A 40 42.147 25.225 29.920 1.00 0.00 H new ATOM 0 HG1 THR A 40 41.683 27.461 28.716 1.00 0.00 H new ATOM 0 HG21 THR A 40 43.346 26.545 31.670 1.00 0.00 H new ATOM 0 HG22 THR A 40 44.427 25.430 30.802 1.00 0.00 H new ATOM 0 HG23 THR A 40 44.444 27.167 30.415 1.00 0.00 H new ATOM 622 N ASP A 41 43.939 27.956 27.412 1.00 0.00 N ATOM 623 CA ASP A 41 44.664 28.945 26.610 1.00 0.00 C ATOM 624 C ASP A 41 44.723 30.305 27.320 1.00 0.00 C ATOM 625 O ASP A 41 44.196 31.303 26.838 1.00 0.00 O ATOM 626 CB ASP A 41 43.966 29.074 25.244 1.00 0.00 C ATOM 627 CG ASP A 41 44.771 29.816 24.174 1.00 0.00 C ATOM 628 OD1 ASP A 41 45.877 30.342 24.441 1.00 0.00 O ATOM 629 OD2 ASP A 41 44.296 29.849 23.017 1.00 0.00 O ATOM 0 H ASP A 41 42.998 28.273 27.643 1.00 0.00 H new ATOM 0 HA ASP A 41 45.693 28.612 26.472 1.00 0.00 H new ATOM 0 HB2 ASP A 41 43.734 28.075 24.875 1.00 0.00 H new ATOM 0 HB3 ASP A 41 43.016 29.590 25.385 1.00 0.00 H new ATOM 634 N MET A 42 45.314 30.340 28.514 1.00 0.00 N ATOM 635 CA MET A 42 45.596 31.538 29.317 1.00 0.00 C ATOM 636 C MET A 42 45.923 32.832 28.548 1.00 0.00 C ATOM 637 O MET A 42 45.387 33.863 28.942 1.00 0.00 O ATOM 638 CB MET A 42 46.683 31.209 30.347 1.00 0.00 C ATOM 639 CG MET A 42 46.148 30.177 31.352 1.00 0.00 C ATOM 640 SD MET A 42 46.805 28.509 31.135 1.00 0.00 S ATOM 641 CE MET A 42 48.377 28.791 31.988 1.00 0.00 C ATOM 0 H MET A 42 45.628 29.487 28.976 1.00 0.00 H new ATOM 0 HA MET A 42 44.651 31.784 29.801 1.00 0.00 H new ATOM 0 HB2 MET A 42 47.567 30.817 29.844 1.00 0.00 H new ATOM 0 HB3 MET A 42 46.989 32.115 30.870 1.00 0.00 H new ATOM 0 HG2 MET A 42 46.381 30.517 32.361 1.00 0.00 H new ATOM 0 HG3 MET A 42 45.062 30.139 31.271 1.00 0.00 H new ATOM 0 HE1 MET A 42 48.966 27.874 31.979 1.00 0.00 H new ATOM 0 HE2 MET A 42 48.930 29.582 31.481 1.00 0.00 H new ATOM 0 HE3 MET A 42 48.183 29.088 33.019 1.00 0.00 H new ATOM 651 N GLU A 43 46.659 32.809 27.433 1.00 0.00 N ATOM 652 CA GLU A 43 46.867 33.983 26.555 1.00 0.00 C ATOM 653 C GLU A 43 45.543 34.634 26.093 1.00 0.00 C ATOM 654 O GLU A 43 45.415 35.866 26.087 1.00 0.00 O ATOM 655 CB GLU A 43 47.772 33.560 25.378 1.00 0.00 C ATOM 656 CG GLU A 43 47.712 34.402 24.092 1.00 0.00 C ATOM 657 CD GLU A 43 46.772 33.763 23.067 1.00 0.00 C ATOM 658 OE1 GLU A 43 47.186 32.768 22.433 1.00 0.00 O ATOM 659 OE2 GLU A 43 45.613 34.217 22.921 1.00 0.00 O ATOM 0 H GLU A 43 47.136 31.970 27.104 1.00 0.00 H new ATOM 0 HA GLU A 43 47.366 34.768 27.124 1.00 0.00 H new ATOM 0 HB2 GLU A 43 48.803 33.560 25.731 1.00 0.00 H new ATOM 0 HB3 GLU A 43 47.524 32.531 25.117 1.00 0.00 H new ATOM 0 HG2 GLU A 43 47.370 35.410 24.327 1.00 0.00 H new ATOM 0 HG3 GLU A 43 48.711 34.496 23.667 1.00 0.00 H new ATOM 666 N THR A 44 44.534 33.825 25.756 1.00 0.00 N ATOM 667 CA THR A 44 43.138 34.237 25.514 1.00 0.00 C ATOM 668 C THR A 44 42.368 34.420 26.821 1.00 0.00 C ATOM 669 O THR A 44 41.401 35.182 26.861 1.00 0.00 O ATOM 670 CB THR A 44 42.463 33.179 24.623 1.00 0.00 C ATOM 671 OG1 THR A 44 43.100 33.198 23.363 1.00 0.00 O ATOM 672 CG2 THR A 44 40.985 33.471 24.336 1.00 0.00 C ATOM 0 H THR A 44 44.668 32.821 25.638 1.00 0.00 H new ATOM 0 HA THR A 44 43.134 35.204 25.011 1.00 0.00 H new ATOM 0 HB THR A 44 42.542 32.231 25.155 1.00 0.00 H new ATOM 0 HG1 THR A 44 43.972 33.638 23.444 1.00 0.00 H new ATOM 0 HG21 THR A 44 40.575 32.684 23.703 1.00 0.00 H new ATOM 0 HG22 THR A 44 40.432 33.506 25.275 1.00 0.00 H new ATOM 0 HG23 THR A 44 40.896 34.430 23.826 1.00 0.00 H new ATOM 680 N LEU A 45 42.769 33.727 27.890 1.00 0.00 N ATOM 681 CA LEU A 45 41.941 33.490 29.069 1.00 0.00 C ATOM 682 C LEU A 45 42.141 34.502 30.195 1.00 0.00 C ATOM 683 O LEU A 45 41.214 34.684 30.975 1.00 0.00 O ATOM 684 CB LEU A 45 42.205 32.068 29.610 1.00 0.00 C ATOM 685 CG LEU A 45 41.029 31.118 29.883 1.00 0.00 C ATOM 686 CD1 LEU A 45 41.345 30.249 31.111 1.00 0.00 C ATOM 687 CD2 LEU A 45 39.689 31.773 30.038 1.00 0.00 C ATOM 0 H LEU A 45 43.696 33.308 27.959 1.00 0.00 H new ATOM 0 HA LEU A 45 40.909 33.604 28.736 1.00 0.00 H new ATOM 0 HB2 LEU A 45 42.866 31.569 28.901 1.00 0.00 H new ATOM 0 HB3 LEU A 45 42.759 32.174 30.543 1.00 0.00 H new ATOM 0 HG LEU A 45 40.933 30.510 28.984 1.00 0.00 H new ATOM 0 HD11 LEU A 45 40.510 29.575 31.304 1.00 0.00 H new ATOM 0 HD12 LEU A 45 42.246 29.666 30.922 1.00 0.00 H new ATOM 0 HD13 LEU A 45 41.503 30.889 31.979 1.00 0.00 H new ATOM 0 HD21 LEU A 45 38.932 31.012 30.227 1.00 0.00 H new ATOM 0 HD22 LEU A 45 39.720 32.470 30.875 1.00 0.00 H new ATOM 0 HD23 LEU A 45 39.440 32.313 29.125 1.00 0.00 H new ATOM 699 N LYS A 46 43.279 35.192 30.327 1.00 0.00 N ATOM 700 CA LYS A 46 43.369 36.275 31.320 1.00 0.00 C ATOM 701 C LYS A 46 42.507 37.500 30.926 1.00 0.00 C ATOM 702 O LYS A 46 42.178 38.316 31.785 1.00 0.00 O ATOM 703 CB LYS A 46 44.827 36.668 31.636 1.00 0.00 C ATOM 704 CG LYS A 46 45.516 35.866 32.756 1.00 0.00 C ATOM 705 CD LYS A 46 45.996 34.470 32.342 1.00 0.00 C ATOM 706 CE LYS A 46 45.001 33.358 32.697 1.00 0.00 C ATOM 707 NZ LYS A 46 45.321 32.721 33.998 1.00 0.00 N ATOM 0 H LYS A 46 44.125 35.031 29.781 1.00 0.00 H new ATOM 0 HA LYS A 46 42.951 35.879 32.245 1.00 0.00 H new ATOM 0 HB2 LYS A 46 45.416 36.562 30.725 1.00 0.00 H new ATOM 0 HB3 LYS A 46 44.847 37.724 31.907 1.00 0.00 H new ATOM 0 HG2 LYS A 46 46.371 36.436 33.120 1.00 0.00 H new ATOM 0 HG3 LYS A 46 44.823 35.764 33.591 1.00 0.00 H new ATOM 0 HD2 LYS A 46 46.175 34.459 31.267 1.00 0.00 H new ATOM 0 HD3 LYS A 46 46.950 34.263 32.826 1.00 0.00 H new ATOM 0 HE2 LYS A 46 43.993 33.771 32.734 1.00 0.00 H new ATOM 0 HE3 LYS A 46 45.007 32.602 31.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 44.625 31.975 34.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 46.273 32.304 33.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 45.290 33.437 34.752 1.00 0.00 H new ATOM 721 N MET A 47 42.033 37.579 29.675 1.00 0.00 N ATOM 722 CA MET A 47 40.944 38.485 29.256 1.00 0.00 C ATOM 723 C MET A 47 39.557 38.069 29.790 1.00 0.00 C ATOM 724 O MET A 47 38.610 38.844 29.698 1.00 0.00 O ATOM 725 CB MET A 47 40.888 38.571 27.722 1.00 0.00 C ATOM 726 CG MET A 47 42.211 38.975 27.059 1.00 0.00 C ATOM 727 SD MET A 47 42.833 40.602 27.549 1.00 0.00 S ATOM 728 CE MET A 47 44.384 40.558 26.616 1.00 0.00 C ATOM 0 H MET A 47 42.398 37.009 28.912 1.00 0.00 H new ATOM 0 HA MET A 47 41.177 39.458 29.689 1.00 0.00 H new ATOM 0 HB2 MET A 47 40.579 37.603 27.327 1.00 0.00 H new ATOM 0 HB3 MET A 47 40.120 39.290 27.439 1.00 0.00 H new ATOM 0 HG2 MET A 47 42.965 38.225 27.297 1.00 0.00 H new ATOM 0 HG3 MET A 47 42.079 38.962 25.977 1.00 0.00 H new ATOM 0 HE1 MET A 47 44.934 41.485 26.780 1.00 0.00 H new ATOM 0 HE2 MET A 47 44.987 39.714 26.952 1.00 0.00 H new ATOM 0 HE3 MET A 47 44.166 40.449 25.554 1.00 0.00 H new ATOM 738 N TYR A 48 39.414 36.857 30.338 1.00 0.00 N ATOM 739 CA TYR A 48 38.170 36.292 30.888 1.00 0.00 C ATOM 740 C TYR A 48 38.247 36.096 32.414 1.00 0.00 C ATOM 741 O TYR A 48 37.385 36.567 33.157 1.00 0.00 O ATOM 742 CB TYR A 48 37.929 34.951 30.174 1.00 0.00 C ATOM 743 CG TYR A 48 36.769 34.122 30.700 1.00 0.00 C ATOM 744 CD1 TYR A 48 35.445 34.531 30.458 1.00 0.00 C ATOM 745 CD2 TYR A 48 37.007 32.910 31.381 1.00 0.00 C ATOM 746 CE1 TYR A 48 34.370 33.722 30.870 1.00 0.00 C ATOM 747 CE2 TYR A 48 35.937 32.088 31.775 1.00 0.00 C ATOM 748 CZ TYR A 48 34.609 32.491 31.516 1.00 0.00 C ATOM 749 OH TYR A 48 33.566 31.682 31.842 1.00 0.00 O ATOM 0 H TYR A 48 40.199 36.210 30.415 1.00 0.00 H new ATOM 0 HA TYR A 48 37.343 36.981 30.717 1.00 0.00 H new ATOM 0 HB2 TYR A 48 37.759 35.150 29.116 1.00 0.00 H new ATOM 0 HB3 TYR A 48 38.839 34.355 30.244 1.00 0.00 H new ATOM 0 HD1 TYR A 48 35.253 35.467 29.955 1.00 0.00 H new ATOM 0 HD2 TYR A 48 38.021 32.611 31.602 1.00 0.00 H new ATOM 0 HE1 TYR A 48 33.355 34.046 30.690 1.00 0.00 H new ATOM 0 HE2 TYR A 48 36.130 31.150 32.275 1.00 0.00 H new ATOM 0 HH TYR A 48 33.908 30.827 32.177 1.00 0.00 H new ATOM 759 N MET A 49 39.313 35.438 32.881 1.00 0.00 N ATOM 760 CA MET A 49 39.612 35.136 34.289 1.00 0.00 C ATOM 761 C MET A 49 40.158 36.334 35.089 1.00 0.00 C ATOM 762 O MET A 49 40.340 36.225 36.302 1.00 0.00 O ATOM 763 CB MET A 49 40.583 33.940 34.342 1.00 0.00 C ATOM 764 CG MET A 49 39.963 32.612 33.890 1.00 0.00 C ATOM 765 SD MET A 49 38.333 32.179 34.569 1.00 0.00 S ATOM 766 CE MET A 49 38.764 32.123 36.329 1.00 0.00 C ATOM 0 H MET A 49 40.033 35.081 32.253 1.00 0.00 H new ATOM 0 HA MET A 49 38.669 34.886 34.776 1.00 0.00 H new ATOM 0 HB2 MET A 49 41.447 34.158 33.714 1.00 0.00 H new ATOM 0 HB3 MET A 49 40.951 33.829 35.362 1.00 0.00 H new ATOM 0 HG2 MET A 49 39.882 32.630 32.803 1.00 0.00 H new ATOM 0 HG3 MET A 49 40.658 31.812 34.144 1.00 0.00 H new ATOM 0 HE1 MET A 49 37.888 31.834 36.909 1.00 0.00 H new ATOM 0 HE2 MET A 49 39.559 31.394 36.486 1.00 0.00 H new ATOM 0 HE3 MET A 49 39.105 33.107 36.652 1.00 0.00 H new ATOM 776 N ALA A 50 40.390 37.477 34.441 1.00 0.00 N ATOM 777 CA ALA A 50 40.726 38.766 35.049 1.00 0.00 C ATOM 778 C ALA A 50 40.162 39.916 34.186 1.00 0.00 C ATOM 779 O ALA A 50 39.656 39.661 33.089 1.00 0.00 O ATOM 780 CB ALA A 50 42.249 38.849 35.224 1.00 0.00 C ATOM 0 H ALA A 50 40.346 37.531 33.423 1.00 0.00 H new ATOM 0 HA ALA A 50 40.270 38.860 36.035 1.00 0.00 H new ATOM 0 HB1 ALA A 50 42.512 39.805 35.676 1.00 0.00 H new ATOM 0 HB2 ALA A 50 42.586 38.038 35.869 1.00 0.00 H new ATOM 0 HB3 ALA A 50 42.732 38.763 34.251 1.00 0.00 H new ATOM 786 N THR A 51 40.240 41.167 34.660 1.00 0.00 N ATOM 787 CA THR A 51 39.796 42.376 33.935 1.00 0.00 C ATOM 788 C THR A 51 40.822 43.495 34.098 1.00 0.00 C ATOM 789 O THR A 51 41.625 43.468 35.032 1.00 0.00 O ATOM 790 CB THR A 51 38.379 42.779 34.387 1.00 0.00 C ATOM 791 OG1 THR A 51 37.792 43.621 33.419 1.00 0.00 O ATOM 792 CG2 THR A 51 38.331 43.490 35.742 1.00 0.00 C ATOM 0 H THR A 51 40.623 41.377 35.582 1.00 0.00 H new ATOM 0 HA THR A 51 39.733 42.165 32.868 1.00 0.00 H new ATOM 0 HB THR A 51 37.828 41.845 34.497 1.00 0.00 H new ATOM 0 HG1 THR A 51 36.891 43.874 33.709 1.00 0.00 H new ATOM 0 HG21 THR A 51 37.298 43.739 35.986 1.00 0.00 H new ATOM 0 HG22 THR A 51 38.737 42.834 36.512 1.00 0.00 H new ATOM 0 HG23 THR A 51 38.923 44.404 35.695 1.00 0.00 H new