USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 955 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.18) USER MOD Single : A 13 SER OG : rot 180:sc= 0.12 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -150:sc= -0.378 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -120:sc= -0.51 USER MOD Single : A 35 ASN : amide:sc= -2.48 K(o=-2.5,f=-4.9!) USER MOD Single : A 37 ASN : amide:sc= -0.0381 X(o=-0.038,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -147:sc= -0.915 (180deg=-1.21) USER MOD Single : A 47 THR OG1 : rot 22:sc= 0.422 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -150:sc= -0.392 (180deg=-1.32) USER MOD Single : A 60 MET CE :methyl -125:sc= -2.24 (180deg=-4.97!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -6.08! C(o=-6.1!,f=-12!) USER MOD Single : A 70 LYS NZ :NH3+ -112:sc= 0.379 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -4.7! C(o=-4.7!,f=-6!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -131:sc= -3.77 (180deg=-8.76!) USER MOD Single : A 82 THR OG1 : rot -140:sc= 0.172 USER MOD Single : A 84 HIS : no HD1:sc= -0.576 X(o=-0.58,f=-0.15) USER MOD Single : A 85 SER OG : rot 91:sc= -0.679 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0928 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.0176 K(o=-0.018,f=-0.63) USER MOD Single : A 96 GLN : amide:sc=-0.00466 X(o=-0.0047,f=0) USER MOD Single : A 101 TYR OH : rot -110:sc= 0.18 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -93:sc= 0.245 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.211 K(o=-0.21,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.772 1.404 -6.049 1.00 71.34 N ATOM 2 CA MET A 1 2.497 1.377 -5.343 1.00 34.24 C ATOM 3 C MET A 1 2.640 1.957 -3.939 1.00 45.23 C ATOM 4 O MET A 1 3.611 1.674 -3.238 1.00 21.40 O ATOM 5 CB MET A 1 1.963 -0.055 -5.263 1.00 5.02 C ATOM 6 CG MET A 1 0.664 -0.177 -4.484 1.00 20.04 C ATOM 7 SD MET A 1 -0.439 -1.431 -5.164 1.00 42.31 S ATOM 8 CE MET A 1 -0.636 -2.512 -3.750 1.00 1.01 C ATOM 0 H1 MET A 1 3.650 1.005 -7.001 1.00 71.34 H new ATOM 0 H2 MET A 1 4.106 2.386 -6.125 1.00 71.34 H new ATOM 0 H3 MET A 1 4.471 0.841 -5.524 1.00 71.34 H new ATOM 0 HA MET A 1 1.789 1.990 -5.901 1.00 34.24 H new ATOM 0 HB2 MET A 1 1.808 -0.433 -6.274 1.00 5.02 H new ATOM 0 HB3 MET A 1 2.717 -0.690 -4.798 1.00 5.02 H new ATOM 0 HG2 MET A 1 0.889 -0.421 -3.446 1.00 20.04 H new ATOM 0 HG3 MET A 1 0.155 0.787 -4.482 1.00 20.04 H new ATOM 0 HE1 MET A 1 -1.294 -3.340 -4.014 1.00 1.01 H new ATOM 0 HE2 MET A 1 0.337 -2.903 -3.452 1.00 1.01 H new ATOM 0 HE3 MET A 1 -1.071 -1.952 -2.922 1.00 1.01 H new ATOM 18 N GLN A 2 1.669 2.770 -3.538 1.00 11.35 N ATOM 19 CA GLN A 2 1.689 3.391 -2.218 1.00 64.31 C ATOM 20 C GLN A 2 0.407 4.177 -1.966 1.00 71.42 C ATOM 21 O GLN A 2 -0.073 4.897 -2.841 1.00 41.43 O ATOM 22 CB GLN A 2 2.902 4.314 -2.084 1.00 72.41 C ATOM 23 CG GLN A 2 3.083 5.255 -3.264 1.00 64.30 C ATOM 24 CD GLN A 2 4.263 6.191 -3.088 1.00 14.14 C ATOM 25 OE1 GLN A 2 4.290 7.007 -2.166 1.00 14.02 O ATOM 26 NE2 GLN A 2 5.246 6.078 -3.973 1.00 0.24 N ATOM 0 H GLN A 2 0.859 3.014 -4.107 1.00 11.35 H new ATOM 0 HA GLN A 2 1.760 2.599 -1.473 1.00 64.31 H new ATOM 0 HB2 GLN A 2 2.801 4.903 -1.172 1.00 72.41 H new ATOM 0 HB3 GLN A 2 3.800 3.706 -1.973 1.00 72.41 H new ATOM 0 HG2 GLN A 2 3.221 4.669 -4.173 1.00 64.30 H new ATOM 0 HG3 GLN A 2 2.175 5.843 -3.398 1.00 64.30 H new ATOM 0 HE21 GLN A 2 5.182 5.388 -4.721 1.00 0.24 H new ATOM 0 HE22 GLN A 2 6.066 6.681 -3.905 1.00 0.24 H new ATOM 35 N ARG A 3 -0.144 4.032 -0.765 1.00 45.11 N ATOM 36 CA ARG A 3 -1.371 4.727 -0.399 1.00 15.42 C ATOM 37 C ARG A 3 -1.719 4.482 1.067 1.00 62.14 C ATOM 38 O ARG A 3 -1.135 3.616 1.717 1.00 74.32 O ATOM 39 CB ARG A 3 -2.527 4.271 -1.291 1.00 60.33 C ATOM 40 CG ARG A 3 -3.660 5.280 -1.385 1.00 63.21 C ATOM 41 CD ARG A 3 -4.841 4.874 -0.518 1.00 70.50 C ATOM 42 NE ARG A 3 -5.983 4.437 -1.318 1.00 4.53 N ATOM 43 CZ ARG A 3 -7.198 4.244 -0.819 1.00 14.23 C ATOM 44 NH1 ARG A 3 -7.429 4.448 0.471 1.00 75.21 N ATOM 45 NH2 ARG A 3 -8.186 3.847 -1.610 1.00 74.14 N ATOM 0 H ARG A 3 0.241 3.439 -0.029 1.00 45.11 H new ATOM 0 HA ARG A 3 -1.209 5.795 -0.543 1.00 15.42 H new ATOM 0 HB2 ARG A 3 -2.145 4.072 -2.292 1.00 60.33 H new ATOM 0 HB3 ARG A 3 -2.921 3.330 -0.907 1.00 60.33 H new ATOM 0 HG2 ARG A 3 -3.301 6.262 -1.076 1.00 63.21 H new ATOM 0 HG3 ARG A 3 -3.983 5.371 -2.422 1.00 63.21 H new ATOM 0 HD2 ARG A 3 -4.539 4.069 0.152 1.00 70.50 H new ATOM 0 HD3 ARG A 3 -5.138 5.716 0.108 1.00 70.50 H new ATOM 0 HE ARG A 3 -5.839 4.271 -2.314 1.00 4.53 H new ATOM 0 HH11 ARG A 3 -6.672 4.754 1.082 1.00 75.21 H new ATOM 0 HH12 ARG A 3 -8.364 4.299 0.852 1.00 75.21 H new ATOM 0 HH21 ARG A 3 -8.013 3.690 -2.603 1.00 74.14 H new ATOM 0 HH22 ARG A 3 -9.119 3.699 -1.225 1.00 74.14 H new ATOM 59 N GLY A 4 -2.673 5.252 1.580 1.00 34.14 N ATOM 60 CA GLY A 4 -3.081 5.103 2.965 1.00 14.11 C ATOM 61 C GLY A 4 -3.570 6.405 3.569 1.00 73.24 C ATOM 62 O GLY A 4 -3.313 7.482 3.030 1.00 63.33 O ATOM 0 H GLY A 4 -3.171 5.976 1.062 1.00 34.14 H new ATOM 0 HA2 GLY A 4 -3.873 4.356 3.029 1.00 14.11 H new ATOM 0 HA3 GLY A 4 -2.241 4.728 3.550 1.00 14.11 H new ATOM 66 N ILE A 5 -4.279 6.307 4.689 1.00 65.35 N ATOM 67 CA ILE A 5 -4.805 7.486 5.365 1.00 61.24 C ATOM 68 C ILE A 5 -3.683 8.309 5.988 1.00 23.11 C ATOM 69 O ILE A 5 -2.735 7.761 6.551 1.00 60.41 O ATOM 70 CB ILE A 5 -5.815 7.102 6.462 1.00 71.41 C ATOM 71 CG1 ILE A 5 -6.907 6.198 5.886 1.00 34.02 C ATOM 72 CG2 ILE A 5 -6.425 8.350 7.081 1.00 1.31 C ATOM 73 CD1 ILE A 5 -7.974 5.823 6.892 1.00 43.44 C ATOM 0 H ILE A 5 -4.502 5.423 5.147 1.00 65.35 H new ATOM 0 HA ILE A 5 -5.313 8.083 4.608 1.00 61.24 H new ATOM 0 HB ILE A 5 -5.289 6.553 7.243 1.00 71.41 H new ATOM 0 HG12 ILE A 5 -7.377 6.702 5.041 1.00 34.02 H new ATOM 0 HG13 ILE A 5 -6.448 5.288 5.499 1.00 34.02 H new ATOM 0 HG21 ILE A 5 -7.137 8.062 7.855 1.00 1.31 H new ATOM 0 HG22 ILE A 5 -5.637 8.960 7.522 1.00 1.31 H new ATOM 0 HG23 ILE A 5 -6.939 8.924 6.310 1.00 1.31 H new ATOM 0 HD11 ILE A 5 -8.715 5.182 6.415 1.00 43.44 H new ATOM 0 HD12 ILE A 5 -7.517 5.291 7.726 1.00 43.44 H new ATOM 0 HD13 ILE A 5 -8.460 6.726 7.261 1.00 43.44 H new ATOM 85 N VAL A 6 -3.797 9.629 5.885 1.00 13.25 N ATOM 86 CA VAL A 6 -2.794 10.529 6.442 1.00 51.23 C ATOM 87 C VAL A 6 -3.426 11.528 7.405 1.00 25.11 C ATOM 88 O VAL A 6 -4.041 12.508 6.984 1.00 23.43 O ATOM 89 CB VAL A 6 -2.055 11.300 5.332 1.00 3.11 C ATOM 90 CG1 VAL A 6 -1.050 12.271 5.934 1.00 34.14 C ATOM 91 CG2 VAL A 6 -1.369 10.333 4.379 1.00 45.42 C ATOM 0 H VAL A 6 -4.574 10.099 5.421 1.00 13.25 H new ATOM 0 HA VAL A 6 -2.078 9.910 6.983 1.00 51.23 H new ATOM 0 HB VAL A 6 -2.786 11.876 4.765 1.00 3.11 H new ATOM 0 HG11 VAL A 6 -0.538 12.807 5.135 1.00 34.14 H new ATOM 0 HG12 VAL A 6 -1.571 12.984 6.573 1.00 34.14 H new ATOM 0 HG13 VAL A 6 -0.320 11.719 6.526 1.00 34.14 H new ATOM 0 HG21 VAL A 6 -0.852 10.894 3.601 1.00 45.42 H new ATOM 0 HG22 VAL A 6 -0.649 9.729 4.930 1.00 45.42 H new ATOM 0 HG23 VAL A 6 -2.114 9.682 3.922 1.00 45.42 H new ATOM 101 N TRP A 7 -3.269 11.273 8.699 1.00 43.10 N ATOM 102 CA TRP A 7 -3.824 12.151 9.723 1.00 24.23 C ATOM 103 C TRP A 7 -2.749 13.071 10.292 1.00 51.22 C ATOM 104 O TRP A 7 -1.716 12.610 10.777 1.00 32.14 O ATOM 105 CB TRP A 7 -4.451 11.324 10.847 1.00 52.31 C ATOM 106 CG TRP A 7 -5.769 10.717 10.472 1.00 31.33 C ATOM 107 CD1 TRP A 7 -6.376 10.766 9.250 1.00 34.10 C ATOM 108 CD2 TRP A 7 -6.643 9.970 11.327 1.00 45.42 C ATOM 109 NE1 TRP A 7 -7.575 10.095 9.293 1.00 1.13 N ATOM 110 CE2 TRP A 7 -7.761 9.597 10.556 1.00 42.22 C ATOM 111 CE3 TRP A 7 -6.588 9.579 12.667 1.00 1.42 C ATOM 112 CZ2 TRP A 7 -8.813 8.854 11.083 1.00 75.10 C ATOM 113 CZ3 TRP A 7 -7.634 8.842 13.189 1.00 24.10 C ATOM 114 CH2 TRP A 7 -8.734 8.485 12.398 1.00 22.32 C ATOM 0 H TRP A 7 -2.763 10.466 9.064 1.00 43.10 H new ATOM 0 HA TRP A 7 -4.595 12.767 9.260 1.00 24.23 H new ATOM 0 HB2 TRP A 7 -3.761 10.530 11.133 1.00 52.31 H new ATOM 0 HB3 TRP A 7 -4.587 11.958 11.723 1.00 52.31 H new ATOM 0 HD1 TRP A 7 -5.973 11.259 8.378 1.00 34.10 H new ATOM 0 HE1 TRP A 7 -8.221 9.986 8.512 1.00 1.13 H new ATOM 0 HE3 TRP A 7 -5.743 9.848 13.284 1.00 1.42 H new ATOM 0 HZ2 TRP A 7 -9.662 8.578 10.475 1.00 75.10 H new ATOM 0 HZ3 TRP A 7 -7.603 8.536 14.224 1.00 24.10 H new ATOM 0 HH2 TRP A 7 -9.535 7.907 12.835 1.00 22.32 H new ATOM 125 N VAL A 8 -2.999 14.375 10.229 1.00 42.35 N ATOM 126 CA VAL A 8 -2.053 15.360 10.739 1.00 43.45 C ATOM 127 C VAL A 8 -2.748 16.376 11.638 1.00 53.22 C ATOM 128 O VAL A 8 -3.524 17.209 11.168 1.00 22.02 O ATOM 129 CB VAL A 8 -1.346 16.106 9.591 1.00 2.22 C ATOM 130 CG1 VAL A 8 -0.400 17.162 10.143 1.00 25.51 C ATOM 131 CG2 VAL A 8 -0.601 15.126 8.698 1.00 74.42 C ATOM 0 H VAL A 8 -3.849 14.774 9.830 1.00 42.35 H new ATOM 0 HA VAL A 8 -1.310 14.814 11.320 1.00 43.45 H new ATOM 0 HB VAL A 8 -2.102 16.609 8.988 1.00 2.22 H new ATOM 0 HG11 VAL A 8 0.090 17.678 9.318 1.00 25.51 H new ATOM 0 HG12 VAL A 8 -0.964 17.881 10.737 1.00 25.51 H new ATOM 0 HG13 VAL A 8 0.353 16.684 10.770 1.00 25.51 H new ATOM 0 HG21 VAL A 8 -0.108 15.670 7.893 1.00 74.42 H new ATOM 0 HG22 VAL A 8 0.146 14.593 9.286 1.00 74.42 H new ATOM 0 HG23 VAL A 8 -1.306 14.411 8.274 1.00 74.42 H new ATOM 141 N VAL A 9 -2.465 16.302 12.935 1.00 53.05 N ATOM 142 CA VAL A 9 -3.062 17.216 13.901 1.00 54.12 C ATOM 143 C VAL A 9 -2.070 18.293 14.324 1.00 51.51 C ATOM 144 O VAL A 9 -1.051 18.002 14.950 1.00 61.11 O ATOM 145 CB VAL A 9 -3.554 16.466 15.153 1.00 12.31 C ATOM 146 CG1 VAL A 9 -2.398 15.750 15.835 1.00 14.43 C ATOM 147 CG2 VAL A 9 -4.239 17.427 16.114 1.00 60.41 C ATOM 0 H VAL A 9 -1.826 15.618 13.341 1.00 53.05 H new ATOM 0 HA VAL A 9 -3.914 17.685 13.409 1.00 54.12 H new ATOM 0 HB VAL A 9 -4.282 15.716 14.844 1.00 12.31 H new ATOM 0 HG11 VAL A 9 -2.765 15.226 16.717 1.00 14.43 H new ATOM 0 HG12 VAL A 9 -1.956 15.032 15.144 1.00 14.43 H new ATOM 0 HG13 VAL A 9 -1.644 16.478 16.133 1.00 14.43 H new ATOM 0 HG21 VAL A 9 -4.581 16.881 16.993 1.00 60.41 H new ATOM 0 HG22 VAL A 9 -3.534 18.201 16.419 1.00 60.41 H new ATOM 0 HG23 VAL A 9 -5.093 17.889 15.619 1.00 60.41 H new ATOM 157 N ASP A 10 -2.375 19.539 13.978 1.00 13.44 N ATOM 158 CA ASP A 10 -1.511 20.662 14.324 1.00 41.03 C ATOM 159 C ASP A 10 -2.276 21.980 14.251 1.00 74.40 C ATOM 160 O ASP A 10 -3.361 22.048 13.672 1.00 20.33 O ATOM 161 CB ASP A 10 -0.301 20.708 13.389 1.00 53.41 C ATOM 162 CG ASP A 10 0.737 21.718 13.836 1.00 43.44 C ATOM 163 OD1 ASP A 10 1.575 21.368 14.693 1.00 60.25 O ATOM 164 OD2 ASP A 10 0.712 22.860 13.329 1.00 72.20 O ATOM 0 H ASP A 10 -3.214 19.797 13.458 1.00 13.44 H new ATOM 0 HA ASP A 10 -1.165 20.520 15.348 1.00 41.03 H new ATOM 0 HB2 ASP A 10 0.155 19.719 13.341 1.00 53.41 H new ATOM 0 HB3 ASP A 10 -0.634 20.955 12.381 1.00 53.41 H new ATOM 169 N ASP A 11 -1.705 23.023 14.842 1.00 33.04 N ATOM 170 CA ASP A 11 -2.334 24.339 14.845 1.00 63.02 C ATOM 171 C ASP A 11 -1.584 25.301 13.928 1.00 75.44 C ATOM 172 O ASP A 11 -0.784 26.116 14.387 1.00 72.40 O ATOM 173 CB ASP A 11 -2.381 24.902 16.266 1.00 41.51 C ATOM 174 CG ASP A 11 -2.899 26.327 16.307 1.00 21.31 C ATOM 175 OD1 ASP A 11 -3.866 26.627 15.576 1.00 4.23 O ATOM 176 OD2 ASP A 11 -2.337 27.141 17.069 1.00 10.05 O ATOM 0 H ASP A 11 -0.808 22.983 15.325 1.00 33.04 H new ATOM 0 HA ASP A 11 -3.352 24.229 14.472 1.00 63.02 H new ATOM 0 HB2 ASP A 11 -3.018 24.269 16.884 1.00 41.51 H new ATOM 0 HB3 ASP A 11 -1.382 24.869 16.700 1.00 41.51 H new ATOM 181 N ASP A 12 -1.849 25.199 12.630 1.00 63.22 N ATOM 182 CA ASP A 12 -1.200 26.059 11.648 1.00 43.45 C ATOM 183 C ASP A 12 -1.774 25.823 10.254 1.00 13.32 C ATOM 184 O ASP A 12 -1.935 24.681 9.823 1.00 4.53 O ATOM 185 CB ASP A 12 0.310 25.812 11.639 1.00 34.40 C ATOM 186 CG ASP A 12 1.104 27.083 11.414 1.00 52.20 C ATOM 187 OD1 ASP A 12 1.259 27.863 12.376 1.00 12.53 O ATOM 188 OD2 ASP A 12 1.570 27.299 10.275 1.00 34.52 O ATOM 0 H ASP A 12 -2.509 24.529 12.234 1.00 63.22 H new ATOM 0 HA ASP A 12 -1.389 27.095 11.929 1.00 43.45 H new ATOM 0 HB2 ASP A 12 0.607 25.365 12.587 1.00 34.40 H new ATOM 0 HB3 ASP A 12 0.553 25.092 10.857 1.00 34.40 H new ATOM 193 N SER A 13 -2.083 26.911 9.555 1.00 34.31 N ATOM 194 CA SER A 13 -2.645 26.822 8.212 1.00 0.13 C ATOM 195 C SER A 13 -1.561 26.494 7.190 1.00 4.15 C ATOM 196 O SER A 13 -1.833 25.896 6.150 1.00 72.40 O ATOM 197 CB SER A 13 -3.335 28.135 7.837 1.00 4.33 C ATOM 198 OG SER A 13 -2.931 29.187 8.698 1.00 74.24 O ATOM 0 H SER A 13 -1.954 27.864 9.896 1.00 34.31 H new ATOM 0 HA SER A 13 -3.381 26.018 8.205 1.00 0.13 H new ATOM 0 HB2 SER A 13 -3.097 28.393 6.805 1.00 4.33 H new ATOM 0 HB3 SER A 13 -4.416 28.010 7.893 1.00 4.33 H new ATOM 0 HG SER A 13 -3.384 30.016 8.437 1.00 74.24 H new ATOM 204 N SER A 14 -0.329 26.891 7.496 1.00 73.13 N ATOM 205 CA SER A 14 0.797 26.643 6.603 1.00 10.31 C ATOM 206 C SER A 14 1.075 25.148 6.481 1.00 54.13 C ATOM 207 O SER A 14 1.012 24.582 5.389 1.00 31.41 O ATOM 208 CB SER A 14 2.046 27.366 7.111 1.00 22.44 C ATOM 209 OG SER A 14 2.871 27.777 6.035 1.00 54.51 O ATOM 0 H SER A 14 -0.086 27.385 8.355 1.00 73.13 H new ATOM 0 HA SER A 14 0.539 27.028 5.617 1.00 10.31 H new ATOM 0 HB2 SER A 14 1.753 28.235 7.701 1.00 22.44 H new ATOM 0 HB3 SER A 14 2.608 26.707 7.773 1.00 22.44 H new ATOM 0 HG SER A 14 3.661 28.238 6.386 1.00 54.51 H new ATOM 215 N ILE A 15 1.381 24.516 7.608 1.00 24.41 N ATOM 216 CA ILE A 15 1.668 23.087 7.628 1.00 34.51 C ATOM 217 C ILE A 15 0.487 22.282 7.094 1.00 24.03 C ATOM 218 O ILE A 15 0.665 21.211 6.514 1.00 30.20 O ATOM 219 CB ILE A 15 2.005 22.600 9.050 1.00 61.22 C ATOM 220 CG1 ILE A 15 3.032 23.529 9.700 1.00 10.12 C ATOM 221 CG2 ILE A 15 2.526 21.171 9.011 1.00 72.22 C ATOM 222 CD1 ILE A 15 4.270 23.745 8.859 1.00 63.34 C ATOM 0 H ILE A 15 1.437 24.970 8.519 1.00 24.41 H new ATOM 0 HA ILE A 15 2.533 22.930 6.984 1.00 34.51 H new ATOM 0 HB ILE A 15 1.095 22.618 9.650 1.00 61.22 H new ATOM 0 HG12 ILE A 15 2.564 24.493 9.897 1.00 10.12 H new ATOM 0 HG13 ILE A 15 3.326 23.114 10.664 1.00 10.12 H new ATOM 0 HG21 ILE A 15 2.760 20.841 10.023 1.00 72.22 H new ATOM 0 HG22 ILE A 15 1.765 20.518 8.583 1.00 72.22 H new ATOM 0 HG23 ILE A 15 3.427 21.129 8.399 1.00 72.22 H new ATOM 0 HD11 ILE A 15 4.953 24.414 9.382 1.00 63.34 H new ATOM 0 HD12 ILE A 15 4.762 22.788 8.683 1.00 63.34 H new ATOM 0 HD13 ILE A 15 3.988 24.189 7.904 1.00 63.34 H new ATOM 234 N ARG A 16 -0.717 22.806 7.293 1.00 55.51 N ATOM 235 CA ARG A 16 -1.928 22.137 6.831 1.00 44.51 C ATOM 236 C ARG A 16 -2.080 22.273 5.319 1.00 61.44 C ATOM 237 O ARG A 16 -2.568 21.361 4.650 1.00 3.13 O ATOM 238 CB ARG A 16 -3.157 22.719 7.532 1.00 63.10 C ATOM 239 CG ARG A 16 -3.301 22.272 8.978 1.00 55.34 C ATOM 240 CD ARG A 16 -4.330 21.161 9.117 1.00 63.41 C ATOM 241 NE ARG A 16 -5.411 21.526 10.028 1.00 50.11 N ATOM 242 CZ ARG A 16 -6.445 22.282 9.676 1.00 44.54 C ATOM 243 NH1 ARG A 16 -6.537 22.750 8.439 1.00 42.54 N ATOM 244 NH2 ARG A 16 -7.389 22.572 10.562 1.00 71.34 N ATOM 0 H ARG A 16 -0.881 23.692 7.771 1.00 55.51 H new ATOM 0 HA ARG A 16 -1.845 21.078 7.077 1.00 44.51 H new ATOM 0 HB2 ARG A 16 -3.102 23.807 7.501 1.00 63.10 H new ATOM 0 HB3 ARG A 16 -4.051 22.429 6.980 1.00 63.10 H new ATOM 0 HG2 ARG A 16 -2.337 21.926 9.351 1.00 55.34 H new ATOM 0 HG3 ARG A 16 -3.595 23.121 9.595 1.00 55.34 H new ATOM 0 HD2 ARG A 16 -4.746 20.927 8.137 1.00 63.41 H new ATOM 0 HD3 ARG A 16 -3.840 20.257 9.479 1.00 63.41 H new ATOM 0 HE ARG A 16 -5.370 21.182 10.987 1.00 50.11 H new ATOM 0 HH11 ARG A 16 -5.813 22.530 7.755 1.00 42.54 H new ATOM 0 HH12 ARG A 16 -7.332 23.330 8.171 1.00 42.54 H new ATOM 0 HH21 ARG A 16 -7.321 22.214 11.515 1.00 71.34 H new ATOM 0 HH22 ARG A 16 -8.182 23.153 10.290 1.00 71.34 H new ATOM 258 N TRP A 17 -1.660 23.415 4.787 1.00 72.20 N ATOM 259 CA TRP A 17 -1.751 23.669 3.354 1.00 44.24 C ATOM 260 C TRP A 17 -0.740 22.824 2.586 1.00 2.40 C ATOM 261 O TRP A 17 -1.109 22.032 1.720 1.00 73.43 O ATOM 262 CB TRP A 17 -1.519 25.153 3.063 1.00 74.03 C ATOM 263 CG TRP A 17 -1.201 25.434 1.625 1.00 23.33 C ATOM 264 CD1 TRP A 17 -2.077 25.440 0.578 1.00 41.33 C ATOM 265 CD2 TRP A 17 0.085 25.747 1.078 1.00 73.31 C ATOM 266 NE1 TRP A 17 -1.413 25.738 -0.588 1.00 55.41 N ATOM 267 CE2 TRP A 17 -0.087 25.932 -0.308 1.00 64.41 C ATOM 268 CE3 TRP A 17 1.363 25.891 1.624 1.00 60.35 C ATOM 269 CZ2 TRP A 17 0.973 26.251 -1.153 1.00 1.44 C ATOM 270 CZ3 TRP A 17 2.414 26.208 0.784 1.00 72.11 C ATOM 271 CH2 TRP A 17 2.214 26.386 -0.591 1.00 51.24 C ATOM 0 H TRP A 17 -1.253 24.179 5.326 1.00 72.20 H new ATOM 0 HA TRP A 17 -2.752 23.393 3.024 1.00 44.24 H new ATOM 0 HB2 TRP A 17 -2.409 25.715 3.347 1.00 74.03 H new ATOM 0 HB3 TRP A 17 -0.701 25.514 3.686 1.00 74.03 H new ATOM 0 HD1 TRP A 17 -3.136 25.240 0.655 1.00 41.33 H new ATOM 0 HE1 TRP A 17 -1.839 25.804 -1.512 1.00 55.41 H new ATOM 0 HE3 TRP A 17 1.527 25.757 2.683 1.00 60.35 H new ATOM 0 HZ2 TRP A 17 0.821 26.387 -2.214 1.00 1.44 H new ATOM 0 HZ3 TRP A 17 3.406 26.320 1.195 1.00 72.11 H new ATOM 0 HH2 TRP A 17 3.056 26.635 -1.220 1.00 51.24 H new ATOM 282 N VAL A 18 0.538 22.999 2.909 1.00 32.33 N ATOM 283 CA VAL A 18 1.602 22.251 2.251 1.00 71.25 C ATOM 284 C VAL A 18 1.292 20.758 2.227 1.00 14.43 C ATOM 285 O VAL A 18 1.600 20.064 1.258 1.00 61.21 O ATOM 286 CB VAL A 18 2.958 22.471 2.948 1.00 55.43 C ATOM 287 CG1 VAL A 18 3.571 23.795 2.516 1.00 22.51 C ATOM 288 CG2 VAL A 18 2.794 22.418 4.459 1.00 14.12 C ATOM 0 H VAL A 18 0.861 23.652 3.622 1.00 32.33 H new ATOM 0 HA VAL A 18 1.663 22.623 1.228 1.00 71.25 H new ATOM 0 HB VAL A 18 3.635 21.670 2.651 1.00 55.43 H new ATOM 0 HG11 VAL A 18 4.528 23.934 3.018 1.00 22.51 H new ATOM 0 HG12 VAL A 18 3.725 23.790 1.437 1.00 22.51 H new ATOM 0 HG13 VAL A 18 2.900 24.611 2.783 1.00 22.51 H new ATOM 0 HG21 VAL A 18 3.762 22.575 4.936 1.00 14.12 H new ATOM 0 HG22 VAL A 18 2.102 23.197 4.777 1.00 14.12 H new ATOM 0 HG23 VAL A 18 2.401 21.443 4.748 1.00 14.12 H new ATOM 298 N LEU A 19 0.679 20.271 3.300 1.00 30.53 N ATOM 299 CA LEU A 19 0.325 18.859 3.404 1.00 44.02 C ATOM 300 C LEU A 19 -0.798 18.507 2.435 1.00 74.35 C ATOM 301 O LEU A 19 -0.665 17.593 1.621 1.00 42.42 O ATOM 302 CB LEU A 19 -0.096 18.522 4.835 1.00 10.22 C ATOM 303 CG LEU A 19 0.987 17.916 5.729 1.00 73.35 C ATOM 304 CD1 LEU A 19 0.486 17.782 7.158 1.00 32.52 C ATOM 305 CD2 LEU A 19 1.429 16.564 5.187 1.00 21.14 C ATOM 0 H LEU A 19 0.417 20.832 4.110 1.00 30.53 H new ATOM 0 HA LEU A 19 1.204 18.269 3.143 1.00 44.02 H new ATOM 0 HB2 LEU A 19 -0.462 19.433 5.309 1.00 10.22 H new ATOM 0 HB3 LEU A 19 -0.934 17.826 4.791 1.00 10.22 H new ATOM 0 HG LEU A 19 1.848 18.584 5.730 1.00 73.35 H new ATOM 0 HD11 LEU A 19 1.270 17.349 7.779 1.00 32.52 H new ATOM 0 HD12 LEU A 19 0.219 18.766 7.544 1.00 32.52 H new ATOM 0 HD13 LEU A 19 -0.391 17.135 7.177 1.00 32.52 H new ATOM 0 HD21 LEU A 19 2.200 16.147 5.835 1.00 21.14 H new ATOM 0 HD22 LEU A 19 0.575 15.887 5.157 1.00 21.14 H new ATOM 0 HD23 LEU A 19 1.829 16.689 4.181 1.00 21.14 H new ATOM 317 N GLU A 20 -1.904 19.239 2.527 1.00 72.10 N ATOM 318 CA GLU A 20 -3.050 19.004 1.657 1.00 73.33 C ATOM 319 C GLU A 20 -2.624 18.977 0.192 1.00 74.15 C ATOM 320 O GLU A 20 -2.937 18.037 -0.540 1.00 13.14 O ATOM 321 CB GLU A 20 -4.112 20.085 1.871 1.00 62.31 C ATOM 322 CG GLU A 20 -5.243 20.036 0.857 1.00 2.53 C ATOM 323 CD GLU A 20 -6.318 21.070 1.133 1.00 24.10 C ATOM 324 OE1 GLU A 20 -7.074 20.892 2.111 1.00 73.45 O ATOM 325 OE2 GLU A 20 -6.402 22.056 0.372 1.00 55.11 O ATOM 0 H GLU A 20 -2.030 19.999 3.195 1.00 72.10 H new ATOM 0 HA GLU A 20 -3.474 18.033 1.912 1.00 73.33 H new ATOM 0 HB2 GLU A 20 -4.529 19.980 2.873 1.00 62.31 H new ATOM 0 HB3 GLU A 20 -3.636 21.064 1.825 1.00 62.31 H new ATOM 0 HG2 GLU A 20 -4.838 20.196 -0.142 1.00 2.53 H new ATOM 0 HG3 GLU A 20 -5.690 19.042 0.864 1.00 2.53 H new ATOM 332 N ARG A 21 -1.910 20.015 -0.230 1.00 25.12 N ATOM 333 CA ARG A 21 -1.442 20.112 -1.607 1.00 71.04 C ATOM 334 C ARG A 21 -0.549 18.927 -1.963 1.00 70.02 C ATOM 335 O ARG A 21 -0.352 18.616 -3.137 1.00 74.15 O ATOM 336 CB ARG A 21 -0.679 21.421 -1.818 1.00 61.14 C ATOM 337 CG ARG A 21 0.642 21.483 -1.070 1.00 25.02 C ATOM 338 CD ARG A 21 1.488 22.661 -1.528 1.00 54.12 C ATOM 339 NE ARG A 21 2.898 22.305 -1.661 1.00 34.43 N ATOM 340 CZ ARG A 21 3.804 23.091 -2.231 1.00 71.52 C ATOM 341 NH1 ARG A 21 3.449 24.271 -2.719 1.00 44.30 N ATOM 342 NH2 ARG A 21 5.068 22.696 -2.314 1.00 61.11 N ATOM 0 H ARG A 21 -1.643 20.801 0.362 1.00 25.12 H new ATOM 0 HA ARG A 21 -2.313 20.098 -2.262 1.00 71.04 H new ATOM 0 HB2 ARG A 21 -0.490 21.554 -2.883 1.00 61.14 H new ATOM 0 HB3 ARG A 21 -1.307 22.253 -1.499 1.00 61.14 H new ATOM 0 HG2 ARG A 21 0.452 21.565 0.000 1.00 25.02 H new ATOM 0 HG3 ARG A 21 1.193 20.556 -1.226 1.00 25.02 H new ATOM 0 HD2 ARG A 21 1.114 23.025 -2.485 1.00 54.12 H new ATOM 0 HD3 ARG A 21 1.387 23.479 -0.815 1.00 54.12 H new ATOM 0 HE ARG A 21 3.204 21.403 -1.296 1.00 34.43 H new ATOM 0 HH11 ARG A 21 2.478 24.577 -2.657 1.00 44.30 H new ATOM 0 HH12 ARG A 21 4.147 24.873 -3.156 1.00 44.30 H new ATOM 0 HH21 ARG A 21 5.344 21.788 -1.940 1.00 61.11 H new ATOM 0 HH22 ARG A 21 5.763 23.300 -2.752 1.00 61.11 H new ATOM 356 N ALA A 22 -0.011 18.270 -0.941 1.00 2.32 N ATOM 357 CA ALA A 22 0.860 17.119 -1.145 1.00 52.25 C ATOM 358 C ALA A 22 0.050 15.832 -1.263 1.00 10.51 C ATOM 359 O ALA A 22 0.155 15.109 -2.254 1.00 60.12 O ATOM 360 CB ALA A 22 1.866 17.010 -0.010 1.00 1.05 C ATOM 0 H ALA A 22 -0.163 18.515 0.037 1.00 2.32 H new ATOM 0 HA ALA A 22 1.400 17.265 -2.081 1.00 52.25 H new ATOM 0 HB1 ALA A 22 2.510 16.146 -0.176 1.00 1.05 H new ATOM 0 HB2 ALA A 22 2.474 17.914 0.025 1.00 1.05 H new ATOM 0 HB3 ALA A 22 1.337 16.892 0.935 1.00 1.05 H new ATOM 366 N LEU A 23 -0.757 15.552 -0.246 1.00 10.13 N ATOM 367 CA LEU A 23 -1.585 14.351 -0.234 1.00 50.05 C ATOM 368 C LEU A 23 -2.614 14.389 -1.360 1.00 32.43 C ATOM 369 O LEU A 23 -2.724 13.448 -2.145 1.00 74.31 O ATOM 370 CB LEU A 23 -2.292 14.208 1.114 1.00 32.23 C ATOM 371 CG LEU A 23 -1.433 14.465 2.353 1.00 34.21 C ATOM 372 CD1 LEU A 23 -2.277 14.373 3.615 1.00 5.35 C ATOM 373 CD2 LEU A 23 -0.274 13.481 2.412 1.00 61.05 C ATOM 0 H LEU A 23 -0.856 16.140 0.581 1.00 10.13 H new ATOM 0 HA LEU A 23 -0.935 13.490 -0.389 1.00 50.05 H new ATOM 0 HB2 LEU A 23 -3.137 14.896 1.133 1.00 32.23 H new ATOM 0 HB3 LEU A 23 -2.700 13.200 1.182 1.00 32.23 H new ATOM 0 HG LEU A 23 -1.024 15.473 2.286 1.00 34.21 H new ATOM 0 HD11 LEU A 23 -1.649 14.559 4.487 1.00 5.35 H new ATOM 0 HD12 LEU A 23 -3.073 15.117 3.576 1.00 5.35 H new ATOM 0 HD13 LEU A 23 -2.715 13.377 3.688 1.00 5.35 H new ATOM 0 HD21 LEU A 23 0.326 13.679 3.300 1.00 61.05 H new ATOM 0 HD22 LEU A 23 -0.662 12.464 2.456 1.00 61.05 H new ATOM 0 HD23 LEU A 23 0.346 13.595 1.522 1.00 61.05 H new ATOM 385 N ALA A 24 -3.364 15.483 -1.432 1.00 53.32 N ATOM 386 CA ALA A 24 -4.381 15.646 -2.464 1.00 33.43 C ATOM 387 C ALA A 24 -3.775 15.521 -3.857 1.00 45.52 C ATOM 388 O ALA A 24 -4.473 15.223 -4.825 1.00 13.42 O ATOM 389 CB ALA A 24 -5.081 16.988 -2.308 1.00 73.53 C ATOM 0 H ALA A 24 -3.287 16.270 -0.788 1.00 53.32 H new ATOM 0 HA ALA A 24 -5.116 14.850 -2.344 1.00 33.43 H new ATOM 0 HB1 ALA A 24 -5.838 17.096 -3.085 1.00 73.53 H new ATOM 0 HB2 ALA A 24 -5.557 17.039 -1.329 1.00 73.53 H new ATOM 0 HB3 ALA A 24 -4.351 17.792 -2.398 1.00 73.53 H new ATOM 395 N GLY A 25 -2.469 15.753 -3.952 1.00 4.10 N ATOM 396 CA GLY A 25 -1.790 15.663 -5.232 1.00 12.13 C ATOM 397 C GLY A 25 -1.343 14.251 -5.553 1.00 22.23 C ATOM 398 O GLY A 25 -1.588 13.749 -6.649 1.00 44.23 O ATOM 0 H GLY A 25 -1.869 16.002 -3.165 1.00 4.10 H new ATOM 0 HA2 GLY A 25 -2.456 16.018 -6.019 1.00 12.13 H new ATOM 0 HA3 GLY A 25 -0.923 16.323 -5.227 1.00 12.13 H new ATOM 402 N ALA A 26 -0.683 13.608 -4.594 1.00 55.41 N ATOM 403 CA ALA A 26 -0.201 12.246 -4.780 1.00 70.41 C ATOM 404 C ALA A 26 -1.353 11.247 -4.752 1.00 70.15 C ATOM 405 O ALA A 26 -1.223 10.121 -5.231 1.00 21.24 O ATOM 406 CB ALA A 26 0.826 11.899 -3.713 1.00 2.04 C ATOM 0 H ALA A 26 -0.470 14.010 -3.681 1.00 55.41 H new ATOM 0 HA ALA A 26 0.274 12.186 -5.759 1.00 70.41 H new ATOM 0 HB1 ALA A 26 1.177 10.878 -3.864 1.00 2.04 H new ATOM 0 HB2 ALA A 26 1.669 12.587 -3.782 1.00 2.04 H new ATOM 0 HB3 ALA A 26 0.369 11.983 -2.727 1.00 2.04 H new ATOM 412 N GLY A 27 -2.481 11.667 -4.188 1.00 55.24 N ATOM 413 CA GLY A 27 -3.640 10.797 -4.108 1.00 62.43 C ATOM 414 C GLY A 27 -3.909 10.319 -2.695 1.00 75.02 C ATOM 415 O GLY A 27 -4.907 9.643 -2.440 1.00 62.30 O ATOM 0 H GLY A 27 -2.613 12.595 -3.785 1.00 55.24 H new ATOM 0 HA2 GLY A 27 -4.516 11.328 -4.482 1.00 62.43 H new ATOM 0 HA3 GLY A 27 -3.489 9.935 -4.757 1.00 62.43 H new ATOM 419 N LEU A 28 -3.019 10.669 -1.774 1.00 44.21 N ATOM 420 CA LEU A 28 -3.164 10.270 -0.378 1.00 52.43 C ATOM 421 C LEU A 28 -4.293 11.045 0.294 1.00 3.25 C ATOM 422 O LEU A 28 -4.487 12.233 0.034 1.00 73.04 O ATOM 423 CB LEU A 28 -1.853 10.497 0.377 1.00 54.52 C ATOM 424 CG LEU A 28 -0.580 10.047 -0.339 1.00 44.23 C ATOM 425 CD1 LEU A 28 0.648 10.654 0.323 1.00 72.32 C ATOM 426 CD2 LEU A 28 -0.484 8.529 -0.354 1.00 34.51 C ATOM 0 H LEU A 28 -2.189 11.229 -1.968 1.00 44.21 H new ATOM 0 HA LEU A 28 -3.411 9.209 -0.352 1.00 52.43 H new ATOM 0 HB2 LEU A 28 -1.764 11.560 0.599 1.00 54.52 H new ATOM 0 HB3 LEU A 28 -1.912 9.976 1.332 1.00 54.52 H new ATOM 0 HG LEU A 28 -0.623 10.398 -1.370 1.00 44.23 H new ATOM 0 HD11 LEU A 28 1.545 10.322 -0.200 1.00 72.32 H new ATOM 0 HD12 LEU A 28 0.584 11.741 0.281 1.00 72.32 H new ATOM 0 HD13 LEU A 28 0.696 10.334 1.364 1.00 72.32 H new ATOM 0 HD21 LEU A 28 0.429 8.227 -0.868 1.00 34.51 H new ATOM 0 HD22 LEU A 28 -0.464 8.156 0.670 1.00 34.51 H new ATOM 0 HD23 LEU A 28 -1.347 8.115 -0.875 1.00 34.51 H new ATOM 438 N THR A 29 -5.034 10.366 1.164 1.00 22.33 N ATOM 439 CA THR A 29 -6.142 10.990 1.876 1.00 71.32 C ATOM 440 C THR A 29 -5.642 12.047 2.853 1.00 11.40 C ATOM 441 O THR A 29 -4.786 11.773 3.695 1.00 42.23 O ATOM 442 CB THR A 29 -6.973 9.947 2.647 1.00 72.23 C ATOM 443 OG1 THR A 29 -7.526 8.990 1.736 1.00 44.14 O ATOM 444 CG2 THR A 29 -8.094 10.617 3.427 1.00 3.30 C ATOM 0 H THR A 29 -4.886 9.383 1.393 1.00 22.33 H new ATOM 0 HA THR A 29 -6.774 11.464 1.124 1.00 71.32 H new ATOM 0 HB THR A 29 -6.314 9.439 3.351 1.00 72.23 H new ATOM 0 HG1 THR A 29 -8.051 8.330 2.234 1.00 44.14 H new ATOM 0 HG21 THR A 29 -8.667 9.860 3.963 1.00 3.30 H new ATOM 0 HG22 THR A 29 -7.669 11.324 4.140 1.00 3.30 H new ATOM 0 HG23 THR A 29 -8.750 11.148 2.737 1.00 3.30 H new ATOM 452 N CYS A 30 -6.182 13.256 2.737 1.00 63.43 N ATOM 453 CA CYS A 30 -5.790 14.355 3.611 1.00 44.50 C ATOM 454 C CYS A 30 -6.854 14.612 4.673 1.00 61.21 C ATOM 455 O CYS A 30 -8.007 14.907 4.355 1.00 64.43 O ATOM 456 CB CYS A 30 -5.552 15.625 2.792 1.00 13.44 C ATOM 457 SG CYS A 30 -5.302 17.112 3.791 1.00 20.54 S ATOM 0 H CYS A 30 -6.892 13.499 2.046 1.00 63.43 H new ATOM 0 HA CYS A 30 -4.863 14.075 4.112 1.00 44.50 H new ATOM 0 HB2 CYS A 30 -4.679 15.476 2.156 1.00 13.44 H new ATOM 0 HB3 CYS A 30 -6.404 15.783 2.131 1.00 13.44 H new ATOM 0 HG CYS A 30 -5.728 18.151 3.136 1.00 20.54 H new ATOM 463 N THR A 31 -6.461 14.496 5.938 1.00 43.14 N ATOM 464 CA THR A 31 -7.381 14.712 7.047 1.00 41.31 C ATOM 465 C THR A 31 -6.679 15.386 8.220 1.00 22.14 C ATOM 466 O THR A 31 -5.603 14.960 8.642 1.00 31.42 O ATOM 467 CB THR A 31 -8.003 13.387 7.527 1.00 2.43 C ATOM 468 OG1 THR A 31 -8.762 12.791 6.470 1.00 32.01 O ATOM 469 CG2 THR A 31 -8.899 13.617 8.735 1.00 23.22 C ATOM 0 H THR A 31 -5.511 14.254 6.219 1.00 43.14 H new ATOM 0 HA THR A 31 -8.173 15.364 6.679 1.00 41.31 H new ATOM 0 HB THR A 31 -7.195 12.715 7.816 1.00 2.43 H new ATOM 0 HG1 THR A 31 -9.153 11.948 6.783 1.00 32.01 H new ATOM 0 HG21 THR A 31 -9.327 12.668 9.056 1.00 23.22 H new ATOM 0 HG22 THR A 31 -8.311 14.044 9.548 1.00 23.22 H new ATOM 0 HG23 THR A 31 -9.701 14.305 8.467 1.00 23.22 H new ATOM 477 N THR A 32 -7.294 16.441 8.746 1.00 60.12 N ATOM 478 CA THR A 32 -6.728 17.174 9.871 1.00 64.01 C ATOM 479 C THR A 32 -7.817 17.630 10.835 1.00 72.24 C ATOM 480 O THR A 32 -9.003 17.391 10.605 1.00 41.24 O ATOM 481 CB THR A 32 -5.931 18.404 9.396 1.00 24.32 C ATOM 482 OG1 THR A 32 -6.827 19.417 8.928 1.00 40.42 O ATOM 483 CG2 THR A 32 -4.961 18.025 8.287 1.00 71.12 C ATOM 0 H THR A 32 -8.185 16.807 8.410 1.00 60.12 H new ATOM 0 HA THR A 32 -6.054 16.490 10.386 1.00 64.01 H new ATOM 0 HB THR A 32 -5.359 18.788 10.241 1.00 24.32 H new ATOM 0 HG1 THR A 32 -6.635 19.615 7.988 1.00 40.42 H new ATOM 0 HG21 THR A 32 -4.410 18.909 7.968 1.00 71.12 H new ATOM 0 HG22 THR A 32 -4.262 17.275 8.656 1.00 71.12 H new ATOM 0 HG23 THR A 32 -5.516 17.619 7.441 1.00 71.12 H new ATOM 491 N PHE A 33 -7.408 18.288 11.914 1.00 32.34 N ATOM 492 CA PHE A 33 -8.351 18.777 12.914 1.00 45.21 C ATOM 493 C PHE A 33 -7.805 20.019 13.614 1.00 61.52 C ATOM 494 O PHE A 33 -8.179 21.144 13.284 1.00 22.44 O ATOM 495 CB PHE A 33 -8.647 17.686 13.944 1.00 25.43 C ATOM 496 CG PHE A 33 -9.176 16.417 13.339 1.00 43.14 C ATOM 497 CD1 PHE A 33 -10.534 16.251 13.122 1.00 51.54 C ATOM 498 CD2 PHE A 33 -8.315 15.390 12.987 1.00 42.13 C ATOM 499 CE1 PHE A 33 -11.024 15.086 12.564 1.00 74.40 C ATOM 500 CE2 PHE A 33 -8.799 14.222 12.428 1.00 12.34 C ATOM 501 CZ PHE A 33 -10.156 14.069 12.218 1.00 43.30 C ATOM 0 H PHE A 33 -6.431 18.495 12.119 1.00 32.34 H new ATOM 0 HA PHE A 33 -9.276 19.045 12.404 1.00 45.21 H new ATOM 0 HB2 PHE A 33 -7.735 17.463 14.497 1.00 25.43 H new ATOM 0 HB3 PHE A 33 -9.372 18.065 14.665 1.00 25.43 H new ATOM 0 HD1 PHE A 33 -11.218 17.042 13.392 1.00 51.54 H new ATOM 0 HD2 PHE A 33 -7.254 15.503 13.151 1.00 42.13 H new ATOM 0 HE1 PHE A 33 -12.085 14.971 12.398 1.00 74.40 H new ATOM 0 HE2 PHE A 33 -8.117 13.430 12.156 1.00 12.34 H new ATOM 0 HZ PHE A 33 -10.537 13.156 11.784 1.00 43.30 H new ATOM 511 N GLU A 34 -6.919 19.804 14.582 1.00 72.34 N ATOM 512 CA GLU A 34 -6.323 20.905 15.329 1.00 33.10 C ATOM 513 C GLU A 34 -5.472 20.382 16.482 1.00 23.12 C ATOM 514 O GLU A 34 -4.264 20.609 16.528 1.00 4.33 O ATOM 515 CB GLU A 34 -7.413 21.835 15.866 1.00 33.33 C ATOM 516 CG GLU A 34 -7.405 23.214 15.229 1.00 12.12 C ATOM 517 CD GLU A 34 -7.245 24.326 16.248 1.00 42.14 C ATOM 518 OE1 GLU A 34 -6.267 24.285 17.023 1.00 62.12 O ATOM 519 OE2 GLU A 34 -8.098 25.238 16.269 1.00 70.13 O ATOM 0 H GLU A 34 -6.599 18.878 14.867 1.00 72.34 H new ATOM 0 HA GLU A 34 -5.680 21.465 14.650 1.00 33.10 H new ATOM 0 HB2 GLU A 34 -8.386 21.373 15.701 1.00 33.33 H new ATOM 0 HB3 GLU A 34 -7.290 21.941 16.944 1.00 33.33 H new ATOM 0 HG2 GLU A 34 -6.593 23.271 14.504 1.00 12.12 H new ATOM 0 HG3 GLU A 34 -8.334 23.361 14.679 1.00 12.12 H new ATOM 526 N ASN A 35 -6.112 19.680 17.412 1.00 41.21 N ATOM 527 CA ASN A 35 -5.414 19.125 18.566 1.00 12.42 C ATOM 528 C ASN A 35 -5.752 17.649 18.748 1.00 32.21 C ATOM 529 O ASN A 35 -6.750 17.160 18.219 1.00 24.25 O ATOM 530 CB ASN A 35 -5.780 19.904 19.832 1.00 61.42 C ATOM 531 CG ASN A 35 -5.717 21.405 19.626 1.00 21.30 C ATOM 532 OD1 ASN A 35 -4.809 21.915 18.970 1.00 61.13 O ATOM 533 ND2 ASN A 35 -6.684 22.120 20.188 1.00 34.11 N ATOM 0 H ASN A 35 -7.112 19.482 17.389 1.00 41.21 H new ATOM 0 HA ASN A 35 -4.342 19.214 18.389 1.00 12.42 H new ATOM 0 HB2 ASN A 35 -6.785 19.625 20.149 1.00 61.42 H new ATOM 0 HB3 ASN A 35 -5.102 19.622 20.638 1.00 61.42 H new ATOM 0 HD21 ASN A 35 -6.694 23.135 20.084 1.00 34.11 H new ATOM 0 HD22 ASN A 35 -7.417 21.655 20.723 1.00 34.11 H new ATOM 540 N GLY A 36 -4.913 16.944 19.501 1.00 33.51 N ATOM 541 CA GLY A 36 -5.140 15.530 19.740 1.00 13.21 C ATOM 542 C GLY A 36 -6.556 15.240 20.197 1.00 30.43 C ATOM 543 O GLY A 36 -7.087 14.158 19.947 1.00 44.44 O ATOM 0 H GLY A 36 -4.081 17.326 19.950 1.00 33.51 H new ATOM 0 HA2 GLY A 36 -4.935 14.973 18.826 1.00 13.21 H new ATOM 0 HA3 GLY A 36 -4.438 15.175 20.494 1.00 13.21 H new ATOM 547 N ASN A 37 -7.169 16.207 20.872 1.00 42.22 N ATOM 548 CA ASN A 37 -8.531 16.049 21.367 1.00 32.34 C ATOM 549 C ASN A 37 -9.476 15.644 20.240 1.00 15.03 C ATOM 550 O ASN A 37 -10.200 14.655 20.350 1.00 55.22 O ATOM 551 CB ASN A 37 -9.016 17.349 22.012 1.00 22.35 C ATOM 552 CG ASN A 37 -10.523 17.387 22.174 1.00 12.01 C ATOM 553 OD1 ASN A 37 -11.182 18.329 21.734 1.00 11.31 O ATOM 554 ND2 ASN A 37 -11.076 16.360 22.808 1.00 33.24 N ATOM 0 H ASN A 37 -6.744 17.108 21.089 1.00 42.22 H new ATOM 0 HA ASN A 37 -8.529 15.258 22.117 1.00 32.34 H new ATOM 0 HB2 ASN A 37 -8.545 17.465 22.988 1.00 22.35 H new ATOM 0 HB3 ASN A 37 -8.697 18.195 21.403 1.00 22.35 H new ATOM 0 HD21 ASN A 37 -12.086 16.330 22.947 1.00 33.24 H new ATOM 0 HD22 ASN A 37 -10.491 15.601 23.156 1.00 33.24 H new ATOM 561 N GLU A 38 -9.463 16.416 19.158 1.00 63.32 N ATOM 562 CA GLU A 38 -10.319 16.137 18.011 1.00 50.00 C ATOM 563 C GLU A 38 -9.999 14.771 17.412 1.00 65.41 C ATOM 564 O GLU A 38 -10.881 13.927 17.255 1.00 60.33 O ATOM 565 CB GLU A 38 -10.154 17.224 16.947 1.00 43.11 C ATOM 566 CG GLU A 38 -10.544 18.611 17.428 1.00 14.32 C ATOM 567 CD GLU A 38 -11.575 19.271 16.532 1.00 4.02 C ATOM 568 OE1 GLU A 38 -12.704 18.745 16.441 1.00 42.34 O ATOM 569 OE2 GLU A 38 -11.252 20.312 15.923 1.00 52.12 O ATOM 0 H GLU A 38 -8.870 17.239 19.052 1.00 63.32 H new ATOM 0 HA GLU A 38 -11.353 16.130 18.356 1.00 50.00 H new ATOM 0 HB2 GLU A 38 -9.116 17.242 16.616 1.00 43.11 H new ATOM 0 HB3 GLU A 38 -10.761 16.966 16.079 1.00 43.11 H new ATOM 0 HG2 GLU A 38 -10.940 18.542 18.441 1.00 14.32 H new ATOM 0 HG3 GLU A 38 -9.654 19.239 17.475 1.00 14.32 H new ATOM 576 N VAL A 39 -8.729 14.560 17.079 1.00 50.14 N ATOM 577 CA VAL A 39 -8.291 13.297 16.497 1.00 24.03 C ATOM 578 C VAL A 39 -8.778 12.113 17.325 1.00 65.21 C ATOM 579 O VAL A 39 -9.027 11.030 16.793 1.00 54.31 O ATOM 580 CB VAL A 39 -6.756 13.234 16.384 1.00 22.24 C ATOM 581 CG1 VAL A 39 -6.292 11.797 16.202 1.00 33.44 C ATOM 582 CG2 VAL A 39 -6.270 14.109 15.239 1.00 62.44 C ATOM 0 H VAL A 39 -7.986 15.248 17.202 1.00 50.14 H new ATOM 0 HA VAL A 39 -8.724 13.241 15.498 1.00 24.03 H new ATOM 0 HB VAL A 39 -6.325 13.615 17.310 1.00 22.24 H new ATOM 0 HG11 VAL A 39 -5.205 11.773 16.124 1.00 33.44 H new ATOM 0 HG12 VAL A 39 -6.608 11.201 17.059 1.00 33.44 H new ATOM 0 HG13 VAL A 39 -6.730 11.386 15.293 1.00 33.44 H new ATOM 0 HG21 VAL A 39 -5.183 14.053 15.174 1.00 62.44 H new ATOM 0 HG22 VAL A 39 -6.708 13.761 14.304 1.00 62.44 H new ATOM 0 HG23 VAL A 39 -6.570 15.142 15.418 1.00 62.44 H new ATOM 592 N LEU A 40 -8.911 12.325 18.629 1.00 21.14 N ATOM 593 CA LEU A 40 -9.369 11.275 19.532 1.00 30.24 C ATOM 594 C LEU A 40 -10.649 10.629 19.012 1.00 61.14 C ATOM 595 O LEU A 40 -10.704 9.417 18.804 1.00 52.23 O ATOM 596 CB LEU A 40 -9.605 11.846 20.932 1.00 73.51 C ATOM 597 CG LEU A 40 -9.168 10.961 22.100 1.00 35.21 C ATOM 598 CD1 LEU A 40 -9.594 9.520 21.866 1.00 25.51 C ATOM 599 CD2 LEU A 40 -7.663 11.049 22.302 1.00 63.33 C ATOM 0 H LEU A 40 -8.708 13.215 19.085 1.00 21.14 H new ATOM 0 HA LEU A 40 -8.593 10.511 19.584 1.00 30.24 H new ATOM 0 HB2 LEU A 40 -9.080 12.798 21.007 1.00 73.51 H new ATOM 0 HB3 LEU A 40 -10.668 12.059 21.041 1.00 73.51 H new ATOM 0 HG LEU A 40 -9.657 11.320 23.006 1.00 35.21 H new ATOM 0 HD11 LEU A 40 -9.275 8.905 22.707 1.00 25.51 H new ATOM 0 HD12 LEU A 40 -10.679 9.472 21.773 1.00 25.51 H new ATOM 0 HD13 LEU A 40 -9.134 9.149 20.950 1.00 25.51 H new ATOM 0 HD21 LEU A 40 -7.370 10.413 23.137 1.00 63.33 H new ATOM 0 HD22 LEU A 40 -7.154 10.717 21.397 1.00 63.33 H new ATOM 0 HD23 LEU A 40 -7.384 12.081 22.517 1.00 63.33 H new ATOM 611 N ALA A 41 -11.675 11.447 18.801 1.00 70.22 N ATOM 612 CA ALA A 41 -12.953 10.956 18.300 1.00 22.10 C ATOM 613 C ALA A 41 -12.758 10.069 17.075 1.00 52.11 C ATOM 614 O ALA A 41 -13.505 9.114 16.863 1.00 1.13 O ATOM 615 CB ALA A 41 -13.873 12.122 17.969 1.00 31.44 C ATOM 0 H ALA A 41 -11.646 12.453 18.969 1.00 70.22 H new ATOM 0 HA ALA A 41 -13.415 10.354 19.082 1.00 22.10 H new ATOM 0 HB1 ALA A 41 -14.824 11.741 17.596 1.00 31.44 H new ATOM 0 HB2 ALA A 41 -14.047 12.715 18.867 1.00 31.44 H new ATOM 0 HB3 ALA A 41 -13.408 12.747 17.206 1.00 31.44 H new ATOM 621 N ALA A 42 -11.751 10.392 16.270 1.00 23.15 N ATOM 622 CA ALA A 42 -11.458 9.623 15.067 1.00 4.51 C ATOM 623 C ALA A 42 -10.604 8.402 15.390 1.00 3.00 C ATOM 624 O ALA A 42 -10.714 7.364 14.736 1.00 32.02 O ATOM 625 CB ALA A 42 -10.760 10.500 14.038 1.00 40.42 C ATOM 0 H ALA A 42 -11.125 11.181 16.429 1.00 23.15 H new ATOM 0 HA ALA A 42 -12.402 9.273 14.650 1.00 4.51 H new ATOM 0 HB1 ALA A 42 -10.547 9.913 13.144 1.00 40.42 H new ATOM 0 HB2 ALA A 42 -11.406 11.338 13.776 1.00 40.42 H new ATOM 0 HB3 ALA A 42 -9.827 10.878 14.455 1.00 40.42 H new ATOM 631 N LEU A 43 -9.752 8.532 16.401 1.00 0.21 N ATOM 632 CA LEU A 43 -8.878 7.438 16.811 1.00 42.53 C ATOM 633 C LEU A 43 -9.692 6.236 17.277 1.00 12.14 C ATOM 634 O LEU A 43 -9.571 5.141 16.728 1.00 14.45 O ATOM 635 CB LEU A 43 -7.941 7.899 17.929 1.00 51.42 C ATOM 636 CG LEU A 43 -6.668 8.620 17.484 1.00 71.05 C ATOM 637 CD1 LEU A 43 -6.020 9.335 18.659 1.00 33.22 C ATOM 638 CD2 LEU A 43 -5.693 7.638 16.851 1.00 61.10 C ATOM 0 H LEU A 43 -9.648 9.384 16.952 1.00 0.21 H new ATOM 0 HA LEU A 43 -8.284 7.138 15.948 1.00 42.53 H new ATOM 0 HB2 LEU A 43 -8.497 8.562 18.592 1.00 51.42 H new ATOM 0 HB3 LEU A 43 -7.654 7.028 18.518 1.00 51.42 H new ATOM 0 HG LEU A 43 -6.938 9.366 16.737 1.00 71.05 H new ATOM 0 HD11 LEU A 43 -5.116 9.842 18.323 1.00 33.22 H new ATOM 0 HD12 LEU A 43 -6.716 10.067 19.068 1.00 33.22 H new ATOM 0 HD13 LEU A 43 -5.763 8.609 19.430 1.00 33.22 H new ATOM 0 HD21 LEU A 43 -4.793 8.168 16.540 1.00 61.10 H new ATOM 0 HD22 LEU A 43 -5.429 6.869 17.577 1.00 61.10 H new ATOM 0 HD23 LEU A 43 -6.158 7.173 15.982 1.00 61.10 H new ATOM 650 N ALA A 44 -10.523 6.449 18.293 1.00 60.23 N ATOM 651 CA ALA A 44 -11.361 5.384 18.830 1.00 24.23 C ATOM 652 C ALA A 44 -12.206 4.744 17.734 1.00 24.32 C ATOM 653 O ALA A 44 -12.600 3.582 17.839 1.00 2.45 O ATOM 654 CB ALA A 44 -12.252 5.922 19.940 1.00 43.42 C ATOM 0 H ALA A 44 -10.633 7.349 18.760 1.00 60.23 H new ATOM 0 HA ALA A 44 -10.708 4.616 19.244 1.00 24.23 H new ATOM 0 HB1 ALA A 44 -12.872 5.116 20.332 1.00 43.42 H new ATOM 0 HB2 ALA A 44 -11.632 6.325 20.741 1.00 43.42 H new ATOM 0 HB3 ALA A 44 -12.891 6.711 19.544 1.00 43.42 H new ATOM 660 N SER A 45 -12.481 5.509 16.683 1.00 70.12 N ATOM 661 CA SER A 45 -13.284 5.017 15.569 1.00 44.41 C ATOM 662 C SER A 45 -12.431 4.199 14.604 1.00 3.22 C ATOM 663 O SER A 45 -12.826 3.116 14.172 1.00 13.30 O ATOM 664 CB SER A 45 -13.934 6.186 14.827 1.00 52.33 C ATOM 665 OG SER A 45 -15.328 6.236 15.076 1.00 74.03 O ATOM 0 H SER A 45 -12.160 6.472 16.579 1.00 70.12 H new ATOM 0 HA SER A 45 -14.065 4.372 15.973 1.00 44.41 H new ATOM 0 HB2 SER A 45 -13.472 7.122 15.140 1.00 52.33 H new ATOM 0 HB3 SER A 45 -13.756 6.085 13.756 1.00 52.33 H new ATOM 0 HG SER A 45 -15.720 6.993 14.592 1.00 74.03 H new ATOM 671 N LYS A 46 -11.257 4.725 14.270 1.00 11.12 N ATOM 672 CA LYS A 46 -10.345 4.045 13.358 1.00 54.22 C ATOM 673 C LYS A 46 -8.964 4.692 13.387 1.00 71.50 C ATOM 674 O LYS A 46 -8.831 5.887 13.653 1.00 74.33 O ATOM 675 CB LYS A 46 -10.903 4.072 11.933 1.00 42.42 C ATOM 676 CG LYS A 46 -10.249 3.063 11.005 1.00 40.54 C ATOM 677 CD LYS A 46 -9.852 3.698 9.682 1.00 5.13 C ATOM 678 CE LYS A 46 -8.793 4.773 9.876 1.00 65.52 C ATOM 679 NZ LYS A 46 -9.349 6.141 9.686 1.00 34.43 N ATOM 0 H LYS A 46 -10.915 5.621 14.618 1.00 11.12 H new ATOM 0 HA LYS A 46 -10.248 3.010 13.685 1.00 54.22 H new ATOM 0 HB2 LYS A 46 -11.975 3.879 11.968 1.00 42.42 H new ATOM 0 HB3 LYS A 46 -10.772 5.072 11.519 1.00 42.42 H new ATOM 0 HG2 LYS A 46 -9.367 2.642 11.487 1.00 40.54 H new ATOM 0 HG3 LYS A 46 -10.936 2.237 10.822 1.00 40.54 H new ATOM 0 HD2 LYS A 46 -9.473 2.930 9.008 1.00 5.13 H new ATOM 0 HD3 LYS A 46 -10.731 4.133 9.208 1.00 5.13 H new ATOM 0 HE2 LYS A 46 -8.370 4.689 10.877 1.00 65.52 H new ATOM 0 HE3 LYS A 46 -7.978 4.611 9.171 1.00 65.52 H new ATOM 0 HZ1 LYS A 46 -8.619 6.759 9.277 1.00 34.43 H new ATOM 0 HZ2 LYS A 46 -10.166 6.098 9.044 1.00 34.43 H new ATOM 0 HZ3 LYS A 46 -9.651 6.524 10.605 1.00 34.43 H new ATOM 693 N THR A 47 -7.937 3.894 13.111 1.00 45.42 N ATOM 694 CA THR A 47 -6.566 4.389 13.105 1.00 24.21 C ATOM 695 C THR A 47 -5.932 4.237 11.727 1.00 51.21 C ATOM 696 O THR A 47 -5.955 3.166 11.121 1.00 72.21 O ATOM 697 CB THR A 47 -5.697 3.649 14.141 1.00 55.43 C ATOM 698 OG1 THR A 47 -5.499 2.291 13.733 1.00 34.15 O ATOM 699 CG2 THR A 47 -6.349 3.682 15.515 1.00 2.31 C ATOM 0 H THR A 47 -8.029 2.903 12.889 1.00 45.42 H new ATOM 0 HA THR A 47 -6.611 5.446 13.367 1.00 24.21 H new ATOM 0 HB THR A 47 -4.733 4.153 14.202 1.00 55.43 H new ATOM 0 HG1 THR A 47 -5.647 2.215 12.767 1.00 34.15 H new ATOM 0 HG21 THR A 47 -5.718 3.154 16.230 1.00 2.31 H new ATOM 0 HG22 THR A 47 -6.472 4.717 15.835 1.00 2.31 H new ATOM 0 HG23 THR A 47 -7.325 3.199 15.466 1.00 2.31 H new ATOM 707 N PRO A 48 -5.351 5.334 11.218 1.00 74.11 N ATOM 708 CA PRO A 48 -4.699 5.347 9.905 1.00 11.42 C ATOM 709 C PRO A 48 -3.407 4.537 9.892 1.00 51.55 C ATOM 710 O PRO A 48 -3.117 3.798 10.832 1.00 71.31 O ATOM 711 CB PRO A 48 -4.403 6.831 9.672 1.00 63.25 C ATOM 712 CG PRO A 48 -4.315 7.419 11.037 1.00 11.33 C ATOM 713 CD PRO A 48 -5.286 6.645 11.885 1.00 53.11 C ATOM 0 HA PRO A 48 -5.324 4.897 9.134 1.00 11.42 H new ATOM 0 HB2 PRO A 48 -3.472 6.967 9.122 1.00 63.25 H new ATOM 0 HB3 PRO A 48 -5.191 7.305 9.087 1.00 63.25 H new ATOM 0 HG2 PRO A 48 -3.302 7.339 11.432 1.00 11.33 H new ATOM 0 HG3 PRO A 48 -4.569 8.479 11.022 1.00 11.33 H new ATOM 0 HD2 PRO A 48 -4.938 6.556 12.914 1.00 53.11 H new ATOM 0 HD3 PRO A 48 -6.263 7.127 11.919 1.00 53.11 H new ATOM 721 N ASP A 49 -2.635 4.683 8.821 1.00 62.45 N ATOM 722 CA ASP A 49 -1.372 3.965 8.685 1.00 12.44 C ATOM 723 C ASP A 49 -0.232 4.747 9.330 1.00 23.21 C ATOM 724 O ASP A 49 0.851 4.208 9.562 1.00 34.04 O ATOM 725 CB ASP A 49 -1.062 3.710 7.210 1.00 63.22 C ATOM 726 CG ASP A 49 -0.926 2.233 6.894 1.00 2.21 C ATOM 727 OD1 ASP A 49 -0.298 1.510 7.696 1.00 42.01 O ATOM 728 OD2 ASP A 49 -1.448 1.801 5.846 1.00 70.52 O ATOM 0 H ASP A 49 -2.861 5.292 8.034 1.00 62.45 H new ATOM 0 HA ASP A 49 -1.469 3.008 9.198 1.00 12.44 H new ATOM 0 HB2 ASP A 49 -1.854 4.139 6.596 1.00 63.22 H new ATOM 0 HB3 ASP A 49 -0.138 4.223 6.942 1.00 63.22 H new ATOM 733 N VAL A 50 -0.481 6.021 9.616 1.00 33.20 N ATOM 734 CA VAL A 50 0.524 6.877 10.234 1.00 63.12 C ATOM 735 C VAL A 50 -0.044 8.257 10.544 1.00 53.15 C ATOM 736 O VAL A 50 -0.779 8.833 9.740 1.00 74.41 O ATOM 737 CB VAL A 50 1.760 7.034 9.328 1.00 3.25 C ATOM 738 CG1 VAL A 50 1.417 7.852 8.093 1.00 73.12 C ATOM 739 CG2 VAL A 50 2.906 7.673 10.099 1.00 65.55 C ATOM 0 H VAL A 50 -1.371 6.483 9.429 1.00 33.20 H new ATOM 0 HA VAL A 50 0.823 6.394 11.164 1.00 63.12 H new ATOM 0 HB VAL A 50 2.078 6.044 9.001 1.00 3.25 H new ATOM 0 HG11 VAL A 50 2.303 7.952 7.465 1.00 73.12 H new ATOM 0 HG12 VAL A 50 0.629 7.350 7.531 1.00 73.12 H new ATOM 0 HG13 VAL A 50 1.073 8.841 8.396 1.00 73.12 H new ATOM 0 HG21 VAL A 50 3.772 7.777 9.445 1.00 65.55 H new ATOM 0 HG22 VAL A 50 2.601 8.657 10.456 1.00 65.55 H new ATOM 0 HG23 VAL A 50 3.168 7.044 10.950 1.00 65.55 H new ATOM 749 N LEU A 51 0.301 8.784 11.713 1.00 33.02 N ATOM 750 CA LEU A 51 -0.175 10.099 12.130 1.00 23.42 C ATOM 751 C LEU A 51 0.926 10.874 12.847 1.00 63.15 C ATOM 752 O LEU A 51 1.761 10.291 13.539 1.00 22.54 O ATOM 753 CB LEU A 51 -1.392 9.956 13.046 1.00 60.25 C ATOM 754 CG LEU A 51 -1.919 11.249 13.668 1.00 1.13 C ATOM 755 CD1 LEU A 51 -3.423 11.167 13.876 1.00 12.22 C ATOM 756 CD2 LEU A 51 -1.211 11.534 14.985 1.00 34.22 C ATOM 0 H LEU A 51 0.909 8.322 12.389 1.00 33.02 H new ATOM 0 HA LEU A 51 -0.463 10.654 11.237 1.00 23.42 H new ATOM 0 HB2 LEU A 51 -2.199 9.496 12.476 1.00 60.25 H new ATOM 0 HB3 LEU A 51 -1.137 9.267 13.851 1.00 60.25 H new ATOM 0 HG LEU A 51 -1.712 12.070 12.982 1.00 1.13 H new ATOM 0 HD11 LEU A 51 -3.780 12.096 14.320 1.00 12.22 H new ATOM 0 HD12 LEU A 51 -3.915 11.011 12.916 1.00 12.22 H new ATOM 0 HD13 LEU A 51 -3.653 10.335 14.542 1.00 12.22 H new ATOM 0 HD21 LEU A 51 -1.599 12.458 15.414 1.00 34.22 H new ATOM 0 HD22 LEU A 51 -1.386 10.711 15.678 1.00 34.22 H new ATOM 0 HD23 LEU A 51 -0.140 11.637 14.808 1.00 34.22 H new ATOM 768 N LEU A 52 0.921 12.191 12.677 1.00 2.40 N ATOM 769 CA LEU A 52 1.918 13.048 13.309 1.00 4.14 C ATOM 770 C LEU A 52 1.270 13.977 14.330 1.00 35.05 C ATOM 771 O LEU A 52 0.471 14.844 13.976 1.00 2.42 O ATOM 772 CB LEU A 52 2.657 13.870 12.252 1.00 3.31 C ATOM 773 CG LEU A 52 3.563 13.085 11.303 1.00 71.20 C ATOM 774 CD1 LEU A 52 2.738 12.387 10.233 1.00 53.11 C ATOM 775 CD2 LEU A 52 4.595 14.005 10.668 1.00 64.44 C ATOM 0 H LEU A 52 0.238 12.689 12.107 1.00 2.40 H new ATOM 0 HA LEU A 52 2.632 12.409 13.829 1.00 4.14 H new ATOM 0 HB2 LEU A 52 1.919 14.406 11.656 1.00 3.31 H new ATOM 0 HB3 LEU A 52 3.262 14.620 12.762 1.00 3.31 H new ATOM 0 HG LEU A 52 4.090 12.325 11.880 1.00 71.20 H new ATOM 0 HD11 LEU A 52 3.400 11.833 9.567 1.00 53.11 H new ATOM 0 HD12 LEU A 52 2.038 11.697 10.705 1.00 53.11 H new ATOM 0 HD13 LEU A 52 2.184 13.129 9.659 1.00 53.11 H new ATOM 0 HD21 LEU A 52 5.231 13.429 9.996 1.00 64.44 H new ATOM 0 HD22 LEU A 52 4.087 14.788 10.105 1.00 64.44 H new ATOM 0 HD23 LEU A 52 5.207 14.458 11.448 1.00 64.44 H new ATOM 787 N SER A 53 1.620 13.790 15.599 1.00 15.31 N ATOM 788 CA SER A 53 1.070 14.611 16.672 1.00 21.53 C ATOM 789 C SER A 53 2.073 15.672 17.113 1.00 43.23 C ATOM 790 O SER A 53 3.280 15.517 16.927 1.00 63.34 O ATOM 791 CB SER A 53 0.681 13.734 17.865 1.00 44.24 C ATOM 792 OG SER A 53 1.827 13.318 18.587 1.00 44.40 O ATOM 0 H SER A 53 2.281 13.078 15.909 1.00 15.31 H new ATOM 0 HA SER A 53 0.180 15.113 16.292 1.00 21.53 H new ATOM 0 HB2 SER A 53 0.013 14.288 18.525 1.00 44.24 H new ATOM 0 HB3 SER A 53 0.131 12.861 17.514 1.00 44.24 H new ATOM 0 HG SER A 53 1.552 12.761 19.345 1.00 44.40 H new ATOM 798 N ASP A 54 1.565 16.751 17.697 1.00 14.22 N ATOM 799 CA ASP A 54 2.415 17.840 18.166 1.00 72.53 C ATOM 800 C ASP A 54 2.357 17.959 19.685 1.00 31.45 C ATOM 801 O ASP A 54 1.417 17.478 20.320 1.00 43.20 O ATOM 802 CB ASP A 54 1.990 19.160 17.522 1.00 43.33 C ATOM 803 CG ASP A 54 2.898 19.564 16.377 1.00 41.05 C ATOM 804 OD1 ASP A 54 2.785 18.960 15.289 1.00 3.44 O ATOM 805 OD2 ASP A 54 3.722 20.483 16.568 1.00 50.23 O ATOM 0 H ASP A 54 0.568 16.896 17.857 1.00 14.22 H new ATOM 0 HA ASP A 54 3.442 17.617 17.876 1.00 72.53 H new ATOM 0 HB2 ASP A 54 0.967 19.070 17.156 1.00 43.33 H new ATOM 0 HB3 ASP A 54 1.990 19.946 18.277 1.00 43.33 H new ATOM 810 N ILE A 55 3.367 18.600 20.262 1.00 3.44 N ATOM 811 CA ILE A 55 3.431 18.782 21.707 1.00 12.12 C ATOM 812 C ILE A 55 2.961 20.177 22.107 1.00 34.51 C ATOM 813 O ILE A 55 2.043 20.326 22.914 1.00 21.43 O ATOM 814 CB ILE A 55 4.859 18.562 22.240 1.00 32.41 C ATOM 815 CG1 ILE A 55 5.614 17.577 21.345 1.00 43.30 C ATOM 816 CG2 ILE A 55 4.817 18.057 23.675 1.00 73.44 C ATOM 817 CD1 ILE A 55 4.916 16.244 21.189 1.00 42.54 C ATOM 0 H ILE A 55 4.153 19.002 19.751 1.00 3.44 H new ATOM 0 HA ILE A 55 2.769 18.037 22.148 1.00 12.12 H new ATOM 0 HB ILE A 55 5.387 19.515 22.226 1.00 32.41 H new ATOM 0 HG12 ILE A 55 5.750 18.024 20.360 1.00 43.30 H new ATOM 0 HG13 ILE A 55 6.608 17.411 21.759 1.00 43.30 H new ATOM 0 HG21 ILE A 55 5.834 17.906 24.038 1.00 73.44 H new ATOM 0 HG22 ILE A 55 4.312 18.790 24.304 1.00 73.44 H new ATOM 0 HG23 ILE A 55 4.275 17.112 23.713 1.00 73.44 H new ATOM 0 HD11 ILE A 55 5.508 15.597 20.542 1.00 42.54 H new ATOM 0 HD12 ILE A 55 4.804 15.775 22.167 1.00 42.54 H new ATOM 0 HD13 ILE A 55 3.932 16.398 20.746 1.00 42.54 H new ATOM 829 N ARG A 56 3.594 21.195 21.535 1.00 4.24 N ATOM 830 CA ARG A 56 3.241 22.578 21.832 1.00 54.24 C ATOM 831 C ARG A 56 1.944 22.970 21.129 1.00 44.44 C ATOM 832 O ARG A 56 1.953 23.764 20.188 1.00 73.42 O ATOM 833 CB ARG A 56 4.369 23.518 21.405 1.00 45.32 C ATOM 834 CG ARG A 56 4.380 24.838 22.158 1.00 4.33 C ATOM 835 CD ARG A 56 4.651 24.632 23.640 1.00 30.54 C ATOM 836 NE ARG A 56 5.894 25.271 24.064 1.00 15.24 N ATOM 837 CZ ARG A 56 6.279 25.359 25.332 1.00 2.35 C ATOM 838 NH1 ARG A 56 5.523 24.851 26.296 1.00 62.13 N ATOM 839 NH2 ARG A 56 7.424 25.957 25.639 1.00 33.41 N ATOM 0 H ARG A 56 4.354 21.089 20.863 1.00 4.24 H new ATOM 0 HA ARG A 56 3.093 22.666 22.908 1.00 54.24 H new ATOM 0 HB2 ARG A 56 5.325 23.016 21.555 1.00 45.32 H new ATOM 0 HB3 ARG A 56 4.278 23.719 20.338 1.00 45.32 H new ATOM 0 HG2 ARG A 56 5.142 25.493 21.735 1.00 4.33 H new ATOM 0 HG3 ARG A 56 3.421 25.340 22.029 1.00 4.33 H new ATOM 0 HD2 ARG A 56 3.820 25.035 24.220 1.00 30.54 H new ATOM 0 HD3 ARG A 56 4.701 23.564 23.854 1.00 30.54 H new ATOM 0 HE ARG A 56 6.499 25.671 23.347 1.00 15.24 H new ATOM 0 HH11 ARG A 56 4.643 24.391 26.065 1.00 62.13 H new ATOM 0 HH12 ARG A 56 5.822 24.920 27.269 1.00 62.13 H new ATOM 0 HH21 ARG A 56 8.008 26.349 24.901 1.00 33.41 H new ATOM 0 HH22 ARG A 56 7.719 26.024 26.613 1.00 33.41 H new ATOM 853 N MET A 57 0.833 22.408 21.592 1.00 53.43 N ATOM 854 CA MET A 57 -0.471 22.700 21.007 1.00 13.15 C ATOM 855 C MET A 57 -1.418 23.281 22.053 1.00 20.53 C ATOM 856 O MET A 57 -1.214 23.135 23.259 1.00 40.43 O ATOM 857 CB MET A 57 -1.077 21.433 20.401 1.00 33.02 C ATOM 858 CG MET A 57 -0.657 21.187 18.961 1.00 23.14 C ATOM 859 SD MET A 57 -1.650 19.917 18.155 1.00 72.41 S ATOM 860 CE MET A 57 -1.604 18.617 19.387 1.00 44.40 C ATOM 0 H MET A 57 0.809 21.748 22.370 1.00 53.43 H new ATOM 0 HA MET A 57 -0.331 23.440 20.219 1.00 13.15 H new ATOM 0 HB2 MET A 57 -0.786 20.575 21.007 1.00 33.02 H new ATOM 0 HB3 MET A 57 -2.164 21.502 20.447 1.00 33.02 H new ATOM 0 HG2 MET A 57 -0.738 22.117 18.399 1.00 23.14 H new ATOM 0 HG3 MET A 57 0.392 20.891 18.938 1.00 23.14 H new ATOM 0 HE1 MET A 57 -1.675 17.647 18.895 1.00 44.40 H new ATOM 0 HE2 MET A 57 -0.668 18.675 19.942 1.00 44.40 H new ATOM 0 HE3 MET A 57 -2.441 18.737 20.074 1.00 44.40 H new ATOM 870 N PRO A 58 -2.479 23.954 21.584 1.00 44.22 N ATOM 871 CA PRO A 58 -3.478 24.570 22.462 1.00 23.45 C ATOM 872 C PRO A 58 -4.332 23.533 23.184 1.00 10.12 C ATOM 873 O PRO A 58 -4.635 23.679 24.368 1.00 41.34 O ATOM 874 CB PRO A 58 -4.336 25.394 21.500 1.00 14.12 C ATOM 875 CG PRO A 58 -4.183 24.718 20.182 1.00 52.14 C ATOM 876 CD PRO A 58 -2.784 24.166 20.159 1.00 15.51 C ATOM 0 HA PRO A 58 -3.017 25.160 23.254 1.00 23.45 H new ATOM 0 HB2 PRO A 58 -5.379 25.413 21.817 1.00 14.12 H new ATOM 0 HB3 PRO A 58 -3.998 26.429 21.456 1.00 14.12 H new ATOM 0 HG2 PRO A 58 -4.918 23.922 20.064 1.00 52.14 H new ATOM 0 HG3 PRO A 58 -4.339 25.420 19.363 1.00 52.14 H new ATOM 0 HD2 PRO A 58 -2.728 23.236 19.593 1.00 15.51 H new ATOM 0 HD3 PRO A 58 -2.084 24.863 19.697 1.00 15.51 H new ATOM 884 N GLY A 59 -4.718 22.485 22.463 1.00 24.40 N ATOM 885 CA GLY A 59 -5.533 21.439 23.052 1.00 33.20 C ATOM 886 C GLY A 59 -4.944 20.901 24.341 1.00 35.01 C ATOM 887 O GLY A 59 -5.305 21.348 25.430 1.00 62.14 O ATOM 0 H GLY A 59 -4.481 22.342 21.481 1.00 24.40 H new ATOM 0 HA2 GLY A 59 -6.532 21.828 23.247 1.00 33.20 H new ATOM 0 HA3 GLY A 59 -5.643 20.623 22.338 1.00 33.20 H new ATOM 891 N MET A 60 -4.037 19.938 24.219 1.00 73.53 N ATOM 892 CA MET A 60 -3.398 19.338 25.384 1.00 21.12 C ATOM 893 C MET A 60 -1.900 19.163 25.153 1.00 74.43 C ATOM 894 O MET A 60 -1.087 19.913 25.692 1.00 14.33 O ATOM 895 CB MET A 60 -4.038 17.986 25.704 1.00 30.34 C ATOM 896 CG MET A 60 -4.793 17.378 24.533 1.00 13.44 C ATOM 897 SD MET A 60 -5.519 15.777 24.931 1.00 75.50 S ATOM 898 CE MET A 60 -5.733 15.086 23.292 1.00 34.34 C ATOM 0 H MET A 60 -3.728 19.556 23.325 1.00 73.53 H new ATOM 0 HA MET A 60 -3.541 20.009 26.231 1.00 21.12 H new ATOM 0 HB2 MET A 60 -3.261 17.292 26.024 1.00 30.34 H new ATOM 0 HB3 MET A 60 -4.723 18.107 26.544 1.00 30.34 H new ATOM 0 HG2 MET A 60 -5.581 18.062 24.219 1.00 13.44 H new ATOM 0 HG3 MET A 60 -4.114 17.265 23.688 1.00 13.44 H new ATOM 0 HE1 MET A 60 -6.774 14.795 23.153 1.00 34.34 H new ATOM 0 HE2 MET A 60 -5.462 15.832 22.545 1.00 34.34 H new ATOM 0 HE3 MET A 60 -5.093 14.211 23.180 1.00 34.34 H new ATOM 908 N ASP A 61 -1.543 18.168 24.348 1.00 32.43 N ATOM 909 CA ASP A 61 -0.143 17.894 24.045 1.00 11.52 C ATOM 910 C ASP A 61 -0.013 16.695 23.111 1.00 53.50 C ATOM 911 O ASP A 61 -1.009 16.178 22.607 1.00 61.04 O ATOM 912 CB ASP A 61 0.640 17.640 25.334 1.00 34.42 C ATOM 913 CG ASP A 61 1.756 18.644 25.542 1.00 41.02 C ATOM 914 OD1 ASP A 61 1.494 19.858 25.410 1.00 3.34 O ATOM 915 OD2 ASP A 61 2.891 18.216 25.836 1.00 4.05 O ATOM 0 H ASP A 61 -2.204 17.538 23.894 1.00 32.43 H new ATOM 0 HA ASP A 61 0.272 18.768 23.544 1.00 11.52 H new ATOM 0 HB2 ASP A 61 -0.042 17.679 26.183 1.00 34.42 H new ATOM 0 HB3 ASP A 61 1.060 16.635 25.308 1.00 34.42 H new ATOM 920 N GLY A 62 1.222 16.259 22.884 1.00 2.31 N ATOM 921 CA GLY A 62 1.460 15.125 22.010 1.00 53.50 C ATOM 922 C GLY A 62 1.597 13.823 22.774 1.00 52.33 C ATOM 923 O GLY A 62 1.506 12.741 22.192 1.00 3.22 O ATOM 0 H GLY A 62 2.062 16.671 23.290 1.00 2.31 H new ATOM 0 HA2 GLY A 62 0.639 15.040 21.298 1.00 53.50 H new ATOM 0 HA3 GLY A 62 2.367 15.300 21.431 1.00 53.50 H new ATOM 927 N LEU A 63 1.817 13.926 24.080 1.00 64.24 N ATOM 928 CA LEU A 63 1.969 12.746 24.925 1.00 42.52 C ATOM 929 C LEU A 63 0.610 12.224 25.379 1.00 23.42 C ATOM 930 O LEU A 63 0.483 11.070 25.789 1.00 4.32 O ATOM 931 CB LEU A 63 2.835 13.075 26.142 1.00 10.33 C ATOM 932 CG LEU A 63 4.337 13.203 25.883 1.00 15.42 C ATOM 933 CD1 LEU A 63 5.024 13.884 27.056 1.00 4.41 C ATOM 934 CD2 LEU A 63 4.951 11.836 25.623 1.00 64.03 C ATOM 0 H LEU A 63 1.894 14.813 24.577 1.00 64.24 H new ATOM 0 HA LEU A 63 2.459 11.969 24.338 1.00 42.52 H new ATOM 0 HB2 LEU A 63 2.480 14.011 26.573 1.00 10.33 H new ATOM 0 HB3 LEU A 63 2.681 12.300 26.893 1.00 10.33 H new ATOM 0 HG LEU A 63 4.483 13.819 24.996 1.00 15.42 H new ATOM 0 HD11 LEU A 63 6.092 13.966 26.854 1.00 4.41 H new ATOM 0 HD12 LEU A 63 4.603 14.880 27.196 1.00 4.41 H new ATOM 0 HD13 LEU A 63 4.870 13.295 27.960 1.00 4.41 H new ATOM 0 HD21 LEU A 63 6.020 11.946 25.441 1.00 64.03 H new ATOM 0 HD22 LEU A 63 4.795 11.196 26.491 1.00 64.03 H new ATOM 0 HD23 LEU A 63 4.479 11.385 24.750 1.00 64.03 H new ATOM 946 N ALA A 64 -0.403 13.079 25.301 1.00 15.54 N ATOM 947 CA ALA A 64 -1.754 12.703 25.701 1.00 62.45 C ATOM 948 C ALA A 64 -2.425 11.851 24.629 1.00 74.32 C ATOM 949 O ALA A 64 -3.154 10.907 24.938 1.00 63.52 O ATOM 950 CB ALA A 64 -2.585 13.944 25.988 1.00 1.12 C ATOM 0 H ALA A 64 -0.315 14.038 24.964 1.00 15.54 H new ATOM 0 HA ALA A 64 -1.685 12.108 26.612 1.00 62.45 H new ATOM 0 HB1 ALA A 64 -3.591 13.648 26.285 1.00 1.12 H new ATOM 0 HB2 ALA A 64 -2.122 14.514 26.793 1.00 1.12 H new ATOM 0 HB3 ALA A 64 -2.639 14.561 25.091 1.00 1.12 H new ATOM 956 N LEU A 65 -2.177 12.190 23.369 1.00 71.23 N ATOM 957 CA LEU A 65 -2.759 11.456 22.250 1.00 23.21 C ATOM 958 C LEU A 65 -1.898 10.251 21.883 1.00 34.12 C ATOM 959 O LEU A 65 -2.415 9.192 21.524 1.00 21.23 O ATOM 960 CB LEU A 65 -2.913 12.375 21.037 1.00 75.30 C ATOM 961 CG LEU A 65 -3.829 11.867 19.923 1.00 71.33 C ATOM 962 CD1 LEU A 65 -5.285 11.935 20.356 1.00 54.35 C ATOM 963 CD2 LEU A 65 -3.612 12.668 18.647 1.00 23.41 C ATOM 0 H LEU A 65 -1.577 12.968 23.096 1.00 71.23 H new ATOM 0 HA LEU A 65 -3.743 11.098 22.554 1.00 23.21 H new ATOM 0 HB2 LEU A 65 -3.292 13.337 21.381 1.00 75.30 H new ATOM 0 HB3 LEU A 65 -1.925 12.554 20.614 1.00 75.30 H new ATOM 0 HG LEU A 65 -3.580 10.825 19.721 1.00 71.33 H new ATOM 0 HD11 LEU A 65 -5.922 11.569 19.550 1.00 54.35 H new ATOM 0 HD12 LEU A 65 -5.430 11.317 21.242 1.00 54.35 H new ATOM 0 HD13 LEU A 65 -5.548 12.967 20.586 1.00 54.35 H new ATOM 0 HD21 LEU A 65 -4.272 12.293 17.865 1.00 23.41 H new ATOM 0 HD22 LEU A 65 -3.833 13.719 18.835 1.00 23.41 H new ATOM 0 HD23 LEU A 65 -2.575 12.567 18.326 1.00 23.41 H new ATOM 975 N LEU A 66 -0.584 10.419 21.977 1.00 20.53 N ATOM 976 CA LEU A 66 0.349 9.344 21.658 1.00 62.24 C ATOM 977 C LEU A 66 0.292 8.242 22.711 1.00 62.24 C ATOM 978 O LEU A 66 0.585 7.080 22.426 1.00 12.22 O ATOM 979 CB LEU A 66 1.773 9.892 21.554 1.00 44.44 C ATOM 980 CG LEU A 66 2.861 8.875 21.207 1.00 51.15 C ATOM 981 CD1 LEU A 66 2.797 8.507 19.732 1.00 11.42 C ATOM 982 CD2 LEU A 66 4.236 9.422 21.563 1.00 73.44 C ATOM 0 H LEU A 66 -0.140 11.289 22.271 1.00 20.53 H new ATOM 0 HA LEU A 66 0.059 8.918 20.697 1.00 62.24 H new ATOM 0 HB2 LEU A 66 1.784 10.678 20.798 1.00 44.44 H new ATOM 0 HB3 LEU A 66 2.031 10.360 22.504 1.00 44.44 H new ATOM 0 HG LEU A 66 2.688 7.973 21.793 1.00 51.15 H new ATOM 0 HD11 LEU A 66 3.579 7.782 19.504 1.00 11.42 H new ATOM 0 HD12 LEU A 66 1.823 8.073 19.507 1.00 11.42 H new ATOM 0 HD13 LEU A 66 2.944 9.402 19.127 1.00 11.42 H new ATOM 0 HD21 LEU A 66 4.998 8.685 21.309 1.00 73.44 H new ATOM 0 HD22 LEU A 66 4.418 10.340 21.004 1.00 73.44 H new ATOM 0 HD23 LEU A 66 4.278 9.634 22.631 1.00 73.44 H new ATOM 994 N LYS A 67 -0.089 8.613 23.928 1.00 4.32 N ATOM 995 CA LYS A 67 -0.188 7.657 25.024 1.00 32.03 C ATOM 996 C LYS A 67 -1.355 6.699 24.807 1.00 54.45 C ATOM 997 O LYS A 67 -1.401 5.619 25.394 1.00 1.35 O ATOM 998 CB LYS A 67 -0.359 8.392 26.356 1.00 72.13 C ATOM 999 CG LYS A 67 -0.689 7.473 27.519 1.00 12.45 C ATOM 1000 CD LYS A 67 -0.793 8.243 28.825 1.00 13.34 C ATOM 1001 CE LYS A 67 -0.004 7.567 29.936 1.00 62.14 C ATOM 1002 NZ LYS A 67 -0.010 8.370 31.189 1.00 12.35 N ATOM 0 H LYS A 67 -0.335 9.570 24.181 1.00 4.32 H new ATOM 0 HA LYS A 67 0.735 7.078 25.051 1.00 32.03 H new ATOM 0 HB2 LYS A 67 0.558 8.935 26.582 1.00 72.13 H new ATOM 0 HB3 LYS A 67 -1.151 9.133 26.253 1.00 72.13 H new ATOM 0 HG2 LYS A 67 -1.630 6.959 27.322 1.00 12.45 H new ATOM 0 HG3 LYS A 67 0.080 6.706 27.608 1.00 12.45 H new ATOM 0 HD2 LYS A 67 -0.423 9.258 28.680 1.00 13.34 H new ATOM 0 HD3 LYS A 67 -1.840 8.324 29.118 1.00 13.34 H new ATOM 0 HE2 LYS A 67 -0.427 6.582 30.134 1.00 62.14 H new ATOM 0 HE3 LYS A 67 1.024 7.412 29.609 1.00 62.14 H new ATOM 0 HZ1 LYS A 67 0.538 7.875 31.921 1.00 12.35 H new ATOM 0 HZ2 LYS A 67 0.417 9.301 31.007 1.00 12.35 H new ATOM 0 HZ3 LYS A 67 -0.989 8.496 31.516 1.00 12.35 H new ATOM 1016 N GLN A 68 -2.295 7.103 23.958 1.00 73.43 N ATOM 1017 CA GLN A 68 -3.462 6.279 23.663 1.00 63.14 C ATOM 1018 C GLN A 68 -3.127 5.214 22.623 1.00 32.15 C ATOM 1019 O GLN A 68 -3.322 4.021 22.858 1.00 34.05 O ATOM 1020 CB GLN A 68 -4.615 7.151 23.163 1.00 30.04 C ATOM 1021 CG GLN A 68 -5.700 7.379 24.204 1.00 61.35 C ATOM 1022 CD GLN A 68 -7.051 7.676 23.583 1.00 64.24 C ATOM 1023 OE1 GLN A 68 -7.703 8.661 23.929 1.00 20.02 O ATOM 1024 NE2 GLN A 68 -7.478 6.823 22.659 1.00 51.23 N ATOM 0 H GLN A 68 -2.271 7.995 23.463 1.00 73.43 H new ATOM 0 HA GLN A 68 -3.765 5.780 24.583 1.00 63.14 H new ATOM 0 HB2 GLN A 68 -4.219 8.116 22.845 1.00 30.04 H new ATOM 0 HB3 GLN A 68 -5.059 6.684 22.284 1.00 30.04 H new ATOM 0 HG2 GLN A 68 -5.782 6.496 24.838 1.00 61.35 H new ATOM 0 HG3 GLN A 68 -5.411 8.208 24.849 1.00 61.35 H new ATOM 0 HE21 GLN A 68 -6.904 6.019 22.403 1.00 51.23 H new ATOM 0 HE22 GLN A 68 -8.379 6.972 22.205 1.00 51.23 H new ATOM 1033 N ILE A 69 -2.623 5.653 21.475 1.00 31.50 N ATOM 1034 CA ILE A 69 -2.261 4.736 20.401 1.00 51.33 C ATOM 1035 C ILE A 69 -1.165 3.774 20.845 1.00 31.31 C ATOM 1036 O ILE A 69 -0.982 2.708 20.256 1.00 51.54 O ATOM 1037 CB ILE A 69 -1.784 5.497 19.149 1.00 35.31 C ATOM 1038 CG1 ILE A 69 -0.646 6.453 19.509 1.00 25.23 C ATOM 1039 CG2 ILE A 69 -2.942 6.257 18.518 1.00 23.43 C ATOM 1040 CD1 ILE A 69 -0.155 7.276 18.339 1.00 24.10 C ATOM 0 H ILE A 69 -2.456 6.637 21.264 1.00 31.50 H new ATOM 0 HA ILE A 69 -3.159 4.170 20.153 1.00 51.33 H new ATOM 0 HB ILE A 69 -1.410 4.775 18.423 1.00 35.31 H new ATOM 0 HG12 ILE A 69 -0.983 7.124 20.299 1.00 25.23 H new ATOM 0 HG13 ILE A 69 0.187 5.878 19.913 1.00 25.23 H new ATOM 0 HG21 ILE A 69 -2.589 6.790 17.635 1.00 23.43 H new ATOM 0 HG22 ILE A 69 -3.724 5.555 18.230 1.00 23.43 H new ATOM 0 HG23 ILE A 69 -3.343 6.972 19.237 1.00 23.43 H new ATOM 0 HD11 ILE A 69 0.652 7.931 18.668 1.00 24.10 H new ATOM 0 HD12 ILE A 69 0.213 6.612 17.556 1.00 24.10 H new ATOM 0 HD13 ILE A 69 -0.975 7.879 17.948 1.00 24.10 H new ATOM 1052 N LYS A 70 -0.439 4.155 21.890 1.00 23.14 N ATOM 1053 CA LYS A 70 0.638 3.325 22.418 1.00 41.22 C ATOM 1054 C LYS A 70 0.092 2.265 23.369 1.00 2.43 C ATOM 1055 O LYS A 70 0.531 1.116 23.349 1.00 73.35 O ATOM 1056 CB LYS A 70 1.670 4.193 23.142 1.00 62.23 C ATOM 1057 CG LYS A 70 2.878 4.540 22.289 1.00 24.32 C ATOM 1058 CD LYS A 70 4.058 3.633 22.598 1.00 72.20 C ATOM 1059 CE LYS A 70 4.775 3.200 21.329 1.00 45.14 C ATOM 1060 NZ LYS A 70 5.285 1.804 21.428 1.00 52.32 N ATOM 0 H LYS A 70 -0.577 5.034 22.389 1.00 23.14 H new ATOM 0 HA LYS A 70 1.120 2.822 21.580 1.00 41.22 H new ATOM 0 HB2 LYS A 70 1.191 5.115 23.470 1.00 62.23 H new ATOM 0 HB3 LYS A 70 2.006 3.672 24.038 1.00 62.23 H new ATOM 0 HG2 LYS A 70 2.617 4.452 21.234 1.00 24.32 H new ATOM 0 HG3 LYS A 70 3.161 5.578 22.462 1.00 24.32 H new ATOM 0 HD2 LYS A 70 4.757 4.154 23.252 1.00 72.20 H new ATOM 0 HD3 LYS A 70 3.710 2.753 23.139 1.00 72.20 H new ATOM 0 HE2 LYS A 70 4.093 3.278 20.482 1.00 45.14 H new ATOM 0 HE3 LYS A 70 5.606 3.877 21.133 1.00 45.14 H new ATOM 0 HZ1 LYS A 70 6.325 1.815 21.448 1.00 52.32 H new ATOM 0 HZ2 LYS A 70 4.926 1.364 22.299 1.00 52.32 H new ATOM 0 HZ3 LYS A 70 4.961 1.257 20.605 1.00 52.32 H new ATOM 1074 N GLN A 71 -0.867 2.660 24.200 1.00 0.23 N ATOM 1075 CA GLN A 71 -1.472 1.743 25.158 1.00 35.23 C ATOM 1076 C GLN A 71 -2.654 1.007 24.535 1.00 14.35 C ATOM 1077 O GLN A 71 -3.108 -0.011 25.057 1.00 74.54 O ATOM 1078 CB GLN A 71 -1.929 2.502 26.405 1.00 2.23 C ATOM 1079 CG GLN A 71 -0.783 2.951 27.297 1.00 2.54 C ATOM 1080 CD GLN A 71 -0.582 2.041 28.492 1.00 21.45 C ATOM 1081 OE1 GLN A 71 0.084 1.009 28.396 1.00 14.04 O ATOM 1082 NE2 GLN A 71 -1.157 2.418 29.628 1.00 34.01 N ATOM 0 H GLN A 71 -1.241 3.608 24.229 1.00 0.23 H new ATOM 0 HA GLN A 71 -0.719 1.008 25.444 1.00 35.23 H new ATOM 0 HB2 GLN A 71 -2.504 3.376 26.098 1.00 2.23 H new ATOM 0 HB3 GLN A 71 -2.600 1.866 26.982 1.00 2.23 H new ATOM 0 HG2 GLN A 71 0.136 2.984 26.712 1.00 2.54 H new ATOM 0 HG3 GLN A 71 -0.975 3.965 27.646 1.00 2.54 H new ATOM 0 HE21 GLN A 71 -1.700 3.281 29.663 1.00 34.01 H new ATOM 0 HE22 GLN A 71 -1.056 1.845 30.466 1.00 34.01 H new ATOM 1091 N ARG A 72 -3.148 1.531 23.418 1.00 34.42 N ATOM 1092 CA ARG A 72 -4.279 0.924 22.725 1.00 1.33 C ATOM 1093 C ARG A 72 -3.800 -0.035 21.639 1.00 11.33 C ATOM 1094 O ARG A 72 -4.078 -1.234 21.688 1.00 3.55 O ATOM 1095 CB ARG A 72 -5.167 2.007 22.109 1.00 21.11 C ATOM 1096 CG ARG A 72 -6.553 1.513 21.727 1.00 1.45 C ATOM 1097 CD ARG A 72 -7.513 2.670 21.499 1.00 0.42 C ATOM 1098 NE ARG A 72 -8.903 2.226 21.447 1.00 71.01 N ATOM 1099 CZ ARG A 72 -9.598 1.858 22.518 1.00 40.43 C ATOM 1100 NH1 ARG A 72 -9.035 1.883 23.718 1.00 61.52 N ATOM 1101 NH2 ARG A 72 -10.859 1.466 22.389 1.00 10.03 N ATOM 0 H ARG A 72 -2.784 2.374 22.974 1.00 34.42 H new ATOM 0 HA ARG A 72 -4.859 0.359 23.454 1.00 1.33 H new ATOM 0 HB2 ARG A 72 -5.266 2.830 22.817 1.00 21.11 H new ATOM 0 HB3 ARG A 72 -4.676 2.407 21.222 1.00 21.11 H new ATOM 0 HG2 ARG A 72 -6.489 0.908 20.822 1.00 1.45 H new ATOM 0 HG3 ARG A 72 -6.940 0.867 22.515 1.00 1.45 H new ATOM 0 HD2 ARG A 72 -7.396 3.401 22.299 1.00 0.42 H new ATOM 0 HD3 ARG A 72 -7.258 3.174 20.567 1.00 0.42 H new ATOM 0 HE ARG A 72 -9.366 2.197 20.539 1.00 71.01 H new ATOM 0 HH11 ARG A 72 -8.066 2.185 23.821 1.00 61.52 H new ATOM 0 HH12 ARG A 72 -9.571 1.600 24.539 1.00 61.52 H new ATOM 0 HH21 ARG A 72 -11.295 1.447 21.467 1.00 10.03 H new ATOM 0 HH22 ARG A 72 -11.392 1.184 23.212 1.00 10.03 H new ATOM 1115 N HIS A 73 -3.080 0.501 20.659 1.00 3.31 N ATOM 1116 CA HIS A 73 -2.562 -0.307 19.561 1.00 51.12 C ATOM 1117 C HIS A 73 -1.188 0.190 19.121 1.00 20.35 C ATOM 1118 O HIS A 73 -1.032 0.806 18.067 1.00 24.30 O ATOM 1119 CB HIS A 73 -3.530 -0.277 18.378 1.00 71.44 C ATOM 1120 CG HIS A 73 -4.416 0.930 18.359 1.00 73.12 C ATOM 1121 ND1 HIS A 73 -5.792 0.855 18.417 1.00 60.40 N ATOM 1122 CD2 HIS A 73 -4.116 2.248 18.290 1.00 63.25 C ATOM 1123 CE1 HIS A 73 -6.299 2.074 18.382 1.00 32.15 C ATOM 1124 NE2 HIS A 73 -5.303 2.938 18.306 1.00 61.34 N ATOM 0 H HIS A 73 -2.842 1.491 20.603 1.00 3.31 H new ATOM 0 HA HIS A 73 -2.462 -1.333 19.914 1.00 51.12 H new ATOM 0 HB2 HIS A 73 -2.958 -0.312 17.451 1.00 71.44 H new ATOM 0 HB3 HIS A 73 -4.151 -1.173 18.404 1.00 71.44 H new ATOM 0 HD2 HIS A 73 -3.127 2.677 18.233 1.00 63.25 H new ATOM 0 HE1 HIS A 73 -7.350 2.322 18.411 1.00 32.15 H new ATOM 0 HE2 HIS A 73 -5.400 3.953 18.266 1.00 61.34 H new ATOM 1132 N PRO A 74 -0.167 -0.083 19.948 1.00 15.12 N ATOM 1133 CA PRO A 74 1.211 0.327 19.666 1.00 42.50 C ATOM 1134 C PRO A 74 1.820 -0.447 18.502 1.00 54.45 C ATOM 1135 O PRO A 74 2.941 -0.169 18.078 1.00 41.40 O ATOM 1136 CB PRO A 74 1.951 0.005 20.967 1.00 74.01 C ATOM 1137 CG PRO A 74 1.150 -1.081 21.599 1.00 70.05 C ATOM 1138 CD PRO A 74 -0.281 -0.813 21.222 1.00 60.11 C ATOM 0 HA PRO A 74 1.272 1.375 19.373 1.00 42.50 H new ATOM 0 HB2 PRO A 74 2.973 -0.319 20.771 1.00 74.01 H new ATOM 0 HB3 PRO A 74 2.013 0.880 21.614 1.00 74.01 H new ATOM 0 HG2 PRO A 74 1.471 -2.060 21.243 1.00 70.05 H new ATOM 0 HG3 PRO A 74 1.275 -1.079 22.682 1.00 70.05 H new ATOM 0 HD2 PRO A 74 -0.846 -1.738 21.106 1.00 60.11 H new ATOM 0 HD3 PRO A 74 -0.792 -0.220 21.981 1.00 60.11 H new ATOM 1146 N MET A 75 1.072 -1.418 17.988 1.00 23.32 N ATOM 1147 CA MET A 75 1.539 -2.231 16.871 1.00 74.21 C ATOM 1148 C MET A 75 1.664 -1.392 15.603 1.00 33.21 C ATOM 1149 O MET A 75 2.364 -1.770 14.663 1.00 71.42 O ATOM 1150 CB MET A 75 0.583 -3.401 16.630 1.00 71.31 C ATOM 1151 CG MET A 75 1.215 -4.556 15.870 1.00 42.23 C ATOM 1152 SD MET A 75 2.212 -5.622 16.929 1.00 54.11 S ATOM 1153 CE MET A 75 3.588 -5.988 15.842 1.00 13.13 C ATOM 0 H MET A 75 0.141 -1.661 18.327 1.00 23.32 H new ATOM 0 HA MET A 75 2.524 -2.622 17.125 1.00 74.21 H new ATOM 0 HB2 MET A 75 0.218 -3.765 17.590 1.00 71.31 H new ATOM 0 HB3 MET A 75 -0.284 -3.043 16.075 1.00 71.31 H new ATOM 0 HG2 MET A 75 0.430 -5.149 15.400 1.00 42.23 H new ATOM 0 HG3 MET A 75 1.839 -4.160 15.069 1.00 42.23 H new ATOM 0 HE1 MET A 75 4.294 -6.640 16.356 1.00 13.13 H new ATOM 0 HE2 MET A 75 3.220 -6.486 14.945 1.00 13.13 H new ATOM 0 HE3 MET A 75 4.088 -5.060 15.563 1.00 13.13 H new ATOM 1163 N LEU A 76 0.981 -0.253 15.583 1.00 2.35 N ATOM 1164 CA LEU A 76 1.016 0.640 14.430 1.00 11.13 C ATOM 1165 C LEU A 76 2.129 1.673 14.575 1.00 61.14 C ATOM 1166 O LEU A 76 2.462 2.113 15.675 1.00 24.11 O ATOM 1167 CB LEU A 76 -0.331 1.345 14.266 1.00 54.41 C ATOM 1168 CG LEU A 76 -0.542 2.598 15.117 1.00 23.04 C ATOM 1169 CD1 LEU A 76 -0.505 3.846 14.249 1.00 34.02 C ATOM 1170 CD2 LEU A 76 -1.858 2.512 15.876 1.00 0.13 C ATOM 0 H LEU A 76 0.396 0.074 16.352 1.00 2.35 H new ATOM 0 HA LEU A 76 1.216 0.040 13.542 1.00 11.13 H new ATOM 0 HB2 LEU A 76 -0.450 1.618 13.218 1.00 54.41 H new ATOM 0 HB3 LEU A 76 -1.122 0.633 14.502 1.00 54.41 H new ATOM 0 HG LEU A 76 0.269 2.662 15.842 1.00 23.04 H new ATOM 0 HD11 LEU A 76 -0.657 4.727 14.872 1.00 34.02 H new ATOM 0 HD12 LEU A 76 0.463 3.915 13.752 1.00 34.02 H new ATOM 0 HD13 LEU A 76 -1.294 3.791 13.499 1.00 34.02 H new ATOM 0 HD21 LEU A 76 -1.991 3.412 16.476 1.00 0.13 H new ATOM 0 HD22 LEU A 76 -2.682 2.423 15.167 1.00 0.13 H new ATOM 0 HD23 LEU A 76 -1.845 1.639 16.529 1.00 0.13 H new ATOM 1182 N PRO A 77 2.718 2.072 13.437 1.00 33.32 N ATOM 1183 CA PRO A 77 3.800 3.060 13.410 1.00 24.44 C ATOM 1184 C PRO A 77 3.315 4.461 13.766 1.00 64.11 C ATOM 1185 O PRO A 77 2.144 4.790 13.577 1.00 43.14 O ATOM 1186 CB PRO A 77 4.286 3.014 11.960 1.00 63.04 C ATOM 1187 CG PRO A 77 3.111 2.532 11.181 1.00 10.04 C ATOM 1188 CD PRO A 77 2.371 1.589 12.090 1.00 42.32 C ATOM 0 HA PRO A 77 4.576 2.834 14.141 1.00 24.44 H new ATOM 0 HB2 PRO A 77 4.610 3.998 11.620 1.00 63.04 H new ATOM 0 HB3 PRO A 77 5.137 2.342 11.849 1.00 63.04 H new ATOM 0 HG2 PRO A 77 2.474 3.364 10.880 1.00 10.04 H new ATOM 0 HG3 PRO A 77 3.428 2.027 10.269 1.00 10.04 H new ATOM 0 HD2 PRO A 77 1.296 1.623 11.915 1.00 42.32 H new ATOM 0 HD3 PRO A 77 2.686 0.556 11.940 1.00 42.32 H new ATOM 1196 N VAL A 78 4.223 5.283 14.282 1.00 44.42 N ATOM 1197 CA VAL A 78 3.888 6.650 14.662 1.00 2.43 C ATOM 1198 C VAL A 78 5.095 7.571 14.522 1.00 11.41 C ATOM 1199 O VAL A 78 6.185 7.260 15.003 1.00 10.52 O ATOM 1200 CB VAL A 78 3.370 6.719 16.111 1.00 32.41 C ATOM 1201 CG1 VAL A 78 3.076 8.158 16.506 1.00 75.21 C ATOM 1202 CG2 VAL A 78 2.133 5.848 16.275 1.00 11.44 C ATOM 0 H VAL A 78 5.196 5.026 14.446 1.00 44.42 H new ATOM 0 HA VAL A 78 3.100 6.982 13.986 1.00 2.43 H new ATOM 0 HB VAL A 78 4.146 6.338 16.775 1.00 32.41 H new ATOM 0 HG11 VAL A 78 2.711 8.186 17.533 1.00 75.21 H new ATOM 0 HG12 VAL A 78 3.988 8.750 16.429 1.00 75.21 H new ATOM 0 HG13 VAL A 78 2.318 8.570 15.840 1.00 75.21 H new ATOM 0 HG21 VAL A 78 1.780 5.908 17.304 1.00 11.44 H new ATOM 0 HG22 VAL A 78 1.350 6.197 15.602 1.00 11.44 H new ATOM 0 HG23 VAL A 78 2.382 4.814 16.036 1.00 11.44 H new ATOM 1212 N ILE A 79 4.893 8.706 13.861 1.00 74.13 N ATOM 1213 CA ILE A 79 5.964 9.673 13.659 1.00 40.34 C ATOM 1214 C ILE A 79 5.748 10.919 14.511 1.00 21.25 C ATOM 1215 O ILE A 79 4.659 11.492 14.525 1.00 14.54 O ATOM 1216 CB ILE A 79 6.075 10.090 12.180 1.00 13.11 C ATOM 1217 CG1 ILE A 79 6.140 8.853 11.282 1.00 24.23 C ATOM 1218 CG2 ILE A 79 7.297 10.970 11.968 1.00 2.51 C ATOM 1219 CD1 ILE A 79 6.089 9.175 9.805 1.00 33.42 C ATOM 0 H ILE A 79 3.997 8.978 13.456 1.00 74.13 H new ATOM 0 HA ILE A 79 6.890 9.185 13.961 1.00 40.34 H new ATOM 0 HB ILE A 79 5.188 10.664 11.912 1.00 13.11 H new ATOM 0 HG12 ILE A 79 7.059 8.307 11.495 1.00 24.23 H new ATOM 0 HG13 ILE A 79 5.311 8.190 11.530 1.00 24.23 H new ATOM 0 HG21 ILE A 79 7.362 11.256 10.918 1.00 2.51 H new ATOM 0 HG22 ILE A 79 7.212 11.865 12.584 1.00 2.51 H new ATOM 0 HG23 ILE A 79 8.195 10.420 12.250 1.00 2.51 H new ATOM 0 HD11 ILE A 79 6.139 8.251 9.229 1.00 33.42 H new ATOM 0 HD12 ILE A 79 5.158 9.694 9.578 1.00 33.42 H new ATOM 0 HD13 ILE A 79 6.933 9.813 9.542 1.00 33.42 H new ATOM 1231 N ILE A 80 6.793 11.332 15.220 1.00 44.52 N ATOM 1232 CA ILE A 80 6.719 12.512 16.073 1.00 52.00 C ATOM 1233 C ILE A 80 7.036 13.780 15.287 1.00 22.32 C ATOM 1234 O ILE A 80 8.010 13.829 14.536 1.00 10.13 O ATOM 1235 CB ILE A 80 7.686 12.406 17.267 1.00 63.45 C ATOM 1236 CG1 ILE A 80 7.574 11.027 17.921 1.00 14.10 C ATOM 1237 CG2 ILE A 80 7.400 13.504 18.280 1.00 63.13 C ATOM 1238 CD1 ILE A 80 6.177 10.699 18.401 1.00 24.44 C ATOM 0 H ILE A 80 7.701 10.867 15.221 1.00 44.52 H new ATOM 0 HA ILE A 80 5.697 12.566 16.448 1.00 52.00 H new ATOM 0 HB ILE A 80 8.705 12.533 16.902 1.00 63.45 H new ATOM 0 HG12 ILE A 80 7.892 10.268 17.206 1.00 14.10 H new ATOM 0 HG13 ILE A 80 8.261 10.977 18.766 1.00 14.10 H new ATOM 0 HG21 ILE A 80 8.092 13.415 19.118 1.00 63.13 H new ATOM 0 HG22 ILE A 80 7.526 14.478 17.807 1.00 63.13 H new ATOM 0 HG23 ILE A 80 6.377 13.407 18.643 1.00 63.13 H new ATOM 0 HD11 ILE A 80 6.171 9.707 18.854 1.00 24.44 H new ATOM 0 HD12 ILE A 80 5.863 11.437 19.140 1.00 24.44 H new ATOM 0 HD13 ILE A 80 5.489 10.716 17.556 1.00 24.44 H new ATOM 1250 N MET A 81 6.208 14.804 15.467 1.00 24.31 N ATOM 1251 CA MET A 81 6.403 16.074 14.777 1.00 71.40 C ATOM 1252 C MET A 81 6.094 17.247 15.701 1.00 41.41 C ATOM 1253 O MET A 81 4.998 17.345 16.253 1.00 14.02 O ATOM 1254 CB MET A 81 5.517 16.143 13.532 1.00 73.32 C ATOM 1255 CG MET A 81 5.335 17.552 12.993 1.00 43.35 C ATOM 1256 SD MET A 81 4.282 17.606 11.530 1.00 10.20 S ATOM 1257 CE MET A 81 2.713 17.093 12.224 1.00 14.10 C ATOM 0 H MET A 81 5.396 14.779 16.084 1.00 24.31 H new ATOM 0 HA MET A 81 7.448 16.138 14.474 1.00 71.40 H new ATOM 0 HB2 MET A 81 5.951 15.518 12.752 1.00 73.32 H new ATOM 0 HB3 MET A 81 4.539 15.724 13.769 1.00 73.32 H new ATOM 0 HG2 MET A 81 4.902 18.181 13.771 1.00 43.35 H new ATOM 0 HG3 MET A 81 6.311 17.972 12.749 1.00 43.35 H new ATOM 0 HE1 MET A 81 2.281 16.306 11.605 1.00 14.10 H new ATOM 0 HE2 MET A 81 2.868 16.716 13.235 1.00 14.10 H new ATOM 0 HE3 MET A 81 2.033 17.944 12.255 1.00 14.10 H new ATOM 1267 N THR A 82 7.068 18.137 15.866 1.00 51.43 N ATOM 1268 CA THR A 82 6.900 19.303 16.724 1.00 45.43 C ATOM 1269 C THR A 82 8.121 20.214 16.658 1.00 2.12 C ATOM 1270 O THR A 82 9.013 20.014 15.834 1.00 20.03 O ATOM 1271 CB THR A 82 6.658 18.893 18.188 1.00 23.05 C ATOM 1272 OG1 THR A 82 6.184 20.016 18.940 1.00 73.22 O ATOM 1273 CG2 THR A 82 7.935 18.358 18.819 1.00 62.23 C ATOM 0 H THR A 82 7.981 18.072 15.417 1.00 51.43 H new ATOM 0 HA THR A 82 6.027 19.843 16.357 1.00 45.43 H new ATOM 0 HB THR A 82 5.906 18.104 18.201 1.00 23.05 H new ATOM 0 HG1 THR A 82 6.601 20.015 19.827 1.00 73.22 H new ATOM 0 HG21 THR A 82 7.739 18.075 19.853 1.00 62.23 H new ATOM 0 HG22 THR A 82 8.278 17.486 18.263 1.00 62.23 H new ATOM 0 HG23 THR A 82 8.704 19.130 18.794 1.00 62.23 H new ATOM 1281 N ALA A 83 8.155 21.215 17.532 1.00 32.43 N ATOM 1282 CA ALA A 83 9.268 22.154 17.575 1.00 2.52 C ATOM 1283 C ALA A 83 10.164 21.889 18.780 1.00 4.30 C ATOM 1284 O ALA A 83 10.050 20.853 19.436 1.00 51.23 O ATOM 1285 CB ALA A 83 8.750 23.585 17.605 1.00 64.13 C ATOM 0 H ALA A 83 7.424 21.396 18.220 1.00 32.43 H new ATOM 0 HA ALA A 83 9.865 22.013 16.674 1.00 2.52 H new ATOM 0 HB1 ALA A 83 9.592 24.276 17.637 1.00 64.13 H new ATOM 0 HB2 ALA A 83 8.157 23.776 16.710 1.00 64.13 H new ATOM 0 HB3 ALA A 83 8.129 23.729 18.489 1.00 64.13 H new ATOM 1291 N HIS A 84 11.057 22.831 19.066 1.00 4.44 N ATOM 1292 CA HIS A 84 11.974 22.699 20.193 1.00 30.12 C ATOM 1293 C HIS A 84 11.217 22.351 21.471 1.00 12.34 C ATOM 1294 O HIS A 84 11.767 21.731 22.381 1.00 1.02 O ATOM 1295 CB HIS A 84 12.764 23.993 20.390 1.00 13.14 C ATOM 1296 CG HIS A 84 11.928 25.230 20.263 1.00 25.22 C ATOM 1297 ND1 HIS A 84 12.168 26.206 19.319 1.00 2.13 N ATOM 1298 CD2 HIS A 84 10.849 25.646 20.967 1.00 63.54 C ATOM 1299 CE1 HIS A 84 11.274 27.170 19.449 1.00 73.42 C ATOM 1300 NE2 HIS A 84 10.461 26.853 20.441 1.00 4.52 N ATOM 0 H HIS A 84 11.165 23.694 18.533 1.00 4.44 H new ATOM 0 HA HIS A 84 12.669 21.889 19.971 1.00 30.12 H new ATOM 0 HB2 HIS A 84 13.229 23.978 21.375 1.00 13.14 H new ATOM 0 HB3 HIS A 84 13.570 24.032 19.657 1.00 13.14 H new ATOM 0 HD2 HIS A 84 10.381 25.125 21.789 1.00 63.54 H new ATOM 0 HE1 HIS A 84 11.217 28.065 18.847 1.00 73.42 H new ATOM 0 HE2 HIS A 84 9.673 27.414 20.764 1.00 4.52 H new ATOM 1308 N SER A 85 9.952 22.756 21.533 1.00 62.10 N ATOM 1309 CA SER A 85 9.121 22.491 22.702 1.00 40.25 C ATOM 1310 C SER A 85 8.974 20.991 22.935 1.00 71.31 C ATOM 1311 O SER A 85 8.478 20.263 22.075 1.00 54.24 O ATOM 1312 CB SER A 85 7.742 23.129 22.528 1.00 55.44 C ATOM 1313 OG SER A 85 6.764 22.447 23.293 1.00 13.13 O ATOM 0 H SER A 85 9.481 23.269 20.788 1.00 62.10 H new ATOM 0 HA SER A 85 9.610 22.930 23.572 1.00 40.25 H new ATOM 0 HB2 SER A 85 7.781 24.175 22.832 1.00 55.44 H new ATOM 0 HB3 SER A 85 7.461 23.113 21.475 1.00 55.44 H new ATOM 0 HG SER A 85 6.697 22.859 24.180 1.00 13.13 H new ATOM 1319 N ASP A 86 9.409 20.535 24.104 1.00 30.04 N ATOM 1320 CA ASP A 86 9.326 19.121 24.453 1.00 15.52 C ATOM 1321 C ASP A 86 10.189 18.279 23.519 1.00 1.42 C ATOM 1322 O ASP A 86 9.926 17.094 23.313 1.00 74.02 O ATOM 1323 CB ASP A 86 7.874 18.644 24.394 1.00 55.51 C ATOM 1324 CG ASP A 86 7.390 18.094 25.721 1.00 2.54 C ATOM 1325 OD1 ASP A 86 7.200 18.895 26.661 1.00 62.32 O ATOM 1326 OD2 ASP A 86 7.203 16.864 25.821 1.00 33.42 O ATOM 0 H ASP A 86 9.823 21.124 24.827 1.00 30.04 H new ATOM 0 HA ASP A 86 9.699 19.001 25.470 1.00 15.52 H new ATOM 0 HB2 ASP A 86 7.234 19.474 24.093 1.00 55.51 H new ATOM 0 HB3 ASP A 86 7.779 17.874 23.629 1.00 55.51 H new ATOM 1331 N LEU A 87 11.220 18.899 22.956 1.00 3.21 N ATOM 1332 CA LEU A 87 12.123 18.207 22.043 1.00 50.35 C ATOM 1333 C LEU A 87 12.763 17.000 22.720 1.00 60.21 C ATOM 1334 O LEU A 87 13.216 16.069 22.053 1.00 12.12 O ATOM 1335 CB LEU A 87 13.209 19.163 21.546 1.00 2.11 C ATOM 1336 CG LEU A 87 14.407 18.515 20.851 1.00 52.15 C ATOM 1337 CD1 LEU A 87 13.978 17.866 19.544 1.00 42.45 C ATOM 1338 CD2 LEU A 87 15.501 19.543 20.604 1.00 0.40 C ATOM 0 H LEU A 87 11.452 19.879 23.116 1.00 3.21 H new ATOM 0 HA LEU A 87 11.540 17.856 21.192 1.00 50.35 H new ATOM 0 HB2 LEU A 87 12.753 19.871 20.854 1.00 2.11 H new ATOM 0 HB3 LEU A 87 13.575 19.738 22.396 1.00 2.11 H new ATOM 0 HG LEU A 87 14.806 17.740 21.505 1.00 52.15 H new ATOM 0 HD11 LEU A 87 14.843 17.410 19.063 1.00 42.45 H new ATOM 0 HD12 LEU A 87 13.230 17.100 19.747 1.00 42.45 H new ATOM 0 HD13 LEU A 87 13.553 18.623 18.884 1.00 42.45 H new ATOM 0 HD21 LEU A 87 16.345 19.064 20.109 1.00 0.40 H new ATOM 0 HD22 LEU A 87 15.114 20.341 19.970 1.00 0.40 H new ATOM 0 HD23 LEU A 87 15.828 19.962 21.556 1.00 0.40 H new ATOM 1350 N ASP A 88 12.795 17.021 24.048 1.00 41.12 N ATOM 1351 CA ASP A 88 13.377 15.926 24.816 1.00 15.52 C ATOM 1352 C ASP A 88 12.712 14.600 24.460 1.00 4.05 C ATOM 1353 O ASP A 88 13.330 13.540 24.556 1.00 1.04 O ATOM 1354 CB ASP A 88 13.235 16.196 26.315 1.00 23.01 C ATOM 1355 CG ASP A 88 14.174 17.284 26.799 1.00 72.03 C ATOM 1356 OD1 ASP A 88 13.998 18.448 26.382 1.00 42.15 O ATOM 1357 OD2 ASP A 88 15.083 16.972 27.595 1.00 64.40 O ATOM 0 H ASP A 88 12.425 17.784 24.615 1.00 41.12 H new ATOM 0 HA ASP A 88 14.436 15.860 24.565 1.00 15.52 H new ATOM 0 HB2 ASP A 88 12.207 16.484 26.534 1.00 23.01 H new ATOM 0 HB3 ASP A 88 13.433 15.277 26.867 1.00 23.01 H new ATOM 1362 N ALA A 89 11.450 14.667 24.050 1.00 0.35 N ATOM 1363 CA ALA A 89 10.702 13.472 23.680 1.00 45.23 C ATOM 1364 C ALA A 89 11.215 12.889 22.367 1.00 2.23 C ATOM 1365 O ALA A 89 11.012 11.710 22.080 1.00 40.03 O ATOM 1366 CB ALA A 89 9.218 13.790 23.574 1.00 22.43 C ATOM 0 H ALA A 89 10.924 15.537 23.966 1.00 0.35 H new ATOM 0 HA ALA A 89 10.847 12.726 24.461 1.00 45.23 H new ATOM 0 HB1 ALA A 89 8.672 12.888 23.297 1.00 22.43 H new ATOM 0 HB2 ALA A 89 8.854 14.154 24.535 1.00 22.43 H new ATOM 0 HB3 ALA A 89 9.063 14.556 22.814 1.00 22.43 H new ATOM 1372 N ALA A 90 11.880 13.723 21.574 1.00 1.14 N ATOM 1373 CA ALA A 90 12.423 13.289 20.293 1.00 52.51 C ATOM 1374 C ALA A 90 13.346 12.088 20.466 1.00 3.41 C ATOM 1375 O ALA A 90 13.468 11.252 19.571 1.00 41.11 O ATOM 1376 CB ALA A 90 13.164 14.435 19.619 1.00 71.30 C ATOM 0 H ALA A 90 12.055 14.703 21.796 1.00 1.14 H new ATOM 0 HA ALA A 90 11.591 12.985 19.658 1.00 52.51 H new ATOM 0 HB1 ALA A 90 13.565 14.097 18.663 1.00 71.30 H new ATOM 0 HB2 ALA A 90 12.477 15.264 19.452 1.00 71.30 H new ATOM 0 HB3 ALA A 90 13.982 14.765 20.259 1.00 71.30 H new ATOM 1382 N VAL A 91 13.996 12.009 21.623 1.00 11.11 N ATOM 1383 CA VAL A 91 14.909 10.910 21.914 1.00 75.23 C ATOM 1384 C VAL A 91 14.160 9.710 22.484 1.00 40.31 C ATOM 1385 O VAL A 91 14.242 8.604 21.951 1.00 74.23 O ATOM 1386 CB VAL A 91 16.004 11.338 22.908 1.00 31.43 C ATOM 1387 CG1 VAL A 91 17.065 10.255 23.033 1.00 34.52 C ATOM 1388 CG2 VAL A 91 16.626 12.658 22.479 1.00 22.24 C ATOM 0 H VAL A 91 13.907 12.693 22.374 1.00 11.11 H new ATOM 0 HA VAL A 91 15.376 10.628 20.970 1.00 75.23 H new ATOM 0 HB VAL A 91 15.546 11.479 23.887 1.00 31.43 H new ATOM 0 HG11 VAL A 91 17.830 10.575 23.740 1.00 34.52 H new ATOM 0 HG12 VAL A 91 16.604 9.334 23.390 1.00 34.52 H new ATOM 0 HG13 VAL A 91 17.521 10.079 22.059 1.00 34.52 H new ATOM 0 HG21 VAL A 91 17.398 12.946 23.193 1.00 22.24 H new ATOM 0 HG22 VAL A 91 17.070 12.547 21.490 1.00 22.24 H new ATOM 0 HG23 VAL A 91 15.856 13.429 22.447 1.00 22.24 H new ATOM 1398 N SER A 92 13.430 9.938 23.571 1.00 20.52 N ATOM 1399 CA SER A 92 12.669 8.875 24.217 1.00 73.53 C ATOM 1400 C SER A 92 11.783 8.151 23.207 1.00 31.32 C ATOM 1401 O SER A 92 11.623 6.932 23.267 1.00 51.01 O ATOM 1402 CB SER A 92 11.811 9.447 25.347 1.00 71.30 C ATOM 1403 OG SER A 92 12.358 10.657 25.840 1.00 5.11 O ATOM 0 H SER A 92 13.349 10.849 24.023 1.00 20.52 H new ATOM 0 HA SER A 92 13.376 8.158 24.635 1.00 73.53 H new ATOM 0 HB2 SER A 92 10.798 9.623 24.985 1.00 71.30 H new ATOM 0 HB3 SER A 92 11.739 8.721 26.156 1.00 71.30 H new ATOM 0 HG SER A 92 11.790 11.003 26.560 1.00 5.11 H new ATOM 1409 N ALA A 93 11.209 8.911 22.280 1.00 5.34 N ATOM 1410 CA ALA A 93 10.341 8.344 21.256 1.00 24.42 C ATOM 1411 C ALA A 93 11.021 7.179 20.545 1.00 70.43 C ATOM 1412 O ALA A 93 10.423 6.119 20.358 1.00 72.25 O ATOM 1413 CB ALA A 93 9.938 9.414 20.253 1.00 3.42 C ATOM 0 H ALA A 93 11.330 9.922 22.217 1.00 5.34 H new ATOM 0 HA ALA A 93 9.444 7.964 21.745 1.00 24.42 H new ATOM 0 HB1 ALA A 93 9.290 8.976 19.494 1.00 3.42 H new ATOM 0 HB2 ALA A 93 9.405 10.213 20.768 1.00 3.42 H new ATOM 0 HB3 ALA A 93 10.830 9.821 19.777 1.00 3.42 H new ATOM 1419 N TYR A 94 12.273 7.382 20.150 1.00 72.13 N ATOM 1420 CA TYR A 94 13.033 6.349 19.456 1.00 74.04 C ATOM 1421 C TYR A 94 13.127 5.082 20.300 1.00 31.10 C ATOM 1422 O TYR A 94 12.960 3.973 19.794 1.00 61.42 O ATOM 1423 CB TYR A 94 14.436 6.857 19.120 1.00 53.20 C ATOM 1424 CG TYR A 94 14.465 7.843 17.974 1.00 73.44 C ATOM 1425 CD1 TYR A 94 13.939 7.510 16.732 1.00 74.44 C ATOM 1426 CD2 TYR A 94 15.018 9.107 18.133 1.00 14.50 C ATOM 1427 CE1 TYR A 94 13.964 8.407 15.681 1.00 32.34 C ATOM 1428 CE2 TYR A 94 15.046 10.012 17.089 1.00 73.53 C ATOM 1429 CZ TYR A 94 14.518 9.656 15.865 1.00 41.31 C ATOM 1430 OH TYR A 94 14.544 10.553 14.822 1.00 52.24 O ATOM 0 H TYR A 94 12.783 8.253 20.299 1.00 72.13 H new ATOM 0 HA TYR A 94 12.510 6.109 18.530 1.00 74.04 H new ATOM 0 HB2 TYR A 94 14.864 7.328 20.005 1.00 53.20 H new ATOM 0 HB3 TYR A 94 15.072 6.007 18.873 1.00 53.20 H new ATOM 0 HD1 TYR A 94 13.503 6.533 16.585 1.00 74.44 H new ATOM 0 HD2 TYR A 94 15.434 9.388 19.090 1.00 14.50 H new ATOM 0 HE1 TYR A 94 13.552 8.131 14.721 1.00 32.34 H new ATOM 0 HE2 TYR A 94 15.478 10.992 17.230 1.00 73.53 H new ATOM 0 HH TYR A 94 14.967 11.386 15.118 1.00 52.24 H new ATOM 1440 N GLN A 95 13.395 5.257 21.590 1.00 72.00 N ATOM 1441 CA GLN A 95 13.511 4.128 22.506 1.00 45.15 C ATOM 1442 C GLN A 95 12.161 3.448 22.706 1.00 62.11 C ATOM 1443 O GLN A 95 12.096 2.263 23.030 1.00 34.35 O ATOM 1444 CB GLN A 95 14.067 4.592 23.853 1.00 11.50 C ATOM 1445 CG GLN A 95 15.404 5.308 23.746 1.00 60.30 C ATOM 1446 CD GLN A 95 16.568 4.349 23.589 1.00 52.04 C ATOM 1447 OE1 GLN A 95 16.621 3.307 24.242 1.00 22.30 O ATOM 1448 NE2 GLN A 95 17.508 4.697 22.718 1.00 22.01 N ATOM 0 H GLN A 95 13.536 6.169 22.024 1.00 72.00 H new ATOM 0 HA GLN A 95 14.199 3.406 22.067 1.00 45.15 H new ATOM 0 HB2 GLN A 95 13.345 5.258 24.325 1.00 11.50 H new ATOM 0 HB3 GLN A 95 14.179 3.728 24.508 1.00 11.50 H new ATOM 0 HG2 GLN A 95 15.381 5.988 22.894 1.00 60.30 H new ATOM 0 HG3 GLN A 95 15.558 5.918 24.636 1.00 60.30 H new ATOM 0 HE21 GLN A 95 17.423 5.570 22.198 1.00 22.01 H new ATOM 0 HE22 GLN A 95 18.315 4.091 22.569 1.00 22.01 H new ATOM 1457 N GLN A 96 11.087 4.206 22.511 1.00 43.44 N ATOM 1458 CA GLN A 96 9.739 3.676 22.671 1.00 33.03 C ATOM 1459 C GLN A 96 9.296 2.927 21.419 1.00 74.20 C ATOM 1460 O GLN A 96 8.339 2.154 21.452 1.00 52.14 O ATOM 1461 CB GLN A 96 8.756 4.808 22.978 1.00 60.54 C ATOM 1462 CG GLN A 96 8.151 4.728 24.370 1.00 70.21 C ATOM 1463 CD GLN A 96 7.392 5.984 24.749 1.00 3.24 C ATOM 1464 OE1 GLN A 96 7.703 6.633 25.749 1.00 44.25 O ATOM 1465 NE2 GLN A 96 6.390 6.335 23.952 1.00 62.33 N ATOM 0 H GLN A 96 11.125 5.189 22.242 1.00 43.44 H new ATOM 0 HA GLN A 96 9.748 2.976 23.506 1.00 33.03 H new ATOM 0 HB2 GLN A 96 9.269 5.763 22.868 1.00 60.54 H new ATOM 0 HB3 GLN A 96 7.953 4.791 22.241 1.00 60.54 H new ATOM 0 HG2 GLN A 96 7.478 3.872 24.421 1.00 70.21 H new ATOM 0 HG3 GLN A 96 8.944 4.554 25.097 1.00 70.21 H new ATOM 0 HE21 GLN A 96 6.167 5.768 23.134 1.00 62.33 H new ATOM 0 HE22 GLN A 96 5.844 7.171 24.158 1.00 62.33 H new ATOM 1474 N GLY A 97 9.998 3.161 20.315 1.00 44.51 N ATOM 1475 CA GLY A 97 9.662 2.502 19.067 1.00 71.40 C ATOM 1476 C GLY A 97 9.241 3.480 17.989 1.00 41.43 C ATOM 1477 O GLY A 97 8.506 3.123 17.069 1.00 33.21 O ATOM 0 H GLY A 97 10.794 3.796 20.263 1.00 44.51 H new ATOM 0 HA2 GLY A 97 10.522 1.931 18.719 1.00 71.40 H new ATOM 0 HA3 GLY A 97 8.856 1.790 19.242 1.00 71.40 H new ATOM 1481 N ALA A 98 9.707 4.720 18.102 1.00 23.22 N ATOM 1482 CA ALA A 98 9.375 5.753 17.129 1.00 21.01 C ATOM 1483 C ALA A 98 10.023 5.464 15.779 1.00 14.21 C ATOM 1484 O ALA A 98 10.961 4.672 15.686 1.00 52.31 O ATOM 1485 CB ALA A 98 9.806 7.119 17.642 1.00 40.11 C ATOM 0 H ALA A 98 10.316 5.033 18.858 1.00 23.22 H new ATOM 0 HA ALA A 98 8.294 5.754 16.991 1.00 21.01 H new ATOM 0 HB1 ALA A 98 9.552 7.881 16.905 1.00 40.11 H new ATOM 0 HB2 ALA A 98 9.292 7.334 18.579 1.00 40.11 H new ATOM 0 HB3 ALA A 98 10.883 7.121 17.810 1.00 40.11 H new ATOM 1491 N PHE A 99 9.516 6.111 14.735 1.00 73.45 N ATOM 1492 CA PHE A 99 10.044 5.922 13.389 1.00 70.45 C ATOM 1493 C PHE A 99 11.070 6.999 13.051 1.00 44.01 C ATOM 1494 O PHE A 99 12.216 6.697 12.715 1.00 74.14 O ATOM 1495 CB PHE A 99 8.908 5.945 12.364 1.00 72.31 C ATOM 1496 CG PHE A 99 9.302 5.403 11.020 1.00 72.23 C ATOM 1497 CD1 PHE A 99 9.171 4.053 10.737 1.00 73.23 C ATOM 1498 CD2 PHE A 99 9.803 6.243 10.039 1.00 52.42 C ATOM 1499 CE1 PHE A 99 9.533 3.552 9.501 1.00 63.41 C ATOM 1500 CE2 PHE A 99 10.167 5.748 8.801 1.00 73.02 C ATOM 1501 CZ PHE A 99 10.031 4.400 8.531 1.00 13.33 C ATOM 0 H PHE A 99 8.740 6.771 14.795 1.00 73.45 H new ATOM 0 HA PHE A 99 10.537 4.951 13.353 1.00 70.45 H new ATOM 0 HB2 PHE A 99 8.070 5.364 12.749 1.00 72.31 H new ATOM 0 HB3 PHE A 99 8.558 6.970 12.245 1.00 72.31 H new ATOM 0 HD1 PHE A 99 8.782 3.385 11.491 1.00 73.23 H new ATOM 0 HD2 PHE A 99 9.910 7.298 10.244 1.00 52.42 H new ATOM 0 HE1 PHE A 99 9.427 2.497 9.293 1.00 63.41 H new ATOM 0 HE2 PHE A 99 10.557 6.414 8.046 1.00 73.02 H new ATOM 0 HZ PHE A 99 10.313 4.010 7.564 1.00 13.33 H new ATOM 1511 N ASP A 100 10.651 8.256 13.142 1.00 3.25 N ATOM 1512 CA ASP A 100 11.533 9.380 12.848 1.00 61.45 C ATOM 1513 C ASP A 100 10.944 10.685 13.372 1.00 0.33 C ATOM 1514 O ASP A 100 9.827 10.710 13.890 1.00 40.43 O ATOM 1515 CB ASP A 100 11.775 9.484 11.341 1.00 71.11 C ATOM 1516 CG ASP A 100 13.129 8.938 10.933 1.00 72.55 C ATOM 1517 OD1 ASP A 100 14.153 9.522 11.343 1.00 3.31 O ATOM 1518 OD2 ASP A 100 13.164 7.925 10.203 1.00 31.32 O ATOM 0 H ASP A 100 9.706 8.523 13.417 1.00 3.25 H new ATOM 0 HA ASP A 100 12.484 9.205 13.350 1.00 61.45 H new ATOM 0 HB2 ASP A 100 10.993 8.940 10.812 1.00 71.11 H new ATOM 0 HB3 ASP A 100 11.700 10.528 11.035 1.00 71.11 H new ATOM 1523 N TYR A 101 11.703 11.767 13.236 1.00 14.25 N ATOM 1524 CA TYR A 101 11.257 13.076 13.700 1.00 23.11 C ATOM 1525 C TYR A 101 11.157 14.060 12.539 1.00 51.13 C ATOM 1526 O TYR A 101 12.169 14.485 11.980 1.00 1.20 O ATOM 1527 CB TYR A 101 12.217 13.618 14.761 1.00 34.00 C ATOM 1528 CG TYR A 101 11.726 14.881 15.432 1.00 20.34 C ATOM 1529 CD1 TYR A 101 10.454 14.946 15.989 1.00 62.05 C ATOM 1530 CD2 TYR A 101 12.533 16.009 15.510 1.00 24.30 C ATOM 1531 CE1 TYR A 101 10.001 16.098 16.602 1.00 23.24 C ATOM 1532 CE2 TYR A 101 12.089 17.164 16.123 1.00 4.22 C ATOM 1533 CZ TYR A 101 10.823 17.204 16.668 1.00 73.13 C ATOM 1534 OH TYR A 101 10.376 18.353 17.278 1.00 2.51 O ATOM 0 H TYR A 101 12.629 11.764 12.809 1.00 14.25 H new ATOM 0 HA TYR A 101 10.267 12.960 14.140 1.00 23.11 H new ATOM 0 HB2 TYR A 101 12.377 12.852 15.520 1.00 34.00 H new ATOM 0 HB3 TYR A 101 13.184 13.815 14.298 1.00 34.00 H new ATOM 0 HD1 TYR A 101 9.809 14.081 15.942 1.00 62.05 H new ATOM 0 HD2 TYR A 101 13.525 15.982 15.084 1.00 24.30 H new ATOM 0 HE1 TYR A 101 9.009 16.133 17.027 1.00 23.24 H new ATOM 0 HE2 TYR A 101 12.730 18.032 16.175 1.00 4.22 H new ATOM 0 HH TYR A 101 10.229 19.047 16.601 1.00 2.51 H new ATOM 1544 N LEU A 102 9.929 14.419 12.181 1.00 61.14 N ATOM 1545 CA LEU A 102 9.694 15.354 11.086 1.00 52.11 C ATOM 1546 C LEU A 102 9.110 16.664 11.605 1.00 42.31 C ATOM 1547 O LEU A 102 7.915 16.933 11.478 1.00 4.45 O ATOM 1548 CB LEU A 102 8.749 14.735 10.054 1.00 2.12 C ATOM 1549 CG LEU A 102 8.695 15.429 8.693 1.00 72.24 C ATOM 1550 CD1 LEU A 102 10.080 15.486 8.067 1.00 12.31 C ATOM 1551 CD2 LEU A 102 7.719 14.714 7.769 1.00 45.34 C ATOM 0 H LEU A 102 9.081 14.077 12.633 1.00 61.14 H new ATOM 0 HA LEU A 102 10.652 15.567 10.611 1.00 52.11 H new ATOM 0 HB2 LEU A 102 9.042 13.697 9.899 1.00 2.12 H new ATOM 0 HB3 LEU A 102 7.743 14.723 10.473 1.00 2.12 H new ATOM 0 HG LEU A 102 8.344 16.450 8.841 1.00 72.24 H new ATOM 0 HD11 LEU A 102 10.022 15.983 7.099 1.00 12.31 H new ATOM 0 HD12 LEU A 102 10.752 16.042 8.721 1.00 12.31 H new ATOM 0 HD13 LEU A 102 10.460 14.473 7.932 1.00 12.31 H new ATOM 0 HD21 LEU A 102 7.693 15.221 6.805 1.00 45.34 H new ATOM 0 HD22 LEU A 102 8.041 13.682 7.628 1.00 45.34 H new ATOM 0 HD23 LEU A 102 6.723 14.726 8.212 1.00 45.34 H new ATOM 1563 N PRO A 103 9.972 17.501 12.202 1.00 41.03 N ATOM 1564 CA PRO A 103 9.565 18.799 12.749 1.00 22.53 C ATOM 1565 C PRO A 103 9.198 19.799 11.658 1.00 34.44 C ATOM 1566 O PRO A 103 9.750 19.765 10.559 1.00 63.13 O ATOM 1567 CB PRO A 103 10.808 19.269 13.509 1.00 63.52 C ATOM 1568 CG PRO A 103 11.945 18.575 12.841 1.00 41.44 C ATOM 1569 CD PRO A 103 11.410 17.245 12.387 1.00 3.23 C ATOM 0 HA PRO A 103 8.674 18.718 13.371 1.00 22.53 H new ATOM 0 HB2 PRO A 103 10.919 20.352 13.456 1.00 63.52 H new ATOM 0 HB3 PRO A 103 10.749 19.006 14.565 1.00 63.52 H new ATOM 0 HG2 PRO A 103 12.314 19.156 11.996 1.00 41.44 H new ATOM 0 HG3 PRO A 103 12.781 18.445 13.528 1.00 41.44 H new ATOM 0 HD2 PRO A 103 11.882 16.917 11.461 1.00 3.23 H new ATOM 0 HD3 PRO A 103 11.587 16.466 13.129 1.00 3.23 H new ATOM 1577 N LYS A 104 8.262 20.689 11.969 1.00 33.15 N ATOM 1578 CA LYS A 104 7.821 21.701 11.017 1.00 73.23 C ATOM 1579 C LYS A 104 8.535 23.026 11.261 1.00 41.10 C ATOM 1580 O LYS A 104 8.976 23.326 12.371 1.00 62.23 O ATOM 1581 CB LYS A 104 6.307 21.899 11.117 1.00 54.44 C ATOM 1582 CG LYS A 104 5.823 22.189 12.527 1.00 51.31 C ATOM 1583 CD LYS A 104 5.176 23.561 12.624 1.00 70.24 C ATOM 1584 CE LYS A 104 3.942 23.533 13.512 1.00 12.51 C ATOM 1585 NZ LYS A 104 3.628 24.879 14.067 1.00 51.31 N ATOM 0 H LYS A 104 7.794 20.730 12.874 1.00 33.15 H new ATOM 0 HA LYS A 104 8.071 21.354 10.014 1.00 73.23 H new ATOM 0 HB2 LYS A 104 6.013 22.721 10.465 1.00 54.44 H new ATOM 0 HB3 LYS A 104 5.807 21.004 10.747 1.00 54.44 H new ATOM 0 HG2 LYS A 104 5.107 21.426 12.831 1.00 51.31 H new ATOM 0 HG3 LYS A 104 6.663 22.132 13.220 1.00 51.31 H new ATOM 0 HD2 LYS A 104 5.896 24.277 13.022 1.00 70.24 H new ATOM 0 HD3 LYS A 104 4.901 23.906 11.627 1.00 70.24 H new ATOM 0 HE2 LYS A 104 3.090 23.169 12.938 1.00 12.51 H new ATOM 0 HE3 LYS A 104 4.099 22.830 14.330 1.00 12.51 H new ATOM 0 HZ1 LYS A 104 2.781 24.818 14.667 1.00 51.31 H new ATOM 0 HZ2 LYS A 104 4.431 25.216 14.635 1.00 51.31 H new ATOM 0 HZ3 LYS A 104 3.453 25.544 13.287 1.00 51.31 H new ATOM 1599 N PRO A 105 8.652 23.841 10.202 1.00 71.54 N ATOM 1600 CA PRO A 105 8.131 23.494 8.876 1.00 43.23 C ATOM 1601 C PRO A 105 8.921 22.367 8.219 1.00 33.45 C ATOM 1602 O PRO A 105 10.151 22.344 8.272 1.00 35.00 O ATOM 1603 CB PRO A 105 8.292 24.793 8.081 1.00 25.42 C ATOM 1604 CG PRO A 105 9.405 25.516 8.759 1.00 71.33 C ATOM 1605 CD PRO A 105 9.302 25.162 10.217 1.00 75.15 C ATOM 0 HA PRO A 105 7.104 23.131 8.924 1.00 43.23 H new ATOM 0 HB2 PRO A 105 8.529 24.591 7.036 1.00 25.42 H new ATOM 0 HB3 PRO A 105 7.374 25.380 8.092 1.00 25.42 H new ATOM 0 HG2 PRO A 105 10.370 25.216 8.352 1.00 71.33 H new ATOM 0 HG3 PRO A 105 9.318 26.592 8.612 1.00 71.33 H new ATOM 0 HD2 PRO A 105 10.283 25.122 10.691 1.00 75.15 H new ATOM 0 HD3 PRO A 105 8.711 25.894 10.768 1.00 75.15 H new ATOM 1613 N PHE A 106 8.206 21.432 7.601 1.00 0.31 N ATOM 1614 CA PHE A 106 8.840 20.301 6.935 1.00 63.04 C ATOM 1615 C PHE A 106 8.440 20.242 5.463 1.00 1.42 C ATOM 1616 O PHE A 106 7.444 20.839 5.056 1.00 54.54 O ATOM 1617 CB PHE A 106 8.459 18.993 7.631 1.00 65.32 C ATOM 1618 CG PHE A 106 7.048 18.557 7.358 1.00 1.30 C ATOM 1619 CD1 PHE A 106 6.754 17.762 6.262 1.00 0.01 C ATOM 1620 CD2 PHE A 106 6.016 18.943 8.198 1.00 74.33 C ATOM 1621 CE1 PHE A 106 5.456 17.361 6.009 1.00 60.35 C ATOM 1622 CE2 PHE A 106 4.716 18.544 7.949 1.00 14.14 C ATOM 1623 CZ PHE A 106 4.436 17.751 6.854 1.00 52.12 C ATOM 0 H PHE A 106 7.187 21.436 7.548 1.00 0.31 H new ATOM 0 HA PHE A 106 9.920 20.435 6.995 1.00 63.04 H new ATOM 0 HB2 PHE A 106 9.142 18.207 7.309 1.00 65.32 H new ATOM 0 HB3 PHE A 106 8.593 19.111 8.706 1.00 65.32 H new ATOM 0 HD1 PHE A 106 7.548 17.452 5.598 1.00 0.01 H new ATOM 0 HD2 PHE A 106 6.229 19.562 9.057 1.00 74.33 H new ATOM 0 HE1 PHE A 106 5.239 16.743 5.150 1.00 60.35 H new ATOM 0 HE2 PHE A 106 3.920 18.852 8.611 1.00 14.14 H new ATOM 0 HZ PHE A 106 3.421 17.436 6.659 1.00 52.12 H new ATOM 1633 N ASP A 107 9.224 19.519 4.672 1.00 45.45 N ATOM 1634 CA ASP A 107 8.953 19.382 3.245 1.00 31.44 C ATOM 1635 C ASP A 107 8.067 18.169 2.976 1.00 43.15 C ATOM 1636 O ASP A 107 8.498 17.026 3.133 1.00 44.44 O ATOM 1637 CB ASP A 107 10.262 19.256 2.465 1.00 42.31 C ATOM 1638 CG ASP A 107 10.492 20.426 1.528 1.00 73.55 C ATOM 1639 OD1 ASP A 107 9.646 20.645 0.636 1.00 53.41 O ATOM 1640 OD2 ASP A 107 11.518 21.120 1.685 1.00 53.20 O ATOM 0 H ASP A 107 10.052 19.018 4.994 1.00 45.45 H new ATOM 0 HA ASP A 107 8.426 20.276 2.912 1.00 31.44 H new ATOM 0 HB2 ASP A 107 11.094 19.186 3.166 1.00 42.31 H new ATOM 0 HB3 ASP A 107 10.251 18.330 1.890 1.00 42.31 H new ATOM 1645 N ILE A 108 6.828 18.426 2.570 1.00 4.31 N ATOM 1646 CA ILE A 108 5.883 17.356 2.279 1.00 71.13 C ATOM 1647 C ILE A 108 6.488 16.333 1.323 1.00 53.21 C ATOM 1648 O ILE A 108 6.102 15.164 1.323 1.00 53.12 O ATOM 1649 CB ILE A 108 4.581 17.906 1.667 1.00 33.14 C ATOM 1650 CG1 ILE A 108 4.830 18.399 0.241 1.00 60.04 C ATOM 1651 CG2 ILE A 108 4.022 19.027 2.531 1.00 4.01 C ATOM 1652 CD1 ILE A 108 5.696 19.637 0.172 1.00 41.22 C ATOM 0 H ILE A 108 6.456 19.366 2.435 1.00 4.31 H new ATOM 0 HA ILE A 108 5.653 16.872 3.228 1.00 71.13 H new ATOM 0 HB ILE A 108 3.847 17.101 1.630 1.00 33.14 H new ATOM 0 HG12 ILE A 108 5.303 17.602 -0.333 1.00 60.04 H new ATOM 0 HG13 ILE A 108 3.872 18.609 -0.235 1.00 60.04 H new ATOM 0 HG21 ILE A 108 3.102 19.405 2.086 1.00 4.01 H new ATOM 0 HG22 ILE A 108 3.811 18.646 3.530 1.00 4.01 H new ATOM 0 HG23 ILE A 108 4.752 19.834 2.597 1.00 4.01 H new ATOM 0 HD11 ILE A 108 5.830 19.929 -0.869 1.00 41.22 H new ATOM 0 HD12 ILE A 108 5.215 20.449 0.718 1.00 41.22 H new ATOM 0 HD13 ILE A 108 6.668 19.426 0.618 1.00 41.22 H new ATOM 1664 N ASP A 109 7.439 16.781 0.511 1.00 71.02 N ATOM 1665 CA ASP A 109 8.100 15.904 -0.449 1.00 2.33 C ATOM 1666 C ASP A 109 8.742 14.713 0.256 1.00 3.40 C ATOM 1667 O ASP A 109 8.758 13.602 -0.273 1.00 1.52 O ATOM 1668 CB ASP A 109 9.159 16.679 -1.235 1.00 10.45 C ATOM 1669 CG ASP A 109 8.549 17.670 -2.206 1.00 12.50 C ATOM 1670 OD1 ASP A 109 7.853 18.599 -1.746 1.00 54.41 O ATOM 1671 OD2 ASP A 109 8.767 17.517 -3.426 1.00 73.22 O ATOM 0 H ASP A 109 7.770 17.746 0.498 1.00 71.02 H new ATOM 0 HA ASP A 109 7.346 15.530 -1.142 1.00 2.33 H new ATOM 0 HB2 ASP A 109 9.808 17.210 -0.539 1.00 10.45 H new ATOM 0 HB3 ASP A 109 9.787 15.977 -1.784 1.00 10.45 H new ATOM 1676 N GLU A 110 9.272 14.954 1.451 1.00 15.55 N ATOM 1677 CA GLU A 110 9.917 13.902 2.227 1.00 74.50 C ATOM 1678 C GLU A 110 8.895 13.144 3.070 1.00 24.53 C ATOM 1679 O GLU A 110 9.122 11.997 3.456 1.00 12.12 O ATOM 1680 CB GLU A 110 11.001 14.494 3.130 1.00 71.23 C ATOM 1681 CG GLU A 110 12.061 13.489 3.547 1.00 21.43 C ATOM 1682 CD GLU A 110 13.458 14.079 3.544 1.00 70.31 C ATOM 1683 OE1 GLU A 110 13.686 15.066 4.274 1.00 52.32 O ATOM 1684 OE2 GLU A 110 14.323 13.554 2.812 1.00 73.20 O ATOM 0 H GLU A 110 9.267 15.869 1.903 1.00 15.55 H new ATOM 0 HA GLU A 110 10.378 13.203 1.530 1.00 74.50 H new ATOM 0 HB2 GLU A 110 11.482 15.323 2.610 1.00 71.23 H new ATOM 0 HB3 GLU A 110 10.532 14.907 4.023 1.00 71.23 H new ATOM 0 HG2 GLU A 110 11.830 13.116 4.545 1.00 21.43 H new ATOM 0 HG3 GLU A 110 12.031 12.633 2.872 1.00 21.43 H new ATOM 1691 N ALA A 111 7.771 13.793 3.353 1.00 40.23 N ATOM 1692 CA ALA A 111 6.714 13.181 4.149 1.00 43.24 C ATOM 1693 C ALA A 111 5.937 12.154 3.332 1.00 23.13 C ATOM 1694 O ALA A 111 5.687 11.040 3.793 1.00 2.14 O ATOM 1695 CB ALA A 111 5.775 14.249 4.689 1.00 73.01 C ATOM 0 H ALA A 111 7.568 14.743 3.043 1.00 40.23 H new ATOM 0 HA ALA A 111 7.178 12.663 4.988 1.00 43.24 H new ATOM 0 HB1 ALA A 111 4.991 13.778 5.281 1.00 73.01 H new ATOM 0 HB2 ALA A 111 6.335 14.943 5.315 1.00 73.01 H new ATOM 0 HB3 ALA A 111 5.325 14.792 3.858 1.00 73.01 H new ATOM 1701 N VAL A 112 5.557 12.536 2.117 1.00 31.51 N ATOM 1702 CA VAL A 112 4.808 11.647 1.236 1.00 2.12 C ATOM 1703 C VAL A 112 5.488 10.287 1.120 1.00 11.44 C ATOM 1704 O VAL A 112 4.825 9.250 1.103 1.00 4.50 O ATOM 1705 CB VAL A 112 4.653 12.253 -0.171 1.00 71.34 C ATOM 1706 CG1 VAL A 112 3.961 11.269 -1.103 1.00 11.03 C ATOM 1707 CG2 VAL A 112 3.887 13.565 -0.105 1.00 0.43 C ATOM 0 H VAL A 112 5.755 13.455 1.720 1.00 31.51 H new ATOM 0 HA VAL A 112 3.821 11.519 1.680 1.00 2.12 H new ATOM 0 HB VAL A 112 5.646 12.458 -0.570 1.00 71.34 H new ATOM 0 HG11 VAL A 112 3.860 11.715 -2.093 1.00 11.03 H new ATOM 0 HG12 VAL A 112 4.554 10.357 -1.174 1.00 11.03 H new ATOM 0 HG13 VAL A 112 2.973 11.030 -0.711 1.00 11.03 H new ATOM 0 HG21 VAL A 112 3.787 13.979 -1.108 1.00 0.43 H new ATOM 0 HG22 VAL A 112 2.897 13.387 0.315 1.00 0.43 H new ATOM 0 HG23 VAL A 112 4.427 14.270 0.526 1.00 0.43 H new ATOM 1717 N ALA A 113 6.814 10.300 1.042 1.00 65.22 N ATOM 1718 CA ALA A 113 7.585 9.067 0.930 1.00 13.43 C ATOM 1719 C ALA A 113 7.832 8.449 2.302 1.00 64.31 C ATOM 1720 O ALA A 113 8.055 7.243 2.419 1.00 4.04 O ATOM 1721 CB ALA A 113 8.905 9.333 0.223 1.00 63.44 C ATOM 0 H ALA A 113 7.377 11.150 1.054 1.00 65.22 H new ATOM 0 HA ALA A 113 7.006 8.357 0.339 1.00 13.43 H new ATOM 0 HB1 ALA A 113 9.470 8.404 0.146 1.00 63.44 H new ATOM 0 HB2 ALA A 113 8.711 9.723 -0.776 1.00 63.44 H new ATOM 0 HB3 ALA A 113 9.482 10.063 0.791 1.00 63.44 H new ATOM 1727 N LEU A 114 7.793 9.281 3.337 1.00 75.43 N ATOM 1728 CA LEU A 114 8.013 8.815 4.702 1.00 44.15 C ATOM 1729 C LEU A 114 6.787 8.079 5.231 1.00 14.52 C ATOM 1730 O LEU A 114 6.900 7.181 6.065 1.00 4.11 O ATOM 1731 CB LEU A 114 8.349 9.995 5.616 1.00 71.23 C ATOM 1732 CG LEU A 114 8.328 9.707 7.117 1.00 1.34 C ATOM 1733 CD1 LEU A 114 9.566 8.925 7.528 1.00 33.32 C ATOM 1734 CD2 LEU A 114 8.228 11.004 7.907 1.00 3.23 C ATOM 0 H LEU A 114 7.611 10.281 3.257 1.00 75.43 H new ATOM 0 HA LEU A 114 8.853 8.120 4.692 1.00 44.15 H new ATOM 0 HB2 LEU A 114 9.340 10.364 5.351 1.00 71.23 H new ATOM 0 HB3 LEU A 114 7.644 10.800 5.411 1.00 71.23 H new ATOM 0 HG LEU A 114 7.450 9.100 7.339 1.00 1.34 H new ATOM 0 HD11 LEU A 114 9.534 8.729 8.600 1.00 33.32 H new ATOM 0 HD12 LEU A 114 9.595 7.979 6.987 1.00 33.32 H new ATOM 0 HD13 LEU A 114 10.458 9.505 7.292 1.00 33.32 H new ATOM 0 HD21 LEU A 114 8.214 10.780 8.974 1.00 3.23 H new ATOM 0 HD22 LEU A 114 9.087 11.636 7.680 1.00 3.23 H new ATOM 0 HD23 LEU A 114 7.311 11.526 7.634 1.00 3.23 H new ATOM 1746 N VAL A 115 5.613 8.465 4.740 1.00 44.45 N ATOM 1747 CA VAL A 115 4.365 7.841 5.161 1.00 62.55 C ATOM 1748 C VAL A 115 4.345 6.359 4.803 1.00 33.42 C ATOM 1749 O VAL A 115 3.954 5.520 5.615 1.00 44.22 O ATOM 1750 CB VAL A 115 3.147 8.530 4.517 1.00 65.54 C ATOM 1751 CG1 VAL A 115 1.861 7.822 4.914 1.00 21.31 C ATOM 1752 CG2 VAL A 115 3.099 9.999 4.907 1.00 45.25 C ATOM 0 H VAL A 115 5.501 9.208 4.050 1.00 44.45 H new ATOM 0 HA VAL A 115 4.305 7.952 6.244 1.00 62.55 H new ATOM 0 HB VAL A 115 3.247 8.468 3.433 1.00 65.54 H new ATOM 0 HG11 VAL A 115 1.012 8.323 4.450 1.00 21.31 H new ATOM 0 HG12 VAL A 115 1.898 6.785 4.579 1.00 21.31 H new ATOM 0 HG13 VAL A 115 1.750 7.850 5.998 1.00 21.31 H new ATOM 0 HG21 VAL A 115 2.232 10.470 4.443 1.00 45.25 H new ATOM 0 HG22 VAL A 115 3.023 10.085 5.991 1.00 45.25 H new ATOM 0 HG23 VAL A 115 4.008 10.496 4.567 1.00 45.25 H new ATOM 1762 N GLU A 116 4.768 6.044 3.583 1.00 22.30 N ATOM 1763 CA GLU A 116 4.798 4.662 3.118 1.00 31.24 C ATOM 1764 C GLU A 116 6.066 3.956 3.590 1.00 42.41 C ATOM 1765 O GLU A 116 6.129 2.727 3.625 1.00 0.42 O ATOM 1766 CB GLU A 116 4.711 4.612 1.592 1.00 71.24 C ATOM 1767 CG GLU A 116 5.736 5.491 0.894 1.00 32.44 C ATOM 1768 CD GLU A 116 6.345 4.823 -0.323 1.00 54.14 C ATOM 1769 OE1 GLU A 116 6.568 3.596 -0.278 1.00 62.53 O ATOM 1770 OE2 GLU A 116 6.597 5.529 -1.322 1.00 50.32 O ATOM 0 H GLU A 116 5.095 6.727 2.899 1.00 22.30 H new ATOM 0 HA GLU A 116 3.937 4.145 3.541 1.00 31.24 H new ATOM 0 HB2 GLU A 116 4.844 3.582 1.263 1.00 71.24 H new ATOM 0 HB3 GLU A 116 3.712 4.919 1.283 1.00 71.24 H new ATOM 0 HG2 GLU A 116 5.263 6.425 0.592 1.00 32.44 H new ATOM 0 HG3 GLU A 116 6.528 5.748 1.597 1.00 32.44 H new ATOM 1777 N ARG A 117 7.075 4.743 3.951 1.00 54.35 N ATOM 1778 CA ARG A 117 8.342 4.195 4.418 1.00 1.20 C ATOM 1779 C ARG A 117 8.111 3.093 5.448 1.00 50.03 C ATOM 1780 O ARG A 117 8.718 2.025 5.375 1.00 73.10 O ATOM 1781 CB ARG A 117 9.208 5.301 5.025 1.00 53.15 C ATOM 1782 CG ARG A 117 10.515 5.528 4.282 1.00 34.22 C ATOM 1783 CD ARG A 117 11.703 5.516 5.231 1.00 62.04 C ATOM 1784 NE ARG A 117 12.974 5.603 4.516 1.00 22.34 N ATOM 1785 CZ ARG A 117 14.149 5.740 5.121 1.00 60.21 C ATOM 1786 NH1 ARG A 117 14.214 5.805 6.444 1.00 61.14 N ATOM 1787 NH2 ARG A 117 15.262 5.811 4.402 1.00 1.51 N ATOM 0 H ARG A 117 7.039 5.762 3.929 1.00 54.35 H new ATOM 0 HA ARG A 117 8.861 3.765 3.561 1.00 1.20 H new ATOM 0 HB2 ARG A 117 8.640 6.231 5.036 1.00 53.15 H new ATOM 0 HB3 ARG A 117 9.428 5.050 6.063 1.00 53.15 H new ATOM 0 HG2 ARG A 117 10.644 4.754 3.525 1.00 34.22 H new ATOM 0 HG3 ARG A 117 10.476 6.483 3.758 1.00 34.22 H new ATOM 0 HD2 ARG A 117 11.620 6.351 5.927 1.00 62.04 H new ATOM 0 HD3 ARG A 117 11.683 4.603 5.826 1.00 62.04 H new ATOM 0 HE ARG A 117 12.959 5.556 3.497 1.00 22.34 H new ATOM 0 HH11 ARG A 117 13.361 5.750 7.000 1.00 61.14 H new ATOM 0 HH12 ARG A 117 15.117 5.910 6.906 1.00 61.14 H new ATOM 0 HH21 ARG A 117 15.216 5.760 3.384 1.00 1.51 H new ATOM 0 HH22 ARG A 117 16.164 5.916 4.867 1.00 1.51 H new ATOM 1801 N ALA A 118 7.230 3.361 6.406 1.00 1.01 N ATOM 1802 CA ALA A 118 6.918 2.392 7.449 1.00 11.14 C ATOM 1803 C ALA A 118 5.851 1.408 6.983 1.00 70.43 C ATOM 1804 O ALA A 118 5.933 0.211 7.262 1.00 51.14 O ATOM 1805 CB ALA A 118 6.463 3.106 8.714 1.00 42.13 C ATOM 0 H ALA A 118 6.720 4.241 6.481 1.00 1.01 H new ATOM 0 HA ALA A 118 7.824 1.828 7.669 1.00 11.14 H new ATOM 0 HB1 ALA A 118 6.233 2.370 9.485 1.00 42.13 H new ATOM 0 HB2 ALA A 118 7.257 3.764 9.066 1.00 42.13 H new ATOM 0 HB3 ALA A 118 5.572 3.696 8.498 1.00 42.13 H new ATOM 1811 N ILE A 119 4.851 1.919 6.272 1.00 21.33 N ATOM 1812 CA ILE A 119 3.769 1.083 5.767 1.00 14.52 C ATOM 1813 C ILE A 119 4.308 -0.056 4.909 1.00 31.14 C ATOM 1814 O ILE A 119 3.668 -1.098 4.770 1.00 71.22 O ATOM 1815 CB ILE A 119 2.764 1.905 4.937 1.00 22.34 C ATOM 1816 CG1 ILE A 119 2.207 3.062 5.769 1.00 25.25 C ATOM 1817 CG2 ILE A 119 1.637 1.014 4.438 1.00 74.03 C ATOM 1818 CD1 ILE A 119 1.509 4.119 4.943 1.00 2.12 C ATOM 0 H ILE A 119 4.768 2.907 6.033 1.00 21.33 H new ATOM 0 HA ILE A 119 3.258 0.669 6.636 1.00 14.52 H new ATOM 0 HB ILE A 119 3.283 2.321 4.073 1.00 22.34 H new ATOM 0 HG12 ILE A 119 1.507 2.666 6.504 1.00 25.25 H new ATOM 0 HG13 ILE A 119 3.023 3.526 6.323 1.00 25.25 H new ATOM 0 HG21 ILE A 119 0.935 1.608 3.853 1.00 74.03 H new ATOM 0 HG22 ILE A 119 2.049 0.221 3.814 1.00 74.03 H new ATOM 0 HG23 ILE A 119 1.118 0.573 5.289 1.00 74.03 H new ATOM 0 HD11 ILE A 119 1.140 4.908 5.598 1.00 2.12 H new ATOM 0 HD12 ILE A 119 2.212 4.543 4.225 1.00 2.12 H new ATOM 0 HD13 ILE A 119 0.672 3.669 4.409 1.00 2.12 H new ATOM 1830 N SER A 120 5.490 0.149 4.338 1.00 43.11 N ATOM 1831 CA SER A 120 6.116 -0.860 3.492 1.00 72.43 C ATOM 1832 C SER A 120 6.425 -2.123 4.290 1.00 3.15 C ATOM 1833 O SER A 120 6.455 -3.226 3.744 1.00 42.14 O ATOM 1834 CB SER A 120 7.400 -0.310 2.869 1.00 40.32 C ATOM 1835 OG SER A 120 8.521 -0.570 3.696 1.00 15.14 O ATOM 0 H SER A 120 6.034 1.005 4.446 1.00 43.11 H new ATOM 0 HA SER A 120 5.416 -1.116 2.697 1.00 72.43 H new ATOM 0 HB2 SER A 120 7.555 -0.762 1.889 1.00 40.32 H new ATOM 0 HB3 SER A 120 7.301 0.764 2.713 1.00 40.32 H new ATOM 0 HG SER A 120 8.672 0.193 4.292 1.00 15.14 H new ATOM 1841 N HIS A 121 6.655 -1.953 5.589 1.00 42.24 N ATOM 1842 CA HIS A 121 6.962 -3.078 6.465 1.00 42.14 C ATOM 1843 C HIS A 121 5.685 -3.783 6.911 1.00 30.01 C ATOM 1844 O HIS A 121 5.675 -4.996 7.122 1.00 60.11 O ATOM 1845 CB HIS A 121 7.749 -2.601 7.686 1.00 71.02 C ATOM 1846 CG HIS A 121 8.026 -3.686 8.681 1.00 43.34 C ATOM 1847 ND1 HIS A 121 8.742 -4.824 8.373 1.00 12.33 N ATOM 1848 CD2 HIS A 121 7.681 -3.801 9.984 1.00 3.44 C ATOM 1849 CE1 HIS A 121 8.823 -5.593 9.444 1.00 4.55 C ATOM 1850 NE2 HIS A 121 8.188 -4.994 10.436 1.00 23.21 N ATOM 0 H HIS A 121 6.634 -1.047 6.057 1.00 42.24 H new ATOM 0 HA HIS A 121 7.571 -3.788 5.905 1.00 42.14 H new ATOM 0 HB2 HIS A 121 8.695 -2.174 7.354 1.00 71.02 H new ATOM 0 HB3 HIS A 121 7.193 -1.802 8.177 1.00 71.02 H new ATOM 0 HD2 HIS A 121 7.112 -3.087 10.561 1.00 3.44 H new ATOM 0 HE1 HIS A 121 9.323 -6.549 9.499 1.00 4.55 H new ATOM 0 HE2 HIS A 121 8.090 -5.359 11.384 1.00 23.21 H new ATOM 1858 N TYR A 122 4.610 -3.015 7.054 1.00 64.40 N ATOM 1859 CA TYR A 122 3.329 -3.566 7.479 1.00 52.04 C ATOM 1860 C TYR A 122 2.425 -3.832 6.278 1.00 3.52 C ATOM 1861 O TYR A 122 1.225 -3.562 6.320 1.00 3.10 O ATOM 1862 CB TYR A 122 2.636 -2.610 8.451 1.00 40.43 C ATOM 1863 CG TYR A 122 3.531 -2.132 9.572 1.00 44.14 C ATOM 1864 CD1 TYR A 122 3.712 -2.898 10.717 1.00 43.22 C ATOM 1865 CD2 TYR A 122 4.196 -0.915 9.486 1.00 14.41 C ATOM 1866 CE1 TYR A 122 4.529 -2.465 11.744 1.00 71.22 C ATOM 1867 CE2 TYR A 122 5.015 -0.475 10.507 1.00 2.24 C ATOM 1868 CZ TYR A 122 5.178 -1.253 11.634 1.00 24.42 C ATOM 1869 OH TYR A 122 5.993 -0.818 12.654 1.00 31.14 O ATOM 0 H TYR A 122 4.601 -2.010 6.882 1.00 64.40 H new ATOM 0 HA TYR A 122 3.519 -4.513 7.985 1.00 52.04 H new ATOM 0 HB2 TYR A 122 2.268 -1.746 7.897 1.00 40.43 H new ATOM 0 HB3 TYR A 122 1.766 -3.108 8.879 1.00 40.43 H new ATOM 0 HD1 TYR A 122 3.206 -3.848 10.806 1.00 43.22 H new ATOM 0 HD2 TYR A 122 4.070 -0.303 8.605 1.00 14.41 H new ATOM 0 HE1 TYR A 122 4.659 -3.072 12.628 1.00 71.22 H new ATOM 0 HE2 TYR A 122 5.525 0.473 10.423 1.00 2.24 H new ATOM 0 HH TYR A 122 6.375 0.053 12.419 1.00 31.14 H new ATOM 1879 N GLN A 123 3.012 -4.362 5.210 1.00 21.43 N ATOM 1880 CA GLN A 123 2.261 -4.665 3.998 1.00 52.32 C ATOM 1881 C GLN A 123 1.098 -5.604 4.298 1.00 33.41 C ATOM 1882 O GLN A 123 1.111 -6.323 5.297 1.00 53.11 O ATOM 1883 CB GLN A 123 3.179 -5.290 2.946 1.00 30.44 C ATOM 1884 CG GLN A 123 3.879 -6.553 3.423 1.00 14.15 C ATOM 1885 CD GLN A 123 5.225 -6.760 2.759 1.00 62.51 C ATOM 1886 OE1 GLN A 123 5.743 -5.868 2.088 1.00 44.34 O ATOM 1887 NE2 GLN A 123 5.800 -7.943 2.943 1.00 63.24 N ATOM 0 H GLN A 123 4.005 -4.590 5.160 1.00 21.43 H new ATOM 0 HA GLN A 123 1.858 -3.730 3.608 1.00 52.32 H new ATOM 0 HB2 GLN A 123 2.593 -5.523 2.057 1.00 30.44 H new ATOM 0 HB3 GLN A 123 3.930 -4.558 2.650 1.00 30.44 H new ATOM 0 HG2 GLN A 123 4.015 -6.503 4.503 1.00 14.15 H new ATOM 0 HG3 GLN A 123 3.243 -7.415 3.222 1.00 14.15 H new ATOM 0 HE21 GLN A 123 5.335 -8.654 3.507 1.00 63.24 H new ATOM 0 HE22 GLN A 123 6.707 -8.141 2.520 1.00 63.24 H new ATOM 1896 N GLU A 124 0.094 -5.593 3.427 1.00 55.50 N ATOM 1897 CA GLU A 124 -1.078 -6.443 3.601 1.00 62.41 C ATOM 1898 C GLU A 124 -0.882 -7.788 2.906 1.00 41.44 C ATOM 1899 O GLU A 124 -0.736 -7.851 1.685 1.00 0.35 O ATOM 1900 CB GLU A 124 -2.326 -5.750 3.051 1.00 1.42 C ATOM 1901 CG GLU A 124 -2.841 -4.630 3.940 1.00 40.13 C ATOM 1902 CD GLU A 124 -2.839 -3.284 3.242 1.00 53.32 C ATOM 1903 OE1 GLU A 124 -3.093 -3.248 2.020 1.00 42.03 O ATOM 1904 OE2 GLU A 124 -2.585 -2.265 3.919 1.00 64.52 O ATOM 0 H GLU A 124 0.069 -5.005 2.594 1.00 55.50 H new ATOM 0 HA GLU A 124 -1.211 -6.620 4.668 1.00 62.41 H new ATOM 0 HB2 GLU A 124 -2.102 -5.345 2.064 1.00 1.42 H new ATOM 0 HB3 GLU A 124 -3.115 -6.491 2.920 1.00 1.42 H new ATOM 0 HG2 GLU A 124 -3.855 -4.865 4.264 1.00 40.13 H new ATOM 0 HG3 GLU A 124 -2.225 -4.571 4.837 1.00 40.13 H new TER 1911 GLU A 124