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+ -109:sc= 0.0931 (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) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 81:sc= 1.15 USER MOD Single : A 10 SER OG : rot 71:sc= 1.23 USER MOD Single : A 19 TYR OH : rot -113:sc= 1.07 USER MOD Single : A 26 THR OG1 : rot 83:sc= 0.936 USER MOD Single : A 28 SER OG : rot 54:sc= 0.606 USER MOD Single : A 36 CYS SG : rot -25:sc= 0.0151 USER MOD Single : A 40 SER OG : rot 86:sc= 0.0288 USER MOD Single : A 41 HIS : no HE2:sc= 0.394 K(o=0.39,f=-2.3!) USER MOD Single : A 45 LYS NZ :NH3+ -130:sc= -0.986 (180deg=-2.47!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 52 MET CE :methyl -168:sc= -1.53 (180deg=-1.95!) USER MOD Single : A 59 GLN : amide:sc= 0.105 K(o=0.11,f=-4.7!) USER MOD Single : A 67 THR OG1 : rot -96:sc= 1.29 USER MOD Single : A 68 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.0042) USER MOD Single : A 70 THR OG1 : rot 16:sc= 1.15 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.42) USER MOD Single : A 102 HIS : no HD1:sc= -0.0315 X(o=-0.032,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.315 4.070 1.892 1.00 23.41 N ATOM 2 CA GLY A 1 1.744 3.733 1.691 1.00 73.53 C ATOM 3 C GLY A 1 2.409 4.684 0.722 1.00 72.31 C ATOM 4 O GLY A 1 1.728 5.442 0.032 1.00 14.41 O ATOM 0 H1 GLY A 1 0.181 4.461 2.846 1.00 23.41 H new ATOM 0 H2 GLY A 1 0.022 4.774 1.185 1.00 23.41 H new ATOM 0 H3 GLY A 1 -0.262 3.212 1.786 1.00 23.41 H new ATOM 0 HA2 GLY A 1 2.264 3.765 2.648 1.00 73.53 H new ATOM 0 HA3 GLY A 1 1.829 2.713 1.317 1.00 73.53 H new ATOM 10 N SER A 2 3.732 4.653 0.660 1.00 3.14 N ATOM 11 CA SER A 2 4.471 5.567 -0.201 1.00 5.32 C ATOM 12 C SER A 2 5.500 4.823 -1.051 1.00 72.52 C ATOM 13 O SER A 2 5.857 3.683 -0.753 1.00 22.34 O ATOM 14 CB SER A 2 5.165 6.635 0.649 1.00 20.22 C ATOM 15 OG SER A 2 4.222 7.365 1.419 1.00 30.24 O ATOM 0 H SER A 2 4.315 4.008 1.193 1.00 3.14 H new ATOM 0 HA SER A 2 3.761 6.044 -0.877 1.00 5.32 H new ATOM 0 HB2 SER A 2 5.892 6.163 1.310 1.00 20.22 H new ATOM 0 HB3 SER A 2 5.718 7.317 0.003 1.00 20.22 H new ATOM 0 HG SER A 2 4.689 8.040 1.955 1.00 30.24 H new ATOM 21 N HIS A 3 5.953 5.466 -2.123 1.00 74.30 N ATOM 22 CA HIS A 3 7.001 4.906 -2.973 1.00 71.34 C ATOM 23 C HIS A 3 8.137 5.908 -3.146 1.00 55.41 C ATOM 24 O HIS A 3 7.935 7.115 -3.005 1.00 61.04 O ATOM 25 CB HIS A 3 6.449 4.487 -4.339 1.00 10.31 C ATOM 26 CG HIS A 3 5.632 3.232 -4.301 1.00 15.43 C ATOM 27 ND1 HIS A 3 6.185 1.970 -4.239 1.00 31.20 N ATOM 28 CD2 HIS A 3 4.291 3.048 -4.324 1.00 75.30 C ATOM 29 CE1 HIS A 3 5.223 1.070 -4.226 1.00 4.51 C ATOM 30 NE2 HIS A 3 4.064 1.695 -4.275 1.00 64.22 N ATOM 0 H HIS A 3 5.610 6.378 -2.425 1.00 74.30 H new ATOM 0 HA HIS A 3 7.388 4.014 -2.480 1.00 71.34 H new ATOM 0 HB2 HIS A 3 5.837 5.296 -4.737 1.00 10.31 H new ATOM 0 HB3 HIS A 3 7.281 4.347 -5.029 1.00 10.31 H new ATOM 0 HD2 HIS A 3 3.539 3.822 -4.372 1.00 75.30 H new ATOM 0 HE1 HIS A 3 5.361 -0.000 -4.182 1.00 4.51 H new ATOM 0 HE2 HIS A 3 3.148 1.247 -4.276 1.00 64.22 H new ATOM 39 N MET A 4 9.322 5.395 -3.470 1.00 24.22 N ATOM 40 CA MET A 4 10.552 6.187 -3.484 1.00 74.34 C ATOM 41 C MET A 4 10.476 7.399 -4.410 1.00 53.14 C ATOM 42 O MET A 4 10.791 8.515 -3.992 1.00 34.52 O ATOM 43 CB MET A 4 11.748 5.311 -3.881 1.00 33.23 C ATOM 44 CG MET A 4 12.124 4.259 -2.843 1.00 44.04 C ATOM 45 SD MET A 4 10.841 3.015 -2.599 1.00 70.34 S ATOM 46 CE MET A 4 11.582 2.004 -1.324 1.00 13.33 C ATOM 0 H MET A 4 9.458 4.418 -3.730 1.00 24.22 H new ATOM 0 HA MET A 4 10.684 6.565 -2.470 1.00 74.34 H new ATOM 0 HB2 MET A 4 11.521 4.811 -4.823 1.00 33.23 H new ATOM 0 HB3 MET A 4 12.611 5.953 -4.060 1.00 33.23 H new ATOM 0 HG2 MET A 4 13.046 3.766 -3.152 1.00 44.04 H new ATOM 0 HG3 MET A 4 12.329 4.752 -1.893 1.00 44.04 H new ATOM 0 HE1 MET A 4 10.905 1.190 -1.066 1.00 13.33 H new ATOM 0 HE2 MET A 4 12.523 1.592 -1.688 1.00 13.33 H new ATOM 0 HE3 MET A 4 11.770 2.613 -0.440 1.00 13.33 H new ATOM 56 N ASN A 5 10.052 7.194 -5.653 1.00 22.52 N ATOM 57 CA ASN A 5 10.057 8.271 -6.644 1.00 73.11 C ATOM 58 C ASN A 5 9.150 9.418 -6.215 1.00 10.31 C ATOM 59 O ASN A 5 9.507 10.592 -6.353 1.00 10.11 O ATOM 60 CB ASN A 5 9.643 7.747 -8.024 1.00 53.32 C ATOM 61 CG ASN A 5 9.758 8.808 -9.107 1.00 53.24 C ATOM 62 OD1 ASN A 5 10.830 9.022 -9.671 1.00 40.34 O ATOM 63 ND2 ASN A 5 8.648 9.453 -9.432 1.00 4.12 N ATOM 0 H ASN A 5 9.703 6.300 -5.999 1.00 22.52 H new ATOM 0 HA ASN A 5 11.076 8.652 -6.713 1.00 73.11 H new ATOM 0 HB2 ASN A 5 10.268 6.894 -8.288 1.00 53.32 H new ATOM 0 HB3 ASN A 5 8.615 7.388 -7.979 1.00 53.32 H new ATOM 0 HD21 ASN A 5 8.664 10.154 -10.173 1.00 4.12 H new ATOM 0 HD22 ASN A 5 7.777 9.249 -8.942 1.00 4.12 H new ATOM 70 N ARG A 6 7.986 9.082 -5.671 1.00 70.34 N ATOM 71 CA ARG A 6 7.066 10.098 -5.176 1.00 45.50 C ATOM 72 C ARG A 6 7.619 10.761 -3.924 1.00 22.34 C ATOM 73 O ARG A 6 7.529 11.980 -3.769 1.00 1.32 O ATOM 74 CB ARG A 6 5.690 9.511 -4.872 1.00 34.52 C ATOM 75 CG ARG A 6 4.843 9.253 -6.102 1.00 35.22 C ATOM 76 CD ARG A 6 3.394 8.999 -5.723 1.00 55.24 C ATOM 77 NE ARG A 6 2.866 10.063 -4.867 1.00 65.22 N ATOM 78 CZ ARG A 6 1.842 10.850 -5.192 1.00 12.53 C ATOM 79 NH1 ARG A 6 1.240 10.718 -6.367 1.00 43.31 N ATOM 80 NH2 ARG A 6 1.430 11.779 -4.339 1.00 11.12 N ATOM 0 H ARG A 6 7.659 8.122 -5.562 1.00 70.34 H new ATOM 0 HA ARG A 6 6.958 10.843 -5.964 1.00 45.50 H new ATOM 0 HB2 ARG A 6 5.818 8.575 -4.329 1.00 34.52 H new ATOM 0 HB3 ARG A 6 5.154 10.192 -4.211 1.00 34.52 H new ATOM 0 HG2 ARG A 6 4.902 10.109 -6.774 1.00 35.22 H new ATOM 0 HG3 ARG A 6 5.236 8.394 -6.645 1.00 35.22 H new ATOM 0 HD2 ARG A 6 2.789 8.924 -6.626 1.00 55.24 H new ATOM 0 HD3 ARG A 6 3.315 8.043 -5.206 1.00 55.24 H new ATOM 0 HE ARG A 6 3.312 10.211 -3.962 1.00 65.22 H new ATOM 0 HH11 ARG A 6 1.561 10.010 -7.028 1.00 43.31 H new ATOM 0 HH12 ARG A 6 0.456 11.324 -6.609 1.00 43.31 H new ATOM 0 HH21 ARG A 6 1.897 11.888 -3.439 1.00 11.12 H new ATOM 0 HH22 ARG A 6 0.646 12.384 -4.583 1.00 11.12 H new ATOM 94 N PHE A 7 8.192 9.955 -3.041 1.00 61.03 N ATOM 95 CA PHE A 7 8.729 10.449 -1.779 1.00 54.10 C ATOM 96 C PHE A 7 9.838 11.466 -2.025 1.00 14.21 C ATOM 97 O PHE A 7 9.819 12.556 -1.462 1.00 1.24 O ATOM 98 CB PHE A 7 9.251 9.284 -0.932 1.00 72.25 C ATOM 99 CG PHE A 7 9.674 9.680 0.457 1.00 31.43 C ATOM 100 CD1 PHE A 7 8.728 9.968 1.426 1.00 52.24 C ATOM 101 CD2 PHE A 7 11.017 9.770 0.791 1.00 4.00 C ATOM 102 CE1 PHE A 7 9.110 10.333 2.703 1.00 13.43 C ATOM 103 CE2 PHE A 7 11.405 10.135 2.066 1.00 61.21 C ATOM 104 CZ PHE A 7 10.450 10.417 3.024 1.00 73.30 C ATOM 0 H PHE A 7 8.298 8.950 -3.176 1.00 61.03 H new ATOM 0 HA PHE A 7 7.926 10.945 -1.235 1.00 54.10 H new ATOM 0 HB2 PHE A 7 8.474 8.523 -0.861 1.00 72.25 H new ATOM 0 HB3 PHE A 7 10.099 8.828 -1.443 1.00 72.25 H new ATOM 0 HD1 PHE A 7 7.678 9.907 1.181 1.00 52.24 H new ATOM 0 HD2 PHE A 7 11.768 9.552 0.046 1.00 4.00 H new ATOM 0 HE1 PHE A 7 8.361 10.552 3.449 1.00 13.43 H new ATOM 0 HE2 PHE A 7 12.454 10.200 2.314 1.00 61.21 H new ATOM 0 HZ PHE A 7 10.751 10.702 4.021 1.00 73.30 H new ATOM 114 N LEU A 8 10.787 11.114 -2.887 1.00 52.30 N ATOM 115 CA LEU A 8 11.900 12.002 -3.206 1.00 12.42 C ATOM 116 C LEU A 8 11.394 13.314 -3.801 1.00 4.34 C ATOM 117 O LEU A 8 11.850 14.393 -3.425 1.00 54.30 O ATOM 118 CB LEU A 8 12.869 11.325 -4.177 1.00 73.45 C ATOM 119 CG LEU A 8 13.557 10.068 -3.642 1.00 4.01 C ATOM 120 CD1 LEU A 8 14.441 9.451 -4.712 1.00 63.33 C ATOM 121 CD2 LEU A 8 14.372 10.392 -2.397 1.00 0.01 C ATOM 0 H LEU A 8 10.808 10.220 -3.377 1.00 52.30 H new ATOM 0 HA LEU A 8 12.430 12.223 -2.279 1.00 12.42 H new ATOM 0 HB2 LEU A 8 12.325 11.063 -5.084 1.00 73.45 H new ATOM 0 HB3 LEU A 8 13.635 12.046 -4.462 1.00 73.45 H new ATOM 0 HG LEU A 8 12.789 9.345 -3.369 1.00 4.01 H new ATOM 0 HD11 LEU A 8 14.923 8.558 -4.315 1.00 63.33 H new ATOM 0 HD12 LEU A 8 13.833 9.182 -5.576 1.00 63.33 H new ATOM 0 HD13 LEU A 8 15.202 10.170 -5.014 1.00 63.33 H new ATOM 0 HD21 LEU A 8 14.854 9.485 -2.031 1.00 0.01 H new ATOM 0 HD22 LEU A 8 15.133 11.133 -2.643 1.00 0.01 H new ATOM 0 HD23 LEU A 8 13.714 10.790 -1.625 1.00 0.01 H new ATOM 133 N THR A 9 10.441 13.212 -4.719 1.00 50.43 N ATOM 134 CA THR A 9 9.841 14.391 -5.330 1.00 11.00 C ATOM 135 C THR A 9 9.136 15.243 -4.271 1.00 63.12 C ATOM 136 O THR A 9 9.223 16.473 -4.287 1.00 22.31 O ATOM 137 CB THR A 9 8.840 13.989 -6.433 1.00 3.51 C ATOM 138 OG1 THR A 9 9.502 13.167 -7.407 1.00 24.21 O ATOM 139 CG2 THR A 9 8.253 15.214 -7.121 1.00 32.31 C ATOM 0 H THR A 9 10.067 12.325 -5.057 1.00 50.43 H new ATOM 0 HA THR A 9 10.639 14.978 -5.783 1.00 11.00 H new ATOM 0 HB THR A 9 8.026 13.435 -5.966 1.00 3.51 H new ATOM 0 HG1 THR A 9 9.549 12.245 -7.079 1.00 24.21 H new ATOM 0 HG21 THR A 9 7.552 14.897 -7.893 1.00 32.31 H new ATOM 0 HG22 THR A 9 7.731 15.828 -6.387 1.00 32.31 H new ATOM 0 HG23 THR A 9 9.055 15.795 -7.576 1.00 32.31 H new ATOM 147 N SER A 10 8.469 14.575 -3.334 1.00 65.42 N ATOM 148 CA SER A 10 7.794 15.256 -2.238 1.00 14.20 C ATOM 149 C SER A 10 8.811 15.957 -1.340 1.00 60.34 C ATOM 150 O SER A 10 8.559 17.056 -0.854 1.00 33.45 O ATOM 151 CB SER A 10 6.958 14.262 -1.425 1.00 14.00 C ATOM 152 OG SER A 10 6.016 13.587 -2.248 1.00 11.13 O ATOM 0 H SER A 10 8.383 13.559 -3.314 1.00 65.42 H new ATOM 0 HA SER A 10 7.126 16.008 -2.657 1.00 14.20 H new ATOM 0 HB2 SER A 10 7.615 13.535 -0.949 1.00 14.00 H new ATOM 0 HB3 SER A 10 6.435 14.790 -0.627 1.00 14.00 H new ATOM 0 HG SER A 10 6.486 12.959 -2.836 1.00 11.13 H new ATOM 158 N ILE A 11 9.963 15.319 -1.136 1.00 41.21 N ATOM 159 CA ILE A 11 11.041 15.914 -0.352 1.00 43.24 C ATOM 160 C ILE A 11 11.525 17.206 -1.004 1.00 34.21 C ATOM 161 O ILE A 11 11.639 18.233 -0.340 1.00 51.11 O ATOM 162 CB ILE A 11 12.232 14.941 -0.186 1.00 63.44 C ATOM 163 CG1 ILE A 11 11.806 13.704 0.607 1.00 0.25 C ATOM 164 CG2 ILE A 11 13.412 15.627 0.492 1.00 53.04 C ATOM 165 CD1 ILE A 11 11.282 14.014 1.995 1.00 53.14 C ATOM 0 H ILE A 11 10.172 14.391 -1.503 1.00 41.21 H new ATOM 0 HA ILE A 11 10.639 16.133 0.637 1.00 43.24 H new ATOM 0 HB ILE A 11 12.550 14.627 -1.180 1.00 63.44 H new ATOM 0 HG12 ILE A 11 11.035 13.174 0.048 1.00 0.25 H new ATOM 0 HG13 ILE A 11 12.657 13.029 0.693 1.00 0.25 H new ATOM 0 HG21 ILE A 11 14.234 14.919 0.595 1.00 53.04 H new ATOM 0 HG22 ILE A 11 13.736 16.474 -0.112 1.00 53.04 H new ATOM 0 HG23 ILE A 11 13.110 15.979 1.478 1.00 53.04 H new ATOM 0 HD11 ILE A 11 11.001 13.086 2.493 1.00 53.14 H new ATOM 0 HD12 ILE A 11 12.058 14.516 2.573 1.00 53.14 H new ATOM 0 HD13 ILE A 11 10.410 14.663 1.918 1.00 53.14 H new ATOM 177 N VAL A 12 11.796 17.145 -2.307 1.00 21.55 N ATOM 178 CA VAL A 12 12.207 18.324 -3.068 1.00 14.34 C ATOM 179 C VAL A 12 11.191 19.452 -2.896 1.00 13.44 C ATOM 180 O VAL A 12 11.547 20.583 -2.538 1.00 43.23 O ATOM 181 CB VAL A 12 12.355 17.998 -4.574 1.00 35.21 C ATOM 182 CG1 VAL A 12 12.758 19.235 -5.360 1.00 52.52 C ATOM 183 CG2 VAL A 12 13.362 16.879 -4.787 1.00 24.24 C ATOM 0 H VAL A 12 11.738 16.289 -2.859 1.00 21.55 H new ATOM 0 HA VAL A 12 13.175 18.641 -2.681 1.00 14.34 H new ATOM 0 HB VAL A 12 11.386 17.662 -4.942 1.00 35.21 H new ATOM 0 HG11 VAL A 12 12.856 18.980 -6.415 1.00 52.52 H new ATOM 0 HG12 VAL A 12 11.996 20.005 -5.242 1.00 52.52 H new ATOM 0 HG13 VAL A 12 13.712 19.608 -4.987 1.00 52.52 H new ATOM 0 HG21 VAL A 12 13.450 16.667 -5.852 1.00 24.24 H new ATOM 0 HG22 VAL A 12 14.333 17.184 -4.396 1.00 24.24 H new ATOM 0 HG23 VAL A 12 13.026 15.983 -4.265 1.00 24.24 H new ATOM 193 N ALA A 13 9.924 19.123 -3.129 1.00 44.22 N ATOM 194 CA ALA A 13 8.838 20.080 -2.980 1.00 63.42 C ATOM 195 C ALA A 13 8.801 20.645 -1.565 1.00 5.15 C ATOM 196 O ALA A 13 8.663 21.851 -1.376 1.00 60.31 O ATOM 197 CB ALA A 13 7.507 19.429 -3.323 1.00 50.45 C ATOM 0 H ALA A 13 9.625 18.193 -3.424 1.00 44.22 H new ATOM 0 HA ALA A 13 9.014 20.904 -3.672 1.00 63.42 H new ATOM 0 HB1 ALA A 13 6.705 20.158 -3.207 1.00 50.45 H new ATOM 0 HB2 ALA A 13 7.530 19.076 -4.354 1.00 50.45 H new ATOM 0 HB3 ALA A 13 7.331 18.586 -2.655 1.00 50.45 H new ATOM 203 N TRP A 14 8.936 19.766 -0.580 1.00 34.42 N ATOM 204 CA TRP A 14 8.943 20.162 0.824 1.00 42.25 C ATOM 205 C TRP A 14 10.066 21.157 1.107 1.00 70.10 C ATOM 206 O TRP A 14 9.832 22.230 1.667 1.00 3.04 O ATOM 207 CB TRP A 14 9.093 18.919 1.708 1.00 32.24 C ATOM 208 CG TRP A 14 9.249 19.219 3.168 1.00 61.43 C ATOM 209 CD1 TRP A 14 8.488 20.068 3.914 1.00 2.33 C ATOM 210 CD2 TRP A 14 10.224 18.666 4.055 1.00 1.21 C ATOM 211 NE1 TRP A 14 8.925 20.075 5.215 1.00 52.34 N ATOM 212 CE2 TRP A 14 9.991 19.220 5.328 1.00 5.51 C ATOM 213 CE3 TRP A 14 11.269 17.750 3.900 1.00 11.11 C ATOM 214 CZ2 TRP A 14 10.770 18.897 6.435 1.00 42.32 C ATOM 215 CZ3 TRP A 14 12.041 17.428 4.999 1.00 1.43 C ATOM 216 CH2 TRP A 14 11.786 17.998 6.252 1.00 73.14 C ATOM 0 H TRP A 14 9.043 18.763 -0.730 1.00 34.42 H new ATOM 0 HA TRP A 14 7.997 20.654 1.053 1.00 42.25 H new ATOM 0 HB2 TRP A 14 8.219 18.282 1.571 1.00 32.24 H new ATOM 0 HB3 TRP A 14 9.959 18.350 1.371 1.00 32.24 H new ATOM 0 HD1 TRP A 14 7.661 20.651 3.536 1.00 2.33 H new ATOM 0 HE1 TRP A 14 8.523 20.626 5.973 1.00 52.34 H new ATOM 0 HE3 TRP A 14 11.469 17.302 2.938 1.00 11.11 H new ATOM 0 HZ2 TRP A 14 10.580 19.339 7.402 1.00 42.32 H new ATOM 0 HZ3 TRP A 14 12.854 16.726 4.890 1.00 1.43 H new ATOM 0 HH2 TRP A 14 12.405 17.722 7.093 1.00 73.14 H new ATOM 227 N LEU A 15 11.274 20.802 0.690 1.00 2.10 N ATOM 228 CA LEU A 15 12.448 21.620 0.960 1.00 34.45 C ATOM 229 C LEU A 15 12.307 23.009 0.359 1.00 0.13 C ATOM 230 O LEU A 15 12.526 24.012 1.041 1.00 34.54 O ATOM 231 CB LEU A 15 13.706 20.951 0.411 1.00 11.03 C ATOM 232 CG LEU A 15 13.970 19.542 0.935 1.00 31.04 C ATOM 233 CD1 LEU A 15 15.313 19.032 0.436 1.00 61.44 C ATOM 234 CD2 LEU A 15 13.909 19.518 2.455 1.00 64.45 C ATOM 0 H LEU A 15 11.466 19.951 0.162 1.00 2.10 H new ATOM 0 HA LEU A 15 12.534 21.719 2.042 1.00 34.45 H new ATOM 0 HB2 LEU A 15 13.632 20.910 -0.676 1.00 11.03 H new ATOM 0 HB3 LEU A 15 14.566 21.578 0.649 1.00 11.03 H new ATOM 0 HG LEU A 15 13.193 18.879 0.555 1.00 31.04 H new ATOM 0 HD11 LEU A 15 15.485 18.026 0.819 1.00 61.44 H new ATOM 0 HD12 LEU A 15 15.312 19.010 -0.654 1.00 61.44 H new ATOM 0 HD13 LEU A 15 16.106 19.694 0.785 1.00 61.44 H new ATOM 0 HD21 LEU A 15 14.100 18.506 2.811 1.00 64.45 H new ATOM 0 HD22 LEU A 15 14.663 20.193 2.860 1.00 64.45 H new ATOM 0 HD23 LEU A 15 12.921 19.838 2.785 1.00 64.45 H new ATOM 246 N ARG A 16 11.935 23.072 -0.915 1.00 2.41 N ATOM 247 CA ARG A 16 11.806 24.357 -1.586 1.00 31.15 C ATOM 248 C ARG A 16 10.610 25.138 -1.038 1.00 5.31 C ATOM 249 O ARG A 16 10.663 26.358 -0.922 1.00 11.03 O ATOM 250 CB ARG A 16 11.714 24.176 -3.107 1.00 12.41 C ATOM 251 CG ARG A 16 10.493 23.405 -3.584 1.00 75.42 C ATOM 252 CD ARG A 16 10.552 23.131 -5.079 1.00 13.34 C ATOM 253 NE ARG A 16 10.714 24.357 -5.862 1.00 41.44 N ATOM 254 CZ ARG A 16 10.172 24.560 -7.064 1.00 71.15 C ATOM 255 NH1 ARG A 16 9.492 23.589 -7.665 1.00 44.40 N ATOM 256 NH2 ARG A 16 10.342 25.728 -7.676 1.00 61.31 N ATOM 0 H ARG A 16 11.721 22.261 -1.495 1.00 2.41 H new ATOM 0 HA ARG A 16 12.703 24.941 -1.381 1.00 31.15 H new ATOM 0 HB2 ARG A 16 11.712 25.160 -3.576 1.00 12.41 H new ATOM 0 HB3 ARG A 16 12.610 23.660 -3.452 1.00 12.41 H new ATOM 0 HG2 ARG A 16 10.424 22.461 -3.043 1.00 75.42 H new ATOM 0 HG3 ARG A 16 9.591 23.972 -3.353 1.00 75.42 H new ATOM 0 HD2 ARG A 16 11.381 22.455 -5.290 1.00 13.34 H new ATOM 0 HD3 ARG A 16 9.639 22.622 -5.389 1.00 13.34 H new ATOM 0 HE ARG A 16 11.279 25.106 -5.462 1.00 41.44 H new ATOM 0 HH11 ARG A 16 9.383 22.684 -7.207 1.00 44.40 H new ATOM 0 HH12 ARG A 16 9.079 23.749 -8.584 1.00 44.40 H new ATOM 0 HH21 ARG A 16 10.885 26.465 -7.226 1.00 61.31 H new ATOM 0 HH22 ARG A 16 9.929 25.887 -8.595 1.00 61.31 H new ATOM 270 N ALA A 17 9.549 24.428 -0.654 1.00 2.12 N ATOM 271 CA ALA A 17 8.374 25.077 -0.078 1.00 33.54 C ATOM 272 C ALA A 17 8.710 25.683 1.277 1.00 24.54 C ATOM 273 O ALA A 17 8.118 26.678 1.691 1.00 1.33 O ATOM 274 CB ALA A 17 7.221 24.094 0.056 1.00 34.13 C ATOM 0 H ALA A 17 9.480 23.413 -0.731 1.00 2.12 H new ATOM 0 HA ALA A 17 8.066 25.876 -0.752 1.00 33.54 H new ATOM 0 HB1 ALA A 17 6.358 24.602 0.487 1.00 34.13 H new ATOM 0 HB2 ALA A 17 6.959 23.705 -0.928 1.00 34.13 H new ATOM 0 HB3 ALA A 17 7.519 23.270 0.705 1.00 34.13 H new ATOM 280 N GLY A 18 9.660 25.064 1.966 1.00 51.14 N ATOM 281 CA GLY A 18 10.133 25.593 3.229 1.00 30.22 C ATOM 282 C GLY A 18 10.861 26.913 3.066 1.00 44.24 C ATOM 283 O GLY A 18 10.875 27.736 3.981 1.00 11.14 O ATOM 0 H GLY A 18 10.113 24.200 1.670 1.00 51.14 H new ATOM 0 HA2 GLY A 18 9.287 25.728 3.903 1.00 30.22 H new ATOM 0 HA3 GLY A 18 10.800 24.869 3.696 1.00 30.22 H new ATOM 287 N TYR A 19 11.456 27.124 1.896 1.00 34.05 N ATOM 288 CA TYR A 19 12.213 28.339 1.634 1.00 45.12 C ATOM 289 C TYR A 19 12.105 28.745 0.170 1.00 10.22 C ATOM 290 O TYR A 19 12.983 28.433 -0.634 1.00 41.13 O ATOM 291 CB TYR A 19 13.687 28.169 2.022 1.00 74.13 C ATOM 292 CG TYR A 19 13.953 28.301 3.505 1.00 10.41 C ATOM 293 CD1 TYR A 19 14.088 29.553 4.086 1.00 25.43 C ATOM 294 CD2 TYR A 19 14.055 27.182 4.323 1.00 61.34 C ATOM 295 CE1 TYR A 19 14.319 29.689 5.439 1.00 22.44 C ATOM 296 CE2 TYR A 19 14.281 27.310 5.681 1.00 73.24 C ATOM 297 CZ TYR A 19 14.414 28.568 6.233 1.00 34.14 C ATOM 298 OH TYR A 19 14.620 28.714 7.588 1.00 52.11 O ATOM 0 H TYR A 19 11.427 26.468 1.115 1.00 34.05 H new ATOM 0 HA TYR A 19 11.782 29.129 2.249 1.00 45.12 H new ATOM 0 HB2 TYR A 19 14.029 27.189 1.688 1.00 74.13 H new ATOM 0 HB3 TYR A 19 14.280 28.912 1.490 1.00 74.13 H new ATOM 0 HD1 TYR A 19 14.011 30.436 3.469 1.00 25.43 H new ATOM 0 HD2 TYR A 19 13.956 26.197 3.891 1.00 61.34 H new ATOM 0 HE1 TYR A 19 14.425 30.672 5.874 1.00 22.44 H new ATOM 0 HE2 TYR A 19 14.353 26.432 6.305 1.00 73.24 H new ATOM 0 HH TYR A 19 15.505 28.365 7.824 1.00 52.11 H new ATOM 308 N PRO A 20 11.015 29.444 -0.197 1.00 2.25 N ATOM 309 CA PRO A 20 10.802 29.922 -1.569 1.00 33.00 C ATOM 310 C PRO A 20 11.834 30.973 -1.960 1.00 63.40 C ATOM 311 O PRO A 20 12.058 31.246 -3.141 1.00 22.41 O ATOM 312 CB PRO A 20 9.396 30.534 -1.528 1.00 62.04 C ATOM 313 CG PRO A 20 9.155 30.851 -0.092 1.00 43.04 C ATOM 314 CD PRO A 20 9.901 29.812 0.694 1.00 11.52 C ATOM 0 HA PRO A 20 10.901 29.124 -2.305 1.00 33.00 H new ATOM 0 HB2 PRO A 20 9.338 31.430 -2.145 1.00 62.04 H new ATOM 0 HB3 PRO A 20 8.650 29.836 -1.909 1.00 62.04 H new ATOM 0 HG2 PRO A 20 9.510 31.853 0.151 1.00 43.04 H new ATOM 0 HG3 PRO A 20 8.090 30.825 0.140 1.00 43.04 H new ATOM 0 HD2 PRO A 20 10.260 30.208 1.644 1.00 11.52 H new ATOM 0 HD3 PRO A 20 9.271 28.953 0.925 1.00 11.52 H new ATOM 322 N GLU A 21 12.470 31.541 -0.946 1.00 2.11 N ATOM 323 CA GLU A 21 13.515 32.534 -1.134 1.00 73.24 C ATOM 324 C GLU A 21 14.815 31.849 -1.546 1.00 20.44 C ATOM 325 O GLU A 21 15.785 32.502 -1.936 1.00 40.30 O ATOM 326 CB GLU A 21 13.752 33.289 0.178 1.00 43.24 C ATOM 327 CG GLU A 21 12.478 33.671 0.915 1.00 22.23 C ATOM 328 CD GLU A 21 11.637 34.673 0.157 1.00 20.12 C ATOM 329 OE1 GLU A 21 12.089 35.825 -0.006 1.00 52.40 O ATOM 330 OE2 GLU A 21 10.518 34.321 -0.261 1.00 51.00 O ATOM 0 H GLU A 21 12.275 31.325 0.032 1.00 2.11 H new ATOM 0 HA GLU A 21 13.202 33.229 -1.913 1.00 73.24 H new ATOM 0 HB2 GLU A 21 14.367 32.672 0.833 1.00 43.24 H new ATOM 0 HB3 GLU A 21 14.321 34.194 -0.034 1.00 43.24 H new ATOM 0 HG2 GLU A 21 11.887 32.773 1.098 1.00 22.23 H new ATOM 0 HG3 GLU A 21 12.738 34.086 1.889 1.00 22.23 H new ATOM 337 N GLY A 22 14.817 30.526 -1.457 1.00 34.52 N ATOM 338 CA GLY A 22 16.038 29.772 -1.607 1.00 33.44 C ATOM 339 C GLY A 22 16.686 29.562 -0.258 1.00 53.53 C ATOM 340 O GLY A 22 16.896 30.529 0.473 1.00 11.30 O ATOM 0 H GLY A 22 13.986 29.961 -1.282 1.00 34.52 H new ATOM 0 HA2 GLY A 22 15.825 28.809 -2.071 1.00 33.44 H new ATOM 0 HA3 GLY A 22 16.723 30.301 -2.270 1.00 33.44 H new ATOM 344 N ILE A 23 16.966 28.311 0.084 1.00 21.02 N ATOM 345 CA ILE A 23 17.527 27.977 1.393 1.00 2.44 C ATOM 346 C ILE A 23 18.835 28.731 1.624 1.00 35.10 C ATOM 347 O ILE A 23 19.835 28.462 0.962 1.00 4.14 O ATOM 348 CB ILE A 23 17.774 26.452 1.553 1.00 73.03 C ATOM 349 CG1 ILE A 23 16.457 25.664 1.597 1.00 44.05 C ATOM 350 CG2 ILE A 23 18.590 26.165 2.806 1.00 11.14 C ATOM 351 CD1 ILE A 23 15.782 25.486 0.252 1.00 33.31 C ATOM 0 H ILE A 23 16.815 27.508 -0.526 1.00 21.02 H new ATOM 0 HA ILE A 23 16.792 28.279 2.139 1.00 2.44 H new ATOM 0 HB ILE A 23 18.336 26.125 0.678 1.00 73.03 H new ATOM 0 HG12 ILE A 23 16.652 24.680 2.024 1.00 44.05 H new ATOM 0 HG13 ILE A 23 15.767 26.173 2.270 1.00 44.05 H new ATOM 0 HG21 ILE A 23 18.751 25.091 2.897 1.00 11.14 H new ATOM 0 HG22 ILE A 23 19.553 26.671 2.737 1.00 11.14 H new ATOM 0 HG23 ILE A 23 18.052 26.527 3.682 1.00 11.14 H new ATOM 0 HD11 ILE A 23 14.860 24.918 0.380 1.00 33.31 H new ATOM 0 HD12 ILE A 23 15.551 26.463 -0.171 1.00 33.31 H new ATOM 0 HD13 ILE A 23 16.449 24.948 -0.421 1.00 33.31 H new ATOM 363 N PRO A 24 18.830 29.698 2.560 1.00 3.32 N ATOM 364 CA PRO A 24 20.000 30.538 2.840 1.00 71.45 C ATOM 365 C PRO A 24 21.177 29.734 3.390 1.00 31.25 C ATOM 366 O PRO A 24 20.984 28.678 3.998 1.00 10.15 O ATOM 367 CB PRO A 24 19.496 31.535 3.892 1.00 34.22 C ATOM 368 CG PRO A 24 18.289 30.901 4.489 1.00 32.44 C ATOM 369 CD PRO A 24 17.679 30.053 3.411 1.00 74.45 C ATOM 0 HA PRO A 24 20.377 31.014 1.934 1.00 71.45 H new ATOM 0 HB2 PRO A 24 20.256 31.725 4.650 1.00 34.22 H new ATOM 0 HB3 PRO A 24 19.252 32.495 3.438 1.00 34.22 H new ATOM 0 HG2 PRO A 24 18.556 30.295 5.355 1.00 32.44 H new ATOM 0 HG3 PRO A 24 17.584 31.657 4.834 1.00 32.44 H new ATOM 0 HD2 PRO A 24 17.196 29.167 3.823 1.00 74.45 H new ATOM 0 HD3 PRO A 24 16.920 30.600 2.852 1.00 74.45 H new ATOM 377 N PRO A 25 22.412 30.237 3.191 1.00 35.02 N ATOM 378 CA PRO A 25 23.641 29.577 3.652 1.00 12.04 C ATOM 379 C PRO A 25 23.602 29.238 5.138 1.00 11.40 C ATOM 380 O PRO A 25 24.154 28.226 5.570 1.00 22.20 O ATOM 381 CB PRO A 25 24.746 30.607 3.371 1.00 2.20 C ATOM 382 CG PRO A 25 24.040 31.882 3.051 1.00 24.32 C ATOM 383 CD PRO A 25 22.709 31.488 2.482 1.00 72.20 C ATOM 0 HA PRO A 25 23.793 28.624 3.145 1.00 12.04 H new ATOM 0 HB2 PRO A 25 25.398 30.727 4.236 1.00 2.20 H new ATOM 0 HB3 PRO A 25 25.375 30.289 2.540 1.00 2.20 H new ATOM 0 HG2 PRO A 25 23.916 32.494 3.944 1.00 24.32 H new ATOM 0 HG3 PRO A 25 24.610 32.474 2.335 1.00 24.32 H new ATOM 0 HD2 PRO A 25 21.949 32.248 2.666 1.00 72.20 H new ATOM 0 HD3 PRO A 25 22.758 31.340 1.403 1.00 72.20 H new ATOM 391 N THR A 26 22.937 30.088 5.913 1.00 51.12 N ATOM 392 CA THR A 26 22.785 29.870 7.342 1.00 71.04 C ATOM 393 C THR A 26 22.013 28.583 7.610 1.00 51.20 C ATOM 394 O THR A 26 22.430 27.739 8.401 1.00 74.44 O ATOM 395 CB THR A 26 22.040 31.053 7.992 1.00 21.22 C ATOM 396 OG1 THR A 26 20.855 31.358 7.232 1.00 52.23 O ATOM 397 CG2 THR A 26 22.931 32.282 8.069 1.00 51.12 C ATOM 0 H THR A 26 22.493 30.940 5.570 1.00 51.12 H new ATOM 0 HA THR A 26 23.781 29.788 7.776 1.00 71.04 H new ATOM 0 HB THR A 26 21.761 30.767 9.006 1.00 21.22 H new ATOM 0 HG1 THR A 26 20.128 30.760 7.505 1.00 52.23 H new ATOM 0 HG21 THR A 26 22.381 33.102 8.531 1.00 51.12 H new ATOM 0 HG22 THR A 26 23.814 32.055 8.667 1.00 51.12 H new ATOM 0 HG23 THR A 26 23.238 32.572 7.064 1.00 51.12 H new ATOM 405 N ASP A 27 20.903 28.431 6.905 1.00 40.23 N ATOM 406 CA ASP A 27 19.992 27.321 7.129 1.00 64.21 C ATOM 407 C ASP A 27 20.436 26.081 6.379 1.00 23.45 C ATOM 408 O ASP A 27 19.940 24.994 6.637 1.00 13.20 O ATOM 409 CB ASP A 27 18.574 27.706 6.701 1.00 62.14 C ATOM 410 CG ASP A 27 17.989 28.787 7.579 1.00 1.21 C ATOM 411 OD1 ASP A 27 18.450 29.943 7.493 1.00 22.33 O ATOM 412 OD2 ASP A 27 17.084 28.481 8.380 1.00 12.42 O ATOM 0 H ASP A 27 20.610 29.070 6.166 1.00 40.23 H new ATOM 0 HA ASP A 27 20.000 27.095 8.195 1.00 64.21 H new ATOM 0 HB2 ASP A 27 18.589 28.048 5.666 1.00 62.14 H new ATOM 0 HB3 ASP A 27 17.933 26.825 6.736 1.00 62.14 H new ATOM 417 N SER A 28 21.372 26.247 5.458 1.00 54.23 N ATOM 418 CA SER A 28 21.872 25.129 4.668 1.00 53.34 C ATOM 419 C SER A 28 22.404 24.020 5.574 1.00 42.43 C ATOM 420 O SER A 28 22.075 22.842 5.400 1.00 42.13 O ATOM 421 CB SER A 28 22.969 25.617 3.725 1.00 4.45 C ATOM 422 OG SER A 28 22.484 26.635 2.868 1.00 12.42 O ATOM 0 H SER A 28 21.802 27.145 5.238 1.00 54.23 H new ATOM 0 HA SER A 28 21.050 24.719 4.081 1.00 53.34 H new ATOM 0 HB2 SER A 28 23.811 25.995 4.305 1.00 4.45 H new ATOM 0 HB3 SER A 28 23.341 24.782 3.131 1.00 4.45 H new ATOM 0 HG SER A 28 22.084 27.351 3.404 1.00 12.42 H new ATOM 428 N PHE A 29 23.201 24.413 6.559 1.00 42.55 N ATOM 429 CA PHE A 29 23.772 23.472 7.512 1.00 4.12 C ATOM 430 C PHE A 29 22.672 22.848 8.369 1.00 35.43 C ATOM 431 O PHE A 29 22.698 21.651 8.665 1.00 12.15 O ATOM 432 CB PHE A 29 24.809 24.174 8.395 1.00 33.34 C ATOM 433 CG PHE A 29 26.086 24.541 7.681 1.00 34.33 C ATOM 434 CD1 PHE A 29 26.070 25.337 6.546 1.00 24.54 C ATOM 435 CD2 PHE A 29 27.306 24.087 8.152 1.00 60.53 C ATOM 436 CE1 PHE A 29 27.243 25.675 5.899 1.00 25.20 C ATOM 437 CE2 PHE A 29 28.484 24.421 7.510 1.00 42.44 C ATOM 438 CZ PHE A 29 28.453 25.217 6.383 1.00 14.20 C ATOM 0 H PHE A 29 23.468 25.384 6.719 1.00 42.55 H new ATOM 0 HA PHE A 29 24.270 22.675 6.960 1.00 4.12 H new ATOM 0 HB2 PHE A 29 24.364 25.079 8.808 1.00 33.34 H new ATOM 0 HB3 PHE A 29 25.051 23.525 9.237 1.00 33.34 H new ATOM 0 HD1 PHE A 29 25.127 25.698 6.162 1.00 24.54 H new ATOM 0 HD2 PHE A 29 27.338 23.463 9.033 1.00 60.53 H new ATOM 0 HE1 PHE A 29 27.214 26.296 5.016 1.00 25.20 H new ATOM 0 HE2 PHE A 29 29.428 24.059 7.890 1.00 42.44 H new ATOM 0 HZ PHE A 29 29.372 25.481 5.881 1.00 14.20 H new ATOM 448 N ALA A 30 21.698 23.662 8.749 1.00 14.21 N ATOM 449 CA ALA A 30 20.566 23.190 9.535 1.00 35.22 C ATOM 450 C ALA A 30 19.731 22.190 8.738 1.00 13.34 C ATOM 451 O ALA A 30 19.349 21.138 9.254 1.00 31.42 O ATOM 452 CB ALA A 30 19.709 24.363 9.980 1.00 43.15 C ATOM 0 H ALA A 30 21.669 24.657 8.525 1.00 14.21 H new ATOM 0 HA ALA A 30 20.950 22.682 10.420 1.00 35.22 H new ATOM 0 HB1 ALA A 30 18.867 23.996 10.566 1.00 43.15 H new ATOM 0 HB2 ALA A 30 20.308 25.041 10.589 1.00 43.15 H new ATOM 0 HB3 ALA A 30 19.337 24.895 9.104 1.00 43.15 H new ATOM 458 N VAL A 31 19.460 22.524 7.479 1.00 22.11 N ATOM 459 CA VAL A 31 18.708 21.646 6.589 1.00 35.35 C ATOM 460 C VAL A 31 19.398 20.297 6.455 1.00 24.34 C ATOM 461 O VAL A 31 18.772 19.255 6.637 1.00 23.22 O ATOM 462 CB VAL A 31 18.527 22.268 5.181 1.00 1.31 C ATOM 463 CG1 VAL A 31 17.905 21.266 4.214 1.00 65.31 C ATOM 464 CG2 VAL A 31 17.670 23.520 5.253 1.00 4.31 C ATOM 0 H VAL A 31 19.752 23.402 7.051 1.00 22.11 H new ATOM 0 HA VAL A 31 17.723 21.512 7.036 1.00 35.35 H new ATOM 0 HB VAL A 31 19.515 22.538 4.809 1.00 1.31 H new ATOM 0 HG11 VAL A 31 17.790 21.729 3.234 1.00 65.31 H new ATOM 0 HG12 VAL A 31 18.552 20.393 4.129 1.00 65.31 H new ATOM 0 HG13 VAL A 31 16.928 20.958 4.587 1.00 65.31 H new ATOM 0 HG21 VAL A 31 17.556 23.941 4.254 1.00 4.31 H new ATOM 0 HG22 VAL A 31 16.689 23.267 5.655 1.00 4.31 H new ATOM 0 HG23 VAL A 31 18.150 24.252 5.902 1.00 4.31 H new ATOM 474 N LEU A 32 20.691 20.318 6.154 1.00 10.50 N ATOM 475 CA LEU A 32 21.439 19.085 5.966 1.00 25.41 C ATOM 476 C LEU A 32 21.479 18.273 7.260 1.00 40.04 C ATOM 477 O LEU A 32 21.390 17.046 7.226 1.00 73.03 O ATOM 478 CB LEU A 32 22.845 19.383 5.427 1.00 30.42 C ATOM 479 CG LEU A 32 23.841 19.988 6.412 1.00 42.24 C ATOM 480 CD1 LEU A 32 24.556 18.885 7.168 1.00 63.55 C ATOM 481 CD2 LEU A 32 24.834 20.876 5.684 1.00 45.32 C ATOM 0 H LEU A 32 21.239 21.170 6.036 1.00 10.50 H new ATOM 0 HA LEU A 32 20.928 18.476 5.220 1.00 25.41 H new ATOM 0 HB2 LEU A 32 23.267 18.454 5.044 1.00 30.42 H new ATOM 0 HB3 LEU A 32 22.748 20.062 4.580 1.00 30.42 H new ATOM 0 HG LEU A 32 23.300 20.605 7.129 1.00 42.24 H new ATOM 0 HD11 LEU A 32 25.265 19.325 7.869 1.00 63.55 H new ATOM 0 HD12 LEU A 32 23.827 18.288 7.716 1.00 63.55 H new ATOM 0 HD13 LEU A 32 25.090 18.248 6.463 1.00 63.55 H new ATOM 0 HD21 LEU A 32 25.537 21.300 6.401 1.00 45.32 H new ATOM 0 HD22 LEU A 32 25.379 20.285 4.947 1.00 45.32 H new ATOM 0 HD23 LEU A 32 24.300 21.682 5.180 1.00 45.32 H new ATOM 493 N ALA A 33 21.588 18.958 8.396 1.00 25.31 N ATOM 494 CA ALA A 33 21.588 18.285 9.691 1.00 12.22 C ATOM 495 C ALA A 33 20.245 17.616 9.960 1.00 4.10 C ATOM 496 O ALA A 33 20.185 16.483 10.439 1.00 40.14 O ATOM 497 CB ALA A 33 21.913 19.270 10.800 1.00 3.22 C ATOM 0 H ALA A 33 21.677 19.973 8.446 1.00 25.31 H new ATOM 0 HA ALA A 33 22.356 17.512 9.669 1.00 12.22 H new ATOM 0 HB1 ALA A 33 21.909 18.752 11.759 1.00 3.22 H new ATOM 0 HB2 ALA A 33 22.898 19.703 10.625 1.00 3.22 H new ATOM 0 HB3 ALA A 33 21.166 20.063 10.813 1.00 3.22 H new ATOM 503 N LEU A 34 19.173 18.326 9.646 1.00 53.14 N ATOM 504 CA LEU A 34 17.826 17.814 9.836 1.00 63.15 C ATOM 505 C LEU A 34 17.570 16.647 8.885 1.00 74.13 C ATOM 506 O LEU A 34 17.138 15.569 9.306 1.00 75.13 O ATOM 507 CB LEU A 34 16.812 18.950 9.602 1.00 2.44 C ATOM 508 CG LEU A 34 15.358 18.670 10.012 1.00 20.15 C ATOM 509 CD1 LEU A 34 14.645 17.816 8.971 1.00 40.53 C ATOM 510 CD2 LEU A 34 15.309 18.004 11.380 1.00 2.14 C ATOM 0 H LEU A 34 19.212 19.267 9.255 1.00 53.14 H new ATOM 0 HA LEU A 34 17.712 17.447 10.856 1.00 63.15 H new ATOM 0 HB2 LEU A 34 17.156 19.830 10.145 1.00 2.44 H new ATOM 0 HB3 LEU A 34 16.824 19.204 8.542 1.00 2.44 H new ATOM 0 HG LEU A 34 14.836 19.625 10.072 1.00 20.15 H new ATOM 0 HD11 LEU A 34 13.618 17.635 9.290 1.00 40.53 H new ATOM 0 HD12 LEU A 34 14.641 18.337 8.014 1.00 40.53 H new ATOM 0 HD13 LEU A 34 15.165 16.864 8.864 1.00 40.53 H new ATOM 0 HD21 LEU A 34 14.272 17.813 11.655 1.00 2.14 H new ATOM 0 HD22 LEU A 34 15.855 17.061 11.345 1.00 2.14 H new ATOM 0 HD23 LEU A 34 15.765 18.660 12.121 1.00 2.14 H new ATOM 522 N LEU A 35 17.860 16.867 7.610 1.00 33.13 N ATOM 523 CA LEU A 35 17.606 15.878 6.572 1.00 40.52 C ATOM 524 C LEU A 35 18.423 14.610 6.780 1.00 5.24 C ATOM 525 O LEU A 35 17.938 13.516 6.501 1.00 72.35 O ATOM 526 CB LEU A 35 17.902 16.461 5.190 1.00 55.52 C ATOM 527 CG LEU A 35 16.700 17.060 4.453 1.00 3.21 C ATOM 528 CD1 LEU A 35 16.067 18.188 5.256 1.00 51.22 C ATOM 529 CD2 LEU A 35 17.126 17.554 3.082 1.00 64.40 C ATOM 0 H LEU A 35 18.276 17.733 7.267 1.00 33.13 H new ATOM 0 HA LEU A 35 16.551 15.612 6.636 1.00 40.52 H new ATOM 0 HB2 LEU A 35 18.662 17.235 5.297 1.00 55.52 H new ATOM 0 HB3 LEU A 35 18.332 15.676 4.569 1.00 55.52 H new ATOM 0 HG LEU A 35 15.949 16.279 4.331 1.00 3.21 H new ATOM 0 HD11 LEU A 35 15.217 18.593 4.707 1.00 51.22 H new ATOM 0 HD12 LEU A 35 15.728 17.804 6.218 1.00 51.22 H new ATOM 0 HD13 LEU A 35 16.802 18.976 5.419 1.00 51.22 H new ATOM 0 HD21 LEU A 35 16.266 17.978 2.565 1.00 64.40 H new ATOM 0 HD22 LEU A 35 17.895 18.318 3.193 1.00 64.40 H new ATOM 0 HD23 LEU A 35 17.523 16.721 2.502 1.00 64.40 H new ATOM 541 N CYS A 36 19.649 14.757 7.282 1.00 33.14 N ATOM 542 CA CYS A 36 20.540 13.615 7.496 1.00 11.42 C ATOM 543 C CYS A 36 19.917 12.590 8.445 1.00 12.21 C ATOM 544 O CYS A 36 20.248 11.405 8.399 1.00 70.34 O ATOM 545 CB CYS A 36 21.891 14.085 8.049 1.00 4.50 C ATOM 546 SG CYS A 36 23.148 12.786 8.163 1.00 54.32 S ATOM 0 H CYS A 36 20.049 15.657 7.549 1.00 33.14 H new ATOM 0 HA CYS A 36 20.696 13.134 6.531 1.00 11.42 H new ATOM 0 HB2 CYS A 36 22.271 14.886 7.414 1.00 4.50 H new ATOM 0 HB3 CYS A 36 21.735 14.511 9.040 1.00 4.50 H new ATOM 0 HG CYS A 36 22.567 11.628 8.270 1.00 54.32 H new ATOM 552 N ARG A 37 18.999 13.041 9.293 1.00 51.20 N ATOM 553 CA ARG A 37 18.368 12.155 10.263 1.00 34.43 C ATOM 554 C ARG A 37 17.167 11.436 9.648 1.00 14.35 C ATOM 555 O ARG A 37 16.546 10.586 10.283 1.00 42.53 O ATOM 556 CB ARG A 37 17.945 12.937 11.507 1.00 32.30 C ATOM 557 CG ARG A 37 19.067 13.766 12.111 1.00 43.23 C ATOM 558 CD ARG A 37 18.694 14.306 13.480 1.00 5.05 C ATOM 559 NE ARG A 37 17.394 14.980 13.475 1.00 43.43 N ATOM 560 CZ ARG A 37 16.820 15.492 14.563 1.00 2.44 C ATOM 561 NH1 ARG A 37 17.468 15.493 15.725 1.00 61.42 N ATOM 562 NH2 ARG A 37 15.605 16.025 14.482 1.00 55.24 N ATOM 0 H ARG A 37 18.677 14.008 9.328 1.00 51.20 H new ATOM 0 HA ARG A 37 19.098 11.402 10.558 1.00 34.43 H new ATOM 0 HB2 ARG A 37 17.116 13.595 11.248 1.00 32.30 H new ATOM 0 HB3 ARG A 37 17.575 12.238 12.258 1.00 32.30 H new ATOM 0 HG2 ARG A 37 19.966 13.156 12.194 1.00 43.23 H new ATOM 0 HG3 ARG A 37 19.305 14.596 11.445 1.00 43.23 H new ATOM 0 HD2 ARG A 37 18.673 13.486 14.198 1.00 5.05 H new ATOM 0 HD3 ARG A 37 19.462 15.004 13.815 1.00 5.05 H new ATOM 0 HE ARG A 37 16.899 15.062 12.587 1.00 43.43 H new ATOM 0 HH11 ARG A 37 18.408 15.101 15.785 1.00 61.42 H new ATOM 0 HH12 ARG A 37 17.025 15.886 16.556 1.00 61.42 H new ATOM 0 HH21 ARG A 37 15.114 16.041 13.588 1.00 55.24 H new ATOM 0 HH22 ARG A 37 15.164 16.417 15.314 1.00 55.24 H new ATOM 576 N ARG A 38 16.846 11.780 8.410 1.00 2.53 N ATOM 577 CA ARG A 38 15.777 11.108 7.679 1.00 2.05 C ATOM 578 C ARG A 38 16.366 10.335 6.509 1.00 61.41 C ATOM 579 O ARG A 38 16.067 9.158 6.311 1.00 11.31 O ATOM 580 CB ARG A 38 14.737 12.120 7.180 1.00 23.14 C ATOM 581 CG ARG A 38 13.656 11.529 6.273 1.00 24.55 C ATOM 582 CD ARG A 38 12.782 10.498 6.985 1.00 5.44 C ATOM 583 NE ARG A 38 13.497 9.252 7.263 1.00 52.14 N ATOM 584 CZ ARG A 38 13.127 8.358 8.183 1.00 24.15 C ATOM 585 NH1 ARG A 38 12.037 8.555 8.916 1.00 53.54 N ATOM 586 NH2 ARG A 38 13.859 7.267 8.370 1.00 25.01 N ATOM 0 H ARG A 38 17.311 12.522 7.887 1.00 2.53 H new ATOM 0 HA ARG A 38 15.275 10.413 8.353 1.00 2.05 H new ATOM 0 HB2 ARG A 38 14.256 12.582 8.042 1.00 23.14 H new ATOM 0 HB3 ARG A 38 15.252 12.914 6.639 1.00 23.14 H new ATOM 0 HG2 ARG A 38 13.025 12.334 5.895 1.00 24.55 H new ATOM 0 HG3 ARG A 38 14.129 11.062 5.409 1.00 24.55 H new ATOM 0 HD2 ARG A 38 12.418 10.920 7.921 1.00 5.44 H new ATOM 0 HD3 ARG A 38 11.908 10.282 6.371 1.00 5.44 H new ATOM 0 HE ARG A 38 14.335 9.053 6.717 1.00 52.14 H new ATOM 0 HH11 ARG A 38 11.475 9.395 8.778 1.00 53.54 H new ATOM 0 HH12 ARG A 38 11.762 7.866 9.616 1.00 53.54 H new ATOM 0 HH21 ARG A 38 14.699 7.115 7.812 1.00 25.01 H new ATOM 0 HH22 ARG A 38 13.581 6.581 9.071 1.00 25.01 H new ATOM 600 N LEU A 39 17.201 11.012 5.746 1.00 65.23 N ATOM 601 CA LEU A 39 17.896 10.404 4.630 1.00 20.15 C ATOM 602 C LEU A 39 19.388 10.616 4.817 1.00 65.21 C ATOM 603 O LEU A 39 19.805 11.632 5.364 1.00 43.15 O ATOM 604 CB LEU A 39 17.426 11.016 3.309 1.00 10.31 C ATOM 605 CG LEU A 39 15.966 10.733 2.942 1.00 51.21 C ATOM 606 CD1 LEU A 39 15.551 11.561 1.737 1.00 2.22 C ATOM 607 CD2 LEU A 39 15.763 9.252 2.660 1.00 20.33 C ATOM 0 H LEU A 39 17.417 12.000 5.883 1.00 65.23 H new ATOM 0 HA LEU A 39 17.678 9.336 4.596 1.00 20.15 H new ATOM 0 HB2 LEU A 39 17.569 12.096 3.356 1.00 10.31 H new ATOM 0 HB3 LEU A 39 18.064 10.644 2.507 1.00 10.31 H new ATOM 0 HG LEU A 39 15.339 11.013 3.789 1.00 51.21 H new ATOM 0 HD11 LEU A 39 14.511 11.348 1.490 1.00 2.22 H new ATOM 0 HD12 LEU A 39 15.659 12.621 1.969 1.00 2.22 H new ATOM 0 HD13 LEU A 39 16.185 11.309 0.887 1.00 2.22 H new ATOM 0 HD21 LEU A 39 14.720 9.071 2.401 1.00 20.33 H new ATOM 0 HD22 LEU A 39 16.401 8.949 1.830 1.00 20.33 H new ATOM 0 HD23 LEU A 39 16.023 8.674 3.547 1.00 20.33 H new ATOM 619 N SER A 40 20.185 9.667 4.376 1.00 0.33 N ATOM 620 CA SER A 40 21.612 9.713 4.631 1.00 2.24 C ATOM 621 C SER A 40 22.297 10.752 3.736 1.00 60.02 C ATOM 622 O SER A 40 21.659 11.357 2.867 1.00 20.13 O ATOM 623 CB SER A 40 22.202 8.327 4.431 1.00 31.30 C ATOM 624 OG SER A 40 21.443 7.356 5.131 1.00 44.04 O ATOM 0 H SER A 40 19.873 8.857 3.841 1.00 0.33 H new ATOM 0 HA SER A 40 21.784 10.021 5.662 1.00 2.24 H new ATOM 0 HB2 SER A 40 22.222 8.084 3.369 1.00 31.30 H new ATOM 0 HB3 SER A 40 23.234 8.311 4.781 1.00 31.30 H new ATOM 0 HG SER A 40 20.691 7.065 4.574 1.00 44.04 H new ATOM 630 N HIS A 41 23.597 10.951 3.941 1.00 13.31 N ATOM 631 CA HIS A 41 24.290 12.079 3.322 1.00 75.25 C ATOM 632 C HIS A 41 24.386 11.956 1.800 1.00 41.11 C ATOM 633 O HIS A 41 24.535 12.961 1.110 1.00 41.13 O ATOM 634 CB HIS A 41 25.676 12.319 3.953 1.00 10.05 C ATOM 635 CG HIS A 41 26.729 11.279 3.680 1.00 74.22 C ATOM 636 ND1 HIS A 41 28.062 11.491 3.960 1.00 64.11 N ATOM 637 CD2 HIS A 41 26.655 10.025 3.171 1.00 31.41 C ATOM 638 CE1 HIS A 41 28.759 10.417 3.638 1.00 64.54 C ATOM 639 NE2 HIS A 41 27.927 9.512 3.157 1.00 43.23 N ATOM 0 H HIS A 41 24.186 10.355 4.523 1.00 13.31 H new ATOM 0 HA HIS A 41 23.676 12.956 3.526 1.00 75.25 H new ATOM 0 HB2 HIS A 41 26.048 13.281 3.602 1.00 10.05 H new ATOM 0 HB3 HIS A 41 25.550 12.401 5.033 1.00 10.05 H new ATOM 0 HD1 HIS A 41 28.451 12.347 4.356 1.00 64.11 H new ATOM 0 HD2 HIS A 41 25.759 9.522 2.838 1.00 31.41 H new ATOM 0 HE1 HIS A 41 29.827 10.299 3.749 1.00 64.54 H new ATOM 648 N ASP A 42 24.286 10.747 1.264 1.00 23.54 N ATOM 649 CA ASP A 42 24.305 10.586 -0.187 1.00 0.05 C ATOM 650 C ASP A 42 22.957 10.986 -0.768 1.00 12.44 C ATOM 651 O ASP A 42 22.892 11.643 -1.810 1.00 21.11 O ATOM 652 CB ASP A 42 24.654 9.154 -0.593 1.00 61.05 C ATOM 653 CG ASP A 42 24.691 8.983 -2.099 1.00 60.32 C ATOM 654 OD1 ASP A 42 25.571 9.583 -2.748 1.00 11.00 O ATOM 655 OD2 ASP A 42 23.839 8.253 -2.640 1.00 63.43 O ATOM 0 H ASP A 42 24.193 9.881 1.795 1.00 23.54 H new ATOM 0 HA ASP A 42 25.081 11.238 -0.588 1.00 0.05 H new ATOM 0 HB2 ASP A 42 25.623 8.884 -0.174 1.00 61.05 H new ATOM 0 HB3 ASP A 42 23.921 8.468 -0.168 1.00 61.05 H new ATOM 660 N GLU A 43 21.889 10.600 -0.073 1.00 14.52 N ATOM 661 CA GLU A 43 20.539 10.997 -0.445 1.00 51.01 C ATOM 662 C GLU A 43 20.424 12.514 -0.466 1.00 73.32 C ATOM 663 O GLU A 43 19.990 13.103 -1.460 1.00 20.03 O ATOM 664 CB GLU A 43 19.495 10.430 0.527 1.00 51.22 C ATOM 665 CG GLU A 43 19.368 8.911 0.520 1.00 54.12 C ATOM 666 CD GLU A 43 20.403 8.214 1.383 1.00 74.12 C ATOM 667 OE1 GLU A 43 21.593 8.184 0.999 1.00 43.22 O ATOM 668 OE2 GLU A 43 20.029 7.681 2.449 1.00 44.24 O ATOM 0 H GLU A 43 21.937 10.008 0.756 1.00 14.52 H new ATOM 0 HA GLU A 43 20.344 10.594 -1.439 1.00 51.01 H new ATOM 0 HB2 GLU A 43 19.747 10.754 1.537 1.00 51.22 H new ATOM 0 HB3 GLU A 43 18.524 10.862 0.286 1.00 51.22 H new ATOM 0 HG2 GLU A 43 18.372 8.636 0.867 1.00 54.12 H new ATOM 0 HG3 GLU A 43 19.459 8.551 -0.505 1.00 54.12 H new ATOM 675 N VAL A 44 20.833 13.145 0.628 1.00 12.04 N ATOM 676 CA VAL A 44 20.766 14.597 0.729 1.00 64.12 C ATOM 677 C VAL A 44 21.726 15.257 -0.258 1.00 44.32 C ATOM 678 O VAL A 44 21.439 16.330 -0.780 1.00 4.42 O ATOM 679 CB VAL A 44 21.030 15.108 2.162 1.00 64.34 C ATOM 680 CG1 VAL A 44 20.015 14.517 3.129 1.00 55.54 C ATOM 681 CG2 VAL A 44 22.444 14.788 2.615 1.00 41.02 C ATOM 0 H VAL A 44 21.212 12.678 1.452 1.00 12.04 H new ATOM 0 HA VAL A 44 19.745 14.879 0.473 1.00 64.12 H new ATOM 0 HB VAL A 44 20.922 16.193 2.155 1.00 64.34 H new ATOM 0 HG11 VAL A 44 20.213 14.886 4.135 1.00 55.54 H new ATOM 0 HG12 VAL A 44 19.010 14.811 2.826 1.00 55.54 H new ATOM 0 HG13 VAL A 44 20.093 13.430 3.119 1.00 55.54 H new ATOM 0 HG21 VAL A 44 22.595 15.162 3.628 1.00 41.02 H new ATOM 0 HG22 VAL A 44 22.595 13.709 2.600 1.00 41.02 H new ATOM 0 HG23 VAL A 44 23.158 15.263 1.942 1.00 41.02 H new ATOM 691 N LYS A 45 22.864 14.608 -0.523 1.00 40.31 N ATOM 692 CA LYS A 45 23.794 15.089 -1.540 1.00 12.13 C ATOM 693 C LYS A 45 23.099 15.146 -2.895 1.00 13.43 C ATOM 694 O LYS A 45 23.224 16.122 -3.624 1.00 15.20 O ATOM 695 CB LYS A 45 25.046 14.186 -1.601 1.00 61.33 C ATOM 696 CG LYS A 45 26.166 14.709 -2.496 1.00 2.02 C ATOM 697 CD LYS A 45 26.012 14.303 -3.959 1.00 33.13 C ATOM 698 CE LYS A 45 26.156 12.799 -4.158 1.00 75.13 C ATOM 699 NZ LYS A 45 24.856 12.085 -4.033 1.00 24.32 N ATOM 0 H LYS A 45 23.159 13.754 -0.049 1.00 40.31 H new ATOM 0 HA LYS A 45 24.119 16.095 -1.274 1.00 12.13 H new ATOM 0 HB2 LYS A 45 25.436 14.059 -0.591 1.00 61.33 H new ATOM 0 HB3 LYS A 45 24.748 13.199 -1.954 1.00 61.33 H new ATOM 0 HG2 LYS A 45 26.196 15.797 -2.430 1.00 2.02 H new ATOM 0 HG3 LYS A 45 27.121 14.340 -2.123 1.00 2.02 H new ATOM 0 HD2 LYS A 45 25.036 14.624 -4.322 1.00 33.13 H new ATOM 0 HD3 LYS A 45 26.761 14.820 -4.559 1.00 33.13 H new ATOM 0 HE2 LYS A 45 26.582 12.604 -5.142 1.00 75.13 H new ATOM 0 HE3 LYS A 45 26.857 12.403 -3.423 1.00 75.13 H new ATOM 0 HZ1 LYS A 45 24.961 11.284 -3.378 1.00 24.32 H new ATOM 0 HZ2 LYS A 45 24.135 12.739 -3.667 1.00 24.32 H new ATOM 0 HZ3 LYS A 45 24.562 11.732 -4.966 1.00 24.32 H new ATOM 713 N ALA A 46 22.339 14.104 -3.209 1.00 24.01 N ATOM 714 CA ALA A 46 21.663 14.016 -4.495 1.00 74.23 C ATOM 715 C ALA A 46 20.561 15.063 -4.619 1.00 34.34 C ATOM 716 O ALA A 46 20.520 15.811 -5.596 1.00 23.14 O ATOM 717 CB ALA A 46 21.094 12.619 -4.698 1.00 34.25 C ATOM 0 H ALA A 46 22.176 13.309 -2.591 1.00 24.01 H new ATOM 0 HA ALA A 46 22.399 14.215 -5.274 1.00 74.23 H new ATOM 0 HB1 ALA A 46 20.591 12.568 -5.664 1.00 34.25 H new ATOM 0 HB2 ALA A 46 21.903 11.889 -4.671 1.00 34.25 H new ATOM 0 HB3 ALA A 46 20.380 12.398 -3.905 1.00 34.25 H new ATOM 723 N VAL A 47 19.685 15.129 -3.618 1.00 63.11 N ATOM 724 CA VAL A 47 18.550 16.048 -3.663 1.00 5.15 C ATOM 725 C VAL A 47 19.016 17.507 -3.663 1.00 71.40 C ATOM 726 O VAL A 47 18.460 18.344 -4.376 1.00 3.44 O ATOM 727 CB VAL A 47 17.553 15.797 -2.499 1.00 52.11 C ATOM 728 CG1 VAL A 47 18.199 16.027 -1.142 1.00 2.14 C ATOM 729 CG2 VAL A 47 16.314 16.665 -2.658 1.00 1.32 C ATOM 0 H VAL A 47 19.738 14.562 -2.772 1.00 63.11 H new ATOM 0 HA VAL A 47 18.024 15.854 -4.598 1.00 5.15 H new ATOM 0 HB VAL A 47 17.254 14.750 -2.545 1.00 52.11 H new ATOM 0 HG11 VAL A 47 17.468 15.841 -0.355 1.00 2.14 H new ATOM 0 HG12 VAL A 47 19.043 15.348 -1.021 1.00 2.14 H new ATOM 0 HG13 VAL A 47 18.549 17.057 -1.076 1.00 2.14 H new ATOM 0 HG21 VAL A 47 15.628 16.474 -1.833 1.00 1.32 H new ATOM 0 HG22 VAL A 47 16.603 17.716 -2.654 1.00 1.32 H new ATOM 0 HG23 VAL A 47 15.822 16.427 -3.601 1.00 1.32 H new ATOM 739 N ALA A 48 20.052 17.810 -2.890 1.00 53.54 N ATOM 740 CA ALA A 48 20.593 19.159 -2.859 1.00 3.21 C ATOM 741 C ALA A 48 21.208 19.509 -4.206 1.00 22.54 C ATOM 742 O ALA A 48 20.988 20.599 -4.736 1.00 13.30 O ATOM 743 CB ALA A 48 21.624 19.302 -1.751 1.00 15.11 C ATOM 0 H ALA A 48 20.529 17.145 -2.282 1.00 53.54 H new ATOM 0 HA ALA A 48 19.777 19.853 -2.655 1.00 3.21 H new ATOM 0 HB1 ALA A 48 22.015 20.319 -1.747 1.00 15.11 H new ATOM 0 HB2 ALA A 48 21.157 19.089 -0.790 1.00 15.11 H new ATOM 0 HB3 ALA A 48 22.441 18.600 -1.921 1.00 15.11 H new ATOM 749 N ASN A 49 21.956 18.562 -4.762 1.00 73.23 N ATOM 750 CA ASN A 49 22.604 18.748 -6.053 1.00 11.34 C ATOM 751 C ASN A 49 21.588 19.003 -7.155 1.00 21.14 C ATOM 752 O ASN A 49 21.756 19.922 -7.953 1.00 34.35 O ATOM 753 CB ASN A 49 23.470 17.533 -6.404 1.00 24.22 C ATOM 754 CG ASN A 49 24.875 17.644 -5.843 1.00 72.24 C ATOM 755 OD1 ASN A 49 25.104 18.301 -4.828 1.00 13.43 O ATOM 756 ND2 ASN A 49 25.828 16.997 -6.494 1.00 34.41 N ATOM 0 H ASN A 49 22.129 17.652 -4.334 1.00 73.23 H new ATOM 0 HA ASN A 49 23.244 19.627 -5.974 1.00 11.34 H new ATOM 0 HB2 ASN A 49 22.998 16.630 -6.018 1.00 24.22 H new ATOM 0 HB3 ASN A 49 23.521 17.428 -7.488 1.00 24.22 H new ATOM 0 HD21 ASN A 49 26.790 17.033 -6.158 1.00 34.41 H new ATOM 0 HD22 ASN A 49 25.600 16.462 -7.332 1.00 34.41 H new ATOM 763 N GLU A 50 20.522 18.210 -7.189 1.00 63.12 N ATOM 764 CA GLU A 50 19.523 18.351 -8.240 1.00 22.12 C ATOM 765 C GLU A 50 18.670 19.598 -8.029 1.00 22.40 C ATOM 766 O GLU A 50 18.239 20.225 -8.993 1.00 61.11 O ATOM 767 CB GLU A 50 18.631 17.110 -8.343 1.00 3.54 C ATOM 768 CG GLU A 50 17.723 16.891 -7.147 1.00 54.34 C ATOM 769 CD GLU A 50 16.803 15.707 -7.340 1.00 12.15 C ATOM 770 OE1 GLU A 50 17.266 14.558 -7.191 1.00 72.03 O ATOM 771 OE2 GLU A 50 15.617 15.920 -7.664 1.00 13.25 O ATOM 0 H GLU A 50 20.330 17.473 -6.511 1.00 63.12 H new ATOM 0 HA GLU A 50 20.064 18.457 -9.180 1.00 22.12 H new ATOM 0 HB2 GLU A 50 18.017 17.192 -9.240 1.00 3.54 H new ATOM 0 HB3 GLU A 50 19.264 16.232 -8.469 1.00 3.54 H new ATOM 0 HG2 GLU A 50 18.330 16.736 -6.255 1.00 54.34 H new ATOM 0 HG3 GLU A 50 17.128 17.788 -6.975 1.00 54.34 H new ATOM 778 N LEU A 51 18.436 19.973 -6.775 1.00 72.23 N ATOM 779 CA LEU A 51 17.651 21.165 -6.488 1.00 55.41 C ATOM 780 C LEU A 51 18.437 22.421 -6.870 1.00 24.41 C ATOM 781 O LEU A 51 17.873 23.392 -7.379 1.00 62.31 O ATOM 782 CB LEU A 51 17.239 21.206 -5.014 1.00 14.10 C ATOM 783 CG LEU A 51 16.240 22.310 -4.644 1.00 34.30 C ATOM 784 CD1 LEU A 51 15.018 22.253 -5.547 1.00 63.41 C ATOM 785 CD2 LEU A 51 15.820 22.178 -3.188 1.00 30.24 C ATOM 0 H LEU A 51 18.775 19.475 -5.952 1.00 72.23 H new ATOM 0 HA LEU A 51 16.741 21.131 -7.087 1.00 55.41 H new ATOM 0 HB2 LEU A 51 16.805 20.242 -4.748 1.00 14.10 H new ATOM 0 HB3 LEU A 51 18.135 21.331 -4.406 1.00 14.10 H new ATOM 0 HG LEU A 51 16.730 23.274 -4.784 1.00 34.30 H new ATOM 0 HD11 LEU A 51 14.322 23.044 -5.268 1.00 63.41 H new ATOM 0 HD12 LEU A 51 15.325 22.389 -6.584 1.00 63.41 H new ATOM 0 HD13 LEU A 51 14.529 21.285 -5.437 1.00 63.41 H new ATOM 0 HD21 LEU A 51 15.111 22.968 -2.941 1.00 30.24 H new ATOM 0 HD22 LEU A 51 15.350 21.207 -3.031 1.00 30.24 H new ATOM 0 HD23 LEU A 51 16.697 22.264 -2.547 1.00 30.24 H new ATOM 797 N MET A 52 19.748 22.393 -6.637 1.00 34.31 N ATOM 798 CA MET A 52 20.626 23.475 -7.076 1.00 22.22 C ATOM 799 C MET A 52 20.739 23.469 -8.594 1.00 41.23 C ATOM 800 O MET A 52 20.747 24.517 -9.234 1.00 64.42 O ATOM 801 CB MET A 52 22.015 23.345 -6.447 1.00 43.15 C ATOM 802 CG MET A 52 22.034 23.617 -4.955 1.00 23.10 C ATOM 803 SD MET A 52 23.681 23.459 -4.242 1.00 2.50 S ATOM 804 CE MET A 52 23.356 23.955 -2.553 1.00 45.22 C ATOM 0 H MET A 52 20.224 21.635 -6.148 1.00 34.31 H new ATOM 0 HA MET A 52 20.192 24.420 -6.750 1.00 22.22 H new ATOM 0 HB2 MET A 52 22.395 22.340 -6.629 1.00 43.15 H new ATOM 0 HB3 MET A 52 22.695 24.037 -6.943 1.00 43.15 H new ATOM 0 HG2 MET A 52 21.656 24.622 -4.768 1.00 23.10 H new ATOM 0 HG3 MET A 52 21.358 22.924 -4.455 1.00 23.10 H new ATOM 0 HE1 MET A 52 24.300 24.117 -2.033 1.00 45.22 H new ATOM 0 HE2 MET A 52 22.777 24.878 -2.550 1.00 45.22 H new ATOM 0 HE3 MET A 52 22.793 23.172 -2.046 1.00 45.22 H new ATOM 814 N ARG A 53 20.813 22.269 -9.153 1.00 0.12 N ATOM 815 CA ARG A 53 20.831 22.070 -10.601 1.00 31.34 C ATOM 816 C ARG A 53 19.549 22.612 -11.237 1.00 53.14 C ATOM 817 O ARG A 53 19.563 23.125 -12.356 1.00 11.32 O ATOM 818 CB ARG A 53 20.994 20.575 -10.892 1.00 43.45 C ATOM 819 CG ARG A 53 20.802 20.167 -12.340 1.00 71.50 C ATOM 820 CD ARG A 53 20.972 18.665 -12.489 1.00 51.30 C ATOM 821 NE ARG A 53 20.494 18.170 -13.775 1.00 54.25 N ATOM 822 CZ ARG A 53 20.364 16.877 -14.066 1.00 53.43 C ATOM 823 NH1 ARG A 53 20.742 15.957 -13.189 1.00 52.52 N ATOM 824 NH2 ARG A 53 19.866 16.507 -15.235 1.00 40.44 N ATOM 0 H ARG A 53 20.862 21.403 -8.617 1.00 0.12 H new ATOM 0 HA ARG A 53 21.668 22.617 -11.035 1.00 31.34 H new ATOM 0 HB2 ARG A 53 21.991 20.268 -10.575 1.00 43.45 H new ATOM 0 HB3 ARG A 53 20.281 20.024 -10.280 1.00 43.45 H new ATOM 0 HG2 ARG A 53 19.810 20.464 -12.680 1.00 71.50 H new ATOM 0 HG3 ARG A 53 21.524 20.686 -12.970 1.00 71.50 H new ATOM 0 HD2 ARG A 53 22.025 18.409 -12.375 1.00 51.30 H new ATOM 0 HD3 ARG A 53 20.433 18.161 -11.687 1.00 51.30 H new ATOM 0 HE ARG A 53 20.245 18.852 -14.491 1.00 54.25 H new ATOM 0 HH11 ARG A 53 21.133 16.239 -12.290 1.00 52.52 H new ATOM 0 HH12 ARG A 53 20.642 14.967 -13.413 1.00 52.52 H new ATOM 0 HH21 ARG A 53 19.581 17.213 -15.914 1.00 40.44 H new ATOM 0 HH22 ARG A 53 19.767 15.516 -15.457 1.00 40.44 H new ATOM 838 N LEU A 54 18.441 22.485 -10.515 1.00 71.25 N ATOM 839 CA LEU A 54 17.165 23.034 -10.958 1.00 62.34 C ATOM 840 C LEU A 54 17.202 24.561 -10.906 1.00 22.45 C ATOM 841 O LEU A 54 16.534 25.235 -11.690 1.00 5.15 O ATOM 842 CB LEU A 54 16.026 22.500 -10.082 1.00 64.53 C ATOM 843 CG LEU A 54 14.617 22.939 -10.493 1.00 41.12 C ATOM 844 CD1 LEU A 54 14.273 22.413 -11.878 1.00 41.11 C ATOM 845 CD2 LEU A 54 13.595 22.464 -9.471 1.00 13.34 C ATOM 0 H LEU A 54 18.401 22.004 -9.616 1.00 71.25 H new ATOM 0 HA LEU A 54 16.988 22.723 -11.988 1.00 62.34 H new ATOM 0 HB2 LEU A 54 16.065 21.411 -10.090 1.00 64.53 H new ATOM 0 HB3 LEU A 54 16.202 22.818 -9.054 1.00 64.53 H new ATOM 0 HG LEU A 54 14.592 24.028 -10.527 1.00 41.12 H new ATOM 0 HD11 LEU A 54 13.268 22.736 -12.151 1.00 41.11 H new ATOM 0 HD12 LEU A 54 14.988 22.802 -12.603 1.00 41.11 H new ATOM 0 HD13 LEU A 54 14.315 21.324 -11.874 1.00 41.11 H new ATOM 0 HD21 LEU A 54 12.599 22.784 -9.777 1.00 13.34 H new ATOM 0 HD22 LEU A 54 13.623 21.376 -9.407 1.00 13.34 H new ATOM 0 HD23 LEU A 54 13.830 22.891 -8.496 1.00 13.34 H new ATOM 857 N GLY A 55 17.987 25.092 -9.976 1.00 41.21 N ATOM 858 CA GLY A 55 18.159 26.528 -9.870 1.00 63.30 C ATOM 859 C GLY A 55 17.252 27.153 -8.830 1.00 62.12 C ATOM 860 O GLY A 55 17.137 28.373 -8.751 1.00 34.14 O ATOM 0 H GLY A 55 18.511 24.549 -9.289 1.00 41.21 H new ATOM 0 HA2 GLY A 55 19.197 26.747 -9.619 1.00 63.30 H new ATOM 0 HA3 GLY A 55 17.962 26.985 -10.839 1.00 63.30 H new ATOM 864 N ASP A 56 16.625 26.319 -8.011 1.00 0.02 N ATOM 865 CA ASP A 56 15.661 26.801 -7.025 1.00 15.42 C ATOM 866 C ASP A 56 16.299 26.849 -5.638 1.00 64.31 C ATOM 867 O ASP A 56 15.623 26.992 -4.623 1.00 71.51 O ATOM 868 CB ASP A 56 14.427 25.892 -7.016 1.00 73.02 C ATOM 869 CG ASP A 56 13.173 26.608 -6.549 1.00 5.42 C ATOM 870 OD1 ASP A 56 12.710 27.524 -7.265 1.00 72.25 O ATOM 871 OD2 ASP A 56 12.614 26.234 -5.499 1.00 0.31 O ATOM 0 H ASP A 56 16.764 25.309 -8.008 1.00 0.02 H new ATOM 0 HA ASP A 56 15.352 27.811 -7.296 1.00 15.42 H new ATOM 0 HB2 ASP A 56 14.263 25.499 -8.020 1.00 73.02 H new ATOM 0 HB3 ASP A 56 14.615 25.038 -6.366 1.00 73.02 H new ATOM 876 N PHE A 57 17.619 26.751 -5.611 1.00 41.20 N ATOM 877 CA PHE A 57 18.366 26.732 -4.363 1.00 0.01 C ATOM 878 C PHE A 57 19.347 27.903 -4.348 1.00 54.22 C ATOM 879 O PHE A 57 19.698 28.433 -5.404 1.00 53.24 O ATOM 880 CB PHE A 57 19.124 25.403 -4.246 1.00 1.34 C ATOM 881 CG PHE A 57 19.349 24.905 -2.837 1.00 74.43 C ATOM 882 CD1 PHE A 57 20.095 25.633 -1.922 1.00 34.42 C ATOM 883 CD2 PHE A 57 18.823 23.688 -2.443 1.00 53.03 C ATOM 884 CE1 PHE A 57 20.307 25.154 -0.644 1.00 53.11 C ATOM 885 CE2 PHE A 57 19.032 23.205 -1.167 1.00 74.50 C ATOM 886 CZ PHE A 57 19.774 23.939 -0.265 1.00 15.54 C ATOM 0 H PHE A 57 18.199 26.683 -6.447 1.00 41.20 H new ATOM 0 HA PHE A 57 17.684 26.827 -3.518 1.00 0.01 H new ATOM 0 HB2 PHE A 57 18.574 24.641 -4.799 1.00 1.34 H new ATOM 0 HB3 PHE A 57 20.093 25.513 -4.733 1.00 1.34 H new ATOM 0 HD1 PHE A 57 20.515 26.585 -2.212 1.00 34.42 H new ATOM 0 HD2 PHE A 57 18.241 23.108 -3.143 1.00 53.03 H new ATOM 0 HE1 PHE A 57 20.890 25.731 0.059 1.00 53.11 H new ATOM 0 HE2 PHE A 57 18.615 22.253 -0.875 1.00 74.50 H new ATOM 0 HZ PHE A 57 19.937 23.564 0.735 1.00 15.54 H new ATOM 896 N ASP A 58 19.777 28.310 -3.161 1.00 55.52 N ATOM 897 CA ASP A 58 20.792 29.350 -3.027 1.00 42.31 C ATOM 898 C ASP A 58 22.139 28.793 -3.490 1.00 31.30 C ATOM 899 O ASP A 58 22.306 27.574 -3.597 1.00 23.35 O ATOM 900 CB ASP A 58 20.871 29.825 -1.570 1.00 72.43 C ATOM 901 CG ASP A 58 21.591 31.149 -1.409 1.00 71.31 C ATOM 902 OD1 ASP A 58 20.924 32.205 -1.483 1.00 3.53 O ATOM 903 OD2 ASP A 58 22.819 31.147 -1.197 1.00 11.45 O ATOM 0 H ASP A 58 19.439 27.936 -2.275 1.00 55.52 H new ATOM 0 HA ASP A 58 20.528 30.207 -3.647 1.00 42.31 H new ATOM 0 HB2 ASP A 58 19.861 29.918 -1.170 1.00 72.43 H new ATOM 0 HB3 ASP A 58 21.381 29.067 -0.975 1.00 72.43 H new ATOM 908 N GLN A 59 23.089 29.663 -3.782 1.00 65.13 N ATOM 909 CA GLN A 59 24.372 29.221 -4.309 1.00 61.52 C ATOM 910 C GLN A 59 25.401 29.009 -3.196 1.00 42.02 C ATOM 911 O GLN A 59 26.192 29.898 -2.873 1.00 22.20 O ATOM 912 CB GLN A 59 24.915 30.190 -5.377 1.00 52.04 C ATOM 913 CG GLN A 59 24.942 31.658 -4.967 1.00 33.10 C ATOM 914 CD GLN A 59 23.588 32.334 -5.083 1.00 42.12 C ATOM 915 OE1 GLN A 59 22.799 32.340 -4.143 1.00 43.20 O ATOM 916 NE2 GLN A 59 23.314 32.914 -6.238 1.00 63.24 N ATOM 0 H GLN A 59 23.000 30.672 -3.665 1.00 65.13 H new ATOM 0 HA GLN A 59 24.198 28.258 -4.789 1.00 61.52 H new ATOM 0 HB2 GLN A 59 25.927 29.884 -5.641 1.00 52.04 H new ATOM 0 HB3 GLN A 59 24.307 30.092 -6.277 1.00 52.04 H new ATOM 0 HG2 GLN A 59 25.293 31.735 -3.938 1.00 33.10 H new ATOM 0 HG3 GLN A 59 25.661 32.190 -5.590 1.00 33.10 H new ATOM 0 HE21 GLN A 59 23.996 32.888 -6.996 1.00 63.24 H new ATOM 0 HE22 GLN A 59 22.421 33.388 -6.371 1.00 63.24 H new ATOM 925 N ILE A 60 25.361 27.827 -2.595 1.00 73.33 N ATOM 926 CA ILE A 60 26.352 27.420 -1.598 1.00 52.00 C ATOM 927 C ILE A 60 26.764 25.973 -1.850 1.00 62.32 C ATOM 928 O ILE A 60 26.305 25.360 -2.814 1.00 61.30 O ATOM 929 CB ILE A 60 25.848 27.555 -0.132 1.00 22.03 C ATOM 930 CG1 ILE A 60 24.627 26.655 0.142 1.00 74.12 C ATOM 931 CG2 ILE A 60 25.531 29.006 0.200 1.00 12.40 C ATOM 932 CD1 ILE A 60 23.320 27.166 -0.432 1.00 34.21 C ATOM 0 H ILE A 60 24.646 27.124 -2.781 1.00 73.33 H new ATOM 0 HA ILE A 60 27.199 28.097 -1.709 1.00 52.00 H new ATOM 0 HB ILE A 60 26.655 27.218 0.519 1.00 22.03 H new ATOM 0 HG12 ILE A 60 24.825 25.664 -0.267 1.00 74.12 H new ATOM 0 HG13 ILE A 60 24.514 26.538 1.220 1.00 74.12 H new ATOM 0 HG21 ILE A 60 25.181 29.075 1.230 1.00 12.40 H new ATOM 0 HG22 ILE A 60 26.430 29.611 0.081 1.00 12.40 H new ATOM 0 HG23 ILE A 60 24.755 29.372 -0.473 1.00 12.40 H new ATOM 0 HD11 ILE A 60 22.519 26.468 -0.189 1.00 34.21 H new ATOM 0 HD12 ILE A 60 23.092 28.143 -0.005 1.00 34.21 H new ATOM 0 HD13 ILE A 60 23.408 27.255 -1.515 1.00 34.21 H new ATOM 944 N ASP A 61 27.628 25.429 -1.002 1.00 74.15 N ATOM 945 CA ASP A 61 28.040 24.037 -1.145 1.00 11.11 C ATOM 946 C ASP A 61 27.505 23.201 0.011 1.00 32.54 C ATOM 947 O ASP A 61 27.825 23.455 1.173 1.00 44.33 O ATOM 948 CB ASP A 61 29.563 23.912 -1.193 1.00 43.43 C ATOM 949 CG ASP A 61 30.009 22.593 -1.797 1.00 44.22 C ATOM 950 OD1 ASP A 61 29.810 21.540 -1.158 1.00 63.43 O ATOM 951 OD2 ASP A 61 30.567 22.605 -2.919 1.00 51.15 O ATOM 0 H ASP A 61 28.053 25.923 -0.217 1.00 74.15 H new ATOM 0 HA ASP A 61 27.627 23.669 -2.084 1.00 11.11 H new ATOM 0 HB2 ASP A 61 29.976 24.735 -1.776 1.00 43.43 H new ATOM 0 HB3 ASP A 61 29.966 24.003 -0.184 1.00 43.43 H new ATOM 956 N ILE A 62 26.683 22.218 -0.313 1.00 1.14 N ATOM 957 CA ILE A 62 26.147 21.306 0.688 1.00 44.54 C ATOM 958 C ILE A 62 27.012 20.054 0.764 1.00 35.03 C ATOM 959 O ILE A 62 27.211 19.483 1.840 1.00 21.22 O ATOM 960 CB ILE A 62 24.688 20.905 0.363 1.00 53.15 C ATOM 961 CG1 ILE A 62 23.786 22.140 0.338 1.00 34.35 C ATOM 962 CG2 ILE A 62 24.164 19.886 1.367 1.00 21.32 C ATOM 963 CD1 ILE A 62 23.732 22.884 1.653 1.00 32.22 C ATOM 0 H ILE A 62 26.370 22.029 -1.265 1.00 1.14 H new ATOM 0 HA ILE A 62 26.155 21.821 1.648 1.00 44.54 H new ATOM 0 HB ILE A 62 24.677 20.444 -0.625 1.00 53.15 H new ATOM 0 HG12 ILE A 62 24.137 22.819 -0.439 1.00 34.35 H new ATOM 0 HG13 ILE A 62 22.776 21.835 0.062 1.00 34.35 H new ATOM 0 HG21 ILE A 62 23.137 19.622 1.115 1.00 21.32 H new ATOM 0 HG22 ILE A 62 24.787 18.992 1.336 1.00 21.32 H new ATOM 0 HG23 ILE A 62 24.193 20.314 2.369 1.00 21.32 H new ATOM 0 HD11 ILE A 62 23.073 23.747 1.556 1.00 32.22 H new ATOM 0 HD12 ILE A 62 23.351 22.222 2.430 1.00 32.22 H new ATOM 0 HD13 ILE A 62 24.733 23.221 1.922 1.00 32.22 H new ATOM 975 N GLY A 63 27.551 19.666 -0.385 1.00 31.43 N ATOM 976 CA GLY A 63 28.333 18.449 -0.487 1.00 52.11 C ATOM 977 C GLY A 63 29.503 18.418 0.475 1.00 31.22 C ATOM 978 O GLY A 63 29.732 17.411 1.144 1.00 14.54 O ATOM 0 H GLY A 63 27.458 20.182 -1.260 1.00 31.43 H new ATOM 0 HA2 GLY A 63 27.688 17.592 -0.295 1.00 52.11 H new ATOM 0 HA3 GLY A 63 28.705 18.346 -1.507 1.00 52.11 H new ATOM 982 N VAL A 64 30.236 19.521 0.553 1.00 13.42 N ATOM 983 CA VAL A 64 31.395 19.620 1.433 1.00 34.32 C ATOM 984 C VAL A 64 31.014 19.400 2.900 1.00 53.31 C ATOM 985 O VAL A 64 31.732 18.735 3.639 1.00 3.43 O ATOM 986 CB VAL A 64 32.108 20.987 1.267 1.00 54.13 C ATOM 987 CG1 VAL A 64 33.131 21.218 2.372 1.00 30.14 C ATOM 988 CG2 VAL A 64 32.784 21.066 -0.091 1.00 21.11 C ATOM 0 H VAL A 64 30.047 20.366 0.014 1.00 13.42 H new ATOM 0 HA VAL A 64 32.085 18.828 1.141 1.00 34.32 H new ATOM 0 HB VAL A 64 31.351 21.768 1.338 1.00 54.13 H new ATOM 0 HG11 VAL A 64 33.612 22.185 2.226 1.00 30.14 H new ATOM 0 HG12 VAL A 64 32.630 21.205 3.340 1.00 30.14 H new ATOM 0 HG13 VAL A 64 33.883 20.430 2.342 1.00 30.14 H new ATOM 0 HG21 VAL A 64 33.281 22.031 -0.195 1.00 21.11 H new ATOM 0 HG22 VAL A 64 33.521 20.267 -0.178 1.00 21.11 H new ATOM 0 HG23 VAL A 64 32.036 20.957 -0.877 1.00 21.11 H new ATOM 998 N VAL A 65 29.863 19.921 3.303 1.00 25.53 N ATOM 999 CA VAL A 65 29.451 19.854 4.700 1.00 41.35 C ATOM 1000 C VAL A 65 28.936 18.459 5.060 1.00 15.00 C ATOM 1001 O VAL A 65 29.208 17.946 6.142 1.00 61.02 O ATOM 1002 CB VAL A 65 28.358 20.895 5.023 1.00 41.42 C ATOM 1003 CG1 VAL A 65 28.153 21.002 6.527 1.00 52.00 C ATOM 1004 CG2 VAL A 65 28.705 22.253 4.426 1.00 63.33 C ATOM 0 H VAL A 65 29.201 20.392 2.687 1.00 25.53 H new ATOM 0 HA VAL A 65 30.336 20.076 5.296 1.00 41.35 H new ATOM 0 HB VAL A 65 27.424 20.560 4.572 1.00 41.42 H new ATOM 0 HG11 VAL A 65 27.379 21.740 6.737 1.00 52.00 H new ATOM 0 HG12 VAL A 65 27.847 20.033 6.922 1.00 52.00 H new ATOM 0 HG13 VAL A 65 29.086 21.309 7.000 1.00 52.00 H new ATOM 0 HG21 VAL A 65 27.919 22.968 4.668 1.00 63.33 H new ATOM 0 HG22 VAL A 65 29.652 22.601 4.839 1.00 63.33 H new ATOM 0 HG23 VAL A 65 28.793 22.163 3.343 1.00 63.33 H new ATOM 1014 N ILE A 66 28.203 17.839 4.144 1.00 60.32 N ATOM 1015 CA ILE A 66 27.611 16.530 4.412 1.00 21.23 C ATOM 1016 C ILE A 66 28.623 15.400 4.236 1.00 32.33 C ATOM 1017 O ILE A 66 28.362 14.253 4.608 1.00 44.40 O ATOM 1018 CB ILE A 66 26.385 16.263 3.516 1.00 4.44 C ATOM 1019 CG1 ILE A 66 26.769 16.359 2.040 1.00 1.10 C ATOM 1020 CG2 ILE A 66 25.268 17.239 3.851 1.00 30.33 C ATOM 1021 CD1 ILE A 66 25.599 16.209 1.097 1.00 22.24 C ATOM 0 H ILE A 66 28.004 18.215 3.217 1.00 60.32 H new ATOM 0 HA ILE A 66 27.288 16.551 5.453 1.00 21.23 H new ATOM 0 HB ILE A 66 26.026 15.252 3.705 1.00 4.44 H new ATOM 0 HG12 ILE A 66 27.248 17.321 1.860 1.00 1.10 H new ATOM 0 HG13 ILE A 66 27.507 15.589 1.815 1.00 1.10 H new ATOM 0 HG21 ILE A 66 24.408 17.041 3.212 1.00 30.33 H new ATOM 0 HG22 ILE A 66 24.980 17.118 4.895 1.00 30.33 H new ATOM 0 HG23 ILE A 66 25.615 18.259 3.686 1.00 30.33 H new ATOM 0 HD11 ILE A 66 25.949 16.288 0.068 1.00 22.24 H new ATOM 0 HD12 ILE A 66 25.133 15.235 1.248 1.00 22.24 H new ATOM 0 HD13 ILE A 66 24.870 16.995 1.294 1.00 22.24 H new ATOM 1033 N THR A 67 29.772 15.714 3.660 1.00 14.14 N ATOM 1034 CA THR A 67 30.837 14.734 3.532 1.00 50.13 C ATOM 1035 C THR A 67 31.977 15.070 4.488 1.00 71.42 C ATOM 1036 O THR A 67 32.919 14.294 4.657 1.00 32.31 O ATOM 1037 CB THR A 67 31.362 14.643 2.084 1.00 41.24 C ATOM 1038 OG1 THR A 67 31.822 15.925 1.640 1.00 22.32 O ATOM 1039 CG2 THR A 67 30.273 14.132 1.142 1.00 74.34 C ATOM 0 H THR A 67 29.990 16.634 3.276 1.00 14.14 H new ATOM 0 HA THR A 67 30.424 13.760 3.793 1.00 50.13 H new ATOM 0 HB THR A 67 32.194 13.939 2.070 1.00 41.24 H new ATOM 0 HG1 THR A 67 31.108 16.373 1.140 1.00 22.32 H new ATOM 0 HG21 THR A 67 30.667 14.076 0.127 1.00 74.34 H new ATOM 0 HG22 THR A 67 29.951 13.141 1.461 1.00 74.34 H new ATOM 0 HG23 THR A 67 29.423 14.814 1.165 1.00 74.34 H new ATOM 1047 N HIS A 68 31.867 16.229 5.124 1.00 62.10 N ATOM 1048 CA HIS A 68 32.847 16.680 6.098 1.00 75.44 C ATOM 1049 C HIS A 68 32.159 17.562 7.134 1.00 63.13 C ATOM 1050 O HIS A 68 32.038 18.774 6.949 1.00 34.35 O ATOM 1051 CB HIS A 68 33.978 17.454 5.408 1.00 73.14 C ATOM 1052 CG HIS A 68 35.141 17.784 6.298 1.00 52.01 C ATOM 1053 ND1 HIS A 68 36.414 17.321 6.063 1.00 65.54 N ATOM 1054 CD2 HIS A 68 35.224 18.548 7.416 1.00 52.12 C ATOM 1055 CE1 HIS A 68 37.227 17.779 6.994 1.00 12.54 C ATOM 1056 NE2 HIS A 68 36.534 18.528 7.825 1.00 54.52 N ATOM 0 H HIS A 68 31.096 16.881 4.978 1.00 62.10 H new ATOM 0 HA HIS A 68 33.283 15.812 6.593 1.00 75.44 H new ATOM 0 HB2 HIS A 68 34.339 16.868 4.563 1.00 73.14 H new ATOM 0 HB3 HIS A 68 33.572 18.381 5.003 1.00 73.14 H new ATOM 0 HD2 HIS A 68 34.411 19.074 7.895 1.00 52.12 H new ATOM 0 HE1 HIS A 68 38.285 17.574 7.063 1.00 12.54 H new ATOM 0 HE2 HIS A 68 36.909 19.014 8.640 1.00 54.52 H new ATOM 1065 N PHE A 69 31.692 16.948 8.208 1.00 30.31 N ATOM 1066 CA PHE A 69 30.988 17.676 9.252 1.00 22.22 C ATOM 1067 C PHE A 69 31.969 18.446 10.118 1.00 3.34 C ATOM 1068 O PHE A 69 32.920 17.877 10.661 1.00 14.12 O ATOM 1069 CB PHE A 69 30.150 16.722 10.105 1.00 5.11 C ATOM 1070 CG PHE A 69 28.945 16.182 9.385 1.00 12.44 C ATOM 1071 CD1 PHE A 69 29.034 15.032 8.618 1.00 70.53 C ATOM 1072 CD2 PHE A 69 27.725 16.833 9.472 1.00 75.14 C ATOM 1073 CE1 PHE A 69 27.927 14.542 7.951 1.00 1.20 C ATOM 1074 CE2 PHE A 69 26.615 16.346 8.810 1.00 11.41 C ATOM 1075 CZ PHE A 69 26.716 15.199 8.046 1.00 61.22 C ATOM 0 H PHE A 69 31.787 15.947 8.381 1.00 30.31 H new ATOM 0 HA PHE A 69 30.314 18.390 8.778 1.00 22.22 H new ATOM 0 HB2 PHE A 69 30.775 15.889 10.427 1.00 5.11 H new ATOM 0 HB3 PHE A 69 29.824 17.242 11.005 1.00 5.11 H new ATOM 0 HD1 PHE A 69 29.978 14.513 8.540 1.00 70.53 H new ATOM 0 HD2 PHE A 69 27.641 17.732 10.065 1.00 75.14 H new ATOM 0 HE1 PHE A 69 28.009 13.645 7.355 1.00 1.20 H new ATOM 0 HE2 PHE A 69 25.669 16.861 8.889 1.00 11.41 H new ATOM 0 HZ PHE A 69 25.850 14.817 7.525 1.00 61.22 H new ATOM 1085 N THR A 70 31.746 19.743 10.226 1.00 73.34 N ATOM 1086 CA THR A 70 32.628 20.608 10.987 1.00 1.43 C ATOM 1087 C THR A 70 32.243 20.626 12.462 1.00 12.24 C ATOM 1088 O THR A 70 31.161 20.173 12.837 1.00 70.15 O ATOM 1089 CB THR A 70 32.603 22.045 10.429 1.00 44.13 C ATOM 1090 OG1 THR A 70 31.257 22.542 10.410 1.00 53.25 O ATOM 1091 CG2 THR A 70 33.184 22.087 9.021 1.00 54.12 C ATOM 0 H THR A 70 30.957 20.223 9.793 1.00 73.34 H new ATOM 0 HA THR A 70 33.637 20.208 10.894 1.00 1.43 H new ATOM 0 HB THR A 70 33.212 22.674 11.078 1.00 44.13 H new ATOM 0 HG1 THR A 70 30.691 21.974 10.973 1.00 53.25 H new ATOM 0 HG21 THR A 70 33.157 23.110 8.646 1.00 54.12 H new ATOM 0 HG22 THR A 70 34.216 21.736 9.042 1.00 54.12 H new ATOM 0 HG23 THR A 70 32.596 21.445 8.365 1.00 54.12 H new ATOM 1099 N ASP A 71 33.140 21.128 13.295 1.00 4.40 N ATOM 1100 CA ASP A 71 32.857 21.294 14.717 1.00 51.42 C ATOM 1101 C ASP A 71 32.083 22.585 14.960 1.00 70.43 C ATOM 1102 O ASP A 71 31.294 22.691 15.903 1.00 25.34 O ATOM 1103 CB ASP A 71 34.161 21.305 15.520 1.00 3.12 C ATOM 1104 CG ASP A 71 33.937 21.660 16.974 1.00 32.33 C ATOM 1105 OD1 ASP A 71 33.371 20.830 17.710 1.00 55.22 O ATOM 1106 OD2 ASP A 71 34.329 22.771 17.388 1.00 43.24 O ATOM 0 H ASP A 71 34.073 21.429 13.013 1.00 4.40 H new ATOM 0 HA ASP A 71 32.246 20.454 15.047 1.00 51.42 H new ATOM 0 HB2 ASP A 71 34.633 20.324 15.456 1.00 3.12 H new ATOM 0 HB3 ASP A 71 34.853 22.021 15.076 1.00 3.12 H new ATOM 1111 N GLU A 72 32.317 23.561 14.094 1.00 53.51 N ATOM 1112 CA GLU A 72 31.698 24.871 14.225 1.00 25.43 C ATOM 1113 C GLU A 72 30.206 24.812 13.907 1.00 33.41 C ATOM 1114 O GLU A 72 29.387 25.391 14.621 1.00 73.40 O ATOM 1115 CB GLU A 72 32.399 25.852 13.287 1.00 22.45 C ATOM 1116 CG GLU A 72 31.928 27.287 13.415 1.00 12.13 C ATOM 1117 CD GLU A 72 32.660 28.205 12.463 1.00 21.13 C ATOM 1118 OE1 GLU A 72 33.813 28.580 12.763 1.00 21.12 O ATOM 1119 OE2 GLU A 72 32.097 28.541 11.405 1.00 34.31 O ATOM 0 H GLU A 72 32.935 23.468 13.288 1.00 53.51 H new ATOM 0 HA GLU A 72 31.803 25.207 15.257 1.00 25.43 H new ATOM 0 HB2 GLU A 72 33.471 25.816 13.479 1.00 22.45 H new ATOM 0 HB3 GLU A 72 32.248 25.523 12.259 1.00 22.45 H new ATOM 0 HG2 GLU A 72 30.857 27.337 13.217 1.00 12.13 H new ATOM 0 HG3 GLU A 72 32.079 27.629 14.439 1.00 12.13 H new ATOM 1126 N LEU A 73 29.858 24.094 12.850 1.00 73.25 N ATOM 1127 CA LEU A 73 28.472 23.973 12.426 1.00 13.42 C ATOM 1128 C LEU A 73 28.170 22.524 12.056 1.00 3.21 C ATOM 1129 O LEU A 73 29.087 21.764 11.747 1.00 21.12 O ATOM 1130 CB LEU A 73 28.206 24.893 11.231 1.00 45.25 C ATOM 1131 CG LEU A 73 28.291 26.394 11.522 1.00 34.40 C ATOM 1132 CD1 LEU A 73 28.178 27.196 10.236 1.00 1.43 C ATOM 1133 CD2 LEU A 73 27.202 26.809 12.500 1.00 14.24 C ATOM 0 H LEU A 73 30.521 23.583 12.267 1.00 73.25 H new ATOM 0 HA LEU A 73 27.820 24.271 13.247 1.00 13.42 H new ATOM 0 HB2 LEU A 73 28.920 24.652 10.444 1.00 45.25 H new ATOM 0 HB3 LEU A 73 27.213 24.672 10.839 1.00 45.25 H new ATOM 0 HG LEU A 73 29.261 26.600 11.973 1.00 34.40 H new ATOM 0 HD11 LEU A 73 28.241 28.260 10.464 1.00 1.43 H new ATOM 0 HD12 LEU A 73 28.990 26.921 9.563 1.00 1.43 H new ATOM 0 HD13 LEU A 73 27.222 26.983 9.757 1.00 1.43 H new ATOM 0 HD21 LEU A 73 27.277 27.879 12.696 1.00 14.24 H new ATOM 0 HD22 LEU A 73 26.225 26.586 12.072 1.00 14.24 H new ATOM 0 HD23 LEU A 73 27.323 26.260 13.434 1.00 14.24 H new ATOM 1145 N PRO A 74 26.888 22.115 12.054 1.00 15.30 N ATOM 1146 CA PRO A 74 25.751 22.998 12.325 1.00 74.21 C ATOM 1147 C PRO A 74 25.484 23.183 13.823 1.00 3.21 C ATOM 1148 O PRO A 74 26.240 22.695 14.662 1.00 20.44 O ATOM 1149 CB PRO A 74 24.600 22.252 11.657 1.00 52.45 C ATOM 1150 CG PRO A 74 24.948 20.814 11.823 1.00 33.51 C ATOM 1151 CD PRO A 74 26.452 20.729 11.793 1.00 1.34 C ATOM 0 HA PRO A 74 25.910 24.011 11.955 1.00 74.21 H new ATOM 0 HB2 PRO A 74 23.646 22.487 12.129 1.00 52.45 H new ATOM 0 HB3 PRO A 74 24.510 22.520 10.604 1.00 52.45 H new ATOM 0 HG2 PRO A 74 24.557 20.427 12.764 1.00 33.51 H new ATOM 0 HG3 PRO A 74 24.510 20.215 11.025 1.00 33.51 H new ATOM 0 HD2 PRO A 74 26.829 20.042 12.550 1.00 1.34 H new ATOM 0 HD3 PRO A 74 26.813 20.371 10.829 1.00 1.34 H new ATOM 1159 N SER A 75 24.404 23.885 14.151 1.00 34.34 N ATOM 1160 CA SER A 75 24.057 24.150 15.542 1.00 31.40 C ATOM 1161 C SER A 75 22.630 23.682 15.842 1.00 52.02 C ATOM 1162 O SER A 75 21.738 23.816 15.001 1.00 0.30 O ATOM 1163 CB SER A 75 24.198 25.645 15.838 1.00 31.21 C ATOM 1164 OG SER A 75 25.506 26.104 15.534 1.00 22.13 O ATOM 0 H SER A 75 23.754 24.281 13.472 1.00 34.34 H new ATOM 0 HA SER A 75 24.741 23.594 16.184 1.00 31.40 H new ATOM 0 HB2 SER A 75 23.468 26.205 15.254 1.00 31.21 H new ATOM 0 HB3 SER A 75 23.978 25.833 16.889 1.00 31.21 H new ATOM 0 HG SER A 75 25.570 27.062 15.730 1.00 22.13 H new ATOM 1170 N PRO A 76 22.405 23.119 17.041 1.00 45.34 N ATOM 1171 CA PRO A 76 21.084 22.626 17.464 1.00 5.21 C ATOM 1172 C PRO A 76 19.980 23.674 17.319 1.00 44.52 C ATOM 1173 O PRO A 76 18.929 23.396 16.741 1.00 51.42 O ATOM 1174 CB PRO A 76 21.293 22.270 18.936 1.00 72.21 C ATOM 1175 CG PRO A 76 22.747 21.973 19.048 1.00 41.55 C ATOM 1176 CD PRO A 76 23.430 22.892 18.074 1.00 65.15 C ATOM 0 HA PRO A 76 20.753 21.790 16.848 1.00 5.21 H new ATOM 0 HB2 PRO A 76 21.006 23.095 19.588 1.00 72.21 H new ATOM 0 HB3 PRO A 76 20.689 21.410 19.225 1.00 72.21 H new ATOM 0 HG2 PRO A 76 23.104 22.145 20.063 1.00 41.55 H new ATOM 0 HG3 PRO A 76 22.952 20.929 18.810 1.00 41.55 H new ATOM 0 HD2 PRO A 76 23.736 23.825 18.548 1.00 65.15 H new ATOM 0 HD3 PRO A 76 24.328 22.438 17.656 1.00 65.15 H new ATOM 1184 N GLU A 77 20.228 24.877 17.827 1.00 41.22 N ATOM 1185 CA GLU A 77 19.243 25.959 17.771 1.00 22.44 C ATOM 1186 C GLU A 77 18.947 26.340 16.323 1.00 43.15 C ATOM 1187 O GLU A 77 17.837 26.748 15.981 1.00 12.42 O ATOM 1188 CB GLU A 77 19.764 27.176 18.536 1.00 61.33 C ATOM 1189 CG GLU A 77 18.774 28.324 18.628 1.00 22.41 C ATOM 1190 CD GLU A 77 19.368 29.538 19.306 1.00 43.51 C ATOM 1191 OE1 GLU A 77 19.613 29.480 20.528 1.00 23.01 O ATOM 1192 OE2 GLU A 77 19.608 30.551 18.618 1.00 3.44 O ATOM 0 H GLU A 77 21.104 25.131 18.284 1.00 41.22 H new ATOM 0 HA GLU A 77 18.319 25.613 18.234 1.00 22.44 H new ATOM 0 HB2 GLU A 77 20.039 26.867 19.544 1.00 61.33 H new ATOM 0 HB3 GLU A 77 20.673 27.533 18.053 1.00 61.33 H new ATOM 0 HG2 GLU A 77 18.442 28.596 17.626 1.00 22.41 H new ATOM 0 HG3 GLU A 77 17.892 27.998 19.179 1.00 22.41 H new ATOM 1199 N ASP A 78 19.957 26.192 15.480 1.00 64.10 N ATOM 1200 CA ASP A 78 19.832 26.489 14.060 1.00 20.24 C ATOM 1201 C ASP A 78 18.874 25.485 13.420 1.00 23.41 C ATOM 1202 O ASP A 78 17.950 25.849 12.673 1.00 70.25 O ATOM 1203 CB ASP A 78 21.215 26.406 13.409 1.00 74.32 C ATOM 1204 CG ASP A 78 21.364 27.317 12.216 1.00 33.44 C ATOM 1205 OD1 ASP A 78 21.574 28.531 12.418 1.00 35.31 O ATOM 1206 OD2 ASP A 78 21.280 26.833 11.075 1.00 54.10 O ATOM 0 H ASP A 78 20.882 25.864 15.758 1.00 64.10 H new ATOM 0 HA ASP A 78 19.434 27.494 13.916 1.00 20.24 H new ATOM 0 HB2 ASP A 78 21.974 26.660 14.149 1.00 74.32 H new ATOM 0 HB3 ASP A 78 21.403 25.378 13.099 1.00 74.32 H new ATOM 1211 N VAL A 79 19.083 24.219 13.764 1.00 70.42 N ATOM 1212 CA VAL A 79 18.223 23.137 13.307 1.00 65.40 C ATOM 1213 C VAL A 79 16.793 23.324 13.819 1.00 5.45 C ATOM 1214 O VAL A 79 15.833 23.000 13.125 1.00 24.20 O ATOM 1215 CB VAL A 79 18.762 21.759 13.757 1.00 45.54 C ATOM 1216 CG1 VAL A 79 17.879 20.632 13.240 1.00 25.41 C ATOM 1217 CG2 VAL A 79 20.198 21.568 13.291 1.00 2.33 C ATOM 0 H VAL A 79 19.850 23.916 14.365 1.00 70.42 H new ATOM 0 HA VAL A 79 18.217 23.167 12.217 1.00 65.40 H new ATOM 0 HB VAL A 79 18.744 21.730 14.846 1.00 45.54 H new ATOM 0 HG11 VAL A 79 18.281 19.674 13.571 1.00 25.41 H new ATOM 0 HG12 VAL A 79 16.868 20.755 13.628 1.00 25.41 H new ATOM 0 HG13 VAL A 79 17.855 20.659 12.151 1.00 25.41 H new ATOM 0 HG21 VAL A 79 20.560 20.593 13.617 1.00 2.33 H new ATOM 0 HG22 VAL A 79 20.238 21.625 12.203 1.00 2.33 H new ATOM 0 HG23 VAL A 79 20.826 22.349 13.718 1.00 2.33 H new ATOM 1227 N GLU A 80 16.651 23.858 15.029 1.00 62.32 N ATOM 1228 CA GLU A 80 15.330 24.137 15.583 1.00 15.51 C ATOM 1229 C GLU A 80 14.609 25.191 14.743 1.00 42.51 C ATOM 1230 O GLU A 80 13.409 25.079 14.486 1.00 73.11 O ATOM 1231 CB GLU A 80 15.433 24.604 17.036 1.00 72.14 C ATOM 1232 CG GLU A 80 16.015 23.559 17.976 1.00 41.52 C ATOM 1233 CD GLU A 80 16.019 24.016 19.419 1.00 51.12 C ATOM 1234 OE1 GLU A 80 16.789 24.941 19.753 1.00 23.22 O ATOM 1235 OE2 GLU A 80 15.256 23.451 20.230 1.00 11.14 O ATOM 0 H GLU A 80 17.429 24.105 15.641 1.00 62.32 H new ATOM 0 HA GLU A 80 14.754 23.212 15.559 1.00 15.51 H new ATOM 0 HB2 GLU A 80 16.051 25.501 17.077 1.00 72.14 H new ATOM 0 HB3 GLU A 80 14.441 24.885 17.389 1.00 72.14 H new ATOM 0 HG2 GLU A 80 15.439 22.638 17.892 1.00 41.52 H new ATOM 0 HG3 GLU A 80 17.035 23.326 17.669 1.00 41.52 H new ATOM 1242 N ARG A 81 15.353 26.202 14.305 1.00 50.40 N ATOM 1243 CA ARG A 81 14.801 27.249 13.450 1.00 73.35 C ATOM 1244 C ARG A 81 14.317 26.654 12.131 1.00 24.52 C ATOM 1245 O ARG A 81 13.162 26.860 11.720 1.00 72.03 O ATOM 1246 CB ARG A 81 15.853 28.326 13.171 1.00 51.11 C ATOM 1247 CG ARG A 81 15.339 29.481 12.320 1.00 33.12 C ATOM 1248 CD ARG A 81 16.483 30.347 11.811 1.00 12.04 C ATOM 1249 NE ARG A 81 17.361 29.601 10.912 1.00 54.21 N ATOM 1250 CZ ARG A 81 18.623 29.282 11.190 1.00 1.12 C ATOM 1251 NH1 ARG A 81 19.202 29.714 12.303 1.00 25.34 N ATOM 1252 NH2 ARG A 81 19.309 28.541 10.336 1.00 65.00 N ATOM 0 H ARG A 81 16.341 26.319 14.528 1.00 50.40 H new ATOM 0 HA ARG A 81 13.958 27.704 13.970 1.00 73.35 H new ATOM 0 HB2 ARG A 81 16.217 28.720 14.120 1.00 51.11 H new ATOM 0 HB3 ARG A 81 16.705 27.867 12.669 1.00 51.11 H new ATOM 0 HG2 ARG A 81 14.773 29.089 11.475 1.00 33.12 H new ATOM 0 HG3 ARG A 81 14.653 30.091 12.908 1.00 33.12 H new ATOM 0 HD2 ARG A 81 16.079 31.215 11.290 1.00 12.04 H new ATOM 0 HD3 ARG A 81 17.060 30.723 12.656 1.00 12.04 H new ATOM 0 HE ARG A 81 16.982 29.305 10.012 1.00 54.21 H new ATOM 0 HH11 ARG A 81 18.679 30.297 12.957 1.00 25.34 H new ATOM 0 HH12 ARG A 81 20.170 29.463 12.505 1.00 25.34 H new ATOM 0 HH21 ARG A 81 18.870 28.219 9.473 1.00 65.00 H new ATOM 0 HH22 ARG A 81 20.277 28.291 10.540 1.00 65.00 H new ATOM 1266 N VAL A 82 15.198 25.906 11.469 1.00 32.54 N ATOM 1267 CA VAL A 82 14.848 25.302 10.191 1.00 71.44 C ATOM 1268 C VAL A 82 13.713 24.290 10.371 1.00 64.30 C ATOM 1269 O VAL A 82 12.860 24.143 9.497 1.00 33.50 O ATOM 1270 CB VAL A 82 16.063 24.636 9.498 1.00 10.34 C ATOM 1271 CG1 VAL A 82 16.428 23.306 10.140 1.00 44.34 C ATOM 1272 CG2 VAL A 82 15.796 24.461 8.014 1.00 23.43 C ATOM 0 H VAL A 82 16.145 25.707 11.792 1.00 32.54 H new ATOM 0 HA VAL A 82 14.510 26.107 9.538 1.00 71.44 H new ATOM 0 HB VAL A 82 16.918 25.300 9.627 1.00 10.34 H new ATOM 0 HG11 VAL A 82 17.285 22.875 9.622 1.00 44.34 H new ATOM 0 HG12 VAL A 82 16.680 23.465 11.188 1.00 44.34 H new ATOM 0 HG13 VAL A 82 15.581 22.624 10.070 1.00 44.34 H new ATOM 0 HG21 VAL A 82 16.659 23.992 7.542 1.00 23.43 H new ATOM 0 HG22 VAL A 82 14.918 23.830 7.874 1.00 23.43 H new ATOM 0 HG23 VAL A 82 15.619 25.435 7.559 1.00 23.43 H new ATOM 1282 N ARG A 83 13.698 23.615 11.519 1.00 12.43 N ATOM 1283 CA ARG A 83 12.622 22.691 11.854 1.00 22.25 C ATOM 1284 C ARG A 83 11.299 23.438 11.889 1.00 63.13 C ATOM 1285 O ARG A 83 10.325 23.006 11.283 1.00 31.24 O ATOM 1286 CB ARG A 83 12.900 22.004 13.205 1.00 63.22 C ATOM 1287 CG ARG A 83 11.842 20.987 13.630 1.00 61.31 C ATOM 1288 CD ARG A 83 10.692 21.634 14.394 1.00 74.43 C ATOM 1289 NE ARG A 83 9.579 20.708 14.611 1.00 41.44 N ATOM 1290 CZ ARG A 83 8.747 20.770 15.651 1.00 73.12 C ATOM 1291 NH1 ARG A 83 8.962 21.637 16.633 1.00 20.14 N ATOM 1292 NH2 ARG A 83 7.715 19.941 15.715 1.00 15.30 N ATOM 0 H ARG A 83 14.422 23.693 12.233 1.00 12.43 H new ATOM 0 HA ARG A 83 12.567 21.916 11.090 1.00 22.25 H new ATOM 0 HB2 ARG A 83 13.866 21.503 13.151 1.00 63.22 H new ATOM 0 HB3 ARG A 83 12.981 22.769 13.977 1.00 63.22 H new ATOM 0 HG2 ARG A 83 11.450 20.483 12.747 1.00 61.31 H new ATOM 0 HG3 ARG A 83 12.306 20.223 14.254 1.00 61.31 H new ATOM 0 HD2 ARG A 83 11.055 21.994 15.357 1.00 74.43 H new ATOM 0 HD3 ARG A 83 10.336 22.504 13.842 1.00 74.43 H new ATOM 0 HE ARG A 83 9.431 19.969 13.924 1.00 41.44 H new ATOM 0 HH11 ARG A 83 9.768 22.261 16.595 1.00 20.14 H new ATOM 0 HH12 ARG A 83 8.321 21.679 17.426 1.00 20.14 H new ATOM 0 HH21 ARG A 83 7.561 19.260 14.971 1.00 15.30 H new ATOM 0 HH22 ARG A 83 7.075 19.984 16.508 1.00 15.30 H new ATOM 1306 N ALA A 84 11.281 24.567 12.587 1.00 12.14 N ATOM 1307 CA ALA A 84 10.079 25.383 12.701 1.00 60.24 C ATOM 1308 C ALA A 84 9.586 25.829 11.329 1.00 70.42 C ATOM 1309 O ALA A 84 8.391 25.768 11.041 1.00 23.24 O ATOM 1310 CB ALA A 84 10.340 26.589 13.592 1.00 63.52 C ATOM 0 H ALA A 84 12.090 24.939 13.085 1.00 12.14 H new ATOM 0 HA ALA A 84 9.298 24.774 13.157 1.00 60.24 H new ATOM 0 HB1 ALA A 84 9.433 27.189 13.667 1.00 63.52 H new ATOM 0 HB2 ALA A 84 10.635 26.251 14.585 1.00 63.52 H new ATOM 0 HB3 ALA A 84 11.139 27.193 13.162 1.00 63.52 H new ATOM 1316 N ARG A 85 10.513 26.268 10.482 1.00 4.11 N ATOM 1317 CA ARG A 85 10.155 26.714 9.134 1.00 74.14 C ATOM 1318 C ARG A 85 9.609 25.570 8.280 1.00 31.20 C ATOM 1319 O ARG A 85 8.530 25.683 7.696 1.00 12.24 O ATOM 1320 CB ARG A 85 11.356 27.356 8.433 1.00 14.31 C ATOM 1321 CG ARG A 85 11.439 28.863 8.620 1.00 15.44 C ATOM 1322 CD ARG A 85 11.543 29.241 10.086 1.00 12.24 C ATOM 1323 NE ARG A 85 11.431 30.681 10.288 1.00 30.11 N ATOM 1324 CZ ARG A 85 11.631 31.283 11.456 1.00 74.23 C ATOM 1325 NH1 ARG A 85 11.965 30.568 12.524 1.00 74.02 N ATOM 1326 NH2 ARG A 85 11.486 32.595 11.560 1.00 62.23 N ATOM 0 H ARG A 85 11.508 26.325 10.699 1.00 4.11 H new ATOM 0 HA ARG A 85 9.367 27.458 9.247 1.00 74.14 H new ATOM 0 HB2 ARG A 85 12.272 26.901 8.810 1.00 14.31 H new ATOM 0 HB3 ARG A 85 11.305 27.133 7.367 1.00 14.31 H new ATOM 0 HG2 ARG A 85 12.305 29.249 8.082 1.00 15.44 H new ATOM 0 HG3 ARG A 85 10.557 29.333 8.184 1.00 15.44 H new ATOM 0 HD2 ARG A 85 10.758 28.734 10.648 1.00 12.24 H new ATOM 0 HD3 ARG A 85 12.496 28.892 10.484 1.00 12.24 H new ATOM 0 HE ARG A 85 11.185 31.260 9.486 1.00 30.11 H new ATOM 0 HH11 ARG A 85 12.068 29.556 12.448 1.00 74.02 H new ATOM 0 HH12 ARG A 85 12.118 31.031 13.420 1.00 74.02 H new ATOM 0 HH21 ARG A 85 11.220 33.145 10.743 1.00 62.23 H new ATOM 0 HH22 ARG A 85 11.640 33.056 12.457 1.00 62.23 H new ATOM 1340 N LEU A 86 10.343 24.469 8.222 1.00 63.41 N ATOM 1341 CA LEU A 86 9.989 23.355 7.345 1.00 3.23 C ATOM 1342 C LEU A 86 8.759 22.600 7.848 1.00 51.33 C ATOM 1343 O LEU A 86 7.963 22.107 7.047 1.00 11.12 O ATOM 1344 CB LEU A 86 11.178 22.396 7.189 1.00 64.25 C ATOM 1345 CG LEU A 86 12.179 22.752 6.077 1.00 51.31 C ATOM 1346 CD1 LEU A 86 11.543 22.575 4.707 1.00 63.43 C ATOM 1347 CD2 LEU A 86 12.694 24.173 6.235 1.00 3.31 C ATOM 0 H LEU A 86 11.189 24.320 8.771 1.00 63.41 H new ATOM 0 HA LEU A 86 9.740 23.774 6.370 1.00 3.23 H new ATOM 0 HB2 LEU A 86 11.715 22.355 8.137 1.00 64.25 H new ATOM 0 HB3 LEU A 86 10.791 21.395 6.998 1.00 64.25 H new ATOM 0 HG LEU A 86 13.026 22.071 6.163 1.00 51.31 H new ATOM 0 HD11 LEU A 86 12.267 22.832 3.934 1.00 63.43 H new ATOM 0 HD12 LEU A 86 11.231 21.538 4.582 1.00 63.43 H new ATOM 0 HD13 LEU A 86 10.674 23.228 4.622 1.00 63.43 H new ATOM 0 HD21 LEU A 86 13.400 24.395 5.434 1.00 3.31 H new ATOM 0 HD22 LEU A 86 11.858 24.871 6.186 1.00 3.31 H new ATOM 0 HD23 LEU A 86 13.195 24.274 7.198 1.00 3.31 H new ATOM 1359 N ALA A 87 8.593 22.527 9.165 1.00 64.31 N ATOM 1360 CA ALA A 87 7.471 21.803 9.765 1.00 55.30 C ATOM 1361 C ALA A 87 6.140 22.460 9.425 1.00 40.51 C ATOM 1362 O ALA A 87 5.095 21.810 9.438 1.00 60.31 O ATOM 1363 CB ALA A 87 7.633 21.700 11.274 1.00 2.20 C ATOM 0 H ALA A 87 9.222 22.961 9.841 1.00 64.31 H new ATOM 0 HA ALA A 87 7.472 20.797 9.345 1.00 55.30 H new ATOM 0 HB1 ALA A 87 6.786 21.158 11.695 1.00 2.20 H new ATOM 0 HB2 ALA A 87 8.556 21.168 11.505 1.00 2.20 H new ATOM 0 HB3 ALA A 87 7.673 22.700 11.705 1.00 2.20 H new ATOM 1369 N ALA A 88 6.181 23.753 9.130 1.00 12.20 N ATOM 1370 CA ALA A 88 4.978 24.502 8.799 1.00 35.54 C ATOM 1371 C ALA A 88 4.350 24.003 7.500 1.00 70.35 C ATOM 1372 O ALA A 88 3.160 24.199 7.260 1.00 34.21 O ATOM 1373 CB ALA A 88 5.293 25.984 8.704 1.00 1.20 C ATOM 0 H ALA A 88 7.038 24.306 9.114 1.00 12.20 H new ATOM 0 HA ALA A 88 4.253 24.345 9.598 1.00 35.54 H new ATOM 0 HB1 ALA A 88 4.385 26.534 8.456 1.00 1.20 H new ATOM 0 HB2 ALA A 88 5.680 26.336 9.660 1.00 1.20 H new ATOM 0 HB3 ALA A 88 6.040 26.148 7.928 1.00 1.20 H new ATOM 1379 N GLN A 89 5.152 23.356 6.661 1.00 43.22 N ATOM 1380 CA GLN A 89 4.658 22.814 5.401 1.00 34.15 C ATOM 1381 C GLN A 89 4.511 21.295 5.481 1.00 43.51 C ATOM 1382 O GLN A 89 4.163 20.641 4.495 1.00 25.11 O ATOM 1383 CB GLN A 89 5.588 23.191 4.239 1.00 71.20 C ATOM 1384 CG GLN A 89 5.315 24.565 3.636 1.00 64.44 C ATOM 1385 CD GLN A 89 5.609 25.715 4.583 1.00 71.20 C ATOM 1386 OE1 GLN A 89 4.741 26.156 5.337 1.00 75.44 O ATOM 1387 NE2 GLN A 89 6.828 26.223 4.535 1.00 62.23 N ATOM 0 H GLN A 89 6.145 23.195 6.830 1.00 43.22 H new ATOM 0 HA GLN A 89 3.676 23.250 5.216 1.00 34.15 H new ATOM 0 HB2 GLN A 89 6.619 23.160 4.590 1.00 71.20 H new ATOM 0 HB3 GLN A 89 5.495 22.439 3.456 1.00 71.20 H new ATOM 0 HG2 GLN A 89 5.918 24.684 2.736 1.00 64.44 H new ATOM 0 HG3 GLN A 89 4.270 24.616 3.329 1.00 64.44 H new ATOM 0 HE21 GLN A 89 7.520 25.830 3.897 1.00 62.23 H new ATOM 0 HE22 GLN A 89 7.077 27.008 5.136 1.00 62.23 H new ATOM 1396 N GLY A 90 4.768 20.743 6.658 1.00 41.15 N ATOM 1397 CA GLY A 90 4.657 19.309 6.847 1.00 31.11 C ATOM 1398 C GLY A 90 5.923 18.709 7.425 1.00 31.14 C ATOM 1399 O GLY A 90 6.958 19.373 7.484 1.00 41.14 O ATOM 0 H GLY A 90 5.052 21.263 7.488 1.00 41.15 H new ATOM 0 HA2 GLY A 90 3.819 19.095 7.511 1.00 31.11 H new ATOM 0 HA3 GLY A 90 4.435 18.834 5.891 1.00 31.11 H new ATOM 1403 N TRP A 91 5.851 17.455 7.851 1.00 1.05 N ATOM 1404 CA TRP A 91 7.005 16.789 8.435 1.00 21.13 C ATOM 1405 C TRP A 91 7.002 15.307 8.065 1.00 24.15 C ATOM 1406 O TRP A 91 6.384 14.487 8.744 1.00 54.32 O ATOM 1407 CB TRP A 91 7.002 16.962 9.956 1.00 54.31 C ATOM 1408 CG TRP A 91 8.360 16.829 10.575 1.00 20.42 C ATOM 1409 CD1 TRP A 91 8.826 15.791 11.330 1.00 65.12 C ATOM 1410 CD2 TRP A 91 9.426 17.777 10.489 1.00 12.15 C ATOM 1411 NE1 TRP A 91 10.121 16.042 11.721 1.00 72.51 N ATOM 1412 CE2 TRP A 91 10.511 17.255 11.217 1.00 54.41 C ATOM 1413 CE3 TRP A 91 9.569 19.019 9.866 1.00 43.04 C ATOM 1414 CZ2 TRP A 91 11.719 17.934 11.338 1.00 22.23 C ATOM 1415 CZ3 TRP A 91 10.769 19.692 9.985 1.00 21.42 C ATOM 1416 CH2 TRP A 91 11.830 19.149 10.716 1.00 15.43 C ATOM 0 H TRP A 91 5.009 16.881 7.803 1.00 1.05 H new ATOM 0 HA TRP A 91 7.912 17.244 8.037 1.00 21.13 H new ATOM 0 HB2 TRP A 91 6.594 17.942 10.201 1.00 54.31 H new ATOM 0 HB3 TRP A 91 6.336 16.220 10.397 1.00 54.31 H new ATOM 0 HD1 TRP A 91 8.262 14.905 11.583 1.00 65.12 H new ATOM 0 HE1 TRP A 91 10.697 15.425 12.293 1.00 72.51 H new ATOM 0 HE3 TRP A 91 8.754 19.446 9.300 1.00 43.04 H new ATOM 0 HZ2 TRP A 91 12.540 17.518 11.902 1.00 22.23 H new ATOM 0 HZ3 TRP A 91 10.890 20.652 9.506 1.00 21.42 H new ATOM 0 HH2 TRP A 91 12.756 19.699 10.792 1.00 15.43 H new ATOM 1427 N PRO A 92 7.682 14.949 6.964 1.00 64.14 N ATOM 1428 CA PRO A 92 7.717 13.573 6.463 1.00 60.55 C ATOM 1429 C PRO A 92 8.787 12.710 7.135 1.00 0.42 C ATOM 1430 O PRO A 92 9.158 11.655 6.621 1.00 12.41 O ATOM 1431 CB PRO A 92 8.037 13.767 4.984 1.00 45.11 C ATOM 1432 CG PRO A 92 8.867 15.007 4.929 1.00 23.52 C ATOM 1433 CD PRO A 92 8.454 15.865 6.102 1.00 20.11 C ATOM 0 HA PRO A 92 6.785 13.044 6.661 1.00 60.55 H new ATOM 0 HB2 PRO A 92 8.579 12.911 4.582 1.00 45.11 H new ATOM 0 HB3 PRO A 92 7.127 13.874 4.394 1.00 45.11 H new ATOM 0 HG2 PRO A 92 9.928 14.764 4.983 1.00 23.52 H new ATOM 0 HG3 PRO A 92 8.709 15.536 3.989 1.00 23.52 H new ATOM 0 HD2 PRO A 92 9.321 16.269 6.625 1.00 20.11 H new ATOM 0 HD3 PRO A 92 7.851 16.714 5.782 1.00 20.11 H new ATOM 1441 N LEU A 93 9.283 13.155 8.283 1.00 21.21 N ATOM 1442 CA LEU A 93 10.285 12.389 9.014 1.00 44.02 C ATOM 1443 C LEU A 93 9.625 11.359 9.915 1.00 73.14 C ATOM 1444 O LEU A 93 10.135 10.251 10.077 1.00 62.40 O ATOM 1445 CB LEU A 93 11.194 13.298 9.849 1.00 23.12 C ATOM 1446 CG LEU A 93 12.272 14.057 9.070 1.00 64.11 C ATOM 1447 CD1 LEU A 93 11.664 15.160 8.219 1.00 64.22 C ATOM 1448 CD2 LEU A 93 13.309 14.626 10.023 1.00 63.12 C ATOM 0 H LEU A 93 9.011 14.033 8.725 1.00 21.21 H new ATOM 0 HA LEU A 93 10.900 11.877 8.274 1.00 44.02 H new ATOM 0 HB2 LEU A 93 10.570 14.024 10.371 1.00 23.12 H new ATOM 0 HB3 LEU A 93 11.682 12.691 10.611 1.00 23.12 H new ATOM 0 HG LEU A 93 12.763 13.353 8.399 1.00 64.11 H new ATOM 0 HD11 LEU A 93 12.455 15.680 7.678 1.00 64.22 H new ATOM 0 HD12 LEU A 93 10.963 14.725 7.507 1.00 64.22 H new ATOM 0 HD13 LEU A 93 11.138 15.867 8.861 1.00 64.22 H new ATOM 0 HD21 LEU A 93 14.069 15.163 9.455 1.00 63.12 H new ATOM 0 HD22 LEU A 93 12.826 15.311 10.720 1.00 63.12 H new ATOM 0 HD23 LEU A 93 13.777 13.813 10.578 1.00 63.12 H new ATOM 1460 N ASP A 94 8.486 11.722 10.483 1.00 75.24 N ATOM 1461 CA ASP A 94 7.788 10.843 11.407 1.00 4.40 C ATOM 1462 C ASP A 94 6.514 10.315 10.766 1.00 41.41 C ATOM 1463 O ASP A 94 5.626 11.086 10.401 1.00 14.45 O ATOM 1464 CB ASP A 94 7.464 11.585 12.705 1.00 63.34 C ATOM 1465 CG ASP A 94 7.005 10.654 13.807 1.00 62.41 C ATOM 1466 OD1 ASP A 94 7.792 9.770 14.207 1.00 43.30 O ATOM 1467 OD2 ASP A 94 5.873 10.823 14.307 1.00 74.41 O ATOM 0 H ASP A 94 8.026 12.618 10.321 1.00 75.24 H new ATOM 0 HA ASP A 94 8.435 9.999 11.644 1.00 4.40 H new ATOM 0 HB2 ASP A 94 8.347 12.129 13.038 1.00 63.34 H new ATOM 0 HB3 ASP A 94 6.687 12.325 12.512 1.00 63.34 H new ATOM 1472 N ASP A 95 6.437 9.003 10.613 1.00 73.02 N ATOM 1473 CA ASP A 95 5.306 8.383 9.933 1.00 2.34 C ATOM 1474 C ASP A 95 4.351 7.748 10.937 1.00 51.34 C ATOM 1475 O ASP A 95 4.761 7.320 12.016 1.00 12.12 O ATOM 1476 CB ASP A 95 5.795 7.333 8.931 1.00 41.44 C ATOM 1477 CG ASP A 95 4.680 6.809 8.046 1.00 74.21 C ATOM 1478 OD1 ASP A 95 3.818 7.612 7.633 1.00 34.21 O ATOM 1479 OD2 ASP A 95 4.672 5.599 7.734 1.00 54.30 O ATOM 0 H ASP A 95 7.141 8.346 10.949 1.00 73.02 H new ATOM 0 HA ASP A 95 4.768 9.161 9.392 1.00 2.34 H new ATOM 0 HB2 ASP A 95 6.576 7.767 8.307 1.00 41.44 H new ATOM 0 HB3 ASP A 95 6.246 6.501 9.472 1.00 41.44 H new ATOM 1484 N VAL A 96 3.078 7.696 10.570 1.00 71.32 N ATOM 1485 CA VAL A 96 2.043 7.157 11.442 1.00 22.53 C ATOM 1486 C VAL A 96 1.498 5.852 10.868 1.00 14.41 C ATOM 1487 O VAL A 96 1.219 5.760 9.670 1.00 35.44 O ATOM 1488 CB VAL A 96 0.883 8.163 11.628 1.00 52.40 C ATOM 1489 CG1 VAL A 96 -0.152 7.626 12.607 1.00 14.32 C ATOM 1490 CG2 VAL A 96 1.407 9.513 12.096 1.00 21.21 C ATOM 0 H VAL A 96 2.735 8.023 9.667 1.00 71.32 H new ATOM 0 HA VAL A 96 2.495 6.968 12.416 1.00 22.53 H new ATOM 0 HB VAL A 96 0.400 8.298 10.660 1.00 52.40 H new ATOM 0 HG11 VAL A 96 -0.957 8.352 12.720 1.00 14.32 H new ATOM 0 HG12 VAL A 96 -0.559 6.689 12.228 1.00 14.32 H new ATOM 0 HG13 VAL A 96 0.318 7.452 13.575 1.00 14.32 H new ATOM 0 HG21 VAL A 96 0.573 10.204 12.220 1.00 21.21 H new ATOM 0 HG22 VAL A 96 1.923 9.393 13.049 1.00 21.21 H new ATOM 0 HG23 VAL A 96 2.101 9.911 11.355 1.00 21.21 H new ATOM 1500 N ARG A 97 1.354 4.850 11.726 1.00 41.12 N ATOM 1501 CA ARG A 97 0.875 3.538 11.305 1.00 64.31 C ATOM 1502 C ARG A 97 -0.646 3.541 11.190 1.00 4.21 C ATOM 1503 O ARG A 97 -1.330 4.230 11.950 1.00 42.12 O ATOM 1504 CB ARG A 97 1.311 2.471 12.310 1.00 63.00 C ATOM 1505 CG ARG A 97 2.788 2.528 12.665 1.00 70.22 C ATOM 1506 CD ARG A 97 3.114 1.592 13.818 1.00 74.05 C ATOM 1507 NE ARG A 97 3.744 0.347 13.378 1.00 74.14 N ATOM 1508 CZ ARG A 97 3.268 -0.868 13.650 1.00 21.31 C ATOM 1509 NH1 ARG A 97 2.091 -1.005 14.250 1.00 42.30 N ATOM 1510 NH2 ARG A 97 3.960 -1.948 13.305 1.00 4.22 N ATOM 0 H ARG A 97 1.563 4.921 12.722 1.00 41.12 H new ATOM 0 HA ARG A 97 1.305 3.310 10.330 1.00 64.31 H new ATOM 0 HB2 ARG A 97 0.724 2.582 13.221 1.00 63.00 H new ATOM 0 HB3 ARG A 97 1.083 1.486 11.902 1.00 63.00 H new ATOM 0 HG2 ARG A 97 3.385 2.257 11.794 1.00 70.22 H new ATOM 0 HG3 ARG A 97 3.061 3.549 12.934 1.00 70.22 H new ATOM 0 HD2 ARG A 97 3.777 2.102 14.517 1.00 74.05 H new ATOM 0 HD3 ARG A 97 2.198 1.358 14.360 1.00 74.05 H new ATOM 0 HE ARG A 97 4.601 0.413 12.829 1.00 74.14 H new ATOM 0 HH11 ARG A 97 1.549 -0.179 14.504 1.00 42.30 H new ATOM 0 HH12 ARG A 97 1.729 -1.936 14.457 1.00 42.30 H new ATOM 0 HH21 ARG A 97 4.858 -1.849 12.831 1.00 4.22 H new ATOM 0 HH22 ARG A 97 3.594 -2.877 13.514 1.00 4.22 H new ATOM 1524 N ASP A 98 -1.171 2.764 10.251 1.00 14.21 N ATOM 1525 CA ASP A 98 -2.614 2.694 10.040 1.00 30.32 C ATOM 1526 C ASP A 98 -3.258 1.773 11.066 1.00 50.43 C ATOM 1527 O ASP A 98 -2.575 0.982 11.720 1.00 33.41 O ATOM 1528 CB ASP A 98 -2.956 2.225 8.616 1.00 32.43 C ATOM 1529 CG ASP A 98 -2.432 0.837 8.286 1.00 72.12 C ATOM 1530 OD1 ASP A 98 -3.054 -0.164 8.697 1.00 23.42 O ATOM 1531 OD2 ASP A 98 -1.392 0.740 7.596 1.00 71.52 O ATOM 0 H ASP A 98 -0.623 2.175 9.625 1.00 14.21 H new ATOM 0 HA ASP A 98 -3.014 3.700 10.165 1.00 30.32 H new ATOM 0 HB2 ASP A 98 -4.039 2.234 8.491 1.00 32.43 H new ATOM 0 HB3 ASP A 98 -2.546 2.938 7.900 1.00 32.43 H new ATOM 1536 N ARG A 99 -4.567 1.891 11.217 1.00 40.24 N ATOM 1537 CA ARG A 99 -5.306 1.087 12.174 1.00 32.23 C ATOM 1538 C ARG A 99 -6.445 0.377 11.471 1.00 22.32 C ATOM 1539 O ARG A 99 -6.442 -0.846 11.325 1.00 1.10 O ATOM 1540 CB ARG A 99 -5.861 1.968 13.297 1.00 64.42 C ATOM 1541 CG ARG A 99 -4.796 2.552 14.209 1.00 3.52 C ATOM 1542 CD ARG A 99 -4.084 1.464 14.992 1.00 23.24 C ATOM 1543 NE ARG A 99 -5.013 0.667 15.792 1.00 64.52 N ATOM 1544 CZ ARG A 99 -4.659 -0.027 16.872 1.00 3.44 C ATOM 1545 NH1 ARG A 99 -3.416 0.037 17.329 1.00 14.30 N ATOM 1546 NH2 ARG A 99 -5.560 -0.761 17.511 1.00 71.43 N ATOM 0 H ARG A 99 -5.143 2.542 10.683 1.00 40.24 H new ATOM 0 HA ARG A 99 -4.631 0.350 12.609 1.00 32.23 H new ATOM 0 HB2 ARG A 99 -6.433 2.784 12.855 1.00 64.42 H new ATOM 0 HB3 ARG A 99 -6.555 1.380 13.897 1.00 64.42 H new ATOM 0 HG2 ARG A 99 -4.071 3.109 13.615 1.00 3.52 H new ATOM 0 HG3 ARG A 99 -5.254 3.260 14.900 1.00 3.52 H new ATOM 0 HD2 ARG A 99 -3.549 0.812 14.302 1.00 23.24 H new ATOM 0 HD3 ARG A 99 -3.339 1.917 15.646 1.00 23.24 H new ATOM 0 HE ARG A 99 -5.992 0.641 15.505 1.00 64.52 H new ATOM 0 HH11 ARG A 99 -2.727 0.619 16.853 1.00 14.30 H new ATOM 0 HH12 ARG A 99 -3.149 -0.496 18.157 1.00 14.30 H new ATOM 0 HH21 ARG A 99 -6.523 -0.793 17.175 1.00 71.43 H new ATOM 0 HH22 ARG A 99 -5.290 -1.293 18.338 1.00 71.43 H new ATOM 1560 N GLU A 100 -7.406 1.158 11.015 1.00 14.13 N ATOM 1561 CA GLU A 100 -8.557 0.622 10.321 1.00 21.13 C ATOM 1562 C GLU A 100 -9.146 1.666 9.388 1.00 70.42 C ATOM 1563 O GLU A 100 -8.907 2.866 9.548 1.00 75.53 O ATOM 1564 CB GLU A 100 -9.617 0.150 11.319 1.00 10.32 C ATOM 1565 CG GLU A 100 -10.070 1.233 12.285 1.00 41.30 C ATOM 1566 CD GLU A 100 -11.165 0.760 13.216 1.00 40.11 C ATOM 1567 OE1 GLU A 100 -10.854 0.044 14.191 1.00 2.33 O ATOM 1568 OE2 GLU A 100 -12.344 1.100 12.975 1.00 63.33 O ATOM 0 H GLU A 100 -7.410 2.173 11.115 1.00 14.13 H new ATOM 0 HA GLU A 100 -8.232 -0.234 9.730 1.00 21.13 H new ATOM 0 HB2 GLU A 100 -10.483 -0.220 10.769 1.00 10.32 H new ATOM 0 HB3 GLU A 100 -9.219 -0.690 11.889 1.00 10.32 H new ATOM 0 HG2 GLU A 100 -9.217 1.569 12.874 1.00 41.30 H new ATOM 0 HG3 GLU A 100 -10.426 2.094 11.719 1.00 41.30 H new ATOM 1575 N GLU A 101 -9.900 1.205 8.407 1.00 40.31 N ATOM 1576 CA GLU A 101 -10.557 2.089 7.461 1.00 43.23 C ATOM 1577 C GLU A 101 -12.011 1.680 7.300 1.00 61.40 C ATOM 1578 O GLU A 101 -12.307 0.517 7.029 1.00 65.34 O ATOM 1579 CB GLU A 101 -9.842 2.044 6.110 1.00 33.35 C ATOM 1580 CG GLU A 101 -8.391 2.488 6.179 1.00 52.03 C ATOM 1581 CD GLU A 101 -7.657 2.281 4.876 1.00 24.22 C ATOM 1582 OE1 GLU A 101 -7.145 1.165 4.648 1.00 41.45 O ATOM 1583 OE2 GLU A 101 -7.574 3.233 4.076 1.00 45.10 O ATOM 0 H GLU A 101 -10.074 0.213 8.244 1.00 40.31 H new ATOM 0 HA GLU A 101 -10.515 3.110 7.841 1.00 43.23 H new ATOM 0 HB2 GLU A 101 -9.885 1.028 5.719 1.00 33.35 H new ATOM 0 HB3 GLU A 101 -10.375 2.680 5.404 1.00 33.35 H new ATOM 0 HG2 GLU A 101 -8.350 3.543 6.451 1.00 52.03 H new ATOM 0 HG3 GLU A 101 -7.883 1.935 6.969 1.00 52.03 H new ATOM 1590 N HIS A 102 -12.915 2.636 7.454 1.00 21.45 N ATOM 1591 CA HIS A 102 -14.346 2.352 7.372 1.00 25.33 C ATOM 1592 C HIS A 102 -14.828 2.376 5.924 1.00 50.12 C ATOM 1593 O HIS A 102 -16.032 2.395 5.655 1.00 63.21 O ATOM 1594 CB HIS A 102 -15.160 3.328 8.240 1.00 45.51 C ATOM 1595 CG HIS A 102 -14.961 4.785 7.927 1.00 1.23 C ATOM 1596 ND1 HIS A 102 -13.991 5.552 8.527 1.00 23.13 N ATOM 1597 CD2 HIS A 102 -15.632 5.617 7.096 1.00 10.20 C ATOM 1598 CE1 HIS A 102 -14.071 6.792 8.084 1.00 13.04 C ATOM 1599 NE2 HIS A 102 -15.060 6.862 7.214 1.00 5.31 N ATOM 0 H HIS A 102 -12.687 3.613 7.636 1.00 21.45 H new ATOM 0 HA HIS A 102 -14.506 1.347 7.763 1.00 25.33 H new ATOM 0 HB2 HIS A 102 -16.218 3.091 8.130 1.00 45.51 H new ATOM 0 HB3 HIS A 102 -14.903 3.159 9.286 1.00 45.51 H new ATOM 0 HD2 HIS A 102 -16.463 5.352 6.459 1.00 10.20 H new ATOM 0 HE1 HIS A 102 -13.434 7.611 8.383 1.00 13.04 H new ATOM 0 HE2 HIS A 102 -15.352 7.701 6.712 1.00 5.31 H new ATOM 1608 N ALA A 103 -13.881 2.366 5.001 1.00 73.32 N ATOM 1609 CA ALA A 103 -14.185 2.299 3.583 1.00 31.42 C ATOM 1610 C ALA A 103 -13.879 0.906 3.051 1.00 64.31 C ATOM 1611 O ALA A 103 -12.699 0.630 2.749 1.00 52.35 O ATOM 1612 CB ALA A 103 -13.395 3.349 2.818 1.00 51.41 C ATOM 1613 OXT ALA A 103 -14.813 0.084 2.955 1.00 0.00 O ATOM 0 H ALA A 103 -12.884 2.404 5.213 1.00 73.32 H new ATOM 0 HA ALA A 103 -15.246 2.503 3.441 1.00 31.42 H new ATOM 0 HB1 ALA A 103 -13.636 3.284 1.757 1.00 51.41 H new ATOM 0 HB2 ALA A 103 -13.654 4.341 3.189 1.00 51.41 H new ATOM 0 HB3 ALA A 103 -12.328 3.176 2.959 1.00 51.41 H new TER 1619 ALA A 103