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 Set 1.1: A 67 THR OG1 : rot -98:sc= 1.87 USER MOD Set 1.2: A 68 HIS : no HE2:sc= 0.659 K(o=2.5,f=-3.5!) USER MOD Set 2.1: A 40 SER OG : rot 180:sc= 0.157 USER MOD Set 2.2: A 41 HIS : no HD1:sc= -0.0724 X(o=0.084,f=-0.12) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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=-0.062) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 130:sc= 0 USER MOD Single : A 26 THR OG1 : rot -23:sc= 0.754 USER MOD Single : A 28 SER OG : rot 130:sc= 0.00987 USER MOD Single : A 36 CYS SG : rot -26:sc= 0.135 USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00852) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 52 MET CE :methyl 166:sc= -0.428 (180deg=-0.749) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 70 THR OG1 : rot 27:sc= 1.11 USER MOD Single : A 75 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 89 GLN : amide:sc= -2.93! C(o=-2.9!,f=-7.9!) USER MOD Single : A 102 HIS : no HE2:sc= 1.1 K(o=1.1,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.302 0.490 -4.639 1.00 23.41 N ATOM 2 CA GLY A 1 2.084 1.306 -5.596 1.00 73.53 C ATOM 3 C GLY A 1 3.007 2.277 -4.891 1.00 72.31 C ATOM 4 O GLY A 1 2.708 3.466 -4.789 1.00 14.41 O ATOM 0 H1 GLY A 1 0.683 -0.161 -5.163 1.00 23.41 H new ATOM 0 H2 GLY A 1 1.951 -0.057 -4.038 1.00 23.41 H new ATOM 0 H3 GLY A 1 0.722 1.115 -4.043 1.00 23.41 H new ATOM 0 HA2 GLY A 1 2.671 0.649 -6.238 1.00 73.53 H new ATOM 0 HA3 GLY A 1 1.403 1.858 -6.243 1.00 73.53 H new ATOM 10 N SER A 2 4.132 1.775 -4.416 1.00 3.14 N ATOM 11 CA SER A 2 5.080 2.591 -3.680 1.00 5.32 C ATOM 12 C SER A 2 6.451 2.518 -4.336 1.00 72.52 C ATOM 13 O SER A 2 7.025 1.439 -4.479 1.00 22.34 O ATOM 14 CB SER A 2 5.152 2.117 -2.228 1.00 20.22 C ATOM 15 OG SER A 2 3.854 2.045 -1.657 1.00 30.24 O ATOM 0 H SER A 2 4.413 0.801 -4.528 1.00 3.14 H new ATOM 0 HA SER A 2 4.747 3.629 -3.693 1.00 5.32 H new ATOM 0 HB2 SER A 2 5.629 1.138 -2.183 1.00 20.22 H new ATOM 0 HB3 SER A 2 5.772 2.800 -1.648 1.00 20.22 H new ATOM 0 HG SER A 2 3.922 1.738 -0.729 1.00 30.24 H new ATOM 21 N HIS A 3 6.965 3.661 -4.767 1.00 74.30 N ATOM 22 CA HIS A 3 8.259 3.704 -5.431 1.00 71.34 C ATOM 23 C HIS A 3 9.132 4.806 -4.849 1.00 55.41 C ATOM 24 O HIS A 3 8.645 5.889 -4.518 1.00 61.04 O ATOM 25 CB HIS A 3 8.085 3.887 -6.938 1.00 10.31 C ATOM 26 CG HIS A 3 7.479 2.692 -7.610 1.00 15.43 C ATOM 27 ND1 HIS A 3 6.258 2.721 -8.249 1.00 31.20 N ATOM 28 CD2 HIS A 3 7.935 1.424 -7.735 1.00 75.30 C ATOM 29 CE1 HIS A 3 5.988 1.523 -8.734 1.00 4.51 C ATOM 30 NE2 HIS A 3 6.991 0.718 -8.437 1.00 64.22 N ATOM 0 H HIS A 3 6.508 4.567 -4.669 1.00 74.30 H new ATOM 0 HA HIS A 3 8.761 2.752 -5.259 1.00 71.34 H new ATOM 0 HB2 HIS A 3 7.456 4.758 -7.122 1.00 10.31 H new ATOM 0 HB3 HIS A 3 9.056 4.095 -7.387 1.00 10.31 H new ATOM 0 HD2 HIS A 3 8.869 1.039 -7.353 1.00 75.30 H new ATOM 0 HE1 HIS A 3 5.098 1.248 -9.281 1.00 4.51 H new ATOM 0 HE2 HIS A 3 7.054 -0.269 -8.688 1.00 64.22 H new ATOM 39 N MET A 4 10.424 4.516 -4.748 1.00 24.22 N ATOM 40 CA MET A 4 11.381 5.379 -4.055 1.00 74.34 C ATOM 41 C MET A 4 11.506 6.745 -4.719 1.00 53.14 C ATOM 42 O MET A 4 11.716 7.754 -4.044 1.00 34.52 O ATOM 43 CB MET A 4 12.760 4.710 -4.003 1.00 33.23 C ATOM 44 CG MET A 4 12.771 3.353 -3.314 1.00 44.04 C ATOM 45 SD MET A 4 11.940 2.067 -4.273 1.00 70.34 S ATOM 46 CE MET A 4 12.098 0.671 -3.164 1.00 13.33 C ATOM 0 H MET A 4 10.841 3.674 -5.145 1.00 24.22 H new ATOM 0 HA MET A 4 11.003 5.529 -3.044 1.00 74.34 H new ATOM 0 HB2 MET A 4 13.132 4.591 -5.021 1.00 33.23 H new ATOM 0 HB3 MET A 4 13.453 5.373 -3.486 1.00 33.23 H new ATOM 0 HG2 MET A 4 13.803 3.053 -3.132 1.00 44.04 H new ATOM 0 HG3 MET A 4 12.288 3.442 -2.341 1.00 44.04 H new ATOM 0 HE1 MET A 4 11.632 -0.206 -3.614 1.00 13.33 H new ATOM 0 HE2 MET A 4 13.153 0.468 -2.983 1.00 13.33 H new ATOM 0 HE3 MET A 4 11.605 0.899 -2.219 1.00 13.33 H new ATOM 56 N ASN A 5 11.366 6.772 -6.040 1.00 22.52 N ATOM 57 CA ASN A 5 11.542 7.996 -6.825 1.00 73.11 C ATOM 58 C ASN A 5 10.672 9.145 -6.313 1.00 10.31 C ATOM 59 O ASN A 5 11.100 10.299 -6.283 1.00 10.11 O ATOM 60 CB ASN A 5 11.230 7.721 -8.298 1.00 53.32 C ATOM 61 CG ASN A 5 11.183 8.986 -9.141 1.00 53.24 C ATOM 62 OD1 ASN A 5 10.123 9.584 -9.326 1.00 40.34 O ATOM 63 ND2 ASN A 5 12.332 9.404 -9.650 1.00 4.12 N ATOM 0 H ASN A 5 11.128 5.952 -6.598 1.00 22.52 H new ATOM 0 HA ASN A 5 12.582 8.304 -6.718 1.00 73.11 H new ATOM 0 HB2 ASN A 5 11.985 7.048 -8.704 1.00 53.32 H new ATOM 0 HB3 ASN A 5 10.272 7.206 -8.371 1.00 53.32 H new ATOM 0 HD21 ASN A 5 12.360 10.250 -10.219 1.00 4.12 H new ATOM 0 HD22 ASN A 5 13.189 8.880 -9.473 1.00 4.12 H new ATOM 70 N ARG A 6 9.456 8.819 -5.890 1.00 70.34 N ATOM 71 CA ARG A 6 8.501 9.839 -5.470 1.00 45.50 C ATOM 72 C ARG A 6 8.922 10.509 -4.167 1.00 22.34 C ATOM 73 O ARG A 6 8.681 11.702 -3.973 1.00 1.32 O ATOM 74 CB ARG A 6 7.110 9.233 -5.312 1.00 34.52 C ATOM 75 CG ARG A 6 6.475 8.819 -6.626 1.00 35.22 C ATOM 76 CD ARG A 6 5.089 8.243 -6.404 1.00 55.24 C ATOM 77 NE ARG A 6 4.241 9.145 -5.631 1.00 65.22 N ATOM 78 CZ ARG A 6 3.122 8.772 -5.016 1.00 12.53 C ATOM 79 NH1 ARG A 6 2.721 7.508 -5.064 1.00 43.31 N ATOM 80 NH2 ARG A 6 2.418 9.662 -4.330 1.00 11.12 N ATOM 0 H ARG A 6 9.109 7.862 -5.829 1.00 70.34 H new ATOM 0 HA ARG A 6 8.479 10.602 -6.248 1.00 45.50 H new ATOM 0 HB2 ARG A 6 7.174 8.363 -4.659 1.00 34.52 H new ATOM 0 HB3 ARG A 6 6.462 9.956 -4.817 1.00 34.52 H new ATOM 0 HG2 ARG A 6 6.412 9.681 -7.291 1.00 35.22 H new ATOM 0 HG3 ARG A 6 7.105 8.080 -7.121 1.00 35.22 H new ATOM 0 HD2 ARG A 6 4.621 8.042 -7.368 1.00 55.24 H new ATOM 0 HD3 ARG A 6 5.172 7.288 -5.884 1.00 55.24 H new ATOM 0 HE ARG A 6 4.524 10.122 -5.558 1.00 65.22 H new ATOM 0 HH11 ARG A 6 3.272 6.817 -5.574 1.00 43.31 H new ATOM 0 HH12 ARG A 6 1.862 7.227 -4.591 1.00 43.31 H new ATOM 0 HH21 ARG A 6 2.735 10.630 -4.275 1.00 11.12 H new ATOM 0 HH22 ARG A 6 1.560 9.379 -3.858 1.00 11.12 H new ATOM 94 N PHE A 7 9.563 9.747 -3.285 1.00 61.03 N ATOM 95 CA PHE A 7 9.951 10.261 -1.976 1.00 54.10 C ATOM 96 C PHE A 7 10.910 11.436 -2.126 1.00 14.21 C ATOM 97 O PHE A 7 10.741 12.473 -1.479 1.00 1.24 O ATOM 98 CB PHE A 7 10.596 9.158 -1.132 1.00 72.25 C ATOM 99 CG PHE A 7 10.841 9.562 0.295 1.00 31.43 C ATOM 100 CD1 PHE A 7 9.781 9.709 1.174 1.00 52.24 C ATOM 101 CD2 PHE A 7 12.127 9.795 0.756 1.00 4.00 C ATOM 102 CE1 PHE A 7 9.997 10.084 2.486 1.00 13.43 C ATOM 103 CE2 PHE A 7 12.349 10.171 2.066 1.00 61.21 C ATOM 104 CZ PHE A 7 11.283 10.313 2.933 1.00 73.30 C ATOM 0 H PHE A 7 9.824 8.775 -3.452 1.00 61.03 H new ATOM 0 HA PHE A 7 9.052 10.607 -1.466 1.00 54.10 H new ATOM 0 HB2 PHE A 7 9.954 8.277 -1.147 1.00 72.25 H new ATOM 0 HB3 PHE A 7 11.543 8.870 -1.588 1.00 72.25 H new ATOM 0 HD1 PHE A 7 8.773 9.528 0.830 1.00 52.24 H new ATOM 0 HD2 PHE A 7 12.964 9.681 0.084 1.00 4.00 H new ATOM 0 HE1 PHE A 7 9.161 10.198 3.161 1.00 13.43 H new ATOM 0 HE2 PHE A 7 13.355 10.354 2.413 1.00 61.21 H new ATOM 0 HZ PHE A 7 11.455 10.603 3.959 1.00 73.30 H new ATOM 114 N LEU A 8 11.898 11.275 -2.999 1.00 52.30 N ATOM 115 CA LEU A 8 12.873 12.328 -3.254 1.00 12.42 C ATOM 116 C LEU A 8 12.175 13.598 -3.725 1.00 4.34 C ATOM 117 O LEU A 8 12.400 14.677 -3.181 1.00 54.30 O ATOM 118 CB LEU A 8 13.906 11.889 -4.301 1.00 73.45 C ATOM 119 CG LEU A 8 14.975 10.897 -3.818 1.00 4.01 C ATOM 120 CD1 LEU A 8 14.380 9.522 -3.561 1.00 63.33 C ATOM 121 CD2 LEU A 8 16.108 10.808 -4.832 1.00 0.01 C ATOM 0 H LEU A 8 12.045 10.424 -3.542 1.00 52.30 H new ATOM 0 HA LEU A 8 13.394 12.529 -2.318 1.00 12.42 H new ATOM 0 HB2 LEU A 8 13.375 11.440 -5.140 1.00 73.45 H new ATOM 0 HB3 LEU A 8 14.409 12.778 -4.681 1.00 73.45 H new ATOM 0 HG LEU A 8 15.375 11.266 -2.874 1.00 4.01 H new ATOM 0 HD11 LEU A 8 15.163 8.845 -3.221 1.00 63.33 H new ATOM 0 HD12 LEU A 8 13.607 9.597 -2.796 1.00 63.33 H new ATOM 0 HD13 LEU A 8 13.942 9.137 -4.482 1.00 63.33 H new ATOM 0 HD21 LEU A 8 16.859 10.102 -4.478 1.00 0.01 H new ATOM 0 HD22 LEU A 8 15.713 10.468 -5.790 1.00 0.01 H new ATOM 0 HD23 LEU A 8 16.564 11.790 -4.956 1.00 0.01 H new ATOM 133 N THR A 9 11.307 13.452 -4.718 1.00 50.43 N ATOM 134 CA THR A 9 10.582 14.580 -5.283 1.00 11.00 C ATOM 135 C THR A 9 9.702 15.260 -4.231 1.00 63.12 C ATOM 136 O THR A 9 9.614 16.489 -4.188 1.00 22.31 O ATOM 137 CB THR A 9 9.722 14.128 -6.481 1.00 3.51 C ATOM 138 OG1 THR A 9 10.556 13.479 -7.452 1.00 24.21 O ATOM 139 CG2 THR A 9 9.011 15.308 -7.130 1.00 32.31 C ATOM 0 H THR A 9 11.088 12.555 -5.151 1.00 50.43 H new ATOM 0 HA THR A 9 11.318 15.305 -5.630 1.00 11.00 H new ATOM 0 HB THR A 9 8.965 13.435 -6.114 1.00 3.51 H new ATOM 0 HG1 THR A 9 10.009 13.190 -8.212 1.00 24.21 H new ATOM 0 HG21 THR A 9 8.414 14.955 -7.971 1.00 32.31 H new ATOM 0 HG22 THR A 9 8.361 15.788 -6.399 1.00 32.31 H new ATOM 0 HG23 THR A 9 9.749 16.027 -7.486 1.00 32.31 H new ATOM 147 N SER A 10 9.074 14.462 -3.372 1.00 65.42 N ATOM 148 CA SER A 10 8.225 14.999 -2.319 1.00 14.20 C ATOM 149 C SER A 10 9.050 15.831 -1.340 1.00 60.34 C ATOM 150 O SER A 10 8.617 16.899 -0.898 1.00 33.45 O ATOM 151 CB SER A 10 7.504 13.867 -1.582 1.00 14.00 C ATOM 152 OG SER A 10 6.511 14.375 -0.704 1.00 11.13 O ATOM 0 H SER A 10 9.138 13.444 -3.386 1.00 65.42 H new ATOM 0 HA SER A 10 7.476 15.645 -2.777 1.00 14.20 H new ATOM 0 HB2 SER A 10 7.043 13.194 -2.305 1.00 14.00 H new ATOM 0 HB3 SER A 10 8.227 13.280 -1.016 1.00 14.00 H new ATOM 0 HG SER A 10 6.066 13.631 -0.248 1.00 11.13 H new ATOM 158 N ILE A 11 10.243 15.344 -1.008 1.00 41.21 N ATOM 159 CA ILE A 11 11.154 16.081 -0.140 1.00 43.24 C ATOM 160 C ILE A 11 11.539 17.412 -0.783 1.00 34.21 C ATOM 161 O ILE A 11 11.514 18.455 -0.134 1.00 51.11 O ATOM 162 CB ILE A 11 12.430 15.263 0.170 1.00 63.44 C ATOM 163 CG1 ILE A 11 12.074 13.974 0.918 1.00 0.25 C ATOM 164 CG2 ILE A 11 13.422 16.087 0.979 1.00 53.04 C ATOM 165 CD1 ILE A 11 11.346 14.203 2.229 1.00 53.14 C ATOM 0 H ILE A 11 10.600 14.443 -1.327 1.00 41.21 H new ATOM 0 HA ILE A 11 10.634 16.268 0.799 1.00 43.24 H new ATOM 0 HB ILE A 11 12.899 14.998 -0.778 1.00 63.44 H new ATOM 0 HG12 ILE A 11 11.453 13.352 0.273 1.00 0.25 H new ATOM 0 HG13 ILE A 11 12.989 13.416 1.115 1.00 0.25 H new ATOM 0 HG21 ILE A 11 14.310 15.489 1.184 1.00 53.04 H new ATOM 0 HG22 ILE A 11 13.705 16.975 0.413 1.00 53.04 H new ATOM 0 HG23 ILE A 11 12.962 16.388 1.920 1.00 53.04 H new ATOM 0 HD11 ILE A 11 11.129 13.243 2.697 1.00 53.14 H new ATOM 0 HD12 ILE A 11 11.972 14.798 2.894 1.00 53.14 H new ATOM 0 HD13 ILE A 11 10.413 14.733 2.039 1.00 53.14 H new ATOM 177 N VAL A 12 11.874 17.363 -2.066 1.00 21.55 N ATOM 178 CA VAL A 12 12.218 18.559 -2.829 1.00 14.34 C ATOM 179 C VAL A 12 11.099 19.602 -2.761 1.00 13.44 C ATOM 180 O VAL A 12 11.354 20.784 -2.512 1.00 43.23 O ATOM 181 CB VAL A 12 12.499 18.212 -4.307 1.00 35.21 C ATOM 182 CG1 VAL A 12 12.837 19.459 -5.108 1.00 52.52 C ATOM 183 CG2 VAL A 12 13.621 17.194 -4.414 1.00 24.24 C ATOM 0 H VAL A 12 11.915 16.499 -2.606 1.00 21.55 H new ATOM 0 HA VAL A 12 13.120 18.976 -2.381 1.00 14.34 H new ATOM 0 HB VAL A 12 11.592 17.776 -4.726 1.00 35.21 H new ATOM 0 HG11 VAL A 12 13.030 19.184 -6.145 1.00 52.52 H new ATOM 0 HG12 VAL A 12 12.000 20.156 -5.067 1.00 52.52 H new ATOM 0 HG13 VAL A 12 13.724 19.933 -4.687 1.00 52.52 H new ATOM 0 HG21 VAL A 12 13.804 16.963 -5.463 1.00 24.24 H new ATOM 0 HG22 VAL A 12 14.528 17.604 -3.970 1.00 24.24 H new ATOM 0 HG23 VAL A 12 13.338 16.284 -3.886 1.00 24.24 H new ATOM 193 N ALA A 13 9.865 19.153 -2.974 1.00 44.22 N ATOM 194 CA ALA A 13 8.704 20.035 -2.917 1.00 63.42 C ATOM 195 C ALA A 13 8.564 20.649 -1.528 1.00 5.15 C ATOM 196 O ALA A 13 8.315 21.845 -1.387 1.00 60.31 O ATOM 197 CB ALA A 13 7.442 19.269 -3.289 1.00 50.45 C ATOM 0 H ALA A 13 9.643 18.181 -3.188 1.00 44.22 H new ATOM 0 HA ALA A 13 8.847 20.842 -3.635 1.00 63.42 H new ATOM 0 HB1 ALA A 13 6.583 19.938 -3.243 1.00 50.45 H new ATOM 0 HB2 ALA A 13 7.541 18.875 -4.300 1.00 50.45 H new ATOM 0 HB3 ALA A 13 7.298 18.445 -2.591 1.00 50.45 H new ATOM 203 N TRP A 14 8.741 19.818 -0.513 1.00 34.42 N ATOM 204 CA TRP A 14 8.678 20.253 0.875 1.00 42.25 C ATOM 205 C TRP A 14 9.754 21.300 1.174 1.00 70.10 C ATOM 206 O TRP A 14 9.468 22.350 1.756 1.00 3.04 O ATOM 207 CB TRP A 14 8.826 19.026 1.781 1.00 32.24 C ATOM 208 CG TRP A 14 9.046 19.323 3.234 1.00 61.43 C ATOM 209 CD1 TRP A 14 8.300 20.129 4.045 1.00 2.33 C ATOM 210 CD2 TRP A 14 10.085 18.780 4.052 1.00 1.21 C ATOM 211 NE1 TRP A 14 8.816 20.119 5.320 1.00 52.34 N ATOM 212 CE2 TRP A 14 9.915 19.298 5.347 1.00 5.51 C ATOM 213 CE3 TRP A 14 11.146 17.903 3.809 1.00 11.11 C ATOM 214 CZ2 TRP A 14 10.768 18.964 6.398 1.00 42.32 C ATOM 215 CZ3 TRP A 14 11.988 17.573 4.850 1.00 1.43 C ATOM 216 CH2 TRP A 14 11.797 18.102 6.129 1.00 73.14 C ATOM 0 H TRP A 14 8.932 18.823 -0.627 1.00 34.42 H new ATOM 0 HA TRP A 14 7.715 20.728 1.066 1.00 42.25 H new ATOM 0 HB2 TRP A 14 7.929 18.414 1.684 1.00 32.24 H new ATOM 0 HB3 TRP A 14 9.662 18.427 1.419 1.00 32.24 H new ATOM 0 HD1 TRP A 14 7.433 20.691 3.732 1.00 2.33 H new ATOM 0 HE1 TRP A 14 8.443 20.637 6.115 1.00 52.34 H new ATOM 0 HE3 TRP A 14 11.304 17.491 2.823 1.00 11.11 H new ATOM 0 HZ2 TRP A 14 10.622 19.370 7.388 1.00 42.32 H new ATOM 0 HZ3 TRP A 14 12.809 16.894 4.674 1.00 1.43 H new ATOM 0 HH2 TRP A 14 12.476 17.825 6.922 1.00 73.14 H new ATOM 227 N LEU A 15 10.980 21.021 0.747 1.00 2.10 N ATOM 228 CA LEU A 15 12.105 21.916 1.003 1.00 34.45 C ATOM 229 C LEU A 15 11.898 23.273 0.343 1.00 0.13 C ATOM 230 O LEU A 15 12.076 24.312 0.977 1.00 34.54 O ATOM 231 CB LEU A 15 13.414 21.298 0.509 1.00 11.03 C ATOM 232 CG LEU A 15 13.795 19.964 1.157 1.00 31.04 C ATOM 233 CD1 LEU A 15 15.175 19.527 0.694 1.00 61.44 C ATOM 234 CD2 LEU A 15 13.744 20.072 2.674 1.00 64.45 C ATOM 0 H LEU A 15 11.222 20.181 0.221 1.00 2.10 H new ATOM 0 HA LEU A 15 12.163 22.062 2.082 1.00 34.45 H new ATOM 0 HB2 LEU A 15 13.343 21.152 -0.569 1.00 11.03 H new ATOM 0 HB3 LEU A 15 14.221 22.010 0.682 1.00 11.03 H new ATOM 0 HG LEU A 15 13.073 19.209 0.847 1.00 31.04 H new ATOM 0 HD11 LEU A 15 15.432 18.577 1.163 1.00 61.44 H new ATOM 0 HD12 LEU A 15 15.175 19.408 -0.390 1.00 61.44 H new ATOM 0 HD13 LEU A 15 15.909 20.282 0.976 1.00 61.44 H new ATOM 0 HD21 LEU A 15 14.018 19.114 3.116 1.00 64.45 H new ATOM 0 HD22 LEU A 15 14.443 20.839 3.008 1.00 64.45 H new ATOM 0 HD23 LEU A 15 12.735 20.340 2.986 1.00 64.45 H new ATOM 246 N ARG A 16 11.513 23.267 -0.930 1.00 2.41 N ATOM 247 CA ARG A 16 11.318 24.515 -1.658 1.00 31.15 C ATOM 248 C ARG A 16 10.120 25.279 -1.098 1.00 5.31 C ATOM 249 O ARG A 16 10.150 26.501 -1.001 1.00 11.03 O ATOM 250 CB ARG A 16 11.152 24.265 -3.161 1.00 12.41 C ATOM 251 CG ARG A 16 9.896 23.501 -3.533 1.00 75.42 C ATOM 252 CD ARG A 16 9.821 23.241 -5.026 1.00 13.34 C ATOM 253 NE ARG A 16 8.589 22.549 -5.392 1.00 41.44 N ATOM 254 CZ ARG A 16 8.488 21.672 -6.388 1.00 71.15 C ATOM 255 NH1 ARG A 16 9.550 21.363 -7.123 1.00 44.40 N ATOM 256 NH2 ARG A 16 7.319 21.102 -6.643 1.00 61.31 N ATOM 0 H ARG A 16 11.332 22.423 -1.473 1.00 2.41 H new ATOM 0 HA ARG A 16 12.211 25.125 -1.523 1.00 31.15 H new ATOM 0 HB2 ARG A 16 11.146 25.224 -3.678 1.00 12.41 H new ATOM 0 HB3 ARG A 16 12.019 23.713 -3.523 1.00 12.41 H new ATOM 0 HG2 ARG A 16 9.874 22.552 -2.997 1.00 75.42 H new ATOM 0 HG3 ARG A 16 9.019 24.066 -3.217 1.00 75.42 H new ATOM 0 HD2 ARG A 16 9.880 24.187 -5.564 1.00 13.34 H new ATOM 0 HD3 ARG A 16 10.679 22.644 -5.335 1.00 13.34 H new ATOM 0 HE ARG A 16 7.750 22.751 -4.848 1.00 41.44 H new ATOM 0 HH11 ARG A 16 10.451 21.799 -6.926 1.00 44.40 H new ATOM 0 HH12 ARG A 16 9.465 20.690 -7.885 1.00 44.40 H new ATOM 0 HH21 ARG A 16 6.503 21.336 -6.077 1.00 61.31 H new ATOM 0 HH22 ARG A 16 7.235 20.429 -7.405 1.00 61.31 H new ATOM 270 N ALA A 17 9.077 24.553 -0.699 1.00 2.12 N ATOM 271 CA ALA A 17 7.907 25.173 -0.091 1.00 33.54 C ATOM 272 C ALA A 17 8.284 25.811 1.239 1.00 24.54 C ATOM 273 O ALA A 17 7.715 26.827 1.638 1.00 1.33 O ATOM 274 CB ALA A 17 6.798 24.150 0.104 1.00 34.13 C ATOM 0 H ALA A 17 9.021 23.538 -0.786 1.00 2.12 H new ATOM 0 HA ALA A 17 7.539 25.950 -0.760 1.00 33.54 H new ATOM 0 HB1 ALA A 17 5.933 24.633 0.559 1.00 34.13 H new ATOM 0 HB2 ALA A 17 6.514 23.733 -0.862 1.00 34.13 H new ATOM 0 HB3 ALA A 17 7.151 23.350 0.755 1.00 34.13 H new ATOM 280 N GLY A 18 9.253 25.199 1.914 1.00 51.14 N ATOM 281 CA GLY A 18 9.771 25.751 3.148 1.00 30.22 C ATOM 282 C GLY A 18 10.470 27.081 2.943 1.00 44.24 C ATOM 283 O GLY A 18 10.485 27.922 3.841 1.00 11.14 O ATOM 0 H GLY A 18 9.690 24.324 1.623 1.00 51.14 H new ATOM 0 HA2 GLY A 18 8.952 25.880 3.856 1.00 30.22 H new ATOM 0 HA3 GLY A 18 10.469 25.043 3.594 1.00 30.22 H new ATOM 287 N TYR A 19 11.038 27.281 1.757 1.00 34.05 N ATOM 288 CA TYR A 19 11.756 28.511 1.455 1.00 45.12 C ATOM 289 C TYR A 19 11.384 29.038 0.074 1.00 10.22 C ATOM 290 O TYR A 19 12.109 28.818 -0.897 1.00 41.13 O ATOM 291 CB TYR A 19 13.271 28.298 1.532 1.00 74.13 C ATOM 292 CG TYR A 19 13.812 28.201 2.942 1.00 10.41 C ATOM 293 CD1 TYR A 19 14.102 29.348 3.670 1.00 25.43 C ATOM 294 CD2 TYR A 19 14.039 26.967 3.543 1.00 61.34 C ATOM 295 CE1 TYR A 19 14.599 29.269 4.957 1.00 22.44 C ATOM 296 CE2 TYR A 19 14.534 26.884 4.827 1.00 73.24 C ATOM 297 CZ TYR A 19 14.814 28.034 5.529 1.00 34.14 C ATOM 298 OH TYR A 19 15.306 27.946 6.809 1.00 52.11 O ATOM 0 H TYR A 19 11.014 26.607 0.992 1.00 34.05 H new ATOM 0 HA TYR A 19 11.465 29.248 2.204 1.00 45.12 H new ATOM 0 HB2 TYR A 19 13.526 27.386 0.993 1.00 74.13 H new ATOM 0 HB3 TYR A 19 13.769 29.121 1.019 1.00 74.13 H new ATOM 0 HD1 TYR A 19 13.936 30.317 3.223 1.00 25.43 H new ATOM 0 HD2 TYR A 19 13.824 26.061 2.996 1.00 61.34 H new ATOM 0 HE1 TYR A 19 14.818 30.170 5.511 1.00 22.44 H new ATOM 0 HE2 TYR A 19 14.702 25.918 5.281 1.00 73.24 H new ATOM 0 HH TYR A 19 14.746 27.336 7.333 1.00 52.11 H new ATOM 308 N PRO A 20 10.252 29.750 -0.033 1.00 2.25 N ATOM 309 CA PRO A 20 9.789 30.317 -1.306 1.00 33.00 C ATOM 310 C PRO A 20 10.604 31.543 -1.717 1.00 63.40 C ATOM 311 O PRO A 20 10.298 32.207 -2.707 1.00 22.41 O ATOM 312 CB PRO A 20 8.341 30.707 -1.010 1.00 62.04 C ATOM 313 CG PRO A 20 8.313 30.977 0.455 1.00 43.04 C ATOM 314 CD PRO A 20 9.320 30.046 1.075 1.00 11.52 C ATOM 0 HA PRO A 20 9.892 29.615 -2.134 1.00 33.00 H new ATOM 0 HB2 PRO A 20 8.044 31.587 -1.580 1.00 62.04 H new ATOM 0 HB3 PRO A 20 7.652 29.906 -1.278 1.00 62.04 H new ATOM 0 HG2 PRO A 20 8.565 32.017 0.664 1.00 43.04 H new ATOM 0 HG3 PRO A 20 7.318 30.802 0.864 1.00 43.04 H new ATOM 0 HD2 PRO A 20 9.833 30.513 1.916 1.00 11.52 H new ATOM 0 HD3 PRO A 20 8.847 29.140 1.454 1.00 11.52 H new ATOM 322 N GLU A 21 11.637 31.827 -0.939 1.00 2.11 N ATOM 323 CA GLU A 21 12.514 32.961 -1.182 1.00 73.24 C ATOM 324 C GLU A 21 13.917 32.475 -1.536 1.00 20.44 C ATOM 325 O GLU A 21 14.830 33.271 -1.758 1.00 40.30 O ATOM 326 CB GLU A 21 12.563 33.842 0.069 1.00 43.24 C ATOM 327 CG GLU A 21 12.994 33.087 1.317 1.00 22.23 C ATOM 328 CD GLU A 21 12.780 33.880 2.586 1.00 20.12 C ATOM 329 OE1 GLU A 21 13.677 34.656 2.972 1.00 51.00 O ATOM 330 OE2 GLU A 21 11.714 33.718 3.214 1.00 52.40 O ATOM 0 H GLU A 21 11.891 31.276 -0.119 1.00 2.11 H new ATOM 0 HA GLU A 21 12.127 33.542 -2.019 1.00 73.24 H new ATOM 0 HB2 GLU A 21 13.252 34.669 -0.104 1.00 43.24 H new ATOM 0 HB3 GLU A 21 11.578 34.278 0.238 1.00 43.24 H new ATOM 0 HG2 GLU A 21 12.438 32.152 1.380 1.00 22.23 H new ATOM 0 HG3 GLU A 21 14.049 32.825 1.231 1.00 22.23 H new ATOM 337 N GLY A 22 14.074 31.157 -1.592 1.00 34.52 N ATOM 338 CA GLY A 22 15.380 30.574 -1.824 1.00 33.44 C ATOM 339 C GLY A 22 16.114 30.305 -0.528 1.00 53.53 C ATOM 340 O GLY A 22 16.112 31.145 0.372 1.00 11.30 O ATOM 0 H GLY A 22 13.318 30.482 -1.480 1.00 34.52 H new ATOM 0 HA2 GLY A 22 15.269 29.642 -2.379 1.00 33.44 H new ATOM 0 HA3 GLY A 22 15.973 31.246 -2.445 1.00 33.44 H new ATOM 344 N ILE A 23 16.739 29.140 -0.430 1.00 21.02 N ATOM 345 CA ILE A 23 17.450 28.755 0.784 1.00 2.44 C ATOM 346 C ILE A 23 18.761 29.526 0.909 1.00 35.10 C ATOM 347 O ILE A 23 19.625 29.446 0.030 1.00 4.14 O ATOM 348 CB ILE A 23 17.759 27.241 0.816 1.00 73.03 C ATOM 349 CG1 ILE A 23 16.481 26.428 0.602 1.00 44.05 C ATOM 350 CG2 ILE A 23 18.414 26.861 2.142 1.00 11.14 C ATOM 351 CD1 ILE A 23 16.717 24.934 0.545 1.00 33.31 C ATOM 0 H ILE A 23 16.769 28.444 -1.175 1.00 21.02 H new ATOM 0 HA ILE A 23 16.795 28.996 1.621 1.00 2.44 H new ATOM 0 HB ILE A 23 18.453 27.013 0.007 1.00 73.03 H new ATOM 0 HG12 ILE A 23 15.782 26.647 1.409 1.00 44.05 H new ATOM 0 HG13 ILE A 23 16.007 26.748 -0.326 1.00 44.05 H new ATOM 0 HG21 ILE A 23 18.626 25.792 2.150 1.00 11.14 H new ATOM 0 HG22 ILE A 23 19.345 27.416 2.260 1.00 11.14 H new ATOM 0 HG23 ILE A 23 17.740 27.103 2.963 1.00 11.14 H new ATOM 0 HD11 ILE A 23 15.767 24.421 0.391 1.00 33.31 H new ATOM 0 HD12 ILE A 23 17.391 24.703 -0.280 1.00 33.31 H new ATOM 0 HD13 ILE A 23 17.162 24.600 1.482 1.00 33.31 H new ATOM 363 N PRO A 24 18.904 30.311 1.985 1.00 3.32 N ATOM 364 CA PRO A 24 20.146 31.020 2.292 1.00 71.45 C ATOM 365 C PRO A 24 21.224 30.074 2.835 1.00 31.25 C ATOM 366 O PRO A 24 20.936 28.940 3.212 1.00 10.15 O ATOM 367 CB PRO A 24 19.715 32.026 3.364 1.00 34.22 C ATOM 368 CG PRO A 24 18.549 31.392 4.038 1.00 32.44 C ATOM 369 CD PRO A 24 17.850 30.572 2.988 1.00 74.45 C ATOM 0 HA PRO A 24 20.592 31.484 1.412 1.00 71.45 H new ATOM 0 HB2 PRO A 24 20.522 32.220 4.070 1.00 34.22 H new ATOM 0 HB3 PRO A 24 19.442 32.984 2.920 1.00 34.22 H new ATOM 0 HG2 PRO A 24 18.873 30.765 4.869 1.00 32.44 H new ATOM 0 HG3 PRO A 24 17.880 32.147 4.451 1.00 32.44 H new ATOM 0 HD2 PRO A 24 17.454 29.645 3.402 1.00 74.45 H new ATOM 0 HD3 PRO A 24 17.009 31.112 2.553 1.00 74.45 H new ATOM 377 N PRO A 25 22.488 30.521 2.893 1.00 35.02 N ATOM 378 CA PRO A 25 23.594 29.689 3.373 1.00 12.04 C ATOM 379 C PRO A 25 23.686 29.644 4.898 1.00 11.40 C ATOM 380 O PRO A 25 24.747 29.364 5.454 1.00 22.20 O ATOM 381 CB PRO A 25 24.815 30.393 2.789 1.00 2.20 C ATOM 382 CG PRO A 25 24.430 31.831 2.750 1.00 24.32 C ATOM 383 CD PRO A 25 22.949 31.863 2.478 1.00 72.20 C ATOM 0 HA PRO A 25 23.484 28.647 3.074 1.00 12.04 H new ATOM 0 HB2 PRO A 25 25.698 30.235 3.407 1.00 2.20 H new ATOM 0 HB3 PRO A 25 25.052 30.018 1.793 1.00 2.20 H new ATOM 0 HG2 PRO A 25 24.663 32.322 3.695 1.00 24.32 H new ATOM 0 HG3 PRO A 25 24.980 32.360 1.972 1.00 24.32 H new ATOM 0 HD2 PRO A 25 22.454 32.650 3.047 1.00 72.20 H new ATOM 0 HD3 PRO A 25 22.739 32.051 1.425 1.00 72.20 H new ATOM 391 N THR A 26 22.577 29.902 5.572 1.00 51.12 N ATOM 392 CA THR A 26 22.578 29.985 7.023 1.00 71.04 C ATOM 393 C THR A 26 21.729 28.888 7.660 1.00 51.20 C ATOM 394 O THR A 26 21.721 28.747 8.881 1.00 74.44 O ATOM 395 CB THR A 26 22.084 31.369 7.506 1.00 21.22 C ATOM 396 OG1 THR A 26 22.140 31.442 8.935 1.00 52.23 O ATOM 397 CG2 THR A 26 20.658 31.637 7.046 1.00 51.12 C ATOM 0 H THR A 26 21.667 30.057 5.139 1.00 51.12 H new ATOM 0 HA THR A 26 23.611 29.845 7.340 1.00 71.04 H new ATOM 0 HB THR A 26 22.739 32.125 7.072 1.00 21.22 H new ATOM 0 HG1 THR A 26 22.108 30.537 9.310 1.00 52.23 H new ATOM 0 HG21 THR A 26 20.339 32.617 7.401 1.00 51.12 H new ATOM 0 HG22 THR A 26 20.617 31.614 5.957 1.00 51.12 H new ATOM 0 HG23 THR A 26 19.995 30.872 7.450 1.00 51.12 H new ATOM 405 N ASP A 27 21.016 28.125 6.839 1.00 40.23 N ATOM 406 CA ASP A 27 20.135 27.075 7.350 1.00 64.21 C ATOM 407 C ASP A 27 20.387 25.748 6.640 1.00 23.45 C ATOM 408 O ASP A 27 19.803 24.722 6.988 1.00 13.20 O ATOM 409 CB ASP A 27 18.675 27.479 7.155 1.00 62.14 C ATOM 410 CG ASP A 27 18.280 27.497 5.700 1.00 1.21 C ATOM 411 OD1 ASP A 27 18.693 28.433 4.990 1.00 12.42 O ATOM 412 OD2 ASP A 27 17.551 26.584 5.272 1.00 22.33 O ATOM 0 H ASP A 27 21.028 28.211 5.823 1.00 40.23 H new ATOM 0 HA ASP A 27 20.347 26.948 8.412 1.00 64.21 H new ATOM 0 HB2 ASP A 27 18.032 26.785 7.696 1.00 62.14 H new ATOM 0 HB3 ASP A 27 18.512 28.467 7.587 1.00 62.14 H new ATOM 417 N SER A 28 21.269 25.773 5.652 1.00 54.23 N ATOM 418 CA SER A 28 21.545 24.602 4.833 1.00 53.34 C ATOM 419 C SER A 28 22.093 23.445 5.668 1.00 42.43 C ATOM 420 O SER A 28 21.783 22.274 5.411 1.00 42.13 O ATOM 421 CB SER A 28 22.534 24.984 3.741 1.00 4.45 C ATOM 422 OG SER A 28 23.616 25.718 4.288 1.00 12.42 O ATOM 0 H SER A 28 21.810 26.599 5.397 1.00 54.23 H new ATOM 0 HA SER A 28 20.611 24.261 4.386 1.00 53.34 H new ATOM 0 HB2 SER A 28 22.907 24.086 3.250 1.00 4.45 H new ATOM 0 HB3 SER A 28 22.031 25.579 2.978 1.00 4.45 H new ATOM 0 HG SER A 28 24.462 25.328 3.985 1.00 12.42 H new ATOM 428 N PHE A 29 22.903 23.774 6.669 1.00 42.55 N ATOM 429 CA PHE A 29 23.480 22.766 7.549 1.00 4.12 C ATOM 430 C PHE A 29 22.381 22.123 8.391 1.00 35.43 C ATOM 431 O PHE A 29 22.403 20.919 8.649 1.00 12.15 O ATOM 432 CB PHE A 29 24.567 23.373 8.448 1.00 33.34 C ATOM 433 CG PHE A 29 25.840 23.766 7.731 1.00 34.33 C ATOM 434 CD1 PHE A 29 25.810 24.350 6.474 1.00 60.53 C ATOM 435 CD2 PHE A 29 27.072 23.576 8.338 1.00 24.54 C ATOM 436 CE1 PHE A 29 26.975 24.734 5.841 1.00 42.44 C ATOM 437 CE2 PHE A 29 28.241 23.954 7.708 1.00 25.20 C ATOM 438 CZ PHE A 29 28.192 24.536 6.458 1.00 14.20 C ATOM 0 H PHE A 29 23.174 24.732 6.891 1.00 42.55 H new ATOM 0 HA PHE A 29 23.950 21.998 6.934 1.00 4.12 H new ATOM 0 HB2 PHE A 29 24.159 24.254 8.942 1.00 33.34 H new ATOM 0 HB3 PHE A 29 24.814 22.655 9.230 1.00 33.34 H new ATOM 0 HD1 PHE A 29 24.861 24.507 5.983 1.00 60.53 H new ATOM 0 HD2 PHE A 29 27.118 23.125 9.318 1.00 24.54 H new ATOM 0 HE1 PHE A 29 26.933 25.189 4.863 1.00 42.44 H new ATOM 0 HE2 PHE A 29 29.193 23.794 8.193 1.00 25.20 H new ATOM 0 HZ PHE A 29 29.105 24.836 5.964 1.00 14.20 H new ATOM 448 N ALA A 30 21.412 22.928 8.795 1.00 14.21 N ATOM 449 CA ALA A 30 20.257 22.428 9.517 1.00 35.22 C ATOM 450 C ALA A 30 19.422 21.518 8.629 1.00 13.34 C ATOM 451 O ALA A 30 18.990 20.450 9.060 1.00 31.42 O ATOM 452 CB ALA A 30 19.418 23.578 10.024 1.00 43.15 C ATOM 0 H ALA A 30 21.404 23.935 8.633 1.00 14.21 H new ATOM 0 HA ALA A 30 20.609 21.848 10.370 1.00 35.22 H new ATOM 0 HB1 ALA A 30 18.555 23.188 10.564 1.00 43.15 H new ATOM 0 HB2 ALA A 30 20.015 24.197 10.693 1.00 43.15 H new ATOM 0 HB3 ALA A 30 19.078 24.179 9.181 1.00 43.15 H new ATOM 458 N VAL A 31 19.200 21.945 7.389 1.00 22.11 N ATOM 459 CA VAL A 31 18.490 21.125 6.414 1.00 35.35 C ATOM 460 C VAL A 31 19.118 19.742 6.326 1.00 24.34 C ATOM 461 O VAL A 31 18.441 18.728 6.497 1.00 23.22 O ATOM 462 CB VAL A 31 18.498 21.753 5.003 1.00 1.31 C ATOM 463 CG1 VAL A 31 17.845 20.810 4.002 1.00 65.31 C ATOM 464 CG2 VAL A 31 17.800 23.104 5.001 1.00 4.31 C ATOM 0 H VAL A 31 19.502 22.853 7.036 1.00 22.11 H new ATOM 0 HA VAL A 31 17.458 21.057 6.759 1.00 35.35 H new ATOM 0 HB VAL A 31 19.535 21.913 4.707 1.00 1.31 H new ATOM 0 HG11 VAL A 31 17.857 21.265 3.012 1.00 65.31 H new ATOM 0 HG12 VAL A 31 18.395 19.869 3.976 1.00 65.31 H new ATOM 0 HG13 VAL A 31 16.814 20.619 4.301 1.00 65.31 H new ATOM 0 HG21 VAL A 31 17.821 23.523 3.995 1.00 4.31 H new ATOM 0 HG22 VAL A 31 16.765 22.980 5.321 1.00 4.31 H new ATOM 0 HG23 VAL A 31 18.313 23.779 5.686 1.00 4.31 H new ATOM 474 N LEU A 32 20.421 19.711 6.081 1.00 10.50 N ATOM 475 CA LEU A 32 21.134 18.453 5.943 1.00 25.41 C ATOM 476 C LEU A 32 21.115 17.676 7.259 1.00 40.04 C ATOM 477 O LEU A 32 21.093 16.452 7.252 1.00 73.03 O ATOM 478 CB LEU A 32 22.563 18.699 5.439 1.00 30.42 C ATOM 479 CG LEU A 32 23.533 19.306 6.447 1.00 42.24 C ATOM 480 CD1 LEU A 32 24.186 18.210 7.263 1.00 63.55 C ATOM 481 CD2 LEU A 32 24.577 20.153 5.746 1.00 45.32 C ATOM 0 H LEU A 32 21.003 20.542 5.974 1.00 10.50 H new ATOM 0 HA LEU A 32 20.627 17.839 5.199 1.00 25.41 H new ATOM 0 HB2 LEU A 32 22.974 17.750 5.095 1.00 30.42 H new ATOM 0 HB3 LEU A 32 22.513 19.357 4.572 1.00 30.42 H new ATOM 0 HG LEU A 32 22.975 19.956 7.121 1.00 42.24 H new ATOM 0 HD11 LEU A 32 24.877 18.653 7.980 1.00 63.55 H new ATOM 0 HD12 LEU A 32 23.420 17.648 7.797 1.00 63.55 H new ATOM 0 HD13 LEU A 32 24.732 17.539 6.600 1.00 63.55 H new ATOM 0 HD21 LEU A 32 25.258 20.576 6.484 1.00 45.32 H new ATOM 0 HD22 LEU A 32 25.139 19.533 5.047 1.00 45.32 H new ATOM 0 HD23 LEU A 32 24.086 20.960 5.202 1.00 45.32 H new ATOM 493 N ALA A 33 21.104 18.390 8.383 1.00 25.31 N ATOM 494 CA ALA A 33 21.032 17.749 9.694 1.00 12.22 C ATOM 495 C ALA A 33 19.716 16.999 9.865 1.00 4.10 C ATOM 496 O ALA A 33 19.700 15.828 10.249 1.00 40.14 O ATOM 497 CB ALA A 33 21.191 18.780 10.799 1.00 3.22 C ATOM 0 H ALA A 33 21.144 19.409 8.412 1.00 25.31 H new ATOM 0 HA ALA A 33 21.848 17.030 9.761 1.00 12.22 H new ATOM 0 HB1 ALA A 33 21.135 18.286 11.769 1.00 3.22 H new ATOM 0 HB2 ALA A 33 22.157 19.274 10.699 1.00 3.22 H new ATOM 0 HB3 ALA A 33 20.395 19.521 10.723 1.00 3.22 H new ATOM 503 N LEU A 34 18.615 17.679 9.573 1.00 53.14 N ATOM 504 CA LEU A 34 17.290 17.084 9.699 1.00 63.15 C ATOM 505 C LEU A 34 17.097 15.970 8.681 1.00 74.13 C ATOM 506 O LEU A 34 16.566 14.905 9.003 1.00 75.13 O ATOM 507 CB LEU A 34 16.192 18.142 9.538 1.00 2.44 C ATOM 508 CG LEU A 34 15.817 18.901 10.817 1.00 20.15 C ATOM 509 CD1 LEU A 34 15.449 17.927 11.929 1.00 40.53 C ATOM 510 CD2 LEU A 34 16.946 19.816 11.261 1.00 2.14 C ATOM 0 H LEU A 34 18.613 18.645 9.246 1.00 53.14 H new ATOM 0 HA LEU A 34 17.213 16.659 10.700 1.00 63.15 H new ATOM 0 HB2 LEU A 34 16.514 18.865 8.788 1.00 2.44 H new ATOM 0 HB3 LEU A 34 15.297 17.656 9.148 1.00 2.44 H new ATOM 0 HG LEU A 34 14.948 19.521 10.598 1.00 20.15 H new ATOM 0 HD11 LEU A 34 15.186 18.484 12.828 1.00 40.53 H new ATOM 0 HD12 LEU A 34 14.599 17.321 11.616 1.00 40.53 H new ATOM 0 HD13 LEU A 34 16.299 17.278 12.140 1.00 40.53 H new ATOM 0 HD21 LEU A 34 16.653 20.341 12.170 1.00 2.14 H new ATOM 0 HD22 LEU A 34 17.839 19.223 11.457 1.00 2.14 H new ATOM 0 HD23 LEU A 34 17.157 20.541 10.475 1.00 2.14 H new ATOM 522 N LEU A 35 17.547 16.212 7.457 1.00 33.13 N ATOM 523 CA LEU A 35 17.416 15.229 6.396 1.00 40.52 C ATOM 524 C LEU A 35 18.302 14.019 6.656 1.00 5.24 C ATOM 525 O LEU A 35 17.942 12.907 6.294 1.00 72.35 O ATOM 526 CB LEU A 35 17.753 15.842 5.035 1.00 55.52 C ATOM 527 CG LEU A 35 16.747 16.872 4.519 1.00 3.21 C ATOM 528 CD1 LEU A 35 17.159 17.368 3.143 1.00 51.22 C ATOM 529 CD2 LEU A 35 15.349 16.277 4.473 1.00 64.40 C ATOM 0 H LEU A 35 18.005 17.079 7.177 1.00 33.13 H new ATOM 0 HA LEU A 35 16.377 14.900 6.382 1.00 40.52 H new ATOM 0 HB2 LEU A 35 18.733 16.315 5.100 1.00 55.52 H new ATOM 0 HB3 LEU A 35 17.835 15.039 4.303 1.00 55.52 H new ATOM 0 HG LEU A 35 16.736 17.719 5.205 1.00 3.21 H new ATOM 0 HD11 LEU A 35 16.434 18.100 2.788 1.00 51.22 H new ATOM 0 HD12 LEU A 35 18.144 17.832 3.203 1.00 51.22 H new ATOM 0 HD13 LEU A 35 17.195 16.528 2.449 1.00 51.22 H new ATOM 0 HD21 LEU A 35 14.647 17.025 4.103 1.00 64.40 H new ATOM 0 HD22 LEU A 35 15.343 15.413 3.808 1.00 64.40 H new ATOM 0 HD23 LEU A 35 15.053 15.966 5.475 1.00 64.40 H new ATOM 541 N CYS A 36 19.444 14.240 7.298 1.00 33.14 N ATOM 542 CA CYS A 36 20.399 13.161 7.576 1.00 11.42 C ATOM 543 C CYS A 36 19.805 12.085 8.490 1.00 12.21 C ATOM 544 O CYS A 36 20.257 10.938 8.483 1.00 70.34 O ATOM 545 CB CYS A 36 21.683 13.716 8.203 1.00 4.50 C ATOM 546 SG CYS A 36 22.968 12.472 8.466 1.00 54.32 S ATOM 0 H CYS A 36 19.736 15.156 7.638 1.00 33.14 H new ATOM 0 HA CYS A 36 20.635 12.698 6.618 1.00 11.42 H new ATOM 0 HB2 CYS A 36 22.079 14.502 7.560 1.00 4.50 H new ATOM 0 HB3 CYS A 36 21.438 14.179 9.159 1.00 4.50 H new ATOM 0 HG CYS A 36 22.419 11.300 8.590 1.00 54.32 H new ATOM 552 N ARG A 37 18.802 12.444 9.285 1.00 51.20 N ATOM 553 CA ARG A 37 18.152 11.465 10.151 1.00 34.43 C ATOM 554 C ARG A 37 17.097 10.687 9.376 1.00 14.35 C ATOM 555 O ARG A 37 16.654 9.619 9.800 1.00 42.53 O ATOM 556 CB ARG A 37 17.513 12.131 11.371 1.00 32.30 C ATOM 557 CG ARG A 37 18.510 12.804 12.299 1.00 43.23 C ATOM 558 CD ARG A 37 17.891 13.084 13.658 1.00 5.05 C ATOM 559 NE ARG A 37 17.584 11.848 14.382 1.00 43.43 N ATOM 560 CZ ARG A 37 16.483 11.652 15.110 1.00 2.44 C ATOM 561 NH1 ARG A 37 15.563 12.602 15.215 1.00 61.42 N ATOM 562 NH2 ARG A 37 16.293 10.495 15.731 1.00 55.24 N ATOM 0 H ARG A 37 18.426 13.390 9.348 1.00 51.20 H new ATOM 0 HA ARG A 37 18.921 10.777 10.503 1.00 34.43 H new ATOM 0 HB2 ARG A 37 16.791 12.873 11.031 1.00 32.30 H new ATOM 0 HB3 ARG A 37 16.958 11.380 11.933 1.00 32.30 H new ATOM 0 HG2 ARG A 37 19.386 12.167 12.420 1.00 43.23 H new ATOM 0 HG3 ARG A 37 18.853 13.738 11.853 1.00 43.23 H new ATOM 0 HD2 ARG A 37 18.575 13.692 14.250 1.00 5.05 H new ATOM 0 HD3 ARG A 37 16.978 13.666 13.529 1.00 5.05 H new ATOM 0 HE ARG A 37 18.258 11.085 14.326 1.00 43.43 H new ATOM 0 HH11 ARG A 37 15.693 13.493 14.736 1.00 61.42 H new ATOM 0 HH12 ARG A 37 14.725 12.441 15.774 1.00 61.42 H new ATOM 0 HH21 ARG A 37 16.989 9.754 15.652 1.00 55.24 H new ATOM 0 HH22 ARG A 37 15.451 10.347 16.287 1.00 55.24 H new ATOM 576 N ARG A 38 16.706 11.229 8.232 1.00 2.53 N ATOM 577 CA ARG A 38 15.707 10.597 7.386 1.00 2.05 C ATOM 578 C ARG A 38 16.399 9.787 6.293 1.00 61.41 C ATOM 579 O ARG A 38 16.089 8.617 6.073 1.00 11.31 O ATOM 580 CB ARG A 38 14.793 11.665 6.766 1.00 23.14 C ATOM 581 CG ARG A 38 13.579 11.103 6.039 1.00 24.55 C ATOM 582 CD ARG A 38 12.727 10.249 6.961 1.00 5.44 C ATOM 583 NE ARG A 38 11.317 10.250 6.570 1.00 52.14 N ATOM 584 CZ ARG A 38 10.510 9.194 6.670 1.00 24.15 C ATOM 585 NH1 ARG A 38 10.990 8.010 7.027 1.00 53.54 N ATOM 586 NH2 ARG A 38 9.222 9.325 6.380 1.00 25.01 N ATOM 0 H ARG A 38 17.068 12.110 7.868 1.00 2.53 H new ATOM 0 HA ARG A 38 15.095 9.925 7.989 1.00 2.05 H new ATOM 0 HB2 ARG A 38 14.452 12.337 7.554 1.00 23.14 H new ATOM 0 HB3 ARG A 38 15.376 12.264 6.067 1.00 23.14 H new ATOM 0 HG2 ARG A 38 12.979 11.922 5.642 1.00 24.55 H new ATOM 0 HG3 ARG A 38 13.907 10.506 5.188 1.00 24.55 H new ATOM 0 HD2 ARG A 38 13.103 9.226 6.956 1.00 5.44 H new ATOM 0 HD3 ARG A 38 12.819 10.617 7.983 1.00 5.44 H new ATOM 0 HE ARG A 38 10.926 11.115 6.197 1.00 52.14 H new ATOM 0 HH11 ARG A 38 11.984 7.902 7.228 1.00 53.54 H new ATOM 0 HH12 ARG A 38 10.365 7.207 7.101 1.00 53.54 H new ATOM 0 HH21 ARG A 38 8.856 10.229 6.083 1.00 25.01 H new ATOM 0 HH22 ARG A 38 8.598 8.521 6.454 1.00 25.01 H new ATOM 600 N LEU A 39 17.358 10.422 5.639 1.00 65.23 N ATOM 601 CA LEU A 39 18.111 9.811 4.557 1.00 20.15 C ATOM 602 C LEU A 39 19.603 10.039 4.783 1.00 65.21 C ATOM 603 O LEU A 39 19.987 10.953 5.508 1.00 43.15 O ATOM 604 CB LEU A 39 17.682 10.413 3.218 1.00 10.31 C ATOM 605 CG LEU A 39 16.205 10.229 2.857 1.00 51.21 C ATOM 606 CD1 LEU A 39 15.855 11.060 1.632 1.00 2.22 C ATOM 607 CD2 LEU A 39 15.899 8.760 2.605 1.00 20.33 C ATOM 0 H LEU A 39 17.637 11.381 5.845 1.00 65.23 H new ATOM 0 HA LEU A 39 17.912 8.739 4.538 1.00 20.15 H new ATOM 0 HB2 LEU A 39 17.905 11.480 3.231 1.00 10.31 H new ATOM 0 HB3 LEU A 39 18.289 9.970 2.429 1.00 10.31 H new ATOM 0 HG LEU A 39 15.597 10.570 3.695 1.00 51.21 H new ATOM 0 HD11 LEU A 39 14.802 10.920 1.386 1.00 2.22 H new ATOM 0 HD12 LEU A 39 16.042 12.113 1.841 1.00 2.22 H new ATOM 0 HD13 LEU A 39 16.470 10.743 0.790 1.00 2.22 H new ATOM 0 HD21 LEU A 39 14.845 8.646 2.350 1.00 20.33 H new ATOM 0 HD22 LEU A 39 16.513 8.397 1.781 1.00 20.33 H new ATOM 0 HD23 LEU A 39 16.119 8.183 3.503 1.00 20.33 H new ATOM 619 N SER A 40 20.437 9.228 4.162 1.00 0.33 N ATOM 620 CA SER A 40 21.871 9.288 4.399 1.00 2.24 C ATOM 621 C SER A 40 22.553 10.307 3.477 1.00 60.02 C ATOM 622 O SER A 40 21.910 10.944 2.638 1.00 20.13 O ATOM 623 CB SER A 40 22.496 7.900 4.243 1.00 31.30 C ATOM 624 OG SER A 40 23.857 7.893 4.653 1.00 44.04 O ATOM 0 H SER A 40 20.149 8.518 3.489 1.00 0.33 H new ATOM 0 HA SER A 40 22.028 9.624 5.424 1.00 2.24 H new ATOM 0 HB2 SER A 40 21.933 7.178 4.834 1.00 31.30 H new ATOM 0 HB3 SER A 40 22.427 7.583 3.202 1.00 31.30 H new ATOM 0 HG SER A 40 24.227 6.992 4.543 1.00 44.04 H new ATOM 630 N HIS A 41 23.865 10.447 3.659 1.00 13.31 N ATOM 631 CA HIS A 41 24.670 11.474 2.989 1.00 75.25 C ATOM 632 C HIS A 41 24.537 11.460 1.463 1.00 41.11 C ATOM 633 O HIS A 41 24.602 12.513 0.835 1.00 41.13 O ATOM 634 CB HIS A 41 26.146 11.345 3.391 1.00 10.05 C ATOM 635 CG HIS A 41 26.701 9.953 3.285 1.00 74.22 C ATOM 636 ND1 HIS A 41 26.808 9.110 4.368 1.00 64.11 N ATOM 637 CD2 HIS A 41 27.179 9.260 2.223 1.00 31.41 C ATOM 638 CE1 HIS A 41 27.328 7.962 3.980 1.00 64.54 C ATOM 639 NE2 HIS A 41 27.561 8.029 2.685 1.00 43.23 N ATOM 0 H HIS A 41 24.407 9.847 4.281 1.00 13.31 H new ATOM 0 HA HIS A 41 24.276 12.433 3.325 1.00 75.25 H new ATOM 0 HB2 HIS A 41 26.740 12.008 2.762 1.00 10.05 H new ATOM 0 HB3 HIS A 41 26.261 11.691 4.418 1.00 10.05 H new ATOM 0 HD2 HIS A 41 27.246 9.612 1.204 1.00 31.41 H new ATOM 0 HE1 HIS A 41 27.529 7.112 4.615 1.00 64.54 H new ATOM 0 HE2 HIS A 41 27.962 7.283 2.117 1.00 43.23 H new ATOM 648 N ASP A 42 24.356 10.297 0.859 1.00 23.54 N ATOM 649 CA ASP A 42 24.233 10.230 -0.595 1.00 0.05 C ATOM 650 C ASP A 42 22.889 10.793 -1.034 1.00 12.44 C ATOM 651 O ASP A 42 22.796 11.533 -2.020 1.00 21.11 O ATOM 652 CB ASP A 42 24.391 8.794 -1.088 1.00 61.05 C ATOM 653 CG ASP A 42 24.275 8.679 -2.593 1.00 60.32 C ATOM 654 OD1 ASP A 42 25.258 9.000 -3.295 1.00 11.00 O ATOM 655 OD2 ASP A 42 23.203 8.260 -3.081 1.00 63.43 O ATOM 0 H ASP A 42 24.291 9.399 1.339 1.00 23.54 H new ATOM 0 HA ASP A 42 25.029 10.831 -1.035 1.00 0.05 H new ATOM 0 HB2 ASP A 42 25.361 8.410 -0.772 1.00 61.05 H new ATOM 0 HB3 ASP A 42 23.632 8.167 -0.620 1.00 61.05 H new ATOM 660 N GLU A 43 21.854 10.459 -0.281 1.00 14.52 N ATOM 661 CA GLU A 43 20.515 10.943 -0.564 1.00 51.01 C ATOM 662 C GLU A 43 20.434 12.458 -0.391 1.00 73.32 C ATOM 663 O GLU A 43 19.827 13.149 -1.209 1.00 20.03 O ATOM 664 CB GLU A 43 19.483 10.263 0.338 1.00 51.22 C ATOM 665 CG GLU A 43 19.413 8.748 0.186 1.00 54.12 C ATOM 666 CD GLU A 43 20.384 8.011 1.091 1.00 74.12 C ATOM 667 OE1 GLU A 43 21.587 7.936 0.759 1.00 43.22 O ATOM 668 OE2 GLU A 43 19.944 7.495 2.142 1.00 44.24 O ATOM 0 H GLU A 43 21.918 9.851 0.535 1.00 14.52 H new ATOM 0 HA GLU A 43 20.290 10.695 -1.601 1.00 51.01 H new ATOM 0 HB2 GLU A 43 19.713 10.501 1.376 1.00 51.22 H new ATOM 0 HB3 GLU A 43 18.500 10.683 0.125 1.00 51.22 H new ATOM 0 HG2 GLU A 43 18.399 8.414 0.404 1.00 54.12 H new ATOM 0 HG3 GLU A 43 19.620 8.483 -0.851 1.00 54.12 H new ATOM 675 N VAL A 44 21.054 12.977 0.668 1.00 12.04 N ATOM 676 CA VAL A 44 21.056 14.420 0.901 1.00 64.12 C ATOM 677 C VAL A 44 21.934 15.130 -0.130 1.00 44.32 C ATOM 678 O VAL A 44 21.644 16.255 -0.534 1.00 4.42 O ATOM 679 CB VAL A 44 21.497 14.796 2.337 1.00 64.34 C ATOM 680 CG1 VAL A 44 20.560 14.175 3.363 1.00 55.54 C ATOM 681 CG2 VAL A 44 22.933 14.384 2.612 1.00 41.02 C ATOM 0 H VAL A 44 21.554 12.430 1.368 1.00 12.04 H new ATOM 0 HA VAL A 44 20.025 14.757 0.788 1.00 64.12 H new ATOM 0 HB VAL A 44 21.444 15.881 2.422 1.00 64.34 H new ATOM 0 HG11 VAL A 44 20.885 14.450 4.366 1.00 55.54 H new ATOM 0 HG12 VAL A 44 19.546 14.540 3.198 1.00 55.54 H new ATOM 0 HG13 VAL A 44 20.576 13.090 3.261 1.00 55.54 H new ATOM 0 HG21 VAL A 44 23.204 14.665 3.630 1.00 41.02 H new ATOM 0 HG22 VAL A 44 23.030 13.305 2.496 1.00 41.02 H new ATOM 0 HG23 VAL A 44 23.597 14.886 1.908 1.00 41.02 H new ATOM 691 N LYS A 45 22.994 14.456 -0.568 1.00 40.31 N ATOM 692 CA LYS A 45 23.827 14.948 -1.662 1.00 12.13 C ATOM 693 C LYS A 45 22.994 15.074 -2.938 1.00 13.43 C ATOM 694 O LYS A 45 23.134 16.036 -3.697 1.00 15.20 O ATOM 695 CB LYS A 45 25.018 14.000 -1.879 1.00 61.33 C ATOM 696 CG LYS A 45 25.767 14.204 -3.188 1.00 2.02 C ATOM 697 CD LYS A 45 26.903 13.201 -3.322 1.00 33.13 C ATOM 698 CE LYS A 45 27.446 13.133 -4.743 1.00 75.13 C ATOM 699 NZ LYS A 45 27.998 14.433 -5.210 1.00 24.32 N ATOM 0 H LYS A 45 23.298 13.563 -0.180 1.00 40.31 H new ATOM 0 HA LYS A 45 24.213 15.935 -1.405 1.00 12.13 H new ATOM 0 HB2 LYS A 45 25.718 14.124 -1.053 1.00 61.33 H new ATOM 0 HB3 LYS A 45 24.658 12.972 -1.839 1.00 61.33 H new ATOM 0 HG2 LYS A 45 25.079 14.095 -4.027 1.00 2.02 H new ATOM 0 HG3 LYS A 45 26.164 15.218 -3.231 1.00 2.02 H new ATOM 0 HD2 LYS A 45 27.708 13.474 -2.640 1.00 33.13 H new ATOM 0 HD3 LYS A 45 26.551 12.214 -3.022 1.00 33.13 H new ATOM 0 HE2 LYS A 45 28.226 12.373 -4.794 1.00 75.13 H new ATOM 0 HE3 LYS A 45 26.649 12.818 -5.417 1.00 75.13 H new ATOM 0 HZ1 LYS A 45 28.384 14.322 -6.169 1.00 24.32 H new ATOM 0 HZ2 LYS A 45 27.242 15.147 -5.222 1.00 24.32 H new ATOM 0 HZ3 LYS A 45 28.754 14.740 -4.566 1.00 24.32 H new ATOM 713 N ALA A 46 22.120 14.100 -3.158 1.00 24.01 N ATOM 714 CA ALA A 46 21.232 14.112 -4.313 1.00 74.23 C ATOM 715 C ALA A 46 20.199 15.236 -4.221 1.00 34.34 C ATOM 716 O ALA A 46 20.064 16.038 -5.146 1.00 23.14 O ATOM 717 CB ALA A 46 20.533 12.769 -4.452 1.00 34.25 C ATOM 0 H ALA A 46 22.007 13.289 -2.549 1.00 24.01 H new ATOM 0 HA ALA A 46 21.843 14.294 -5.197 1.00 74.23 H new ATOM 0 HB1 ALA A 46 19.872 12.791 -5.319 1.00 34.25 H new ATOM 0 HB2 ALA A 46 21.277 11.983 -4.583 1.00 34.25 H new ATOM 0 HB3 ALA A 46 19.948 12.569 -3.555 1.00 34.25 H new ATOM 723 N VAL A 47 19.483 15.303 -3.098 1.00 63.11 N ATOM 724 CA VAL A 47 18.395 16.269 -2.938 1.00 5.15 C ATOM 725 C VAL A 47 18.916 17.707 -2.903 1.00 71.40 C ATOM 726 O VAL A 47 18.255 18.618 -3.398 1.00 3.44 O ATOM 727 CB VAL A 47 17.537 15.972 -1.678 1.00 52.11 C ATOM 728 CG1 VAL A 47 18.334 16.171 -0.399 1.00 2.14 C ATOM 729 CG2 VAL A 47 16.278 16.825 -1.670 1.00 1.32 C ATOM 0 H VAL A 47 19.636 14.702 -2.288 1.00 63.11 H new ATOM 0 HA VAL A 47 17.754 16.162 -3.813 1.00 5.15 H new ATOM 0 HB VAL A 47 17.242 14.924 -1.720 1.00 52.11 H new ATOM 0 HG11 VAL A 47 17.701 15.954 0.462 1.00 2.14 H new ATOM 0 HG12 VAL A 47 19.192 15.499 -0.397 1.00 2.14 H new ATOM 0 HG13 VAL A 47 18.681 17.203 -0.343 1.00 2.14 H new ATOM 0 HG21 VAL A 47 15.692 16.601 -0.779 1.00 1.32 H new ATOM 0 HG22 VAL A 47 16.553 17.880 -1.667 1.00 1.32 H new ATOM 0 HG23 VAL A 47 15.685 16.607 -2.558 1.00 1.32 H new ATOM 739 N ALA A 48 20.103 17.910 -2.340 1.00 53.54 N ATOM 740 CA ALA A 48 20.701 19.239 -2.304 1.00 3.21 C ATOM 741 C ALA A 48 21.021 19.714 -3.716 1.00 22.54 C ATOM 742 O ALA A 48 20.714 20.847 -4.087 1.00 13.30 O ATOM 743 CB ALA A 48 21.956 19.245 -1.443 1.00 15.11 C ATOM 0 H ALA A 48 20.665 17.178 -1.906 1.00 53.54 H new ATOM 0 HA ALA A 48 19.981 19.926 -1.859 1.00 3.21 H new ATOM 0 HB1 ALA A 48 22.384 20.247 -1.431 1.00 15.11 H new ATOM 0 HB2 ALA A 48 21.701 18.948 -0.426 1.00 15.11 H new ATOM 0 HB3 ALA A 48 22.683 18.544 -1.854 1.00 15.11 H new ATOM 749 N ASN A 49 21.621 18.829 -4.503 1.00 73.23 N ATOM 750 CA ASN A 49 21.952 19.130 -5.892 1.00 11.34 C ATOM 751 C ASN A 49 20.679 19.387 -6.698 1.00 21.14 C ATOM 752 O ASN A 49 20.602 20.337 -7.478 1.00 34.35 O ATOM 753 CB ASN A 49 22.751 17.972 -6.500 1.00 24.22 C ATOM 754 CG ASN A 49 23.149 18.224 -7.940 1.00 72.24 C ATOM 755 OD1 ASN A 49 22.420 17.874 -8.868 1.00 13.43 O ATOM 756 ND2 ASN A 49 24.321 18.811 -8.141 1.00 34.41 N ATOM 0 H ASN A 49 21.890 17.892 -4.202 1.00 73.23 H new ATOM 0 HA ASN A 49 22.564 20.032 -5.924 1.00 11.34 H new ATOM 0 HB2 ASN A 49 23.648 17.804 -5.904 1.00 24.22 H new ATOM 0 HB3 ASN A 49 22.157 17.060 -6.447 1.00 24.22 H new ATOM 0 HD21 ASN A 49 24.647 18.987 -9.091 1.00 34.41 H new ATOM 0 HD22 ASN A 49 24.897 19.086 -7.345 1.00 34.41 H new ATOM 763 N GLU A 50 19.682 18.534 -6.482 1.00 63.12 N ATOM 764 CA GLU A 50 18.369 18.681 -7.105 1.00 22.12 C ATOM 765 C GLU A 50 17.764 20.046 -6.776 1.00 22.40 C ATOM 766 O GLU A 50 17.292 20.763 -7.658 1.00 61.11 O ATOM 767 CB GLU A 50 17.442 17.566 -6.610 1.00 3.54 C ATOM 768 CG GLU A 50 15.976 17.774 -6.956 1.00 54.34 C ATOM 769 CD GLU A 50 15.657 17.506 -8.413 1.00 12.15 C ATOM 770 OE1 GLU A 50 15.910 18.388 -9.258 1.00 72.03 O ATOM 771 OE2 GLU A 50 15.133 16.413 -8.719 1.00 13.25 O ATOM 0 H GLU A 50 19.761 17.721 -5.870 1.00 63.12 H new ATOM 0 HA GLU A 50 18.483 18.609 -8.187 1.00 22.12 H new ATOM 0 HB2 GLU A 50 17.773 16.618 -7.035 1.00 3.54 H new ATOM 0 HB3 GLU A 50 17.540 17.481 -5.528 1.00 3.54 H new ATOM 0 HG2 GLU A 50 15.367 17.120 -6.332 1.00 54.34 H new ATOM 0 HG3 GLU A 50 15.695 18.799 -6.713 1.00 54.34 H new ATOM 778 N LEU A 51 17.788 20.398 -5.501 1.00 72.23 N ATOM 779 CA LEU A 51 17.210 21.649 -5.037 1.00 55.41 C ATOM 780 C LEU A 51 17.957 22.837 -5.648 1.00 24.41 C ATOM 781 O LEU A 51 17.344 23.828 -6.046 1.00 62.31 O ATOM 782 CB LEU A 51 17.256 21.685 -3.504 1.00 14.10 C ATOM 783 CG LEU A 51 16.144 22.483 -2.803 1.00 34.30 C ATOM 784 CD1 LEU A 51 16.209 23.962 -3.146 1.00 63.41 C ATOM 785 CD2 LEU A 51 14.780 21.917 -3.160 1.00 30.24 C ATOM 0 H LEU A 51 18.205 19.830 -4.764 1.00 72.23 H new ATOM 0 HA LEU A 51 16.170 21.718 -5.356 1.00 55.41 H new ATOM 0 HB2 LEU A 51 17.223 20.659 -3.137 1.00 14.10 H new ATOM 0 HB3 LEU A 51 18.217 22.101 -3.201 1.00 14.10 H new ATOM 0 HG LEU A 51 16.299 22.387 -1.728 1.00 34.30 H new ATOM 0 HD11 LEU A 51 15.407 24.491 -2.631 1.00 63.41 H new ATOM 0 HD12 LEU A 51 17.171 24.367 -2.831 1.00 63.41 H new ATOM 0 HD13 LEU A 51 16.096 24.091 -4.222 1.00 63.41 H new ATOM 0 HD21 LEU A 51 14.004 22.493 -2.656 1.00 30.24 H new ATOM 0 HD22 LEU A 51 14.633 21.976 -4.238 1.00 30.24 H new ATOM 0 HD23 LEU A 51 14.724 20.876 -2.842 1.00 30.24 H new ATOM 797 N MET A 52 19.280 22.724 -5.747 1.00 34.31 N ATOM 798 CA MET A 52 20.094 23.779 -6.350 1.00 22.22 C ATOM 799 C MET A 52 19.738 23.978 -7.821 1.00 41.23 C ATOM 800 O MET A 52 19.828 25.093 -8.336 1.00 64.42 O ATOM 801 CB MET A 52 21.588 23.480 -6.213 1.00 43.15 C ATOM 802 CG MET A 52 22.134 23.732 -4.818 1.00 23.10 C ATOM 803 SD MET A 52 23.925 23.558 -4.736 1.00 2.50 S ATOM 804 CE MET A 52 24.234 24.107 -3.061 1.00 45.22 C ATOM 0 H MET A 52 19.810 21.916 -5.419 1.00 34.31 H new ATOM 0 HA MET A 52 19.875 24.700 -5.809 1.00 22.22 H new ATOM 0 HB2 MET A 52 21.768 22.439 -6.482 1.00 43.15 H new ATOM 0 HB3 MET A 52 22.139 24.093 -6.926 1.00 43.15 H new ATOM 0 HG2 MET A 52 21.855 24.736 -4.498 1.00 23.10 H new ATOM 0 HG3 MET A 52 21.672 23.035 -4.119 1.00 23.10 H new ATOM 0 HE1 MET A 52 25.247 23.830 -2.768 1.00 45.22 H new ATOM 0 HE2 MET A 52 24.124 25.190 -3.007 1.00 45.22 H new ATOM 0 HE3 MET A 52 23.519 23.636 -2.386 1.00 45.22 H new ATOM 814 N ARG A 53 19.324 22.900 -8.484 1.00 0.12 N ATOM 815 CA ARG A 53 18.900 22.963 -9.885 1.00 31.34 C ATOM 816 C ARG A 53 17.743 23.940 -10.073 1.00 53.14 C ATOM 817 O ARG A 53 17.559 24.501 -11.152 1.00 11.32 O ATOM 818 CB ARG A 53 18.465 21.583 -10.384 1.00 43.45 C ATOM 819 CG ARG A 53 19.605 20.602 -10.592 1.00 71.50 C ATOM 820 CD ARG A 53 20.555 21.082 -11.674 1.00 51.30 C ATOM 821 NE ARG A 53 21.297 19.980 -12.279 1.00 54.25 N ATOM 822 CZ ARG A 53 21.952 20.075 -13.434 1.00 53.43 C ATOM 823 NH1 ARG A 53 22.046 21.249 -14.052 1.00 52.52 N ATOM 824 NH2 ARG A 53 22.527 19.001 -13.957 1.00 40.44 N ATOM 0 H ARG A 53 19.272 21.968 -8.073 1.00 0.12 H new ATOM 0 HA ARG A 53 19.757 23.309 -10.462 1.00 31.34 H new ATOM 0 HB2 ARG A 53 17.761 21.157 -9.669 1.00 43.45 H new ATOM 0 HB3 ARG A 53 17.929 21.703 -11.326 1.00 43.45 H new ATOM 0 HG2 ARG A 53 20.151 20.472 -9.657 1.00 71.50 H new ATOM 0 HG3 ARG A 53 19.203 19.626 -10.865 1.00 71.50 H new ATOM 0 HD2 ARG A 53 19.991 21.606 -12.446 1.00 51.30 H new ATOM 0 HD3 ARG A 53 21.256 21.800 -11.249 1.00 51.30 H new ATOM 0 HE ARG A 53 21.315 19.086 -11.789 1.00 54.25 H new ATOM 0 HH11 ARG A 53 21.616 22.078 -13.641 1.00 52.52 H new ATOM 0 HH12 ARG A 53 22.548 21.321 -14.937 1.00 52.52 H new ATOM 0 HH21 ARG A 53 22.467 18.104 -13.475 1.00 40.44 H new ATOM 0 HH22 ARG A 53 23.029 19.071 -14.842 1.00 40.44 H new ATOM 838 N LEU A 54 16.960 24.134 -9.018 1.00 71.25 N ATOM 839 CA LEU A 54 15.806 25.025 -9.074 1.00 62.34 C ATOM 840 C LEU A 54 16.254 26.486 -9.058 1.00 22.45 C ATOM 841 O LEU A 54 15.514 27.381 -9.467 1.00 5.15 O ATOM 842 CB LEU A 54 14.868 24.746 -7.894 1.00 64.53 C ATOM 843 CG LEU A 54 13.549 25.522 -7.908 1.00 41.12 C ATOM 844 CD1 LEU A 54 12.687 25.100 -9.090 1.00 41.11 C ATOM 845 CD2 LEU A 54 12.802 25.320 -6.598 1.00 13.34 C ATOM 0 H LEU A 54 17.103 23.686 -8.113 1.00 71.25 H new ATOM 0 HA LEU A 54 15.269 24.839 -10.004 1.00 62.34 H new ATOM 0 HB2 LEU A 54 14.643 23.680 -7.875 1.00 64.53 H new ATOM 0 HB3 LEU A 54 15.396 24.977 -6.969 1.00 64.53 H new ATOM 0 HG LEU A 54 13.775 26.583 -8.017 1.00 41.12 H new ATOM 0 HD11 LEU A 54 11.754 25.664 -9.080 1.00 41.11 H new ATOM 0 HD12 LEU A 54 13.221 25.298 -10.019 1.00 41.11 H new ATOM 0 HD13 LEU A 54 12.467 24.035 -9.018 1.00 41.11 H new ATOM 0 HD21 LEU A 54 11.866 25.878 -6.623 1.00 13.34 H new ATOM 0 HD22 LEU A 54 12.589 24.260 -6.460 1.00 13.34 H new ATOM 0 HD23 LEU A 54 13.415 25.677 -5.771 1.00 13.34 H new ATOM 857 N GLY A 55 17.471 26.718 -8.584 1.00 41.21 N ATOM 858 CA GLY A 55 18.000 28.066 -8.512 1.00 63.30 C ATOM 859 C GLY A 55 17.756 28.711 -7.165 1.00 62.12 C ATOM 860 O GLY A 55 18.465 29.637 -6.770 1.00 34.14 O ATOM 0 H GLY A 55 18.104 25.993 -8.247 1.00 41.21 H new ATOM 0 HA2 GLY A 55 19.071 28.044 -8.712 1.00 63.30 H new ATOM 0 HA3 GLY A 55 17.542 28.675 -9.292 1.00 63.30 H new ATOM 864 N ASP A 56 16.765 28.208 -6.442 1.00 0.02 N ATOM 865 CA ASP A 56 16.385 28.782 -5.152 1.00 15.42 C ATOM 866 C ASP A 56 17.203 28.178 -4.014 1.00 64.31 C ATOM 867 O ASP A 56 16.675 27.833 -2.957 1.00 71.51 O ATOM 868 CB ASP A 56 14.890 28.587 -4.899 1.00 73.02 C ATOM 869 CG ASP A 56 14.036 29.416 -5.839 1.00 5.42 C ATOM 870 OD1 ASP A 56 14.114 30.665 -5.781 1.00 0.31 O ATOM 871 OD2 ASP A 56 13.296 28.829 -6.653 1.00 72.25 O ATOM 0 H ASP A 56 16.207 27.402 -6.725 1.00 0.02 H new ATOM 0 HA ASP A 56 16.597 29.851 -5.186 1.00 15.42 H new ATOM 0 HB2 ASP A 56 14.638 27.533 -5.016 1.00 73.02 H new ATOM 0 HB3 ASP A 56 14.660 28.857 -3.868 1.00 73.02 H new ATOM 876 N PHE A 57 18.501 28.076 -4.238 1.00 41.20 N ATOM 877 CA PHE A 57 19.429 27.588 -3.233 1.00 0.01 C ATOM 878 C PHE A 57 20.741 28.346 -3.396 1.00 54.22 C ATOM 879 O PHE A 57 21.269 28.433 -4.511 1.00 53.24 O ATOM 880 CB PHE A 57 19.656 26.078 -3.405 1.00 1.34 C ATOM 881 CG PHE A 57 20.106 25.362 -2.155 1.00 74.43 C ATOM 882 CD1 PHE A 57 21.066 25.908 -1.319 1.00 34.42 C ATOM 883 CD2 PHE A 57 19.567 24.130 -1.825 1.00 53.03 C ATOM 884 CE1 PHE A 57 21.478 25.243 -0.180 1.00 53.11 C ATOM 885 CE2 PHE A 57 19.973 23.459 -0.687 1.00 74.50 C ATOM 886 CZ PHE A 57 20.929 24.017 0.135 1.00 15.54 C ATOM 0 H PHE A 57 18.942 28.329 -5.122 1.00 41.20 H new ATOM 0 HA PHE A 57 19.024 27.752 -2.234 1.00 0.01 H new ATOM 0 HB2 PHE A 57 18.730 25.623 -3.755 1.00 1.34 H new ATOM 0 HB3 PHE A 57 20.402 25.923 -4.185 1.00 1.34 H new ATOM 0 HD1 PHE A 57 21.499 26.867 -1.561 1.00 34.42 H new ATOM 0 HD2 PHE A 57 18.819 23.687 -2.466 1.00 53.03 H new ATOM 0 HE1 PHE A 57 22.228 25.682 0.462 1.00 53.11 H new ATOM 0 HE2 PHE A 57 19.542 22.499 -0.442 1.00 74.50 H new ATOM 0 HZ PHE A 57 21.248 23.495 1.025 1.00 15.54 H new ATOM 896 N ASP A 58 21.242 28.918 -2.311 1.00 55.52 N ATOM 897 CA ASP A 58 22.467 29.709 -2.368 1.00 42.31 C ATOM 898 C ASP A 58 23.655 28.825 -2.725 1.00 31.30 C ATOM 899 O ASP A 58 23.785 27.710 -2.217 1.00 23.35 O ATOM 900 CB ASP A 58 22.716 30.419 -1.039 1.00 72.43 C ATOM 901 CG ASP A 58 23.729 31.537 -1.168 1.00 71.31 C ATOM 902 OD1 ASP A 58 23.370 32.606 -1.704 1.00 11.45 O ATOM 903 OD2 ASP A 58 24.883 31.362 -0.734 1.00 3.53 O ATOM 0 H ASP A 58 20.823 28.851 -1.383 1.00 55.52 H new ATOM 0 HA ASP A 58 22.348 30.465 -3.144 1.00 42.31 H new ATOM 0 HB2 ASP A 58 21.776 30.824 -0.664 1.00 72.43 H new ATOM 0 HB3 ASP A 58 23.067 29.696 -0.303 1.00 72.43 H new ATOM 908 N GLN A 59 24.503 29.321 -3.616 1.00 65.13 N ATOM 909 CA GLN A 59 25.638 28.552 -4.107 1.00 61.52 C ATOM 910 C GLN A 59 26.708 28.390 -3.036 1.00 42.02 C ATOM 911 O GLN A 59 27.571 29.250 -2.860 1.00 22.20 O ATOM 912 CB GLN A 59 26.235 29.208 -5.351 1.00 52.04 C ATOM 913 CG GLN A 59 25.268 29.259 -6.520 1.00 33.10 C ATOM 914 CD GLN A 59 25.892 29.839 -7.770 1.00 42.12 C ATOM 915 OE1 GLN A 59 26.777 30.692 -7.702 1.00 43.20 O ATOM 916 NE2 GLN A 59 25.440 29.374 -8.922 1.00 63.24 N ATOM 0 H GLN A 59 24.425 30.257 -4.015 1.00 65.13 H new ATOM 0 HA GLN A 59 25.272 27.560 -4.371 1.00 61.52 H new ATOM 0 HB2 GLN A 59 26.551 30.222 -5.104 1.00 52.04 H new ATOM 0 HB3 GLN A 59 27.129 28.660 -5.650 1.00 52.04 H new ATOM 0 HG2 GLN A 59 24.908 28.252 -6.732 1.00 33.10 H new ATOM 0 HG3 GLN A 59 24.400 29.856 -6.242 1.00 33.10 H new ATOM 0 HE21 GLN A 59 24.705 28.667 -8.933 1.00 63.24 H new ATOM 0 HE22 GLN A 59 25.826 29.722 -9.799 1.00 63.24 H new ATOM 925 N ILE A 60 26.624 27.288 -2.314 1.00 73.33 N ATOM 926 CA ILE A 60 27.596 26.945 -1.290 1.00 52.00 C ATOM 927 C ILE A 60 28.058 25.509 -1.485 1.00 62.32 C ATOM 928 O ILE A 60 27.396 24.732 -2.177 1.00 61.30 O ATOM 929 CB ILE A 60 27.001 27.100 0.123 1.00 22.03 C ATOM 930 CG1 ILE A 60 25.692 26.314 0.231 1.00 74.12 C ATOM 931 CG2 ILE A 60 26.782 28.571 0.450 1.00 12.40 C ATOM 932 CD1 ILE A 60 25.009 26.448 1.571 1.00 34.21 C ATOM 0 H ILE A 60 25.877 26.602 -2.421 1.00 73.33 H new ATOM 0 HA ILE A 60 28.440 27.628 -1.384 1.00 52.00 H new ATOM 0 HB ILE A 60 27.706 26.695 0.849 1.00 22.03 H new ATOM 0 HG12 ILE A 60 25.010 26.653 -0.549 1.00 74.12 H new ATOM 0 HG13 ILE A 60 25.895 25.260 0.041 1.00 74.12 H new ATOM 0 HG21 ILE A 60 26.361 28.662 1.451 1.00 12.40 H new ATOM 0 HG22 ILE A 60 27.735 29.099 0.407 1.00 12.40 H new ATOM 0 HG23 ILE A 60 26.093 29.006 -0.274 1.00 12.40 H new ATOM 0 HD11 ILE A 60 24.089 25.863 1.571 1.00 34.21 H new ATOM 0 HD12 ILE A 60 25.671 26.082 2.355 1.00 34.21 H new ATOM 0 HD13 ILE A 60 24.773 27.496 1.756 1.00 34.21 H new ATOM 944 N ASP A 61 29.179 25.148 -0.884 1.00 74.15 N ATOM 945 CA ASP A 61 29.707 23.801 -1.047 1.00 11.11 C ATOM 946 C ASP A 61 29.015 22.842 -0.092 1.00 32.54 C ATOM 947 O ASP A 61 29.408 22.709 1.068 1.00 44.33 O ATOM 948 CB ASP A 61 31.216 23.756 -0.817 1.00 43.43 C ATOM 949 CG ASP A 61 31.850 22.537 -1.455 1.00 44.22 C ATOM 950 OD1 ASP A 61 31.439 21.403 -1.135 1.00 63.43 O ATOM 951 OD2 ASP A 61 32.764 22.713 -2.292 1.00 51.15 O ATOM 0 H ASP A 61 29.736 25.758 -0.286 1.00 74.15 H new ATOM 0 HA ASP A 61 29.511 23.496 -2.075 1.00 11.11 H new ATOM 0 HB2 ASP A 61 31.672 24.658 -1.225 1.00 43.43 H new ATOM 0 HB3 ASP A 61 31.420 23.752 0.254 1.00 43.43 H new ATOM 956 N ILE A 62 27.960 22.207 -0.574 1.00 1.14 N ATOM 957 CA ILE A 62 27.244 21.210 0.205 1.00 44.54 C ATOM 958 C ILE A 62 28.027 19.903 0.236 1.00 35.03 C ATOM 959 O ILE A 62 28.022 19.191 1.242 1.00 21.22 O ATOM 960 CB ILE A 62 25.827 20.963 -0.370 1.00 53.15 C ATOM 961 CG1 ILE A 62 24.953 22.208 -0.182 1.00 34.35 C ATOM 962 CG2 ILE A 62 25.169 19.751 0.275 1.00 21.32 C ATOM 963 CD1 ILE A 62 24.761 22.607 1.267 1.00 32.22 C ATOM 0 H ILE A 62 27.578 22.365 -1.507 1.00 1.14 H new ATOM 0 HA ILE A 62 27.139 21.590 1.221 1.00 44.54 H new ATOM 0 HB ILE A 62 25.929 20.759 -1.436 1.00 53.15 H new ATOM 0 HG12 ILE A 62 25.403 23.041 -0.722 1.00 34.35 H new ATOM 0 HG13 ILE A 62 23.977 22.027 -0.632 1.00 34.35 H new ATOM 0 HG21 ILE A 62 24.176 19.606 -0.151 1.00 21.32 H new ATOM 0 HG22 ILE A 62 25.776 18.865 0.089 1.00 21.32 H new ATOM 0 HG23 ILE A 62 25.082 19.913 1.349 1.00 21.32 H new ATOM 0 HD11 ILE A 62 24.132 23.496 1.319 1.00 32.22 H new ATOM 0 HD12 ILE A 62 24.282 21.791 1.809 1.00 32.22 H new ATOM 0 HD13 ILE A 62 25.730 22.822 1.717 1.00 32.22 H new ATOM 975 N GLY A 63 28.725 19.624 -0.863 1.00 31.43 N ATOM 976 CA GLY A 63 29.477 18.389 -0.990 1.00 52.11 C ATOM 977 C GLY A 63 30.438 18.170 0.159 1.00 31.22 C ATOM 978 O GLY A 63 30.490 17.081 0.725 1.00 14.54 O ATOM 0 H GLY A 63 28.782 20.239 -1.675 1.00 31.43 H new ATOM 0 HA2 GLY A 63 28.783 17.550 -1.043 1.00 52.11 H new ATOM 0 HA3 GLY A 63 30.034 18.402 -1.927 1.00 52.11 H new ATOM 982 N VAL A 64 31.192 19.204 0.510 1.00 13.42 N ATOM 983 CA VAL A 64 32.124 19.130 1.628 1.00 34.32 C ATOM 984 C VAL A 64 31.397 18.866 2.946 1.00 53.31 C ATOM 985 O VAL A 64 31.779 17.972 3.700 1.00 3.43 O ATOM 986 CB VAL A 64 32.965 20.425 1.749 1.00 54.13 C ATOM 987 CG1 VAL A 64 33.682 20.493 3.090 1.00 30.14 C ATOM 988 CG2 VAL A 64 33.978 20.507 0.620 1.00 21.11 C ATOM 0 H VAL A 64 31.176 20.106 0.035 1.00 13.42 H new ATOM 0 HA VAL A 64 32.794 18.294 1.425 1.00 34.32 H new ATOM 0 HB VAL A 64 32.282 21.272 1.681 1.00 54.13 H new ATOM 0 HG11 VAL A 64 34.264 21.413 3.145 1.00 30.14 H new ATOM 0 HG12 VAL A 64 32.948 20.479 3.896 1.00 30.14 H new ATOM 0 HG13 VAL A 64 34.348 19.636 3.190 1.00 30.14 H new ATOM 0 HG21 VAL A 64 34.561 21.423 0.720 1.00 21.11 H new ATOM 0 HG22 VAL A 64 34.645 19.646 0.666 1.00 21.11 H new ATOM 0 HG23 VAL A 64 33.457 20.511 -0.337 1.00 21.11 H new ATOM 998 N VAL A 65 30.332 19.618 3.200 1.00 25.53 N ATOM 999 CA VAL A 65 29.649 19.574 4.491 1.00 41.35 C ATOM 1000 C VAL A 65 28.978 18.222 4.750 1.00 15.00 C ATOM 1001 O VAL A 65 29.126 17.648 5.828 1.00 61.02 O ATOM 1002 CB VAL A 65 28.593 20.697 4.614 1.00 41.42 C ATOM 1003 CG1 VAL A 65 27.918 20.665 5.978 1.00 52.00 C ATOM 1004 CG2 VAL A 65 29.217 22.061 4.379 1.00 63.33 C ATOM 0 H VAL A 65 29.921 20.267 2.529 1.00 25.53 H new ATOM 0 HA VAL A 65 30.423 19.724 5.243 1.00 41.35 H new ATOM 0 HB VAL A 65 27.839 20.522 3.847 1.00 41.42 H new ATOM 0 HG11 VAL A 65 27.180 21.465 6.038 1.00 52.00 H new ATOM 0 HG12 VAL A 65 27.423 19.704 6.117 1.00 52.00 H new ATOM 0 HG13 VAL A 65 28.667 20.803 6.758 1.00 52.00 H new ATOM 0 HG21 VAL A 65 28.452 22.832 4.471 1.00 63.33 H new ATOM 0 HG22 VAL A 65 29.999 22.235 5.118 1.00 63.33 H new ATOM 0 HG23 VAL A 65 29.648 22.096 3.379 1.00 63.33 H new ATOM 1014 N ILE A 66 28.260 17.699 3.761 1.00 60.32 N ATOM 1015 CA ILE A 66 27.462 16.491 3.969 1.00 21.23 C ATOM 1016 C ILE A 66 28.312 15.222 3.940 1.00 32.33 C ATOM 1017 O ILE A 66 27.832 14.138 4.266 1.00 44.40 O ATOM 1018 CB ILE A 66 26.299 16.387 2.953 1.00 4.44 C ATOM 1019 CG1 ILE A 66 26.800 16.343 1.505 1.00 1.10 C ATOM 1020 CG2 ILE A 66 25.349 17.553 3.143 1.00 30.33 C ATOM 1021 CD1 ILE A 66 27.039 14.945 0.980 1.00 22.24 C ATOM 0 H ILE A 66 28.213 18.085 2.818 1.00 60.32 H new ATOM 0 HA ILE A 66 27.034 16.579 4.968 1.00 21.23 H new ATOM 0 HB ILE A 66 25.775 15.450 3.142 1.00 4.44 H new ATOM 0 HG12 ILE A 66 26.073 16.841 0.864 1.00 1.10 H new ATOM 0 HG13 ILE A 66 27.728 16.910 1.435 1.00 1.10 H new ATOM 0 HG21 ILE A 66 24.531 17.477 2.426 1.00 30.33 H new ATOM 0 HG22 ILE A 66 24.947 17.533 4.156 1.00 30.33 H new ATOM 0 HG23 ILE A 66 25.885 18.489 2.984 1.00 30.33 H new ATOM 0 HD11 ILE A 66 27.392 14.998 -0.050 1.00 22.24 H new ATOM 0 HD12 ILE A 66 27.789 14.449 1.595 1.00 22.24 H new ATOM 0 HD13 ILE A 66 26.108 14.379 1.016 1.00 22.24 H new ATOM 1033 N THR A 67 29.570 15.354 3.549 1.00 14.14 N ATOM 1034 CA THR A 67 30.489 14.227 3.580 1.00 50.13 C ATOM 1035 C THR A 67 31.466 14.372 4.743 1.00 71.42 C ATOM 1036 O THR A 67 32.068 13.395 5.201 1.00 32.31 O ATOM 1037 CB THR A 67 31.277 14.107 2.262 1.00 41.24 C ATOM 1038 OG1 THR A 67 31.946 15.343 1.975 1.00 22.32 O ATOM 1039 CG2 THR A 67 30.355 13.735 1.106 1.00 74.34 C ATOM 0 H THR A 67 29.976 16.225 3.208 1.00 14.14 H new ATOM 0 HA THR A 67 29.895 13.323 3.711 1.00 50.13 H new ATOM 0 HB THR A 67 32.017 13.315 2.379 1.00 41.24 H new ATOM 0 HG1 THR A 67 31.417 15.859 1.331 1.00 22.32 H new ATOM 0 HG21 THR A 67 30.937 13.657 0.187 1.00 74.34 H new ATOM 0 HG22 THR A 67 29.877 12.778 1.315 1.00 74.34 H new ATOM 0 HG23 THR A 67 29.592 14.504 0.988 1.00 74.34 H new ATOM 1047 N HIS A 68 31.605 15.602 5.227 1.00 62.10 N ATOM 1048 CA HIS A 68 32.551 15.918 6.289 1.00 75.44 C ATOM 1049 C HIS A 68 31.914 16.888 7.275 1.00 63.13 C ATOM 1050 O HIS A 68 32.002 18.104 7.112 1.00 34.35 O ATOM 1051 CB HIS A 68 33.839 16.528 5.718 1.00 73.14 C ATOM 1052 CG HIS A 68 34.605 15.608 4.818 1.00 52.01 C ATOM 1053 ND1 HIS A 68 34.286 15.414 3.491 1.00 65.54 N ATOM 1054 CD2 HIS A 68 35.685 14.829 5.058 1.00 52.12 C ATOM 1055 CE1 HIS A 68 35.134 14.559 2.956 1.00 12.54 C ATOM 1056 NE2 HIS A 68 35.995 14.186 3.884 1.00 54.52 N ATOM 0 H HIS A 68 31.068 16.403 4.896 1.00 62.10 H new ATOM 0 HA HIS A 68 32.810 14.992 6.803 1.00 75.44 H new ATOM 0 HB2 HIS A 68 33.586 17.432 5.165 1.00 73.14 H new ATOM 0 HB3 HIS A 68 34.483 16.830 6.544 1.00 73.14 H new ATOM 0 HD1 HIS A 68 33.513 15.863 2.999 1.00 65.54 H new ATOM 0 HD2 HIS A 68 36.207 14.731 5.998 1.00 52.12 H new ATOM 0 HE1 HIS A 68 35.126 14.220 1.930 1.00 12.54 H new ATOM 1065 N PHE A 69 31.250 16.338 8.276 1.00 30.31 N ATOM 1066 CA PHE A 69 30.559 17.142 9.276 1.00 22.22 C ATOM 1067 C PHE A 69 31.550 17.850 10.191 1.00 3.34 C ATOM 1068 O PHE A 69 32.619 17.315 10.498 1.00 14.12 O ATOM 1069 CB PHE A 69 29.625 16.263 10.112 1.00 5.11 C ATOM 1070 CG PHE A 69 28.504 15.649 9.324 1.00 12.44 C ATOM 1071 CD1 PHE A 69 28.669 14.431 8.680 1.00 70.53 C ATOM 1072 CD2 PHE A 69 27.281 16.292 9.228 1.00 75.14 C ATOM 1073 CE1 PHE A 69 27.634 13.869 7.956 1.00 1.20 C ATOM 1074 CE2 PHE A 69 26.244 15.735 8.507 1.00 11.41 C ATOM 1075 CZ PHE A 69 26.420 14.521 7.869 1.00 61.22 C ATOM 0 H PHE A 69 31.173 15.331 8.421 1.00 30.31 H new ATOM 0 HA PHE A 69 29.972 17.896 8.751 1.00 22.22 H new ATOM 0 HB2 PHE A 69 30.208 15.468 10.576 1.00 5.11 H new ATOM 0 HB3 PHE A 69 29.204 16.862 10.919 1.00 5.11 H new ATOM 0 HD1 PHE A 69 29.616 13.916 8.745 1.00 70.53 H new ATOM 0 HD2 PHE A 69 27.137 17.241 9.723 1.00 75.14 H new ATOM 0 HE1 PHE A 69 27.775 12.921 7.459 1.00 1.20 H new ATOM 0 HE2 PHE A 69 25.296 16.247 8.441 1.00 11.41 H new ATOM 0 HZ PHE A 69 25.610 14.084 7.304 1.00 61.22 H new ATOM 1085 N THR A 70 31.193 19.052 10.615 1.00 73.34 N ATOM 1086 CA THR A 70 32.001 19.798 11.562 1.00 1.43 C ATOM 1087 C THR A 70 31.554 19.501 12.992 1.00 12.24 C ATOM 1088 O THR A 70 30.691 18.649 13.215 1.00 70.15 O ATOM 1089 CB THR A 70 31.921 21.314 11.290 1.00 44.13 C ATOM 1090 OG1 THR A 70 30.563 21.704 11.041 1.00 53.25 O ATOM 1091 CG2 THR A 70 32.790 21.700 10.104 1.00 54.12 C ATOM 0 H THR A 70 30.344 19.532 10.316 1.00 73.34 H new ATOM 0 HA THR A 70 33.037 19.482 11.439 1.00 1.43 H new ATOM 0 HB THR A 70 32.289 21.834 12.175 1.00 44.13 H new ATOM 0 HG1 THR A 70 29.956 21.084 11.497 1.00 53.25 H new ATOM 0 HG21 THR A 70 32.716 22.774 9.933 1.00 54.12 H new ATOM 0 HG22 THR A 70 33.827 21.436 10.312 1.00 54.12 H new ATOM 0 HG23 THR A 70 32.451 21.167 9.216 1.00 54.12 H new ATOM 1099 N ASP A 71 32.141 20.193 13.955 1.00 4.40 N ATOM 1100 CA ASP A 71 31.829 19.961 15.360 1.00 51.42 C ATOM 1101 C ASP A 71 30.640 20.801 15.799 1.00 70.43 C ATOM 1102 O ASP A 71 29.631 20.277 16.276 1.00 25.34 O ATOM 1103 CB ASP A 71 33.036 20.288 16.241 1.00 3.12 C ATOM 1104 CG ASP A 71 34.225 19.389 15.971 1.00 32.33 C ATOM 1105 OD1 ASP A 71 35.025 19.708 15.070 1.00 43.24 O ATOM 1106 OD2 ASP A 71 34.368 18.360 16.663 1.00 55.22 O ATOM 0 H ASP A 71 32.837 20.921 13.792 1.00 4.40 H new ATOM 0 HA ASP A 71 31.577 18.907 15.473 1.00 51.42 H new ATOM 0 HB2 ASP A 71 33.327 21.326 16.078 1.00 3.12 H new ATOM 0 HB3 ASP A 71 32.749 20.198 17.289 1.00 3.12 H new ATOM 1111 N GLU A 72 30.759 22.110 15.622 1.00 53.51 N ATOM 1112 CA GLU A 72 29.746 23.040 16.099 1.00 25.43 C ATOM 1113 C GLU A 72 28.543 23.032 15.162 1.00 33.41 C ATOM 1114 O GLU A 72 27.395 22.995 15.604 1.00 73.40 O ATOM 1115 CB GLU A 72 30.350 24.447 16.201 1.00 22.45 C ATOM 1116 CG GLU A 72 29.843 25.265 17.381 1.00 12.13 C ATOM 1117 CD GLU A 72 28.452 25.829 17.177 1.00 21.13 C ATOM 1118 OE1 GLU A 72 28.338 26.914 16.567 1.00 34.31 O ATOM 1119 OE2 GLU A 72 27.474 25.213 17.651 1.00 21.12 O ATOM 0 H GLU A 72 31.548 22.552 15.151 1.00 53.51 H new ATOM 0 HA GLU A 72 29.406 22.732 17.088 1.00 25.43 H new ATOM 0 HB2 GLU A 72 31.434 24.359 16.274 1.00 22.45 H new ATOM 0 HB3 GLU A 72 30.136 24.989 15.280 1.00 22.45 H new ATOM 0 HG2 GLU A 72 29.845 24.639 18.273 1.00 12.13 H new ATOM 0 HG3 GLU A 72 30.535 26.086 17.567 1.00 12.13 H new ATOM 1126 N LEU A 73 28.811 23.032 13.865 1.00 73.25 N ATOM 1127 CA LEU A 73 27.750 23.022 12.873 1.00 13.42 C ATOM 1128 C LEU A 73 27.488 21.593 12.403 1.00 3.21 C ATOM 1129 O LEU A 73 28.424 20.801 12.277 1.00 21.12 O ATOM 1130 CB LEU A 73 28.101 23.922 11.678 1.00 45.25 C ATOM 1131 CG LEU A 73 28.236 25.422 11.981 1.00 34.40 C ATOM 1132 CD1 LEU A 73 29.570 25.730 12.648 1.00 1.43 C ATOM 1133 CD2 LEU A 73 28.078 26.237 10.708 1.00 14.24 C ATOM 0 H LEU A 73 29.754 23.039 13.476 1.00 73.25 H new ATOM 0 HA LEU A 73 26.845 23.416 13.336 1.00 13.42 H new ATOM 0 HB2 LEU A 73 29.040 23.572 11.249 1.00 45.25 H new ATOM 0 HB3 LEU A 73 27.334 23.793 10.914 1.00 45.25 H new ATOM 0 HG LEU A 73 27.442 25.698 12.674 1.00 34.40 H new ATOM 0 HD11 LEU A 73 29.637 26.799 12.851 1.00 1.43 H new ATOM 0 HD12 LEU A 73 29.644 25.178 13.585 1.00 1.43 H new ATOM 0 HD13 LEU A 73 30.384 25.434 11.987 1.00 1.43 H new ATOM 0 HD21 LEU A 73 28.176 27.297 10.940 1.00 14.24 H new ATOM 0 HD22 LEU A 73 28.849 25.949 9.994 1.00 14.24 H new ATOM 0 HD23 LEU A 73 27.095 26.050 10.276 1.00 14.24 H new ATOM 1145 N PRO A 74 26.220 21.226 12.154 1.00 15.30 N ATOM 1146 CA PRO A 74 25.067 22.130 12.308 1.00 74.21 C ATOM 1147 C PRO A 74 24.766 22.443 13.777 1.00 3.21 C ATOM 1148 O PRO A 74 24.870 21.573 14.647 1.00 20.44 O ATOM 1149 CB PRO A 74 23.921 21.341 11.672 1.00 52.45 C ATOM 1150 CG PRO A 74 24.315 19.915 11.836 1.00 33.51 C ATOM 1151 CD PRO A 74 25.810 19.885 11.704 1.00 1.34 C ATOM 0 HA PRO A 74 25.238 23.103 11.847 1.00 74.21 H new ATOM 0 HB2 PRO A 74 22.972 21.550 12.167 1.00 52.45 H new ATOM 0 HB3 PRO A 74 23.796 21.600 10.621 1.00 52.45 H new ATOM 0 HG2 PRO A 74 24.001 19.532 12.807 1.00 33.51 H new ATOM 0 HG3 PRO A 74 23.843 19.289 11.078 1.00 33.51 H new ATOM 0 HD2 PRO A 74 26.252 19.102 12.320 1.00 1.34 H new ATOM 0 HD3 PRO A 74 26.119 19.694 10.676 1.00 1.34 H new ATOM 1159 N SER A 75 24.400 23.689 14.041 1.00 34.34 N ATOM 1160 CA SER A 75 24.208 24.166 15.406 1.00 31.40 C ATOM 1161 C SER A 75 22.746 24.029 15.851 1.00 52.02 C ATOM 1162 O SER A 75 21.841 23.975 15.020 1.00 0.30 O ATOM 1163 CB SER A 75 24.676 25.622 15.506 1.00 31.21 C ATOM 1164 OG SER A 75 24.255 26.377 14.381 1.00 22.13 O ATOM 0 H SER A 75 24.229 24.393 13.323 1.00 34.34 H new ATOM 0 HA SER A 75 24.805 23.549 16.078 1.00 31.40 H new ATOM 0 HB2 SER A 75 24.281 26.072 16.417 1.00 31.21 H new ATOM 0 HB3 SER A 75 25.763 25.653 15.581 1.00 31.21 H new ATOM 0 HG SER A 75 24.566 27.302 14.473 1.00 22.13 H new ATOM 1170 N PRO A 76 22.508 23.969 17.179 1.00 45.34 N ATOM 1171 CA PRO A 76 21.162 23.792 17.757 1.00 5.21 C ATOM 1172 C PRO A 76 20.125 24.790 17.234 1.00 44.52 C ATOM 1173 O PRO A 76 19.077 24.386 16.731 1.00 51.42 O ATOM 1174 CB PRO A 76 21.391 24.005 19.254 1.00 72.21 C ATOM 1175 CG PRO A 76 22.811 23.626 19.471 1.00 41.55 C ATOM 1176 CD PRO A 76 23.542 24.043 18.229 1.00 65.15 C ATOM 0 HA PRO A 76 20.750 22.817 17.494 1.00 5.21 H new ATOM 0 HB2 PRO A 76 21.209 25.041 19.540 1.00 72.21 H new ATOM 0 HB3 PRO A 76 20.720 23.387 19.850 1.00 72.21 H new ATOM 0 HG2 PRO A 76 23.219 24.125 20.350 1.00 41.55 H new ATOM 0 HG3 PRO A 76 22.908 22.553 19.640 1.00 41.55 H new ATOM 0 HD2 PRO A 76 23.948 25.050 18.322 1.00 65.15 H new ATOM 0 HD3 PRO A 76 24.380 23.380 18.015 1.00 65.15 H new ATOM 1184 N GLU A 77 20.411 26.087 17.347 1.00 41.22 N ATOM 1185 CA GLU A 77 19.449 27.112 16.926 1.00 22.44 C ATOM 1186 C GLU A 77 19.281 27.123 15.415 1.00 43.15 C ATOM 1187 O GLU A 77 18.260 27.573 14.899 1.00 12.42 O ATOM 1188 CB GLU A 77 19.865 28.496 17.417 1.00 61.33 C ATOM 1189 CG GLU A 77 19.798 28.649 18.924 1.00 22.41 C ATOM 1190 CD GLU A 77 19.837 30.095 19.363 1.00 43.51 C ATOM 1191 OE1 GLU A 77 18.759 30.717 19.456 1.00 3.44 O ATOM 1192 OE2 GLU A 77 20.942 30.615 19.622 1.00 23.01 O ATOM 0 H GLU A 77 21.287 26.452 17.721 1.00 41.22 H new ATOM 0 HA GLU A 77 18.490 26.859 17.378 1.00 22.44 H new ATOM 0 HB2 GLU A 77 20.883 28.700 17.084 1.00 61.33 H new ATOM 0 HB3 GLU A 77 19.222 29.245 16.955 1.00 61.33 H new ATOM 0 HG2 GLU A 77 18.883 28.186 19.292 1.00 22.41 H new ATOM 0 HG3 GLU A 77 20.632 28.113 19.378 1.00 22.41 H new ATOM 1199 N ASP A 78 20.289 26.635 14.716 1.00 64.10 N ATOM 1200 CA ASP A 78 20.226 26.462 13.270 1.00 20.24 C ATOM 1201 C ASP A 78 19.187 25.389 12.934 1.00 23.41 C ATOM 1202 O ASP A 78 18.237 25.626 12.176 1.00 70.25 O ATOM 1203 CB ASP A 78 21.622 26.088 12.759 1.00 74.32 C ATOM 1204 CG ASP A 78 21.661 25.637 11.314 1.00 33.44 C ATOM 1205 OD1 ASP A 78 21.034 26.293 10.465 1.00 54.10 O ATOM 1206 OD2 ASP A 78 22.335 24.620 11.035 1.00 35.31 O ATOM 0 H ASP A 78 21.175 26.347 15.131 1.00 64.10 H new ATOM 0 HA ASP A 78 19.918 27.385 12.779 1.00 20.24 H new ATOM 0 HB2 ASP A 78 22.281 26.949 12.876 1.00 74.32 H new ATOM 0 HB3 ASP A 78 22.024 25.292 13.386 1.00 74.32 H new ATOM 1211 N VAL A 79 19.355 24.227 13.563 1.00 70.42 N ATOM 1212 CA VAL A 79 18.402 23.125 13.444 1.00 65.40 C ATOM 1213 C VAL A 79 16.992 23.582 13.817 1.00 5.45 C ATOM 1214 O VAL A 79 16.027 23.317 13.098 1.00 24.20 O ATOM 1215 CB VAL A 79 18.823 21.949 14.357 1.00 45.54 C ATOM 1216 CG1 VAL A 79 17.755 20.865 14.402 1.00 25.41 C ATOM 1217 CG2 VAL A 79 20.149 21.368 13.894 1.00 2.33 C ATOM 0 H VAL A 79 20.152 24.023 14.167 1.00 70.42 H new ATOM 0 HA VAL A 79 18.400 22.793 12.406 1.00 65.40 H new ATOM 0 HB VAL A 79 18.941 22.339 15.368 1.00 45.54 H new ATOM 0 HG11 VAL A 79 18.085 20.055 15.053 1.00 25.41 H new ATOM 0 HG12 VAL A 79 16.826 21.285 14.788 1.00 25.41 H new ATOM 0 HG13 VAL A 79 17.587 20.477 13.397 1.00 25.41 H new ATOM 0 HG21 VAL A 79 20.432 20.542 14.546 1.00 2.33 H new ATOM 0 HG22 VAL A 79 20.050 21.005 12.871 1.00 2.33 H new ATOM 0 HG23 VAL A 79 20.918 22.140 13.932 1.00 2.33 H new ATOM 1227 N GLU A 80 16.890 24.277 14.943 1.00 62.32 N ATOM 1228 CA GLU A 80 15.619 24.802 15.424 1.00 15.51 C ATOM 1229 C GLU A 80 14.983 25.729 14.391 1.00 42.51 C ATOM 1230 O GLU A 80 13.776 25.668 14.139 1.00 73.11 O ATOM 1231 CB GLU A 80 15.838 25.561 16.734 1.00 72.14 C ATOM 1232 CG GLU A 80 14.585 26.213 17.287 1.00 41.52 C ATOM 1233 CD GLU A 80 14.867 27.017 18.535 1.00 51.12 C ATOM 1234 OE1 GLU A 80 15.229 28.205 18.413 1.00 23.22 O ATOM 1235 OE2 GLU A 80 14.747 26.458 19.644 1.00 11.14 O ATOM 0 H GLU A 80 17.684 24.492 15.547 1.00 62.32 H new ATOM 0 HA GLU A 80 14.943 23.964 15.594 1.00 15.51 H new ATOM 0 HB2 GLU A 80 16.235 24.872 17.479 1.00 72.14 H new ATOM 0 HB3 GLU A 80 16.595 26.329 16.575 1.00 72.14 H new ATOM 0 HG2 GLU A 80 14.150 26.863 16.528 1.00 41.52 H new ATOM 0 HG3 GLU A 80 13.845 25.444 17.511 1.00 41.52 H new ATOM 1242 N ARG A 81 15.809 26.573 13.790 1.00 50.40 N ATOM 1243 CA ARG A 81 15.340 27.566 12.838 1.00 73.35 C ATOM 1244 C ARG A 81 14.752 26.901 11.602 1.00 24.52 C ATOM 1245 O ARG A 81 13.618 27.199 11.208 1.00 72.03 O ATOM 1246 CB ARG A 81 16.486 28.501 12.450 1.00 51.11 C ATOM 1247 CG ARG A 81 16.046 29.738 11.686 1.00 33.12 C ATOM 1248 CD ARG A 81 17.114 30.819 11.736 1.00 12.04 C ATOM 1249 NE ARG A 81 17.487 31.136 13.117 1.00 54.21 N ATOM 1250 CZ ARG A 81 17.299 32.327 13.689 1.00 1.12 C ATOM 1251 NH1 ARG A 81 16.781 33.331 12.994 1.00 25.34 N ATOM 1252 NH2 ARG A 81 17.632 32.514 14.963 1.00 65.00 N ATOM 0 H ARG A 81 16.817 26.588 13.948 1.00 50.40 H new ATOM 0 HA ARG A 81 14.551 28.151 13.311 1.00 73.35 H new ATOM 0 HB2 ARG A 81 17.008 28.813 13.354 1.00 51.11 H new ATOM 0 HB3 ARG A 81 17.202 27.948 11.843 1.00 51.11 H new ATOM 0 HG2 ARG A 81 15.839 29.474 10.649 1.00 33.12 H new ATOM 0 HG3 ARG A 81 15.117 30.120 12.110 1.00 33.12 H new ATOM 0 HD2 ARG A 81 17.995 30.488 11.186 1.00 12.04 H new ATOM 0 HD3 ARG A 81 16.748 31.718 11.241 1.00 12.04 H new ATOM 0 HE ARG A 81 17.918 30.400 13.677 1.00 54.21 H new ATOM 0 HH11 ARG A 81 16.524 33.195 12.016 1.00 25.34 H new ATOM 0 HH12 ARG A 81 16.640 34.239 13.437 1.00 25.34 H new ATOM 0 HH21 ARG A 81 18.031 31.747 15.504 1.00 65.00 H new ATOM 0 HH22 ARG A 81 17.488 33.425 15.399 1.00 65.00 H new ATOM 1266 N VAL A 82 15.503 25.983 10.998 1.00 32.54 N ATOM 1267 CA VAL A 82 15.012 25.298 9.809 1.00 71.44 C ATOM 1268 C VAL A 82 13.793 24.441 10.162 1.00 64.30 C ATOM 1269 O VAL A 82 12.892 24.267 9.346 1.00 33.50 O ATOM 1270 CB VAL A 82 16.098 24.427 9.132 1.00 10.34 C ATOM 1271 CG1 VAL A 82 16.165 23.033 9.741 1.00 44.34 C ATOM 1272 CG2 VAL A 82 15.859 24.349 7.630 1.00 23.43 C ATOM 0 H VAL A 82 16.434 25.702 11.305 1.00 32.54 H new ATOM 0 HA VAL A 82 14.726 26.067 9.091 1.00 71.44 H new ATOM 0 HB VAL A 82 17.062 24.905 9.308 1.00 10.34 H new ATOM 0 HG11 VAL A 82 16.939 22.453 9.238 1.00 44.34 H new ATOM 0 HG12 VAL A 82 16.401 23.111 10.802 1.00 44.34 H new ATOM 0 HG13 VAL A 82 15.203 22.536 9.619 1.00 44.34 H new ATOM 0 HG21 VAL A 82 16.632 23.733 7.170 1.00 23.43 H new ATOM 0 HG22 VAL A 82 14.881 23.907 7.440 1.00 23.43 H new ATOM 0 HG23 VAL A 82 15.893 25.352 7.204 1.00 23.43 H new ATOM 1282 N ARG A 83 13.765 23.928 11.394 1.00 12.43 N ATOM 1283 CA ARG A 83 12.625 23.159 11.874 1.00 22.25 C ATOM 1284 C ARG A 83 11.362 24.008 11.819 1.00 63.13 C ATOM 1285 O ARG A 83 10.360 23.603 11.239 1.00 31.24 O ATOM 1286 CB ARG A 83 12.859 22.682 13.313 1.00 63.22 C ATOM 1287 CG ARG A 83 11.679 21.923 13.903 1.00 61.31 C ATOM 1288 CD ARG A 83 11.759 21.846 15.421 1.00 74.43 C ATOM 1289 NE ARG A 83 12.853 20.997 15.893 1.00 41.44 N ATOM 1290 CZ ARG A 83 13.604 21.274 16.961 1.00 73.12 C ATOM 1291 NH1 ARG A 83 13.440 22.421 17.615 1.00 20.14 N ATOM 1292 NH2 ARG A 83 14.514 20.401 17.373 1.00 15.30 N ATOM 0 H ARG A 83 14.519 24.033 12.073 1.00 12.43 H new ATOM 0 HA ARG A 83 12.506 22.288 11.230 1.00 22.25 H new ATOM 0 HB2 ARG A 83 13.740 22.041 13.336 1.00 63.22 H new ATOM 0 HB3 ARG A 83 13.076 23.545 13.942 1.00 63.22 H new ATOM 0 HG2 ARG A 83 10.750 22.413 13.612 1.00 61.31 H new ATOM 0 HG3 ARG A 83 11.651 20.915 13.489 1.00 61.31 H new ATOM 0 HD2 ARG A 83 11.886 22.851 15.824 1.00 74.43 H new ATOM 0 HD3 ARG A 83 10.815 21.463 15.810 1.00 74.43 H new ATOM 0 HE ARG A 83 13.054 20.142 15.375 1.00 41.44 H new ATOM 0 HH11 ARG A 83 12.739 23.092 17.301 1.00 20.14 H new ATOM 0 HH12 ARG A 83 14.016 22.630 18.431 1.00 20.14 H new ATOM 0 HH21 ARG A 83 14.639 19.520 16.874 1.00 15.30 H new ATOM 0 HH22 ARG A 83 15.089 20.611 18.189 1.00 15.30 H new ATOM 1306 N ALA A 84 11.428 25.194 12.410 1.00 12.14 N ATOM 1307 CA ALA A 84 10.284 26.094 12.454 1.00 60.24 C ATOM 1308 C ALA A 84 9.861 26.522 11.052 1.00 70.42 C ATOM 1309 O ALA A 84 8.672 26.542 10.731 1.00 23.24 O ATOM 1310 CB ALA A 84 10.606 27.313 13.304 1.00 63.52 C ATOM 0 H ALA A 84 12.265 25.556 12.867 1.00 12.14 H new ATOM 0 HA ALA A 84 9.450 25.557 12.906 1.00 60.24 H new ATOM 0 HB1 ALA A 84 9.743 27.978 13.329 1.00 63.52 H new ATOM 0 HB2 ALA A 84 10.849 26.996 14.318 1.00 63.52 H new ATOM 0 HB3 ALA A 84 11.458 27.841 12.875 1.00 63.52 H new ATOM 1316 N ARG A 85 10.841 26.848 10.219 1.00 4.11 N ATOM 1317 CA ARG A 85 10.566 27.328 8.872 1.00 74.14 C ATOM 1318 C ARG A 85 9.955 26.229 7.997 1.00 31.20 C ATOM 1319 O ARG A 85 9.064 26.494 7.193 1.00 12.24 O ATOM 1320 CB ARG A 85 11.856 27.866 8.243 1.00 14.31 C ATOM 1321 CG ARG A 85 11.673 28.524 6.881 1.00 15.44 C ATOM 1322 CD ARG A 85 10.680 29.680 6.923 1.00 12.24 C ATOM 1323 NE ARG A 85 9.329 29.252 6.567 1.00 30.11 N ATOM 1324 CZ ARG A 85 8.216 29.858 6.978 1.00 74.23 C ATOM 1325 NH1 ARG A 85 8.283 30.916 7.779 1.00 74.02 N ATOM 1326 NH2 ARG A 85 7.032 29.409 6.582 1.00 62.23 N ATOM 0 H ARG A 85 11.832 26.789 10.453 1.00 4.11 H new ATOM 0 HA ARG A 85 9.835 28.134 8.937 1.00 74.14 H new ATOM 0 HB2 ARG A 85 12.302 28.590 8.925 1.00 14.31 H new ATOM 0 HB3 ARG A 85 12.565 27.044 8.142 1.00 14.31 H new ATOM 0 HG2 ARG A 85 12.636 28.889 6.524 1.00 15.44 H new ATOM 0 HG3 ARG A 85 11.329 27.779 6.164 1.00 15.44 H new ATOM 0 HD2 ARG A 85 10.671 30.115 7.922 1.00 12.24 H new ATOM 0 HD3 ARG A 85 11.005 30.463 6.238 1.00 12.24 H new ATOM 0 HE ARG A 85 9.232 28.435 5.964 1.00 30.11 H new ATOM 0 HH11 ARG A 85 9.190 31.269 8.083 1.00 74.02 H new ATOM 0 HH12 ARG A 85 7.427 31.375 8.090 1.00 74.02 H new ATOM 0 HH21 ARG A 85 6.974 28.600 5.963 1.00 62.23 H new ATOM 0 HH22 ARG A 85 6.180 29.873 6.896 1.00 62.23 H new ATOM 1340 N LEU A 86 10.421 24.996 8.163 1.00 63.41 N ATOM 1341 CA LEU A 86 9.949 23.883 7.336 1.00 3.23 C ATOM 1342 C LEU A 86 8.639 23.295 7.852 1.00 51.33 C ATOM 1343 O LEU A 86 7.781 22.911 7.058 1.00 11.12 O ATOM 1344 CB LEU A 86 11.010 22.782 7.247 1.00 64.25 C ATOM 1345 CG LEU A 86 11.995 22.903 6.078 1.00 51.31 C ATOM 1346 CD1 LEU A 86 11.283 22.670 4.755 1.00 63.43 C ATOM 1347 CD2 LEU A 86 12.669 24.265 6.077 1.00 3.31 C ATOM 0 H LEU A 86 11.122 24.739 8.858 1.00 63.41 H new ATOM 0 HA LEU A 86 9.765 24.289 6.341 1.00 3.23 H new ATOM 0 HB2 LEU A 86 11.578 22.773 8.177 1.00 64.25 H new ATOM 0 HB3 LEU A 86 10.504 21.820 7.174 1.00 64.25 H new ATOM 0 HG LEU A 86 12.762 22.139 6.203 1.00 51.31 H new ATOM 0 HD11 LEU A 86 11.997 22.760 3.937 1.00 63.43 H new ATOM 0 HD12 LEU A 86 10.846 21.671 4.748 1.00 63.43 H new ATOM 0 HD13 LEU A 86 10.494 23.412 4.631 1.00 63.43 H new ATOM 0 HD21 LEU A 86 13.363 24.327 5.239 1.00 3.31 H new ATOM 0 HD22 LEU A 86 11.913 25.045 5.981 1.00 3.31 H new ATOM 0 HD23 LEU A 86 13.215 24.402 7.011 1.00 3.31 H new ATOM 1359 N ALA A 87 8.481 23.247 9.174 1.00 64.31 N ATOM 1360 CA ALA A 87 7.299 22.639 9.793 1.00 55.30 C ATOM 1361 C ALA A 87 6.010 23.329 9.358 1.00 40.51 C ATOM 1362 O ALA A 87 4.936 22.728 9.385 1.00 60.31 O ATOM 1363 CB ALA A 87 7.421 22.669 11.308 1.00 2.20 C ATOM 0 H ALA A 87 9.157 23.622 9.840 1.00 64.31 H new ATOM 0 HA ALA A 87 7.251 21.604 9.455 1.00 55.30 H new ATOM 0 HB1 ALA A 87 6.536 22.214 11.753 1.00 2.20 H new ATOM 0 HB2 ALA A 87 8.307 22.113 11.613 1.00 2.20 H new ATOM 0 HB3 ALA A 87 7.507 23.702 11.646 1.00 2.20 H new ATOM 1369 N ALA A 88 6.123 24.585 8.946 1.00 12.20 N ATOM 1370 CA ALA A 88 4.966 25.358 8.506 1.00 35.54 C ATOM 1371 C ALA A 88 4.361 24.785 7.223 1.00 70.35 C ATOM 1372 O ALA A 88 3.209 25.069 6.890 1.00 34.21 O ATOM 1373 CB ALA A 88 5.354 26.816 8.306 1.00 1.20 C ATOM 0 H ALA A 88 7.007 25.093 8.907 1.00 12.20 H new ATOM 0 HA ALA A 88 4.206 25.295 9.285 1.00 35.54 H new ATOM 0 HB1 ALA A 88 4.483 27.383 7.978 1.00 1.20 H new ATOM 0 HB2 ALA A 88 5.721 27.227 9.246 1.00 1.20 H new ATOM 0 HB3 ALA A 88 6.137 26.884 7.550 1.00 1.20 H new ATOM 1379 N GLN A 89 5.136 23.979 6.505 1.00 43.22 N ATOM 1380 CA GLN A 89 4.662 23.367 5.268 1.00 34.15 C ATOM 1381 C GLN A 89 4.534 21.856 5.430 1.00 43.51 C ATOM 1382 O GLN A 89 4.340 21.132 4.453 1.00 25.11 O ATOM 1383 CB GLN A 89 5.597 23.676 4.089 1.00 71.20 C ATOM 1384 CG GLN A 89 5.703 25.159 3.732 1.00 64.44 C ATOM 1385 CD GLN A 89 6.506 25.990 4.725 1.00 71.20 C ATOM 1386 OE1 GLN A 89 6.230 27.172 4.929 1.00 75.44 O ATOM 1387 NE2 GLN A 89 7.519 25.393 5.332 1.00 62.23 N ATOM 0 H GLN A 89 6.094 23.734 6.757 1.00 43.22 H new ATOM 0 HA GLN A 89 3.682 23.794 5.053 1.00 34.15 H new ATOM 0 HB2 GLN A 89 6.593 23.300 4.324 1.00 71.20 H new ATOM 0 HB3 GLN A 89 5.249 23.129 3.213 1.00 71.20 H new ATOM 0 HG2 GLN A 89 6.160 25.251 2.747 1.00 64.44 H new ATOM 0 HG3 GLN A 89 4.698 25.575 3.658 1.00 64.44 H new ATOM 0 HE21 GLN A 89 7.721 24.412 5.141 1.00 62.23 H new ATOM 0 HE22 GLN A 89 8.097 25.914 5.991 1.00 62.23 H new ATOM 1396 N GLY A 90 4.643 21.389 6.665 1.00 41.15 N ATOM 1397 CA GLY A 90 4.547 19.970 6.933 1.00 31.11 C ATOM 1398 C GLY A 90 5.848 19.402 7.455 1.00 31.14 C ATOM 1399 O GLY A 90 6.832 20.128 7.607 1.00 41.14 O ATOM 0 H GLY A 90 4.797 21.970 7.489 1.00 41.15 H new ATOM 0 HA2 GLY A 90 3.756 19.791 7.661 1.00 31.11 H new ATOM 0 HA3 GLY A 90 4.264 19.447 6.020 1.00 31.11 H new ATOM 1403 N TRP A 91 5.861 18.104 7.717 1.00 1.05 N ATOM 1404 CA TRP A 91 7.040 17.450 8.260 1.00 21.13 C ATOM 1405 C TRP A 91 6.974 15.946 7.998 1.00 24.15 C ATOM 1406 O TRP A 91 6.440 15.186 8.803 1.00 54.32 O ATOM 1407 CB TRP A 91 7.152 17.731 9.761 1.00 54.31 C ATOM 1408 CG TRP A 91 8.496 17.416 10.342 1.00 20.42 C ATOM 1409 CD1 TRP A 91 8.876 16.261 10.959 1.00 65.12 C ATOM 1410 CD2 TRP A 91 9.636 18.281 10.369 1.00 12.15 C ATOM 1411 NE1 TRP A 91 10.186 16.352 11.363 1.00 72.51 N ATOM 1412 CE2 TRP A 91 10.674 17.584 11.011 1.00 54.41 C ATOM 1413 CE3 TRP A 91 9.879 19.576 9.905 1.00 43.04 C ATOM 1414 CZ2 TRP A 91 11.935 18.140 11.205 1.00 22.23 C ATOM 1415 CZ3 TRP A 91 11.130 20.129 10.099 1.00 21.42 C ATOM 1416 CH2 TRP A 91 12.145 19.411 10.744 1.00 15.43 C ATOM 0 H TRP A 91 5.067 17.483 7.562 1.00 1.05 H new ATOM 0 HA TRP A 91 7.926 17.848 7.766 1.00 21.13 H new ATOM 0 HB2 TRP A 91 6.927 18.782 9.941 1.00 54.31 H new ATOM 0 HB3 TRP A 91 6.395 17.149 10.287 1.00 54.31 H new ATOM 0 HD1 TRP A 91 8.240 15.401 11.108 1.00 65.12 H new ATOM 0 HE1 TRP A 91 10.710 15.622 11.846 1.00 72.51 H new ATOM 0 HE3 TRP A 91 9.103 20.135 9.404 1.00 43.04 H new ATOM 0 HZ2 TRP A 91 12.719 17.588 11.701 1.00 22.23 H new ATOM 0 HZ3 TRP A 91 11.329 21.131 9.748 1.00 21.42 H new ATOM 0 HH2 TRP A 91 13.113 19.870 10.880 1.00 15.43 H new ATOM 1427 N PRO A 92 7.496 15.501 6.844 1.00 64.14 N ATOM 1428 CA PRO A 92 7.478 14.094 6.448 1.00 60.55 C ATOM 1429 C PRO A 92 8.676 13.311 6.986 1.00 0.42 C ATOM 1430 O PRO A 92 8.999 12.229 6.490 1.00 12.41 O ATOM 1431 CB PRO A 92 7.534 14.184 4.927 1.00 45.11 C ATOM 1432 CG PRO A 92 8.346 15.405 4.651 1.00 23.52 C ATOM 1433 CD PRO A 92 8.126 16.346 5.812 1.00 20.11 C ATOM 0 HA PRO A 92 6.610 13.563 6.839 1.00 60.55 H new ATOM 0 HB2 PRO A 92 7.994 13.296 4.494 1.00 45.11 H new ATOM 0 HB3 PRO A 92 6.535 14.267 4.498 1.00 45.11 H new ATOM 0 HG2 PRO A 92 9.402 15.153 4.552 1.00 23.52 H new ATOM 0 HG3 PRO A 92 8.040 15.869 3.714 1.00 23.52 H new ATOM 0 HD2 PRO A 92 9.066 16.772 6.164 1.00 20.11 H new ATOM 0 HD3 PRO A 92 7.483 17.181 5.533 1.00 20.11 H new ATOM 1441 N LEU A 93 9.337 13.865 7.992 1.00 21.21 N ATOM 1442 CA LEU A 93 10.479 13.198 8.607 1.00 44.02 C ATOM 1443 C LEU A 93 10.034 12.411 9.832 1.00 73.14 C ATOM 1444 O LEU A 93 10.712 11.482 10.267 1.00 62.40 O ATOM 1445 CB LEU A 93 11.554 14.206 9.022 1.00 23.12 C ATOM 1446 CG LEU A 93 12.056 15.144 7.922 1.00 64.11 C ATOM 1447 CD1 LEU A 93 13.242 15.951 8.426 1.00 64.22 C ATOM 1448 CD2 LEU A 93 12.432 14.367 6.670 1.00 63.12 C ATOM 0 H LEU A 93 9.105 14.771 8.400 1.00 21.21 H new ATOM 0 HA LEU A 93 10.902 12.520 7.866 1.00 44.02 H new ATOM 0 HB2 LEU A 93 11.159 14.813 9.837 1.00 23.12 H new ATOM 0 HB3 LEU A 93 12.407 13.655 9.419 1.00 23.12 H new ATOM 0 HG LEU A 93 11.249 15.828 7.660 1.00 64.11 H new ATOM 0 HD11 LEU A 93 13.592 16.615 7.636 1.00 64.22 H new ATOM 0 HD12 LEU A 93 12.939 16.543 9.290 1.00 64.22 H new ATOM 0 HD13 LEU A 93 14.047 15.274 8.714 1.00 64.22 H new ATOM 0 HD21 LEU A 93 12.785 15.058 5.905 1.00 63.12 H new ATOM 0 HD22 LEU A 93 13.222 13.654 6.908 1.00 63.12 H new ATOM 0 HD23 LEU A 93 11.559 13.830 6.299 1.00 63.12 H new ATOM 1460 N ASP A 94 8.885 12.791 10.373 1.00 75.24 N ATOM 1461 CA ASP A 94 8.371 12.199 11.599 1.00 4.40 C ATOM 1462 C ASP A 94 6.881 12.513 11.701 1.00 41.41 C ATOM 1463 O ASP A 94 6.240 12.797 10.690 1.00 14.45 O ATOM 1464 CB ASP A 94 9.130 12.770 12.809 1.00 63.34 C ATOM 1465 CG ASP A 94 9.065 11.874 14.034 1.00 62.41 C ATOM 1466 OD1 ASP A 94 8.116 12.012 14.832 1.00 74.41 O ATOM 1467 OD2 ASP A 94 9.973 11.039 14.211 1.00 43.30 O ATOM 0 H ASP A 94 8.286 13.515 9.976 1.00 75.24 H new ATOM 0 HA ASP A 94 8.513 11.118 11.587 1.00 4.40 H new ATOM 0 HB2 ASP A 94 10.174 12.925 12.535 1.00 63.34 H new ATOM 0 HB3 ASP A 94 8.718 13.748 13.060 1.00 63.34 H new ATOM 1472 N ASP A 95 6.337 12.468 12.905 1.00 73.02 N ATOM 1473 CA ASP A 95 4.938 12.797 13.123 1.00 2.34 C ATOM 1474 C ASP A 95 4.819 14.118 13.864 1.00 51.34 C ATOM 1475 O ASP A 95 5.706 14.496 14.632 1.00 12.12 O ATOM 1476 CB ASP A 95 4.238 11.688 13.907 1.00 41.44 C ATOM 1477 CG ASP A 95 2.789 12.009 14.213 1.00 74.21 C ATOM 1478 OD1 ASP A 95 2.028 12.295 13.265 1.00 34.21 O ATOM 1479 OD2 ASP A 95 2.403 11.949 15.398 1.00 54.30 O ATOM 0 H ASP A 95 6.845 12.206 13.750 1.00 73.02 H new ATOM 0 HA ASP A 95 4.452 12.891 12.152 1.00 2.34 H new ATOM 0 HB2 ASP A 95 4.287 10.760 13.337 1.00 41.44 H new ATOM 0 HB3 ASP A 95 4.773 11.517 14.841 1.00 41.44 H new ATOM 1484 N VAL A 96 3.723 14.815 13.633 1.00 71.32 N ATOM 1485 CA VAL A 96 3.510 16.123 14.230 1.00 22.53 C ATOM 1486 C VAL A 96 2.158 16.188 14.933 1.00 14.41 C ATOM 1487 O VAL A 96 1.110 16.169 14.286 1.00 35.44 O ATOM 1488 CB VAL A 96 3.582 17.251 13.178 1.00 52.40 C ATOM 1489 CG1 VAL A 96 3.385 18.613 13.828 1.00 14.32 C ATOM 1490 CG2 VAL A 96 4.902 17.206 12.427 1.00 21.21 C ATOM 0 H VAL A 96 2.962 14.497 13.033 1.00 71.32 H new ATOM 0 HA VAL A 96 4.309 16.269 14.957 1.00 22.53 H new ATOM 0 HB VAL A 96 2.775 17.094 12.462 1.00 52.40 H new ATOM 0 HG11 VAL A 96 3.440 19.391 13.067 1.00 14.32 H new ATOM 0 HG12 VAL A 96 2.409 18.647 14.312 1.00 14.32 H new ATOM 0 HG13 VAL A 96 4.165 18.777 14.572 1.00 14.32 H new ATOM 0 HG21 VAL A 96 4.930 18.010 11.691 1.00 21.21 H new ATOM 0 HG22 VAL A 96 5.725 17.329 13.131 1.00 21.21 H new ATOM 0 HG23 VAL A 96 4.999 16.246 11.919 1.00 21.21 H new ATOM 1500 N ARG A 97 2.190 16.238 16.258 1.00 41.12 N ATOM 1501 CA ARG A 97 0.986 16.478 17.043 1.00 64.31 C ATOM 1502 C ARG A 97 1.152 17.777 17.818 1.00 4.21 C ATOM 1503 O ARG A 97 1.756 17.800 18.893 1.00 42.12 O ATOM 1504 CB ARG A 97 0.694 15.325 18.013 1.00 63.00 C ATOM 1505 CG ARG A 97 0.609 13.955 17.356 1.00 70.22 C ATOM 1506 CD ARG A 97 -0.277 13.963 16.120 1.00 74.05 C ATOM 1507 NE ARG A 97 -1.644 14.399 16.401 1.00 74.14 N ATOM 1508 CZ ARG A 97 -2.350 15.181 15.584 1.00 21.31 C ATOM 1509 NH1 ARG A 97 -1.785 15.685 14.493 1.00 42.30 N ATOM 1510 NH2 ARG A 97 -3.611 15.474 15.868 1.00 4.22 N ATOM 0 H ARG A 97 3.037 16.115 16.812 1.00 41.12 H new ATOM 0 HA ARG A 97 0.140 16.549 16.359 1.00 64.31 H new ATOM 0 HB2 ARG A 97 1.473 15.301 18.775 1.00 63.00 H new ATOM 0 HB3 ARG A 97 -0.246 15.527 18.526 1.00 63.00 H new ATOM 0 HG2 ARG A 97 1.610 13.624 17.081 1.00 70.22 H new ATOM 0 HG3 ARG A 97 0.221 13.233 18.074 1.00 70.22 H new ATOM 0 HD2 ARG A 97 0.161 14.621 15.369 1.00 74.05 H new ATOM 0 HD3 ARG A 97 -0.302 12.961 15.691 1.00 74.05 H new ATOM 0 HE ARG A 97 -2.081 14.088 17.269 1.00 74.14 H new ATOM 0 HH11 ARG A 97 -0.810 15.474 14.280 1.00 42.30 H new ATOM 0 HH12 ARG A 97 -2.326 16.283 13.868 1.00 42.30 H new ATOM 0 HH21 ARG A 97 -4.043 15.101 16.713 1.00 4.22 H new ATOM 0 HH22 ARG A 97 -4.149 16.073 15.241 1.00 4.22 H new ATOM 1524 N ASP A 98 0.635 18.857 17.259 1.00 14.21 N ATOM 1525 CA ASP A 98 0.831 20.183 17.831 1.00 30.32 C ATOM 1526 C ASP A 98 -0.203 20.479 18.910 1.00 50.43 C ATOM 1527 O ASP A 98 -1.232 19.809 19.003 1.00 33.41 O ATOM 1528 CB ASP A 98 0.754 21.259 16.743 1.00 32.43 C ATOM 1529 CG ASP A 98 -0.639 21.400 16.157 1.00 72.12 C ATOM 1530 OD1 ASP A 98 -0.996 20.604 15.264 1.00 71.52 O ATOM 1531 OD2 ASP A 98 -1.379 22.313 16.579 1.00 23.42 O ATOM 0 H ASP A 98 0.074 18.844 16.407 1.00 14.21 H new ATOM 0 HA ASP A 98 1.822 20.198 18.284 1.00 30.32 H new ATOM 0 HB2 ASP A 98 1.066 22.216 17.161 1.00 32.43 H new ATOM 0 HB3 ASP A 98 1.456 21.015 15.946 1.00 32.43 H new ATOM 1536 N ARG A 99 0.090 21.489 19.718 1.00 40.24 N ATOM 1537 CA ARG A 99 -0.812 21.943 20.770 1.00 32.23 C ATOM 1538 C ARG A 99 -0.353 23.299 21.295 1.00 22.32 C ATOM 1539 O ARG A 99 -0.941 24.330 20.966 1.00 1.10 O ATOM 1540 CB ARG A 99 -0.892 20.918 21.911 1.00 64.42 C ATOM 1541 CG ARG A 99 -1.541 21.454 23.179 1.00 3.52 C ATOM 1542 CD ARG A 99 -1.872 20.336 24.153 1.00 23.24 C ATOM 1543 NE ARG A 99 -3.191 19.765 23.891 1.00 64.52 N ATOM 1544 CZ ARG A 99 -3.663 18.670 24.481 1.00 3.44 C ATOM 1545 NH1 ARG A 99 -2.886 17.960 25.291 1.00 14.30 N ATOM 1546 NH2 ARG A 99 -4.910 18.279 24.250 1.00 71.43 N ATOM 0 H ARG A 99 0.961 22.018 19.663 1.00 40.24 H new ATOM 0 HA ARG A 99 -1.812 22.046 20.348 1.00 32.23 H new ATOM 0 HB2 ARG A 99 -1.453 20.049 21.567 1.00 64.42 H new ATOM 0 HB3 ARG A 99 0.115 20.574 22.148 1.00 64.42 H new ATOM 0 HG2 ARG A 99 -0.871 22.168 23.658 1.00 3.52 H new ATOM 0 HG3 ARG A 99 -2.452 21.995 22.922 1.00 3.52 H new ATOM 0 HD2 ARG A 99 -1.116 19.554 24.080 1.00 23.24 H new ATOM 0 HD3 ARG A 99 -1.837 20.719 25.173 1.00 23.24 H new ATOM 0 HE ARG A 99 -3.789 20.236 23.212 1.00 64.52 H new ATOM 0 HH11 ARG A 99 -1.924 18.254 25.462 1.00 14.30 H new ATOM 0 HH12 ARG A 99 -3.251 17.121 25.742 1.00 14.30 H new ATOM 0 HH21 ARG A 99 -5.505 18.818 23.621 1.00 71.43 H new ATOM 0 HH22 ARG A 99 -5.273 17.440 24.702 1.00 71.43 H new ATOM 1560 N GLU A 100 0.714 23.289 22.090 1.00 14.13 N ATOM 1561 CA GLU A 100 1.272 24.511 22.660 1.00 21.13 C ATOM 1562 C GLU A 100 2.448 24.173 23.563 1.00 70.42 C ATOM 1563 O GLU A 100 2.278 23.538 24.602 1.00 75.53 O ATOM 1564 CB GLU A 100 0.216 25.277 23.466 1.00 10.32 C ATOM 1565 CG GLU A 100 0.673 26.651 23.928 1.00 41.30 C ATOM 1566 CD GLU A 100 -0.410 27.397 24.676 1.00 40.11 C ATOM 1567 OE1 GLU A 100 -1.448 27.718 24.061 1.00 63.33 O ATOM 1568 OE2 GLU A 100 -0.234 27.668 25.881 1.00 2.33 O ATOM 0 H GLU A 100 1.213 22.440 22.355 1.00 14.13 H new ATOM 0 HA GLU A 100 1.608 25.143 21.838 1.00 21.13 H new ATOM 0 HB2 GLU A 100 -0.681 25.389 22.857 1.00 10.32 H new ATOM 0 HB3 GLU A 100 -0.062 24.685 24.338 1.00 10.32 H new ATOM 0 HG2 GLU A 100 1.547 26.543 24.571 1.00 41.30 H new ATOM 0 HG3 GLU A 100 0.984 27.237 23.063 1.00 41.30 H new ATOM 1575 N GLU A 101 3.634 24.578 23.158 1.00 40.31 N ATOM 1576 CA GLU A 101 4.820 24.393 23.975 1.00 43.23 C ATOM 1577 C GLU A 101 5.114 25.673 24.733 1.00 61.40 C ATOM 1578 O GLU A 101 5.220 25.684 25.958 1.00 65.34 O ATOM 1579 CB GLU A 101 6.026 24.056 23.105 1.00 33.35 C ATOM 1580 CG GLU A 101 5.838 22.843 22.217 1.00 52.03 C ATOM 1581 CD GLU A 101 7.021 22.641 21.300 1.00 24.22 C ATOM 1582 OE1 GLU A 101 8.023 22.043 21.742 1.00 41.45 O ATOM 1583 OE2 GLU A 101 6.966 23.111 20.147 1.00 45.10 O ATOM 0 H GLU A 101 3.805 25.040 22.265 1.00 40.31 H new ATOM 0 HA GLU A 101 4.636 23.572 24.668 1.00 43.23 H new ATOM 0 HB2 GLU A 101 6.259 24.917 22.479 1.00 33.35 H new ATOM 0 HB3 GLU A 101 6.889 23.889 23.750 1.00 33.35 H new ATOM 0 HG2 GLU A 101 5.700 21.956 22.835 1.00 52.03 H new ATOM 0 HG3 GLU A 101 4.932 22.962 21.623 1.00 52.03 H new ATOM 1590 N HIS A 102 5.222 26.754 23.978 1.00 21.45 N ATOM 1591 CA HIS A 102 5.598 28.052 24.516 1.00 25.33 C ATOM 1592 C HIS A 102 5.206 29.142 23.535 1.00 50.12 C ATOM 1593 O HIS A 102 4.614 28.858 22.495 1.00 63.21 O ATOM 1594 CB HIS A 102 7.113 28.115 24.774 1.00 45.51 C ATOM 1595 CG HIS A 102 7.956 27.742 23.584 1.00 1.23 C ATOM 1596 ND1 HIS A 102 8.116 28.547 22.470 1.00 23.13 N ATOM 1597 CD2 HIS A 102 8.677 26.624 23.336 1.00 10.20 C ATOM 1598 CE1 HIS A 102 8.894 27.933 21.595 1.00 13.04 C ATOM 1599 NE2 HIS A 102 9.249 26.766 22.098 1.00 5.31 N ATOM 0 H HIS A 102 5.051 26.757 22.972 1.00 21.45 H new ATOM 0 HA HIS A 102 5.076 28.201 25.461 1.00 25.33 H new ATOM 0 HB2 HIS A 102 7.375 29.125 25.089 1.00 45.51 H new ATOM 0 HB3 HIS A 102 7.358 27.449 25.602 1.00 45.51 H new ATOM 0 HD1 HIS A 102 7.699 29.469 22.344 1.00 23.13 H new ATOM 0 HD2 HIS A 102 8.783 25.774 23.994 1.00 10.20 H new ATOM 0 HE1 HIS A 102 9.189 28.321 20.631 1.00 13.04 H new ATOM 1608 N ALA A 103 5.542 30.378 23.857 1.00 73.32 N ATOM 1609 CA ALA A 103 5.375 31.469 22.919 1.00 31.42 C ATOM 1610 C ALA A 103 6.722 31.797 22.289 1.00 64.31 C ATOM 1611 O ALA A 103 7.308 32.846 22.625 1.00 52.35 O ATOM 1612 CB ALA A 103 4.779 32.683 23.616 1.00 51.41 C ATOM 1613 OXT ALA A 103 7.225 30.964 21.505 1.00 0.00 O ATOM 0 H ALA A 103 5.931 30.649 24.760 1.00 73.32 H new ATOM 0 HA ALA A 103 4.683 31.173 22.131 1.00 31.42 H new ATOM 0 HB1 ALA A 103 4.660 33.494 22.897 1.00 51.41 H new ATOM 0 HB2 ALA A 103 3.806 32.422 24.033 1.00 51.41 H new ATOM 0 HB3 ALA A 103 5.443 33.004 24.418 1.00 51.41 H new TER 1619 ALA A 103