USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 702 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 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 86:sc= 0.746 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -70:sc= 1.22 USER MOD Single : A 26 THR OG1 : rot 79:sc= 0.363 USER MOD Single : A 28 SER OG : rot -71:sc= 1.26 USER MOD Single : A 36 CYS SG : rot -26:sc= 0.0999 USER MOD Single : A 40 SER OG : rot 74:sc= 1.31 USER MOD Single : A 41 HIS : no HD1:sc= -0.0904 X(o=-0.09,f=-0.0076) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 52 MET CE :methyl 169:sc= 0 (180deg=-0.0927) USER MOD Single : A 59 GLN : amide:sc= -0.524 X(o=-0.52,f=-0.37) USER MOD Single : A 67 THR OG1 : rot -104:sc= 1.26 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 56:sc= 0.0401 USER MOD Single : A 75 SER OG : rot -28:sc= 0.851 USER MOD Single : A 89 GLN : amide:sc= -0.375 X(o=-0.38,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 56 N ASN A 5 11.102 7.926 -6.884 1.00 22.52 N ATOM 57 CA ASN A 5 10.773 9.167 -7.582 1.00 73.11 C ATOM 58 C ASN A 5 9.777 10.015 -6.805 1.00 10.31 C ATOM 59 O ASN A 5 10.001 11.201 -6.588 1.00 10.11 O ATOM 60 CB ASN A 5 10.191 8.867 -8.969 1.00 53.32 C ATOM 61 CG ASN A 5 11.194 8.225 -9.901 1.00 53.24 C ATOM 62 OD1 ASN A 5 11.331 7.004 -9.933 1.00 40.34 O ATOM 63 ND2 ASN A 5 11.896 9.043 -10.668 1.00 4.12 N ATOM 0 HA ASN A 5 11.703 9.727 -7.679 1.00 73.11 H new ATOM 0 HB2 ASN A 5 9.329 8.208 -8.861 1.00 53.32 H new ATOM 0 HB3 ASN A 5 9.830 9.794 -9.414 1.00 53.32 H new ATOM 0 HD21 ASN A 5 12.584 8.666 -11.320 1.00 4.12 H new ATOM 0 HD22 ASN A 5 11.749 10.051 -10.608 1.00 4.12 H new ATOM 70 N ARG A 6 8.696 9.398 -6.352 1.00 70.34 N ATOM 71 CA ARG A 6 7.621 10.142 -5.712 1.00 45.50 C ATOM 72 C ARG A 6 8.049 10.636 -4.338 1.00 22.34 C ATOM 73 O ARG A 6 7.732 11.760 -3.950 1.00 1.32 O ATOM 74 CB ARG A 6 6.356 9.289 -5.602 1.00 34.52 C ATOM 75 CG ARG A 6 5.960 8.629 -6.913 1.00 35.22 C ATOM 76 CD ARG A 6 4.489 8.248 -6.929 1.00 55.24 C ATOM 77 NE ARG A 6 3.627 9.421 -7.085 1.00 65.22 N ATOM 78 CZ ARG A 6 2.352 9.365 -7.464 1.00 12.53 C ATOM 79 NH1 ARG A 6 1.774 8.194 -7.711 1.00 43.31 N ATOM 80 NH2 ARG A 6 1.655 10.483 -7.610 1.00 11.12 N ATOM 0 H ARG A 6 8.540 8.392 -6.415 1.00 70.34 H new ATOM 0 HA ARG A 6 7.397 11.008 -6.335 1.00 45.50 H new ATOM 0 HB2 ARG A 6 6.511 8.518 -4.847 1.00 34.52 H new ATOM 0 HB3 ARG A 6 5.533 9.914 -5.255 1.00 34.52 H new ATOM 0 HG2 ARG A 6 6.169 9.308 -7.740 1.00 35.22 H new ATOM 0 HG3 ARG A 6 6.568 7.738 -7.070 1.00 35.22 H new ATOM 0 HD2 ARG A 6 4.303 7.549 -7.744 1.00 55.24 H new ATOM 0 HD3 ARG A 6 4.237 7.732 -6.003 1.00 55.24 H new ATOM 0 HE ARG A 6 4.028 10.338 -6.891 1.00 65.22 H new ATOM 0 HH11 ARG A 6 2.308 7.331 -7.611 1.00 43.31 H new ATOM 0 HH12 ARG A 6 0.797 8.159 -8.001 1.00 43.31 H new ATOM 0 HH21 ARG A 6 2.096 11.386 -7.432 1.00 11.12 H new ATOM 0 HH22 ARG A 6 0.678 10.441 -7.900 1.00 11.12 H new ATOM 94 N PHE A 7 8.791 9.805 -3.617 1.00 61.03 N ATOM 95 CA PHE A 7 9.261 10.166 -2.285 1.00 54.10 C ATOM 96 C PHE A 7 10.257 11.319 -2.361 1.00 14.21 C ATOM 97 O PHE A 7 10.112 12.326 -1.670 1.00 1.24 O ATOM 98 CB PHE A 7 9.901 8.954 -1.598 1.00 72.25 C ATOM 99 CG PHE A 7 10.375 9.231 -0.197 1.00 31.43 C ATOM 100 CD1 PHE A 7 9.469 9.326 0.849 1.00 52.24 C ATOM 101 CD2 PHE A 7 11.724 9.399 0.074 1.00 4.00 C ATOM 102 CE1 PHE A 7 9.901 9.580 2.137 1.00 13.43 C ATOM 103 CE2 PHE A 7 12.161 9.656 1.359 1.00 61.21 C ATOM 104 CZ PHE A 7 11.248 9.746 2.392 1.00 73.30 C ATOM 0 H PHE A 7 9.080 8.879 -3.931 1.00 61.03 H new ATOM 0 HA PHE A 7 8.404 10.490 -1.694 1.00 54.10 H new ATOM 0 HB2 PHE A 7 9.178 8.139 -1.573 1.00 72.25 H new ATOM 0 HB3 PHE A 7 10.746 8.613 -2.197 1.00 72.25 H new ATOM 0 HD1 PHE A 7 8.414 9.200 0.655 1.00 52.24 H new ATOM 0 HD2 PHE A 7 12.442 9.328 -0.729 1.00 4.00 H new ATOM 0 HE1 PHE A 7 9.186 9.649 2.943 1.00 13.43 H new ATOM 0 HE2 PHE A 7 13.215 9.786 1.556 1.00 61.21 H new ATOM 0 HZ PHE A 7 11.587 9.946 3.398 1.00 73.30 H new ATOM 114 N LEU A 8 11.255 11.175 -3.226 1.00 52.30 N ATOM 115 CA LEU A 8 12.296 12.184 -3.368 1.00 12.42 C ATOM 116 C LEU A 8 11.717 13.508 -3.855 1.00 4.34 C ATOM 117 O LEU A 8 12.056 14.568 -3.331 1.00 54.30 O ATOM 118 CB LEU A 8 13.389 11.700 -4.323 1.00 73.45 C ATOM 119 CG LEU A 8 14.165 10.468 -3.848 1.00 4.01 C ATOM 120 CD1 LEU A 8 15.188 10.050 -4.890 1.00 63.33 C ATOM 121 CD2 LEU A 8 14.843 10.746 -2.514 1.00 0.01 C ATOM 0 H LEU A 8 11.364 10.368 -3.840 1.00 52.30 H new ATOM 0 HA LEU A 8 12.737 12.348 -2.385 1.00 12.42 H new ATOM 0 HB2 LEU A 8 12.934 11.474 -5.287 1.00 73.45 H new ATOM 0 HB3 LEU A 8 14.095 12.515 -4.486 1.00 73.45 H new ATOM 0 HG LEU A 8 13.460 9.648 -3.710 1.00 4.01 H new ATOM 0 HD11 LEU A 8 15.730 9.173 -4.536 1.00 63.33 H new ATOM 0 HD12 LEU A 8 14.679 9.810 -5.824 1.00 63.33 H new ATOM 0 HD13 LEU A 8 15.890 10.867 -5.059 1.00 63.33 H new ATOM 0 HD21 LEU A 8 15.390 9.860 -2.192 1.00 0.01 H new ATOM 0 HD22 LEU A 8 15.536 11.580 -2.625 1.00 0.01 H new ATOM 0 HD23 LEU A 8 14.089 10.998 -1.768 1.00 0.01 H new ATOM 133 N THR A 9 10.837 13.448 -4.847 1.00 50.43 N ATOM 134 CA THR A 9 10.210 14.651 -5.377 1.00 11.00 C ATOM 135 C THR A 9 9.317 15.317 -4.324 1.00 63.12 C ATOM 136 O THR A 9 9.227 16.544 -4.264 1.00 22.31 O ATOM 137 CB THR A 9 9.405 14.338 -6.657 1.00 3.51 C ATOM 138 OG1 THR A 9 10.287 13.803 -7.654 1.00 24.21 O ATOM 139 CG2 THR A 9 8.721 15.583 -7.206 1.00 32.31 C ATOM 0 H THR A 9 10.543 12.582 -5.299 1.00 50.43 H new ATOM 0 HA THR A 9 11.003 15.351 -5.638 1.00 11.00 H new ATOM 0 HB THR A 9 8.634 13.611 -6.403 1.00 3.51 H new ATOM 0 HG1 THR A 9 10.373 12.835 -7.529 1.00 24.21 H new ATOM 0 HG21 THR A 9 8.164 15.325 -8.107 1.00 32.31 H new ATOM 0 HG22 THR A 9 8.036 15.982 -6.458 1.00 32.31 H new ATOM 0 HG23 THR A 9 9.473 16.335 -7.447 1.00 32.31 H new ATOM 147 N SER A 10 8.683 14.506 -3.482 1.00 65.42 N ATOM 148 CA SER A 10 7.886 15.028 -2.379 1.00 14.20 C ATOM 149 C SER A 10 8.785 15.796 -1.412 1.00 60.34 C ATOM 150 O SER A 10 8.447 16.900 -0.975 1.00 33.45 O ATOM 151 CB SER A 10 7.160 13.885 -1.656 1.00 14.00 C ATOM 152 OG SER A 10 6.305 14.371 -0.630 1.00 11.13 O ATOM 0 H SER A 10 8.706 13.488 -3.543 1.00 65.42 H new ATOM 0 HA SER A 10 7.133 15.710 -2.774 1.00 14.20 H new ATOM 0 HB2 SER A 10 6.575 13.312 -2.376 1.00 14.00 H new ATOM 0 HB3 SER A 10 7.893 13.203 -1.226 1.00 14.00 H new ATOM 0 HG SER A 10 5.858 13.617 -0.192 1.00 11.13 H new ATOM 158 N ILE A 11 9.944 15.217 -1.105 1.00 41.21 N ATOM 159 CA ILE A 11 10.929 15.875 -0.253 1.00 43.24 C ATOM 160 C ILE A 11 11.389 17.188 -0.885 1.00 34.21 C ATOM 161 O ILE A 11 11.443 18.217 -0.219 1.00 51.11 O ATOM 162 CB ILE A 11 12.153 14.964 0.008 1.00 63.44 C ATOM 163 CG1 ILE A 11 11.722 13.670 0.706 1.00 0.25 C ATOM 164 CG2 ILE A 11 13.206 15.692 0.837 1.00 53.04 C ATOM 165 CD1 ILE A 11 11.038 13.891 2.041 1.00 53.14 C ATOM 0 H ILE A 11 10.223 14.293 -1.434 1.00 41.21 H new ATOM 0 HA ILE A 11 10.448 16.083 0.703 1.00 43.24 H new ATOM 0 HB ILE A 11 12.595 14.708 -0.955 1.00 63.44 H new ATOM 0 HG12 ILE A 11 11.047 13.122 0.049 1.00 0.25 H new ATOM 0 HG13 ILE A 11 12.599 13.041 0.858 1.00 0.25 H new ATOM 0 HG21 ILE A 11 14.056 15.031 1.007 1.00 53.04 H new ATOM 0 HG22 ILE A 11 13.539 16.581 0.302 1.00 53.04 H new ATOM 0 HG23 ILE A 11 12.776 15.984 1.795 1.00 53.04 H new ATOM 0 HD11 ILE A 11 10.763 12.929 2.473 1.00 53.14 H new ATOM 0 HD12 ILE A 11 11.718 14.411 2.716 1.00 53.14 H new ATOM 0 HD13 ILE A 11 10.141 14.493 1.895 1.00 53.14 H new ATOM 177 N VAL A 12 11.705 17.140 -2.177 1.00 21.55 N ATOM 178 CA VAL A 12 12.106 18.331 -2.928 1.00 14.34 C ATOM 179 C VAL A 12 11.060 19.440 -2.806 1.00 13.44 C ATOM 180 O VAL A 12 11.394 20.596 -2.535 1.00 43.23 O ATOM 181 CB VAL A 12 12.335 18.002 -4.424 1.00 35.21 C ATOM 182 CG1 VAL A 12 12.595 19.265 -5.233 1.00 52.52 C ATOM 183 CG2 VAL A 12 13.491 17.027 -4.590 1.00 24.24 C ATOM 0 H VAL A 12 11.691 16.283 -2.730 1.00 21.55 H new ATOM 0 HA VAL A 12 13.044 18.679 -2.496 1.00 14.34 H new ATOM 0 HB VAL A 12 11.425 17.536 -4.802 1.00 35.21 H new ATOM 0 HG11 VAL A 12 12.752 19.001 -6.279 1.00 52.52 H new ATOM 0 HG12 VAL A 12 11.737 19.932 -5.152 1.00 52.52 H new ATOM 0 HG13 VAL A 12 13.483 19.767 -4.848 1.00 52.52 H new ATOM 0 HG21 VAL A 12 13.634 16.810 -5.648 1.00 24.24 H new ATOM 0 HG22 VAL A 12 14.401 17.469 -4.184 1.00 24.24 H new ATOM 0 HG23 VAL A 12 13.267 16.103 -4.057 1.00 24.24 H new ATOM 193 N ALA A 13 9.794 19.082 -2.998 1.00 44.22 N ATOM 194 CA ALA A 13 8.700 20.039 -2.893 1.00 63.42 C ATOM 195 C ALA A 13 8.622 20.625 -1.485 1.00 5.15 C ATOM 196 O ALA A 13 8.429 21.827 -1.309 1.00 60.31 O ATOM 197 CB ALA A 13 7.383 19.377 -3.267 1.00 50.45 C ATOM 0 H ALA A 13 9.501 18.132 -3.228 1.00 44.22 H new ATOM 0 HA ALA A 13 8.892 20.855 -3.589 1.00 63.42 H new ATOM 0 HB1 ALA A 13 6.574 20.103 -3.184 1.00 50.45 H new ATOM 0 HB2 ALA A 13 7.438 19.011 -4.292 1.00 50.45 H new ATOM 0 HB3 ALA A 13 7.191 18.542 -2.593 1.00 50.45 H new ATOM 203 N TRP A 14 8.782 19.762 -0.494 1.00 34.42 N ATOM 204 CA TRP A 14 8.786 20.174 0.905 1.00 42.25 C ATOM 205 C TRP A 14 9.948 21.129 1.186 1.00 70.10 C ATOM 206 O TRP A 14 9.753 22.206 1.759 1.00 3.04 O ATOM 207 CB TRP A 14 8.866 18.921 1.789 1.00 32.24 C ATOM 208 CG TRP A 14 9.184 19.183 3.231 1.00 61.43 C ATOM 209 CD1 TRP A 14 8.539 20.032 4.082 1.00 2.33 C ATOM 210 CD2 TRP A 14 10.221 18.561 3.992 1.00 1.21 C ATOM 211 NE1 TRP A 14 9.121 19.982 5.326 1.00 52.34 N ATOM 212 CE2 TRP A 14 10.157 19.085 5.295 1.00 5.51 C ATOM 213 CE3 TRP A 14 11.202 17.614 3.691 1.00 11.11 C ATOM 214 CZ2 TRP A 14 11.040 18.689 6.298 1.00 42.32 C ATOM 215 CZ3 TRP A 14 12.072 17.220 4.686 1.00 1.43 C ATOM 216 CH2 TRP A 14 11.990 17.756 5.974 1.00 73.14 C ATOM 0 H TRP A 14 8.912 18.760 -0.633 1.00 34.42 H new ATOM 0 HA TRP A 14 7.866 20.713 1.132 1.00 42.25 H new ATOM 0 HB2 TRP A 14 7.914 18.393 1.732 1.00 32.24 H new ATOM 0 HB3 TRP A 14 9.625 18.254 1.380 1.00 32.24 H new ATOM 0 HD1 TRP A 14 7.695 20.652 3.817 1.00 2.33 H new ATOM 0 HE1 TRP A 14 8.830 20.524 6.140 1.00 52.34 H new ATOM 0 HE3 TRP A 14 11.278 17.198 2.697 1.00 11.11 H new ATOM 0 HZ2 TRP A 14 10.978 19.102 7.294 1.00 42.32 H new ATOM 0 HZ3 TRP A 14 12.831 16.484 4.466 1.00 1.43 H new ATOM 0 HH2 TRP A 14 12.689 17.428 6.729 1.00 73.14 H new ATOM 227 N LEU A 15 11.141 20.747 0.748 1.00 2.10 N ATOM 228 CA LEU A 15 12.341 21.545 0.979 1.00 34.45 C ATOM 229 C LEU A 15 12.220 22.925 0.347 1.00 0.13 C ATOM 230 O LEU A 15 12.527 23.932 0.981 1.00 34.54 O ATOM 231 CB LEU A 15 13.580 20.834 0.432 1.00 11.03 C ATOM 232 CG LEU A 15 13.883 19.476 1.059 1.00 31.04 C ATOM 233 CD1 LEU A 15 15.201 18.932 0.530 1.00 61.44 C ATOM 234 CD2 LEU A 15 13.913 19.585 2.577 1.00 64.45 C ATOM 0 H LEU A 15 11.305 19.885 0.228 1.00 2.10 H new ATOM 0 HA LEU A 15 12.447 21.667 2.057 1.00 34.45 H new ATOM 0 HB2 LEU A 15 13.457 20.700 -0.643 1.00 11.03 H new ATOM 0 HB3 LEU A 15 14.444 21.483 0.576 1.00 11.03 H new ATOM 0 HG LEU A 15 13.090 18.780 0.784 1.00 31.04 H new ATOM 0 HD11 LEU A 15 15.404 17.963 0.986 1.00 61.44 H new ATOM 0 HD12 LEU A 15 15.139 18.818 -0.552 1.00 61.44 H new ATOM 0 HD13 LEU A 15 16.006 19.625 0.777 1.00 61.44 H new ATOM 0 HD21 LEU A 15 14.130 18.608 3.008 1.00 64.45 H new ATOM 0 HD22 LEU A 15 14.686 20.293 2.876 1.00 64.45 H new ATOM 0 HD23 LEU A 15 12.944 19.932 2.936 1.00 64.45 H new ATOM 246 N ARG A 16 11.765 22.970 -0.901 1.00 2.41 N ATOM 247 CA ARG A 16 11.636 24.240 -1.602 1.00 31.15 C ATOM 248 C ARG A 16 10.529 25.085 -0.976 1.00 5.31 C ATOM 249 O ARG A 16 10.656 26.300 -0.870 1.00 11.03 O ATOM 250 CB ARG A 16 11.378 24.028 -3.100 1.00 12.41 C ATOM 251 CG ARG A 16 9.996 23.493 -3.434 1.00 75.42 C ATOM 252 CD ARG A 16 9.811 23.315 -4.931 1.00 13.34 C ATOM 253 NE ARG A 16 10.050 24.555 -5.673 1.00 41.44 N ATOM 254 CZ ARG A 16 9.223 25.038 -6.604 1.00 71.15 C ATOM 255 NH1 ARG A 16 8.049 24.457 -6.819 1.00 44.40 N ATOM 256 NH2 ARG A 16 9.556 26.126 -7.288 1.00 61.31 N ATOM 0 H ARG A 16 11.483 22.152 -1.441 1.00 2.41 H new ATOM 0 HA ARG A 16 12.580 24.776 -1.503 1.00 31.15 H new ATOM 0 HB2 ARG A 16 11.521 24.976 -3.618 1.00 12.41 H new ATOM 0 HB3 ARG A 16 12.125 23.336 -3.490 1.00 12.41 H new ATOM 0 HG2 ARG A 16 9.844 22.537 -2.932 1.00 75.42 H new ATOM 0 HG3 ARG A 16 9.238 24.177 -3.052 1.00 75.42 H new ATOM 0 HD2 ARG A 16 10.492 22.543 -5.290 1.00 13.34 H new ATOM 0 HD3 ARG A 16 8.798 22.965 -5.130 1.00 13.34 H new ATOM 0 HE ARG A 16 10.899 25.081 -5.466 1.00 41.44 H new ATOM 0 HH11 ARG A 16 7.777 23.640 -6.273 1.00 44.40 H new ATOM 0 HH12 ARG A 16 7.419 24.828 -7.531 1.00 44.40 H new ATOM 0 HH21 ARG A 16 10.444 26.593 -7.103 1.00 61.31 H new ATOM 0 HH22 ARG A 16 8.924 26.495 -7.999 1.00 61.31 H new ATOM 270 N ALA A 17 9.454 24.433 -0.538 1.00 2.12 N ATOM 271 CA ALA A 17 8.363 25.132 0.133 1.00 33.54 C ATOM 272 C ALA A 17 8.850 25.723 1.449 1.00 24.54 C ATOM 273 O ALA A 17 8.352 26.753 1.908 1.00 1.33 O ATOM 274 CB ALA A 17 7.193 24.191 0.372 1.00 34.13 C ATOM 0 H ALA A 17 9.316 23.427 -0.635 1.00 2.12 H new ATOM 0 HA ALA A 17 8.022 25.944 -0.509 1.00 33.54 H new ATOM 0 HB1 ALA A 17 6.389 24.730 0.873 1.00 34.13 H new ATOM 0 HB2 ALA A 17 6.833 23.808 -0.583 1.00 34.13 H new ATOM 0 HB3 ALA A 17 7.517 23.359 0.997 1.00 34.13 H new ATOM 280 N GLY A 18 9.825 25.053 2.052 1.00 51.14 N ATOM 281 CA GLY A 18 10.454 25.566 3.247 1.00 30.22 C ATOM 282 C GLY A 18 11.223 26.850 2.995 1.00 44.24 C ATOM 283 O GLY A 18 11.287 27.713 3.866 1.00 11.14 O ATOM 0 H GLY A 18 10.191 24.157 1.729 1.00 51.14 H new ATOM 0 HA2 GLY A 18 9.692 25.746 4.006 1.00 30.22 H new ATOM 0 HA3 GLY A 18 11.132 24.813 3.648 1.00 30.22 H new ATOM 287 N TYR A 19 11.791 26.991 1.800 1.00 34.05 N ATOM 288 CA TYR A 19 12.589 28.168 1.466 1.00 45.12 C ATOM 289 C TYR A 19 12.430 28.532 -0.008 1.00 10.22 C ATOM 290 O TYR A 19 13.288 28.215 -0.837 1.00 41.13 O ATOM 291 CB TYR A 19 14.073 27.947 1.799 1.00 74.13 C ATOM 292 CG TYR A 19 14.395 28.090 3.272 1.00 10.41 C ATOM 293 CD1 TYR A 19 14.616 29.341 3.826 1.00 25.43 C ATOM 294 CD2 TYR A 19 14.465 26.981 4.109 1.00 61.34 C ATOM 295 CE1 TYR A 19 14.903 29.491 5.167 1.00 22.44 C ATOM 296 CE2 TYR A 19 14.745 27.122 5.457 1.00 73.24 C ATOM 297 CZ TYR A 19 14.966 28.382 5.979 1.00 34.14 C ATOM 298 OH TYR A 19 15.228 28.539 7.323 1.00 52.11 O ATOM 0 H TYR A 19 11.714 26.306 1.048 1.00 34.05 H new ATOM 0 HA TYR A 19 12.222 28.996 2.072 1.00 45.12 H new ATOM 0 HB2 TYR A 19 14.366 26.951 1.467 1.00 74.13 H new ATOM 0 HB3 TYR A 19 14.673 28.660 1.234 1.00 74.13 H new ATOM 0 HD1 TYR A 19 14.562 30.216 3.195 1.00 25.43 H new ATOM 0 HD2 TYR A 19 14.298 25.995 3.701 1.00 61.34 H new ATOM 0 HE1 TYR A 19 15.077 30.475 5.578 1.00 22.44 H new ATOM 0 HE2 TYR A 19 14.790 26.253 6.097 1.00 73.24 H new ATOM 0 HH TYR A 19 16.160 28.817 7.444 1.00 52.11 H new ATOM 308 N PRO A 20 11.314 29.198 -0.355 1.00 2.25 N ATOM 309 CA PRO A 20 11.005 29.558 -1.743 1.00 33.00 C ATOM 310 C PRO A 20 11.932 30.641 -2.285 1.00 63.40 C ATOM 311 O PRO A 20 12.062 30.814 -3.499 1.00 22.41 O ATOM 312 CB PRO A 20 9.566 30.074 -1.666 1.00 62.04 C ATOM 313 CG PRO A 20 9.405 30.548 -0.263 1.00 43.04 C ATOM 314 CD PRO A 20 10.266 29.650 0.580 1.00 11.52 C ATOM 0 HA PRO A 20 11.133 28.713 -2.419 1.00 33.00 H new ATOM 0 HB2 PRO A 20 9.397 30.882 -2.378 1.00 62.04 H new ATOM 0 HB3 PRO A 20 8.850 29.286 -1.902 1.00 62.04 H new ATOM 0 HG2 PRO A 20 9.714 31.589 -0.165 1.00 43.04 H new ATOM 0 HG3 PRO A 20 8.362 30.494 0.050 1.00 43.04 H new ATOM 0 HD2 PRO A 20 10.690 30.184 1.430 1.00 11.52 H new ATOM 0 HD3 PRO A 20 9.698 28.811 0.982 1.00 11.52 H new ATOM 322 N GLU A 21 12.584 31.359 -1.382 1.00 2.11 N ATOM 323 CA GLU A 21 13.485 32.427 -1.771 1.00 73.24 C ATOM 324 C GLU A 21 14.924 31.932 -1.838 1.00 20.44 C ATOM 325 O GLU A 21 15.852 32.706 -2.075 1.00 40.30 O ATOM 326 CB GLU A 21 13.356 33.603 -0.844 1.00 43.24 C ATOM 327 CG GLU A 21 13.872 33.353 0.525 1.00 22.23 C ATOM 328 CD GLU A 21 12.904 32.603 1.420 1.00 20.12 C ATOM 329 OE1 GLU A 21 12.005 33.243 2.005 1.00 51.00 O ATOM 330 OE2 GLU A 21 13.042 31.373 1.543 1.00 52.40 O ATOM 0 H GLU A 21 12.504 31.219 -0.375 1.00 2.11 H new ATOM 0 HA GLU A 21 13.203 32.758 -2.770 1.00 73.24 H new ATOM 0 HB2 GLU A 21 13.890 34.451 -1.273 1.00 43.24 H new ATOM 0 HB3 GLU A 21 12.306 33.888 -0.779 1.00 43.24 H new ATOM 0 HG2 GLU A 21 14.800 32.786 0.455 1.00 22.23 H new ATOM 0 HG3 GLU A 21 14.116 34.308 0.990 1.00 22.23 H new ATOM 337 N GLY A 22 15.097 30.629 -1.645 1.00 34.52 N ATOM 338 CA GLY A 22 16.415 30.034 -1.720 1.00 33.44 C ATOM 339 C GLY A 22 16.985 29.743 -0.350 1.00 53.53 C ATOM 340 O GLY A 22 16.929 30.589 0.539 1.00 11.30 O ATOM 0 H GLY A 22 14.344 29.973 -1.437 1.00 34.52 H new ATOM 0 HA2 GLY A 22 16.363 29.109 -2.295 1.00 33.44 H new ATOM 0 HA3 GLY A 22 17.086 30.705 -2.256 1.00 33.44 H new ATOM 344 N ILE A 23 17.521 28.543 -0.174 1.00 21.02 N ATOM 345 CA ILE A 23 18.106 28.147 1.100 1.00 2.44 C ATOM 346 C ILE A 23 19.453 28.835 1.307 1.00 35.10 C ATOM 347 O ILE A 23 20.393 28.616 0.542 1.00 4.14 O ATOM 348 CB ILE A 23 18.294 26.617 1.185 1.00 73.03 C ATOM 349 CG1 ILE A 23 16.960 25.906 0.943 1.00 44.05 C ATOM 350 CG2 ILE A 23 18.871 26.225 2.541 1.00 11.14 C ATOM 351 CD1 ILE A 23 17.076 24.399 0.887 1.00 33.31 C ATOM 0 H ILE A 23 17.563 27.826 -0.898 1.00 21.02 H new ATOM 0 HA ILE A 23 17.415 28.455 1.885 1.00 2.44 H new ATOM 0 HB ILE A 23 18.997 26.309 0.411 1.00 73.03 H new ATOM 0 HG12 ILE A 23 16.264 26.179 1.736 1.00 44.05 H new ATOM 0 HG13 ILE A 23 16.532 26.264 0.006 1.00 44.05 H new ATOM 0 HG21 ILE A 23 18.997 25.143 2.584 1.00 11.14 H new ATOM 0 HG22 ILE A 23 19.838 26.709 2.679 1.00 11.14 H new ATOM 0 HG23 ILE A 23 18.191 26.543 3.331 1.00 11.14 H new ATOM 0 HD11 ILE A 23 16.092 23.965 0.713 1.00 33.31 H new ATOM 0 HD12 ILE A 23 17.746 24.116 0.076 1.00 33.31 H new ATOM 0 HD13 ILE A 23 17.474 24.029 1.832 1.00 33.31 H new ATOM 363 N PRO A 24 19.548 29.692 2.337 1.00 3.32 N ATOM 364 CA PRO A 24 20.777 30.424 2.646 1.00 71.45 C ATOM 365 C PRO A 24 21.904 29.509 3.140 1.00 31.25 C ATOM 366 O PRO A 24 21.649 28.409 3.638 1.00 10.15 O ATOM 367 CB PRO A 24 20.359 31.414 3.740 1.00 34.22 C ATOM 368 CG PRO A 24 19.077 30.901 4.302 1.00 32.44 C ATOM 369 CD PRO A 24 18.449 30.015 3.263 1.00 74.45 C ATOM 0 HA PRO A 24 21.183 30.910 1.759 1.00 71.45 H new ATOM 0 HB2 PRO A 24 21.123 31.483 4.514 1.00 34.22 H new ATOM 0 HB3 PRO A 24 20.230 32.415 3.329 1.00 34.22 H new ATOM 0 HG2 PRO A 24 19.257 30.345 5.222 1.00 32.44 H new ATOM 0 HG3 PRO A 24 18.412 31.727 4.554 1.00 32.44 H new ATOM 0 HD2 PRO A 24 18.030 29.114 3.711 1.00 74.45 H new ATOM 0 HD3 PRO A 24 17.634 30.524 2.749 1.00 74.45 H new ATOM 377 N PRO A 25 23.165 29.967 3.001 1.00 35.02 N ATOM 378 CA PRO A 25 24.363 29.188 3.361 1.00 12.04 C ATOM 379 C PRO A 25 24.306 28.571 4.757 1.00 11.40 C ATOM 380 O PRO A 25 24.773 27.453 4.961 1.00 22.20 O ATOM 381 CB PRO A 25 25.486 30.222 3.290 1.00 2.20 C ATOM 382 CG PRO A 25 25.015 31.221 2.294 1.00 24.32 C ATOM 383 CD PRO A 25 23.523 31.292 2.454 1.00 72.20 C ATOM 0 HA PRO A 25 24.486 28.333 2.696 1.00 12.04 H new ATOM 0 HB2 PRO A 25 25.662 30.684 4.262 1.00 2.20 H new ATOM 0 HB3 PRO A 25 26.426 29.766 2.979 1.00 2.20 H new ATOM 0 HG2 PRO A 25 25.473 32.194 2.470 1.00 24.32 H new ATOM 0 HG3 PRO A 25 25.285 30.920 1.282 1.00 24.32 H new ATOM 0 HD2 PRO A 25 23.231 32.096 3.129 1.00 72.20 H new ATOM 0 HD3 PRO A 25 23.027 31.479 1.502 1.00 72.20 H new ATOM 391 N THR A 26 23.739 29.294 5.711 1.00 51.12 N ATOM 392 CA THR A 26 23.674 28.826 7.090 1.00 71.04 C ATOM 393 C THR A 26 22.769 27.609 7.230 1.00 51.20 C ATOM 394 O THR A 26 23.173 26.575 7.768 1.00 74.44 O ATOM 395 CB THR A 26 23.162 29.941 8.018 1.00 21.22 C ATOM 396 OG1 THR A 26 22.074 30.640 7.390 1.00 52.23 O ATOM 397 CG2 THR A 26 24.277 30.918 8.354 1.00 51.12 C ATOM 0 H THR A 26 23.316 30.209 5.556 1.00 51.12 H new ATOM 0 HA THR A 26 24.686 28.543 7.378 1.00 71.04 H new ATOM 0 HB THR A 26 22.812 29.484 8.944 1.00 21.22 H new ATOM 0 HG1 THR A 26 21.251 30.116 7.484 1.00 52.23 H new ATOM 0 HG21 THR A 26 23.892 31.698 9.011 1.00 51.12 H new ATOM 0 HG22 THR A 26 25.086 30.388 8.856 1.00 51.12 H new ATOM 0 HG23 THR A 26 24.653 31.370 7.436 1.00 51.12 H new ATOM 405 N ASP A 27 21.566 27.729 6.687 1.00 40.23 N ATOM 406 CA ASP A 27 20.508 26.753 6.909 1.00 64.21 C ATOM 407 C ASP A 27 20.816 25.410 6.264 1.00 23.45 C ATOM 408 O ASP A 27 20.185 24.410 6.589 1.00 13.20 O ATOM 409 CB ASP A 27 19.176 27.293 6.385 1.00 62.14 C ATOM 410 CG ASP A 27 18.696 28.490 7.177 1.00 1.21 C ATOM 411 OD1 ASP A 27 19.286 29.583 7.031 1.00 12.42 O ATOM 412 OD2 ASP A 27 17.732 28.344 7.957 1.00 22.33 O ATOM 0 H ASP A 27 21.296 28.504 6.081 1.00 40.23 H new ATOM 0 HA ASP A 27 20.440 26.589 7.984 1.00 64.21 H new ATOM 0 HB2 ASP A 27 19.286 27.572 5.337 1.00 62.14 H new ATOM 0 HB3 ASP A 27 18.424 26.505 6.428 1.00 62.14 H new ATOM 417 N SER A 28 21.790 25.382 5.361 1.00 54.23 N ATOM 418 CA SER A 28 22.170 24.142 4.696 1.00 53.34 C ATOM 419 C SER A 28 22.617 23.100 5.721 1.00 42.43 C ATOM 420 O SER A 28 22.259 21.921 5.628 1.00 42.13 O ATOM 421 CB SER A 28 23.288 24.402 3.686 1.00 4.45 C ATOM 422 OG SER A 28 24.448 24.910 4.320 1.00 12.42 O ATOM 0 H SER A 28 22.328 26.200 5.074 1.00 54.23 H new ATOM 0 HA SER A 28 21.300 23.755 4.165 1.00 53.34 H new ATOM 0 HB2 SER A 28 23.532 23.476 3.165 1.00 4.45 H new ATOM 0 HB3 SER A 28 22.943 25.111 2.933 1.00 4.45 H new ATOM 0 HG SER A 28 24.283 25.829 4.617 1.00 12.42 H new ATOM 428 N PHE A 29 23.377 23.555 6.710 1.00 42.55 N ATOM 429 CA PHE A 29 23.857 22.694 7.780 1.00 4.12 C ATOM 430 C PHE A 29 22.677 22.126 8.566 1.00 35.43 C ATOM 431 O PHE A 29 22.624 20.931 8.873 1.00 12.15 O ATOM 432 CB PHE A 29 24.784 23.478 8.722 1.00 33.34 C ATOM 433 CG PHE A 29 26.091 23.919 8.108 1.00 34.33 C ATOM 434 CD1 PHE A 29 26.124 24.833 7.066 1.00 60.53 C ATOM 435 CD2 PHE A 29 27.293 23.431 8.596 1.00 24.54 C ATOM 436 CE1 PHE A 29 27.324 25.250 6.526 1.00 42.44 C ATOM 437 CE2 PHE A 29 28.497 23.842 8.055 1.00 25.20 C ATOM 438 CZ PHE A 29 28.512 24.753 7.019 1.00 14.20 C ATOM 0 H PHE A 29 23.676 24.527 6.791 1.00 42.55 H new ATOM 0 HA PHE A 29 24.419 21.871 7.338 1.00 4.12 H new ATOM 0 HB2 PHE A 29 24.252 24.359 9.080 1.00 33.34 H new ATOM 0 HB3 PHE A 29 24.999 22.860 9.593 1.00 33.34 H new ATOM 0 HD1 PHE A 29 25.198 25.224 6.671 1.00 60.53 H new ATOM 0 HD2 PHE A 29 27.289 22.721 9.409 1.00 24.54 H new ATOM 0 HE1 PHE A 29 27.332 25.966 5.717 1.00 42.44 H new ATOM 0 HE2 PHE A 29 29.425 23.450 8.443 1.00 25.20 H new ATOM 0 HZ PHE A 29 29.451 25.076 6.595 1.00 14.20 H new ATOM 448 N ALA A 30 21.723 22.993 8.869 1.00 14.21 N ATOM 449 CA ALA A 30 20.540 22.602 9.616 1.00 35.22 C ATOM 450 C ALA A 30 19.668 21.648 8.807 1.00 13.34 C ATOM 451 O ALA A 30 19.157 20.660 9.338 1.00 31.42 O ATOM 452 CB ALA A 30 19.753 23.832 10.020 1.00 43.15 C ATOM 0 H ALA A 30 21.747 23.978 8.606 1.00 14.21 H new ATOM 0 HA ALA A 30 20.860 22.076 10.515 1.00 35.22 H new ATOM 0 HB1 ALA A 30 18.868 23.530 10.580 1.00 43.15 H new ATOM 0 HB2 ALA A 30 20.375 24.473 10.644 1.00 43.15 H new ATOM 0 HB3 ALA A 30 19.449 24.379 9.127 1.00 43.15 H new ATOM 458 N VAL A 31 19.507 21.945 7.518 1.00 22.11 N ATOM 459 CA VAL A 31 18.736 21.090 6.621 1.00 35.35 C ATOM 460 C VAL A 31 19.314 19.681 6.588 1.00 24.34 C ATOM 461 O VAL A 31 18.585 18.699 6.725 1.00 23.22 O ATOM 462 CB VAL A 31 18.688 21.652 5.179 1.00 1.31 C ATOM 463 CG1 VAL A 31 18.027 20.660 4.233 1.00 65.31 C ATOM 464 CG2 VAL A 31 17.950 22.980 5.138 1.00 4.31 C ATOM 0 H VAL A 31 19.902 22.773 7.072 1.00 22.11 H new ATOM 0 HA VAL A 31 17.719 21.062 7.013 1.00 35.35 H new ATOM 0 HB VAL A 31 19.715 21.815 4.852 1.00 1.31 H new ATOM 0 HG11 VAL A 31 18.005 21.077 3.226 1.00 65.31 H new ATOM 0 HG12 VAL A 31 18.594 19.729 4.228 1.00 65.31 H new ATOM 0 HG13 VAL A 31 17.008 20.463 4.567 1.00 65.31 H new ATOM 0 HG21 VAL A 31 17.930 23.354 4.114 1.00 4.31 H new ATOM 0 HG22 VAL A 31 16.929 22.840 5.493 1.00 4.31 H new ATOM 0 HG23 VAL A 31 18.461 23.700 5.777 1.00 4.31 H new ATOM 474 N LEU A 32 20.628 19.583 6.423 1.00 10.50 N ATOM 475 CA LEU A 32 21.281 18.285 6.357 1.00 25.41 C ATOM 476 C LEU A 32 21.162 17.569 7.698 1.00 40.04 C ATOM 477 O LEU A 32 20.956 16.360 7.742 1.00 73.03 O ATOM 478 CB LEU A 32 22.748 18.432 5.926 1.00 30.42 C ATOM 479 CG LEU A 32 23.742 18.804 7.027 1.00 42.24 C ATOM 480 CD1 LEU A 32 24.324 17.552 7.662 1.00 63.55 C ATOM 481 CD2 LEU A 32 24.842 19.685 6.471 1.00 45.32 C ATOM 0 H LEU A 32 21.257 20.381 6.333 1.00 10.50 H new ATOM 0 HA LEU A 32 20.780 17.678 5.603 1.00 25.41 H new ATOM 0 HB2 LEU A 32 23.069 17.492 5.478 1.00 30.42 H new ATOM 0 HB3 LEU A 32 22.801 19.191 5.146 1.00 30.42 H new ATOM 0 HG LEU A 32 23.213 19.364 7.798 1.00 42.24 H new ATOM 0 HD11 LEU A 32 25.029 17.835 8.443 1.00 63.55 H new ATOM 0 HD12 LEU A 32 23.521 16.957 8.096 1.00 63.55 H new ATOM 0 HD13 LEU A 32 24.840 16.965 6.902 1.00 63.55 H new ATOM 0 HD21 LEU A 32 25.541 19.941 7.267 1.00 45.32 H new ATOM 0 HD22 LEU A 32 25.371 19.152 5.681 1.00 45.32 H new ATOM 0 HD23 LEU A 32 24.406 20.597 6.064 1.00 45.32 H new ATOM 493 N ALA A 33 21.275 18.323 8.792 1.00 25.31 N ATOM 494 CA ALA A 33 21.121 17.754 10.127 1.00 12.22 C ATOM 495 C ALA A 33 19.726 17.161 10.303 1.00 4.10 C ATOM 496 O ALA A 33 19.552 16.138 10.967 1.00 40.14 O ATOM 497 CB ALA A 33 21.381 18.811 11.188 1.00 3.22 C ATOM 0 H ALA A 33 21.472 19.324 8.778 1.00 25.31 H new ATOM 0 HA ALA A 33 21.853 16.955 10.243 1.00 12.22 H new ATOM 0 HB1 ALA A 33 21.262 18.370 12.178 1.00 3.22 H new ATOM 0 HB2 ALA A 33 22.396 19.192 11.080 1.00 3.22 H new ATOM 0 HB3 ALA A 33 20.671 19.630 11.068 1.00 3.22 H new ATOM 503 N LEU A 34 18.737 17.827 9.729 1.00 53.14 N ATOM 504 CA LEU A 34 17.366 17.342 9.760 1.00 63.15 C ATOM 505 C LEU A 34 17.201 16.119 8.857 1.00 74.13 C ATOM 506 O LEU A 34 16.706 15.077 9.288 1.00 75.13 O ATOM 507 CB LEU A 34 16.408 18.453 9.329 1.00 2.44 C ATOM 508 CG LEU A 34 14.928 18.154 9.549 1.00 20.15 C ATOM 509 CD1 LEU A 34 14.652 17.925 11.028 1.00 40.53 C ATOM 510 CD2 LEU A 34 14.076 19.292 9.008 1.00 2.14 C ATOM 0 H LEU A 34 18.859 18.710 9.233 1.00 53.14 H new ATOM 0 HA LEU A 34 17.128 17.045 10.781 1.00 63.15 H new ATOM 0 HB2 LEU A 34 16.663 19.363 9.872 1.00 2.44 H new ATOM 0 HB3 LEU A 34 16.568 18.659 8.271 1.00 2.44 H new ATOM 0 HG LEU A 34 14.666 17.245 9.008 1.00 20.15 H new ATOM 0 HD11 LEU A 34 13.593 17.713 11.172 1.00 40.53 H new ATOM 0 HD12 LEU A 34 15.243 17.080 11.382 1.00 40.53 H new ATOM 0 HD13 LEU A 34 14.923 18.818 11.591 1.00 40.53 H new ATOM 0 HD21 LEU A 34 13.022 19.067 9.171 1.00 2.14 H new ATOM 0 HD22 LEU A 34 14.333 20.217 9.525 1.00 2.14 H new ATOM 0 HD23 LEU A 34 14.261 19.409 7.940 1.00 2.14 H new ATOM 522 N LEU A 35 17.639 16.253 7.609 1.00 33.13 N ATOM 523 CA LEU A 35 17.455 15.207 6.604 1.00 40.52 C ATOM 524 C LEU A 35 18.257 13.951 6.928 1.00 5.24 C ATOM 525 O LEU A 35 17.860 12.851 6.552 1.00 72.35 O ATOM 526 CB LEU A 35 17.847 15.719 5.217 1.00 55.52 C ATOM 527 CG LEU A 35 16.930 16.792 4.630 1.00 3.21 C ATOM 528 CD1 LEU A 35 17.419 17.209 3.252 1.00 51.22 C ATOM 529 CD2 LEU A 35 15.497 16.287 4.555 1.00 64.40 C ATOM 0 H LEU A 35 18.127 17.080 7.266 1.00 33.13 H new ATOM 0 HA LEU A 35 16.397 14.943 6.612 1.00 40.52 H new ATOM 0 HB2 LEU A 35 18.859 16.119 5.269 1.00 55.52 H new ATOM 0 HB3 LEU A 35 17.874 14.873 4.530 1.00 55.52 H new ATOM 0 HG LEU A 35 16.954 17.663 5.285 1.00 3.21 H new ATOM 0 HD11 LEU A 35 16.756 17.973 2.847 1.00 51.22 H new ATOM 0 HD12 LEU A 35 18.430 17.610 3.330 1.00 51.22 H new ATOM 0 HD13 LEU A 35 17.422 16.343 2.590 1.00 51.22 H new ATOM 0 HD21 LEU A 35 14.859 17.064 4.135 1.00 64.40 H new ATOM 0 HD22 LEU A 35 15.456 15.402 3.921 1.00 64.40 H new ATOM 0 HD23 LEU A 35 15.148 16.033 5.556 1.00 64.40 H new ATOM 541 N CYS A 36 19.371 14.117 7.633 1.00 33.14 N ATOM 542 CA CYS A 36 20.236 12.993 8.001 1.00 11.42 C ATOM 543 C CYS A 36 19.499 11.991 8.895 1.00 12.21 C ATOM 544 O CYS A 36 19.951 10.862 9.092 1.00 70.34 O ATOM 545 CB CYS A 36 21.497 13.501 8.710 1.00 4.50 C ATOM 546 SG CYS A 36 22.708 12.214 9.096 1.00 54.32 S ATOM 0 H CYS A 36 19.701 15.024 7.964 1.00 33.14 H new ATOM 0 HA CYS A 36 20.524 12.480 7.083 1.00 11.42 H new ATOM 0 HB2 CYS A 36 21.973 14.254 8.082 1.00 4.50 H new ATOM 0 HB3 CYS A 36 21.204 13.996 9.636 1.00 4.50 H new ATOM 0 HG CYS A 36 22.104 11.068 9.205 1.00 54.32 H new ATOM 552 N ARG A 37 18.364 12.411 9.435 1.00 51.20 N ATOM 553 CA ARG A 37 17.567 11.564 10.309 1.00 34.43 C ATOM 554 C ARG A 37 16.571 10.740 9.490 1.00 14.35 C ATOM 555 O ARG A 37 15.803 9.947 10.033 1.00 42.53 O ATOM 556 CB ARG A 37 16.843 12.431 11.338 1.00 32.30 C ATOM 557 CG ARG A 37 17.775 13.424 12.013 1.00 43.23 C ATOM 558 CD ARG A 37 17.034 14.397 12.911 1.00 5.05 C ATOM 559 NE ARG A 37 17.887 15.527 13.285 1.00 43.43 N ATOM 560 CZ ARG A 37 17.845 16.141 14.469 1.00 2.44 C ATOM 561 NH1 ARG A 37 17.021 15.713 15.416 1.00 61.42 N ATOM 562 NH2 ARG A 37 18.644 17.175 14.712 1.00 55.24 N ATOM 0 H ARG A 37 17.973 13.340 9.281 1.00 51.20 H new ATOM 0 HA ARG A 37 18.222 10.870 10.835 1.00 34.43 H new ATOM 0 HB2 ARG A 37 16.033 12.971 10.849 1.00 32.30 H new ATOM 0 HB3 ARG A 37 16.389 11.791 12.094 1.00 32.30 H new ATOM 0 HG2 ARG A 37 18.514 12.881 12.602 1.00 43.23 H new ATOM 0 HG3 ARG A 37 18.321 13.981 11.251 1.00 43.23 H new ATOM 0 HD2 ARG A 37 16.144 14.763 12.399 1.00 5.05 H new ATOM 0 HD3 ARG A 37 16.695 13.881 13.809 1.00 5.05 H new ATOM 0 HE ARG A 37 18.557 15.867 12.595 1.00 43.43 H new ATOM 0 HH11 ARG A 37 16.416 14.911 15.241 1.00 61.42 H new ATOM 0 HH12 ARG A 37 16.993 16.186 16.319 1.00 61.42 H new ATOM 0 HH21 ARG A 37 19.290 17.500 13.993 1.00 55.24 H new ATOM 0 HH22 ARG A 37 18.611 17.643 15.617 1.00 55.24 H new ATOM 576 N ARG A 38 16.596 10.944 8.178 1.00 2.53 N ATOM 577 CA ARG A 38 15.740 10.201 7.259 1.00 2.05 C ATOM 578 C ARG A 38 16.576 9.565 6.147 1.00 61.41 C ATOM 579 O ARG A 38 16.333 8.426 5.749 1.00 11.31 O ATOM 580 CB ARG A 38 14.664 11.123 6.661 1.00 23.14 C ATOM 581 CG ARG A 38 13.855 10.485 5.537 1.00 24.55 C ATOM 582 CD ARG A 38 13.134 9.218 5.987 1.00 5.44 C ATOM 583 NE ARG A 38 12.018 9.492 6.894 1.00 52.14 N ATOM 584 CZ ARG A 38 10.896 8.767 6.928 1.00 24.15 C ATOM 585 NH1 ARG A 38 10.778 7.682 6.169 1.00 53.54 N ATOM 586 NH2 ARG A 38 9.908 9.107 7.746 1.00 25.01 N ATOM 0 H ARG A 38 17.205 11.624 7.723 1.00 2.53 H new ATOM 0 HA ARG A 38 15.243 9.407 7.816 1.00 2.05 H new ATOM 0 HB2 ARG A 38 13.983 11.432 7.454 1.00 23.14 H new ATOM 0 HB3 ARG A 38 15.143 12.026 6.282 1.00 23.14 H new ATOM 0 HG2 ARG A 38 13.124 11.203 5.166 1.00 24.55 H new ATOM 0 HG3 ARG A 38 14.518 10.247 4.706 1.00 24.55 H new ATOM 0 HD2 ARG A 38 12.762 8.686 5.111 1.00 5.44 H new ATOM 0 HD3 ARG A 38 13.845 8.557 6.483 1.00 5.44 H new ATOM 0 HE ARG A 38 12.102 10.280 7.536 1.00 52.14 H new ATOM 0 HH11 ARG A 38 11.545 7.401 5.558 1.00 53.54 H new ATOM 0 HH12 ARG A 38 9.920 7.131 6.197 1.00 53.54 H new ATOM 0 HH21 ARG A 38 10.004 9.923 8.350 1.00 25.01 H new ATOM 0 HH22 ARG A 38 9.052 8.552 7.770 1.00 25.01 H new ATOM 600 N LEU A 39 17.560 10.306 5.657 1.00 65.23 N ATOM 601 CA LEU A 39 18.429 9.832 4.586 1.00 20.15 C ATOM 602 C LEU A 39 19.885 10.118 4.932 1.00 65.21 C ATOM 603 O LEU A 39 20.167 10.927 5.814 1.00 43.15 O ATOM 604 CB LEU A 39 18.063 10.517 3.265 1.00 10.31 C ATOM 605 CG LEU A 39 16.654 10.227 2.740 1.00 51.21 C ATOM 606 CD1 LEU A 39 16.352 11.089 1.524 1.00 2.22 C ATOM 607 CD2 LEU A 39 16.507 8.751 2.394 1.00 20.33 C ATOM 0 H LEU A 39 17.779 11.246 5.987 1.00 65.23 H new ATOM 0 HA LEU A 39 18.293 8.756 4.475 1.00 20.15 H new ATOM 0 HB2 LEU A 39 18.170 11.594 3.393 1.00 10.31 H new ATOM 0 HB3 LEU A 39 18.784 10.213 2.506 1.00 10.31 H new ATOM 0 HG LEU A 39 15.937 10.471 3.524 1.00 51.21 H new ATOM 0 HD11 LEU A 39 15.347 10.870 1.164 1.00 2.22 H new ATOM 0 HD12 LEU A 39 16.418 12.142 1.799 1.00 2.22 H new ATOM 0 HD13 LEU A 39 17.075 10.874 0.737 1.00 2.22 H new ATOM 0 HD21 LEU A 39 15.500 8.563 2.023 1.00 20.33 H new ATOM 0 HD22 LEU A 39 17.233 8.483 1.626 1.00 20.33 H new ATOM 0 HD23 LEU A 39 16.683 8.149 3.285 1.00 20.33 H new ATOM 619 N SER A 40 20.808 9.465 4.243 1.00 0.33 N ATOM 620 CA SER A 40 22.224 9.666 4.507 1.00 2.24 C ATOM 621 C SER A 40 22.825 10.738 3.590 1.00 60.02 C ATOM 622 O SER A 40 22.137 11.301 2.731 1.00 20.13 O ATOM 623 CB SER A 40 22.979 8.340 4.382 1.00 31.30 C ATOM 624 OG SER A 40 22.270 7.414 3.575 1.00 44.04 O ATOM 0 H SER A 40 20.604 8.795 3.501 1.00 0.33 H new ATOM 0 HA SER A 40 22.329 10.028 5.530 1.00 2.24 H new ATOM 0 HB2 SER A 40 23.964 8.520 3.952 1.00 31.30 H new ATOM 0 HB3 SER A 40 23.137 7.915 5.373 1.00 31.30 H new ATOM 0 HG SER A 40 22.339 7.680 2.634 1.00 44.04 H new ATOM 630 N HIS A 41 24.116 11.014 3.791 1.00 13.31 N ATOM 631 CA HIS A 41 24.804 12.097 3.084 1.00 75.25 C ATOM 632 C HIS A 41 24.753 11.944 1.565 1.00 41.11 C ATOM 633 O HIS A 41 24.804 12.936 0.849 1.00 41.13 O ATOM 634 CB HIS A 41 26.265 12.239 3.557 1.00 10.05 C ATOM 635 CG HIS A 41 27.099 10.994 3.440 1.00 74.22 C ATOM 636 ND1 HIS A 41 27.575 10.308 4.536 1.00 64.11 N ATOM 637 CD2 HIS A 41 27.547 10.316 2.357 1.00 31.41 C ATOM 638 CE1 HIS A 41 28.279 9.268 4.133 1.00 64.54 C ATOM 639 NE2 HIS A 41 28.275 9.249 2.816 1.00 43.23 N ATOM 0 H HIS A 41 24.709 10.499 4.442 1.00 13.31 H new ATOM 0 HA HIS A 41 24.262 13.009 3.334 1.00 75.25 H new ATOM 0 HB2 HIS A 41 26.741 13.032 2.980 1.00 10.05 H new ATOM 0 HB3 HIS A 41 26.263 12.560 4.599 1.00 10.05 H new ATOM 0 HD2 HIS A 41 27.365 10.569 1.323 1.00 31.41 H new ATOM 0 HE1 HIS A 41 28.774 8.554 4.774 1.00 64.54 H new ATOM 0 HE2 HIS A 41 28.739 8.553 2.232 1.00 43.23 H new ATOM 648 N ASP A 42 24.638 10.718 1.069 1.00 23.54 N ATOM 649 CA ASP A 42 24.596 10.499 -0.376 1.00 0.05 C ATOM 650 C ASP A 42 23.275 11.000 -0.937 1.00 12.44 C ATOM 651 O ASP A 42 23.238 11.774 -1.897 1.00 21.11 O ATOM 652 CB ASP A 42 24.772 9.017 -0.713 1.00 61.05 C ATOM 653 CG ASP A 42 24.907 8.780 -2.208 1.00 60.32 C ATOM 654 OD1 ASP A 42 23.875 8.607 -2.893 1.00 63.43 O ATOM 655 OD2 ASP A 42 26.054 8.765 -2.709 1.00 11.00 O ATOM 0 H ASP A 42 24.573 9.871 1.633 1.00 23.54 H new ATOM 0 HA ASP A 42 25.418 11.054 -0.828 1.00 0.05 H new ATOM 0 HB2 ASP A 42 25.657 8.633 -0.205 1.00 61.05 H new ATOM 0 HB3 ASP A 42 23.918 8.456 -0.334 1.00 61.05 H new ATOM 660 N GLU A 43 22.196 10.573 -0.301 1.00 14.52 N ATOM 661 CA GLU A 43 20.855 10.944 -0.713 1.00 51.01 C ATOM 662 C GLU A 43 20.642 12.446 -0.583 1.00 73.32 C ATOM 663 O GLU A 43 20.078 13.076 -1.478 1.00 20.03 O ATOM 664 CB GLU A 43 19.808 10.196 0.119 1.00 51.22 C ATOM 665 CG GLU A 43 19.772 8.687 -0.111 1.00 54.12 C ATOM 666 CD GLU A 43 21.039 7.979 0.331 1.00 74.12 C ATOM 667 OE1 GLU A 43 21.664 8.427 1.318 1.00 44.24 O ATOM 668 OE2 GLU A 43 21.418 6.977 -0.312 1.00 43.22 O ATOM 0 H GLU A 43 22.227 9.960 0.514 1.00 14.52 H new ATOM 0 HA GLU A 43 20.739 10.665 -1.760 1.00 51.01 H new ATOM 0 HB2 GLU A 43 20.000 10.385 1.175 1.00 51.22 H new ATOM 0 HB3 GLU A 43 18.824 10.608 -0.104 1.00 51.22 H new ATOM 0 HG2 GLU A 43 18.923 8.265 0.427 1.00 54.12 H new ATOM 0 HG3 GLU A 43 19.607 8.492 -1.171 1.00 54.12 H new ATOM 675 N VAL A 44 21.101 13.026 0.525 1.00 12.04 N ATOM 676 CA VAL A 44 20.944 14.461 0.732 1.00 64.12 C ATOM 677 C VAL A 44 21.836 15.249 -0.231 1.00 44.32 C ATOM 678 O VAL A 44 21.451 16.319 -0.706 1.00 4.42 O ATOM 679 CB VAL A 44 21.221 14.887 2.194 1.00 64.34 C ATOM 680 CG1 VAL A 44 20.281 14.164 3.146 1.00 55.54 C ATOM 681 CG2 VAL A 44 22.666 14.639 2.582 1.00 41.02 C ATOM 0 H VAL A 44 21.577 12.533 1.280 1.00 12.04 H new ATOM 0 HA VAL A 44 19.900 14.694 0.523 1.00 64.12 H new ATOM 0 HB VAL A 44 21.038 15.959 2.268 1.00 64.34 H new ATOM 0 HG11 VAL A 44 20.490 14.475 4.170 1.00 55.54 H new ATOM 0 HG12 VAL A 44 19.249 14.410 2.895 1.00 55.54 H new ATOM 0 HG13 VAL A 44 20.430 13.088 3.057 1.00 55.54 H new ATOM 0 HG21 VAL A 44 22.824 14.950 3.615 1.00 41.02 H new ATOM 0 HG22 VAL A 44 22.892 13.577 2.484 1.00 41.02 H new ATOM 0 HG23 VAL A 44 23.322 15.211 1.926 1.00 41.02 H new ATOM 691 N LYS A 45 23.014 14.703 -0.536 1.00 40.31 N ATOM 692 CA LYS A 45 23.900 15.294 -1.533 1.00 12.13 C ATOM 693 C LYS A 45 23.186 15.362 -2.879 1.00 13.43 C ATOM 694 O LYS A 45 23.228 16.381 -3.570 1.00 15.20 O ATOM 695 CB LYS A 45 25.188 14.465 -1.665 1.00 61.33 C ATOM 696 CG LYS A 45 26.141 14.961 -2.740 1.00 2.02 C ATOM 697 CD LYS A 45 27.305 14.003 -2.917 1.00 33.13 C ATOM 698 CE LYS A 45 28.284 14.498 -3.965 1.00 75.13 C ATOM 699 NZ LYS A 45 29.381 13.524 -4.201 1.00 24.32 N ATOM 0 H LYS A 45 23.375 13.852 -0.105 1.00 40.31 H new ATOM 0 HA LYS A 45 24.166 16.302 -1.214 1.00 12.13 H new ATOM 0 HB2 LYS A 45 25.707 14.466 -0.707 1.00 61.33 H new ATOM 0 HB3 LYS A 45 24.920 13.431 -1.882 1.00 61.33 H new ATOM 0 HG2 LYS A 45 25.607 15.068 -3.684 1.00 2.02 H new ATOM 0 HG3 LYS A 45 26.516 15.949 -2.472 1.00 2.02 H new ATOM 0 HD2 LYS A 45 27.822 13.879 -1.966 1.00 33.13 H new ATOM 0 HD3 LYS A 45 26.928 13.022 -3.205 1.00 33.13 H new ATOM 0 HE2 LYS A 45 27.754 14.681 -4.900 1.00 75.13 H new ATOM 0 HE3 LYS A 45 28.707 15.451 -3.646 1.00 75.13 H new ATOM 0 HZ1 LYS A 45 30.029 13.899 -4.923 1.00 24.32 H new ATOM 0 HZ2 LYS A 45 29.903 13.368 -3.315 1.00 24.32 H new ATOM 0 HZ3 LYS A 45 28.980 12.623 -4.530 1.00 24.32 H new ATOM 713 N ALA A 46 22.515 14.272 -3.229 1.00 24.01 N ATOM 714 CA ALA A 46 21.797 14.181 -4.491 1.00 74.23 C ATOM 715 C ALA A 46 20.581 15.107 -4.521 1.00 34.34 C ATOM 716 O ALA A 46 20.416 15.885 -5.463 1.00 23.14 O ATOM 717 CB ALA A 46 21.372 12.747 -4.747 1.00 34.25 C ATOM 0 H ALA A 46 22.454 13.434 -2.651 1.00 24.01 H new ATOM 0 HA ALA A 46 22.475 14.503 -5.282 1.00 74.23 H new ATOM 0 HB1 ALA A 46 20.835 12.690 -5.694 1.00 34.25 H new ATOM 0 HB2 ALA A 46 22.254 12.108 -4.791 1.00 34.25 H new ATOM 0 HB3 ALA A 46 20.721 12.411 -3.940 1.00 34.25 H new ATOM 723 N VAL A 47 19.740 15.031 -3.490 1.00 63.11 N ATOM 724 CA VAL A 47 18.502 15.809 -3.460 1.00 5.15 C ATOM 725 C VAL A 47 18.791 17.310 -3.448 1.00 71.40 C ATOM 726 O VAL A 47 18.090 18.082 -4.096 1.00 3.44 O ATOM 727 CB VAL A 47 17.593 15.422 -2.262 1.00 52.11 C ATOM 728 CG1 VAL A 47 18.234 15.770 -0.929 1.00 2.14 C ATOM 729 CG2 VAL A 47 16.228 16.082 -2.385 1.00 1.32 C ATOM 0 H VAL A 47 19.891 14.443 -2.670 1.00 63.11 H new ATOM 0 HA VAL A 47 17.960 15.567 -4.374 1.00 5.15 H new ATOM 0 HB VAL A 47 17.463 14.340 -2.292 1.00 52.11 H new ATOM 0 HG11 VAL A 47 17.565 15.483 -0.118 1.00 2.14 H new ATOM 0 HG12 VAL A 47 19.178 15.234 -0.828 1.00 2.14 H new ATOM 0 HG13 VAL A 47 18.420 16.843 -0.884 1.00 2.14 H new ATOM 0 HG21 VAL A 47 15.608 15.797 -1.535 1.00 1.32 H new ATOM 0 HG22 VAL A 47 16.348 17.165 -2.400 1.00 1.32 H new ATOM 0 HG23 VAL A 47 15.749 15.757 -3.309 1.00 1.32 H new ATOM 739 N ALA A 48 19.839 17.720 -2.738 1.00 53.54 N ATOM 740 CA ALA A 48 20.224 19.124 -2.716 1.00 3.21 C ATOM 741 C ALA A 48 20.746 19.554 -4.081 1.00 22.54 C ATOM 742 O ALA A 48 20.453 20.655 -4.556 1.00 13.30 O ATOM 743 CB ALA A 48 21.270 19.378 -1.642 1.00 15.11 C ATOM 0 H ALA A 48 20.430 17.106 -2.177 1.00 53.54 H new ATOM 0 HA ALA A 48 19.341 19.718 -2.480 1.00 3.21 H new ATOM 0 HB1 ALA A 48 21.544 20.433 -1.643 1.00 15.11 H new ATOM 0 HB2 ALA A 48 20.863 19.109 -0.667 1.00 15.11 H new ATOM 0 HB3 ALA A 48 22.154 18.774 -1.845 1.00 15.11 H new ATOM 749 N ASN A 49 21.500 18.666 -4.717 1.00 73.23 N ATOM 750 CA ASN A 49 22.077 18.938 -6.028 1.00 11.34 C ATOM 751 C ASN A 49 20.982 19.158 -7.067 1.00 21.14 C ATOM 752 O ASN A 49 21.014 20.137 -7.812 1.00 34.35 O ATOM 753 CB ASN A 49 22.990 17.784 -6.456 1.00 24.22 C ATOM 754 CG ASN A 49 23.672 18.034 -7.787 1.00 72.24 C ATOM 755 OD1 ASN A 49 23.153 17.676 -8.843 1.00 13.43 O ATOM 756 ND2 ASN A 49 24.848 18.645 -7.745 1.00 34.41 N ATOM 0 H ASN A 49 21.727 17.745 -4.343 1.00 73.23 H new ATOM 0 HA ASN A 49 22.670 19.850 -5.958 1.00 11.34 H new ATOM 0 HB2 ASN A 49 23.748 17.624 -5.689 1.00 24.22 H new ATOM 0 HB3 ASN A 49 22.403 16.868 -6.521 1.00 24.22 H new ATOM 0 HD21 ASN A 49 25.356 18.834 -8.609 1.00 34.41 H new ATOM 0 HD22 ASN A 49 25.245 18.926 -6.848 1.00 34.41 H new ATOM 763 N GLU A 50 20.001 18.261 -7.099 1.00 63.12 N ATOM 764 CA GLU A 50 18.908 18.381 -8.056 1.00 22.12 C ATOM 765 C GLU A 50 17.976 19.525 -7.665 1.00 22.40 C ATOM 766 O GLU A 50 17.365 20.157 -8.526 1.00 61.11 O ATOM 767 CB GLU A 50 18.129 17.066 -8.181 1.00 3.54 C ATOM 768 CG GLU A 50 17.436 16.621 -6.905 1.00 54.34 C ATOM 769 CD GLU A 50 16.717 15.298 -7.072 1.00 12.15 C ATOM 770 OE1 GLU A 50 17.395 14.249 -7.129 1.00 72.03 O ATOM 771 OE2 GLU A 50 15.472 15.300 -7.162 1.00 13.25 O ATOM 0 H GLU A 50 19.941 17.452 -6.481 1.00 63.12 H new ATOM 0 HA GLU A 50 19.341 18.604 -9.031 1.00 22.12 H new ATOM 0 HB2 GLU A 50 17.381 17.175 -8.967 1.00 3.54 H new ATOM 0 HB3 GLU A 50 18.815 16.281 -8.500 1.00 3.54 H new ATOM 0 HG2 GLU A 50 18.172 16.533 -6.106 1.00 54.34 H new ATOM 0 HG3 GLU A 50 16.721 17.384 -6.597 1.00 54.34 H new ATOM 778 N LEU A 51 17.881 19.795 -6.367 1.00 72.23 N ATOM 779 CA LEU A 51 17.079 20.908 -5.874 1.00 55.41 C ATOM 780 C LEU A 51 17.629 22.231 -6.403 1.00 24.41 C ATOM 781 O LEU A 51 16.870 23.119 -6.796 1.00 62.31 O ATOM 782 CB LEU A 51 17.058 20.913 -4.342 1.00 14.10 C ATOM 783 CG LEU A 51 16.207 22.013 -3.696 1.00 34.30 C ATOM 784 CD1 LEU A 51 14.755 21.903 -4.136 1.00 63.41 C ATOM 785 CD2 LEU A 51 16.308 21.937 -2.180 1.00 30.24 C ATOM 0 H LEU A 51 18.350 19.258 -5.638 1.00 72.23 H new ATOM 0 HA LEU A 51 16.057 20.787 -6.233 1.00 55.41 H new ATOM 0 HB2 LEU A 51 16.692 19.946 -3.998 1.00 14.10 H new ATOM 0 HB3 LEU A 51 18.082 21.012 -3.982 1.00 14.10 H new ATOM 0 HG LEU A 51 16.590 22.979 -4.025 1.00 34.30 H new ATOM 0 HD11 LEU A 51 14.171 22.694 -3.665 1.00 63.41 H new ATOM 0 HD12 LEU A 51 14.695 22.004 -5.220 1.00 63.41 H new ATOM 0 HD13 LEU A 51 14.357 20.932 -3.839 1.00 63.41 H new ATOM 0 HD21 LEU A 51 15.699 22.724 -1.735 1.00 30.24 H new ATOM 0 HD22 LEU A 51 15.951 20.965 -1.840 1.00 30.24 H new ATOM 0 HD23 LEU A 51 17.347 22.068 -1.878 1.00 30.24 H new ATOM 797 N MET A 52 18.955 22.347 -6.420 1.00 34.31 N ATOM 798 CA MET A 52 19.618 23.527 -6.976 1.00 22.22 C ATOM 799 C MET A 52 19.286 23.690 -8.456 1.00 41.23 C ATOM 800 O MET A 52 19.126 24.804 -8.947 1.00 64.42 O ATOM 801 CB MET A 52 21.139 23.430 -6.808 1.00 43.15 C ATOM 802 CG MET A 52 21.613 23.514 -5.368 1.00 23.10 C ATOM 803 SD MET A 52 23.410 23.462 -5.224 1.00 2.50 S ATOM 804 CE MET A 52 23.612 23.738 -3.468 1.00 45.22 C ATOM 0 H MET A 52 19.592 21.639 -6.056 1.00 34.31 H new ATOM 0 HA MET A 52 19.252 24.396 -6.429 1.00 22.22 H new ATOM 0 HB2 MET A 52 21.481 22.488 -7.237 1.00 43.15 H new ATOM 0 HB3 MET A 52 21.608 24.230 -7.380 1.00 43.15 H new ATOM 0 HG2 MET A 52 21.243 24.437 -4.921 1.00 23.10 H new ATOM 0 HG3 MET A 52 21.183 22.690 -4.799 1.00 23.10 H new ATOM 0 HE1 MET A 52 24.646 23.542 -3.185 1.00 45.22 H new ATOM 0 HE2 MET A 52 23.361 24.772 -3.231 1.00 45.22 H new ATOM 0 HE3 MET A 52 22.952 23.069 -2.916 1.00 45.22 H new ATOM 814 N ARG A 53 19.216 22.571 -9.163 1.00 0.12 N ATOM 815 CA ARG A 53 18.937 22.572 -10.592 1.00 31.34 C ATOM 816 C ARG A 53 17.478 22.920 -10.887 1.00 53.14 C ATOM 817 O ARG A 53 17.194 23.795 -11.704 1.00 11.32 O ATOM 818 CB ARG A 53 19.293 21.215 -11.201 1.00 43.45 C ATOM 819 CG ARG A 53 20.754 20.834 -11.011 1.00 71.50 C ATOM 820 CD ARG A 53 21.684 21.825 -11.690 1.00 51.30 C ATOM 821 NE ARG A 53 21.552 21.788 -13.144 1.00 54.25 N ATOM 822 CZ ARG A 53 21.555 22.866 -13.928 1.00 53.43 C ATOM 823 NH1 ARG A 53 21.629 24.086 -13.402 1.00 52.52 N ATOM 824 NH2 ARG A 53 21.471 22.721 -15.244 1.00 40.44 N ATOM 0 H ARG A 53 19.350 21.642 -8.765 1.00 0.12 H new ATOM 0 HA ARG A 53 19.557 23.344 -11.048 1.00 31.34 H new ATOM 0 HB2 ARG A 53 18.663 20.447 -10.752 1.00 43.45 H new ATOM 0 HB3 ARG A 53 19.065 21.232 -12.267 1.00 43.45 H new ATOM 0 HG2 ARG A 53 20.983 20.790 -9.946 1.00 71.50 H new ATOM 0 HG3 ARG A 53 20.926 19.837 -11.416 1.00 71.50 H new ATOM 0 HD2 ARG A 53 21.467 22.831 -11.331 1.00 51.30 H new ATOM 0 HD3 ARG A 53 22.715 21.604 -11.413 1.00 51.30 H new ATOM 0 HE ARG A 53 21.451 20.876 -13.589 1.00 54.25 H new ATOM 0 HH11 ARG A 53 21.684 24.203 -12.390 1.00 52.52 H new ATOM 0 HH12 ARG A 53 21.631 24.905 -14.011 1.00 52.52 H new ATOM 0 HH21 ARG A 53 21.405 21.788 -15.651 1.00 40.44 H new ATOM 0 HH22 ARG A 53 21.473 23.542 -15.849 1.00 40.44 H new ATOM 838 N LEU A 54 16.562 22.236 -10.211 1.00 71.25 N ATOM 839 CA LEU A 54 15.132 22.384 -10.483 1.00 62.34 C ATOM 840 C LEU A 54 14.586 23.731 -10.014 1.00 22.45 C ATOM 841 O LEU A 54 13.671 24.281 -10.627 1.00 5.15 O ATOM 842 CB LEU A 54 14.343 21.247 -9.826 1.00 64.53 C ATOM 843 CG LEU A 54 14.162 19.982 -10.678 1.00 41.12 C ATOM 844 CD1 LEU A 54 13.340 20.292 -11.919 1.00 41.11 C ATOM 845 CD2 LEU A 54 15.507 19.384 -11.070 1.00 13.34 C ATOM 0 H LEU A 54 16.782 21.572 -9.469 1.00 71.25 H new ATOM 0 HA LEU A 54 15.009 22.339 -11.565 1.00 62.34 H new ATOM 0 HB2 LEU A 54 14.845 20.970 -8.899 1.00 64.53 H new ATOM 0 HB3 LEU A 54 13.357 21.624 -9.554 1.00 64.53 H new ATOM 0 HG LEU A 54 13.629 19.246 -10.077 1.00 41.12 H new ATOM 0 HD11 LEU A 54 13.221 19.385 -12.512 1.00 41.11 H new ATOM 0 HD12 LEU A 54 12.359 20.663 -11.622 1.00 41.11 H new ATOM 0 HD13 LEU A 54 13.850 21.050 -12.513 1.00 41.11 H new ATOM 0 HD21 LEU A 54 15.346 18.490 -11.672 1.00 13.34 H new ATOM 0 HD22 LEU A 54 16.075 20.113 -11.648 1.00 13.34 H new ATOM 0 HD23 LEU A 54 16.064 19.120 -10.171 1.00 13.34 H new ATOM 857 N GLY A 55 15.144 24.266 -8.939 1.00 41.21 N ATOM 858 CA GLY A 55 14.654 25.523 -8.412 1.00 63.30 C ATOM 859 C GLY A 55 15.757 26.538 -8.222 1.00 62.12 C ATOM 860 O GLY A 55 16.761 26.518 -8.939 1.00 34.14 O ATOM 0 H GLY A 55 15.923 23.855 -8.424 1.00 41.21 H new ATOM 0 HA2 GLY A 55 13.903 25.929 -9.089 1.00 63.30 H new ATOM 0 HA3 GLY A 55 14.159 25.345 -7.457 1.00 63.30 H new ATOM 864 N ASP A 56 15.569 27.438 -7.272 1.00 0.02 N ATOM 865 CA ASP A 56 16.589 28.421 -6.945 1.00 15.42 C ATOM 866 C ASP A 56 17.182 28.126 -5.580 1.00 64.31 C ATOM 867 O ASP A 56 16.561 28.371 -4.546 1.00 71.51 O ATOM 868 CB ASP A 56 16.026 29.842 -6.981 1.00 73.02 C ATOM 869 CG ASP A 56 17.052 30.881 -6.564 1.00 5.42 C ATOM 870 OD1 ASP A 56 17.980 31.162 -7.352 1.00 72.25 O ATOM 871 OD2 ASP A 56 16.928 31.434 -5.452 1.00 0.31 O ATOM 0 H ASP A 56 14.719 27.509 -6.713 1.00 0.02 H new ATOM 0 HA ASP A 56 17.374 28.353 -7.698 1.00 15.42 H new ATOM 0 HB2 ASP A 56 15.675 30.066 -7.988 1.00 73.02 H new ATOM 0 HB3 ASP A 56 15.161 29.904 -6.321 1.00 73.02 H new ATOM 876 N PHE A 57 18.369 27.562 -5.596 1.00 41.20 N ATOM 877 CA PHE A 57 19.097 27.247 -4.386 1.00 0.01 C ATOM 878 C PHE A 57 20.448 27.942 -4.465 1.00 54.22 C ATOM 879 O PHE A 57 21.150 27.807 -5.469 1.00 53.24 O ATOM 880 CB PHE A 57 19.260 25.722 -4.278 1.00 1.34 C ATOM 881 CG PHE A 57 19.699 25.191 -2.932 1.00 74.43 C ATOM 882 CD1 PHE A 57 20.457 25.954 -2.059 1.00 34.42 C ATOM 883 CD2 PHE A 57 19.362 23.899 -2.558 1.00 53.03 C ATOM 884 CE1 PHE A 57 20.865 25.444 -0.843 1.00 53.11 C ATOM 885 CE2 PHE A 57 19.767 23.385 -1.342 1.00 74.50 C ATOM 886 CZ PHE A 57 20.521 24.158 -0.483 1.00 15.54 C ATOM 0 H PHE A 57 18.860 27.307 -6.453 1.00 41.20 H new ATOM 0 HA PHE A 57 18.565 27.591 -3.499 1.00 0.01 H new ATOM 0 HB2 PHE A 57 18.309 25.257 -4.536 1.00 1.34 H new ATOM 0 HB3 PHE A 57 19.985 25.401 -5.026 1.00 1.34 H new ATOM 0 HD1 PHE A 57 20.732 26.962 -2.334 1.00 34.42 H new ATOM 0 HD2 PHE A 57 18.775 23.287 -3.227 1.00 53.03 H new ATOM 0 HE1 PHE A 57 21.454 26.053 -0.173 1.00 53.11 H new ATOM 0 HE2 PHE A 57 19.494 22.378 -1.063 1.00 74.50 H new ATOM 0 HZ PHE A 57 20.841 23.757 0.468 1.00 15.54 H new ATOM 896 N ASP A 58 20.788 28.705 -3.434 1.00 55.52 N ATOM 897 CA ASP A 58 22.039 29.454 -3.413 1.00 42.31 C ATOM 898 C ASP A 58 23.218 28.514 -3.626 1.00 31.30 C ATOM 899 O ASP A 58 23.250 27.413 -3.074 1.00 23.35 O ATOM 900 CB ASP A 58 22.185 30.211 -2.089 1.00 72.43 C ATOM 901 CG ASP A 58 23.362 31.168 -2.093 1.00 71.31 C ATOM 902 OD1 ASP A 58 23.647 31.766 -3.154 1.00 11.45 O ATOM 903 OD2 ASP A 58 24.005 31.336 -1.037 1.00 3.53 O ATOM 0 H ASP A 58 20.214 28.822 -2.599 1.00 55.52 H new ATOM 0 HA ASP A 58 22.026 30.182 -4.224 1.00 42.31 H new ATOM 0 HB2 ASP A 58 21.269 30.768 -1.890 1.00 72.43 H new ATOM 0 HB3 ASP A 58 22.306 29.495 -1.276 1.00 72.43 H new ATOM 908 N GLN A 59 24.172 28.939 -4.443 1.00 65.13 N ATOM 909 CA GLN A 59 25.288 28.084 -4.818 1.00 61.52 C ATOM 910 C GLN A 59 26.286 27.991 -3.671 1.00 42.02 C ATOM 911 O GLN A 59 27.292 28.704 -3.635 1.00 22.20 O ATOM 912 CB GLN A 59 25.968 28.609 -6.083 1.00 52.04 C ATOM 913 CG GLN A 59 26.833 27.578 -6.793 1.00 33.10 C ATOM 914 CD GLN A 59 26.044 26.352 -7.216 1.00 42.12 C ATOM 915 OE1 GLN A 59 25.440 26.328 -8.287 1.00 43.20 O ATOM 916 NE2 GLN A 59 26.078 25.309 -6.407 1.00 63.24 N ATOM 0 H GLN A 59 24.195 29.870 -4.858 1.00 65.13 H new ATOM 0 HA GLN A 59 24.906 27.085 -5.029 1.00 61.52 H new ATOM 0 HB2 GLN A 59 25.203 28.964 -6.774 1.00 52.04 H new ATOM 0 HB3 GLN A 59 26.585 29.468 -5.821 1.00 52.04 H new ATOM 0 HG2 GLN A 59 27.289 28.034 -7.672 1.00 33.10 H new ATOM 0 HG3 GLN A 59 27.646 27.274 -6.134 1.00 33.10 H new ATOM 0 HE21 GLN A 59 26.589 25.364 -5.526 1.00 63.24 H new ATOM 0 HE22 GLN A 59 25.593 24.449 -6.663 1.00 63.24 H new ATOM 925 N ILE A 60 25.975 27.128 -2.721 1.00 73.33 N ATOM 926 CA ILE A 60 26.798 26.945 -1.542 1.00 52.00 C ATOM 927 C ILE A 60 27.359 25.536 -1.490 1.00 62.32 C ATOM 928 O ILE A 60 26.943 24.659 -2.249 1.00 61.30 O ATOM 929 CB ILE A 60 25.995 27.210 -0.255 1.00 22.03 C ATOM 930 CG1 ILE A 60 24.737 26.337 -0.226 1.00 74.12 C ATOM 931 CG2 ILE A 60 25.635 28.683 -0.158 1.00 12.40 C ATOM 932 CD1 ILE A 60 23.912 26.495 1.028 1.00 34.21 C ATOM 0 H ILE A 60 25.145 26.535 -2.746 1.00 73.33 H new ATOM 0 HA ILE A 60 27.617 27.662 -1.606 1.00 52.00 H new ATOM 0 HB ILE A 60 26.610 26.950 0.607 1.00 22.03 H new ATOM 0 HG12 ILE A 60 24.118 26.580 -1.090 1.00 74.12 H new ATOM 0 HG13 ILE A 60 25.029 25.292 -0.328 1.00 74.12 H new ATOM 0 HG21 ILE A 60 25.067 28.859 0.756 1.00 12.40 H new ATOM 0 HG22 ILE A 60 26.547 29.280 -0.140 1.00 12.40 H new ATOM 0 HG23 ILE A 60 25.032 28.968 -1.020 1.00 12.40 H new ATOM 0 HD11 ILE A 60 23.039 25.845 0.973 1.00 34.21 H new ATOM 0 HD12 ILE A 60 24.513 26.223 1.896 1.00 34.21 H new ATOM 0 HD13 ILE A 60 23.587 27.531 1.122 1.00 34.21 H new ATOM 944 N ASP A 61 28.301 25.327 -0.590 1.00 74.15 N ATOM 945 CA ASP A 61 28.931 24.027 -0.430 1.00 11.11 C ATOM 946 C ASP A 61 28.057 23.103 0.406 1.00 32.54 C ATOM 947 O ASP A 61 27.916 23.287 1.612 1.00 44.33 O ATOM 948 CB ASP A 61 30.312 24.184 0.212 1.00 43.43 C ATOM 949 CG ASP A 61 30.912 22.868 0.664 1.00 44.22 C ATOM 950 OD1 ASP A 61 30.781 21.861 -0.064 1.00 51.15 O ATOM 951 OD2 ASP A 61 31.520 22.844 1.759 1.00 63.43 O ATOM 0 H ASP A 61 28.650 26.044 0.046 1.00 74.15 H new ATOM 0 HA ASP A 61 29.052 23.579 -1.416 1.00 11.11 H new ATOM 0 HB2 ASP A 61 30.986 24.657 -0.502 1.00 43.43 H new ATOM 0 HB3 ASP A 61 30.234 24.854 1.068 1.00 43.43 H new ATOM 956 N ILE A 62 27.434 22.143 -0.256 1.00 1.14 N ATOM 957 CA ILE A 62 26.666 21.114 0.423 1.00 44.54 C ATOM 958 C ILE A 62 27.515 19.860 0.578 1.00 35.03 C ATOM 959 O ILE A 62 27.545 19.236 1.640 1.00 21.22 O ATOM 960 CB ILE A 62 25.380 20.759 -0.360 1.00 53.15 C ATOM 961 CG1 ILE A 62 24.472 21.986 -0.490 1.00 34.35 C ATOM 962 CG2 ILE A 62 24.635 19.608 0.309 1.00 21.32 C ATOM 963 CD1 ILE A 62 23.971 22.521 0.833 1.00 32.22 C ATOM 0 H ILE A 62 27.446 22.055 -1.272 1.00 1.14 H new ATOM 0 HA ILE A 62 26.380 21.501 1.401 1.00 44.54 H new ATOM 0 HB ILE A 62 25.671 20.438 -1.360 1.00 53.15 H new ATOM 0 HG12 ILE A 62 25.017 22.776 -1.007 1.00 34.35 H new ATOM 0 HG13 ILE A 62 23.616 21.728 -1.114 1.00 34.35 H new ATOM 0 HG21 ILE A 62 23.735 19.377 -0.261 1.00 21.32 H new ATOM 0 HG22 ILE A 62 25.278 18.729 0.342 1.00 21.32 H new ATOM 0 HG23 ILE A 62 24.359 19.894 1.324 1.00 21.32 H new ATOM 0 HD11 ILE A 62 23.335 23.389 0.657 1.00 32.22 H new ATOM 0 HD12 ILE A 62 23.397 21.748 1.344 1.00 32.22 H new ATOM 0 HD13 ILE A 62 24.819 22.812 1.452 1.00 32.22 H new ATOM 975 N GLY A 63 28.228 19.528 -0.493 1.00 31.43 N ATOM 976 CA GLY A 63 28.984 18.297 -0.559 1.00 52.11 C ATOM 977 C GLY A 63 29.982 18.135 0.568 1.00 31.22 C ATOM 978 O GLY A 63 29.989 17.110 1.246 1.00 14.54 O ATOM 0 H GLY A 63 28.294 20.105 -1.331 1.00 31.43 H new ATOM 0 HA2 GLY A 63 28.292 17.455 -0.544 1.00 52.11 H new ATOM 0 HA3 GLY A 63 29.514 18.257 -1.511 1.00 52.11 H new ATOM 982 N VAL A 64 30.818 19.143 0.783 1.00 13.42 N ATOM 983 CA VAL A 64 31.862 19.040 1.791 1.00 34.32 C ATOM 984 C VAL A 64 31.274 19.109 3.197 1.00 53.31 C ATOM 985 O VAL A 64 31.741 18.428 4.100 1.00 3.43 O ATOM 986 CB VAL A 64 32.941 20.138 1.615 1.00 54.13 C ATOM 987 CG1 VAL A 64 34.044 19.985 2.654 1.00 30.14 C ATOM 988 CG2 VAL A 64 33.525 20.089 0.213 1.00 21.11 C ATOM 0 H VAL A 64 30.794 20.030 0.280 1.00 13.42 H new ATOM 0 HA VAL A 64 32.340 18.070 1.656 1.00 34.32 H new ATOM 0 HB VAL A 64 32.466 21.108 1.761 1.00 54.13 H new ATOM 0 HG11 VAL A 64 34.790 20.767 2.511 1.00 30.14 H new ATOM 0 HG12 VAL A 64 33.617 20.070 3.653 1.00 30.14 H new ATOM 0 HG13 VAL A 64 34.516 19.009 2.543 1.00 30.14 H new ATOM 0 HG21 VAL A 64 34.281 20.867 0.106 1.00 21.11 H new ATOM 0 HG22 VAL A 64 33.981 19.114 0.043 1.00 21.11 H new ATOM 0 HG23 VAL A 64 32.732 20.251 -0.517 1.00 21.11 H new ATOM 998 N VAL A 65 30.228 19.904 3.377 1.00 25.53 N ATOM 999 CA VAL A 65 29.603 20.057 4.690 1.00 41.35 C ATOM 1000 C VAL A 65 29.000 18.741 5.188 1.00 15.00 C ATOM 1001 O VAL A 65 29.220 18.339 6.330 1.00 61.02 O ATOM 1002 CB VAL A 65 28.501 21.140 4.678 1.00 41.42 C ATOM 1003 CG1 VAL A 65 27.786 21.190 6.016 1.00 52.00 C ATOM 1004 CG2 VAL A 65 29.082 22.505 4.353 1.00 63.33 C ATOM 0 H VAL A 65 29.793 20.453 2.635 1.00 25.53 H new ATOM 0 HA VAL A 65 30.398 20.365 5.369 1.00 41.35 H new ATOM 0 HB VAL A 65 27.783 20.875 3.902 1.00 41.42 H new ATOM 0 HG11 VAL A 65 27.014 21.959 5.987 1.00 52.00 H new ATOM 0 HG12 VAL A 65 27.327 20.222 6.220 1.00 52.00 H new ATOM 0 HG13 VAL A 65 28.503 21.425 6.803 1.00 52.00 H new ATOM 0 HG21 VAL A 65 28.285 23.249 4.351 1.00 63.33 H new ATOM 0 HG22 VAL A 65 29.826 22.772 5.104 1.00 63.33 H new ATOM 0 HG23 VAL A 65 29.553 22.475 3.370 1.00 63.33 H new ATOM 1014 N ILE A 66 28.253 18.064 4.326 1.00 60.32 N ATOM 1015 CA ILE A 66 27.525 16.859 4.727 1.00 21.23 C ATOM 1016 C ILE A 66 28.450 15.655 4.888 1.00 32.33 C ATOM 1017 O ILE A 66 28.116 14.691 5.579 1.00 44.40 O ATOM 1018 CB ILE A 66 26.422 16.508 3.713 1.00 4.44 C ATOM 1019 CG1 ILE A 66 27.033 16.210 2.343 1.00 1.10 C ATOM 1020 CG2 ILE A 66 25.424 17.649 3.616 1.00 30.33 C ATOM 1021 CD1 ILE A 66 26.011 15.904 1.276 1.00 22.24 C ATOM 0 H ILE A 66 28.133 18.324 3.347 1.00 60.32 H new ATOM 0 HA ILE A 66 27.074 17.085 5.693 1.00 21.23 H new ATOM 0 HB ILE A 66 25.899 15.615 4.055 1.00 4.44 H new ATOM 0 HG12 ILE A 66 27.630 17.066 2.027 1.00 1.10 H new ATOM 0 HG13 ILE A 66 27.714 15.364 2.435 1.00 1.10 H new ATOM 0 HG21 ILE A 66 24.647 17.392 2.896 1.00 30.33 H new ATOM 0 HG22 ILE A 66 24.972 17.821 4.593 1.00 30.33 H new ATOM 0 HG23 ILE A 66 25.936 18.554 3.289 1.00 30.33 H new ATOM 0 HD11 ILE A 66 26.519 15.703 0.333 1.00 22.24 H new ATOM 0 HD12 ILE A 66 25.430 15.029 1.569 1.00 22.24 H new ATOM 0 HD13 ILE A 66 25.345 16.758 1.155 1.00 22.24 H new ATOM 1033 N THR A 67 29.603 15.703 4.242 1.00 14.14 N ATOM 1034 CA THR A 67 30.550 14.606 4.315 1.00 50.13 C ATOM 1035 C THR A 67 31.664 14.923 5.317 1.00 71.42 C ATOM 1036 O THR A 67 32.346 14.030 5.820 1.00 32.31 O ATOM 1037 CB THR A 67 31.136 14.290 2.920 1.00 41.24 C ATOM 1038 OG1 THR A 67 31.718 15.470 2.349 1.00 22.32 O ATOM 1039 CG2 THR A 67 30.053 13.754 1.983 1.00 74.34 C ATOM 0 H THR A 67 29.904 16.487 3.663 1.00 14.14 H new ATOM 0 HA THR A 67 30.020 13.720 4.664 1.00 50.13 H new ATOM 0 HB THR A 67 31.905 13.527 3.042 1.00 41.24 H new ATOM 0 HG1 THR A 67 31.118 15.832 1.664 1.00 22.32 H new ATOM 0 HG21 THR A 67 30.490 13.539 1.008 1.00 74.34 H new ATOM 0 HG22 THR A 67 29.630 12.840 2.401 1.00 74.34 H new ATOM 0 HG23 THR A 67 29.266 14.500 1.872 1.00 74.34 H new ATOM 1047 N HIS A 68 31.806 16.207 5.629 1.00 62.10 N ATOM 1048 CA HIS A 68 32.799 16.680 6.587 1.00 75.44 C ATOM 1049 C HIS A 68 32.162 17.708 7.516 1.00 63.13 C ATOM 1050 O HIS A 68 32.164 18.907 7.236 1.00 34.35 O ATOM 1051 CB HIS A 68 34.016 17.280 5.861 1.00 73.14 C ATOM 1052 CG HIS A 68 35.039 17.891 6.777 1.00 52.01 C ATOM 1053 ND1 HIS A 68 35.296 19.246 6.825 1.00 65.54 N ATOM 1054 CD2 HIS A 68 35.878 17.324 7.677 1.00 52.12 C ATOM 1055 CE1 HIS A 68 36.243 19.482 7.711 1.00 12.54 C ATOM 1056 NE2 HIS A 68 36.612 18.334 8.243 1.00 54.52 N ATOM 0 H HIS A 68 31.235 16.950 5.225 1.00 62.10 H new ATOM 0 HA HIS A 68 33.150 15.836 7.180 1.00 75.44 H new ATOM 0 HB2 HIS A 68 34.494 16.499 5.270 1.00 73.14 H new ATOM 0 HB3 HIS A 68 33.669 18.041 5.162 1.00 73.14 H new ATOM 0 HD2 HIS A 68 35.954 16.271 7.906 1.00 52.12 H new ATOM 0 HE1 HIS A 68 36.648 20.452 7.959 1.00 12.54 H new ATOM 0 HE2 HIS A 68 37.328 18.216 8.960 1.00 54.52 H new ATOM 1065 N PHE A 69 31.585 17.212 8.597 1.00 30.31 N ATOM 1066 CA PHE A 69 30.894 18.054 9.567 1.00 22.22 C ATOM 1067 C PHE A 69 31.851 19.010 10.272 1.00 3.34 C ATOM 1068 O PHE A 69 33.007 18.673 10.539 1.00 14.12 O ATOM 1069 CB PHE A 69 30.186 17.186 10.609 1.00 5.11 C ATOM 1070 CG PHE A 69 29.077 16.342 10.047 1.00 12.44 C ATOM 1071 CD1 PHE A 69 29.341 15.091 9.511 1.00 70.53 C ATOM 1072 CD2 PHE A 69 27.771 16.800 10.061 1.00 75.14 C ATOM 1073 CE1 PHE A 69 28.320 14.314 8.996 1.00 1.20 C ATOM 1074 CE2 PHE A 69 26.748 16.028 9.549 1.00 11.41 C ATOM 1075 CZ PHE A 69 27.022 14.783 9.016 1.00 61.22 C ATOM 0 H PHE A 69 31.580 16.219 8.829 1.00 30.31 H new ATOM 0 HA PHE A 69 30.162 18.648 9.019 1.00 22.22 H new ATOM 0 HB2 PHE A 69 30.920 16.535 11.084 1.00 5.11 H new ATOM 0 HB3 PHE A 69 29.780 17.830 11.389 1.00 5.11 H new ATOM 0 HD1 PHE A 69 30.355 14.719 9.496 1.00 70.53 H new ATOM 0 HD2 PHE A 69 27.550 17.772 10.477 1.00 75.14 H new ATOM 0 HE1 PHE A 69 28.538 13.342 8.579 1.00 1.20 H new ATOM 0 HE2 PHE A 69 25.733 16.397 9.565 1.00 11.41 H new ATOM 0 HZ PHE A 69 26.222 14.178 8.616 1.00 61.22 H new ATOM 1085 N THR A 70 31.357 20.201 10.568 1.00 73.34 N ATOM 1086 CA THR A 70 32.115 21.181 11.325 1.00 1.43 C ATOM 1087 C THR A 70 31.923 20.967 12.826 1.00 12.24 C ATOM 1088 O THR A 70 31.223 20.041 13.244 1.00 70.15 O ATOM 1089 CB THR A 70 31.691 22.610 10.948 1.00 44.13 C ATOM 1090 OG1 THR A 70 30.271 22.663 10.759 1.00 53.25 O ATOM 1091 CG2 THR A 70 32.396 23.073 9.684 1.00 54.12 C ATOM 0 H THR A 70 30.426 20.513 10.292 1.00 73.34 H new ATOM 0 HA THR A 70 33.169 21.050 11.079 1.00 1.43 H new ATOM 0 HB THR A 70 31.975 23.276 11.762 1.00 44.13 H new ATOM 0 HG1 THR A 70 29.821 22.342 11.568 1.00 53.25 H new ATOM 0 HG21 THR A 70 32.078 24.087 9.440 1.00 54.12 H new ATOM 0 HG22 THR A 70 33.474 23.060 9.843 1.00 54.12 H new ATOM 0 HG23 THR A 70 32.142 22.405 8.861 1.00 54.12 H new ATOM 1099 N ASP A 71 32.543 21.819 13.627 1.00 4.40 N ATOM 1100 CA ASP A 71 32.461 21.702 15.078 1.00 51.42 C ATOM 1101 C ASP A 71 31.166 22.304 15.600 1.00 70.43 C ATOM 1102 O ASP A 71 30.323 21.607 16.167 1.00 25.34 O ATOM 1103 CB ASP A 71 33.643 22.410 15.747 1.00 3.12 C ATOM 1104 CG ASP A 71 34.981 21.815 15.370 1.00 32.33 C ATOM 1105 OD1 ASP A 71 35.396 20.821 15.999 1.00 55.22 O ATOM 1106 OD2 ASP A 71 35.634 22.350 14.448 1.00 43.24 O ATOM 0 H ASP A 71 33.110 22.601 13.298 1.00 4.40 H new ATOM 0 HA ASP A 71 32.488 20.640 15.321 1.00 51.42 H new ATOM 0 HB2 ASP A 71 33.630 23.465 15.472 1.00 3.12 H new ATOM 0 HB3 ASP A 71 33.523 22.362 16.829 1.00 3.12 H new ATOM 1111 N GLU A 72 31.008 23.601 15.382 1.00 53.51 N ATOM 1112 CA GLU A 72 29.896 24.340 15.963 1.00 25.43 C ATOM 1113 C GLU A 72 28.646 24.222 15.105 1.00 33.41 C ATOM 1114 O GLU A 72 27.527 24.297 15.608 1.00 73.40 O ATOM 1115 CB GLU A 72 30.282 25.808 16.146 1.00 22.45 C ATOM 1116 CG GLU A 72 31.528 25.996 16.995 1.00 12.13 C ATOM 1117 CD GLU A 72 31.413 25.335 18.354 1.00 21.13 C ATOM 1118 OE1 GLU A 72 30.919 25.987 19.297 1.00 34.31 O ATOM 1119 OE2 GLU A 72 31.809 24.159 18.485 1.00 21.12 O ATOM 0 H GLU A 72 31.635 24.164 14.807 1.00 53.51 H new ATOM 0 HA GLU A 72 29.672 23.907 16.938 1.00 25.43 H new ATOM 0 HB2 GLU A 72 30.445 26.259 15.167 1.00 22.45 H new ATOM 0 HB3 GLU A 72 29.451 26.341 16.608 1.00 22.45 H new ATOM 0 HG2 GLU A 72 32.388 25.585 16.467 1.00 12.13 H new ATOM 0 HG3 GLU A 72 31.715 27.062 17.128 1.00 12.13 H new ATOM 1126 N LEU A 73 28.840 24.039 13.811 1.00 73.25 N ATOM 1127 CA LEU A 73 27.727 23.890 12.891 1.00 13.42 C ATOM 1128 C LEU A 73 27.516 22.415 12.563 1.00 3.21 C ATOM 1129 O LEU A 73 28.483 21.662 12.441 1.00 21.12 O ATOM 1130 CB LEU A 73 27.986 24.687 11.611 1.00 45.25 C ATOM 1131 CG LEU A 73 28.123 26.201 11.797 1.00 34.40 C ATOM 1132 CD1 LEU A 73 28.528 26.861 10.489 1.00 1.43 C ATOM 1133 CD2 LEU A 73 26.820 26.797 12.309 1.00 14.24 C ATOM 0 H LEU A 73 29.760 23.990 13.373 1.00 73.25 H new ATOM 0 HA LEU A 73 26.825 24.278 13.364 1.00 13.42 H new ATOM 0 HB2 LEU A 73 28.898 24.311 11.147 1.00 45.25 H new ATOM 0 HB3 LEU A 73 27.171 24.496 10.913 1.00 45.25 H new ATOM 0 HG LEU A 73 28.902 26.387 12.537 1.00 34.40 H new ATOM 0 HD11 LEU A 73 28.621 27.937 10.638 1.00 1.43 H new ATOM 0 HD12 LEU A 73 29.484 26.456 10.158 1.00 1.43 H new ATOM 0 HD13 LEU A 73 27.769 26.664 9.732 1.00 1.43 H new ATOM 0 HD21 LEU A 73 26.937 27.873 12.435 1.00 14.24 H new ATOM 0 HD22 LEU A 73 26.023 26.600 11.592 1.00 14.24 H new ATOM 0 HD23 LEU A 73 26.565 26.345 13.268 1.00 14.24 H new ATOM 1145 N PRO A 74 26.257 21.975 12.428 1.00 15.30 N ATOM 1146 CA PRO A 74 25.081 22.837 12.581 1.00 74.21 C ATOM 1147 C PRO A 74 24.743 23.124 14.045 1.00 3.21 C ATOM 1148 O PRO A 74 24.620 22.208 14.858 1.00 20.44 O ATOM 1149 CB PRO A 74 23.971 22.019 11.924 1.00 52.45 C ATOM 1150 CG PRO A 74 24.379 20.599 12.123 1.00 33.51 C ATOM 1151 CD PRO A 74 25.884 20.584 12.107 1.00 1.34 C ATOM 0 HA PRO A 74 25.234 23.821 12.137 1.00 74.21 H new ATOM 0 HB2 PRO A 74 23.004 22.222 12.385 1.00 52.45 H new ATOM 0 HB3 PRO A 74 23.876 22.259 10.865 1.00 52.45 H new ATOM 0 HG2 PRO A 74 23.997 20.214 13.068 1.00 33.51 H new ATOM 0 HG3 PRO A 74 23.976 19.965 11.334 1.00 33.51 H new ATOM 0 HD2 PRO A 74 26.284 19.884 12.840 1.00 1.34 H new ATOM 0 HD3 PRO A 74 26.270 20.281 11.134 1.00 1.34 H new ATOM 1159 N SER A 75 24.597 24.400 14.372 1.00 34.34 N ATOM 1160 CA SER A 75 24.280 24.813 15.731 1.00 31.40 C ATOM 1161 C SER A 75 22.795 24.606 16.026 1.00 52.02 C ATOM 1162 O SER A 75 21.964 24.691 15.121 1.00 0.30 O ATOM 1163 CB SER A 75 24.657 26.282 15.920 1.00 31.21 C ATOM 1164 OG SER A 75 26.003 26.506 15.539 1.00 22.13 O ATOM 0 H SER A 75 24.694 25.171 13.711 1.00 34.34 H new ATOM 0 HA SER A 75 24.853 24.201 16.428 1.00 31.40 H new ATOM 0 HB2 SER A 75 23.996 26.912 15.325 1.00 31.21 H new ATOM 0 HB3 SER A 75 24.516 26.568 16.962 1.00 31.21 H new ATOM 0 HG SER A 75 26.520 25.683 15.663 1.00 22.13 H new ATOM 1170 N PRO A 76 22.448 24.323 17.297 1.00 45.34 N ATOM 1171 CA PRO A 76 21.055 24.123 17.725 1.00 5.21 C ATOM 1172 C PRO A 76 20.131 25.252 17.271 1.00 44.52 C ATOM 1173 O PRO A 76 19.003 25.004 16.852 1.00 51.42 O ATOM 1174 CB PRO A 76 21.156 24.095 19.251 1.00 72.21 C ATOM 1175 CG PRO A 76 22.534 23.609 19.526 1.00 41.55 C ATOM 1176 CD PRO A 76 23.393 24.152 18.418 1.00 65.15 C ATOM 0 HA PRO A 76 20.624 23.220 17.293 1.00 5.21 H new ATOM 0 HB2 PRO A 76 20.992 25.085 19.677 1.00 72.21 H new ATOM 0 HB3 PRO A 76 20.408 23.432 19.686 1.00 72.21 H new ATOM 0 HG2 PRO A 76 22.884 23.957 20.498 1.00 41.55 H new ATOM 0 HG3 PRO A 76 22.567 22.520 19.547 1.00 41.55 H new ATOM 0 HD2 PRO A 76 23.858 25.097 18.698 1.00 65.15 H new ATOM 0 HD3 PRO A 76 24.199 23.464 18.162 1.00 65.15 H new ATOM 1184 N GLU A 77 20.629 26.485 17.342 1.00 41.22 N ATOM 1185 CA GLU A 77 19.862 27.657 16.919 1.00 22.44 C ATOM 1186 C GLU A 77 19.454 27.537 15.452 1.00 43.15 C ATOM 1187 O GLU A 77 18.315 27.822 15.078 1.00 12.42 O ATOM 1188 CB GLU A 77 20.697 28.925 17.112 1.00 61.33 C ATOM 1189 CG GLU A 77 19.938 30.207 16.810 1.00 22.41 C ATOM 1190 CD GLU A 77 18.917 30.542 17.875 1.00 43.51 C ATOM 1191 OE1 GLU A 77 17.836 29.921 17.894 1.00 23.01 O ATOM 1192 OE2 GLU A 77 19.199 31.426 18.711 1.00 3.44 O ATOM 0 H GLU A 77 21.564 26.700 17.690 1.00 41.22 H new ATOM 0 HA GLU A 77 18.962 27.714 17.531 1.00 22.44 H new ATOM 0 HB2 GLU A 77 21.057 28.960 18.140 1.00 61.33 H new ATOM 0 HB3 GLU A 77 21.575 28.873 16.469 1.00 61.33 H new ATOM 0 HG2 GLU A 77 20.646 31.031 16.718 1.00 22.41 H new ATOM 0 HG3 GLU A 77 19.435 30.109 15.848 1.00 22.41 H new ATOM 1199 N ASP A 78 20.397 27.098 14.629 1.00 64.10 N ATOM 1200 CA ASP A 78 20.180 26.981 13.193 1.00 20.24 C ATOM 1201 C ASP A 78 19.192 25.854 12.908 1.00 23.41 C ATOM 1202 O ASP A 78 18.231 26.013 12.143 1.00 70.25 O ATOM 1203 CB ASP A 78 21.516 26.712 12.493 1.00 74.32 C ATOM 1204 CG ASP A 78 21.572 27.296 11.097 1.00 33.44 C ATOM 1205 OD1 ASP A 78 21.133 26.625 10.148 1.00 35.31 O ATOM 1206 OD2 ASP A 78 22.044 28.446 10.955 1.00 54.10 O ATOM 0 H ASP A 78 21.328 26.815 14.935 1.00 64.10 H new ATOM 0 HA ASP A 78 19.763 27.913 12.811 1.00 20.24 H new ATOM 0 HB2 ASP A 78 22.326 27.131 13.091 1.00 74.32 H new ATOM 0 HB3 ASP A 78 21.683 25.636 12.439 1.00 74.32 H new ATOM 1211 N VAL A 79 19.425 24.721 13.569 1.00 70.42 N ATOM 1212 CA VAL A 79 18.560 23.555 13.443 1.00 65.40 C ATOM 1213 C VAL A 79 17.133 23.896 13.861 1.00 5.45 C ATOM 1214 O VAL A 79 16.177 23.509 13.195 1.00 24.20 O ATOM 1215 CB VAL A 79 19.077 22.374 14.293 1.00 45.54 C ATOM 1216 CG1 VAL A 79 18.180 21.153 14.136 1.00 25.41 C ATOM 1217 CG2 VAL A 79 20.511 22.032 13.917 1.00 2.33 C ATOM 0 H VAL A 79 20.214 24.588 14.202 1.00 70.42 H new ATOM 0 HA VAL A 79 18.568 23.257 12.395 1.00 65.40 H new ATOM 0 HB VAL A 79 19.055 22.678 15.340 1.00 45.54 H new ATOM 0 HG11 VAL A 79 18.567 20.336 14.745 1.00 25.41 H new ATOM 0 HG12 VAL A 79 17.169 21.400 14.460 1.00 25.41 H new ATOM 0 HG13 VAL A 79 18.161 20.848 13.090 1.00 25.41 H new ATOM 0 HG21 VAL A 79 20.858 21.198 14.527 1.00 2.33 H new ATOM 0 HG22 VAL A 79 20.555 21.755 12.864 1.00 2.33 H new ATOM 0 HG23 VAL A 79 21.149 22.898 14.091 1.00 2.33 H new ATOM 1227 N GLU A 80 16.998 24.629 14.959 1.00 62.32 N ATOM 1228 CA GLU A 80 15.691 25.064 15.431 1.00 15.51 C ATOM 1229 C GLU A 80 14.996 25.941 14.401 1.00 42.51 C ATOM 1230 O GLU A 80 13.792 25.791 14.158 1.00 73.11 O ATOM 1231 CB GLU A 80 15.819 25.812 16.756 1.00 72.14 C ATOM 1232 CG GLU A 80 15.641 24.917 17.967 1.00 41.52 C ATOM 1233 CD GLU A 80 14.232 24.373 18.065 1.00 51.12 C ATOM 1234 OE1 GLU A 80 13.933 23.341 17.426 1.00 23.22 O ATOM 1235 OE2 GLU A 80 13.407 24.982 18.773 1.00 11.14 O ATOM 0 H GLU A 80 17.779 24.935 15.539 1.00 62.32 H new ATOM 0 HA GLU A 80 15.082 24.173 15.586 1.00 15.51 H new ATOM 0 HB2 GLU A 80 16.799 26.287 16.804 1.00 72.14 H new ATOM 0 HB3 GLU A 80 15.076 26.609 16.789 1.00 72.14 H new ATOM 0 HG2 GLU A 80 16.347 24.088 17.913 1.00 41.52 H new ATOM 0 HG3 GLU A 80 15.877 25.478 18.871 1.00 41.52 H new ATOM 1242 N ARG A 81 15.757 26.845 13.793 1.00 50.40 N ATOM 1243 CA ARG A 81 15.224 27.734 12.771 1.00 73.35 C ATOM 1244 C ARG A 81 14.630 26.928 11.626 1.00 24.52 C ATOM 1245 O ARG A 81 13.459 27.096 11.279 1.00 72.03 O ATOM 1246 CB ARG A 81 16.317 28.654 12.226 1.00 51.11 C ATOM 1247 CG ARG A 81 15.790 29.762 11.323 1.00 33.12 C ATOM 1248 CD ARG A 81 16.883 30.320 10.423 1.00 12.04 C ATOM 1249 NE ARG A 81 18.098 30.651 11.165 1.00 54.21 N ATOM 1250 CZ ARG A 81 19.266 30.035 10.971 1.00 1.12 C ATOM 1251 NH1 ARG A 81 19.378 29.096 10.043 1.00 25.34 N ATOM 1252 NH2 ARG A 81 20.330 30.365 11.691 1.00 65.00 N ATOM 0 H ARG A 81 16.748 26.980 13.992 1.00 50.40 H new ATOM 0 HA ARG A 81 14.445 28.342 13.230 1.00 73.35 H new ATOM 0 HB2 ARG A 81 16.852 29.103 13.063 1.00 51.11 H new ATOM 0 HB3 ARG A 81 17.039 28.056 11.670 1.00 51.11 H new ATOM 0 HG2 ARG A 81 14.975 29.376 10.710 1.00 33.12 H new ATOM 0 HG3 ARG A 81 15.377 30.564 11.934 1.00 33.12 H new ATOM 0 HD2 ARG A 81 17.120 29.591 9.649 1.00 12.04 H new ATOM 0 HD3 ARG A 81 16.514 31.213 9.918 1.00 12.04 H new ATOM 0 HE ARG A 81 18.051 31.390 11.866 1.00 54.21 H new ATOM 0 HH11 ARG A 81 18.570 28.842 9.474 1.00 25.34 H new ATOM 0 HH12 ARG A 81 20.272 28.627 9.897 1.00 25.34 H new ATOM 0 HH21 ARG A 81 20.260 31.095 12.400 1.00 65.00 H new ATOM 0 HH22 ARG A 81 21.219 29.889 11.536 1.00 65.00 H new ATOM 1266 N VAL A 82 15.435 26.035 11.053 1.00 32.54 N ATOM 1267 CA VAL A 82 14.986 25.241 9.913 1.00 71.44 C ATOM 1268 C VAL A 82 13.864 24.281 10.325 1.00 64.30 C ATOM 1269 O VAL A 82 12.945 24.018 9.550 1.00 33.50 O ATOM 1270 CB VAL A 82 16.148 24.445 9.265 1.00 10.34 C ATOM 1271 CG1 VAL A 82 16.467 23.174 10.040 1.00 44.34 C ATOM 1272 CG2 VAL A 82 15.831 24.124 7.815 1.00 23.43 C ATOM 0 H VAL A 82 16.390 25.845 11.356 1.00 32.54 H new ATOM 0 HA VAL A 82 14.604 25.941 9.170 1.00 71.44 H new ATOM 0 HB VAL A 82 17.036 25.077 9.298 1.00 10.34 H new ATOM 0 HG11 VAL A 82 17.287 22.646 9.552 1.00 44.34 H new ATOM 0 HG12 VAL A 82 16.757 23.432 11.059 1.00 44.34 H new ATOM 0 HG13 VAL A 82 15.586 22.532 10.065 1.00 44.34 H new ATOM 0 HG21 VAL A 82 16.658 23.565 7.377 1.00 23.43 H new ATOM 0 HG22 VAL A 82 14.922 23.525 7.765 1.00 23.43 H new ATOM 0 HG23 VAL A 82 15.686 25.051 7.261 1.00 23.43 H new ATOM 1282 N ARG A 83 13.932 23.789 11.558 1.00 12.43 N ATOM 1283 CA ARG A 83 12.964 22.823 12.063 1.00 22.25 C ATOM 1284 C ARG A 83 11.582 23.458 12.157 1.00 63.13 C ATOM 1285 O ARG A 83 10.582 22.844 11.795 1.00 31.24 O ATOM 1286 CB ARG A 83 13.413 22.306 13.435 1.00 63.22 C ATOM 1287 CG ARG A 83 12.733 21.018 13.876 1.00 61.31 C ATOM 1288 CD ARG A 83 13.319 20.510 15.186 1.00 74.43 C ATOM 1289 NE ARG A 83 12.888 19.144 15.495 1.00 41.44 N ATOM 1290 CZ ARG A 83 13.480 18.363 16.403 1.00 73.12 C ATOM 1291 NH1 ARG A 83 14.493 18.826 17.129 1.00 20.14 N ATOM 1292 NH2 ARG A 83 13.053 17.121 16.594 1.00 15.30 N ATOM 0 H ARG A 83 14.654 24.047 12.231 1.00 12.43 H new ATOM 0 HA ARG A 83 12.907 21.982 11.372 1.00 22.25 H new ATOM 0 HB2 ARG A 83 14.491 22.144 13.414 1.00 63.22 H new ATOM 0 HB3 ARG A 83 13.221 23.077 14.181 1.00 63.22 H new ATOM 0 HG2 ARG A 83 11.663 21.190 13.995 1.00 61.31 H new ATOM 0 HG3 ARG A 83 12.850 20.258 13.103 1.00 61.31 H new ATOM 0 HD2 ARG A 83 14.407 20.542 15.131 1.00 74.43 H new ATOM 0 HD3 ARG A 83 13.021 21.175 15.997 1.00 74.43 H new ATOM 0 HE ARG A 83 12.088 18.767 14.986 1.00 41.44 H new ATOM 0 HH11 ARG A 83 14.822 19.782 16.994 1.00 20.14 H new ATOM 0 HH12 ARG A 83 14.941 18.225 17.821 1.00 20.14 H new ATOM 0 HH21 ARG A 83 12.271 16.761 16.047 1.00 15.30 H new ATOM 0 HH22 ARG A 83 13.507 16.527 17.288 1.00 15.30 H new ATOM 1306 N ALA A 84 11.538 24.698 12.626 1.00 12.14 N ATOM 1307 CA ALA A 84 10.281 25.424 12.739 1.00 60.24 C ATOM 1308 C ALA A 84 9.811 25.900 11.368 1.00 70.42 C ATOM 1309 O ALA A 84 8.628 25.808 11.037 1.00 23.24 O ATOM 1310 CB ALA A 84 10.432 26.603 13.689 1.00 63.52 C ATOM 0 H ALA A 84 12.358 25.221 12.934 1.00 12.14 H new ATOM 0 HA ALA A 84 9.528 24.747 13.144 1.00 60.24 H new ATOM 0 HB1 ALA A 84 9.483 27.135 13.762 1.00 63.52 H new ATOM 0 HB2 ALA A 84 10.722 26.241 14.675 1.00 63.52 H new ATOM 0 HB3 ALA A 84 11.199 27.279 13.311 1.00 63.52 H new ATOM 1316 N ARG A 85 10.755 26.391 10.571 1.00 4.11 N ATOM 1317 CA ARG A 85 10.461 26.905 9.237 1.00 74.14 C ATOM 1318 C ARG A 85 9.837 25.829 8.350 1.00 31.20 C ATOM 1319 O ARG A 85 8.824 26.062 7.694 1.00 12.24 O ATOM 1320 CB ARG A 85 11.747 27.431 8.592 1.00 14.31 C ATOM 1321 CG ARG A 85 11.566 27.949 7.174 1.00 15.44 C ATOM 1322 CD ARG A 85 10.755 29.235 7.133 1.00 12.24 C ATOM 1323 NE ARG A 85 10.588 29.719 5.764 1.00 30.11 N ATOM 1324 CZ ARG A 85 11.191 30.802 5.275 1.00 74.23 C ATOM 1325 NH1 ARG A 85 11.983 31.533 6.054 1.00 74.02 N ATOM 1326 NH2 ARG A 85 11.005 31.144 4.003 1.00 62.23 N ATOM 0 H ARG A 85 11.740 26.444 10.829 1.00 4.11 H new ATOM 0 HA ARG A 85 9.741 27.717 9.337 1.00 74.14 H new ATOM 0 HB2 ARG A 85 12.149 28.233 9.211 1.00 14.31 H new ATOM 0 HB3 ARG A 85 12.489 26.632 8.583 1.00 14.31 H new ATOM 0 HG2 ARG A 85 12.544 28.123 6.725 1.00 15.44 H new ATOM 0 HG3 ARG A 85 11.069 27.188 6.571 1.00 15.44 H new ATOM 0 HD2 ARG A 85 9.776 29.064 7.581 1.00 12.24 H new ATOM 0 HD3 ARG A 85 11.251 29.999 7.732 1.00 12.24 H new ATOM 0 HE ARG A 85 9.971 29.195 5.144 1.00 30.11 H new ATOM 0 HH11 ARG A 85 12.130 31.265 7.027 1.00 74.02 H new ATOM 0 HH12 ARG A 85 12.444 32.362 5.678 1.00 74.02 H new ATOM 0 HH21 ARG A 85 10.402 30.578 3.406 1.00 62.23 H new ATOM 0 HH22 ARG A 85 11.465 31.972 3.625 1.00 62.23 H new ATOM 1340 N LEU A 86 10.442 24.650 8.345 1.00 63.41 N ATOM 1341 CA LEU A 86 10.002 23.561 7.479 1.00 3.23 C ATOM 1342 C LEU A 86 8.725 22.909 8.001 1.00 51.33 C ATOM 1343 O LEU A 86 7.930 22.386 7.217 1.00 11.12 O ATOM 1344 CB LEU A 86 11.114 22.516 7.333 1.00 64.25 C ATOM 1345 CG LEU A 86 12.131 22.777 6.209 1.00 51.31 C ATOM 1346 CD1 LEU A 86 11.491 22.539 4.851 1.00 63.43 C ATOM 1347 CD2 LEU A 86 12.684 24.192 6.281 1.00 3.31 C ATOM 0 H LEU A 86 11.243 24.421 8.933 1.00 63.41 H new ATOM 0 HA LEU A 86 9.780 23.984 6.499 1.00 3.23 H new ATOM 0 HB2 LEU A 86 11.653 22.452 8.278 1.00 64.25 H new ATOM 0 HB3 LEU A 86 10.653 21.543 7.162 1.00 64.25 H new ATOM 0 HG LEU A 86 12.959 22.081 6.342 1.00 51.31 H new ATOM 0 HD11 LEU A 86 12.223 22.728 4.066 1.00 63.43 H new ATOM 0 HD12 LEU A 86 11.148 21.506 4.787 1.00 63.43 H new ATOM 0 HD13 LEU A 86 10.643 23.212 4.726 1.00 63.43 H new ATOM 0 HD21 LEU A 86 13.400 24.344 5.473 1.00 3.31 H new ATOM 0 HD22 LEU A 86 11.867 24.907 6.182 1.00 3.31 H new ATOM 0 HD23 LEU A 86 13.182 24.340 7.239 1.00 3.31 H new ATOM 1359 N ALA A 87 8.519 22.961 9.313 1.00 64.31 N ATOM 1360 CA ALA A 87 7.342 22.358 9.945 1.00 55.30 C ATOM 1361 C ALA A 87 6.054 23.027 9.473 1.00 40.51 C ATOM 1362 O ALA A 87 4.978 22.421 9.494 1.00 60.31 O ATOM 1363 CB ALA A 87 7.449 22.432 11.459 1.00 2.20 C ATOM 0 H ALA A 87 9.155 23.417 9.967 1.00 64.31 H new ATOM 0 HA ALA A 87 7.308 21.310 9.647 1.00 55.30 H new ATOM 0 HB1 ALA A 87 6.565 21.979 11.909 1.00 2.20 H new ATOM 0 HB2 ALA A 87 8.339 21.895 11.788 1.00 2.20 H new ATOM 0 HB3 ALA A 87 7.519 23.475 11.768 1.00 2.20 H new ATOM 1369 N ALA A 88 6.168 24.275 9.036 1.00 12.20 N ATOM 1370 CA ALA A 88 5.016 25.036 8.570 1.00 35.54 C ATOM 1371 C ALA A 88 4.459 24.474 7.262 1.00 70.35 C ATOM 1372 O ALA A 88 3.349 24.819 6.854 1.00 34.21 O ATOM 1373 CB ALA A 88 5.390 26.501 8.398 1.00 1.20 C ATOM 0 H ALA A 88 7.051 24.783 8.995 1.00 12.20 H new ATOM 0 HA ALA A 88 4.234 24.951 9.325 1.00 35.54 H new ATOM 0 HB1 ALA A 88 4.521 27.060 8.049 1.00 1.20 H new ATOM 0 HB2 ALA A 88 5.723 26.906 9.354 1.00 1.20 H new ATOM 0 HB3 ALA A 88 6.194 26.588 7.667 1.00 1.20 H new ATOM 1379 N GLN A 89 5.232 23.612 6.607 1.00 43.22 N ATOM 1380 CA GLN A 89 4.799 22.998 5.355 1.00 34.15 C ATOM 1381 C GLN A 89 4.589 21.497 5.535 1.00 43.51 C ATOM 1382 O GLN A 89 4.451 20.757 4.559 1.00 25.11 O ATOM 1383 CB GLN A 89 5.815 23.248 4.228 1.00 71.20 C ATOM 1384 CG GLN A 89 5.914 24.704 3.773 1.00 64.44 C ATOM 1385 CD GLN A 89 6.615 25.621 4.767 1.00 71.20 C ATOM 1386 OE1 GLN A 89 6.280 26.799 4.880 1.00 75.44 O ATOM 1387 NE2 GLN A 89 7.614 25.104 5.467 1.00 62.23 N ATOM 0 H GLN A 89 6.159 23.323 6.921 1.00 43.22 H new ATOM 0 HA GLN A 89 3.852 23.460 5.075 1.00 34.15 H new ATOM 0 HB2 GLN A 89 6.798 22.918 4.563 1.00 71.20 H new ATOM 0 HB3 GLN A 89 5.547 22.630 3.371 1.00 71.20 H new ATOM 0 HG2 GLN A 89 6.447 24.741 2.823 1.00 64.44 H new ATOM 0 HG3 GLN A 89 4.909 25.085 3.590 1.00 64.44 H new ATOM 0 HE21 GLN A 89 7.865 24.123 5.349 1.00 62.23 H new ATOM 0 HE22 GLN A 89 8.132 25.687 6.124 1.00 62.23 H new ATOM 1396 N GLY A 90 4.564 21.056 6.785 1.00 41.15 N ATOM 1397 CA GLY A 90 4.362 19.650 7.072 1.00 31.11 C ATOM 1398 C GLY A 90 5.617 18.991 7.603 1.00 31.14 C ATOM 1399 O GLY A 90 6.720 19.499 7.406 1.00 41.14 O ATOM 0 H GLY A 90 4.680 21.648 7.607 1.00 41.15 H new ATOM 0 HA2 GLY A 90 3.559 19.541 7.802 1.00 31.11 H new ATOM 0 HA3 GLY A 90 4.040 19.138 6.165 1.00 31.11 H new ATOM 1403 N TRP A 91 5.455 17.863 8.277 1.00 1.05 N ATOM 1404 CA TRP A 91 6.590 17.160 8.852 1.00 21.13 C ATOM 1405 C TRP A 91 6.572 15.688 8.445 1.00 24.15 C ATOM 1406 O TRP A 91 5.887 14.874 9.061 1.00 54.32 O ATOM 1407 CB TRP A 91 6.570 17.292 10.377 1.00 54.31 C ATOM 1408 CG TRP A 91 7.902 17.052 11.011 1.00 20.42 C ATOM 1409 CD1 TRP A 91 8.298 15.952 11.716 1.00 65.12 C ATOM 1410 CD2 TRP A 91 9.022 17.941 10.988 1.00 12.15 C ATOM 1411 NE1 TRP A 91 9.593 16.110 12.140 1.00 72.51 N ATOM 1412 CE2 TRP A 91 10.061 17.321 11.703 1.00 54.41 C ATOM 1413 CE3 TRP A 91 9.245 19.204 10.429 1.00 43.04 C ATOM 1414 CZ2 TRP A 91 11.304 17.920 11.873 1.00 22.23 C ATOM 1415 CZ3 TRP A 91 10.481 19.796 10.599 1.00 21.42 C ATOM 1416 CH2 TRP A 91 11.496 19.153 11.314 1.00 15.43 C ATOM 0 H TRP A 91 4.552 17.417 8.439 1.00 1.05 H new ATOM 0 HA TRP A 91 7.508 17.609 8.471 1.00 21.13 H new ATOM 0 HB2 TRP A 91 6.224 18.291 10.643 1.00 54.31 H new ATOM 0 HB3 TRP A 91 5.848 16.585 10.786 1.00 54.31 H new ATOM 0 HD1 TRP A 91 7.683 15.086 11.911 1.00 65.12 H new ATOM 0 HE1 TRP A 91 10.122 15.435 12.692 1.00 72.51 H new ATOM 0 HE3 TRP A 91 8.466 19.706 9.875 1.00 43.04 H new ATOM 0 HZ2 TRP A 91 12.090 17.429 12.427 1.00 22.23 H new ATOM 0 HZ3 TRP A 91 10.667 20.771 10.173 1.00 21.42 H new ATOM 0 HH2 TRP A 91 12.453 19.641 11.427 1.00 15.43 H new ATOM 1427 N PRO A 92 7.303 15.336 7.378 1.00 64.14 N ATOM 1428 CA PRO A 92 7.370 13.967 6.876 1.00 60.55 C ATOM 1429 C PRO A 92 8.522 13.158 7.479 1.00 0.42 C ATOM 1430 O PRO A 92 8.925 12.134 6.930 1.00 12.41 O ATOM 1431 CB PRO A 92 7.599 14.190 5.384 1.00 45.11 C ATOM 1432 CG PRO A 92 8.410 15.444 5.304 1.00 23.52 C ATOM 1433 CD PRO A 92 8.102 16.253 6.546 1.00 20.11 C ATOM 0 HA PRO A 92 6.480 13.389 7.126 1.00 60.55 H new ATOM 0 HB2 PRO A 92 8.127 13.349 4.935 1.00 45.11 H new ATOM 0 HB3 PRO A 92 6.654 14.295 4.850 1.00 45.11 H new ATOM 0 HG2 PRO A 92 9.474 15.212 5.249 1.00 23.52 H new ATOM 0 HG3 PRO A 92 8.160 16.008 4.405 1.00 23.52 H new ATOM 0 HD2 PRO A 92 9.014 16.564 7.056 1.00 20.11 H new ATOM 0 HD3 PRO A 92 7.547 17.160 6.305 1.00 20.11 H new ATOM 1441 N LEU A 93 9.047 13.616 8.608 1.00 21.21 N ATOM 1442 CA LEU A 93 10.164 12.933 9.251 1.00 44.02 C ATOM 1443 C LEU A 93 9.676 11.739 10.058 1.00 73.14 C ATOM 1444 O LEU A 93 10.272 10.662 10.007 1.00 62.40 O ATOM 1445 CB LEU A 93 10.962 13.882 10.154 1.00 23.12 C ATOM 1446 CG LEU A 93 11.911 14.856 9.441 1.00 64.11 C ATOM 1447 CD1 LEU A 93 12.886 14.103 8.547 1.00 64.22 C ATOM 1448 CD2 LEU A 93 11.134 15.885 8.637 1.00 63.12 C ATOM 0 H LEU A 93 8.721 14.451 9.095 1.00 21.21 H new ATOM 0 HA LEU A 93 10.825 12.580 8.459 1.00 44.02 H new ATOM 0 HB2 LEU A 93 10.257 14.463 10.748 1.00 23.12 H new ATOM 0 HB3 LEU A 93 11.547 13.281 10.851 1.00 23.12 H new ATOM 0 HG LEU A 93 12.483 15.385 10.204 1.00 64.11 H new ATOM 0 HD11 LEU A 93 13.548 14.813 8.052 1.00 64.22 H new ATOM 0 HD12 LEU A 93 13.478 13.416 9.152 1.00 64.22 H new ATOM 0 HD13 LEU A 93 12.331 13.540 7.796 1.00 64.22 H new ATOM 0 HD21 LEU A 93 11.831 16.562 8.143 1.00 63.12 H new ATOM 0 HD22 LEU A 93 10.527 15.378 7.887 1.00 63.12 H new ATOM 0 HD23 LEU A 93 10.486 16.454 9.304 1.00 63.12 H new