USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 121:sc= 0.668 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.599 USER MOD Set 2.1: A 7 THR OG1 : rot -88:sc= 0.993 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -166:sc=-0.00871 (180deg=-0.243) USER MOD Single : A 1 MET N :NH3+ -149:sc= 1.31 (180deg=0.871) USER MOD Single : A 2 GLN : amide:sc= -0.256 K(o=-0.26,f=-1.4) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.105) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -86:sc= 0.259 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= 0.189 (180deg=0.124) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc=-0.000497 (180deg=-0.0601) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.142 F(o=-2!,f=-0.14) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 150:sc= 0.306 USER MOD Single : A 60 ASN : amide:sc= -0.155 K(o=-0.15,f=-2.1!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 100:sc= 0.00685 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.302 24.668 2.750 1.00 49.53 N ATOM 2 CA MET A 1 26.184 25.592 3.011 1.00 50.07 C ATOM 3 C MET A 1 26.782 26.931 3.507 1.00 50.51 C ATOM 4 O MET A 1 27.976 26.974 3.803 1.00 49.49 O ATOM 5 CB MET A 1 25.230 25.005 4.050 1.00 49.82 C ATOM 6 CG MET A 1 24.623 23.665 3.660 1.00 49.86 C ATOM 7 SD MET A 1 23.635 23.760 2.153 1.00 49.91 S ATOM 8 CE MET A 1 22.239 24.723 2.724 1.00 49.78 C ATOM 0 H1 MET A 1 27.045 24.021 1.977 1.00 49.53 H new ATOM 0 H2 MET A 1 28.146 25.212 2.480 1.00 49.53 H new ATOM 0 H3 MET A 1 27.505 24.117 3.609 1.00 49.53 H new ATOM 0 HA MET A 1 25.608 25.754 2.100 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.766 24.887 4.992 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.424 25.717 4.229 1.00 49.82 H new ATOM 0 HG2 MET A 1 25.421 22.936 3.521 1.00 49.86 H new ATOM 0 HG3 MET A 1 23.999 23.302 4.477 1.00 49.86 H new ATOM 0 HE1 MET A 1 21.431 24.660 1.995 1.00 49.78 H new ATOM 0 HE2 MET A 1 21.895 24.333 3.682 1.00 49.78 H new ATOM 0 HE3 MET A 1 22.539 25.764 2.843 1.00 49.78 H new ATOM 18 N GLN A 2 25.927 27.907 3.564 1.00 49.53 N ATOM 19 CA GLN A 2 26.383 29.241 4.067 1.00 50.07 C ATOM 20 C GLN A 2 25.617 29.412 5.371 1.00 50.51 C ATOM 21 O GLN A 2 24.426 29.024 5.519 1.00 49.49 O ATOM 22 CB GLN A 2 26.043 30.361 3.079 1.00 49.82 C ATOM 23 CG GLN A 2 26.319 31.760 3.604 1.00 49.82 C ATOM 24 CD GLN A 2 26.286 32.807 2.508 1.00 50.55 C ATOM 25 OE1 GLN A 2 26.157 32.483 1.324 1.00 49.45 O ATOM 26 NE2 GLN A 2 26.406 34.071 2.895 1.00 49.38 N ATOM 0 H GLN A 2 24.946 27.849 3.291 1.00 49.53 H new ATOM 0 HA GLN A 2 27.464 29.291 4.197 1.00 50.07 H new ATOM 0 HB2 GLN A 2 26.615 30.209 2.164 1.00 49.82 H new ATOM 0 HB3 GLN A 2 24.989 30.287 2.812 1.00 49.82 H new ATOM 0 HG2 GLN A 2 25.580 32.012 4.365 1.00 49.82 H new ATOM 0 HG3 GLN A 2 27.295 31.777 4.089 1.00 49.82 H new ATOM 0 HE21 GLN A 2 26.511 34.294 3.885 1.00 49.38 H new ATOM 0 HE22 GLN A 2 26.394 34.820 2.202 1.00 49.38 H new ATOM 35 N ILE A 3 26.312 29.945 6.365 1.00 49.53 N ATOM 36 CA ILE A 3 25.659 30.303 7.638 1.00 50.07 C ATOM 37 C ILE A 3 26.394 31.592 8.112 1.00 50.51 C ATOM 38 O ILE A 3 27.469 31.819 7.583 1.00 49.49 O ATOM 39 CB ILE A 3 25.791 29.194 8.698 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.242 29.080 9.174 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.303 27.866 8.143 1.00 49.73 C ATOM 42 CD1 ILE A 3 27.582 29.999 10.326 1.00 49.73 C ATOM 0 H ILE A 3 27.312 30.141 6.328 1.00 49.53 H new ATOM 0 HA ILE A 3 24.588 30.448 7.499 1.00 50.07 H new ATOM 0 HB ILE A 3 25.168 29.457 9.553 1.00 49.91 H new ATOM 0 HG12 ILE A 3 27.436 28.050 9.474 1.00 49.82 H new ATOM 0 HG13 ILE A 3 27.907 29.299 8.338 1.00 49.82 H new ATOM 0 HG21 ILE A 3 25.404 27.094 8.906 1.00 49.73 H new ATOM 0 HG22 ILE A 3 24.256 27.955 7.853 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.899 27.595 7.271 1.00 49.73 H new ATOM 0 HD11 ILE A 3 28.626 29.860 10.606 1.00 49.73 H new ATOM 0 HD12 ILE A 3 27.422 31.034 10.025 1.00 49.73 H new ATOM 0 HD13 ILE A 3 26.944 29.766 11.178 1.00 49.73 H new ATOM 54 N PHE A 4 25.735 32.266 9.024 1.00 49.53 N ATOM 55 CA PHE A 4 26.376 33.528 9.553 1.00 50.07 C ATOM 56 C PHE A 4 26.681 33.359 11.016 1.00 50.51 C ATOM 57 O PHE A 4 25.862 32.698 11.672 1.00 49.49 O ATOM 58 CB PHE A 4 25.459 34.733 9.335 1.00 49.82 C ATOM 59 CG PHE A 4 25.234 35.069 7.887 1.00 50.00 C ATOM 60 CD1 PHE A 4 26.100 35.917 7.214 1.00 49.88 C ATOM 61 CD2 PHE A 4 24.157 34.535 7.196 1.00 49.88 C ATOM 62 CE1 PHE A 4 25.895 36.229 5.884 1.00 49.88 C ATOM 63 CE2 PHE A 4 23.950 34.842 5.865 1.00 49.88 C ATOM 64 CZ PHE A 4 24.817 35.689 5.209 1.00 49.88 C ATOM 0 H PHE A 4 24.825 32.020 9.414 1.00 49.53 H new ATOM 0 HA PHE A 4 27.304 33.709 9.010 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.496 34.535 9.806 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.888 35.600 9.837 1.00 49.82 H new ATOM 0 HD1 PHE A 4 26.946 36.339 7.736 1.00 49.88 H new ATOM 0 HD2 PHE A 4 23.472 33.872 7.704 1.00 49.88 H new ATOM 0 HE1 PHE A 4 26.576 36.894 5.373 1.00 49.88 H new ATOM 0 HE2 PHE A 4 23.108 34.418 5.338 1.00 49.88 H new ATOM 0 HZ PHE A 4 24.654 35.930 4.169 1.00 49.88 H new ATOM 74 N VAL A 5 27.731 33.959 11.567 1.00 49.53 N ATOM 75 CA VAL A 5 27.999 33.885 12.989 1.00 50.07 C ATOM 76 C VAL A 5 28.237 35.348 13.435 1.00 50.51 C ATOM 77 O VAL A 5 29.361 35.775 13.141 1.00 49.49 O ATOM 78 CB VAL A 5 29.235 33.025 13.311 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.413 32.894 14.817 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.111 31.653 12.669 1.00 49.73 C ATOM 0 H VAL A 5 28.413 34.505 11.040 1.00 49.53 H new ATOM 0 HA VAL A 5 27.167 33.413 13.511 1.00 50.07 H new ATOM 0 HB VAL A 5 30.116 33.519 12.900 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.291 32.283 15.028 1.00 49.73 H new ATOM 0 HG12 VAL A 5 29.545 33.883 15.255 1.00 49.73 H new ATOM 0 HG13 VAL A 5 28.530 32.422 15.248 1.00 49.73 H new ATOM 0 HG21 VAL A 5 29.993 31.059 12.907 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.222 31.152 13.051 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.029 31.763 11.588 1.00 49.73 H new ATOM 90 N LYS A 6 27.257 35.958 14.006 1.00 49.53 N ATOM 91 CA LYS A 6 27.397 37.395 14.429 1.00 50.07 C ATOM 92 C LYS A 6 28.416 37.586 15.518 1.00 50.51 C ATOM 93 O LYS A 6 28.388 36.866 16.543 1.00 49.49 O ATOM 94 CB LYS A 6 26.044 37.948 14.881 1.00 49.82 C ATOM 95 CG LYS A 6 24.998 38.030 13.778 1.00 49.82 C ATOM 96 CD LYS A 6 23.757 38.774 14.247 1.00 49.82 C ATOM 97 CE LYS A 6 24.049 40.250 14.480 1.00 50.21 C ATOM 98 NZ LYS A 6 22.835 40.997 14.905 1.00 49.70 N ATOM 0 H LYS A 6 26.351 35.536 14.208 1.00 49.53 H new ATOM 0 HA LYS A 6 27.751 37.946 13.557 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.659 37.320 15.684 1.00 49.82 H new ATOM 0 HB3 LYS A 6 26.193 38.944 15.298 1.00 49.82 H new ATOM 0 HG2 LYS A 6 25.421 38.535 12.910 1.00 49.82 H new ATOM 0 HG3 LYS A 6 24.723 37.025 13.459 1.00 49.82 H new ATOM 0 HD2 LYS A 6 22.966 38.671 13.504 1.00 49.82 H new ATOM 0 HD3 LYS A 6 23.388 38.325 15.169 1.00 49.82 H new ATOM 0 HE2 LYS A 6 24.822 40.351 15.242 1.00 50.21 H new ATOM 0 HE3 LYS A 6 24.444 40.691 13.565 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 23.077 41.998 15.053 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 22.106 40.923 14.167 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 22.472 40.594 15.792 1.00 49.70 H new ATOM 112 N THR A 7 29.334 38.562 15.342 1.00 49.53 N ATOM 113 CA THR A 7 30.360 38.806 16.367 1.00 50.07 C ATOM 114 C THR A 7 29.831 39.894 17.304 1.00 50.51 C ATOM 115 O THR A 7 28.655 40.241 17.176 1.00 49.49 O ATOM 116 CB THR A 7 31.697 39.257 15.751 1.00 50.14 C ATOM 117 OG1 THR A 7 31.479 40.398 14.911 1.00 49.34 O ATOM 118 CG2 THR A 7 32.310 38.136 14.926 1.00 49.73 C ATOM 0 H THR A 7 29.383 39.173 14.527 1.00 49.53 H new ATOM 0 HA THR A 7 30.554 37.878 16.904 1.00 50.07 H new ATOM 0 HB THR A 7 32.382 39.517 16.559 1.00 50.14 H new ATOM 0 HG1 THR A 7 31.253 40.099 14.005 1.00 49.34 H new ATOM 0 HG21 THR A 7 33.254 38.473 14.499 1.00 49.73 H new ATOM 0 HG22 THR A 7 32.489 37.271 15.564 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.627 37.860 14.123 1.00 49.73 H new ATOM 126 N LEU A 8 30.667 40.423 18.170 1.00 49.53 N ATOM 127 CA LEU A 8 30.218 41.448 19.139 1.00 50.07 C ATOM 128 C LEU A 8 30.968 42.723 18.809 1.00 50.51 C ATOM 129 O LEU A 8 31.299 43.497 19.728 1.00 49.49 O ATOM 130 CB LEU A 8 30.497 40.999 20.579 1.00 49.82 C ATOM 131 CG LEU A 8 29.628 39.839 21.081 1.00 49.91 C ATOM 132 CD1 LEU A 8 30.068 39.422 22.477 1.00 49.73 C ATOM 133 CD2 LEU A 8 28.165 40.262 21.080 1.00 49.73 C ATOM 0 H LEU A 8 31.654 40.176 18.238 1.00 49.53 H new ATOM 0 HA LEU A 8 29.142 41.606 19.066 1.00 50.07 H new ATOM 0 HB2 LEU A 8 31.544 40.707 20.655 1.00 49.82 H new ATOM 0 HB3 LEU A 8 30.355 41.852 21.243 1.00 49.82 H new ATOM 0 HG LEU A 8 29.746 38.983 20.417 1.00 49.91 H new ATOM 0 HD11 LEU A 8 29.445 38.598 22.824 1.00 49.73 H new ATOM 0 HD12 LEU A 8 31.110 39.103 22.450 1.00 49.73 H new ATOM 0 HD13 LEU A 8 29.965 40.267 23.158 1.00 49.73 H new ATOM 0 HD21 LEU A 8 27.548 39.438 21.437 1.00 49.73 H new ATOM 0 HD22 LEU A 8 28.035 41.123 21.736 1.00 49.73 H new ATOM 0 HD23 LEU A 8 27.864 40.529 20.067 1.00 49.73 H new ATOM 145 N THR A 9 31.235 42.975 17.513 1.00 49.53 N ATOM 146 CA THR A 9 31.978 44.251 17.237 1.00 50.07 C ATOM 147 C THR A 9 31.421 45.067 16.112 1.00 50.51 C ATOM 148 O THR A 9 31.738 46.261 15.948 1.00 49.49 O ATOM 149 CB THR A 9 33.464 43.970 16.945 1.00 50.14 C ATOM 150 OG1 THR A 9 33.583 43.222 15.729 1.00 49.34 O ATOM 151 CG2 THR A 9 34.092 43.181 18.085 1.00 49.73 C ATOM 0 H THR A 9 30.987 42.396 16.711 1.00 49.53 H new ATOM 0 HA THR A 9 31.860 44.837 18.148 1.00 50.07 H new ATOM 0 HB THR A 9 33.985 44.922 16.845 1.00 50.14 H new ATOM 0 HG1 THR A 9 34.529 43.046 15.544 1.00 49.34 H new ATOM 0 HG21 THR A 9 35.142 42.992 17.861 1.00 49.73 H new ATOM 0 HG22 THR A 9 34.015 43.754 19.009 1.00 49.73 H new ATOM 0 HG23 THR A 9 33.569 42.232 18.202 1.00 49.73 H new ATOM 159 N GLY A 10 30.581 44.498 15.305 1.00 49.53 N ATOM 160 CA GLY A 10 29.963 45.165 14.180 1.00 49.98 C ATOM 161 C GLY A 10 30.403 44.602 12.862 1.00 50.51 C ATOM 162 O GLY A 10 30.217 45.248 11.806 1.00 49.49 O ATOM 0 H GLY A 10 30.291 43.525 15.406 1.00 49.53 H new ATOM 0 HA2 GLY A 10 28.879 45.081 14.263 1.00 49.98 H new ATOM 0 HA3 GLY A 10 30.204 46.227 14.215 1.00 49.98 H new ATOM 166 N LYS A 11 31.040 43.461 12.901 1.00 49.53 N ATOM 167 CA LYS A 11 31.435 42.742 11.698 1.00 50.07 C ATOM 168 C LYS A 11 30.785 41.340 11.648 1.00 50.51 C ATOM 169 O LYS A 11 31.078 40.561 12.550 1.00 49.49 O ATOM 170 CB LYS A 11 32.957 42.620 11.620 1.00 49.82 C ATOM 171 CG LYS A 11 33.470 41.949 10.353 1.00 49.82 C ATOM 172 CD LYS A 11 34.950 41.611 10.466 1.00 49.82 C ATOM 173 CE LYS A 11 35.441 40.854 9.242 1.00 50.21 C ATOM 174 NZ LYS A 11 35.321 41.666 8.001 1.00 49.70 N ATOM 0 H LYS A 11 31.305 42.994 13.768 1.00 49.53 H new ATOM 0 HA LYS A 11 31.083 43.312 10.838 1.00 50.07 H new ATOM 0 HB2 LYS A 11 33.393 43.616 11.691 1.00 49.82 H new ATOM 0 HB3 LYS A 11 33.309 42.056 12.484 1.00 49.82 H new ATOM 0 HG2 LYS A 11 32.900 41.039 10.165 1.00 49.82 H new ATOM 0 HG3 LYS A 11 33.309 42.608 9.500 1.00 49.82 H new ATOM 0 HD2 LYS A 11 35.526 42.529 10.584 1.00 49.82 H new ATOM 0 HD3 LYS A 11 35.121 41.011 11.360 1.00 49.82 H new ATOM 0 HE2 LYS A 11 36.482 40.565 9.387 1.00 50.21 H new ATOM 0 HE3 LYS A 11 34.868 39.934 9.130 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 35.788 41.170 7.215 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 34.316 41.806 7.773 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 35.775 42.590 8.146 1.00 49.70 H new ATOM 188 N THR A 12 30.006 41.089 10.612 1.00 49.53 N ATOM 189 CA THR A 12 29.441 39.731 10.492 1.00 50.07 C ATOM 190 C THR A 12 30.416 38.795 9.781 1.00 50.51 C ATOM 191 O THR A 12 31.107 39.297 8.891 1.00 49.49 O ATOM 192 CB THR A 12 28.104 39.741 9.729 1.00 50.14 C ATOM 193 OG1 THR A 12 28.339 40.067 8.353 1.00 49.34 O ATOM 194 CG2 THR A 12 27.152 40.763 10.333 1.00 49.73 C ATOM 0 H THR A 12 29.754 41.750 9.878 1.00 49.53 H new ATOM 0 HA THR A 12 29.265 39.370 11.505 1.00 50.07 H new ATOM 0 HB THR A 12 27.653 38.752 9.804 1.00 50.14 H new ATOM 0 HG1 THR A 12 27.488 40.071 7.868 1.00 49.34 H new ATOM 0 HG21 THR A 12 26.212 40.756 9.781 1.00 49.73 H new ATOM 0 HG22 THR A 12 26.962 40.511 11.376 1.00 49.73 H new ATOM 0 HG23 THR A 12 27.599 41.755 10.275 1.00 49.73 H new ATOM 202 N ILE A 13 30.430 37.532 10.206 1.00 49.53 N ATOM 203 CA ILE A 13 31.385 36.632 9.495 1.00 50.07 C ATOM 204 C ILE A 13 30.640 35.540 8.776 1.00 50.51 C ATOM 205 O ILE A 13 29.579 35.095 9.255 1.00 49.49 O ATOM 206 CB ILE A 13 32.401 36.001 10.464 1.00 49.91 C ATOM 207 CG1 ILE A 13 33.129 37.090 11.257 1.00 49.82 C ATOM 208 CG2 ILE A 13 33.397 35.138 9.703 1.00 49.73 C ATOM 209 CD1 ILE A 13 33.797 36.584 12.516 1.00 49.73 C ATOM 0 H ILE A 13 29.866 37.125 10.952 1.00 49.53 H new ATOM 0 HA ILE A 13 31.930 37.243 8.775 1.00 50.07 H new ATOM 0 HB ILE A 13 31.862 35.365 11.166 1.00 49.91 H new ATOM 0 HG12 ILE A 13 33.882 37.551 10.617 1.00 49.82 H new ATOM 0 HG13 ILE A 13 32.416 37.870 11.523 1.00 49.82 H new ATOM 0 HG21 ILE A 13 34.108 34.700 10.403 1.00 49.73 H new ATOM 0 HG22 ILE A 13 32.865 34.343 9.181 1.00 49.73 H new ATOM 0 HG23 ILE A 13 33.932 35.753 8.979 1.00 49.73 H new ATOM 0 HD11 ILE A 13 34.292 37.412 13.024 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.047 36.150 13.177 1.00 49.73 H new ATOM 0 HD13 ILE A 13 34.535 35.825 12.256 1.00 49.73 H new ATOM 221 N THR A 14 31.093 35.154 7.604 1.00 49.53 N ATOM 222 CA THR A 14 30.368 34.040 6.924 1.00 50.07 C ATOM 223 C THR A 14 31.255 32.864 6.613 1.00 50.51 C ATOM 224 O THR A 14 32.314 33.026 5.950 1.00 49.49 O ATOM 225 CB THR A 14 29.705 34.520 5.620 1.00 50.14 C ATOM 226 OG1 THR A 14 28.643 35.431 5.927 1.00 49.34 O ATOM 227 CG2 THR A 14 29.146 33.340 4.841 1.00 49.73 C ATOM 0 H THR A 14 31.896 35.543 7.110 1.00 49.53 H new ATOM 0 HA THR A 14 29.606 33.713 7.631 1.00 50.07 H new ATOM 0 HB THR A 14 30.457 35.021 5.011 1.00 50.14 H new ATOM 0 HG1 THR A 14 27.822 34.927 6.108 1.00 49.34 H new ATOM 0 HG21 THR A 14 28.681 33.698 3.922 1.00 49.73 H new ATOM 0 HG22 THR A 14 29.954 32.651 4.594 1.00 49.73 H new ATOM 0 HG23 THR A 14 28.402 32.824 5.447 1.00 49.73 H new ATOM 235 N LEU A 15 30.861 31.658 6.990 1.00 49.53 N ATOM 236 CA LEU A 15 31.654 30.472 6.748 1.00 50.07 C ATOM 237 C LEU A 15 30.825 29.545 5.852 1.00 50.51 C ATOM 238 O LEU A 15 29.614 29.598 6.020 1.00 49.49 O ATOM 239 CB LEU A 15 32.022 29.783 8.067 1.00 49.82 C ATOM 240 CG LEU A 15 32.905 30.609 9.012 1.00 49.91 C ATOM 241 CD1 LEU A 15 32.036 31.451 9.936 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.801 29.678 9.815 1.00 49.73 C ATOM 0 H LEU A 15 29.981 31.478 7.473 1.00 49.53 H new ATOM 0 HA LEU A 15 32.592 30.731 6.258 1.00 50.07 H new ATOM 0 HB2 LEU A 15 31.102 29.522 8.591 1.00 49.82 H new ATOM 0 HB3 LEU A 15 32.536 28.849 7.839 1.00 49.82 H new ATOM 0 HG LEU A 15 33.533 31.282 8.427 1.00 49.91 H new ATOM 0 HD11 LEU A 15 32.672 32.033 10.603 1.00 49.73 H new ATOM 0 HD12 LEU A 15 31.420 32.125 9.341 1.00 49.73 H new ATOM 0 HD13 LEU A 15 31.393 30.798 10.526 1.00 49.73 H new ATOM 0 HD21 LEU A 15 34.428 30.265 10.486 1.00 49.73 H new ATOM 0 HD22 LEU A 15 33.185 28.995 10.399 1.00 49.73 H new ATOM 0 HD23 LEU A 15 34.433 29.106 9.136 1.00 49.73 H new ATOM 254 N GLU A 16 31.520 28.748 5.075 1.00 49.53 N ATOM 255 CA GLU A 16 30.757 27.727 4.285 1.00 50.07 C ATOM 256 C GLU A 16 31.284 26.415 4.826 1.00 50.51 C ATOM 257 O GLU A 16 32.483 26.313 5.084 1.00 49.49 O ATOM 258 CB GLU A 16 31.023 27.862 2.784 1.00 49.82 C ATOM 259 CG GLU A 16 30.508 29.154 2.167 1.00 49.72 C ATOM 260 CD GLU A 16 30.484 29.073 0.666 1.00 50.62 C ATOM 261 OE1 GLU A 16 31.522 28.876 0.085 1.00 49.24 O ATOM 262 OE2 GLU A 16 29.412 29.094 0.107 1.00 49.24 O ATOM 0 H GLU A 16 32.533 28.754 4.955 1.00 49.53 H new ATOM 0 HA GLU A 16 29.677 27.829 4.386 1.00 50.07 H new ATOM 0 HB2 GLU A 16 32.097 27.794 2.610 1.00 49.82 H new ATOM 0 HB3 GLU A 16 30.563 27.019 2.269 1.00 49.82 H new ATOM 0 HG2 GLU A 16 29.504 29.361 2.538 1.00 49.72 H new ATOM 0 HG3 GLU A 16 31.141 29.985 2.478 1.00 49.72 H new ATOM 269 N VAL A 17 30.322 25.609 5.246 1.00 49.53 N ATOM 270 CA VAL A 17 30.610 24.310 5.847 1.00 50.07 C ATOM 271 C VAL A 17 29.488 23.335 5.459 1.00 50.51 C ATOM 272 O VAL A 17 28.445 23.725 4.886 1.00 49.49 O ATOM 273 CB VAL A 17 30.711 24.396 7.382 1.00 49.91 C ATOM 274 CG1 VAL A 17 31.854 25.314 7.789 1.00 49.73 C ATOM 275 CG2 VAL A 17 29.398 24.886 7.976 1.00 49.73 C ATOM 0 H VAL A 17 29.328 25.830 5.183 1.00 49.53 H new ATOM 0 HA VAL A 17 31.574 23.962 5.476 1.00 50.07 H new ATOM 0 HB VAL A 17 30.914 23.398 7.771 1.00 49.91 H new ATOM 0 HG11 VAL A 17 31.911 25.364 8.876 1.00 49.73 H new ATOM 0 HG12 VAL A 17 32.792 24.924 7.394 1.00 49.73 H new ATOM 0 HG13 VAL A 17 31.679 26.313 7.389 1.00 49.73 H new ATOM 0 HG21 VAL A 17 29.487 24.941 9.061 1.00 49.73 H new ATOM 0 HG22 VAL A 17 29.166 25.875 7.581 1.00 49.73 H new ATOM 0 HG23 VAL A 17 28.599 24.194 7.712 1.00 49.73 H new ATOM 285 N GLU A 18 29.768 22.097 5.798 1.00 49.53 N ATOM 286 CA GLU A 18 28.829 20.983 5.649 1.00 50.07 C ATOM 287 C GLU A 18 28.262 20.452 6.957 1.00 50.51 C ATOM 288 O GLU A 18 28.862 20.592 8.012 1.00 49.49 O ATOM 289 CB GLU A 18 29.494 19.840 4.881 1.00 49.82 C ATOM 290 CG GLU A 18 29.875 20.183 3.447 1.00 49.72 C ATOM 291 CD GLU A 18 30.706 19.094 2.827 1.00 50.62 C ATOM 292 OE1 GLU A 18 30.989 18.133 3.500 1.00 49.24 O ATOM 293 OE2 GLU A 18 30.962 19.169 1.648 1.00 49.24 O ATOM 0 H GLU A 18 30.667 21.820 6.193 1.00 49.53 H new ATOM 0 HA GLU A 18 27.982 21.388 5.096 1.00 50.07 H new ATOM 0 HB2 GLU A 18 30.391 19.531 5.418 1.00 49.82 H new ATOM 0 HB3 GLU A 18 28.818 18.985 4.870 1.00 49.82 H new ATOM 0 HG2 GLU A 18 28.972 20.336 2.855 1.00 49.72 H new ATOM 0 HG3 GLU A 18 30.430 21.121 3.430 1.00 49.72 H new ATOM 300 N PRO A 19 27.091 19.847 6.900 1.00 49.71 N ATOM 301 CA PRO A 19 26.455 19.248 8.073 1.00 50.02 C ATOM 302 C PRO A 19 27.357 18.249 8.754 1.00 50.51 C ATOM 303 O PRO A 19 27.199 17.936 9.943 1.00 49.49 O ATOM 304 CB PRO A 19 25.199 18.559 7.494 1.00 49.82 C ATOM 305 CG PRO A 19 24.876 19.402 6.305 1.00 49.82 C ATOM 306 CD PRO A 19 26.267 19.671 5.677 1.00 50.00 C ATOM 0 HA PRO A 19 26.222 19.987 8.840 1.00 50.02 H new ATOM 0 HB2 PRO A 19 25.398 17.525 7.214 1.00 49.82 H new ATOM 0 HB3 PRO A 19 24.380 18.543 8.213 1.00 49.82 H new ATOM 0 HG2 PRO A 19 24.214 18.884 5.611 1.00 49.82 H new ATOM 0 HG3 PRO A 19 24.377 20.328 6.591 1.00 49.82 H new ATOM 0 HD2 PRO A 19 26.611 18.839 5.062 1.00 50.00 H new ATOM 0 HD3 PRO A 19 26.271 20.558 5.044 1.00 50.00 H new ATOM 314 N SER A 20 28.294 17.683 8.012 1.00 49.53 N ATOM 315 CA SER A 20 29.182 16.658 8.586 1.00 50.07 C ATOM 316 C SER A 20 30.234 17.249 9.495 1.00 50.51 C ATOM 317 O SER A 20 30.945 16.469 10.151 1.00 49.49 O ATOM 318 CB SER A 20 29.839 15.864 7.474 1.00 50.05 C ATOM 319 OG SER A 20 30.872 16.580 6.855 1.00 49.34 O ATOM 0 H SER A 20 28.466 17.902 7.031 1.00 49.53 H new ATOM 0 HA SER A 20 28.565 15.998 9.197 1.00 50.07 H new ATOM 0 HB2 SER A 20 30.236 14.933 7.879 1.00 50.05 H new ATOM 0 HB3 SER A 20 29.089 15.594 6.730 1.00 50.05 H new ATOM 0 HG SER A 20 31.270 16.033 6.146 1.00 49.34 H new ATOM 325 N ASP A 21 30.420 18.569 9.421 1.00 49.53 N ATOM 326 CA ASP A 21 31.468 19.161 10.293 1.00 50.07 C ATOM 327 C ASP A 21 31.037 19.056 11.733 1.00 50.51 C ATOM 328 O ASP A 21 29.874 19.353 12.075 1.00 49.49 O ATOM 329 CB ASP A 21 31.726 20.622 9.918 1.00 49.72 C ATOM 330 CG ASP A 21 32.587 20.810 8.675 1.00 50.62 C ATOM 331 OD1 ASP A 21 33.460 20.005 8.454 1.00 49.24 O ATOM 332 OD2 ASP A 21 32.266 21.659 7.879 1.00 49.24 O ATOM 0 H ASP A 21 29.910 19.216 8.820 1.00 49.53 H new ATOM 0 HA ASP A 21 32.398 18.610 10.153 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.769 21.119 9.760 1.00 49.72 H new ATOM 0 HB3 ASP A 21 32.209 21.120 10.759 1.00 49.72 H new ATOM 337 N THR A 22 31.990 18.759 12.600 1.00 49.53 N ATOM 338 CA THR A 22 31.752 18.712 14.024 1.00 50.07 C ATOM 339 C THR A 22 31.806 20.180 14.509 1.00 50.51 C ATOM 340 O THR A 22 32.731 20.910 14.144 1.00 49.49 O ATOM 341 CB THR A 22 32.809 17.873 14.765 1.00 50.14 C ATOM 342 OG1 THR A 22 34.119 18.367 14.456 1.00 49.34 O ATOM 343 CG2 THR A 22 32.714 16.411 14.353 1.00 49.73 C ATOM 0 H THR A 22 32.950 18.544 12.331 1.00 49.53 H new ATOM 0 HA THR A 22 30.792 18.239 14.231 1.00 50.07 H new ATOM 0 HB THR A 22 32.627 17.952 15.837 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.790 17.833 14.930 1.00 49.34 H new ATOM 0 HG21 THR A 22 33.468 15.833 14.887 1.00 49.73 H new ATOM 0 HG22 THR A 22 31.723 16.028 14.597 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.882 16.324 13.280 1.00 49.73 H new ATOM 351 N ILE A 23 30.797 20.501 15.320 1.00 49.53 N ATOM 352 CA ILE A 23 30.732 21.817 15.951 1.00 50.07 C ATOM 353 C ILE A 23 32.131 22.283 16.355 1.00 50.51 C ATOM 354 O ILE A 23 32.491 23.468 16.247 1.00 49.49 O ATOM 355 CB ILE A 23 29.820 21.808 17.191 1.00 49.91 C ATOM 356 CG1 ILE A 23 28.354 21.655 16.777 1.00 49.82 C ATOM 357 CG2 ILE A 23 30.016 23.078 18.005 1.00 49.73 C ATOM 358 CD1 ILE A 23 27.853 22.767 15.884 1.00 49.73 C ATOM 0 H ILE A 23 30.024 19.877 15.552 1.00 49.53 H new ATOM 0 HA ILE A 23 30.311 22.507 15.220 1.00 50.07 H new ATOM 0 HB ILE A 23 30.092 20.955 17.813 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.229 20.703 16.261 1.00 49.82 H new ATOM 0 HG13 ILE A 23 27.735 21.615 17.673 1.00 49.82 H new ATOM 0 HG21 ILE A 23 29.364 23.055 18.878 1.00 49.73 H new ATOM 0 HG22 ILE A 23 31.054 23.145 18.330 1.00 49.73 H new ATOM 0 HG23 ILE A 23 29.771 23.945 17.391 1.00 49.73 H new ATOM 0 HD11 ILE A 23 26.807 22.589 15.633 1.00 49.73 H new ATOM 0 HD12 ILE A 23 27.944 23.720 16.404 1.00 49.73 H new ATOM 0 HD13 ILE A 23 28.446 22.794 14.970 1.00 49.73 H new ATOM 370 N GLU A 24 32.957 21.353 16.775 1.00 49.53 N ATOM 371 CA GLU A 24 34.374 21.701 17.131 1.00 50.07 C ATOM 372 C GLU A 24 35.228 22.329 16.059 1.00 50.51 C ATOM 373 O GLU A 24 35.981 23.301 16.312 1.00 49.49 O ATOM 374 CB GLU A 24 35.086 20.457 17.665 1.00 49.82 C ATOM 375 CG GLU A 24 36.601 20.580 17.731 1.00 49.72 C ATOM 376 CD GLU A 24 37.222 19.357 18.347 1.00 50.62 C ATOM 377 OE1 GLU A 24 36.983 18.280 17.855 1.00 49.24 O ATOM 378 OE2 GLU A 24 38.023 19.507 19.239 1.00 49.24 O ATOM 0 H GLU A 24 32.713 20.369 16.887 1.00 49.53 H new ATOM 0 HA GLU A 24 34.263 22.486 17.879 1.00 50.07 H new ATOM 0 HB2 GLU A 24 34.708 20.237 18.663 1.00 49.82 H new ATOM 0 HB3 GLU A 24 34.830 19.607 17.033 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.000 20.727 16.727 1.00 49.72 H new ATOM 0 HG3 GLU A 24 36.871 21.461 18.314 1.00 49.72 H new ATOM 385 N ASN A 25 35.172 21.777 14.857 1.00 49.53 N ATOM 386 CA ASN A 25 35.938 22.245 13.695 1.00 50.07 C ATOM 387 C ASN A 25 35.573 23.619 13.135 1.00 50.51 C ATOM 388 O ASN A 25 36.420 24.309 12.533 1.00 49.49 O ATOM 389 CB ASN A 25 35.880 21.222 12.575 1.00 49.82 C ATOM 390 CG ASN A 25 36.563 19.924 12.905 1.00 50.55 C ATOM 391 OD1 ASN A 25 37.243 19.799 13.930 1.00 49.45 O ATOM 392 ND2 ASN A 25 36.454 18.984 12.002 1.00 49.38 N ATOM 0 H ASN A 25 34.581 20.972 14.650 1.00 49.53 H new ATOM 0 HA ASN A 25 36.947 22.363 14.090 1.00 50.07 H new ATOM 0 HB2 ASN A 25 34.837 21.022 12.332 1.00 49.82 H new ATOM 0 HB3 ASN A 25 36.339 21.647 11.683 1.00 49.82 H new ATOM 0 HD21 ASN A 25 36.943 18.098 12.127 1.00 49.38 H new ATOM 0 HD22 ASN A 25 35.880 19.137 11.173 1.00 49.38 H new ATOM 399 N VAL A 26 34.318 23.981 13.365 1.00 49.53 N ATOM 400 CA VAL A 26 33.828 25.280 12.919 1.00 50.07 C ATOM 401 C VAL A 26 34.503 26.445 13.635 1.00 50.51 C ATOM 402 O VAL A 26 34.898 27.437 13.014 1.00 49.49 O ATOM 403 CB VAL A 26 32.304 25.397 13.111 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.837 26.814 12.818 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.576 24.402 12.219 1.00 49.73 C ATOM 0 H VAL A 26 33.630 23.405 13.850 1.00 49.53 H new ATOM 0 HA VAL A 26 34.076 25.340 11.859 1.00 50.07 H new ATOM 0 HB VAL A 26 32.070 25.165 14.150 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.758 26.878 12.959 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.333 27.508 13.496 1.00 49.73 H new ATOM 0 HG13 VAL A 26 32.085 27.073 11.789 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.501 24.499 12.368 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.818 24.604 11.176 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.888 23.389 12.474 1.00 49.73 H new ATOM 415 N LYS A 27 34.662 26.303 14.945 1.00 49.53 N ATOM 416 CA LYS A 27 35.297 27.360 15.747 1.00 50.07 C ATOM 417 C LYS A 27 36.701 27.632 15.231 1.00 50.51 C ATOM 418 O LYS A 27 37.162 28.797 15.314 1.00 49.49 O ATOM 419 CB LYS A 27 35.340 26.967 17.223 1.00 49.82 C ATOM 420 CG LYS A 27 33.971 26.784 17.865 1.00 49.82 C ATOM 421 CD LYS A 27 34.087 26.158 19.248 1.00 49.82 C ATOM 422 CE LYS A 27 32.719 25.955 19.881 1.00 50.21 C ATOM 423 NZ LYS A 27 32.815 25.320 21.223 1.00 49.70 N ATOM 0 H LYS A 27 34.368 25.483 15.475 1.00 49.53 H new ATOM 0 HA LYS A 27 34.704 28.270 15.654 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.902 26.038 17.323 1.00 49.82 H new ATOM 0 HB3 LYS A 27 35.887 27.732 17.774 1.00 49.82 H new ATOM 0 HG2 LYS A 27 33.471 27.750 17.941 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.350 26.153 17.229 1.00 49.82 H new ATOM 0 HD2 LYS A 27 34.601 25.200 19.173 1.00 49.82 H new ATOM 0 HD3 LYS A 27 34.695 26.797 19.889 1.00 49.82 H new ATOM 0 HE2 LYS A 27 32.214 26.917 19.970 1.00 50.21 H new ATOM 0 HE3 LYS A 27 32.106 25.333 19.229 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 31.941 25.501 21.756 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 32.947 24.294 21.113 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 33.624 25.720 21.739 1.00 49.70 H new ATOM 437 N ALA A 28 37.391 26.617 14.755 1.00 49.53 N ATOM 438 CA ALA A 28 38.728 26.786 14.172 1.00 50.07 C ATOM 439 C ALA A 28 38.844 27.572 12.877 1.00 50.51 C ATOM 440 O ALA A 28 39.745 28.469 12.742 1.00 49.49 O ATOM 441 CB ALA A 28 39.379 25.403 13.983 1.00 49.73 C ATOM 0 H ALA A 28 37.054 25.654 14.756 1.00 49.53 H new ATOM 0 HA ALA A 28 39.246 27.410 14.900 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.372 25.524 13.550 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.463 24.905 14.949 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.764 24.799 13.316 1.00 49.73 H new ATOM 447 N LYS A 29 37.982 27.335 11.900 1.00 49.53 N ATOM 448 CA LYS A 29 37.987 28.124 10.652 1.00 50.07 C ATOM 449 C LYS A 29 38.077 29.619 11.017 1.00 50.51 C ATOM 450 O LYS A 29 38.720 30.451 10.331 1.00 49.49 O ATOM 451 CB LYS A 29 36.730 27.847 9.826 1.00 49.82 C ATOM 452 CG LYS A 29 36.794 26.574 8.993 1.00 49.82 C ATOM 453 CD LYS A 29 35.524 26.384 8.176 1.00 49.82 C ATOM 454 CE LYS A 29 35.551 25.069 7.409 1.00 50.21 C ATOM 455 NZ LYS A 29 36.615 25.055 6.368 1.00 49.70 N ATOM 0 H LYS A 29 37.268 26.608 11.935 1.00 49.53 H new ATOM 0 HA LYS A 29 38.846 27.839 10.045 1.00 50.07 H new ATOM 0 HB2 LYS A 29 35.874 27.784 10.498 1.00 49.82 H new ATOM 0 HB3 LYS A 29 36.552 28.693 9.162 1.00 49.82 H new ATOM 0 HG2 LYS A 29 37.655 26.616 8.326 1.00 49.82 H new ATOM 0 HG3 LYS A 29 36.940 25.715 9.648 1.00 49.82 H new ATOM 0 HD2 LYS A 29 34.657 26.404 8.837 1.00 49.82 H new ATOM 0 HD3 LYS A 29 35.411 27.213 7.477 1.00 49.82 H new ATOM 0 HE2 LYS A 29 35.713 24.246 8.105 1.00 50.21 H new ATOM 0 HE3 LYS A 29 34.582 24.903 6.939 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 36.514 24.203 5.780 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 36.526 25.901 5.769 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 37.549 25.051 6.826 1.00 49.70 H new ATOM 469 N ILE A 30 37.479 29.969 12.155 1.00 49.53 N ATOM 470 CA ILE A 30 37.514 31.378 12.590 1.00 50.07 C ATOM 471 C ILE A 30 38.970 31.676 12.974 1.00 50.51 C ATOM 472 O ILE A 30 39.447 32.813 12.758 1.00 49.49 O ATOM 473 CB ILE A 30 36.589 31.640 13.793 1.00 49.91 C ATOM 474 CG1 ILE A 30 35.148 31.246 13.454 1.00 49.82 C ATOM 475 CG2 ILE A 30 36.660 33.101 14.210 1.00 49.73 C ATOM 476 CD1 ILE A 30 34.473 32.180 12.477 1.00 49.73 C ATOM 0 H ILE A 30 36.981 29.331 12.776 1.00 49.53 H new ATOM 0 HA ILE A 30 37.160 32.023 11.786 1.00 50.07 H new ATOM 0 HB ILE A 30 36.926 31.028 14.629 1.00 49.91 H new ATOM 0 HG12 ILE A 30 35.145 30.238 13.039 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.564 31.214 14.374 1.00 49.82 H new ATOM 0 HG21 ILE A 30 36.000 33.269 15.061 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.684 33.350 14.489 1.00 49.73 H new ATOM 0 HG23 ILE A 30 36.347 33.732 13.378 1.00 49.73 H new ATOM 0 HD11 ILE A 30 33.457 31.835 12.287 1.00 49.73 H new ATOM 0 HD12 ILE A 30 34.442 33.185 12.897 1.00 49.73 H new ATOM 0 HD13 ILE A 30 35.032 32.194 11.542 1.00 49.73 H new ATOM 488 N GLN A 31 39.640 30.763 13.631 1.00 49.53 N ATOM 489 CA GLN A 31 41.064 31.050 13.993 1.00 50.07 C ATOM 490 C GLN A 31 41.948 31.770 12.963 1.00 50.51 C ATOM 491 O GLN A 31 42.834 32.617 13.227 1.00 49.49 O ATOM 492 CB GLN A 31 41.757 29.745 14.393 1.00 49.82 C ATOM 493 CG GLN A 31 43.254 29.876 14.612 1.00 49.82 C ATOM 494 CD GLN A 31 43.939 28.531 14.757 1.00 50.55 C ATOM 495 OE1 GLN A 31 43.896 27.908 15.822 1.00 49.45 O ATOM 496 NE2 GLN A 31 44.580 28.075 13.687 1.00 49.38 N ATOM 0 H GLN A 31 39.278 29.856 13.926 1.00 49.53 H new ATOM 0 HA GLN A 31 40.968 31.769 14.806 1.00 50.07 H new ATOM 0 HB2 GLN A 31 41.299 29.369 15.308 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.579 29.000 13.618 1.00 49.82 H new ATOM 0 HG2 GLN A 31 43.695 30.416 13.774 1.00 49.82 H new ATOM 0 HG3 GLN A 31 43.436 30.471 15.507 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.590 28.623 12.827 1.00 49.38 H new ATOM 0 HE22 GLN A 31 45.062 27.177 13.726 1.00 49.38 H new ATOM 505 N ASP A 32 41.734 31.388 11.727 1.00 49.53 N ATOM 506 CA ASP A 32 42.490 31.998 10.609 1.00 50.07 C ATOM 507 C ASP A 32 42.129 33.430 10.280 1.00 50.51 C ATOM 508 O ASP A 32 42.805 34.149 9.509 1.00 49.49 O ATOM 509 CB ASP A 32 42.340 31.138 9.351 1.00 49.72 C ATOM 510 CG ASP A 32 43.126 29.836 9.381 1.00 50.62 C ATOM 511 OD1 ASP A 32 43.947 29.680 10.255 1.00 49.24 O ATOM 512 OD2 ASP A 32 42.794 28.947 8.634 1.00 49.24 O ATOM 0 H ASP A 32 41.061 30.673 11.451 1.00 49.53 H new ATOM 0 HA ASP A 32 43.523 32.031 10.956 1.00 50.07 H new ATOM 0 HB2 ASP A 32 41.284 30.907 9.207 1.00 49.72 H new ATOM 0 HB3 ASP A 32 42.659 31.721 8.487 1.00 49.72 H new ATOM 517 N LYS A 33 41.009 33.928 10.836 1.00 49.53 N ATOM 518 CA LYS A 33 40.618 35.303 10.422 1.00 50.07 C ATOM 519 C LYS A 33 40.873 36.367 11.432 1.00 50.51 C ATOM 520 O LYS A 33 41.510 37.401 11.030 1.00 49.49 O ATOM 521 CB LYS A 33 39.141 35.326 10.026 1.00 49.82 C ATOM 522 CG LYS A 33 38.786 34.403 8.868 1.00 49.82 C ATOM 523 CD LYS A 33 39.697 34.640 7.672 1.00 49.82 C ATOM 524 CE LYS A 33 39.331 33.730 6.508 1.00 50.21 C ATOM 525 NZ LYS A 33 40.249 33.911 5.352 1.00 49.70 N ATOM 0 H LYS A 33 40.404 33.459 11.510 1.00 49.53 H new ATOM 0 HA LYS A 33 41.263 35.539 9.576 1.00 50.07 H new ATOM 0 HB2 LYS A 33 38.541 35.049 10.893 1.00 49.82 H new ATOM 0 HB3 LYS A 33 38.865 36.346 9.760 1.00 49.82 H new ATOM 0 HG2 LYS A 33 38.867 33.365 9.190 1.00 49.82 H new ATOM 0 HG3 LYS A 33 37.749 34.566 8.575 1.00 49.82 H new ATOM 0 HD2 LYS A 33 39.625 35.681 7.358 1.00 49.82 H new ATOM 0 HD3 LYS A 33 40.733 34.465 7.961 1.00 49.82 H new ATOM 0 HE2 LYS A 33 39.361 32.691 6.836 1.00 50.21 H new ATOM 0 HE3 LYS A 33 38.308 33.936 6.194 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 39.966 33.274 4.581 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 40.202 34.896 5.022 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 41.222 33.690 5.644 1.00 49.70 H new ATOM 539 N GLU A 34 40.603 36.224 12.700 1.00 49.53 N ATOM 540 CA GLU A 34 40.834 37.223 13.719 1.00 50.07 C ATOM 541 C GLU A 34 41.955 36.741 14.606 1.00 50.51 C ATOM 542 O GLU A 34 42.750 37.559 15.080 1.00 49.49 O ATOM 543 CB GLU A 34 39.565 37.469 14.539 1.00 49.82 C ATOM 544 CG GLU A 34 38.454 38.181 13.780 1.00 49.72 C ATOM 545 CD GLU A 34 38.871 39.567 13.372 1.00 50.62 C ATOM 546 OE1 GLU A 34 39.909 40.005 13.806 1.00 49.24 O ATOM 547 OE2 GLU A 34 38.212 40.144 12.540 1.00 49.24 O ATOM 0 H GLU A 34 40.196 35.367 13.074 1.00 49.53 H new ATOM 0 HA GLU A 34 41.108 38.169 13.253 1.00 50.07 H new ATOM 0 HB2 GLU A 34 39.187 36.511 14.898 1.00 49.82 H new ATOM 0 HB3 GLU A 34 39.824 38.059 15.418 1.00 49.82 H new ATOM 0 HG2 GLU A 34 38.188 37.604 12.895 1.00 49.72 H new ATOM 0 HG3 GLU A 34 37.562 38.236 14.404 1.00 49.72 H new ATOM 554 N GLY A 35 41.940 35.473 14.979 1.00 49.53 N ATOM 555 CA GLY A 35 42.991 34.878 15.763 1.00 49.98 C ATOM 556 C GLY A 35 42.447 34.562 17.099 1.00 50.51 C ATOM 557 O GLY A 35 43.186 34.647 18.116 1.00 49.49 O ATOM 0 H GLY A 35 41.187 34.827 14.740 1.00 49.53 H new ATOM 0 HA2 GLY A 35 43.361 33.974 15.279 1.00 49.98 H new ATOM 0 HA3 GLY A 35 43.835 35.562 15.848 1.00 49.98 H new ATOM 561 N ILE A 36 41.168 34.157 17.179 1.00 49.53 N ATOM 562 CA ILE A 36 40.608 33.830 18.500 1.00 50.07 C ATOM 563 C ILE A 36 40.649 32.323 18.687 1.00 50.51 C ATOM 564 O ILE A 36 40.077 31.567 17.883 1.00 49.49 O ATOM 565 CB ILE A 36 39.159 34.329 18.650 1.00 49.91 C ATOM 566 CG1 ILE A 36 39.061 35.807 18.261 1.00 49.82 C ATOM 567 CG2 ILE A 36 38.669 34.117 20.074 1.00 49.73 C ATOM 568 CD1 ILE A 36 39.923 36.719 19.102 1.00 49.73 C ATOM 0 H ILE A 36 40.531 34.052 16.389 1.00 49.53 H new ATOM 0 HA ILE A 36 41.207 34.331 19.261 1.00 50.07 H new ATOM 0 HB ILE A 36 38.522 33.753 17.979 1.00 49.91 H new ATOM 0 HG12 ILE A 36 39.346 35.917 17.215 1.00 49.82 H new ATOM 0 HG13 ILE A 36 38.022 36.126 18.344 1.00 49.82 H new ATOM 0 HG21 ILE A 36 37.643 34.475 20.163 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.705 33.055 20.317 1.00 49.73 H new ATOM 0 HG23 ILE A 36 39.307 34.669 20.764 1.00 49.73 H new ATOM 0 HD11 ILE A 36 39.799 37.749 18.766 1.00 49.73 H new ATOM 0 HD12 ILE A 36 39.624 36.640 20.147 1.00 49.73 H new ATOM 0 HD13 ILE A 36 40.968 36.427 19.000 1.00 49.73 H new ATOM 580 N PRO A 37 41.298 31.866 19.752 1.00 49.71 N ATOM 581 CA PRO A 37 41.390 30.433 20.085 1.00 50.02 C ATOM 582 C PRO A 37 40.010 29.819 20.224 1.00 50.51 C ATOM 583 O PRO A 37 39.146 30.444 20.892 1.00 49.49 O ATOM 584 CB PRO A 37 42.082 30.509 21.480 1.00 49.82 C ATOM 585 CG PRO A 37 42.944 31.731 21.376 1.00 49.82 C ATOM 586 CD PRO A 37 41.997 32.739 20.740 1.00 50.00 C ATOM 0 HA PRO A 37 41.908 29.829 19.340 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.353 30.599 22.285 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.674 29.616 21.684 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.298 32.064 22.352 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.826 31.556 20.760 1.00 49.82 H new ATOM 0 HD2 PRO A 37 41.311 33.178 21.464 1.00 50.00 H new ATOM 0 HD3 PRO A 37 42.527 33.563 20.263 1.00 50.00 H new ATOM 594 N PRO A 38 39.785 28.643 19.693 1.00 49.71 N ATOM 595 CA PRO A 38 38.456 28.017 19.792 1.00 50.02 C ATOM 596 C PRO A 38 37.979 27.846 21.209 1.00 50.51 C ATOM 597 O PRO A 38 36.757 27.913 21.514 1.00 49.49 O ATOM 598 CB PRO A 38 38.611 26.719 19.005 1.00 49.82 C ATOM 599 CG PRO A 38 39.693 27.063 17.984 1.00 49.82 C ATOM 600 CD PRO A 38 40.706 27.821 18.868 1.00 50.00 C ATOM 0 HA PRO A 38 37.663 28.639 19.378 1.00 50.02 H new ATOM 0 HB2 PRO A 38 38.911 25.891 19.647 1.00 49.82 H new ATOM 0 HB3 PRO A 38 37.679 26.426 18.522 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.128 26.173 17.529 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.311 27.682 17.172 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.314 27.148 19.472 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.393 28.431 18.281 1.00 50.00 H new ATOM 608 N ASP A 39 38.876 27.624 22.139 1.00 49.53 N ATOM 609 CA ASP A 39 38.476 27.389 23.553 1.00 50.07 C ATOM 610 C ASP A 39 37.913 28.617 24.258 1.00 50.51 C ATOM 611 O ASP A 39 37.186 28.539 25.286 1.00 49.49 O ATOM 612 CB ASP A 39 39.666 26.844 24.350 1.00 49.72 C ATOM 613 CG ASP A 39 39.283 25.914 25.493 1.00 50.62 C ATOM 614 OD1 ASP A 39 38.461 25.055 25.284 1.00 49.24 O ATOM 615 OD2 ASP A 39 39.925 25.967 26.515 1.00 49.24 O ATOM 0 H ASP A 39 39.882 27.596 21.971 1.00 49.53 H new ATOM 0 HA ASP A 39 37.666 26.660 23.514 1.00 50.07 H new ATOM 0 HB2 ASP A 39 40.330 26.310 23.670 1.00 49.72 H new ATOM 0 HB3 ASP A 39 40.232 27.683 24.754 1.00 49.72 H new ATOM 620 N GLN A 40 38.140 29.786 23.682 1.00 49.53 N ATOM 621 CA GLN A 40 37.598 31.023 24.294 1.00 50.07 C ATOM 622 C GLN A 40 36.372 31.600 23.560 1.00 50.51 C ATOM 623 O GLN A 40 36.032 32.754 23.794 1.00 49.49 O ATOM 624 CB GLN A 40 38.690 32.094 24.367 1.00 49.82 C ATOM 625 CG GLN A 40 39.948 31.650 25.094 1.00 49.82 C ATOM 626 CD GLN A 40 40.887 32.806 25.384 1.00 50.55 C ATOM 627 OE1 GLN A 40 41.556 33.321 24.484 1.00 49.45 O ATOM 628 NE2 GLN A 40 40.945 33.217 26.645 1.00 49.38 N ATOM 0 H GLN A 40 38.674 29.921 22.823 1.00 49.53 H new ATOM 0 HA GLN A 40 37.262 30.739 25.291 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.956 32.396 23.354 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.287 32.975 24.866 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.671 31.166 26.031 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.468 30.905 24.492 1.00 49.82 H new ATOM 0 HE21 GLN A 40 40.374 32.762 27.357 1.00 49.38 H new ATOM 0 HE22 GLN A 40 41.561 33.988 26.902 1.00 49.38 H new ATOM 637 N GLN A 41 35.722 30.810 22.734 1.00 49.53 N ATOM 638 CA GLN A 41 34.590 31.238 21.949 1.00 50.07 C ATOM 639 C GLN A 41 33.393 30.464 22.457 1.00 50.51 C ATOM 640 O GLN A 41 33.406 29.273 22.731 1.00 49.49 O ATOM 641 CB GLN A 41 34.815 30.962 20.459 1.00 49.82 C ATOM 642 CG GLN A 41 35.962 31.749 19.847 1.00 49.82 C ATOM 643 CD GLN A 41 36.110 31.491 18.360 1.00 50.55 C ATOM 644 OE1 GLN A 41 37.035 30.608 18.002 1.00 49.45 O flip ATOM 645 NE2 GLN A 41 35.399 32.079 17.540 1.00 49.38 N flip ATOM 0 H GLN A 41 35.973 29.832 22.588 1.00 49.53 H new ATOM 0 HA GLN A 41 34.437 32.313 22.050 1.00 50.07 H new ATOM 0 HB2 GLN A 41 35.006 29.898 20.323 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.899 31.194 19.915 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.799 32.814 20.014 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.891 31.486 20.353 1.00 49.82 H new ATOM 0 HE21 GLN A 41 34.700 32.750 17.859 1.00 49.38 H new ATOM 0 HE22 GLN A 41 35.510 31.894 16.543 1.00 49.38 H new ATOM 654 N ARG A 42 32.242 31.134 22.420 1.00 49.53 N ATOM 655 CA ARG A 42 30.939 30.462 22.720 1.00 50.07 C ATOM 656 C ARG A 42 29.887 30.691 21.658 1.00 50.51 C ATOM 657 O ARG A 42 29.391 31.885 21.580 1.00 49.49 O ATOM 658 CB ARG A 42 30.416 30.837 24.099 1.00 49.82 C ATOM 659 CG ARG A 42 31.265 30.348 25.261 1.00 49.82 C ATOM 660 CD ARG A 42 30.885 30.917 26.579 1.00 50.20 C ATOM 661 NE ARG A 42 29.612 30.440 27.097 1.00 49.30 N ATOM 662 CZ ARG A 42 28.432 31.063 26.919 1.00 50.64 C ATOM 663 NH1 ARG A 42 28.360 32.204 26.269 1.00 49.20 N ATOM 664 NH2 ARG A 42 27.348 30.507 27.434 1.00 49.20 N ATOM 0 H ARG A 42 32.165 32.125 22.191 1.00 49.53 H new ATOM 0 HA ARG A 42 31.152 29.393 22.716 1.00 50.07 H new ATOM 0 HB2 ARG A 42 30.336 31.922 24.158 1.00 49.82 H new ATOM 0 HB3 ARG A 42 29.408 30.436 24.211 1.00 49.82 H new ATOM 0 HG2 ARG A 42 31.196 29.262 25.314 1.00 49.82 H new ATOM 0 HG3 ARG A 42 32.308 30.591 25.061 1.00 49.82 H new ATOM 0 HD2 ARG A 42 31.667 30.683 27.301 1.00 50.20 H new ATOM 0 HD3 ARG A 42 30.844 32.003 26.494 1.00 50.20 H new ATOM 0 HE ARG A 42 29.614 29.572 27.633 1.00 49.30 H new ATOM 0 HH11 ARG A 42 29.206 32.630 25.891 1.00 49.20 H new ATOM 0 HH12 ARG A 42 27.458 32.663 26.143 1.00 49.20 H new ATOM 0 HH21 ARG A 42 27.421 29.630 27.949 1.00 49.20 H new ATOM 0 HH22 ARG A 42 26.440 30.955 27.316 1.00 49.20 H new ATOM 678 N LEU A 43 29.582 29.706 20.815 1.00 49.53 N ATOM 679 CA LEU A 43 28.595 29.911 19.724 1.00 50.07 C ATOM 680 C LEU A 43 27.190 29.556 20.195 1.00 50.51 C ATOM 681 O LEU A 43 26.972 28.416 20.625 1.00 49.49 O ATOM 682 CB LEU A 43 28.977 29.072 18.497 1.00 49.82 C ATOM 683 CG LEU A 43 30.041 29.696 17.586 1.00 49.91 C ATOM 684 CD1 LEU A 43 31.301 29.999 18.385 1.00 49.73 C ATOM 685 CD2 LEU A 43 30.347 28.745 16.438 1.00 49.73 C ATOM 0 H LEU A 43 29.988 28.771 20.853 1.00 49.53 H new ATOM 0 HA LEU A 43 28.605 30.964 19.444 1.00 50.07 H new ATOM 0 HB2 LEU A 43 29.337 28.101 18.838 1.00 49.82 H new ATOM 0 HB3 LEU A 43 28.079 28.889 17.908 1.00 49.82 H new ATOM 0 HG LEU A 43 29.664 30.633 17.176 1.00 49.91 H new ATOM 0 HD11 LEU A 43 32.050 30.442 17.729 1.00 49.73 H new ATOM 0 HD12 LEU A 43 31.064 30.697 19.188 1.00 49.73 H new ATOM 0 HD13 LEU A 43 31.692 29.075 18.811 1.00 49.73 H new ATOM 0 HD21 LEU A 43 31.103 29.188 15.790 1.00 49.73 H new ATOM 0 HD22 LEU A 43 30.719 27.801 16.837 1.00 49.73 H new ATOM 0 HD23 LEU A 43 29.438 28.564 15.864 1.00 49.73 H new ATOM 697 N ILE A 44 26.310 30.553 20.194 1.00 49.53 N ATOM 698 CA ILE A 44 24.937 30.401 20.661 1.00 50.07 C ATOM 699 C ILE A 44 23.805 30.394 19.641 1.00 50.51 C ATOM 700 O ILE A 44 23.597 31.328 18.893 1.00 49.49 O ATOM 701 CB ILE A 44 24.610 31.480 21.710 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.580 31.388 22.891 1.00 49.82 C ATOM 703 CG2 ILE A 44 23.172 31.341 22.186 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.636 30.019 23.530 1.00 49.73 C ATOM 0 H ILE A 44 26.531 31.494 19.867 1.00 49.53 H new ATOM 0 HA ILE A 44 24.954 29.384 21.053 1.00 50.07 H new ATOM 0 HB ILE A 44 24.724 32.460 21.246 1.00 49.91 H new ATOM 0 HG12 ILE A 44 26.579 31.661 22.551 1.00 49.82 H new ATOM 0 HG13 ILE A 44 25.290 32.119 23.645 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.958 32.111 22.927 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.496 31.454 21.339 1.00 49.73 H new ATOM 0 HG23 ILE A 44 23.030 30.357 22.634 1.00 49.73 H new ATOM 0 HD11 ILE A 44 26.344 30.033 24.358 1.00 49.73 H new ATOM 0 HD12 ILE A 44 24.647 29.751 23.902 1.00 49.73 H new ATOM 0 HD13 ILE A 44 25.957 29.285 22.791 1.00 49.73 H new ATOM 716 N PHE A 45 23.034 29.273 19.660 1.00 49.53 N ATOM 717 CA PHE A 45 21.868 29.126 18.775 1.00 50.07 C ATOM 718 C PHE A 45 20.678 28.730 19.669 1.00 50.51 C ATOM 719 O PHE A 45 20.758 27.842 20.517 1.00 49.49 O ATOM 720 CB PHE A 45 22.121 28.065 17.703 1.00 49.82 C ATOM 721 CG PHE A 45 20.926 27.779 16.839 1.00 50.00 C ATOM 722 CD1 PHE A 45 20.578 28.635 15.804 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.145 26.655 17.061 1.00 49.88 C ATOM 724 CE1 PHE A 45 19.479 28.373 15.009 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.046 26.389 16.267 1.00 49.88 C ATOM 726 CZ PHE A 45 18.712 27.251 15.241 1.00 49.88 C ATOM 0 H PHE A 45 23.203 28.475 20.272 1.00 49.53 H new ATOM 0 HA PHE A 45 21.665 30.058 18.248 1.00 50.07 H new ATOM 0 HB2 PHE A 45 22.946 28.391 17.070 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.437 27.141 18.187 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.173 29.517 15.618 1.00 49.88 H new ATOM 0 HD2 PHE A 45 20.399 25.979 17.864 1.00 49.88 H new ATOM 0 HE1 PHE A 45 19.221 29.047 14.206 1.00 49.88 H new ATOM 0 HE2 PHE A 45 18.449 25.508 16.449 1.00 49.88 H new ATOM 0 HZ PHE A 45 17.851 27.047 14.621 1.00 49.88 H new ATOM 736 N ALA A 46 19.632 29.494 19.469 1.00 49.53 N ATOM 737 CA ALA A 46 18.340 29.294 20.157 1.00 50.07 C ATOM 738 C ALA A 46 18.557 29.443 21.655 1.00 50.51 C ATOM 739 O ALA A 46 17.872 28.821 22.480 1.00 49.49 O ATOM 740 CB ALA A 46 17.768 27.953 19.829 1.00 49.73 C ATOM 0 H ALA A 46 19.634 30.283 18.823 1.00 49.53 H new ATOM 0 HA ALA A 46 17.624 30.043 19.819 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.817 27.827 20.346 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.609 27.879 18.753 1.00 49.73 H new ATOM 0 HB3 ALA A 46 18.461 27.174 20.148 1.00 49.73 H new ATOM 746 N GLY A 47 19.572 30.191 21.979 1.00 49.53 N ATOM 747 CA GLY A 47 20.051 30.524 23.287 1.00 49.98 C ATOM 748 C GLY A 47 20.533 29.266 23.959 1.00 50.51 C ATOM 749 O GLY A 47 20.752 29.267 25.190 1.00 49.49 O ATOM 0 H GLY A 47 20.143 30.628 21.256 1.00 49.53 H new ATOM 0 HA2 GLY A 47 20.861 31.250 23.219 1.00 49.98 H new ATOM 0 HA3 GLY A 47 19.257 30.986 23.874 1.00 49.98 H new ATOM 753 N LYS A 48 20.759 28.219 23.212 1.00 49.53 N ATOM 754 CA LYS A 48 21.278 26.957 23.756 1.00 50.07 C ATOM 755 C LYS A 48 22.785 26.835 23.462 1.00 50.51 C ATOM 756 O LYS A 48 23.196 27.225 22.379 1.00 49.49 O ATOM 757 CB LYS A 48 20.524 25.764 23.169 1.00 49.82 C ATOM 758 CG LYS A 48 19.019 25.794 23.404 1.00 49.82 C ATOM 759 CD LYS A 48 18.677 25.434 24.841 1.00 49.82 C ATOM 760 CE LYS A 48 17.172 25.434 25.070 1.00 50.21 C ATOM 761 NZ LYS A 48 16.825 25.179 26.494 1.00 49.70 N ATOM 0 H LYS A 48 20.594 28.200 22.206 1.00 49.53 H new ATOM 0 HA LYS A 48 21.127 26.958 24.836 1.00 50.07 H new ATOM 0 HB2 LYS A 48 20.711 25.723 22.096 1.00 49.82 H new ATOM 0 HB3 LYS A 48 20.928 24.847 23.598 1.00 49.82 H new ATOM 0 HG2 LYS A 48 18.633 26.787 23.174 1.00 49.82 H new ATOM 0 HG3 LYS A 48 18.529 25.096 22.725 1.00 49.82 H new ATOM 0 HD2 LYS A 48 19.083 24.450 25.078 1.00 49.82 H new ATOM 0 HD3 LYS A 48 19.150 26.145 25.518 1.00 49.82 H new ATOM 0 HE2 LYS A 48 16.759 26.395 24.762 1.00 50.21 H new ATOM 0 HE3 LYS A 48 16.710 24.672 24.442 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 15.791 25.187 26.606 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 17.197 24.251 26.781 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 17.244 25.920 27.091 1.00 49.70 H new ATOM 775 N GLN A 49 23.544 26.306 24.383 1.00 49.53 N ATOM 776 CA GLN A 49 24.987 26.051 24.109 1.00 50.07 C ATOM 777 C GLN A 49 25.192 24.826 23.221 1.00 50.51 C ATOM 778 O GLN A 49 24.252 23.994 23.118 1.00 49.49 O ATOM 779 CB GLN A 49 25.755 25.868 25.421 1.00 49.82 C ATOM 780 CG GLN A 49 25.364 24.624 26.202 1.00 49.82 C ATOM 781 CD GLN A 49 25.880 24.651 27.628 1.00 50.55 C ATOM 782 OE1 GLN A 49 25.265 25.251 28.514 1.00 49.45 O ATOM 783 NE2 GLN A 49 27.016 24.003 27.858 1.00 49.38 N ATOM 0 H GLN A 49 23.226 26.039 25.315 1.00 49.53 H new ATOM 0 HA GLN A 49 25.372 26.921 23.577 1.00 50.07 H new ATOM 0 HB2 GLN A 49 26.822 25.826 25.202 1.00 49.82 H new ATOM 0 HB3 GLN A 49 25.593 26.744 26.049 1.00 49.82 H new ATOM 0 HG2 GLN A 49 24.278 24.532 26.213 1.00 49.82 H new ATOM 0 HG3 GLN A 49 25.754 23.742 25.694 1.00 49.82 H new ATOM 0 HE21 GLN A 49 27.491 23.520 27.095 1.00 49.38 H new ATOM 0 HE22 GLN A 49 27.413 23.988 28.797 1.00 49.38 H new ATOM 792 N LEU A 50 26.304 24.749 22.531 1.00 49.53 N ATOM 793 CA LEU A 50 26.565 23.657 21.577 1.00 50.07 C ATOM 794 C LEU A 50 27.619 22.770 22.220 1.00 50.51 C ATOM 795 O LEU A 50 28.459 23.305 22.916 1.00 49.49 O ATOM 796 CB LEU A 50 27.049 24.210 20.232 1.00 49.82 C ATOM 797 CG LEU A 50 26.133 25.259 19.589 1.00 49.91 C ATOM 798 CD1 LEU A 50 26.767 25.795 18.313 1.00 49.73 C ATOM 799 CD2 LEU A 50 24.775 24.639 19.297 1.00 49.73 C ATOM 0 H LEU A 50 27.061 25.429 22.602 1.00 49.53 H new ATOM 0 HA LEU A 50 25.657 23.091 21.367 1.00 50.07 H new ATOM 0 HB2 LEU A 50 28.036 24.650 20.372 1.00 49.82 H new ATOM 0 HB3 LEU A 50 27.167 23.379 19.537 1.00 49.82 H new ATOM 0 HG LEU A 50 25.997 26.093 20.278 1.00 49.91 H new ATOM 0 HD11 LEU A 50 26.109 26.539 17.864 1.00 49.73 H new ATOM 0 HD12 LEU A 50 27.727 26.255 18.549 1.00 49.73 H new ATOM 0 HD13 LEU A 50 26.920 24.976 17.611 1.00 49.73 H new ATOM 0 HD21 LEU A 50 24.125 25.385 18.840 1.00 49.73 H new ATOM 0 HD22 LEU A 50 24.898 23.798 18.614 1.00 49.73 H new ATOM 0 HD23 LEU A 50 24.327 24.289 20.227 1.00 49.73 H new ATOM 811 N GLU A 51 27.557 21.463 21.964 1.00 49.53 N ATOM 812 CA GLU A 51 28.515 20.528 22.591 1.00 50.07 C ATOM 813 C GLU A 51 29.635 20.440 21.592 1.00 50.51 C ATOM 814 O GLU A 51 29.365 20.398 20.393 1.00 49.49 O ATOM 815 CB GLU A 51 27.881 19.158 22.844 1.00 49.82 C ATOM 816 CG GLU A 51 28.760 18.194 23.628 1.00 49.72 C ATOM 817 CD GLU A 51 28.148 16.822 23.688 1.00 50.62 C ATOM 818 OE1 GLU A 51 27.076 16.647 23.161 1.00 49.24 O ATOM 819 OE2 GLU A 51 28.802 15.922 24.160 1.00 49.24 O ATOM 0 H GLU A 51 26.874 21.027 21.344 1.00 49.53 H new ATOM 0 HA GLU A 51 28.851 20.868 23.570 1.00 50.07 H new ATOM 0 HB2 GLU A 51 26.945 19.299 23.384 1.00 49.82 H new ATOM 0 HB3 GLU A 51 27.630 18.704 21.885 1.00 49.82 H new ATOM 0 HG2 GLU A 51 29.744 18.136 23.163 1.00 49.72 H new ATOM 0 HG3 GLU A 51 28.907 18.573 24.639 1.00 49.72 H new ATOM 826 N ASP A 52 30.877 20.406 22.008 1.00 49.53 N ATOM 827 CA ASP A 52 32.068 20.408 21.166 1.00 50.07 C ATOM 828 C ASP A 52 32.068 19.318 20.108 1.00 50.51 C ATOM 829 O ASP A 52 32.390 19.625 18.925 1.00 49.49 O ATOM 830 CB ASP A 52 33.325 20.283 22.031 1.00 49.72 C ATOM 831 CG ASP A 52 33.672 21.539 22.819 1.00 50.62 C ATOM 832 OD1 ASP A 52 33.255 22.600 22.422 1.00 49.24 O ATOM 833 OD2 ASP A 52 34.215 21.411 23.891 1.00 49.24 O ATOM 0 H ASP A 52 31.107 20.374 23.001 1.00 49.53 H new ATOM 0 HA ASP A 52 32.063 21.360 20.636 1.00 50.07 H new ATOM 0 HB2 ASP A 52 33.191 19.456 22.729 1.00 49.72 H new ATOM 0 HB3 ASP A 52 34.168 20.026 21.390 1.00 49.72 H new ATOM 838 N GLY A 53 31.849 18.083 20.499 1.00 49.53 N ATOM 839 CA GLY A 53 31.874 16.908 19.607 1.00 49.98 C ATOM 840 C GLY A 53 30.632 16.501 18.887 1.00 50.51 C ATOM 841 O GLY A 53 30.443 15.307 18.562 1.00 49.49 O ATOM 0 H GLY A 53 31.642 17.844 21.469 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.643 17.086 18.855 1.00 49.98 H new ATOM 0 HA3 GLY A 53 32.201 16.055 20.201 1.00 49.98 H new ATOM 845 N ARG A 54 29.729 17.425 18.579 1.00 49.53 N ATOM 846 CA ARG A 54 28.513 17.110 17.802 1.00 50.07 C ATOM 847 C ARG A 54 28.467 17.852 16.474 1.00 50.51 C ATOM 848 O ARG A 54 29.222 18.823 16.262 1.00 49.49 O ATOM 849 CB ARG A 54 27.245 17.346 18.610 1.00 49.82 C ATOM 850 CG ARG A 54 27.137 16.527 19.886 1.00 49.82 C ATOM 851 CD ARG A 54 26.685 15.127 19.679 1.00 50.20 C ATOM 852 NE ARG A 54 25.294 14.997 19.277 1.00 49.30 N ATOM 853 CZ ARG A 54 24.669 13.825 19.051 1.00 50.64 C ATOM 854 NH1 ARG A 54 25.314 12.684 19.149 1.00 49.20 N ATOM 855 NH2 ARG A 54 23.394 13.853 18.704 1.00 49.20 N ATOM 0 H ARG A 54 29.807 18.405 18.852 1.00 49.53 H new ATOM 0 HA ARG A 54 28.563 16.046 17.573 1.00 50.07 H new ATOM 0 HB2 ARG A 54 27.188 18.403 18.868 1.00 49.82 H new ATOM 0 HB3 ARG A 54 26.384 17.125 17.980 1.00 49.82 H new ATOM 0 HG2 ARG A 54 28.110 16.513 20.378 1.00 49.82 H new ATOM 0 HG3 ARG A 54 26.443 17.024 20.565 1.00 49.82 H new ATOM 0 HD2 ARG A 54 27.315 14.664 18.919 1.00 50.20 H new ATOM 0 HD3 ARG A 54 26.837 14.569 20.603 1.00 50.20 H new ATOM 0 HE ARG A 54 24.753 15.853 19.158 1.00 49.30 H new ATOM 0 HH11 ARG A 54 26.303 12.677 19.399 1.00 49.20 H new ATOM 0 HH12 ARG A 54 24.826 11.806 18.975 1.00 49.20 H new ATOM 0 HH21 ARG A 54 22.910 14.746 18.614 1.00 49.20 H new ATOM 0 HH22 ARG A 54 22.895 12.982 18.526 1.00 49.20 H new ATOM 869 N THR A 55 27.541 17.479 15.627 1.00 49.53 N ATOM 870 CA THR A 55 27.307 18.125 14.316 1.00 50.07 C ATOM 871 C THR A 55 26.011 18.969 14.267 1.00 50.51 C ATOM 872 O THR A 55 25.039 18.650 14.943 1.00 49.49 O ATOM 873 CB THR A 55 27.258 17.084 13.183 1.00 50.14 C ATOM 874 OG1 THR A 55 26.002 16.396 13.215 1.00 49.34 O ATOM 875 CG2 THR A 55 28.387 16.076 13.336 1.00 49.73 C ATOM 0 H THR A 55 26.904 16.704 15.813 1.00 49.53 H new ATOM 0 HA THR A 55 28.152 18.799 14.176 1.00 50.07 H new ATOM 0 HB THR A 55 27.372 17.602 12.231 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.539 16.519 12.360 1.00 49.34 H new ATOM 0 HG21 THR A 55 28.337 15.348 12.527 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.345 16.594 13.299 1.00 49.73 H new ATOM 0 HG23 THR A 55 28.289 15.563 14.292 1.00 49.73 H new ATOM 883 N LEU A 56 26.042 20.009 13.460 1.00 49.53 N ATOM 884 CA LEU A 56 24.873 20.881 13.251 1.00 50.07 C ATOM 885 C LEU A 56 23.660 20.016 12.920 1.00 50.51 C ATOM 886 O LEU A 56 22.603 20.299 13.415 1.00 49.49 O ATOM 887 CB LEU A 56 25.146 21.889 12.127 1.00 49.82 C ATOM 888 CG LEU A 56 26.197 22.957 12.450 1.00 49.91 C ATOM 889 CD1 LEU A 56 26.646 23.651 11.171 1.00 49.73 C ATOM 890 CD2 LEU A 56 25.616 23.962 13.433 1.00 49.73 C ATOM 0 H LEU A 56 26.867 20.284 12.927 1.00 49.53 H new ATOM 0 HA LEU A 56 24.674 21.446 14.161 1.00 50.07 H new ATOM 0 HB2 LEU A 56 25.467 21.342 11.240 1.00 49.82 H new ATOM 0 HB3 LEU A 56 24.211 22.388 11.873 1.00 49.82 H new ATOM 0 HG LEU A 56 27.067 22.484 12.905 1.00 49.91 H new ATOM 0 HD11 LEU A 56 27.393 24.408 11.411 1.00 49.73 H new ATOM 0 HD12 LEU A 56 27.079 22.917 10.491 1.00 49.73 H new ATOM 0 HD13 LEU A 56 25.788 24.126 10.694 1.00 49.73 H new ATOM 0 HD21 LEU A 56 26.364 24.721 13.662 1.00 49.73 H new ATOM 0 HD22 LEU A 56 24.740 24.437 12.992 1.00 49.73 H new ATOM 0 HD23 LEU A 56 25.327 23.449 14.350 1.00 49.73 H new ATOM 902 N SER A 57 23.873 18.913 12.173 1.00 49.53 N ATOM 903 CA SER A 57 22.692 18.077 11.840 1.00 50.07 C ATOM 904 C SER A 57 22.130 17.376 13.057 1.00 50.51 C ATOM 905 O SER A 57 20.962 16.883 13.028 1.00 49.49 O ATOM 906 CB SER A 57 23.059 17.063 10.774 1.00 50.05 C ATOM 907 OG SER A 57 23.993 16.127 11.238 1.00 49.34 O ATOM 0 H SER A 57 24.772 18.595 11.812 1.00 49.53 H new ATOM 0 HA SER A 57 21.915 18.741 11.460 1.00 50.07 H new ATOM 0 HB2 SER A 57 22.160 16.544 10.443 1.00 50.05 H new ATOM 0 HB3 SER A 57 23.466 17.581 9.906 1.00 50.05 H new ATOM 0 HG SER A 57 24.202 15.491 10.522 1.00 49.34 H new ATOM 913 N ASP A 58 22.893 17.336 14.134 1.00 49.53 N ATOM 914 CA ASP A 58 22.436 16.677 15.386 1.00 50.07 C ATOM 915 C ASP A 58 21.555 17.639 16.190 1.00 50.51 C ATOM 916 O ASP A 58 21.242 17.424 17.365 1.00 49.49 O ATOM 917 CB ASP A 58 23.632 16.223 16.227 1.00 49.72 C ATOM 918 CG ASP A 58 24.451 15.101 15.602 1.00 50.62 C ATOM 919 OD1 ASP A 58 23.882 14.291 14.910 1.00 49.24 O ATOM 920 OD2 ASP A 58 25.654 15.151 15.691 1.00 49.24 O ATOM 0 H ASP A 58 23.827 17.743 14.187 1.00 49.53 H new ATOM 0 HA ASP A 58 21.851 15.796 15.122 1.00 50.07 H new ATOM 0 HB2 ASP A 58 24.284 17.079 16.401 1.00 49.72 H new ATOM 0 HB3 ASP A 58 23.271 15.894 17.201 1.00 49.72 H new ATOM 925 N TYR A 59 21.369 18.805 15.643 1.00 49.53 N ATOM 926 CA TYR A 59 20.552 19.865 16.229 1.00 50.07 C ATOM 927 C TYR A 59 19.422 20.316 15.331 1.00 50.51 C ATOM 928 O TYR A 59 18.793 21.341 15.659 1.00 49.49 O ATOM 929 CB TYR A 59 21.428 21.065 16.595 1.00 49.82 C ATOM 930 CG TYR A 59 22.422 20.783 17.701 1.00 50.00 C ATOM 931 CD1 TYR A 59 22.025 20.776 19.029 1.00 49.88 C ATOM 932 CD2 TYR A 59 23.755 20.528 17.412 1.00 49.88 C ATOM 933 CE1 TYR A 59 22.927 20.519 20.043 1.00 49.88 C ATOM 934 CE2 TYR A 59 24.667 20.269 18.417 1.00 49.88 C ATOM 935 CZ TYR A 59 24.249 20.266 19.733 1.00 50.11 C ATOM 936 OH TYR A 59 25.152 20.012 20.739 1.00 49.46 O ATOM 0 H TYR A 59 21.787 19.067 14.750 1.00 49.53 H new ATOM 0 HA TYR A 59 20.097 19.442 17.124 1.00 50.07 H new ATOM 0 HB2 TYR A 59 21.970 21.391 15.707 1.00 49.82 H new ATOM 0 HB3 TYR A 59 20.786 21.892 16.899 1.00 49.82 H new ATOM 0 HD1 TYR A 59 20.992 20.975 19.275 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.085 20.532 16.384 1.00 49.88 H new ATOM 0 HE1 TYR A 59 22.600 20.516 21.072 1.00 49.88 H new ATOM 0 HE2 TYR A 59 25.701 20.070 18.175 1.00 49.88 H new ATOM 0 HH TYR A 59 25.855 19.416 20.405 1.00 49.46 H new ATOM 946 N ASN A 60 19.094 19.642 14.249 1.00 49.53 N ATOM 947 CA ASN A 60 17.981 20.119 13.401 1.00 50.07 C ATOM 948 C ASN A 60 18.178 21.589 13.052 1.00 50.51 C ATOM 949 O ASN A 60 17.212 22.375 12.999 1.00 49.49 O ATOM 950 CB ASN A 60 16.637 19.909 14.073 1.00 49.82 C ATOM 951 CG ASN A 60 15.518 19.622 13.110 1.00 50.55 C ATOM 952 OD1 ASN A 60 15.746 19.217 11.964 1.00 49.45 O ATOM 953 ND2 ASN A 60 14.316 19.908 13.540 1.00 49.38 N ATOM 0 H ASN A 60 19.553 18.789 13.929 1.00 49.53 H new ATOM 0 HA ASN A 60 17.985 19.532 12.483 1.00 50.07 H new ATOM 0 HB2 ASN A 60 16.719 19.082 14.778 1.00 49.82 H new ATOM 0 HB3 ASN A 60 16.387 20.798 14.652 1.00 49.82 H new ATOM 0 HD21 ASN A 60 13.513 19.800 12.920 1.00 49.38 H new ATOM 0 HD22 ASN A 60 14.181 20.239 14.495 1.00 49.38 H new ATOM 960 N ILE A 61 19.406 21.976 12.776 1.00 49.53 N ATOM 961 CA ILE A 61 19.699 23.373 12.332 1.00 50.07 C ATOM 962 C ILE A 61 18.875 23.695 11.089 1.00 50.51 C ATOM 963 O ILE A 61 19.131 22.984 10.073 1.00 49.49 O ATOM 964 CB ILE A 61 21.193 23.573 12.022 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.028 23.420 13.296 1.00 49.82 C ATOM 966 CG2 ILE A 61 21.427 24.936 11.389 1.00 49.73 C ATOM 967 CD1 ILE A 61 21.843 24.546 14.287 1.00 49.73 C ATOM 0 H ILE A 61 20.225 21.371 12.842 1.00 49.53 H new ATOM 0 HA ILE A 61 19.433 24.046 13.147 1.00 50.07 H new ATOM 0 HB ILE A 61 21.505 22.807 11.312 1.00 49.91 H new ATOM 0 HG12 ILE A 61 21.768 22.478 13.778 1.00 49.82 H new ATOM 0 HG13 ILE A 61 23.082 23.358 13.023 1.00 49.82 H new ATOM 0 HG21 ILE A 61 22.489 25.061 11.176 1.00 49.73 H new ATOM 0 HG22 ILE A 61 20.860 25.008 10.461 1.00 49.73 H new ATOM 0 HG23 ILE A 61 21.100 25.717 12.076 1.00 49.73 H new ATOM 0 HD11 ILE A 61 22.467 24.366 15.163 1.00 49.73 H new ATOM 0 HD12 ILE A 61 22.131 25.490 13.824 1.00 49.73 H new ATOM 0 HD13 ILE A 61 20.797 24.595 14.591 1.00 49.73 H new ATOM 979 N GLN A 62 17.979 24.639 11.160 1.00 49.53 N ATOM 980 CA GLN A 62 17.067 24.997 10.035 1.00 50.07 C ATOM 981 C GLN A 62 17.628 25.884 8.921 1.00 50.51 C ATOM 982 O GLN A 62 18.849 26.121 8.876 1.00 49.49 O ATOM 983 CB GLN A 62 15.806 25.662 10.593 1.00 49.82 C ATOM 984 CG GLN A 62 14.855 24.705 11.292 1.00 49.82 C ATOM 985 CD GLN A 62 13.544 25.366 11.672 1.00 50.55 C ATOM 986 OE1 GLN A 62 13.276 26.510 11.294 1.00 49.45 O ATOM 987 NE2 GLN A 62 12.720 24.651 12.429 1.00 49.38 N ATOM 0 H GLN A 62 17.835 25.206 11.996 1.00 49.53 H new ATOM 0 HA GLN A 62 16.876 24.039 9.551 1.00 50.07 H new ATOM 0 HB2 GLN A 62 16.100 26.442 11.295 1.00 49.82 H new ATOM 0 HB3 GLN A 62 15.276 26.152 9.777 1.00 49.82 H new ATOM 0 HG2 GLN A 62 14.654 23.855 10.639 1.00 49.82 H new ATOM 0 HG3 GLN A 62 15.334 24.312 12.189 1.00 49.82 H new ATOM 0 HE21 GLN A 62 12.982 23.709 12.719 1.00 49.38 H new ATOM 0 HE22 GLN A 62 11.825 25.044 12.721 1.00 49.38 H new ATOM 996 N LYS A 63 16.773 26.355 8.014 1.00 49.53 N ATOM 997 CA LYS A 63 17.195 27.149 6.881 1.00 50.07 C ATOM 998 C LYS A 63 17.598 28.535 7.374 1.00 50.51 C ATOM 999 O LYS A 63 17.086 29.076 8.341 1.00 49.49 O ATOM 1000 CB LYS A 63 16.077 27.252 5.842 1.00 49.82 C ATOM 1001 CG LYS A 63 15.745 25.941 5.142 1.00 49.82 C ATOM 1002 CD LYS A 63 14.654 26.133 4.099 1.00 49.82 C ATOM 1003 CE LYS A 63 14.283 24.813 3.437 1.00 50.21 C ATOM 1004 NZ LYS A 63 13.229 24.987 2.402 1.00 49.70 N ATOM 0 H LYS A 63 15.767 26.191 8.052 1.00 49.53 H new ATOM 0 HA LYS A 63 18.048 26.669 6.401 1.00 50.07 H new ATOM 0 HB2 LYS A 63 15.177 27.627 6.330 1.00 49.82 H new ATOM 0 HB3 LYS A 63 16.363 27.989 5.091 1.00 49.82 H new ATOM 0 HG2 LYS A 63 16.641 25.544 4.665 1.00 49.82 H new ATOM 0 HG3 LYS A 63 15.422 25.205 5.878 1.00 49.82 H new ATOM 0 HD2 LYS A 63 13.771 26.567 4.569 1.00 49.82 H new ATOM 0 HD3 LYS A 63 14.993 26.840 3.341 1.00 49.82 H new ATOM 0 HE2 LYS A 63 15.170 24.374 2.981 1.00 50.21 H new ATOM 0 HE3 LYS A 63 13.934 24.112 4.196 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 13.005 24.065 1.976 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 12.373 25.382 2.841 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 13.571 25.636 1.664 1.00 49.70 H new ATOM 1018 N GLU A 64 18.641 29.038 6.697 1.00 49.53 N ATOM 1019 CA GLU A 64 19.239 30.326 6.927 1.00 50.07 C ATOM 1020 C GLU A 64 19.281 30.839 8.336 1.00 50.51 C ATOM 1021 O GLU A 64 19.336 32.066 8.601 1.00 49.49 O ATOM 1022 CB GLU A 64 18.552 31.369 6.045 1.00 49.82 C ATOM 1023 CG GLU A 64 18.676 31.108 4.550 1.00 49.72 C ATOM 1024 CD GLU A 64 17.843 32.076 3.756 1.00 50.62 C ATOM 1025 OE1 GLU A 64 17.183 32.892 4.353 1.00 49.24 O ATOM 1026 OE2 GLU A 64 17.953 32.074 2.552 1.00 49.24 O ATOM 0 H GLU A 64 19.098 28.522 5.945 1.00 49.53 H new ATOM 0 HA GLU A 64 20.287 30.165 6.673 1.00 50.07 H new ATOM 0 HB2 GLU A 64 17.495 31.410 6.308 1.00 49.82 H new ATOM 0 HB3 GLU A 64 18.974 32.349 6.267 1.00 49.82 H new ATOM 0 HG2 GLU A 64 19.720 31.192 4.249 1.00 49.72 H new ATOM 0 HG3 GLU A 64 18.362 30.088 4.329 1.00 49.72 H new ATOM 1033 N SER A 65 19.556 29.924 9.253 1.00 49.53 N ATOM 1034 CA SER A 65 19.753 30.233 10.674 1.00 50.07 C ATOM 1035 C SER A 65 21.018 31.093 10.909 1.00 50.51 C ATOM 1036 O SER A 65 21.995 30.969 10.179 1.00 49.49 O ATOM 1037 CB SER A 65 19.835 28.950 11.478 1.00 50.05 C ATOM 1038 OG SER A 65 18.636 28.225 11.434 1.00 49.34 O ATOM 0 H SER A 65 19.651 28.932 9.036 1.00 49.53 H new ATOM 0 HA SER A 65 18.895 30.816 11.007 1.00 50.07 H new ATOM 0 HB2 SER A 65 20.646 28.332 11.093 1.00 50.05 H new ATOM 0 HB3 SER A 65 20.078 29.186 12.514 1.00 50.05 H new ATOM 0 HG SER A 65 18.717 27.498 10.782 1.00 49.34 H new ATOM 1044 N THR A 66 20.972 31.957 11.889 1.00 49.53 N ATOM 1045 CA THR A 66 22.126 32.775 12.281 1.00 50.07 C ATOM 1046 C THR A 66 22.755 32.249 13.570 1.00 50.51 C ATOM 1047 O THR A 66 21.999 31.786 14.453 1.00 49.49 O ATOM 1048 CB THR A 66 21.734 34.251 12.476 1.00 50.14 C ATOM 1049 OG1 THR A 66 20.852 34.369 13.602 1.00 49.34 O ATOM 1050 CG2 THR A 66 21.037 34.787 11.235 1.00 49.73 C ATOM 0 H THR A 66 20.137 32.125 12.450 1.00 49.53 H new ATOM 0 HA THR A 66 22.851 32.709 11.470 1.00 50.07 H new ATOM 0 HB THR A 66 22.640 34.831 12.651 1.00 50.14 H new ATOM 0 HG1 THR A 66 20.604 35.309 13.726 1.00 49.34 H new ATOM 0 HG21 THR A 66 20.767 35.831 11.392 1.00 49.73 H new ATOM 0 HG22 THR A 66 21.707 34.710 10.379 1.00 49.73 H new ATOM 0 HG23 THR A 66 20.136 34.204 11.044 1.00 49.73 H new ATOM 1058 N LEU A 67 24.085 32.323 13.688 1.00 49.53 N ATOM 1059 CA LEU A 67 24.741 31.935 14.942 1.00 50.07 C ATOM 1060 C LEU A 67 25.309 33.203 15.614 1.00 50.51 C ATOM 1061 O LEU A 67 25.548 34.140 14.837 1.00 49.49 O ATOM 1062 CB LEU A 67 25.854 30.913 14.676 1.00 49.82 C ATOM 1063 CG LEU A 67 25.394 29.604 14.022 1.00 49.91 C ATOM 1064 CD1 LEU A 67 26.559 28.627 13.935 1.00 49.73 C ATOM 1065 CD2 LEU A 67 24.249 29.007 14.826 1.00 49.73 C ATOM 0 H LEU A 67 24.715 32.639 12.951 1.00 49.53 H new ATOM 0 HA LEU A 67 24.016 31.464 15.606 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.605 31.376 14.036 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.342 30.677 15.621 1.00 49.82 H new ATOM 0 HG LEU A 67 25.042 29.807 13.011 1.00 49.91 H new ATOM 0 HD11 LEU A 67 26.223 27.701 13.469 1.00 49.73 H new ATOM 0 HD12 LEU A 67 27.357 29.065 13.336 1.00 49.73 H new ATOM 0 HD13 LEU A 67 26.932 28.415 14.937 1.00 49.73 H new ATOM 0 HD21 LEU A 67 23.923 28.077 14.360 1.00 49.73 H new ATOM 0 HD22 LEU A 67 24.585 28.805 15.843 1.00 49.73 H new ATOM 0 HD23 LEU A 67 23.417 29.711 14.852 1.00 49.73 H new ATOM 1077 N HIS A 68 25.493 33.177 16.886 1.00 49.53 N ATOM 1078 CA HIS A 68 26.082 34.359 17.560 1.00 50.07 C ATOM 1079 C HIS A 68 27.399 33.987 18.236 1.00 50.51 C ATOM 1080 O HIS A 68 27.537 32.881 18.802 1.00 49.49 O ATOM 1081 CB HIS A 68 25.106 34.939 18.590 1.00 49.92 C ATOM 1082 CG HIS A 68 23.747 35.231 18.034 1.00 50.22 C ATOM 1083 ND1 HIS A 68 23.376 36.486 17.596 1.00 49.30 N ATOM 1084 CD2 HIS A 68 22.671 34.433 17.844 1.00 49.95 C ATOM 1085 CE1 HIS A 68 22.129 36.445 17.160 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.679 35.211 17.300 1.00 49.64 N ATOM 0 H HIS A 68 25.264 32.392 17.496 1.00 49.53 H new ATOM 0 HA HIS A 68 26.278 35.119 16.803 1.00 50.07 H new ATOM 0 HB2 HIS A 68 25.007 34.238 19.418 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.527 35.858 18.999 1.00 49.92 H new ATOM 0 HD2 HIS A 68 22.605 33.380 18.077 1.00 49.95 H new ATOM 0 HE1 HIS A 68 21.573 37.279 16.758 1.00 50.25 H new ATOM 0 HE2 HIS A 68 20.746 34.888 17.045 1.00 49.64 H new ATOM 1094 N LEU A 69 28.346 34.910 18.240 1.00 49.53 N ATOM 1095 CA LEU A 69 29.624 34.709 18.917 1.00 50.07 C ATOM 1096 C LEU A 69 29.622 35.306 20.291 1.00 50.51 C ATOM 1097 O LEU A 69 29.110 36.473 20.433 1.00 49.49 O ATOM 1098 CB LEU A 69 30.763 35.304 18.080 1.00 49.82 C ATOM 1099 CG LEU A 69 32.129 35.351 18.777 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.602 33.940 19.096 1.00 49.73 C ATOM 1101 CD2 LEU A 69 33.131 36.067 17.885 1.00 49.73 C ATOM 0 H LEU A 69 28.256 35.815 17.779 1.00 49.53 H new ATOM 0 HA LEU A 69 29.780 33.635 19.024 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.861 34.723 17.163 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.487 36.317 17.788 1.00 49.82 H new ATOM 0 HG LEU A 69 32.039 35.900 19.714 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.572 33.985 19.590 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.881 33.455 19.754 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.692 33.369 18.172 1.00 49.73 H new ATOM 0 HD21 LEU A 69 34.101 36.100 18.381 1.00 49.73 H new ATOM 0 HD22 LEU A 69 33.224 35.532 16.940 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.787 37.083 17.694 1.00 49.73 H new ATOM 1113 N VAL A 70 30.012 34.593 21.297 1.00 49.53 N ATOM 1114 CA VAL A 70 30.129 35.178 22.664 1.00 50.07 C ATOM 1115 C VAL A 70 31.635 35.063 22.944 1.00 50.51 C ATOM 1116 O VAL A 70 32.239 34.017 22.609 1.00 49.49 O ATOM 1117 CB VAL A 70 29.323 34.397 23.719 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.649 34.900 25.118 1.00 49.73 C ATOM 1119 CG2 VAL A 70 27.832 34.517 23.445 1.00 49.73 C ATOM 0 H VAL A 70 30.262 33.606 21.236 1.00 49.53 H new ATOM 0 HA VAL A 70 29.734 36.193 22.715 1.00 50.07 H new ATOM 0 HB VAL A 70 29.602 33.345 23.657 1.00 49.91 H new ATOM 0 HG11 VAL A 70 29.071 34.337 25.851 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.713 34.766 25.314 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.397 35.958 25.192 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.277 33.959 24.200 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.539 35.566 23.481 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.610 34.112 22.458 1.00 49.73 H new ATOM 1129 N LEU A 71 32.229 36.091 23.503 1.00 49.53 N ATOM 1130 CA LEU A 71 33.670 36.051 23.838 1.00 50.07 C ATOM 1131 C LEU A 71 33.861 35.755 25.302 1.00 50.51 C ATOM 1132 O LEU A 71 33.312 36.454 26.178 1.00 49.49 O ATOM 1133 CB LEU A 71 34.341 37.379 23.466 1.00 49.82 C ATOM 1134 CG LEU A 71 34.504 37.630 21.961 1.00 49.91 C ATOM 1135 CD1 LEU A 71 35.088 39.016 21.722 1.00 49.73 C ATOM 1136 CD2 LEU A 71 35.399 36.556 21.360 1.00 49.73 C ATOM 0 H LEU A 71 31.760 36.965 23.741 1.00 49.53 H new ATOM 0 HA LEU A 71 34.139 35.253 23.262 1.00 50.07 H new ATOM 0 HB2 LEU A 71 33.757 38.195 23.893 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.326 37.413 23.932 1.00 49.82 H new ATOM 0 HG LEU A 71 33.528 37.584 21.477 1.00 49.91 H new ATOM 0 HD11 LEU A 71 35.200 39.184 20.651 1.00 49.73 H new ATOM 0 HD12 LEU A 71 34.420 39.769 22.140 1.00 49.73 H new ATOM 0 HD13 LEU A 71 36.063 39.088 22.204 1.00 49.73 H new ATOM 0 HD21 LEU A 71 35.514 36.735 20.291 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.377 36.586 21.841 1.00 49.73 H new ATOM 0 HD23 LEU A 71 34.948 35.576 21.517 1.00 49.73 H new ATOM 1148 N ARG A 72 34.645 34.791 25.612 1.00 49.53 N ATOM 1149 CA ARG A 72 34.976 34.422 27.005 1.00 50.07 C ATOM 1150 C ARG A 72 36.448 34.655 27.337 1.00 50.51 C ATOM 1151 O ARG A 72 37.235 33.868 26.721 1.00 49.49 O ATOM 1152 CB ARG A 72 34.556 32.996 27.330 1.00 49.82 C ATOM 1153 CG ARG A 72 34.793 32.573 28.771 1.00 49.82 C ATOM 1154 CD ARG A 72 33.885 33.215 29.756 1.00 50.20 C ATOM 1155 NE ARG A 72 34.045 32.742 31.121 1.00 49.30 N ATOM 1156 CZ ARG A 72 33.478 33.314 32.201 1.00 50.64 C ATOM 1157 NH1 ARG A 72 32.743 34.398 32.085 1.00 49.20 N ATOM 1158 NH2 ARG A 72 33.697 32.769 33.384 1.00 49.20 N ATOM 0 H ARG A 72 35.102 34.202 24.916 1.00 49.53 H new ATOM 0 HA ARG A 72 34.397 35.090 27.643 1.00 50.07 H new ATOM 0 HB2 ARG A 72 33.496 32.884 27.103 1.00 49.82 H new ATOM 0 HB3 ARG A 72 35.096 32.315 26.673 1.00 49.82 H new ATOM 0 HG2 ARG A 72 34.680 31.491 28.843 1.00 49.82 H new ATOM 0 HG3 ARG A 72 35.824 32.805 29.040 1.00 49.82 H new ATOM 0 HD2 ARG A 72 34.051 34.292 29.736 1.00 50.20 H new ATOM 0 HD3 ARG A 72 32.854 33.046 29.445 1.00 50.20 H new ATOM 0 HE ARG A 72 34.628 31.919 31.272 1.00 49.30 H new ATOM 0 HH11 ARG A 72 32.595 34.818 31.167 1.00 49.20 H new ATOM 0 HH12 ARG A 72 32.321 34.819 32.913 1.00 49.20 H new ATOM 0 HH21 ARG A 72 34.282 31.937 33.462 1.00 49.20 H new ATOM 0 HH22 ARG A 72 33.281 33.180 34.220 1.00 49.20 H new ATOM 1172 N LEU A 73 36.800 35.577 28.171 1.00 49.53 N ATOM 1173 CA LEU A 73 38.237 35.797 28.471 1.00 50.07 C ATOM 1174 C LEU A 73 38.565 35.074 29.770 1.00 50.51 C ATOM 1175 O LEU A 73 37.684 34.823 30.606 1.00 49.49 O ATOM 1176 CB LEU A 73 38.544 37.296 28.584 1.00 49.82 C ATOM 1177 CG LEU A 73 38.463 38.080 27.269 1.00 49.91 C ATOM 1178 CD1 LEU A 73 38.695 39.562 27.529 1.00 49.73 C ATOM 1179 CD2 LEU A 73 39.493 37.537 26.289 1.00 49.73 C ATOM 0 H LEU A 73 36.154 36.194 28.663 1.00 49.53 H new ATOM 0 HA LEU A 73 38.853 35.402 27.663 1.00 50.07 H new ATOM 0 HB2 LEU A 73 37.849 37.740 29.297 1.00 49.82 H new ATOM 0 HB3 LEU A 73 39.545 37.415 28.998 1.00 49.82 H new ATOM 0 HG LEU A 73 37.470 37.961 26.836 1.00 49.91 H new ATOM 0 HD11 LEU A 73 38.635 40.110 26.589 1.00 49.73 H new ATOM 0 HD12 LEU A 73 37.934 39.935 28.215 1.00 49.73 H new ATOM 0 HD13 LEU A 73 39.682 39.704 27.970 1.00 49.73 H new ATOM 0 HD21 LEU A 73 39.435 38.095 25.354 1.00 49.73 H new ATOM 0 HD22 LEU A 73 40.491 37.644 26.714 1.00 49.73 H new ATOM 0 HD23 LEU A 73 39.291 36.483 26.096 1.00 49.73 H new ATOM 1191 N ARG A 74 39.775 34.538 29.790 1.00 49.53 N ATOM 1192 CA ARG A 74 40.283 33.789 30.952 1.00 50.07 C ATOM 1193 C ARG A 74 41.145 34.759 31.755 1.00 50.51 C ATOM 1194 O ARG A 74 42.357 34.887 31.508 1.00 49.49 O ATOM 1195 CB ARG A 74 41.040 32.529 30.559 1.00 49.82 C ATOM 1196 CG ARG A 74 41.485 31.660 31.724 1.00 49.82 C ATOM 1197 CD ARG A 74 41.900 30.287 31.341 1.00 50.20 C ATOM 1198 NE ARG A 74 42.326 29.453 32.453 1.00 49.30 N ATOM 1199 CZ ARG A 74 41.489 28.801 33.284 1.00 50.64 C ATOM 1200 NH1 ARG A 74 40.186 28.912 33.157 1.00 49.20 N ATOM 1201 NH2 ARG A 74 42.014 28.064 34.246 1.00 49.20 N ATOM 0 H ARG A 74 40.435 34.603 29.015 1.00 49.53 H new ATOM 0 HA ARG A 74 39.452 33.423 31.555 1.00 50.07 H new ATOM 0 HB2 ARG A 74 40.408 31.933 29.901 1.00 49.82 H new ATOM 0 HB3 ARG A 74 41.919 32.816 29.982 1.00 49.82 H new ATOM 0 HG2 ARG A 74 42.317 32.150 32.230 1.00 49.82 H new ATOM 0 HG3 ARG A 74 40.669 31.592 32.444 1.00 49.82 H new ATOM 0 HD2 ARG A 74 41.068 29.798 30.834 1.00 50.20 H new ATOM 0 HD3 ARG A 74 42.716 30.355 30.621 1.00 50.20 H new ATOM 0 HE ARG A 74 43.328 29.354 32.616 1.00 49.30 H new ATOM 0 HH11 ARG A 74 39.793 29.499 32.421 1.00 49.20 H new ATOM 0 HH12 ARG A 74 39.567 28.411 33.795 1.00 49.20 H new ATOM 0 HH21 ARG A 74 43.027 28.000 34.344 1.00 49.20 H new ATOM 0 HH22 ARG A 74 41.406 27.559 34.891 1.00 49.20 H new ATOM 1215 N GLY A 75 40.485 35.454 32.674 1.00 49.53 N ATOM 1216 CA GLY A 75 41.126 36.422 33.553 1.00 49.98 C ATOM 1217 C GLY A 75 40.124 37.553 33.673 1.00 50.51 C ATOM 1218 O GLY A 75 38.965 37.460 33.235 1.00 49.49 O ATOM 0 H GLY A 75 39.481 35.360 32.831 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.350 35.986 34.527 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.070 36.772 33.136 1.00 49.98 H new ATOM 1222 N GLY A 76 40.645 38.679 34.125 1.00 49.53 N ATOM 1223 CA GLY A 76 39.895 39.929 34.319 1.00 49.98 C ATOM 1224 C GLY A 76 39.560 40.056 35.813 1.00 50.51 C ATOM 1225 O GLY A 76 38.440 40.529 36.091 1.00 49.49 O ATOM 0 H GLY A 76 41.630 38.762 34.378 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.486 40.783 33.987 1.00 49.98 H new ATOM 0 HA3 GLY A 76 38.982 39.922 33.723 1.00 49.98 H new