USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 801 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 1 GLY N :NH3+ -110:sc= 0.0885 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 4 MET CE :methyl 160:sc= -0.0964 (180deg=-0.535) USER MOD Single : A 5 ASN : amide:sc= 0.99 K(o=0.99,f=-5.9!) USER MOD Single : A 9 THR OG1 : rot 69:sc= 1.27 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 80:sc= -0.0272 USER MOD Single : A 26 THR OG1 : rot 89:sc= 0.448 USER MOD Single : A 28 SER OG : rot -71:sc= -0.516 USER MOD Single : A 36 CYS SG : rot -28:sc= 0.0856 USER MOD Single : A 40 SER OG : rot 90:sc= 1.06 USER MOD Single : A 41 HIS : no HD1:sc=-0.00179 X(o=-0.0018,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 152:sc= 1.25 (180deg=1.2) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 52 MET CE :methyl 127:sc= -0.0237 (180deg=-2.79!) USER MOD Single : A 59 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.38) USER MOD Single : A 67 THR OG1 : rot -110:sc= 1.21 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.17 X(o=-1.2,f=-0.69) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.0091) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.817 4.498 -8.913 1.00 23.41 N ATOM 2 CA GLY A 1 2.974 3.488 -7.838 1.00 73.53 C ATOM 3 C GLY A 1 3.890 3.967 -6.735 1.00 72.31 C ATOM 4 O GLY A 1 4.514 5.022 -6.855 1.00 14.41 O ATOM 0 H1 GLY A 1 1.853 4.887 -8.886 1.00 23.41 H new ATOM 0 H2 GLY A 1 3.504 5.266 -8.771 1.00 23.41 H new ATOM 0 H3 GLY A 1 2.984 4.051 -9.837 1.00 23.41 H new ATOM 0 HA2 GLY A 1 1.996 3.251 -7.419 1.00 73.53 H new ATOM 0 HA3 GLY A 1 3.371 2.566 -8.263 1.00 73.53 H new ATOM 10 N SER A 2 3.969 3.195 -5.660 1.00 3.14 N ATOM 11 CA SER A 2 4.805 3.548 -4.524 1.00 5.32 C ATOM 12 C SER A 2 6.273 3.254 -4.820 1.00 72.52 C ATOM 13 O SER A 2 6.731 2.119 -4.693 1.00 22.34 O ATOM 14 CB SER A 2 4.349 2.778 -3.286 1.00 20.22 C ATOM 15 OG SER A 2 2.974 3.013 -3.027 1.00 30.24 O ATOM 0 H SER A 2 3.462 2.317 -5.552 1.00 3.14 H new ATOM 0 HA SER A 2 4.704 4.617 -4.336 1.00 5.32 H new ATOM 0 HB2 SER A 2 4.519 1.711 -3.432 1.00 20.22 H new ATOM 0 HB3 SER A 2 4.943 3.081 -2.424 1.00 20.22 H new ATOM 0 HG SER A 2 2.700 2.510 -2.232 1.00 30.24 H new ATOM 21 N HIS A 3 6.999 4.280 -5.239 1.00 74.30 N ATOM 22 CA HIS A 3 8.407 4.133 -5.562 1.00 71.34 C ATOM 23 C HIS A 3 9.192 5.291 -4.956 1.00 55.41 C ATOM 24 O HIS A 3 8.611 6.322 -4.610 1.00 61.04 O ATOM 25 CB HIS A 3 8.595 4.092 -7.081 1.00 10.31 C ATOM 26 CG HIS A 3 9.623 3.099 -7.538 1.00 15.43 C ATOM 27 ND1 HIS A 3 10.883 3.454 -7.971 1.00 31.20 N ATOM 28 CD2 HIS A 3 9.564 1.751 -7.635 1.00 75.30 C ATOM 29 CE1 HIS A 3 11.552 2.369 -8.312 1.00 4.51 C ATOM 30 NE2 HIS A 3 10.775 1.322 -8.116 1.00 64.22 N ATOM 0 H HIS A 3 6.634 5.224 -5.363 1.00 74.30 H new ATOM 0 HA HIS A 3 8.779 3.198 -5.145 1.00 71.34 H new ATOM 0 HB2 HIS A 3 7.640 3.854 -7.549 1.00 10.31 H new ATOM 0 HB3 HIS A 3 8.882 5.084 -7.429 1.00 10.31 H new ATOM 0 HD2 HIS A 3 8.719 1.128 -7.381 1.00 75.30 H new ATOM 0 HE1 HIS A 3 12.564 2.343 -8.688 1.00 4.51 H new ATOM 0 HE2 HIS A 3 11.032 0.351 -8.293 1.00 64.22 H new ATOM 39 N MET A 4 10.504 5.118 -4.829 1.00 24.22 N ATOM 40 CA MET A 4 11.366 6.123 -4.202 1.00 74.34 C ATOM 41 C MET A 4 11.248 7.488 -4.877 1.00 53.14 C ATOM 42 O MET A 4 11.353 8.516 -4.211 1.00 34.52 O ATOM 43 CB MET A 4 12.827 5.669 -4.217 1.00 33.23 C ATOM 44 CG MET A 4 13.097 4.437 -3.367 1.00 44.04 C ATOM 45 SD MET A 4 14.829 3.933 -3.400 1.00 70.34 S ATOM 46 CE MET A 4 15.616 5.351 -2.636 1.00 13.33 C ATOM 0 H MET A 4 10.999 4.287 -5.153 1.00 24.22 H new ATOM 0 HA MET A 4 11.027 6.227 -3.171 1.00 74.34 H new ATOM 0 HB2 MET A 4 13.122 5.461 -5.245 1.00 33.23 H new ATOM 0 HB3 MET A 4 13.455 6.487 -3.864 1.00 33.23 H new ATOM 0 HG2 MET A 4 12.801 4.639 -2.338 1.00 44.04 H new ATOM 0 HG3 MET A 4 12.477 3.614 -3.721 1.00 44.04 H new ATOM 0 HE1 MET A 4 16.600 5.065 -2.264 1.00 13.33 H new ATOM 0 HE2 MET A 4 15.724 6.148 -3.372 1.00 13.33 H new ATOM 0 HE3 MET A 4 15.003 5.704 -1.807 1.00 13.33 H new ATOM 56 N ASN A 5 11.025 7.494 -6.190 1.00 22.52 N ATOM 57 CA ASN A 5 10.871 8.741 -6.943 1.00 73.11 C ATOM 58 C ASN A 5 9.792 9.633 -6.333 1.00 10.31 C ATOM 59 O ASN A 5 9.978 10.844 -6.203 1.00 10.11 O ATOM 60 CB ASN A 5 10.531 8.446 -8.407 1.00 53.32 C ATOM 61 CG ASN A 5 10.155 9.698 -9.182 1.00 53.24 C ATOM 62 OD1 ASN A 5 8.982 10.071 -9.254 1.00 40.34 O ATOM 63 ND2 ASN A 5 11.144 10.362 -9.757 1.00 4.12 N ATOM 0 H ASN A 5 10.947 6.649 -6.756 1.00 22.52 H new ATOM 0 HA ASN A 5 11.822 9.272 -6.894 1.00 73.11 H new ATOM 0 HB2 ASN A 5 11.386 7.969 -8.886 1.00 53.32 H new ATOM 0 HB3 ASN A 5 9.705 7.735 -8.449 1.00 53.32 H new ATOM 0 HD21 ASN A 5 10.949 11.214 -10.282 1.00 4.12 H new ATOM 0 HD22 ASN A 5 12.102 10.022 -9.675 1.00 4.12 H new ATOM 70 N ARG A 6 8.674 9.027 -5.943 1.00 70.34 N ATOM 71 CA ARG A 6 7.568 9.769 -5.342 1.00 45.50 C ATOM 72 C ARG A 6 8.023 10.439 -4.050 1.00 22.34 C ATOM 73 O ARG A 6 7.723 11.606 -3.798 1.00 1.32 O ATOM 74 CB ARG A 6 6.391 8.834 -5.047 1.00 34.52 C ATOM 75 CG ARG A 6 5.813 8.135 -6.273 1.00 35.22 C ATOM 76 CD ARG A 6 5.111 9.104 -7.214 1.00 55.24 C ATOM 77 NE ARG A 6 6.046 9.854 -8.052 1.00 65.22 N ATOM 78 CZ ARG A 6 5.671 10.735 -8.980 1.00 12.53 C ATOM 79 NH1 ARG A 6 4.383 10.985 -9.181 1.00 43.31 N ATOM 80 NH2 ARG A 6 6.588 11.356 -9.711 1.00 11.12 N ATOM 0 H ARG A 6 8.509 8.024 -6.032 1.00 70.34 H new ATOM 0 HA ARG A 6 7.245 10.533 -6.049 1.00 45.50 H new ATOM 0 HB2 ARG A 6 6.715 8.077 -4.333 1.00 34.52 H new ATOM 0 HB3 ARG A 6 5.600 9.408 -4.566 1.00 34.52 H new ATOM 0 HG2 ARG A 6 6.614 7.627 -6.810 1.00 35.22 H new ATOM 0 HG3 ARG A 6 5.108 7.368 -5.952 1.00 35.22 H new ATOM 0 HD2 ARG A 6 4.422 8.550 -7.852 1.00 55.24 H new ATOM 0 HD3 ARG A 6 4.513 9.803 -6.629 1.00 55.24 H new ATOM 0 HE ARG A 6 7.044 9.694 -7.919 1.00 65.22 H new ATOM 0 HH11 ARG A 6 3.677 10.503 -8.625 1.00 43.31 H new ATOM 0 HH12 ARG A 6 4.099 11.659 -9.892 1.00 43.31 H new ATOM 0 HH21 ARG A 6 7.578 11.159 -9.563 1.00 11.12 H new ATOM 0 HH22 ARG A 6 6.303 12.030 -10.421 1.00 11.12 H new ATOM 94 N PHE A 7 8.779 9.694 -3.252 1.00 61.03 N ATOM 95 CA PHE A 7 9.276 10.189 -1.977 1.00 54.10 C ATOM 96 C PHE A 7 10.307 11.293 -2.199 1.00 14.21 C ATOM 97 O PHE A 7 10.247 12.343 -1.563 1.00 1.24 O ATOM 98 CB PHE A 7 9.889 9.040 -1.168 1.00 72.25 C ATOM 99 CG PHE A 7 10.293 9.425 0.231 1.00 31.43 C ATOM 100 CD1 PHE A 7 9.337 9.585 1.223 1.00 52.24 C ATOM 101 CD2 PHE A 7 11.626 9.626 0.553 1.00 4.00 C ATOM 102 CE1 PHE A 7 9.704 9.938 2.508 1.00 13.43 C ATOM 103 CE2 PHE A 7 11.998 9.980 1.836 1.00 61.21 C ATOM 104 CZ PHE A 7 11.036 10.136 2.815 1.00 73.30 C ATOM 0 H PHE A 7 9.062 8.738 -3.469 1.00 61.03 H new ATOM 0 HA PHE A 7 8.441 10.606 -1.415 1.00 54.10 H new ATOM 0 HB2 PHE A 7 9.171 8.222 -1.116 1.00 72.25 H new ATOM 0 HB3 PHE A 7 10.764 8.663 -1.697 1.00 72.25 H new ATOM 0 HD1 PHE A 7 8.294 9.432 0.989 1.00 52.24 H new ATOM 0 HD2 PHE A 7 12.383 9.505 -0.208 1.00 4.00 H new ATOM 0 HE1 PHE A 7 8.950 10.059 3.271 1.00 13.43 H new ATOM 0 HE2 PHE A 7 13.040 10.135 2.073 1.00 61.21 H new ATOM 0 HZ PHE A 7 11.325 10.412 3.818 1.00 73.30 H new ATOM 114 N LEU A 8 11.238 11.052 -3.118 1.00 52.30 N ATOM 115 CA LEU A 8 12.275 12.031 -3.435 1.00 12.42 C ATOM 116 C LEU A 8 11.654 13.341 -3.904 1.00 4.34 C ATOM 117 O LEU A 8 12.032 14.418 -3.441 1.00 54.30 O ATOM 118 CB LEU A 8 13.218 11.487 -4.512 1.00 73.45 C ATOM 119 CG LEU A 8 13.996 10.227 -4.124 1.00 4.01 C ATOM 120 CD1 LEU A 8 14.863 9.761 -5.282 1.00 63.33 C ATOM 121 CD2 LEU A 8 14.846 10.481 -2.887 1.00 0.01 C ATOM 0 H LEU A 8 11.296 10.188 -3.656 1.00 52.30 H new ATOM 0 HA LEU A 8 12.848 12.220 -2.527 1.00 12.42 H new ATOM 0 HB2 LEU A 8 12.635 11.273 -5.408 1.00 73.45 H new ATOM 0 HB3 LEU A 8 13.931 12.268 -4.775 1.00 73.45 H new ATOM 0 HG LEU A 8 13.280 9.439 -3.890 1.00 4.01 H new ATOM 0 HD11 LEU A 8 15.409 8.864 -4.990 1.00 63.33 H new ATOM 0 HD12 LEU A 8 14.232 9.537 -6.142 1.00 63.33 H new ATOM 0 HD13 LEU A 8 15.570 10.547 -5.546 1.00 63.33 H new ATOM 0 HD21 LEU A 8 15.391 9.573 -2.627 1.00 0.01 H new ATOM 0 HD22 LEU A 8 15.554 11.284 -3.091 1.00 0.01 H new ATOM 0 HD23 LEU A 8 14.202 10.768 -2.056 1.00 0.01 H new ATOM 133 N THR A 9 10.684 13.239 -4.803 1.00 50.43 N ATOM 134 CA THR A 9 9.993 14.411 -5.320 1.00 11.00 C ATOM 135 C THR A 9 9.257 15.143 -4.197 1.00 63.12 C ATOM 136 O THR A 9 9.277 16.374 -4.127 1.00 22.31 O ATOM 137 CB THR A 9 8.993 14.020 -6.430 1.00 3.51 C ATOM 138 OG1 THR A 9 9.656 13.232 -7.428 1.00 24.21 O ATOM 139 CG2 THR A 9 8.389 15.256 -7.083 1.00 32.31 C ATOM 0 H THR A 9 10.358 12.353 -5.190 1.00 50.43 H new ATOM 0 HA THR A 9 10.744 15.077 -5.746 1.00 11.00 H new ATOM 0 HB THR A 9 8.191 13.440 -5.973 1.00 3.51 H new ATOM 0 HG1 THR A 9 9.894 12.359 -7.051 1.00 24.21 H new ATOM 0 HG21 THR A 9 7.689 14.951 -7.861 1.00 32.31 H new ATOM 0 HG22 THR A 9 7.863 15.844 -6.331 1.00 32.31 H new ATOM 0 HG23 THR A 9 9.183 15.858 -7.525 1.00 32.31 H new ATOM 147 N SER A 10 8.633 14.378 -3.304 1.00 65.42 N ATOM 148 CA SER A 10 7.908 14.950 -2.180 1.00 14.20 C ATOM 149 C SER A 10 8.859 15.712 -1.258 1.00 60.34 C ATOM 150 O SER A 10 8.529 16.796 -0.778 1.00 33.45 O ATOM 151 CB SER A 10 7.175 13.851 -1.402 1.00 14.00 C ATOM 152 OG SER A 10 6.314 14.399 -0.414 1.00 11.13 O ATOM 0 H SER A 10 8.617 13.359 -3.340 1.00 65.42 H new ATOM 0 HA SER A 10 7.170 15.652 -2.568 1.00 14.20 H new ATOM 0 HB2 SER A 10 6.595 13.240 -2.093 1.00 14.00 H new ATOM 0 HB3 SER A 10 7.903 13.193 -0.927 1.00 14.00 H new ATOM 0 HG SER A 10 5.860 13.673 0.063 1.00 11.13 H new ATOM 158 N ILE A 11 10.037 15.146 -1.021 1.00 41.21 N ATOM 159 CA ILE A 11 11.039 15.786 -0.173 1.00 43.24 C ATOM 160 C ILE A 11 11.529 17.088 -0.801 1.00 34.21 C ATOM 161 O ILE A 11 11.549 18.128 -0.146 1.00 51.11 O ATOM 162 CB ILE A 11 12.242 14.849 0.090 1.00 63.44 C ATOM 163 CG1 ILE A 11 11.792 13.612 0.876 1.00 0.25 C ATOM 164 CG2 ILE A 11 13.349 15.583 0.838 1.00 53.04 C ATOM 165 CD1 ILE A 11 11.178 13.933 2.223 1.00 53.14 C ATOM 0 H ILE A 11 10.323 14.245 -1.404 1.00 41.21 H new ATOM 0 HA ILE A 11 10.561 16.007 0.781 1.00 43.24 H new ATOM 0 HB ILE A 11 12.640 14.526 -0.872 1.00 63.44 H new ATOM 0 HG12 ILE A 11 11.067 13.058 0.280 1.00 0.25 H new ATOM 0 HG13 ILE A 11 12.650 12.956 1.025 1.00 0.25 H new ATOM 0 HG21 ILE A 11 14.184 14.904 1.011 1.00 53.04 H new ATOM 0 HG22 ILE A 11 13.689 16.431 0.244 1.00 53.04 H new ATOM 0 HG23 ILE A 11 12.967 15.940 1.795 1.00 53.04 H new ATOM 0 HD11 ILE A 11 10.885 13.008 2.719 1.00 53.14 H new ATOM 0 HD12 ILE A 11 11.907 14.460 2.839 1.00 53.14 H new ATOM 0 HD13 ILE A 11 10.300 14.563 2.082 1.00 53.14 H new ATOM 177 N VAL A 12 11.904 17.025 -2.073 1.00 21.55 N ATOM 178 CA VAL A 12 12.353 18.206 -2.807 1.00 14.34 C ATOM 179 C VAL A 12 11.286 19.306 -2.769 1.00 13.44 C ATOM 180 O VAL A 12 11.593 20.475 -2.506 1.00 43.23 O ATOM 181 CB VAL A 12 12.701 17.857 -4.275 1.00 35.21 C ATOM 182 CG1 VAL A 12 13.010 19.109 -5.080 1.00 52.52 C ATOM 183 CG2 VAL A 12 13.878 16.893 -4.334 1.00 24.24 C ATOM 0 H VAL A 12 11.907 16.165 -2.621 1.00 21.55 H new ATOM 0 HA VAL A 12 13.256 18.573 -2.319 1.00 14.34 H new ATOM 0 HB VAL A 12 11.829 17.374 -4.716 1.00 35.21 H new ATOM 0 HG11 VAL A 12 13.251 18.832 -6.106 1.00 52.52 H new ATOM 0 HG12 VAL A 12 12.141 19.768 -5.076 1.00 52.52 H new ATOM 0 HG13 VAL A 12 13.860 19.627 -4.635 1.00 52.52 H new ATOM 0 HG21 VAL A 12 14.106 16.661 -5.374 1.00 24.24 H new ATOM 0 HG22 VAL A 12 14.748 17.352 -3.865 1.00 24.24 H new ATOM 0 HG23 VAL A 12 13.623 15.975 -3.805 1.00 24.24 H new ATOM 193 N ALA A 13 10.035 18.921 -3.005 1.00 44.22 N ATOM 194 CA ALA A 13 8.917 19.860 -2.959 1.00 63.42 C ATOM 195 C ALA A 13 8.754 20.445 -1.558 1.00 5.15 C ATOM 196 O ALA A 13 8.518 21.639 -1.399 1.00 60.31 O ATOM 197 CB ALA A 13 7.632 19.178 -3.404 1.00 50.45 C ATOM 0 H ALA A 13 9.769 17.963 -3.231 1.00 44.22 H new ATOM 0 HA ALA A 13 9.132 20.679 -3.645 1.00 63.42 H new ATOM 0 HB1 ALA A 13 6.809 19.891 -3.364 1.00 50.45 H new ATOM 0 HB2 ALA A 13 7.748 18.814 -4.425 1.00 50.45 H new ATOM 0 HB3 ALA A 13 7.417 18.339 -2.742 1.00 50.45 H new ATOM 203 N TRP A 14 8.886 19.590 -0.551 1.00 34.42 N ATOM 204 CA TRP A 14 8.808 20.012 0.842 1.00 42.25 C ATOM 205 C TRP A 14 9.903 21.027 1.164 1.00 70.10 C ATOM 206 O TRP A 14 9.633 22.089 1.733 1.00 3.04 O ATOM 207 CB TRP A 14 8.918 18.781 1.756 1.00 32.24 C ATOM 208 CG TRP A 14 9.048 19.093 3.219 1.00 61.43 C ATOM 209 CD1 TRP A 14 8.267 19.933 3.958 1.00 2.33 C ATOM 210 CD2 TRP A 14 10.013 18.545 4.124 1.00 1.21 C ATOM 211 NE1 TRP A 14 8.693 19.948 5.265 1.00 52.34 N ATOM 212 CE2 TRP A 14 9.763 19.103 5.392 1.00 5.51 C ATOM 213 CE3 TRP A 14 11.067 17.639 3.985 1.00 11.11 C ATOM 214 CZ2 TRP A 14 10.528 18.783 6.511 1.00 42.32 C ATOM 215 CZ3 TRP A 14 11.824 17.322 5.095 1.00 1.43 C ATOM 216 CH2 TRP A 14 11.551 17.892 6.343 1.00 73.14 C ATOM 0 H TRP A 14 9.049 18.591 -0.676 1.00 34.42 H new ATOM 0 HA TRP A 14 7.847 20.498 1.013 1.00 42.25 H new ATOM 0 HB2 TRP A 14 8.037 18.157 1.609 1.00 32.24 H new ATOM 0 HB3 TRP A 14 9.781 18.192 1.446 1.00 32.24 H new ATOM 0 HD1 TRP A 14 7.435 20.503 3.572 1.00 2.33 H new ATOM 0 HE1 TRP A 14 8.279 20.499 6.017 1.00 52.34 H new ATOM 0 HE3 TRP A 14 11.286 17.194 3.026 1.00 11.11 H new ATOM 0 HZ2 TRP A 14 10.321 19.222 7.476 1.00 42.32 H new ATOM 0 HZ3 TRP A 14 12.641 16.622 4.998 1.00 1.43 H new ATOM 0 HH2 TRP A 14 12.162 17.622 7.192 1.00 73.14 H new ATOM 227 N LEU A 15 11.130 20.705 0.772 1.00 2.10 N ATOM 228 CA LEU A 15 12.279 21.549 1.070 1.00 34.45 C ATOM 229 C LEU A 15 12.142 22.923 0.426 1.00 0.13 C ATOM 230 O LEU A 15 12.341 23.944 1.085 1.00 34.54 O ATOM 231 CB LEU A 15 13.575 20.883 0.601 1.00 11.03 C ATOM 232 CG LEU A 15 13.862 19.515 1.218 1.00 31.04 C ATOM 233 CD1 LEU A 15 15.237 19.021 0.803 1.00 61.44 C ATOM 234 CD2 LEU A 15 13.748 19.573 2.735 1.00 64.45 C ATOM 0 H LEU A 15 11.355 19.861 0.245 1.00 2.10 H new ATOM 0 HA LEU A 15 12.316 21.680 2.152 1.00 34.45 H new ATOM 0 HB2 LEU A 15 13.538 20.775 -0.483 1.00 11.03 H new ATOM 0 HB3 LEU A 15 14.409 21.548 0.826 1.00 11.03 H new ATOM 0 HG LEU A 15 13.117 18.810 0.848 1.00 31.04 H new ATOM 0 HD11 LEU A 15 15.424 18.045 1.252 1.00 61.44 H new ATOM 0 HD12 LEU A 15 15.280 18.935 -0.283 1.00 61.44 H new ATOM 0 HD13 LEU A 15 15.995 19.727 1.142 1.00 61.44 H new ATOM 0 HD21 LEU A 15 13.956 18.588 3.153 1.00 64.45 H new ATOM 0 HD22 LEU A 15 14.467 20.293 3.127 1.00 64.45 H new ATOM 0 HD23 LEU A 15 12.739 19.879 3.013 1.00 64.45 H new ATOM 246 N ARG A 16 11.795 22.952 -0.858 1.00 2.41 N ATOM 247 CA ARG A 16 11.653 24.221 -1.562 1.00 31.15 C ATOM 248 C ARG A 16 10.472 25.013 -1.004 1.00 5.31 C ATOM 249 O ARG A 16 10.551 26.229 -0.855 1.00 11.03 O ATOM 250 CB ARG A 16 11.506 24.011 -3.077 1.00 12.41 C ATOM 251 CG ARG A 16 10.231 23.295 -3.492 1.00 75.42 C ATOM 252 CD ARG A 16 10.180 23.061 -4.993 1.00 13.34 C ATOM 253 NE ARG A 16 10.258 24.307 -5.756 1.00 41.44 N ATOM 254 CZ ARG A 16 9.693 24.485 -6.951 1.00 71.15 C ATOM 255 NH1 ARG A 16 8.957 23.522 -7.493 1.00 44.40 N ATOM 256 NH2 ARG A 16 9.860 25.634 -7.594 1.00 61.31 N ATOM 0 H ARG A 16 11.610 22.124 -1.424 1.00 2.41 H new ATOM 0 HA ARG A 16 12.564 24.798 -1.399 1.00 31.15 H new ATOM 0 HB2 ARG A 16 11.540 24.982 -3.571 1.00 12.41 H new ATOM 0 HB3 ARG A 16 12.362 23.440 -3.437 1.00 12.41 H new ATOM 0 HG2 ARG A 16 10.165 22.339 -2.972 1.00 75.42 H new ATOM 0 HG3 ARG A 16 9.367 23.884 -3.186 1.00 75.42 H new ATOM 0 HD2 ARG A 16 11.003 22.408 -5.284 1.00 13.34 H new ATOM 0 HD3 ARG A 16 9.256 22.541 -5.245 1.00 13.34 H new ATOM 0 HE ARG A 16 10.776 25.086 -5.350 1.00 41.44 H new ATOM 0 HH11 ARG A 16 8.822 22.642 -6.995 1.00 44.40 H new ATOM 0 HH12 ARG A 16 8.527 23.662 -8.407 1.00 44.40 H new ATOM 0 HH21 ARG A 16 10.419 26.377 -7.174 1.00 61.31 H new ATOM 0 HH22 ARG A 16 9.430 25.774 -8.508 1.00 61.31 H new ATOM 270 N ALA A 17 9.394 24.311 -0.658 1.00 2.12 N ATOM 271 CA ALA A 17 8.218 24.955 -0.080 1.00 33.54 C ATOM 272 C ALA A 17 8.551 25.559 1.277 1.00 24.54 C ATOM 273 O ALA A 17 7.964 26.563 1.683 1.00 1.33 O ATOM 274 CB ALA A 17 7.074 23.961 0.051 1.00 34.13 C ATOM 0 H ALA A 17 9.312 23.300 -0.768 1.00 2.12 H new ATOM 0 HA ALA A 17 7.905 25.757 -0.749 1.00 33.54 H new ATOM 0 HB1 ALA A 17 6.207 24.460 0.484 1.00 34.13 H new ATOM 0 HB2 ALA A 17 6.815 23.572 -0.934 1.00 34.13 H new ATOM 0 HB3 ALA A 17 7.379 23.138 0.697 1.00 34.13 H new ATOM 280 N GLY A 18 9.491 24.929 1.977 1.00 51.14 N ATOM 281 CA GLY A 18 9.954 25.453 3.245 1.00 30.22 C ATOM 282 C GLY A 18 10.698 26.770 3.099 1.00 44.24 C ATOM 283 O GLY A 18 10.687 27.597 4.014 1.00 11.14 O ATOM 0 H GLY A 18 9.940 24.061 1.685 1.00 51.14 H new ATOM 0 HA2 GLY A 18 9.101 25.594 3.908 1.00 30.22 H new ATOM 0 HA3 GLY A 18 10.608 24.721 3.719 1.00 30.22 H new ATOM 287 N TYR A 19 11.334 26.976 1.950 1.00 34.05 N ATOM 288 CA TYR A 19 12.098 28.197 1.706 1.00 45.12 C ATOM 289 C TYR A 19 11.852 28.721 0.295 1.00 10.22 C ATOM 290 O TYR A 19 12.655 28.495 -0.611 1.00 41.13 O ATOM 291 CB TYR A 19 13.599 27.963 1.921 1.00 74.13 C ATOM 292 CG TYR A 19 13.999 27.808 3.371 1.00 10.41 C ATOM 293 CD1 TYR A 19 14.197 28.922 4.177 1.00 25.43 C ATOM 294 CD2 TYR A 19 14.175 26.551 3.935 1.00 61.34 C ATOM 295 CE1 TYR A 19 14.562 28.790 5.502 1.00 22.44 C ATOM 296 CE2 TYR A 19 14.538 26.409 5.261 1.00 73.24 C ATOM 297 CZ TYR A 19 14.730 27.530 6.040 1.00 34.14 C ATOM 298 OH TYR A 19 15.080 27.392 7.362 1.00 52.11 O ATOM 0 H TYR A 19 11.336 26.315 1.173 1.00 34.05 H new ATOM 0 HA TYR A 19 11.757 28.944 2.422 1.00 45.12 H new ATOM 0 HB2 TYR A 19 13.898 27.068 1.375 1.00 74.13 H new ATOM 0 HB3 TYR A 19 14.151 28.798 1.490 1.00 74.13 H new ATOM 0 HD1 TYR A 19 14.063 29.909 3.760 1.00 25.43 H new ATOM 0 HD2 TYR A 19 14.026 25.670 3.328 1.00 61.34 H new ATOM 0 HE1 TYR A 19 14.715 29.667 6.114 1.00 22.44 H new ATOM 0 HE2 TYR A 19 14.671 25.425 5.685 1.00 73.24 H new ATOM 0 HH TYR A 19 14.285 27.501 7.924 1.00 52.11 H new ATOM 308 N PRO A 20 10.731 29.429 0.089 1.00 2.25 N ATOM 309 CA PRO A 20 10.359 29.955 -1.228 1.00 33.00 C ATOM 310 C PRO A 20 11.319 31.040 -1.709 1.00 63.40 C ATOM 311 O PRO A 20 11.492 31.244 -2.911 1.00 22.41 O ATOM 312 CB PRO A 20 8.958 30.532 -1.004 1.00 62.04 C ATOM 313 CG PRO A 20 8.883 30.810 0.458 1.00 43.04 C ATOM 314 CD PRO A 20 9.733 29.765 1.122 1.00 11.52 C ATOM 0 HA PRO A 20 10.393 29.185 -1.999 1.00 33.00 H new ATOM 0 HB2 PRO A 20 8.808 31.441 -1.587 1.00 62.04 H new ATOM 0 HB3 PRO A 20 8.187 29.826 -1.311 1.00 62.04 H new ATOM 0 HG2 PRO A 20 9.249 31.812 0.684 1.00 43.04 H new ATOM 0 HG3 PRO A 20 7.854 30.759 0.813 1.00 43.04 H new ATOM 0 HD2 PRO A 20 10.205 30.147 2.027 1.00 11.52 H new ATOM 0 HD3 PRO A 20 9.146 28.894 1.412 1.00 11.52 H new ATOM 322 N GLU A 21 11.959 31.715 -0.758 1.00 2.11 N ATOM 323 CA GLU A 21 12.904 32.782 -1.072 1.00 73.24 C ATOM 324 C GLU A 21 14.251 32.192 -1.461 1.00 20.44 C ATOM 325 O GLU A 21 15.132 32.889 -1.960 1.00 40.30 O ATOM 326 CB GLU A 21 13.109 33.691 0.145 1.00 43.24 C ATOM 327 CG GLU A 21 11.833 34.047 0.886 1.00 22.23 C ATOM 328 CD GLU A 21 10.830 34.777 0.023 1.00 20.12 C ATOM 329 OE1 GLU A 21 11.131 35.905 -0.423 1.00 52.40 O ATOM 330 OE2 GLU A 21 9.729 34.239 -0.187 1.00 51.00 O ATOM 0 H GLU A 21 11.839 31.541 0.240 1.00 2.11 H new ATOM 0 HA GLU A 21 12.495 33.360 -1.901 1.00 73.24 H new ATOM 0 HB2 GLU A 21 13.792 33.200 0.838 1.00 43.24 H new ATOM 0 HB3 GLU A 21 13.593 34.611 -0.182 1.00 43.24 H new ATOM 0 HG2 GLU A 21 11.377 33.135 1.270 1.00 22.23 H new ATOM 0 HG3 GLU A 21 12.081 34.667 1.748 1.00 22.23 H new ATOM 337 N GLY A 22 14.396 30.901 -1.232 1.00 34.52 N ATOM 338 CA GLY A 22 15.684 30.267 -1.353 1.00 33.44 C ATOM 339 C GLY A 22 16.201 29.871 0.008 1.00 53.53 C ATOM 340 O GLY A 22 15.706 30.358 1.026 1.00 11.30 O ATOM 0 H GLY A 22 13.636 30.276 -0.962 1.00 34.52 H new ATOM 0 HA2 GLY A 22 15.605 29.386 -1.990 1.00 33.44 H new ATOM 0 HA3 GLY A 22 16.388 30.946 -1.834 1.00 33.44 H new ATOM 344 N ILE A 23 17.181 28.991 0.044 1.00 21.02 N ATOM 345 CA ILE A 23 17.687 28.493 1.309 1.00 2.44 C ATOM 346 C ILE A 23 18.972 29.223 1.694 1.00 35.10 C ATOM 347 O ILE A 23 19.953 29.209 0.946 1.00 4.14 O ATOM 348 CB ILE A 23 17.944 26.964 1.276 1.00 73.03 C ATOM 349 CG1 ILE A 23 16.668 26.184 0.927 1.00 44.05 C ATOM 350 CG2 ILE A 23 18.487 26.487 2.614 1.00 11.14 C ATOM 351 CD1 ILE A 23 16.317 26.185 -0.548 1.00 33.31 C ATOM 0 H ILE A 23 17.641 28.607 -0.782 1.00 21.02 H new ATOM 0 HA ILE A 23 16.918 28.685 2.058 1.00 2.44 H new ATOM 0 HB ILE A 23 18.683 26.774 0.497 1.00 73.03 H new ATOM 0 HG12 ILE A 23 16.785 25.153 1.259 1.00 44.05 H new ATOM 0 HG13 ILE A 23 15.834 26.607 1.487 1.00 44.05 H new ATOM 0 HG21 ILE A 23 18.662 25.412 2.573 1.00 11.14 H new ATOM 0 HG22 ILE A 23 19.425 26.999 2.830 1.00 11.14 H new ATOM 0 HG23 ILE A 23 17.764 26.708 3.400 1.00 11.14 H new ATOM 0 HD11 ILE A 23 15.403 25.612 -0.705 1.00 33.31 H new ATOM 0 HD12 ILE A 23 16.165 27.210 -0.885 1.00 33.31 H new ATOM 0 HD13 ILE A 23 17.130 25.734 -1.116 1.00 33.31 H new ATOM 363 N PRO A 24 18.965 29.898 2.855 1.00 3.32 N ATOM 364 CA PRO A 24 20.140 30.596 3.380 1.00 71.45 C ATOM 365 C PRO A 24 21.193 29.612 3.886 1.00 31.25 C ATOM 366 O PRO A 24 20.848 28.584 4.461 1.00 10.15 O ATOM 367 CB PRO A 24 19.587 31.435 4.546 1.00 34.22 C ATOM 368 CG PRO A 24 18.096 31.312 4.475 1.00 32.44 C ATOM 369 CD PRO A 24 17.810 30.033 3.749 1.00 74.45 C ATOM 0 HA PRO A 24 20.634 31.198 2.617 1.00 71.45 H new ATOM 0 HB2 PRO A 24 19.963 31.070 5.502 1.00 34.22 H new ATOM 0 HB3 PRO A 24 19.897 32.476 4.458 1.00 34.22 H new ATOM 0 HG2 PRO A 24 17.660 31.297 5.474 1.00 32.44 H new ATOM 0 HG3 PRO A 24 17.661 32.162 3.950 1.00 32.44 H new ATOM 0 HD2 PRO A 24 17.729 29.189 4.434 1.00 74.45 H new ATOM 0 HD3 PRO A 24 16.873 30.084 3.194 1.00 74.45 H new ATOM 377 N PRO A 25 22.488 29.920 3.686 1.00 35.02 N ATOM 378 CA PRO A 25 23.598 29.026 4.063 1.00 12.04 C ATOM 379 C PRO A 25 23.521 28.561 5.513 1.00 11.40 C ATOM 380 O PRO A 25 23.783 27.395 5.817 1.00 22.20 O ATOM 381 CB PRO A 25 24.841 29.890 3.853 1.00 2.20 C ATOM 382 CG PRO A 25 24.434 30.897 2.838 1.00 24.32 C ATOM 383 CD PRO A 25 22.974 31.167 3.071 1.00 72.20 C ATOM 0 HA PRO A 25 23.588 28.109 3.473 1.00 12.04 H new ATOM 0 HB2 PRO A 25 25.153 30.368 4.782 1.00 2.20 H new ATOM 0 HB3 PRO A 25 25.683 29.293 3.503 1.00 2.20 H new ATOM 0 HG2 PRO A 25 25.019 31.811 2.941 1.00 24.32 H new ATOM 0 HG3 PRO A 25 24.603 30.522 1.829 1.00 24.32 H new ATOM 0 HD2 PRO A 25 22.824 32.024 3.728 1.00 72.20 H new ATOM 0 HD3 PRO A 25 22.452 31.385 2.139 1.00 72.20 H new ATOM 391 N THR A 26 23.152 29.477 6.395 1.00 51.12 N ATOM 392 CA THR A 26 23.020 29.184 7.812 1.00 71.04 C ATOM 393 C THR A 26 22.015 28.061 8.049 1.00 51.20 C ATOM 394 O THR A 26 22.342 27.020 8.624 1.00 74.44 O ATOM 395 CB THR A 26 22.571 30.447 8.567 1.00 21.22 C ATOM 396 OG1 THR A 26 21.520 31.098 7.831 1.00 52.23 O ATOM 397 CG2 THR A 26 23.735 31.409 8.753 1.00 51.12 C ATOM 0 H THR A 26 22.936 30.443 6.148 1.00 51.12 H new ATOM 0 HA THR A 26 23.992 28.860 8.184 1.00 71.04 H new ATOM 0 HB THR A 26 22.206 30.152 9.551 1.00 21.22 H new ATOM 0 HG1 THR A 26 20.653 30.739 8.113 1.00 52.23 H new ATOM 0 HG21 THR A 26 23.393 32.294 9.289 1.00 51.12 H new ATOM 0 HG22 THR A 26 24.523 30.920 9.325 1.00 51.12 H new ATOM 0 HG23 THR A 26 24.124 31.703 7.778 1.00 51.12 H new ATOM 405 N ASP A 27 20.805 28.266 7.555 1.00 40.23 N ATOM 406 CA ASP A 27 19.724 27.316 7.753 1.00 64.21 C ATOM 407 C ASP A 27 19.895 26.113 6.837 1.00 23.45 C ATOM 408 O ASP A 27 19.323 25.057 7.079 1.00 13.20 O ATOM 409 CB ASP A 27 18.374 27.988 7.491 1.00 62.14 C ATOM 410 CG ASP A 27 18.167 29.226 8.343 1.00 1.21 C ATOM 411 OD1 ASP A 27 18.667 30.306 7.956 1.00 12.42 O ATOM 412 OD2 ASP A 27 17.511 29.130 9.400 1.00 22.33 O ATOM 0 H ASP A 27 20.546 29.088 7.010 1.00 40.23 H new ATOM 0 HA ASP A 27 19.753 26.972 8.787 1.00 64.21 H new ATOM 0 HB2 ASP A 27 18.305 28.260 6.438 1.00 62.14 H new ATOM 0 HB3 ASP A 27 17.573 27.276 7.689 1.00 62.14 H new ATOM 417 N SER A 28 20.690 26.277 5.789 1.00 54.23 N ATOM 418 CA SER A 28 20.939 25.205 4.834 1.00 53.34 C ATOM 419 C SER A 28 21.703 24.064 5.491 1.00 42.43 C ATOM 420 O SER A 28 21.427 22.890 5.234 1.00 42.13 O ATOM 421 CB SER A 28 21.720 25.737 3.633 1.00 4.45 C ATOM 422 OG SER A 28 21.802 24.770 2.603 1.00 12.42 O ATOM 0 H SER A 28 21.177 27.148 5.577 1.00 54.23 H new ATOM 0 HA SER A 28 19.978 24.823 4.490 1.00 53.34 H new ATOM 0 HB2 SER A 28 21.237 26.637 3.252 1.00 4.45 H new ATOM 0 HB3 SER A 28 22.724 26.023 3.947 1.00 4.45 H new ATOM 0 HG SER A 28 22.405 24.049 2.879 1.00 12.42 H new ATOM 428 N PHE A 29 22.659 24.409 6.344 1.00 42.55 N ATOM 429 CA PHE A 29 23.410 23.405 7.083 1.00 4.12 C ATOM 430 C PHE A 29 22.486 22.722 8.083 1.00 35.43 C ATOM 431 O PHE A 29 22.616 21.532 8.374 1.00 12.15 O ATOM 432 CB PHE A 29 24.614 24.034 7.793 1.00 33.34 C ATOM 433 CG PHE A 29 25.731 24.454 6.868 1.00 34.33 C ATOM 434 CD1 PHE A 29 25.519 24.601 5.504 1.00 24.54 C ATOM 435 CD2 PHE A 29 26.998 24.698 7.370 1.00 60.53 C ATOM 436 CE1 PHE A 29 26.546 24.985 4.664 1.00 25.20 C ATOM 437 CE2 PHE A 29 28.030 25.082 6.534 1.00 42.44 C ATOM 438 CZ PHE A 29 27.803 25.226 5.179 1.00 14.20 C ATOM 0 H PHE A 29 22.931 25.372 6.540 1.00 42.55 H new ATOM 0 HA PHE A 29 23.795 22.661 6.385 1.00 4.12 H new ATOM 0 HB2 PHE A 29 24.276 24.905 8.354 1.00 33.34 H new ATOM 0 HB3 PHE A 29 25.007 23.321 8.518 1.00 33.34 H new ATOM 0 HD1 PHE A 29 24.538 24.413 5.094 1.00 24.54 H new ATOM 0 HD2 PHE A 29 27.183 24.587 8.428 1.00 60.53 H new ATOM 0 HE1 PHE A 29 26.365 25.096 3.605 1.00 25.20 H new ATOM 0 HE2 PHE A 29 29.013 25.269 6.940 1.00 42.44 H new ATOM 0 HZ PHE A 29 28.608 25.527 4.524 1.00 14.20 H new ATOM 448 N ALA A 30 21.533 23.489 8.585 1.00 14.21 N ATOM 449 CA ALA A 30 20.507 22.956 9.461 1.00 35.22 C ATOM 450 C ALA A 30 19.589 22.012 8.686 1.00 13.34 C ATOM 451 O ALA A 30 19.177 20.973 9.199 1.00 31.42 O ATOM 452 CB ALA A 30 19.718 24.093 10.081 1.00 43.15 C ATOM 0 H ALA A 30 21.450 24.488 8.399 1.00 14.21 H new ATOM 0 HA ALA A 30 20.979 22.387 10.262 1.00 35.22 H new ATOM 0 HB1 ALA A 30 18.949 23.686 10.738 1.00 43.15 H new ATOM 0 HB2 ALA A 30 20.389 24.729 10.658 1.00 43.15 H new ATOM 0 HB3 ALA A 30 19.248 24.682 9.293 1.00 43.15 H new ATOM 458 N VAL A 31 19.281 22.380 7.441 1.00 22.11 N ATOM 459 CA VAL A 31 18.493 21.528 6.553 1.00 35.35 C ATOM 460 C VAL A 31 19.175 20.181 6.368 1.00 24.34 C ATOM 461 O VAL A 31 18.554 19.137 6.548 1.00 23.22 O ATOM 462 CB VAL A 31 18.276 22.171 5.160 1.00 1.31 C ATOM 463 CG1 VAL A 31 17.551 21.211 4.225 1.00 65.31 C ATOM 464 CG2 VAL A 31 17.500 23.472 5.273 1.00 4.31 C ATOM 0 H VAL A 31 19.567 23.266 7.025 1.00 22.11 H new ATOM 0 HA VAL A 31 17.520 21.399 7.027 1.00 35.35 H new ATOM 0 HB VAL A 31 19.259 22.390 4.742 1.00 1.31 H new ATOM 0 HG11 VAL A 31 17.411 21.685 3.254 1.00 65.31 H new ATOM 0 HG12 VAL A 31 18.144 20.304 4.104 1.00 65.31 H new ATOM 0 HG13 VAL A 31 16.579 20.956 4.648 1.00 65.31 H new ATOM 0 HG21 VAL A 31 17.362 23.901 4.280 1.00 4.31 H new ATOM 0 HG22 VAL A 31 16.526 23.277 5.722 1.00 4.31 H new ATOM 0 HG23 VAL A 31 18.054 24.173 5.898 1.00 4.31 H new ATOM 474 N LEU A 32 20.460 20.209 6.023 1.00 10.50 N ATOM 475 CA LEU A 32 21.208 18.980 5.798 1.00 25.41 C ATOM 476 C LEU A 32 21.297 18.169 7.088 1.00 40.04 C ATOM 477 O LEU A 32 21.200 16.946 7.061 1.00 73.03 O ATOM 478 CB LEU A 32 22.598 19.282 5.201 1.00 30.42 C ATOM 479 CG LEU A 32 23.649 19.862 6.151 1.00 42.24 C ATOM 480 CD1 LEU A 32 24.356 18.749 6.901 1.00 63.55 C ATOM 481 CD2 LEU A 32 24.654 20.709 5.387 1.00 45.32 C ATOM 0 H LEU A 32 21.000 21.065 5.894 1.00 10.50 H new ATOM 0 HA LEU A 32 20.676 18.373 5.066 1.00 25.41 H new ATOM 0 HB2 LEU A 32 22.994 18.358 4.780 1.00 30.42 H new ATOM 0 HB3 LEU A 32 22.467 19.979 4.373 1.00 30.42 H new ATOM 0 HG LEU A 32 23.142 20.501 6.874 1.00 42.24 H new ATOM 0 HD11 LEU A 32 25.100 19.178 7.572 1.00 63.55 H new ATOM 0 HD12 LEU A 32 23.628 18.182 7.481 1.00 63.55 H new ATOM 0 HD13 LEU A 32 24.849 18.086 6.189 1.00 63.55 H new ATOM 0 HD21 LEU A 32 25.392 21.112 6.081 1.00 45.32 H new ATOM 0 HD22 LEU A 32 25.156 20.093 4.640 1.00 45.32 H new ATOM 0 HD23 LEU A 32 24.136 21.530 4.892 1.00 45.32 H new ATOM 493 N ALA A 33 21.449 18.857 8.217 1.00 25.31 N ATOM 494 CA ALA A 33 21.491 18.192 9.515 1.00 12.22 C ATOM 495 C ALA A 33 20.175 17.486 9.809 1.00 4.10 C ATOM 496 O ALA A 33 20.155 16.339 10.253 1.00 40.14 O ATOM 497 CB ALA A 33 21.801 19.196 10.613 1.00 3.22 C ATOM 0 H ALA A 33 21.545 19.872 8.259 1.00 25.31 H new ATOM 0 HA ALA A 33 22.282 17.443 9.485 1.00 12.22 H new ATOM 0 HB1 ALA A 33 21.829 18.685 11.576 1.00 3.22 H new ATOM 0 HB2 ALA A 33 22.768 19.659 10.420 1.00 3.22 H new ATOM 0 HB3 ALA A 33 21.028 19.964 10.632 1.00 3.22 H new ATOM 503 N LEU A 34 19.076 18.179 9.548 1.00 53.14 N ATOM 504 CA LEU A 34 17.752 17.637 9.800 1.00 63.15 C ATOM 505 C LEU A 34 17.445 16.512 8.816 1.00 74.13 C ATOM 506 O LEU A 34 16.995 15.437 9.209 1.00 75.13 O ATOM 507 CB LEU A 34 16.704 18.759 9.694 1.00 2.44 C ATOM 508 CG LEU A 34 15.296 18.432 10.217 1.00 20.15 C ATOM 509 CD1 LEU A 34 14.515 17.589 9.219 1.00 40.53 C ATOM 510 CD2 LEU A 34 15.380 17.724 11.563 1.00 2.14 C ATOM 0 H LEU A 34 19.077 19.122 9.160 1.00 53.14 H new ATOM 0 HA LEU A 34 17.719 17.223 10.808 1.00 63.15 H new ATOM 0 HB2 LEU A 34 17.077 19.627 10.237 1.00 2.44 H new ATOM 0 HB3 LEU A 34 16.620 19.050 8.647 1.00 2.44 H new ATOM 0 HG LEU A 34 14.761 19.373 10.348 1.00 20.15 H new ATOM 0 HD11 LEU A 34 13.524 17.376 9.620 1.00 40.53 H new ATOM 0 HD12 LEU A 34 14.417 18.134 8.280 1.00 40.53 H new ATOM 0 HD13 LEU A 34 15.044 16.653 9.041 1.00 40.53 H new ATOM 0 HD21 LEU A 34 14.375 17.500 11.919 1.00 2.14 H new ATOM 0 HD22 LEU A 34 15.941 16.796 11.452 1.00 2.14 H new ATOM 0 HD23 LEU A 34 15.884 18.369 12.283 1.00 2.14 H new ATOM 522 N LEU A 35 17.712 16.757 7.542 1.00 33.13 N ATOM 523 CA LEU A 35 17.382 15.802 6.495 1.00 40.52 C ATOM 524 C LEU A 35 18.249 14.549 6.605 1.00 5.24 C ATOM 525 O LEU A 35 17.824 13.462 6.220 1.00 72.35 O ATOM 526 CB LEU A 35 17.537 16.447 5.114 1.00 55.52 C ATOM 527 CG LEU A 35 16.998 15.621 3.942 1.00 3.21 C ATOM 528 CD1 LEU A 35 15.515 15.339 4.122 1.00 51.22 C ATOM 529 CD2 LEU A 35 17.248 16.343 2.626 1.00 64.40 C ATOM 0 H LEU A 35 18.158 17.611 7.208 1.00 33.13 H new ATOM 0 HA LEU A 35 16.342 15.503 6.623 1.00 40.52 H new ATOM 0 HB2 LEU A 35 17.028 17.411 5.122 1.00 55.52 H new ATOM 0 HB3 LEU A 35 18.595 16.646 4.941 1.00 55.52 H new ATOM 0 HG LEU A 35 17.527 14.668 3.920 1.00 3.21 H new ATOM 0 HD11 LEU A 35 15.151 14.751 3.279 1.00 51.22 H new ATOM 0 HD12 LEU A 35 15.360 14.782 5.046 1.00 51.22 H new ATOM 0 HD13 LEU A 35 14.969 16.281 4.170 1.00 51.22 H new ATOM 0 HD21 LEU A 35 16.859 15.744 1.803 1.00 64.40 H new ATOM 0 HD22 LEU A 35 16.745 17.310 2.640 1.00 64.40 H new ATOM 0 HD23 LEU A 35 18.319 16.493 2.491 1.00 64.40 H new ATOM 541 N CYS A 36 19.454 14.701 7.151 1.00 33.14 N ATOM 542 CA CYS A 36 20.353 13.568 7.366 1.00 11.42 C ATOM 543 C CYS A 36 19.777 12.618 8.416 1.00 12.21 C ATOM 544 O CYS A 36 20.181 11.459 8.515 1.00 70.34 O ATOM 545 CB CYS A 36 21.738 14.056 7.805 1.00 4.50 C ATOM 546 SG CYS A 36 22.973 12.743 7.969 1.00 54.32 S ATOM 0 H CYS A 36 19.831 15.599 7.453 1.00 33.14 H new ATOM 0 HA CYS A 36 20.453 13.030 6.423 1.00 11.42 H new ATOM 0 HB2 CYS A 36 22.098 14.789 7.083 1.00 4.50 H new ATOM 0 HB3 CYS A 36 21.643 14.571 8.761 1.00 4.50 H new ATOM 0 HG CYS A 36 22.381 11.625 8.269 1.00 54.32 H new ATOM 552 N ARG A 37 18.820 13.116 9.191 1.00 51.20 N ATOM 553 CA ARG A 37 18.163 12.312 10.213 1.00 34.43 C ATOM 554 C ARG A 37 17.014 11.521 9.596 1.00 14.35 C ATOM 555 O ARG A 37 16.374 10.703 10.259 1.00 42.53 O ATOM 556 CB ARG A 37 17.647 13.211 11.339 1.00 32.30 C ATOM 557 CG ARG A 37 18.734 14.057 11.982 1.00 43.23 C ATOM 558 CD ARG A 37 18.166 15.043 12.992 1.00 5.05 C ATOM 559 NE ARG A 37 17.552 14.382 14.145 1.00 43.43 N ATOM 560 CZ ARG A 37 16.812 15.020 15.058 1.00 2.44 C ATOM 561 NH1 ARG A 37 16.576 16.321 14.930 1.00 61.42 N ATOM 562 NH2 ARG A 37 16.303 14.360 16.095 1.00 55.24 N ATOM 0 H ARG A 37 18.481 14.076 9.130 1.00 51.20 H new ATOM 0 HA ARG A 37 18.885 11.611 10.631 1.00 34.43 H new ATOM 0 HB2 ARG A 37 16.872 13.868 10.943 1.00 32.30 H new ATOM 0 HB3 ARG A 37 17.179 12.591 12.104 1.00 32.30 H new ATOM 0 HG2 ARG A 37 19.455 13.406 12.477 1.00 43.23 H new ATOM 0 HG3 ARG A 37 19.275 14.602 11.208 1.00 43.23 H new ATOM 0 HD2 ARG A 37 18.963 15.702 13.338 1.00 5.05 H new ATOM 0 HD3 ARG A 37 17.423 15.672 12.501 1.00 5.05 H new ATOM 0 HE ARG A 37 17.697 13.379 14.258 1.00 43.43 H new ATOM 0 HH11 ARG A 37 16.959 16.833 14.135 1.00 61.42 H new ATOM 0 HH12 ARG A 37 16.012 16.808 15.626 1.00 61.42 H new ATOM 0 HH21 ARG A 37 16.476 13.360 16.198 1.00 55.24 H new ATOM 0 HH22 ARG A 37 15.740 14.854 16.787 1.00 55.24 H new ATOM 576 N ARG A 38 16.761 11.774 8.319 1.00 2.53 N ATOM 577 CA ARG A 38 15.699 11.098 7.594 1.00 2.05 C ATOM 578 C ARG A 38 16.289 10.259 6.468 1.00 61.41 C ATOM 579 O ARG A 38 15.912 9.103 6.272 1.00 11.31 O ATOM 580 CB ARG A 38 14.708 12.126 7.032 1.00 23.14 C ATOM 581 CG ARG A 38 13.421 11.515 6.501 1.00 24.55 C ATOM 582 CD ARG A 38 12.846 10.530 7.502 1.00 5.44 C ATOM 583 NE ARG A 38 11.431 10.241 7.277 1.00 52.14 N ATOM 584 CZ ARG A 38 10.774 9.268 7.910 1.00 24.15 C ATOM 585 NH1 ARG A 38 11.421 8.454 8.736 1.00 53.54 N ATOM 586 NH2 ARG A 38 9.471 9.106 7.718 1.00 25.01 N ATOM 0 H ARG A 38 17.284 12.450 7.761 1.00 2.53 H new ATOM 0 HA ARG A 38 15.166 10.438 8.278 1.00 2.05 H new ATOM 0 HB2 ARG A 38 14.462 12.844 7.814 1.00 23.14 H new ATOM 0 HB3 ARG A 38 15.193 12.682 6.230 1.00 23.14 H new ATOM 0 HG2 ARG A 38 12.695 12.302 6.299 1.00 24.55 H new ATOM 0 HG3 ARG A 38 13.615 11.009 5.555 1.00 24.55 H new ATOM 0 HD2 ARG A 38 13.412 9.600 7.453 1.00 5.44 H new ATOM 0 HD3 ARG A 38 12.973 10.929 8.509 1.00 5.44 H new ATOM 0 HE ARG A 38 10.921 10.811 6.603 1.00 52.14 H new ATOM 0 HH11 ARG A 38 12.423 8.572 8.888 1.00 53.54 H new ATOM 0 HH12 ARG A 38 10.916 7.711 9.219 1.00 53.54 H new ATOM 0 HH21 ARG A 38 8.968 9.727 7.084 1.00 25.01 H new ATOM 0 HH22 ARG A 38 8.973 8.361 8.204 1.00 25.01 H new ATOM 600 N LEU A 39 17.224 10.851 5.742 1.00 65.23 N ATOM 601 CA LEU A 39 17.888 10.183 4.639 1.00 20.15 C ATOM 602 C LEU A 39 19.398 10.311 4.792 1.00 65.21 C ATOM 603 O LEU A 39 19.882 11.225 5.456 1.00 43.15 O ATOM 604 CB LEU A 39 17.428 10.785 3.309 1.00 10.31 C ATOM 605 CG LEU A 39 15.944 10.584 2.986 1.00 51.21 C ATOM 606 CD1 LEU A 39 15.542 11.418 1.780 1.00 2.22 C ATOM 607 CD2 LEU A 39 15.647 9.113 2.732 1.00 20.33 C ATOM 0 H LEU A 39 17.542 11.807 5.902 1.00 65.23 H new ATOM 0 HA LEU A 39 17.625 9.125 4.648 1.00 20.15 H new ATOM 0 HB2 LEU A 39 17.641 11.854 3.318 1.00 10.31 H new ATOM 0 HB3 LEU A 39 18.022 10.349 2.505 1.00 10.31 H new ATOM 0 HG LEU A 39 15.360 10.913 3.846 1.00 51.21 H new ATOM 0 HD11 LEU A 39 14.485 11.262 1.566 1.00 2.22 H new ATOM 0 HD12 LEU A 39 15.718 12.473 1.992 1.00 2.22 H new ATOM 0 HD13 LEU A 39 16.135 11.118 0.916 1.00 2.22 H new ATOM 0 HD21 LEU A 39 14.588 8.990 2.504 1.00 20.33 H new ATOM 0 HD22 LEU A 39 16.243 8.762 1.890 1.00 20.33 H new ATOM 0 HD23 LEU A 39 15.897 8.533 3.620 1.00 20.33 H new ATOM 619 N SER A 40 20.133 9.397 4.187 1.00 0.33 N ATOM 620 CA SER A 40 21.580 9.364 4.333 1.00 2.24 C ATOM 621 C SER A 40 22.278 10.419 3.465 1.00 60.02 C ATOM 622 O SER A 40 21.641 11.120 2.666 1.00 20.13 O ATOM 623 CB SER A 40 22.091 7.958 4.024 1.00 31.30 C ATOM 624 OG SER A 40 21.190 7.265 3.174 1.00 44.04 O ATOM 0 H SER A 40 19.753 8.665 3.588 1.00 0.33 H new ATOM 0 HA SER A 40 21.824 9.614 5.366 1.00 2.24 H new ATOM 0 HB2 SER A 40 23.070 8.019 3.549 1.00 31.30 H new ATOM 0 HB3 SER A 40 22.221 7.402 4.953 1.00 31.30 H new ATOM 0 HG SER A 40 21.427 7.434 2.238 1.00 44.04 H new ATOM 630 N HIS A 41 23.597 10.519 3.634 1.00 13.31 N ATOM 631 CA HIS A 41 24.386 11.586 3.025 1.00 75.25 C ATOM 632 C HIS A 41 24.324 11.574 1.498 1.00 41.11 C ATOM 633 O HIS A 41 24.433 12.623 0.872 1.00 41.13 O ATOM 634 CB HIS A 41 25.850 11.543 3.512 1.00 10.05 C ATOM 635 CG HIS A 41 26.607 10.289 3.171 1.00 74.22 C ATOM 636 ND1 HIS A 41 26.829 9.271 4.075 1.00 64.11 N ATOM 637 CD2 HIS A 41 27.226 9.910 2.028 1.00 31.41 C ATOM 638 CE1 HIS A 41 27.550 8.324 3.502 1.00 64.54 C ATOM 639 NE2 HIS A 41 27.801 8.689 2.261 1.00 43.23 N ATOM 0 H HIS A 41 24.144 9.866 4.194 1.00 13.31 H new ATOM 0 HA HIS A 41 23.936 12.524 3.351 1.00 75.25 H new ATOM 0 HB2 HIS A 41 26.381 12.395 3.087 1.00 10.05 H new ATOM 0 HB3 HIS A 41 25.859 11.669 4.595 1.00 10.05 H new ATOM 0 HD2 HIS A 41 27.260 10.467 1.104 1.00 31.41 H new ATOM 0 HE1 HIS A 41 27.878 7.408 3.970 1.00 64.54 H new ATOM 0 HE2 HIS A 41 28.338 8.149 1.582 1.00 43.23 H new ATOM 648 N ASP A 42 24.148 10.410 0.888 1.00 23.54 N ATOM 649 CA ASP A 42 24.069 10.346 -0.568 1.00 0.05 C ATOM 650 C ASP A 42 22.720 10.834 -1.071 1.00 12.44 C ATOM 651 O ASP A 42 22.638 11.466 -2.126 1.00 21.11 O ATOM 652 CB ASP A 42 24.353 8.939 -1.089 1.00 61.05 C ATOM 653 CG ASP A 42 25.829 8.717 -1.345 1.00 60.32 C ATOM 654 OD1 ASP A 42 26.359 9.295 -2.322 1.00 63.43 O ATOM 655 OD2 ASP A 42 26.465 7.963 -0.584 1.00 11.00 O ATOM 0 H ASP A 42 24.059 9.513 1.365 1.00 23.54 H new ATOM 0 HA ASP A 42 24.841 11.010 -0.956 1.00 0.05 H new ATOM 0 HB2 ASP A 42 23.996 8.206 -0.366 1.00 61.05 H new ATOM 0 HB3 ASP A 42 23.796 8.775 -2.011 1.00 61.05 H new ATOM 660 N GLU A 43 21.668 10.544 -0.320 1.00 14.52 N ATOM 661 CA GLU A 43 20.337 11.033 -0.643 1.00 51.01 C ATOM 662 C GLU A 43 20.286 12.550 -0.541 1.00 73.32 C ATOM 663 O GLU A 43 19.822 13.230 -1.462 1.00 20.03 O ATOM 664 CB GLU A 43 19.274 10.419 0.279 1.00 51.22 C ATOM 665 CG GLU A 43 18.888 8.985 -0.068 1.00 54.12 C ATOM 666 CD GLU A 43 19.858 7.940 0.453 1.00 74.12 C ATOM 667 OE1 GLU A 43 20.998 8.290 0.824 1.00 44.24 O ATOM 668 OE2 GLU A 43 19.472 6.757 0.520 1.00 43.22 O ATOM 0 H GLU A 43 21.712 9.969 0.522 1.00 14.52 H new ATOM 0 HA GLU A 43 20.119 10.732 -1.668 1.00 51.01 H new ATOM 0 HB2 GLU A 43 19.642 10.445 1.305 1.00 51.22 H new ATOM 0 HB3 GLU A 43 18.379 11.041 0.246 1.00 51.22 H new ATOM 0 HG2 GLU A 43 17.897 8.779 0.336 1.00 54.12 H new ATOM 0 HG3 GLU A 43 18.817 8.891 -1.152 1.00 54.12 H new ATOM 675 N VAL A 44 20.780 13.083 0.573 1.00 12.04 N ATOM 676 CA VAL A 44 20.796 14.528 0.769 1.00 64.12 C ATOM 677 C VAL A 44 21.746 15.198 -0.228 1.00 44.32 C ATOM 678 O VAL A 44 21.493 16.313 -0.684 1.00 4.42 O ATOM 679 CB VAL A 44 21.168 14.923 2.222 1.00 64.34 C ATOM 680 CG1 VAL A 44 20.194 14.299 3.209 1.00 55.54 C ATOM 681 CG2 VAL A 44 22.591 14.520 2.568 1.00 41.02 C ATOM 0 H VAL A 44 21.170 12.543 1.345 1.00 12.04 H new ATOM 0 HA VAL A 44 19.782 14.885 0.588 1.00 64.12 H new ATOM 0 HB VAL A 44 21.102 16.009 2.292 1.00 64.34 H new ATOM 0 HG11 VAL A 44 20.470 14.587 4.224 1.00 55.54 H new ATOM 0 HG12 VAL A 44 19.184 14.649 2.994 1.00 55.54 H new ATOM 0 HG13 VAL A 44 20.229 13.213 3.117 1.00 55.54 H new ATOM 0 HG21 VAL A 44 22.813 14.814 3.594 1.00 41.02 H new ATOM 0 HG22 VAL A 44 22.698 13.440 2.469 1.00 41.02 H new ATOM 0 HG23 VAL A 44 23.285 15.017 1.890 1.00 41.02 H new ATOM 691 N LYS A 45 22.829 14.497 -0.577 1.00 40.31 N ATOM 692 CA LYS A 45 23.751 14.960 -1.609 1.00 12.13 C ATOM 693 C LYS A 45 23.021 15.140 -2.935 1.00 13.43 C ATOM 694 O LYS A 45 23.115 16.189 -3.575 1.00 15.20 O ATOM 695 CB LYS A 45 24.900 13.956 -1.782 1.00 61.33 C ATOM 696 CG LYS A 45 25.815 14.252 -2.960 1.00 2.02 C ATOM 697 CD LYS A 45 26.597 13.017 -3.383 1.00 33.13 C ATOM 698 CE LYS A 45 27.535 12.529 -2.290 1.00 75.13 C ATOM 699 NZ LYS A 45 28.209 11.257 -2.668 1.00 24.32 N ATOM 0 H LYS A 45 23.086 13.604 -0.156 1.00 40.31 H new ATOM 0 HA LYS A 45 24.160 15.922 -1.299 1.00 12.13 H new ATOM 0 HB2 LYS A 45 25.495 13.941 -0.869 1.00 61.33 H new ATOM 0 HB3 LYS A 45 24.480 12.958 -1.905 1.00 61.33 H new ATOM 0 HG2 LYS A 45 25.223 14.614 -3.800 1.00 2.02 H new ATOM 0 HG3 LYS A 45 26.509 15.049 -2.692 1.00 2.02 H new ATOM 0 HD2 LYS A 45 25.901 12.220 -3.645 1.00 33.13 H new ATOM 0 HD3 LYS A 45 27.174 13.244 -4.280 1.00 33.13 H new ATOM 0 HE2 LYS A 45 28.286 13.292 -2.088 1.00 75.13 H new ATOM 0 HE3 LYS A 45 26.973 12.383 -1.367 1.00 75.13 H new ATOM 0 HZ1 LYS A 45 29.129 11.196 -2.188 1.00 24.32 H new ATOM 0 HZ2 LYS A 45 27.616 10.452 -2.383 1.00 24.32 H new ATOM 0 HZ3 LYS A 45 28.354 11.233 -3.698 1.00 24.32 H new ATOM 713 N ALA A 46 22.282 14.108 -3.328 1.00 24.01 N ATOM 714 CA ALA A 46 21.561 14.111 -4.592 1.00 74.23 C ATOM 715 C ALA A 46 20.531 15.233 -4.639 1.00 34.34 C ATOM 716 O ALA A 46 20.527 16.041 -5.571 1.00 23.14 O ATOM 717 CB ALA A 46 20.891 12.764 -4.818 1.00 34.25 C ATOM 0 H ALA A 46 22.167 13.253 -2.783 1.00 24.01 H new ATOM 0 HA ALA A 46 22.281 14.286 -5.391 1.00 74.23 H new ATOM 0 HB1 ALA A 46 20.355 12.779 -5.767 1.00 34.25 H new ATOM 0 HB2 ALA A 46 21.648 11.980 -4.841 1.00 34.25 H new ATOM 0 HB3 ALA A 46 20.189 12.566 -4.008 1.00 34.25 H new ATOM 723 N VAL A 47 19.675 15.287 -3.620 1.00 63.11 N ATOM 724 CA VAL A 47 18.612 16.285 -3.563 1.00 5.15 C ATOM 725 C VAL A 47 19.171 17.702 -3.574 1.00 71.40 C ATOM 726 O VAL A 47 18.708 18.546 -4.342 1.00 3.44 O ATOM 727 CB VAL A 47 17.704 16.087 -2.328 1.00 52.11 C ATOM 728 CG1 VAL A 47 16.865 17.326 -2.052 1.00 2.14 C ATOM 729 CG2 VAL A 47 16.805 14.879 -2.528 1.00 1.32 C ATOM 0 H VAL A 47 19.698 14.651 -2.823 1.00 63.11 H new ATOM 0 HA VAL A 47 18.007 16.144 -4.459 1.00 5.15 H new ATOM 0 HB VAL A 47 18.345 15.917 -1.463 1.00 52.11 H new ATOM 0 HG11 VAL A 47 16.238 17.153 -1.177 1.00 2.14 H new ATOM 0 HG12 VAL A 47 17.522 18.176 -1.866 1.00 2.14 H new ATOM 0 HG13 VAL A 47 16.234 17.538 -2.915 1.00 2.14 H new ATOM 0 HG21 VAL A 47 16.170 14.749 -1.652 1.00 1.32 H new ATOM 0 HG22 VAL A 47 16.181 15.031 -3.409 1.00 1.32 H new ATOM 0 HG23 VAL A 47 17.418 13.988 -2.667 1.00 1.32 H new ATOM 739 N ALA A 48 20.174 17.962 -2.741 1.00 53.54 N ATOM 740 CA ALA A 48 20.759 19.294 -2.663 1.00 3.21 C ATOM 741 C ALA A 48 21.299 19.729 -4.021 1.00 22.54 C ATOM 742 O ALA A 48 21.025 20.839 -4.480 1.00 13.30 O ATOM 743 CB ALA A 48 21.861 19.338 -1.614 1.00 15.11 C ATOM 0 H ALA A 48 20.595 17.274 -2.116 1.00 53.54 H new ATOM 0 HA ALA A 48 19.974 19.990 -2.367 1.00 3.21 H new ATOM 0 HB1 ALA A 48 22.284 20.342 -1.573 1.00 15.11 H new ATOM 0 HB2 ALA A 48 21.447 19.078 -0.640 1.00 15.11 H new ATOM 0 HB3 ALA A 48 22.643 18.625 -1.877 1.00 15.11 H new ATOM 749 N ASN A 49 22.036 18.836 -4.673 1.00 73.23 N ATOM 750 CA ASN A 49 22.659 19.145 -5.955 1.00 11.34 C ATOM 751 C ASN A 49 21.611 19.435 -7.026 1.00 21.14 C ATOM 752 O ASN A 49 21.693 20.449 -7.723 1.00 34.35 O ATOM 753 CB ASN A 49 23.563 17.997 -6.410 1.00 24.22 C ATOM 754 CG ASN A 49 24.282 18.309 -7.713 1.00 72.24 C ATOM 755 OD1 ASN A 49 23.788 17.998 -8.798 1.00 13.43 O ATOM 756 ND2 ASN A 49 25.448 18.932 -7.615 1.00 34.41 N ATOM 0 H ASN A 49 22.217 17.891 -4.334 1.00 73.23 H new ATOM 0 HA ASN A 49 23.265 20.040 -5.816 1.00 11.34 H new ATOM 0 HB2 ASN A 49 24.298 17.787 -5.633 1.00 24.22 H new ATOM 0 HB3 ASN A 49 22.965 17.094 -6.535 1.00 24.22 H new ATOM 0 HD21 ASN A 49 25.971 19.171 -8.458 1.00 34.41 H new ATOM 0 HD22 ASN A 49 25.822 19.172 -6.697 1.00 34.41 H new ATOM 763 N GLU A 50 20.615 18.561 -7.150 1.00 63.12 N ATOM 764 CA GLU A 50 19.610 18.718 -8.193 1.00 22.12 C ATOM 765 C GLU A 50 18.715 19.922 -7.914 1.00 22.40 C ATOM 766 O GLU A 50 18.348 20.650 -8.834 1.00 61.11 O ATOM 767 CB GLU A 50 18.772 17.444 -8.368 1.00 3.54 C ATOM 768 CG GLU A 50 17.932 17.063 -7.163 1.00 54.34 C ATOM 769 CD GLU A 50 17.166 15.779 -7.390 1.00 12.15 C ATOM 770 OE1 GLU A 50 17.752 14.690 -7.207 1.00 72.03 O ATOM 771 OE2 GLU A 50 15.981 15.850 -7.774 1.00 13.25 O ATOM 0 H GLU A 50 20.484 17.747 -6.549 1.00 63.12 H new ATOM 0 HA GLU A 50 20.138 18.896 -9.130 1.00 22.12 H new ATOM 0 HB2 GLU A 50 18.113 17.575 -9.226 1.00 3.54 H new ATOM 0 HB3 GLU A 50 19.441 16.616 -8.603 1.00 3.54 H new ATOM 0 HG2 GLU A 50 18.577 16.951 -6.292 1.00 54.34 H new ATOM 0 HG3 GLU A 50 17.232 17.868 -6.940 1.00 54.34 H new ATOM 778 N LEU A 51 18.391 20.147 -6.645 1.00 72.23 N ATOM 779 CA LEU A 51 17.555 21.280 -6.267 1.00 55.41 C ATOM 780 C LEU A 51 18.281 22.581 -6.598 1.00 24.41 C ATOM 781 O LEU A 51 17.680 23.526 -7.113 1.00 62.31 O ATOM 782 CB LEU A 51 17.190 21.203 -4.773 1.00 14.10 C ATOM 783 CG LEU A 51 16.047 22.121 -4.300 1.00 34.30 C ATOM 784 CD1 LEU A 51 16.522 23.553 -4.108 1.00 63.41 C ATOM 785 CD2 LEU A 51 14.887 22.081 -5.284 1.00 30.24 C ATOM 0 H LEU A 51 18.693 19.563 -5.865 1.00 72.23 H new ATOM 0 HA LEU A 51 16.624 21.251 -6.833 1.00 55.41 H new ATOM 0 HB2 LEU A 51 16.920 20.173 -4.540 1.00 14.10 H new ATOM 0 HB3 LEU A 51 18.081 21.439 -4.191 1.00 14.10 H new ATOM 0 HG LEU A 51 15.706 21.748 -3.334 1.00 34.30 H new ATOM 0 HD11 LEU A 51 15.689 24.171 -3.774 1.00 63.41 H new ATOM 0 HD12 LEU A 51 17.314 23.576 -3.359 1.00 63.41 H new ATOM 0 HD13 LEU A 51 16.904 23.939 -5.053 1.00 63.41 H new ATOM 0 HD21 LEU A 51 14.089 22.736 -4.933 1.00 30.24 H new ATOM 0 HD22 LEU A 51 15.228 22.418 -6.263 1.00 30.24 H new ATOM 0 HD23 LEU A 51 14.511 21.061 -5.362 1.00 30.24 H new ATOM 797 N MET A 52 19.584 22.615 -6.323 1.00 34.31 N ATOM 798 CA MET A 52 20.406 23.775 -6.661 1.00 22.22 C ATOM 799 C MET A 52 20.409 24.019 -8.164 1.00 41.23 C ATOM 800 O MET A 52 20.233 25.147 -8.619 1.00 64.42 O ATOM 801 CB MET A 52 21.854 23.596 -6.190 1.00 43.15 C ATOM 802 CG MET A 52 22.052 23.732 -4.693 1.00 23.10 C ATOM 803 SD MET A 52 23.788 23.627 -4.218 1.00 2.50 S ATOM 804 CE MET A 52 23.669 23.969 -2.467 1.00 45.22 C ATOM 0 H MET A 52 20.091 21.856 -5.869 1.00 34.31 H new ATOM 0 HA MET A 52 19.968 24.632 -6.149 1.00 22.22 H new ATOM 0 HB2 MET A 52 22.205 22.612 -6.502 1.00 43.15 H new ATOM 0 HB3 MET A 52 22.480 24.332 -6.694 1.00 43.15 H new ATOM 0 HG2 MET A 52 21.644 24.686 -4.360 1.00 23.10 H new ATOM 0 HG3 MET A 52 21.490 22.950 -4.182 1.00 23.10 H new ATOM 0 HE1 MET A 52 24.168 23.178 -1.907 1.00 45.22 H new ATOM 0 HE2 MET A 52 24.146 24.925 -2.250 1.00 45.22 H new ATOM 0 HE3 MET A 52 22.620 24.013 -2.175 1.00 45.22 H new ATOM 814 N ARG A 53 20.612 22.956 -8.930 1.00 0.12 N ATOM 815 CA ARG A 53 20.759 23.074 -10.372 1.00 31.34 C ATOM 816 C ARG A 53 19.435 23.403 -11.059 1.00 53.14 C ATOM 817 O ARG A 53 19.401 24.208 -11.989 1.00 11.32 O ATOM 818 CB ARG A 53 21.356 21.795 -10.961 1.00 43.45 C ATOM 819 CG ARG A 53 21.793 21.956 -12.405 1.00 71.50 C ATOM 820 CD ARG A 53 22.747 23.133 -12.546 1.00 51.30 C ATOM 821 NE ARG A 53 23.031 23.459 -13.940 1.00 54.25 N ATOM 822 CZ ARG A 53 22.559 24.545 -14.555 1.00 53.43 C ATOM 823 NH1 ARG A 53 21.701 25.349 -13.931 1.00 52.52 N ATOM 824 NH2 ARG A 53 22.925 24.821 -15.799 1.00 40.44 N ATOM 0 H ARG A 53 20.679 22.002 -8.575 1.00 0.12 H new ATOM 0 HA ARG A 53 21.441 23.904 -10.557 1.00 31.34 H new ATOM 0 HB2 ARG A 53 22.212 21.490 -10.360 1.00 43.45 H new ATOM 0 HB3 ARG A 53 20.620 20.994 -10.897 1.00 43.45 H new ATOM 0 HG2 ARG A 53 22.280 21.043 -12.748 1.00 71.50 H new ATOM 0 HG3 ARG A 53 20.921 22.110 -13.040 1.00 71.50 H new ATOM 0 HD2 ARG A 53 22.318 24.005 -12.052 1.00 51.30 H new ATOM 0 HD3 ARG A 53 23.681 22.903 -12.033 1.00 51.30 H new ATOM 0 HE ARG A 53 23.623 22.822 -14.473 1.00 54.25 H new ATOM 0 HH11 ARG A 53 21.402 25.136 -12.979 1.00 52.52 H new ATOM 0 HH12 ARG A 53 21.342 26.178 -14.405 1.00 52.52 H new ATOM 0 HH21 ARG A 53 23.570 24.202 -16.290 1.00 40.44 H new ATOM 0 HH22 ARG A 53 22.562 25.652 -16.265 1.00 40.44 H new ATOM 838 N LEU A 54 18.351 22.779 -10.604 1.00 71.25 N ATOM 839 CA LEU A 54 17.047 22.972 -11.234 1.00 62.34 C ATOM 840 C LEU A 54 16.432 24.313 -10.851 1.00 22.45 C ATOM 841 O LEU A 54 15.710 24.922 -11.643 1.00 5.15 O ATOM 842 CB LEU A 54 16.095 21.834 -10.848 1.00 64.53 C ATOM 843 CG LEU A 54 16.498 20.450 -11.359 1.00 41.12 C ATOM 844 CD1 LEU A 54 15.519 19.394 -10.872 1.00 41.11 C ATOM 845 CD2 LEU A 54 16.574 20.449 -12.878 1.00 13.34 C ATOM 0 H LEU A 54 18.349 22.141 -9.808 1.00 71.25 H new ATOM 0 HA LEU A 54 17.199 22.966 -12.313 1.00 62.34 H new ATOM 0 HB2 LEU A 54 16.021 21.796 -9.761 1.00 64.53 H new ATOM 0 HB3 LEU A 54 15.100 22.069 -11.227 1.00 64.53 H new ATOM 0 HG LEU A 54 17.484 20.209 -10.963 1.00 41.12 H new ATOM 0 HD11 LEU A 54 15.823 18.416 -11.246 1.00 41.11 H new ATOM 0 HD12 LEU A 54 15.512 19.379 -9.782 1.00 41.11 H new ATOM 0 HD13 LEU A 54 14.519 19.628 -11.238 1.00 41.11 H new ATOM 0 HD21 LEU A 54 16.862 19.457 -13.227 1.00 13.34 H new ATOM 0 HD22 LEU A 54 15.600 20.711 -13.291 1.00 13.34 H new ATOM 0 HD23 LEU A 54 17.315 21.178 -13.206 1.00 13.34 H new ATOM 857 N GLY A 55 16.718 24.774 -9.645 1.00 41.21 N ATOM 858 CA GLY A 55 16.193 26.046 -9.200 1.00 63.30 C ATOM 859 C GLY A 55 17.294 27.038 -8.908 1.00 62.12 C ATOM 860 O GLY A 55 18.284 27.107 -9.638 1.00 34.14 O ATOM 0 H GLY A 55 17.305 24.290 -8.966 1.00 41.21 H new ATOM 0 HA2 GLY A 55 15.531 26.453 -9.964 1.00 63.30 H new ATOM 0 HA3 GLY A 55 15.591 25.897 -8.303 1.00 63.30 H new ATOM 864 N ASP A 56 17.122 27.812 -7.850 1.00 0.02 N ATOM 865 CA ASP A 56 18.154 28.737 -7.409 1.00 15.42 C ATOM 866 C ASP A 56 18.410 28.553 -5.925 1.00 64.31 C ATOM 867 O ASP A 56 17.476 28.444 -5.128 1.00 71.51 O ATOM 868 CB ASP A 56 17.767 30.189 -7.705 1.00 73.02 C ATOM 869 CG ASP A 56 17.731 30.493 -9.190 1.00 5.42 C ATOM 870 OD1 ASP A 56 18.808 30.571 -9.819 1.00 0.31 O ATOM 871 OD2 ASP A 56 16.620 30.658 -9.738 1.00 72.25 O ATOM 0 H ASP A 56 16.277 27.819 -7.279 1.00 0.02 H new ATOM 0 HA ASP A 56 19.067 28.518 -7.963 1.00 15.42 H new ATOM 0 HB2 ASP A 56 16.788 30.395 -7.272 1.00 73.02 H new ATOM 0 HB3 ASP A 56 18.478 30.857 -7.219 1.00 73.02 H new ATOM 876 N PHE A 57 19.679 28.511 -5.569 1.00 41.20 N ATOM 877 CA PHE A 57 20.102 28.247 -4.207 1.00 0.01 C ATOM 878 C PHE A 57 21.235 29.211 -3.867 1.00 54.22 C ATOM 879 O PHE A 57 21.570 30.082 -4.670 1.00 53.24 O ATOM 880 CB PHE A 57 20.595 26.795 -4.119 1.00 1.34 C ATOM 881 CG PHE A 57 20.310 26.077 -2.823 1.00 74.43 C ATOM 882 CD1 PHE A 57 21.000 26.387 -1.662 1.00 34.42 C ATOM 883 CD2 PHE A 57 19.368 25.063 -2.780 1.00 53.03 C ATOM 884 CE1 PHE A 57 20.760 25.699 -0.490 1.00 53.11 C ATOM 885 CE2 PHE A 57 19.119 24.374 -1.609 1.00 74.50 C ATOM 886 CZ PHE A 57 19.816 24.694 -0.462 1.00 15.54 C ATOM 0 H PHE A 57 20.450 28.660 -6.220 1.00 41.20 H new ATOM 0 HA PHE A 57 19.280 28.387 -3.505 1.00 0.01 H new ATOM 0 HB2 PHE A 57 20.142 26.228 -4.932 1.00 1.34 H new ATOM 0 HB3 PHE A 57 21.672 26.787 -4.286 1.00 1.34 H new ATOM 0 HD1 PHE A 57 21.736 27.178 -1.674 1.00 34.42 H new ATOM 0 HD2 PHE A 57 18.820 24.807 -3.675 1.00 53.03 H new ATOM 0 HE1 PHE A 57 21.311 25.948 0.405 1.00 53.11 H new ATOM 0 HE2 PHE A 57 18.380 23.586 -1.591 1.00 74.50 H new ATOM 0 HZ PHE A 57 19.623 24.159 0.456 1.00 15.54 H new ATOM 896 N ASP A 58 21.817 29.072 -2.694 1.00 55.52 N ATOM 897 CA ASP A 58 23.019 29.817 -2.369 1.00 42.31 C ATOM 898 C ASP A 58 24.222 28.953 -2.721 1.00 31.30 C ATOM 899 O ASP A 58 24.181 27.733 -2.544 1.00 23.35 O ATOM 900 CB ASP A 58 23.045 30.203 -0.888 1.00 72.43 C ATOM 901 CG ASP A 58 24.031 31.320 -0.599 1.00 71.31 C ATOM 902 OD1 ASP A 58 25.252 31.063 -0.591 1.00 3.53 O ATOM 903 OD2 ASP A 58 23.588 32.468 -0.378 1.00 11.45 O ATOM 0 H ASP A 58 21.482 28.455 -1.954 1.00 55.52 H new ATOM 0 HA ASP A 58 23.043 30.744 -2.942 1.00 42.31 H new ATOM 0 HB2 ASP A 58 22.047 30.514 -0.579 1.00 72.43 H new ATOM 0 HB3 ASP A 58 23.306 29.329 -0.292 1.00 72.43 H new ATOM 908 N GLN A 59 25.272 29.564 -3.246 1.00 65.13 N ATOM 909 CA GLN A 59 26.429 28.815 -3.716 1.00 61.52 C ATOM 910 C GLN A 59 27.282 28.323 -2.552 1.00 42.02 C ATOM 911 O GLN A 59 28.274 28.952 -2.175 1.00 22.20 O ATOM 912 CB GLN A 59 27.267 29.655 -4.684 1.00 52.04 C ATOM 913 CG GLN A 59 26.737 29.667 -6.115 1.00 33.10 C ATOM 914 CD GLN A 59 25.291 30.118 -6.221 1.00 42.12 C ATOM 915 OE1 GLN A 59 24.367 29.306 -6.161 1.00 43.20 O ATOM 916 NE2 GLN A 59 25.084 31.413 -6.387 1.00 63.24 N ATOM 0 H GLN A 59 25.348 30.575 -3.358 1.00 65.13 H new ATOM 0 HA GLN A 59 26.060 27.941 -4.252 1.00 61.52 H new ATOM 0 HB2 GLN A 59 27.311 30.680 -4.315 1.00 52.04 H new ATOM 0 HB3 GLN A 59 28.288 29.274 -4.689 1.00 52.04 H new ATOM 0 HG2 GLN A 59 27.360 30.326 -6.719 1.00 33.10 H new ATOM 0 HG3 GLN A 59 26.829 28.666 -6.537 1.00 33.10 H new ATOM 0 HE21 GLN A 59 25.876 32.054 -6.432 1.00 63.24 H new ATOM 0 HE22 GLN A 59 24.132 31.771 -6.470 1.00 63.24 H new ATOM 925 N ILE A 60 26.862 27.208 -1.974 1.00 73.33 N ATOM 926 CA ILE A 60 27.584 26.563 -0.889 1.00 52.00 C ATOM 927 C ILE A 60 27.694 25.067 -1.152 1.00 62.32 C ATOM 928 O ILE A 60 26.728 24.433 -1.579 1.00 61.30 O ATOM 929 CB ILE A 60 26.892 26.789 0.475 1.00 22.03 C ATOM 930 CG1 ILE A 60 25.395 26.475 0.377 1.00 74.12 C ATOM 931 CG2 ILE A 60 27.113 28.216 0.959 1.00 12.40 C ATOM 932 CD1 ILE A 60 24.660 26.580 1.695 1.00 34.21 C ATOM 0 H ILE A 60 26.007 26.723 -2.246 1.00 73.33 H new ATOM 0 HA ILE A 60 28.577 27.010 -0.847 1.00 52.00 H new ATOM 0 HB ILE A 60 27.337 26.110 1.203 1.00 22.03 H new ATOM 0 HG12 ILE A 60 24.937 27.157 -0.339 1.00 74.12 H new ATOM 0 HG13 ILE A 60 25.270 25.467 -0.018 1.00 74.12 H new ATOM 0 HG21 ILE A 60 26.618 28.355 1.920 1.00 12.40 H new ATOM 0 HG22 ILE A 60 28.181 28.401 1.071 1.00 12.40 H new ATOM 0 HG23 ILE A 60 26.698 28.915 0.233 1.00 12.40 H new ATOM 0 HD11 ILE A 60 23.607 26.344 1.544 1.00 34.21 H new ATOM 0 HD12 ILE A 60 25.091 25.878 2.409 1.00 34.21 H new ATOM 0 HD13 ILE A 60 24.752 27.594 2.083 1.00 34.21 H new ATOM 944 N ASP A 61 28.868 24.506 -0.914 1.00 74.15 N ATOM 945 CA ASP A 61 29.080 23.082 -1.127 1.00 11.11 C ATOM 946 C ASP A 61 28.554 22.265 0.045 1.00 32.54 C ATOM 947 O ASP A 61 29.276 21.956 0.992 1.00 44.33 O ATOM 948 CB ASP A 61 30.562 22.774 -1.381 1.00 43.43 C ATOM 949 CG ASP A 61 31.498 23.566 -0.490 1.00 44.22 C ATOM 950 OD1 ASP A 61 31.630 24.789 -0.710 1.00 63.43 O ATOM 951 OD2 ASP A 61 32.135 22.970 0.395 1.00 51.15 O ATOM 0 H ASP A 61 29.686 25.011 -0.575 1.00 74.15 H new ATOM 0 HA ASP A 61 28.518 22.796 -2.016 1.00 11.11 H new ATOM 0 HB2 ASP A 61 30.737 21.709 -1.225 1.00 43.43 H new ATOM 0 HB3 ASP A 61 30.797 22.987 -2.424 1.00 43.43 H new ATOM 956 N ILE A 62 27.278 21.922 -0.033 1.00 1.14 N ATOM 957 CA ILE A 62 26.640 21.091 0.978 1.00 44.54 C ATOM 958 C ILE A 62 27.202 19.673 0.928 1.00 35.03 C ATOM 959 O ILE A 62 27.295 18.993 1.950 1.00 21.22 O ATOM 960 CB ILE A 62 25.106 21.061 0.783 1.00 53.15 C ATOM 961 CG1 ILE A 62 24.536 22.473 0.924 1.00 34.35 C ATOM 962 CG2 ILE A 62 24.443 20.115 1.779 1.00 21.32 C ATOM 963 CD1 ILE A 62 23.042 22.551 0.707 1.00 32.22 C ATOM 0 H ILE A 62 26.659 22.208 -0.792 1.00 1.14 H new ATOM 0 HA ILE A 62 26.852 21.524 1.956 1.00 44.54 H new ATOM 0 HB ILE A 62 24.894 20.690 -0.220 1.00 53.15 H new ATOM 0 HG12 ILE A 62 24.770 22.852 1.919 1.00 34.35 H new ATOM 0 HG13 ILE A 62 25.033 23.129 0.209 1.00 34.35 H new ATOM 0 HG21 ILE A 62 23.365 20.115 1.618 1.00 21.32 H new ATOM 0 HG22 ILE A 62 24.832 19.107 1.637 1.00 21.32 H new ATOM 0 HG23 ILE A 62 24.658 20.447 2.795 1.00 21.32 H new ATOM 0 HD11 ILE A 62 22.711 23.583 0.823 1.00 32.22 H new ATOM 0 HD12 ILE A 62 22.802 22.204 -0.298 1.00 32.22 H new ATOM 0 HD13 ILE A 62 22.535 21.923 1.439 1.00 32.22 H new ATOM 975 N GLY A 63 27.609 19.253 -0.269 1.00 31.43 N ATOM 976 CA GLY A 63 28.163 17.923 -0.453 1.00 52.11 C ATOM 977 C GLY A 63 29.389 17.679 0.405 1.00 31.22 C ATOM 978 O GLY A 63 29.640 16.553 0.834 1.00 14.54 O ATOM 0 H GLY A 63 27.564 19.815 -1.119 1.00 31.43 H new ATOM 0 HA2 GLY A 63 27.402 17.180 -0.213 1.00 52.11 H new ATOM 0 HA3 GLY A 63 28.425 17.784 -1.502 1.00 52.11 H new ATOM 982 N VAL A 64 30.145 18.734 0.667 1.00 13.42 N ATOM 983 CA VAL A 64 31.336 18.635 1.494 1.00 34.32 C ATOM 984 C VAL A 64 30.961 18.554 2.975 1.00 53.31 C ATOM 985 O VAL A 64 31.528 17.761 3.726 1.00 3.43 O ATOM 986 CB VAL A 64 32.279 19.836 1.247 1.00 54.13 C ATOM 987 CG1 VAL A 64 33.430 19.847 2.240 1.00 30.14 C ATOM 988 CG2 VAL A 64 32.808 19.801 -0.180 1.00 21.11 C ATOM 0 H VAL A 64 29.953 19.672 0.317 1.00 13.42 H new ATOM 0 HA VAL A 64 31.861 17.721 1.218 1.00 34.32 H new ATOM 0 HB VAL A 64 31.706 20.752 1.391 1.00 54.13 H new ATOM 0 HG11 VAL A 64 34.075 20.703 2.040 1.00 30.14 H new ATOM 0 HG12 VAL A 64 33.035 19.919 3.254 1.00 30.14 H new ATOM 0 HG13 VAL A 64 34.006 18.927 2.139 1.00 30.14 H new ATOM 0 HG21 VAL A 64 33.471 20.651 -0.343 1.00 21.11 H new ATOM 0 HG22 VAL A 64 33.359 18.875 -0.341 1.00 21.11 H new ATOM 0 HG23 VAL A 64 31.973 19.852 -0.879 1.00 21.11 H new ATOM 998 N VAL A 65 29.977 19.349 3.375 1.00 25.53 N ATOM 999 CA VAL A 65 29.550 19.405 4.771 1.00 41.35 C ATOM 1000 C VAL A 65 28.906 18.088 5.208 1.00 15.00 C ATOM 1001 O VAL A 65 29.148 17.604 6.311 1.00 61.02 O ATOM 1002 CB VAL A 65 28.551 20.560 5.013 1.00 41.42 C ATOM 1003 CG1 VAL A 65 28.214 20.687 6.492 1.00 52.00 C ATOM 1004 CG2 VAL A 65 29.102 21.872 4.477 1.00 63.33 C ATOM 0 H VAL A 65 29.457 19.967 2.752 1.00 25.53 H new ATOM 0 HA VAL A 65 30.447 19.581 5.365 1.00 41.35 H new ATOM 0 HB VAL A 65 27.633 20.328 4.473 1.00 41.42 H new ATOM 0 HG11 VAL A 65 27.510 21.506 6.636 1.00 52.00 H new ATOM 0 HG12 VAL A 65 27.766 19.758 6.844 1.00 52.00 H new ATOM 0 HG13 VAL A 65 29.124 20.888 7.057 1.00 52.00 H new ATOM 0 HG21 VAL A 65 28.382 22.670 4.658 1.00 63.33 H new ATOM 0 HG22 VAL A 65 30.039 22.107 4.982 1.00 63.33 H new ATOM 0 HG23 VAL A 65 29.280 21.781 3.406 1.00 63.33 H new ATOM 1014 N ILE A 66 28.097 17.502 4.333 1.00 60.32 N ATOM 1015 CA ILE A 66 27.375 16.276 4.666 1.00 21.23 C ATOM 1016 C ILE A 66 28.298 15.061 4.699 1.00 32.33 C ATOM 1017 O ILE A 66 27.989 14.059 5.343 1.00 44.40 O ATOM 1018 CB ILE A 66 26.230 16.005 3.674 1.00 4.44 C ATOM 1019 CG1 ILE A 66 26.775 15.894 2.249 1.00 1.10 C ATOM 1020 CG2 ILE A 66 25.179 17.100 3.770 1.00 30.33 C ATOM 1021 CD1 ILE A 66 25.713 15.649 1.204 1.00 22.24 C ATOM 0 H ILE A 66 27.924 17.853 3.391 1.00 60.32 H new ATOM 0 HA ILE A 66 26.960 16.432 5.662 1.00 21.23 H new ATOM 0 HB ILE A 66 25.759 15.057 3.932 1.00 4.44 H new ATOM 0 HG12 ILE A 66 27.308 16.812 2.002 1.00 1.10 H new ATOM 0 HG13 ILE A 66 27.502 15.083 2.211 1.00 1.10 H new ATOM 0 HG21 ILE A 66 24.375 16.896 3.063 1.00 30.33 H new ATOM 0 HG22 ILE A 66 24.774 17.128 4.782 1.00 30.33 H new ATOM 0 HG23 ILE A 66 25.634 18.062 3.534 1.00 30.33 H new ATOM 0 HD11 ILE A 66 26.179 15.582 0.221 1.00 22.24 H new ATOM 0 HD12 ILE A 66 25.195 14.716 1.424 1.00 22.24 H new ATOM 0 HD13 ILE A 66 24.998 16.472 1.212 1.00 22.24 H new ATOM 1033 N THR A 67 29.424 15.143 4.004 1.00 14.14 N ATOM 1034 CA THR A 67 30.356 14.029 3.955 1.00 50.13 C ATOM 1035 C THR A 67 31.454 14.197 5.002 1.00 71.42 C ATOM 1036 O THR A 67 32.213 13.265 5.287 1.00 32.31 O ATOM 1037 CB THR A 67 30.975 13.874 2.551 1.00 41.24 C ATOM 1038 OG1 THR A 67 31.510 15.128 2.102 1.00 22.32 O ATOM 1039 CG2 THR A 67 29.932 13.372 1.555 1.00 74.34 C ATOM 0 H THR A 67 29.711 15.963 3.471 1.00 14.14 H new ATOM 0 HA THR A 67 29.795 13.121 4.178 1.00 50.13 H new ATOM 0 HB THR A 67 31.781 13.143 2.613 1.00 41.24 H new ATOM 0 HG1 THR A 67 30.963 15.472 1.366 1.00 22.32 H new ATOM 0 HG21 THR A 67 30.389 13.269 0.571 1.00 74.34 H new ATOM 0 HG22 THR A 67 29.553 12.404 1.882 1.00 74.34 H new ATOM 0 HG23 THR A 67 29.109 14.084 1.500 1.00 74.34 H new ATOM 1047 N HIS A 68 31.526 15.390 5.575 1.00 62.10 N ATOM 1048 CA HIS A 68 32.460 15.679 6.651 1.00 75.44 C ATOM 1049 C HIS A 68 31.958 16.861 7.470 1.00 63.13 C ATOM 1050 O HIS A 68 32.160 18.019 7.101 1.00 34.35 O ATOM 1051 CB HIS A 68 33.867 15.960 6.104 1.00 73.14 C ATOM 1052 CG HIS A 68 34.878 16.264 7.170 1.00 52.01 C ATOM 1053 ND1 HIS A 68 35.714 17.355 7.117 1.00 65.54 N ATOM 1054 CD2 HIS A 68 35.184 15.615 8.319 1.00 52.12 C ATOM 1055 CE1 HIS A 68 36.488 17.369 8.186 1.00 12.54 C ATOM 1056 NE2 HIS A 68 36.186 16.323 8.934 1.00 54.52 N ATOM 0 H HIS A 68 30.941 16.181 5.308 1.00 62.10 H new ATOM 0 HA HIS A 68 32.524 14.802 7.295 1.00 75.44 H new ATOM 0 HB2 HIS A 68 34.204 15.096 5.532 1.00 73.14 H new ATOM 0 HB3 HIS A 68 33.817 16.801 5.412 1.00 73.14 H new ATOM 0 HD2 HIS A 68 34.724 14.708 8.684 1.00 52.12 H new ATOM 0 HE1 HIS A 68 37.241 18.110 8.411 1.00 12.54 H new ATOM 0 HE2 HIS A 68 36.625 16.081 9.822 1.00 54.52 H new ATOM 1065 N PHE A 69 31.290 16.560 8.573 1.00 30.31 N ATOM 1066 CA PHE A 69 30.729 17.591 9.434 1.00 22.22 C ATOM 1067 C PHE A 69 31.836 18.374 10.123 1.00 3.34 C ATOM 1068 O PHE A 69 32.845 17.806 10.549 1.00 14.12 O ATOM 1069 CB PHE A 69 29.787 16.973 10.471 1.00 5.11 C ATOM 1070 CG PHE A 69 28.530 16.403 9.875 1.00 12.44 C ATOM 1071 CD1 PHE A 69 28.493 15.098 9.411 1.00 70.53 C ATOM 1072 CD2 PHE A 69 27.385 17.177 9.779 1.00 75.14 C ATOM 1073 CE1 PHE A 69 27.337 14.576 8.863 1.00 1.20 C ATOM 1074 CE2 PHE A 69 26.227 16.660 9.232 1.00 11.41 C ATOM 1075 CZ PHE A 69 26.202 15.358 8.774 1.00 61.22 C ATOM 0 H PHE A 69 31.122 15.607 8.894 1.00 30.31 H new ATOM 0 HA PHE A 69 30.155 18.279 8.813 1.00 22.22 H new ATOM 0 HB2 PHE A 69 30.316 16.184 11.006 1.00 5.11 H new ATOM 0 HB3 PHE A 69 29.519 17.733 11.205 1.00 5.11 H new ATOM 0 HD1 PHE A 69 29.378 14.482 9.478 1.00 70.53 H new ATOM 0 HD2 PHE A 69 27.398 18.196 10.136 1.00 75.14 H new ATOM 0 HE1 PHE A 69 27.321 13.557 8.505 1.00 1.20 H new ATOM 0 HE2 PHE A 69 25.341 17.274 9.163 1.00 11.41 H new ATOM 0 HZ PHE A 69 25.297 14.952 8.347 1.00 61.22 H new ATOM 1085 N THR A 70 31.646 19.679 10.214 1.00 73.34 N ATOM 1086 CA THR A 70 32.631 20.556 10.815 1.00 1.43 C ATOM 1087 C THR A 70 32.445 20.598 12.334 1.00 12.24 C ATOM 1088 O THR A 70 31.543 19.954 12.871 1.00 70.15 O ATOM 1089 CB THR A 70 32.506 21.972 10.225 1.00 44.13 C ATOM 1090 OG1 THR A 70 31.843 21.900 8.953 1.00 53.25 O ATOM 1091 CG2 THR A 70 33.876 22.610 10.036 1.00 54.12 C ATOM 0 H THR A 70 30.810 20.156 9.876 1.00 73.34 H new ATOM 0 HA THR A 70 33.626 20.170 10.596 1.00 1.43 H new ATOM 0 HB THR A 70 31.930 22.583 10.920 1.00 44.13 H new ATOM 0 HG1 THR A 70 31.760 22.801 8.576 1.00 53.25 H new ATOM 0 HG21 THR A 70 33.757 23.610 9.618 1.00 54.12 H new ATOM 0 HG22 THR A 70 34.382 22.677 10.999 1.00 54.12 H new ATOM 0 HG23 THR A 70 34.471 22.000 9.356 1.00 54.12 H new ATOM 1099 N ASP A 71 33.297 21.346 13.022 1.00 4.40 N ATOM 1100 CA ASP A 71 33.238 21.427 14.477 1.00 51.42 C ATOM 1101 C ASP A 71 32.038 22.250 14.931 1.00 70.43 C ATOM 1102 O ASP A 71 31.229 21.795 15.736 1.00 25.34 O ATOM 1103 CB ASP A 71 34.523 22.045 15.033 1.00 3.12 C ATOM 1104 CG ASP A 71 35.760 21.240 14.692 1.00 32.33 C ATOM 1105 OD1 ASP A 71 36.374 21.506 13.634 1.00 43.24 O ATOM 1106 OD2 ASP A 71 36.138 20.347 15.482 1.00 55.22 O ATOM 0 H ASP A 71 34.037 21.905 12.597 1.00 4.40 H new ATOM 0 HA ASP A 71 33.132 20.413 14.861 1.00 51.42 H new ATOM 0 HB2 ASP A 71 34.634 23.056 14.640 1.00 3.12 H new ATOM 0 HB3 ASP A 71 34.439 22.132 16.116 1.00 3.12 H new ATOM 1111 N GLU A 72 31.926 23.462 14.402 1.00 53.51 N ATOM 1112 CA GLU A 72 30.851 24.369 14.784 1.00 25.43 C ATOM 1113 C GLU A 72 29.583 24.106 13.979 1.00 33.41 C ATOM 1114 O GLU A 72 28.474 24.317 14.467 1.00 73.40 O ATOM 1115 CB GLU A 72 31.293 25.819 14.584 1.00 22.45 C ATOM 1116 CG GLU A 72 31.623 26.551 15.875 1.00 12.13 C ATOM 1117 CD GLU A 72 32.671 25.848 16.711 1.00 21.13 C ATOM 1118 OE1 GLU A 72 33.850 25.824 16.300 1.00 34.31 O ATOM 1119 OE2 GLU A 72 32.323 25.331 17.790 1.00 21.12 O ATOM 0 H GLU A 72 32.568 23.840 13.706 1.00 53.51 H new ATOM 0 HA GLU A 72 30.628 24.194 15.836 1.00 25.43 H new ATOM 0 HB2 GLU A 72 32.169 25.834 13.936 1.00 22.45 H new ATOM 0 HB3 GLU A 72 30.503 26.360 14.064 1.00 22.45 H new ATOM 0 HG2 GLU A 72 31.973 27.555 15.636 1.00 12.13 H new ATOM 0 HG3 GLU A 72 30.713 26.662 16.464 1.00 12.13 H new ATOM 1126 N LEU A 73 29.753 23.640 12.752 1.00 73.25 N ATOM 1127 CA LEU A 73 28.630 23.471 11.839 1.00 13.42 C ATOM 1128 C LEU A 73 28.085 22.050 11.903 1.00 3.21 C ATOM 1129 O LEU A 73 28.851 21.087 11.890 1.00 21.12 O ATOM 1130 CB LEU A 73 29.038 23.796 10.392 1.00 45.25 C ATOM 1131 CG LEU A 73 29.452 25.250 10.113 1.00 34.40 C ATOM 1132 CD1 LEU A 73 28.445 26.224 10.705 1.00 1.43 C ATOM 1133 CD2 LEU A 73 30.854 25.530 10.634 1.00 14.24 C ATOM 0 H LEU A 73 30.657 23.372 12.364 1.00 73.25 H new ATOM 0 HA LEU A 73 27.851 24.167 12.152 1.00 13.42 H new ATOM 0 HB2 LEU A 73 29.867 23.145 10.116 1.00 45.25 H new ATOM 0 HB3 LEU A 73 28.204 23.546 9.737 1.00 45.25 H new ATOM 0 HG LEU A 73 29.464 25.394 9.033 1.00 34.40 H new ATOM 0 HD11 LEU A 73 28.760 27.246 10.494 1.00 1.43 H new ATOM 0 HD12 LEU A 73 27.465 26.048 10.262 1.00 1.43 H new ATOM 0 HD13 LEU A 73 28.387 26.077 11.784 1.00 1.43 H new ATOM 0 HD21 LEU A 73 31.121 26.566 10.423 1.00 14.24 H new ATOM 0 HD22 LEU A 73 30.883 25.360 11.710 1.00 14.24 H new ATOM 0 HD23 LEU A 73 31.564 24.865 10.142 1.00 14.24 H new ATOM 1145 N PRO A 74 26.754 21.894 11.968 1.00 15.30 N ATOM 1146 CA PRO A 74 25.808 23.002 12.048 1.00 74.21 C ATOM 1147 C PRO A 74 25.417 23.329 13.491 1.00 3.21 C ATOM 1148 O PRO A 74 25.593 22.509 14.394 1.00 20.44 O ATOM 1149 CB PRO A 74 24.614 22.449 11.278 1.00 52.45 C ATOM 1150 CG PRO A 74 24.640 20.973 11.531 1.00 33.51 C ATOM 1151 CD PRO A 74 26.051 20.605 11.940 1.00 1.34 C ATOM 0 HA PRO A 74 26.209 23.936 11.654 1.00 74.21 H new ATOM 0 HB2 PRO A 74 23.681 22.893 11.625 1.00 52.45 H new ATOM 0 HB3 PRO A 74 24.695 22.669 10.213 1.00 52.45 H new ATOM 0 HG2 PRO A 74 23.932 20.706 12.315 1.00 33.51 H new ATOM 0 HG3 PRO A 74 24.345 20.425 10.636 1.00 33.51 H new ATOM 0 HD2 PRO A 74 26.071 20.117 12.915 1.00 1.34 H new ATOM 0 HD3 PRO A 74 26.507 19.916 11.229 1.00 1.34 H new ATOM 1159 N SER A 75 24.880 24.519 13.703 1.00 34.34 N ATOM 1160 CA SER A 75 24.513 24.961 15.039 1.00 31.40 C ATOM 1161 C SER A 75 23.077 24.557 15.384 1.00 52.02 C ATOM 1162 O SER A 75 22.159 24.690 14.563 1.00 0.30 O ATOM 1163 CB SER A 75 24.675 26.475 15.144 1.00 31.21 C ATOM 1164 OG SER A 75 25.945 26.886 14.664 1.00 22.13 O ATOM 0 H SER A 75 24.688 25.198 12.966 1.00 34.34 H new ATOM 0 HA SER A 75 25.177 24.475 15.754 1.00 31.40 H new ATOM 0 HB2 SER A 75 23.889 26.969 14.572 1.00 31.21 H new ATOM 0 HB3 SER A 75 24.557 26.786 16.182 1.00 31.21 H new ATOM 0 HG SER A 75 26.024 27.860 14.740 1.00 22.13 H new ATOM 1170 N PRO A 76 22.865 24.051 16.614 1.00 45.34 N ATOM 1171 CA PRO A 76 21.544 23.626 17.089 1.00 5.21 C ATOM 1172 C PRO A 76 20.500 24.739 17.006 1.00 44.52 C ATOM 1173 O PRO A 76 19.313 24.472 16.816 1.00 51.42 O ATOM 1174 CB PRO A 76 21.784 23.222 18.552 1.00 72.21 C ATOM 1175 CG PRO A 76 23.121 23.775 18.910 1.00 41.55 C ATOM 1176 CD PRO A 76 23.905 23.833 17.632 1.00 65.15 C ATOM 0 HA PRO A 76 21.144 22.819 16.475 1.00 5.21 H new ATOM 0 HB2 PRO A 76 21.007 23.625 19.202 1.00 72.21 H new ATOM 0 HB3 PRO A 76 21.765 22.138 18.667 1.00 72.21 H new ATOM 0 HG2 PRO A 76 23.026 24.766 19.354 1.00 41.55 H new ATOM 0 HG3 PRO A 76 23.620 23.143 19.645 1.00 41.55 H new ATOM 0 HD2 PRO A 76 24.635 24.643 17.643 1.00 65.15 H new ATOM 0 HD3 PRO A 76 24.456 22.909 17.454 1.00 65.15 H new ATOM 1184 N GLU A 77 20.942 25.987 17.133 1.00 41.22 N ATOM 1185 CA GLU A 77 20.030 27.121 17.056 1.00 22.44 C ATOM 1186 C GLU A 77 19.495 27.291 15.634 1.00 43.15 C ATOM 1187 O GLU A 77 18.328 27.640 15.441 1.00 12.42 O ATOM 1188 CB GLU A 77 20.707 28.397 17.550 1.00 61.33 C ATOM 1189 CG GLU A 77 21.901 28.805 16.723 1.00 22.41 C ATOM 1190 CD GLU A 77 22.716 29.898 17.379 1.00 43.51 C ATOM 1191 OE1 GLU A 77 22.194 31.018 17.547 1.00 23.01 O ATOM 1192 OE2 GLU A 77 23.879 29.633 17.746 1.00 3.44 O ATOM 0 H GLU A 77 21.919 26.236 17.288 1.00 41.22 H new ATOM 0 HA GLU A 77 19.181 26.922 17.710 1.00 22.44 H new ATOM 0 HB2 GLU A 77 19.980 29.209 17.548 1.00 61.33 H new ATOM 0 HB3 GLU A 77 21.023 28.254 18.583 1.00 61.33 H new ATOM 0 HG2 GLU A 77 22.536 27.935 16.554 1.00 22.41 H new ATOM 0 HG3 GLU A 77 21.562 29.147 15.745 1.00 22.41 H new ATOM 1199 N ASP A 78 20.339 27.017 14.643 1.00 64.10 N ATOM 1200 CA ASP A 78 19.910 27.038 13.249 1.00 20.24 C ATOM 1201 C ASP A 78 19.004 25.848 12.982 1.00 23.41 C ATOM 1202 O ASP A 78 18.008 25.957 12.266 1.00 70.25 O ATOM 1203 CB ASP A 78 21.104 26.997 12.290 1.00 74.32 C ATOM 1204 CG ASP A 78 22.026 28.190 12.438 1.00 33.44 C ATOM 1205 OD1 ASP A 78 22.940 28.128 13.282 1.00 54.10 O ATOM 1206 OD2 ASP A 78 21.855 29.186 11.707 1.00 35.31 O ATOM 0 H ASP A 78 21.321 26.778 14.779 1.00 64.10 H new ATOM 0 HA ASP A 78 19.371 27.969 13.075 1.00 20.24 H new ATOM 0 HB2 ASP A 78 21.671 26.083 12.465 1.00 74.32 H new ATOM 0 HB3 ASP A 78 20.737 26.954 11.264 1.00 74.32 H new ATOM 1211 N VAL A 79 19.357 24.705 13.572 1.00 70.42 N ATOM 1212 CA VAL A 79 18.532 23.504 13.465 1.00 65.40 C ATOM 1213 C VAL A 79 17.111 23.774 13.965 1.00 5.45 C ATOM 1214 O VAL A 79 16.134 23.342 13.354 1.00 24.20 O ATOM 1215 CB VAL A 79 19.146 22.320 14.251 1.00 45.54 C ATOM 1216 CG1 VAL A 79 18.268 21.079 14.150 1.00 25.41 C ATOM 1217 CG2 VAL A 79 20.549 22.014 13.746 1.00 2.33 C ATOM 0 H VAL A 79 20.205 24.587 14.126 1.00 70.42 H new ATOM 0 HA VAL A 79 18.494 23.232 12.410 1.00 65.40 H new ATOM 0 HB VAL A 79 19.205 22.610 15.300 1.00 45.54 H new ATOM 0 HG11 VAL A 79 18.724 20.264 14.712 1.00 25.41 H new ATOM 0 HG12 VAL A 79 17.282 21.296 14.562 1.00 25.41 H new ATOM 0 HG13 VAL A 79 18.168 20.788 13.104 1.00 25.41 H new ATOM 0 HG21 VAL A 79 20.965 21.179 14.310 1.00 2.33 H new ATOM 0 HG22 VAL A 79 20.506 21.752 12.689 1.00 2.33 H new ATOM 0 HG23 VAL A 79 21.182 22.891 13.877 1.00 2.33 H new ATOM 1227 N GLU A 80 17.002 24.508 15.066 1.00 62.32 N ATOM 1228 CA GLU A 80 15.703 24.874 15.612 1.00 15.51 C ATOM 1229 C GLU A 80 14.929 25.741 14.614 1.00 42.51 C ATOM 1230 O GLU A 80 13.725 25.555 14.412 1.00 73.11 O ATOM 1231 CB GLU A 80 15.878 25.618 16.936 1.00 72.14 C ATOM 1232 CG GLU A 80 14.567 25.921 17.634 1.00 41.52 C ATOM 1233 CD GLU A 80 14.746 26.755 18.881 1.00 51.12 C ATOM 1234 OE1 GLU A 80 14.949 27.978 18.751 1.00 11.14 O ATOM 1235 OE2 GLU A 80 14.674 26.192 19.995 1.00 23.22 O ATOM 0 H GLU A 80 17.798 24.861 15.597 1.00 62.32 H new ATOM 0 HA GLU A 80 15.133 23.963 15.794 1.00 15.51 H new ATOM 0 HB2 GLU A 80 16.505 25.022 17.599 1.00 72.14 H new ATOM 0 HB3 GLU A 80 16.408 26.553 16.752 1.00 72.14 H new ATOM 0 HG2 GLU A 80 13.906 26.445 16.944 1.00 41.52 H new ATOM 0 HG3 GLU A 80 14.076 24.984 17.897 1.00 41.52 H new ATOM 1242 N ARG A 81 15.645 26.671 13.983 1.00 50.40 N ATOM 1243 CA ARG A 81 15.065 27.562 12.979 1.00 73.35 C ATOM 1244 C ARG A 81 14.431 26.770 11.841 1.00 24.52 C ATOM 1245 O ARG A 81 13.238 26.920 11.556 1.00 72.03 O ATOM 1246 CB ARG A 81 16.142 28.497 12.419 1.00 51.11 C ATOM 1247 CG ARG A 81 16.543 29.613 13.367 1.00 33.12 C ATOM 1248 CD ARG A 81 17.904 30.196 13.015 1.00 12.04 C ATOM 1249 NE ARG A 81 18.007 30.607 11.612 1.00 54.21 N ATOM 1250 CZ ARG A 81 18.466 31.796 11.221 1.00 1.12 C ATOM 1251 NH1 ARG A 81 18.694 32.755 12.111 1.00 25.34 N ATOM 1252 NH2 ARG A 81 18.666 32.040 9.937 1.00 65.00 N ATOM 0 H ARG A 81 16.639 26.828 14.152 1.00 50.40 H new ATOM 0 HA ARG A 81 14.287 28.152 13.463 1.00 73.35 H new ATOM 0 HB2 ARG A 81 17.026 27.909 12.171 1.00 51.11 H new ATOM 0 HB3 ARG A 81 15.780 28.936 11.489 1.00 51.11 H new ATOM 0 HG2 ARG A 81 15.792 30.402 13.337 1.00 33.12 H new ATOM 0 HG3 ARG A 81 16.565 29.232 14.388 1.00 33.12 H new ATOM 0 HD2 ARG A 81 18.101 31.056 13.655 1.00 12.04 H new ATOM 0 HD3 ARG A 81 18.676 29.457 13.229 1.00 12.04 H new ATOM 0 HE ARG A 81 17.711 29.946 10.894 1.00 54.21 H new ATOM 0 HH11 ARG A 81 18.518 32.584 13.101 1.00 25.34 H new ATOM 0 HH12 ARG A 81 19.045 33.662 11.804 1.00 25.34 H new ATOM 0 HH21 ARG A 81 18.469 31.318 9.244 1.00 65.00 H new ATOM 0 HH22 ARG A 81 19.017 32.950 9.640 1.00 65.00 H new ATOM 1266 N VAL A 82 15.228 25.915 11.209 1.00 32.54 N ATOM 1267 CA VAL A 82 14.754 25.122 10.082 1.00 71.44 C ATOM 1268 C VAL A 82 13.644 24.164 10.518 1.00 64.30 C ATOM 1269 O VAL A 82 12.703 23.906 9.768 1.00 33.50 O ATOM 1270 CB VAL A 82 15.908 24.328 9.414 1.00 10.34 C ATOM 1271 CG1 VAL A 82 16.436 23.228 10.322 1.00 44.34 C ATOM 1272 CG2 VAL A 82 15.464 23.750 8.082 1.00 23.43 C ATOM 0 H VAL A 82 16.204 25.754 11.458 1.00 32.54 H new ATOM 0 HA VAL A 82 14.352 25.818 9.346 1.00 71.44 H new ATOM 0 HB VAL A 82 16.723 25.029 9.236 1.00 10.34 H new ATOM 0 HG11 VAL A 82 17.243 22.696 9.818 1.00 44.34 H new ATOM 0 HG12 VAL A 82 16.813 23.668 11.245 1.00 44.34 H new ATOM 0 HG13 VAL A 82 15.631 22.531 10.555 1.00 44.34 H new ATOM 0 HG21 VAL A 82 16.289 23.198 7.632 1.00 23.43 H new ATOM 0 HG22 VAL A 82 14.621 23.078 8.240 1.00 23.43 H new ATOM 0 HG23 VAL A 82 15.163 24.559 7.416 1.00 23.43 H new ATOM 1282 N ARG A 83 13.750 23.662 11.744 1.00 12.43 N ATOM 1283 CA ARG A 83 12.761 22.745 12.288 1.00 22.25 C ATOM 1284 C ARG A 83 11.389 23.414 12.348 1.00 63.13 C ATOM 1285 O ARG A 83 10.398 22.858 11.879 1.00 31.24 O ATOM 1286 CB ARG A 83 13.194 22.292 13.685 1.00 63.22 C ATOM 1287 CG ARG A 83 12.326 21.207 14.298 1.00 61.31 C ATOM 1288 CD ARG A 83 12.787 20.887 15.709 1.00 74.43 C ATOM 1289 NE ARG A 83 12.081 19.747 16.290 1.00 41.44 N ATOM 1290 CZ ARG A 83 11.792 19.637 17.586 1.00 73.12 C ATOM 1291 NH1 ARG A 83 12.022 20.647 18.415 1.00 20.14 N ATOM 1292 NH2 ARG A 83 11.252 18.525 18.057 1.00 15.30 N ATOM 0 H ARG A 83 14.517 23.878 12.381 1.00 12.43 H new ATOM 0 HA ARG A 83 12.688 21.874 11.637 1.00 22.25 H new ATOM 0 HB2 ARG A 83 14.221 21.930 13.633 1.00 63.22 H new ATOM 0 HB3 ARG A 83 13.194 23.157 14.349 1.00 63.22 H new ATOM 0 HG2 ARG A 83 11.286 21.532 14.314 1.00 61.31 H new ATOM 0 HG3 ARG A 83 12.369 20.308 13.683 1.00 61.31 H new ATOM 0 HD2 ARG A 83 13.857 20.679 15.698 1.00 74.43 H new ATOM 0 HD3 ARG A 83 12.638 21.762 16.342 1.00 74.43 H new ATOM 0 HE ARG A 83 11.793 18.992 15.668 1.00 41.44 H new ATOM 0 HH11 ARG A 83 12.423 21.516 18.062 1.00 20.14 H new ATOM 0 HH12 ARG A 83 11.798 20.555 19.406 1.00 20.14 H new ATOM 0 HH21 ARG A 83 11.055 17.747 17.427 1.00 15.30 H new ATOM 0 HH22 ARG A 83 11.033 18.445 19.050 1.00 15.30 H new ATOM 1306 N ALA A 84 11.347 24.619 12.907 1.00 12.14 N ATOM 1307 CA ALA A 84 10.100 25.366 13.022 1.00 60.24 C ATOM 1308 C ALA A 84 9.573 25.767 11.645 1.00 70.42 C ATOM 1309 O ALA A 84 8.373 25.683 11.379 1.00 23.24 O ATOM 1310 CB ALA A 84 10.301 26.594 13.898 1.00 63.52 C ATOM 0 H ALA A 84 12.163 25.099 13.288 1.00 12.14 H new ATOM 0 HA ALA A 84 9.356 24.721 13.490 1.00 60.24 H new ATOM 0 HB1 ALA A 84 9.363 27.143 13.976 1.00 63.52 H new ATOM 0 HB2 ALA A 84 10.623 26.283 14.892 1.00 63.52 H new ATOM 0 HB3 ALA A 84 11.062 27.237 13.455 1.00 63.52 H new ATOM 1316 N ARG A 85 10.485 26.188 10.776 1.00 4.11 N ATOM 1317 CA ARG A 85 10.141 26.609 9.421 1.00 74.14 C ATOM 1318 C ARG A 85 9.530 25.460 8.616 1.00 31.20 C ATOM 1319 O ARG A 85 8.464 25.607 8.017 1.00 12.24 O ATOM 1320 CB ARG A 85 11.398 27.132 8.715 1.00 14.31 C ATOM 1321 CG ARG A 85 11.209 27.481 7.243 1.00 15.44 C ATOM 1322 CD ARG A 85 10.595 28.862 7.037 1.00 12.24 C ATOM 1323 NE ARG A 85 9.193 28.941 7.452 1.00 30.11 N ATOM 1324 CZ ARG A 85 8.161 28.748 6.627 1.00 74.23 C ATOM 1325 NH1 ARG A 85 8.372 28.370 5.370 1.00 74.02 N ATOM 1326 NH2 ARG A 85 6.916 28.920 7.060 1.00 62.23 N ATOM 0 H ARG A 85 11.481 26.247 10.989 1.00 4.11 H new ATOM 0 HA ARG A 85 9.396 27.402 9.487 1.00 74.14 H new ATOM 0 HB2 ARG A 85 11.750 28.019 9.241 1.00 14.31 H new ATOM 0 HB3 ARG A 85 12.183 26.380 8.797 1.00 14.31 H new ATOM 0 HG2 ARG A 85 12.174 27.438 6.737 1.00 15.44 H new ATOM 0 HG3 ARG A 85 10.571 26.731 6.776 1.00 15.44 H new ATOM 0 HD2 ARG A 85 11.174 29.596 7.597 1.00 12.24 H new ATOM 0 HD3 ARG A 85 10.671 29.132 5.984 1.00 12.24 H new ATOM 0 HE ARG A 85 8.993 29.156 8.429 1.00 30.11 H new ATOM 0 HH11 ARG A 85 9.324 28.227 5.034 1.00 74.02 H new ATOM 0 HH12 ARG A 85 7.582 28.223 4.742 1.00 74.02 H new ATOM 0 HH21 ARG A 85 6.746 29.201 8.026 1.00 62.23 H new ATOM 0 HH22 ARG A 85 6.131 28.772 6.426 1.00 62.23 H new ATOM 1340 N LEU A 86 10.201 24.316 8.620 1.00 63.41 N ATOM 1341 CA LEU A 86 9.799 23.180 7.793 1.00 3.23 C ATOM 1342 C LEU A 86 8.585 22.455 8.362 1.00 51.33 C ATOM 1343 O LEU A 86 7.858 21.783 7.623 1.00 11.12 O ATOM 1344 CB LEU A 86 10.965 22.201 7.629 1.00 64.25 C ATOM 1345 CG LEU A 86 11.943 22.512 6.486 1.00 51.31 C ATOM 1346 CD1 LEU A 86 11.287 22.266 5.138 1.00 63.43 C ATOM 1347 CD2 LEU A 86 12.444 23.944 6.561 1.00 3.31 C ATOM 0 H LEU A 86 11.031 24.147 9.189 1.00 63.41 H new ATOM 0 HA LEU A 86 9.518 23.576 6.817 1.00 3.23 H new ATOM 0 HB2 LEU A 86 11.525 22.173 8.564 1.00 64.25 H new ATOM 0 HB3 LEU A 86 10.557 21.203 7.471 1.00 64.25 H new ATOM 0 HG LEU A 86 12.797 21.843 6.595 1.00 51.31 H new ATOM 0 HD11 LEU A 86 11.996 22.492 4.342 1.00 63.43 H new ATOM 0 HD12 LEU A 86 10.982 21.222 5.067 1.00 63.43 H new ATOM 0 HD13 LEU A 86 10.411 22.907 5.037 1.00 63.43 H new ATOM 0 HD21 LEU A 86 13.134 24.132 5.738 1.00 3.31 H new ATOM 0 HD22 LEU A 86 11.599 24.629 6.490 1.00 3.31 H new ATOM 0 HD23 LEU A 86 12.959 24.100 7.509 1.00 3.31 H new ATOM 1359 N ALA A 87 8.354 22.606 9.663 1.00 64.31 N ATOM 1360 CA ALA A 87 7.229 21.950 10.326 1.00 55.30 C ATOM 1361 C ALA A 87 5.894 22.450 9.786 1.00 40.51 C ATOM 1362 O ALA A 87 4.891 21.735 9.818 1.00 60.31 O ATOM 1363 CB ALA A 87 7.300 22.168 11.831 1.00 2.20 C ATOM 0 H ALA A 87 8.931 23.177 10.280 1.00 64.31 H new ATOM 0 HA ALA A 87 7.298 20.883 10.116 1.00 55.30 H new ATOM 0 HB1 ALA A 87 6.455 21.673 12.311 1.00 2.20 H new ATOM 0 HB2 ALA A 87 8.231 21.751 12.216 1.00 2.20 H new ATOM 0 HB3 ALA A 87 7.265 23.236 12.046 1.00 2.20 H new ATOM 1369 N ALA A 88 5.892 23.674 9.269 1.00 12.20 N ATOM 1370 CA ALA A 88 4.674 24.296 8.760 1.00 35.54 C ATOM 1371 C ALA A 88 4.186 23.619 7.479 1.00 70.35 C ATOM 1372 O ALA A 88 3.027 23.767 7.093 1.00 34.21 O ATOM 1373 CB ALA A 88 4.906 25.779 8.517 1.00 1.20 C ATOM 0 H ALA A 88 6.725 24.258 9.191 1.00 12.20 H new ATOM 0 HA ALA A 88 3.897 24.172 9.515 1.00 35.54 H new ATOM 0 HB1 ALA A 88 3.991 26.233 8.137 1.00 1.20 H new ATOM 0 HB2 ALA A 88 5.189 26.261 9.453 1.00 1.20 H new ATOM 0 HB3 ALA A 88 5.705 25.907 7.787 1.00 1.20 H new ATOM 1379 N GLN A 89 5.069 22.867 6.832 1.00 43.22 N ATOM 1380 CA GLN A 89 4.730 22.205 5.577 1.00 34.15 C ATOM 1381 C GLN A 89 4.325 20.749 5.805 1.00 43.51 C ATOM 1382 O GLN A 89 4.200 19.976 4.854 1.00 25.11 O ATOM 1383 CB GLN A 89 5.896 22.275 4.580 1.00 71.20 C ATOM 1384 CG GLN A 89 6.089 23.644 3.932 1.00 64.44 C ATOM 1385 CD GLN A 89 6.624 24.708 4.876 1.00 71.20 C ATOM 1386 OE1 GLN A 89 6.287 25.882 4.753 1.00 75.44 O ATOM 1387 NE2 GLN A 89 7.486 24.315 5.801 1.00 62.23 N ATOM 0 H GLN A 89 6.022 22.701 7.154 1.00 43.22 H new ATOM 0 HA GLN A 89 3.878 22.737 5.154 1.00 34.15 H new ATOM 0 HB2 GLN A 89 6.816 21.997 5.095 1.00 71.20 H new ATOM 0 HB3 GLN A 89 5.733 21.535 3.796 1.00 71.20 H new ATOM 0 HG2 GLN A 89 6.774 23.542 3.091 1.00 64.44 H new ATOM 0 HG3 GLN A 89 5.135 23.980 3.527 1.00 64.44 H new ATOM 0 HE21 GLN A 89 7.743 23.330 5.874 1.00 62.23 H new ATOM 0 HE22 GLN A 89 7.893 24.997 6.441 1.00 62.23 H new ATOM 1396 N GLY A 90 4.127 20.374 7.064 1.00 41.15 N ATOM 1397 CA GLY A 90 3.641 19.039 7.368 1.00 31.11 C ATOM 1398 C GLY A 90 4.622 18.225 8.188 1.00 31.14 C ATOM 1399 O GLY A 90 4.242 17.631 9.197 1.00 41.14 O ATOM 0 H GLY A 90 4.293 20.967 7.877 1.00 41.15 H new ATOM 0 HA2 GLY A 90 2.699 19.116 7.910 1.00 31.11 H new ATOM 0 HA3 GLY A 90 3.431 18.514 6.436 1.00 31.11 H new ATOM 1403 N TRP A 91 5.880 18.202 7.744 1.00 1.05 N ATOM 1404 CA TRP A 91 6.946 17.457 8.420 1.00 21.13 C ATOM 1405 C TRP A 91 6.719 15.944 8.287 1.00 24.15 C ATOM 1406 O TRP A 91 6.105 15.313 9.148 1.00 54.32 O ATOM 1407 CB TRP A 91 7.037 17.872 9.896 1.00 54.31 C ATOM 1408 CG TRP A 91 8.307 17.462 10.576 1.00 20.42 C ATOM 1409 CD1 TRP A 91 8.551 16.290 11.229 1.00 65.12 C ATOM 1410 CD2 TRP A 91 9.502 18.240 10.685 1.00 12.15 C ATOM 1411 NE1 TRP A 91 9.830 16.290 11.731 1.00 72.51 N ATOM 1412 CE2 TRP A 91 10.432 17.477 11.413 1.00 54.41 C ATOM 1413 CE3 TRP A 91 9.874 19.510 10.236 1.00 43.04 C ATOM 1414 CZ2 TRP A 91 11.711 17.944 11.702 1.00 22.23 C ATOM 1415 CZ3 TRP A 91 11.144 19.970 10.523 1.00 21.42 C ATOM 1416 CH2 TRP A 91 12.047 19.191 11.252 1.00 15.43 C ATOM 0 H TRP A 91 6.189 18.698 6.908 1.00 1.05 H new ATOM 0 HA TRP A 91 7.894 17.697 7.940 1.00 21.13 H new ATOM 0 HB2 TRP A 91 6.936 18.955 9.963 1.00 54.31 H new ATOM 0 HB3 TRP A 91 6.194 17.439 10.435 1.00 54.31 H new ATOM 0 HD1 TRP A 91 7.843 15.481 11.336 1.00 65.12 H new ATOM 0 HE1 TRP A 91 10.261 15.529 12.256 1.00 72.51 H new ATOM 0 HE3 TRP A 91 9.181 20.120 9.675 1.00 43.04 H new ATOM 0 HZ2 TRP A 91 12.413 17.343 12.261 1.00 22.23 H new ATOM 0 HZ3 TRP A 91 11.445 20.948 10.178 1.00 21.42 H new ATOM 0 HH2 TRP A 91 13.031 19.582 11.464 1.00 15.43 H new ATOM 1427 N PRO A 92 7.210 15.349 7.184 1.00 64.14 N ATOM 1428 CA PRO A 92 7.004 13.929 6.880 1.00 60.55 C ATOM 1429 C PRO A 92 8.028 13.006 7.551 1.00 0.42 C ATOM 1430 O PRO A 92 8.442 11.994 6.976 1.00 12.41 O ATOM 1431 CB PRO A 92 7.175 13.897 5.363 1.00 45.11 C ATOM 1432 CG PRO A 92 8.179 14.961 5.076 1.00 23.52 C ATOM 1433 CD PRO A 92 7.996 16.023 6.132 1.00 20.11 C ATOM 0 HA PRO A 92 6.042 13.568 7.244 1.00 60.55 H new ATOM 0 HB2 PRO A 92 7.523 12.921 5.024 1.00 45.11 H new ATOM 0 HB3 PRO A 92 6.232 14.094 4.853 1.00 45.11 H new ATOM 0 HG2 PRO A 92 9.191 14.557 5.104 1.00 23.52 H new ATOM 0 HG3 PRO A 92 8.030 15.376 4.079 1.00 23.52 H new ATOM 0 HD2 PRO A 92 8.954 16.376 6.514 1.00 20.11 H new ATOM 0 HD3 PRO A 92 7.471 16.893 5.737 1.00 20.11 H new ATOM 1441 N LEU A 93 8.428 13.347 8.768 1.00 21.21 N ATOM 1442 CA LEU A 93 9.361 12.515 9.524 1.00 44.02 C ATOM 1443 C LEU A 93 8.652 11.879 10.710 1.00 73.14 C ATOM 1444 O LEU A 93 8.408 10.673 10.734 1.00 62.40 O ATOM 1445 CB LEU A 93 10.567 13.325 10.025 1.00 23.12 C ATOM 1446 CG LEU A 93 11.555 13.803 8.955 1.00 64.11 C ATOM 1447 CD1 LEU A 93 10.984 14.964 8.156 1.00 64.22 C ATOM 1448 CD2 LEU A 93 12.875 14.201 9.597 1.00 63.12 C ATOM 0 H LEU A 93 8.124 14.191 9.254 1.00 21.21 H new ATOM 0 HA LEU A 93 9.727 11.739 8.851 1.00 44.02 H new ATOM 0 HB2 LEU A 93 10.194 14.198 10.561 1.00 23.12 H new ATOM 0 HB3 LEU A 93 11.112 12.717 10.747 1.00 23.12 H new ATOM 0 HG LEU A 93 11.731 12.977 8.266 1.00 64.11 H new ATOM 0 HD11 LEU A 93 11.708 15.280 7.405 1.00 64.22 H new ATOM 0 HD12 LEU A 93 10.064 14.649 7.663 1.00 64.22 H new ATOM 0 HD13 LEU A 93 10.769 15.796 8.826 1.00 64.22 H new ATOM 0 HD21 LEU A 93 13.568 14.538 8.826 1.00 63.12 H new ATOM 0 HD22 LEU A 93 12.704 15.008 10.310 1.00 63.12 H new ATOM 0 HD23 LEU A 93 13.301 13.342 10.116 1.00 63.12 H new ATOM 1460 N ASP A 94 8.316 12.711 11.683 1.00 75.24 N ATOM 1461 CA ASP A 94 7.646 12.265 12.895 1.00 4.40 C ATOM 1462 C ASP A 94 6.879 13.432 13.494 1.00 41.41 C ATOM 1463 O ASP A 94 7.357 14.566 13.466 1.00 14.45 O ATOM 1464 CB ASP A 94 8.668 11.716 13.900 1.00 63.34 C ATOM 1465 CG ASP A 94 8.034 11.276 15.206 1.00 62.41 C ATOM 1466 OD1 ASP A 94 7.229 10.316 15.191 1.00 43.30 O ATOM 1467 OD2 ASP A 94 8.351 11.873 16.257 1.00 74.41 O ATOM 0 H ASP A 94 8.500 13.714 11.655 1.00 75.24 H new ATOM 0 HA ASP A 94 6.950 11.462 12.653 1.00 4.40 H new ATOM 0 HB2 ASP A 94 9.191 10.871 13.453 1.00 63.34 H new ATOM 0 HB3 ASP A 94 9.416 12.482 14.105 1.00 63.34 H new ATOM 1472 N ASP A 95 5.686 13.164 14.005 1.00 73.02 N ATOM 1473 CA ASP A 95 4.839 14.218 14.555 1.00 2.34 C ATOM 1474 C ASP A 95 5.530 14.901 15.731 1.00 51.34 C ATOM 1475 O ASP A 95 6.313 14.279 16.448 1.00 12.12 O ATOM 1476 CB ASP A 95 3.486 13.657 14.986 1.00 41.44 C ATOM 1477 CG ASP A 95 2.505 14.753 15.338 1.00 74.21 C ATOM 1478 OD1 ASP A 95 2.013 15.430 14.407 1.00 54.30 O ATOM 1479 OD2 ASP A 95 2.232 14.954 16.536 1.00 34.21 O ATOM 0 H ASP A 95 5.281 12.229 14.051 1.00 73.02 H new ATOM 0 HA ASP A 95 4.669 14.959 13.774 1.00 2.34 H new ATOM 0 HB2 ASP A 95 3.074 13.046 14.183 1.00 41.44 H new ATOM 0 HB3 ASP A 95 3.622 13.002 15.847 1.00 41.44 H new ATOM 1484 N VAL A 96 5.243 16.178 15.929 1.00 71.32 N ATOM 1485 CA VAL A 96 5.975 16.969 16.901 1.00 22.53 C ATOM 1486 C VAL A 96 5.409 16.827 18.318 1.00 14.41 C ATOM 1487 O VAL A 96 4.424 17.465 18.691 1.00 35.44 O ATOM 1488 CB VAL A 96 6.050 18.462 16.484 1.00 52.40 C ATOM 1489 CG1 VAL A 96 4.668 19.034 16.193 1.00 14.32 C ATOM 1490 CG2 VAL A 96 6.766 19.287 17.545 1.00 21.21 C ATOM 0 H VAL A 96 4.512 16.686 15.431 1.00 71.32 H new ATOM 0 HA VAL A 96 6.989 16.570 16.918 1.00 22.53 H new ATOM 0 HB VAL A 96 6.628 18.515 15.561 1.00 52.40 H new ATOM 0 HG11 VAL A 96 4.761 20.081 15.904 1.00 14.32 H new ATOM 0 HG12 VAL A 96 4.206 18.473 15.381 1.00 14.32 H new ATOM 0 HG13 VAL A 96 4.047 18.958 17.086 1.00 14.32 H new ATOM 0 HG21 VAL A 96 6.806 20.330 17.230 1.00 21.21 H new ATOM 0 HG22 VAL A 96 6.226 19.214 18.489 1.00 21.21 H new ATOM 0 HG23 VAL A 96 7.780 18.909 17.677 1.00 21.21 H new ATOM 1500 N ARG A 97 6.023 15.937 19.081 1.00 41.12 N ATOM 1501 CA ARG A 97 5.791 15.844 20.515 1.00 64.31 C ATOM 1502 C ARG A 97 7.123 16.055 21.215 1.00 4.21 C ATOM 1503 O ARG A 97 7.918 15.124 21.376 1.00 42.12 O ATOM 1504 CB ARG A 97 5.164 14.497 20.895 1.00 63.00 C ATOM 1505 CG ARG A 97 3.749 14.326 20.362 1.00 70.22 C ATOM 1506 CD ARG A 97 2.822 15.394 20.922 1.00 74.05 C ATOM 1507 NE ARG A 97 1.530 15.433 20.233 1.00 74.14 N ATOM 1508 CZ ARG A 97 0.608 16.379 20.435 1.00 21.31 C ATOM 1509 NH1 ARG A 97 0.797 17.310 21.368 1.00 42.30 N ATOM 1510 NH2 ARG A 97 -0.510 16.383 19.720 1.00 4.22 N ATOM 0 H ARG A 97 6.696 15.259 18.725 1.00 41.12 H new ATOM 0 HA ARG A 97 5.081 16.609 20.828 1.00 64.31 H new ATOM 0 HB2 ARG A 97 5.790 13.691 20.512 1.00 63.00 H new ATOM 0 HB3 ARG A 97 5.151 14.402 21.981 1.00 63.00 H new ATOM 0 HG2 ARG A 97 3.758 14.381 19.273 1.00 70.22 H new ATOM 0 HG3 ARG A 97 3.373 13.338 20.628 1.00 70.22 H new ATOM 0 HD2 ARG A 97 2.658 15.208 21.984 1.00 74.05 H new ATOM 0 HD3 ARG A 97 3.304 16.368 20.839 1.00 74.05 H new ATOM 0 HE ARG A 97 1.322 14.695 19.560 1.00 74.14 H new ATOM 0 HH11 ARG A 97 1.647 17.303 21.931 1.00 42.30 H new ATOM 0 HH12 ARG A 97 0.091 18.031 21.520 1.00 42.30 H new ATOM 0 HH21 ARG A 97 -0.667 15.663 19.015 1.00 4.22 H new ATOM 0 HH22 ARG A 97 -1.212 17.106 19.876 1.00 4.22 H new ATOM 1524 N ASP A 98 7.372 17.297 21.597 1.00 14.21 N ATOM 1525 CA ASP A 98 8.713 17.726 21.953 1.00 30.32 C ATOM 1526 C ASP A 98 9.001 17.577 23.438 1.00 50.43 C ATOM 1527 O ASP A 98 8.228 18.011 24.293 1.00 33.41 O ATOM 1528 CB ASP A 98 8.928 19.177 21.527 1.00 32.43 C ATOM 1529 CG ASP A 98 10.385 19.582 21.581 1.00 72.12 C ATOM 1530 OD1 ASP A 98 11.143 19.187 20.674 1.00 23.42 O ATOM 1531 OD2 ASP A 98 10.779 20.292 22.526 1.00 71.52 O ATOM 0 H ASP A 98 6.662 18.026 21.668 1.00 14.21 H new ATOM 0 HA ASP A 98 9.407 17.074 21.423 1.00 30.32 H new ATOM 0 HB2 ASP A 98 8.552 19.315 20.513 1.00 32.43 H new ATOM 0 HB3 ASP A 98 8.347 19.833 22.175 1.00 32.43 H new ATOM 1536 N ARG A 99 10.130 16.951 23.722 1.00 40.24 N ATOM 1537 CA ARG A 99 10.643 16.826 25.077 1.00 32.23 C ATOM 1538 C ARG A 99 12.093 17.298 25.092 1.00 22.32 C ATOM 1539 O ARG A 99 12.531 17.996 26.008 1.00 1.10 O ATOM 1540 CB ARG A 99 10.531 15.375 25.593 1.00 64.42 C ATOM 1541 CG ARG A 99 11.372 14.355 24.829 1.00 3.52 C ATOM 1542 CD ARG A 99 10.805 14.058 23.450 1.00 23.24 C ATOM 1543 NE ARG A 99 11.825 13.534 22.546 1.00 64.52 N ATOM 1544 CZ ARG A 99 11.571 13.053 21.330 1.00 3.44 C ATOM 1545 NH1 ARG A 99 10.325 13.026 20.863 1.00 14.30 N ATOM 1546 NH2 ARG A 99 12.569 12.606 20.578 1.00 71.43 N ATOM 0 H ARG A 99 10.721 16.512 23.016 1.00 40.24 H new ATOM 0 HA ARG A 99 10.045 17.445 25.746 1.00 32.23 H new ATOM 0 HB2 ARG A 99 10.825 15.354 26.642 1.00 64.42 H new ATOM 0 HB3 ARG A 99 9.486 15.069 25.549 1.00 64.42 H new ATOM 0 HG2 ARG A 99 12.391 14.730 24.728 1.00 3.52 H new ATOM 0 HG3 ARG A 99 11.428 13.430 25.403 1.00 3.52 H new ATOM 0 HD2 ARG A 99 9.993 13.337 23.539 1.00 23.24 H new ATOM 0 HD3 ARG A 99 10.379 14.968 23.028 1.00 23.24 H new ATOM 0 HE ARG A 99 12.794 13.536 22.866 1.00 64.52 H new ATOM 0 HH11 ARG A 99 9.558 13.375 21.437 1.00 14.30 H new ATOM 0 HH12 ARG A 99 10.138 12.656 19.931 1.00 14.30 H new ATOM 0 HH21 ARG A 99 13.525 12.632 20.932 1.00 71.43 H new ATOM 0 HH22 ARG A 99 12.380 12.237 19.646 1.00 71.43 H new ATOM 1560 N GLU A 100 12.815 16.922 24.041 1.00 14.13 N ATOM 1561 CA GLU A 100 14.189 17.338 23.823 1.00 21.13 C ATOM 1562 C GLU A 100 14.594 16.972 22.404 1.00 70.42 C ATOM 1563 O GLU A 100 13.820 16.339 21.683 1.00 75.53 O ATOM 1564 CB GLU A 100 15.144 16.708 24.857 1.00 10.32 C ATOM 1565 CG GLU A 100 14.944 15.211 25.099 1.00 41.30 C ATOM 1566 CD GLU A 100 15.327 14.343 23.915 1.00 40.11 C ATOM 1567 OE1 GLU A 100 16.531 14.278 23.584 1.00 63.33 O ATOM 1568 OE2 GLU A 100 14.427 13.700 23.330 1.00 2.33 O ATOM 0 H GLU A 100 12.453 16.311 23.309 1.00 14.13 H new ATOM 0 HA GLU A 100 14.259 18.418 23.953 1.00 21.13 H new ATOM 0 HB2 GLU A 100 16.170 16.873 24.528 1.00 10.32 H new ATOM 0 HB3 GLU A 100 15.025 17.232 25.805 1.00 10.32 H new ATOM 0 HG2 GLU A 100 15.535 14.910 25.964 1.00 41.30 H new ATOM 0 HG3 GLU A 100 13.898 15.029 25.348 1.00 41.30 H new ATOM 1575 N GLU A 101 15.788 17.374 22.004 1.00 40.31 N ATOM 1576 CA GLU A 101 16.276 17.086 20.666 1.00 43.23 C ATOM 1577 C GLU A 101 17.749 16.727 20.686 1.00 61.40 C ATOM 1578 O GLU A 101 18.513 17.220 21.520 1.00 65.34 O ATOM 1579 CB GLU A 101 16.030 18.269 19.735 1.00 33.35 C ATOM 1580 CG GLU A 101 14.797 18.093 18.867 1.00 52.03 C ATOM 1581 CD GLU A 101 15.011 17.081 17.755 1.00 24.22 C ATOM 1582 OE1 GLU A 101 15.325 15.905 18.053 1.00 45.10 O ATOM 1583 OE2 GLU A 101 14.893 17.463 16.574 1.00 41.45 O ATOM 0 H GLU A 101 16.438 17.901 22.587 1.00 40.31 H new ATOM 0 HA GLU A 101 15.723 16.226 20.288 1.00 43.23 H new ATOM 0 HB2 GLU A 101 15.923 19.176 20.330 1.00 33.35 H new ATOM 0 HB3 GLU A 101 16.901 18.408 19.095 1.00 33.35 H new ATOM 0 HG2 GLU A 101 13.961 17.774 19.489 1.00 52.03 H new ATOM 0 HG3 GLU A 101 14.522 19.054 18.432 1.00 52.03 H new ATOM 1590 N HIS A 102 18.140 15.873 19.756 1.00 21.45 N ATOM 1591 CA HIS A 102 19.503 15.372 19.695 1.00 25.33 C ATOM 1592 C HIS A 102 20.404 16.340 18.947 1.00 50.12 C ATOM 1593 O HIS A 102 20.428 16.363 17.716 1.00 63.21 O ATOM 1594 CB HIS A 102 19.539 13.989 19.041 1.00 45.51 C ATOM 1595 CG HIS A 102 18.805 12.947 19.825 1.00 1.23 C ATOM 1596 ND1 HIS A 102 17.705 12.272 19.344 1.00 23.13 N ATOM 1597 CD2 HIS A 102 19.014 12.478 21.077 1.00 10.20 C ATOM 1598 CE1 HIS A 102 17.270 11.434 20.267 1.00 13.04 C ATOM 1599 NE2 HIS A 102 18.048 11.538 21.327 1.00 5.31 N ATOM 0 H HIS A 102 17.527 15.509 19.027 1.00 21.45 H new ATOM 0 HA HIS A 102 19.876 15.281 20.715 1.00 25.33 H new ATOM 0 HB2 HIS A 102 19.107 14.055 18.043 1.00 45.51 H new ATOM 0 HB3 HIS A 102 20.577 13.679 18.919 1.00 45.51 H new ATOM 0 HD2 HIS A 102 19.797 12.787 21.754 1.00 10.20 H new ATOM 0 HE1 HIS A 102 16.420 10.774 20.170 1.00 13.04 H new ATOM 0 HE2 HIS A 102 17.947 11.006 22.191 1.00 5.31 H new ATOM 1608 N ALA A 103 21.127 17.146 19.712 1.00 73.32 N ATOM 1609 CA ALA A 103 22.020 18.154 19.167 1.00 31.42 C ATOM 1610 C ALA A 103 22.937 18.670 20.265 1.00 64.31 C ATOM 1611 O ALA A 103 24.106 18.235 20.321 1.00 52.35 O ATOM 1612 CB ALA A 103 21.230 19.302 18.547 1.00 51.41 C ATOM 1613 OXT ALA A 103 22.469 19.472 21.099 1.00 0.00 O ATOM 0 H ALA A 103 21.109 17.118 20.731 1.00 73.32 H new ATOM 0 HA ALA A 103 22.623 17.701 18.380 1.00 31.42 H new ATOM 0 HB1 ALA A 103 21.920 20.044 18.146 1.00 51.41 H new ATOM 0 HB2 ALA A 103 20.602 18.919 17.743 1.00 51.41 H new ATOM 0 HB3 ALA A 103 20.602 19.765 19.309 1.00 51.41 H new TER 1619 ALA A 103