USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1018 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 SER OG : rot -58:sc= 0.1 USER MOD Set 1.2: A 71 HIS : no HE2:sc= -3.72 K(o=-3.6,f=-8.1!) USER MOD Set 2.1: A 12 THR OG1 : rot 180:sc= 0.0762 USER MOD Set 2.2: A 45 THR OG1 : rot 150:sc=0.000665 USER MOD Set 2.3: A 93 HIS : no HE2:sc= -3.71 K(o=-3.6,f=-5.5!) USER MOD Set 3.1: A 8 THR OG1 : rot -127:sc= -1.29 USER MOD Set 3.2: A 41 THR OG1 : rot 180:sc= -0.0463 USER MOD Set 3.3: A 80 HIS : no HD1:sc= -4.13! C(o=-5.5!,f=-5.2!) USER MOD Set 4.1: A 28 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Set 4.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 11 CYS SG : rot -72:sc= 1.08 USER MOD Set 5.2: A 18 SER OG : rot -170:sc= 1.01 USER MOD Single : A 6 HIS : no HE2:sc= -0.237 X(o=-0.24,f=-0.14) USER MOD Single : A 14 ASN : amide:sc= -4.22! C(o=-4.2!,f=-12!) USER MOD Single : A 16 CYS SG : rot 180:sc=-0.00362 USER MOD Single : A 20 MET CE :methyl 157:sc= -3.44 (180deg=-6.42!) USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= -9.66! (180deg=-11.1!) USER MOD Single : A 24 MET CE :methyl 164:sc= -0.868 (180deg=-1.39) USER MOD Single : A 27 GLN : amide:sc= -1.52! K(o=-1.5!,f=-0.34) USER MOD Single : A 31 HIS : no HD1:sc= -0.0215 X(o=-0.022,f=0.0016) USER MOD Single : A 47 ASN : amide:sc= -0.549 X(o=-0.55,f=-0.59) USER MOD Single : A 49 HIS : no HD1:sc= -0.437 X(o=-0.44,f=-0.076) USER MOD Single : A 52 SER OG : rot 180:sc= 0.116 USER MOD Single : A 53 CYS SG : rot 30:sc= 0.437 USER MOD Single : A 65 HIS : no HD1:sc= -1.48 K(o=-1.5,f=0.24) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -1.01 X(o=-1,f=-1.5) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.0632 K(o=-0.063,f=-1.3!) USER MOD Single : A 99 GLN : amide:sc= -0.437 K(o=-0.44,f=-2.2!) USER MOD Single : A 109 MET CE :methyl -136:sc= -0.751 (180deg=-3.57!) USER MOD Single : A 112 SER OG : rot -25:sc= 0.578 USER MOD Single : A 144 SER OG : rot -62:sc= 1.25 USER MOD Single : A 150 HIS : no HE2:sc= -5.51! C(o=-5.5!,f=-9.3!) USER MOD ----------------------------------------------------------------- ATOM 50 N PRO A 4 -6.116 20.828 -17.518 1.00 1.00 N ATOM 51 CA PRO A 4 -6.002 21.508 -16.227 1.00 1.00 C ATOM 52 C PRO A 4 -4.819 22.464 -16.131 1.00 1.00 C ATOM 53 O PRO A 4 -3.905 22.448 -16.954 1.00 1.00 O ATOM 54 CB PRO A 4 -5.826 20.363 -15.221 1.00 1.00 C ATOM 55 CG PRO A 4 -5.369 19.198 -16.022 1.00 1.00 C ATOM 56 CD PRO A 4 -5.958 19.371 -17.382 1.00 1.00 C ATOM 0 HA PRO A 4 -6.876 22.135 -16.051 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -5.096 20.623 -14.454 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -6.762 20.144 -14.708 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -4.281 19.162 -16.071 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -5.699 18.262 -15.571 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -5.304 18.966 -18.155 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -6.914 18.856 -17.472 1.00 1.00 H new ATOM 64 N LEU A 5 -4.848 23.275 -15.084 1.00 1.00 N ATOM 65 CA LEU A 5 -3.787 24.234 -14.794 1.00 1.00 C ATOM 66 C LEU A 5 -2.499 23.484 -14.445 1.00 1.00 C ATOM 67 O LEU A 5 -2.492 22.260 -14.345 1.00 1.00 O ATOM 68 CB LEU A 5 -4.230 25.101 -13.607 1.00 1.00 C ATOM 69 CG LEU A 5 -4.080 26.625 -13.735 1.00 1.00 C ATOM 70 CD1 LEU A 5 -2.622 27.040 -13.802 1.00 1.00 C ATOM 71 CD2 LEU A 5 -4.843 27.144 -14.942 1.00 1.00 C ATOM 0 H LEU A 5 -5.611 23.288 -14.407 1.00 1.00 H new ATOM 0 HA LEU A 5 -3.598 24.865 -15.663 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -5.279 24.884 -13.407 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -3.666 24.782 -12.731 1.00 1.00 H new ATOM 0 HG LEU A 5 -4.509 27.072 -12.838 1.00 1.00 H new ATOM 0 HD11 LEU A 5 -2.556 28.124 -13.892 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -2.110 26.720 -12.894 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -2.151 26.575 -14.668 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -4.722 28.225 -15.012 1.00 1.00 H new ATOM 0 HD22 LEU A 5 -4.455 26.676 -15.847 1.00 1.00 H new ATOM 0 HD23 LEU A 5 -5.901 26.904 -14.835 1.00 1.00 H new ATOM 83 N HIS A 6 -1.431 24.212 -14.203 1.00 1.00 N ATOM 84 CA HIS A 6 -0.158 23.599 -13.854 1.00 1.00 C ATOM 85 C HIS A 6 0.684 24.580 -13.071 1.00 1.00 C ATOM 86 O HIS A 6 1.299 25.469 -13.644 1.00 1.00 O ATOM 87 CB HIS A 6 0.605 23.162 -15.108 1.00 1.00 C ATOM 88 CG HIS A 6 1.249 21.813 -14.994 1.00 1.00 C ATOM 89 ND1 HIS A 6 1.736 21.117 -16.082 1.00 1.00 N ATOM 90 CD2 HIS A 6 1.504 21.037 -13.912 1.00 1.00 C ATOM 91 CE1 HIS A 6 2.264 19.978 -15.676 1.00 1.00 C ATOM 92 NE2 HIS A 6 2.138 19.902 -14.363 1.00 1.00 N ATOM 0 H HIS A 6 -1.414 25.231 -14.240 1.00 1.00 H new ATOM 0 HA HIS A 6 -0.361 22.717 -13.247 1.00 1.00 H new ATOM 0 HB2 HIS A 6 -0.082 23.154 -15.954 1.00 1.00 H new ATOM 0 HB3 HIS A 6 1.374 23.902 -15.329 1.00 1.00 H new ATOM 0 HD1 HIS A 6 1.694 21.434 -17.050 1.00 1.00 H new ATOM 0 HD2 HIS A 6 1.256 21.267 -12.886 1.00 1.00 H new ATOM 0 HE1 HIS A 6 2.722 19.233 -16.310 1.00 1.00 H new ATOM 101 N VAL A 7 0.683 24.440 -11.761 1.00 1.00 N ATOM 102 CA VAL A 7 1.503 25.306 -10.926 1.00 1.00 C ATOM 103 C VAL A 7 2.708 24.514 -10.466 1.00 1.00 C ATOM 104 O VAL A 7 2.551 23.451 -9.878 1.00 1.00 O ATOM 105 CB VAL A 7 0.772 25.831 -9.675 1.00 1.00 C ATOM 106 CG1 VAL A 7 1.440 27.087 -9.158 1.00 1.00 C ATOM 107 CG2 VAL A 7 -0.699 26.075 -9.941 1.00 1.00 C ATOM 0 H VAL A 7 0.134 23.747 -11.253 1.00 1.00 H new ATOM 0 HA VAL A 7 1.772 26.172 -11.530 1.00 1.00 H new ATOM 0 HB VAL A 7 0.838 25.059 -8.908 1.00 1.00 H new ATOM 0 HG11 VAL A 7 0.910 27.443 -8.275 1.00 1.00 H new ATOM 0 HG12 VAL A 7 2.475 26.867 -8.897 1.00 1.00 H new ATOM 0 HG13 VAL A 7 1.416 27.856 -9.930 1.00 1.00 H new ATOM 0 HG21 VAL A 7 -1.176 26.444 -9.033 1.00 1.00 H new ATOM 0 HG22 VAL A 7 -0.808 26.814 -10.735 1.00 1.00 H new ATOM 0 HG23 VAL A 7 -1.173 25.142 -10.247 1.00 1.00 H new ATOM 117 N THR A 8 3.894 24.946 -10.834 1.00 1.00 N ATOM 118 CA THR A 8 5.096 24.256 -10.413 1.00 1.00 C ATOM 119 C THR A 8 5.991 25.195 -9.593 1.00 1.00 C ATOM 120 O THR A 8 6.429 26.237 -10.071 1.00 1.00 O ATOM 121 CB THR A 8 5.843 23.652 -11.630 1.00 1.00 C ATOM 122 OG1 THR A 8 6.866 22.753 -11.190 1.00 1.00 O ATOM 123 CG2 THR A 8 6.459 24.719 -12.517 1.00 1.00 C ATOM 0 H THR A 8 4.053 25.766 -11.420 1.00 1.00 H new ATOM 0 HA THR A 8 4.816 23.423 -9.768 1.00 1.00 H new ATOM 0 HB THR A 8 5.102 23.113 -12.220 1.00 1.00 H new ATOM 0 HG1 THR A 8 7.720 23.003 -11.601 1.00 1.00 H new ATOM 0 HG21 THR A 8 6.970 24.245 -13.355 1.00 1.00 H new ATOM 0 HG22 THR A 8 5.675 25.375 -12.895 1.00 1.00 H new ATOM 0 HG23 THR A 8 7.175 25.304 -11.939 1.00 1.00 H new ATOM 131 N PHE A 9 6.150 24.887 -8.312 1.00 1.00 N ATOM 132 CA PHE A 9 6.947 25.731 -7.430 1.00 1.00 C ATOM 133 C PHE A 9 8.411 25.368 -7.540 1.00 1.00 C ATOM 134 O PHE A 9 8.776 24.194 -7.438 1.00 1.00 O ATOM 135 CB PHE A 9 6.507 25.594 -5.977 1.00 1.00 C ATOM 136 CG PHE A 9 5.068 25.245 -5.832 1.00 1.00 C ATOM 137 CD1 PHE A 9 4.082 26.180 -6.080 1.00 1.00 C ATOM 138 CD2 PHE A 9 4.706 23.970 -5.462 1.00 1.00 C ATOM 139 CE1 PHE A 9 2.760 25.844 -5.957 1.00 1.00 C ATOM 140 CE2 PHE A 9 3.386 23.628 -5.339 1.00 1.00 C ATOM 141 CZ PHE A 9 2.411 24.564 -5.587 1.00 1.00 C ATOM 0 H PHE A 9 5.742 24.067 -7.863 1.00 1.00 H new ATOM 0 HA PHE A 9 6.796 26.764 -7.743 1.00 1.00 H new ATOM 0 HB2 PHE A 9 7.111 24.827 -5.492 1.00 1.00 H new ATOM 0 HB3 PHE A 9 6.702 26.531 -5.455 1.00 1.00 H new ATOM 0 HD1 PHE A 9 4.355 27.183 -6.373 1.00 1.00 H new ATOM 0 HD2 PHE A 9 5.470 23.232 -5.267 1.00 1.00 H new ATOM 0 HE1 PHE A 9 1.994 26.580 -6.149 1.00 1.00 H new ATOM 0 HE2 PHE A 9 3.112 22.625 -5.048 1.00 1.00 H new ATOM 0 HZ PHE A 9 1.369 24.296 -5.492 1.00 1.00 H new ATOM 151 N VAL A 10 9.252 26.377 -7.674 1.00 1.00 N ATOM 152 CA VAL A 10 10.673 26.168 -7.861 1.00 1.00 C ATOM 153 C VAL A 10 11.491 26.804 -6.757 1.00 1.00 C ATOM 154 O VAL A 10 11.503 28.027 -6.584 1.00 1.00 O ATOM 155 CB VAL A 10 11.136 26.740 -9.207 1.00 1.00 C ATOM 156 CG1 VAL A 10 12.591 26.421 -9.454 1.00 1.00 C ATOM 157 CG2 VAL A 10 10.279 26.208 -10.334 1.00 1.00 C ATOM 0 H VAL A 10 8.971 27.357 -7.656 1.00 1.00 H new ATOM 0 HA VAL A 10 10.833 25.090 -7.839 1.00 1.00 H new ATOM 0 HB VAL A 10 11.026 27.824 -9.171 1.00 1.00 H new ATOM 0 HG11 VAL A 10 12.897 26.837 -10.414 1.00 1.00 H new ATOM 0 HG12 VAL A 10 13.199 26.856 -8.660 1.00 1.00 H new ATOM 0 HG13 VAL A 10 12.730 25.340 -9.466 1.00 1.00 H new ATOM 0 HG21 VAL A 10 10.623 26.625 -11.281 1.00 1.00 H new ATOM 0 HG22 VAL A 10 10.355 25.121 -10.367 1.00 1.00 H new ATOM 0 HG23 VAL A 10 9.240 26.494 -10.167 1.00 1.00 H new ATOM 167 N CYS A 11 12.229 25.971 -6.055 1.00 1.00 N ATOM 168 CA CYS A 11 13.095 26.440 -5.001 1.00 1.00 C ATOM 169 C CYS A 11 14.320 25.544 -4.898 1.00 1.00 C ATOM 170 O CYS A 11 14.341 24.440 -5.448 1.00 1.00 O ATOM 171 CB CYS A 11 12.347 26.464 -3.673 1.00 1.00 C ATOM 172 SG CYS A 11 11.935 24.832 -3.017 1.00 1.00 S ATOM 0 H CYS A 11 12.245 24.961 -6.198 1.00 1.00 H new ATOM 0 HA CYS A 11 13.418 27.454 -5.236 1.00 1.00 H new ATOM 0 HB2 CYS A 11 12.953 26.995 -2.939 1.00 1.00 H new ATOM 0 HB3 CYS A 11 11.427 27.034 -3.799 1.00 1.00 H new ATOM 0 HG CYS A 11 10.982 24.306 -3.728 1.00 1.00 H new ATOM 178 N THR A 12 15.351 26.027 -4.227 1.00 1.00 N ATOM 179 CA THR A 12 16.549 25.245 -4.030 1.00 1.00 C ATOM 180 C THR A 12 16.345 24.235 -2.908 1.00 1.00 C ATOM 181 O THR A 12 16.351 24.591 -1.729 1.00 1.00 O ATOM 182 CB THR A 12 17.745 26.157 -3.719 1.00 1.00 C ATOM 183 OG1 THR A 12 17.280 27.345 -3.061 1.00 1.00 O ATOM 184 CG2 THR A 12 18.485 26.528 -4.996 1.00 1.00 C ATOM 0 H THR A 12 15.378 26.958 -3.811 1.00 1.00 H new ATOM 0 HA THR A 12 16.761 24.703 -4.951 1.00 1.00 H new ATOM 0 HB THR A 12 18.435 25.622 -3.066 1.00 1.00 H new ATOM 0 HG1 THR A 12 18.042 27.927 -2.860 1.00 1.00 H new ATOM 0 HG21 THR A 12 19.328 27.174 -4.753 1.00 1.00 H new ATOM 0 HG22 THR A 12 18.850 25.623 -5.481 1.00 1.00 H new ATOM 0 HG23 THR A 12 17.808 27.053 -5.670 1.00 1.00 H new ATOM 192 N GLY A 13 16.010 23.010 -3.291 1.00 1.00 N ATOM 193 CA GLY A 13 15.801 21.961 -2.321 1.00 1.00 C ATOM 194 C GLY A 13 14.730 20.984 -2.755 1.00 1.00 C ATOM 195 O GLY A 13 14.841 19.806 -2.467 1.00 1.00 O ATOM 0 H GLY A 13 15.879 22.726 -4.262 1.00 1.00 H new ATOM 0 HA2 GLY A 13 16.736 21.425 -2.162 1.00 1.00 H new ATOM 0 HA3 GLY A 13 15.521 22.403 -1.365 1.00 1.00 H new ATOM 199 N ASN A 14 13.686 21.512 -3.413 1.00 1.00 N ATOM 200 CA ASN A 14 12.517 20.742 -3.928 1.00 1.00 C ATOM 201 C ASN A 14 11.888 19.800 -2.901 1.00 1.00 C ATOM 202 O ASN A 14 11.053 18.960 -3.250 1.00 1.00 O ATOM 203 CB ASN A 14 12.802 19.983 -5.253 1.00 1.00 C ATOM 204 CG ASN A 14 13.872 18.891 -5.202 1.00 1.00 C ATOM 205 OD1 ASN A 14 14.067 18.217 -4.202 1.00 1.00 O ATOM 206 ND2 ASN A 14 14.559 18.691 -6.316 1.00 1.00 N ATOM 0 H ASN A 14 13.619 22.510 -3.612 1.00 1.00 H new ATOM 0 HA ASN A 14 11.783 21.519 -4.144 1.00 1.00 H new ATOM 0 HB2 ASN A 14 11.870 19.531 -5.594 1.00 1.00 H new ATOM 0 HB3 ASN A 14 13.096 20.713 -6.007 1.00 1.00 H new ATOM 0 HD21 ASN A 14 15.270 17.961 -6.353 1.00 1.00 H new ATOM 0 HD22 ASN A 14 14.377 19.267 -7.138 1.00 1.00 H new ATOM 213 N ILE A 15 12.167 20.031 -1.629 1.00 1.00 N ATOM 214 CA ILE A 15 11.620 19.196 -0.572 1.00 1.00 C ATOM 215 C ILE A 15 11.118 20.018 0.606 1.00 1.00 C ATOM 216 O ILE A 15 10.553 19.468 1.542 1.00 1.00 O ATOM 217 CB ILE A 15 12.657 18.185 -0.061 1.00 1.00 C ATOM 218 CG1 ILE A 15 13.963 18.906 0.295 1.00 1.00 C ATOM 219 CG2 ILE A 15 12.890 17.116 -1.116 1.00 1.00 C ATOM 220 CD1 ILE A 15 14.768 18.211 1.368 1.00 1.00 C ATOM 0 H ILE A 15 12.768 20.788 -1.303 1.00 1.00 H new ATOM 0 HA ILE A 15 10.778 18.664 -1.015 1.00 1.00 H new ATOM 0 HB ILE A 15 12.283 17.702 0.842 1.00 1.00 H new ATOM 0 HG12 ILE A 15 14.574 18.997 -0.603 1.00 1.00 H new ATOM 0 HG13 ILE A 15 13.730 19.918 0.626 1.00 1.00 H new ATOM 0 HG21 ILE A 15 13.626 16.400 -0.752 1.00 1.00 H new ATOM 0 HG22 ILE A 15 11.953 16.600 -1.324 1.00 1.00 H new ATOM 0 HG23 ILE A 15 13.258 17.581 -2.030 1.00 1.00 H new ATOM 0 HD11 ILE A 15 15.677 18.779 1.566 1.00 1.00 H new ATOM 0 HD12 ILE A 15 14.176 18.144 2.281 1.00 1.00 H new ATOM 0 HD13 ILE A 15 15.033 17.208 1.032 1.00 1.00 H new ATOM 232 N CYS A 16 11.190 21.333 0.499 1.00 1.00 N ATOM 233 CA CYS A 16 10.760 22.185 1.594 1.00 1.00 C ATOM 234 C CYS A 16 9.657 23.148 1.157 1.00 1.00 C ATOM 235 O CYS A 16 8.488 22.781 1.156 1.00 1.00 O ATOM 236 CB CYS A 16 11.953 22.952 2.163 1.00 1.00 C ATOM 237 SG CYS A 16 11.551 24.013 3.569 1.00 1.00 S ATOM 0 H CYS A 16 11.537 21.829 -0.322 1.00 1.00 H new ATOM 0 HA CYS A 16 10.345 21.547 2.374 1.00 1.00 H new ATOM 0 HB2 CYS A 16 12.717 22.238 2.469 1.00 1.00 H new ATOM 0 HB3 CYS A 16 12.387 23.565 1.373 1.00 1.00 H new ATOM 0 HG CYS A 16 12.627 24.616 3.979 1.00 1.00 H new ATOM 243 N ARG A 17 10.053 24.298 0.624 1.00 1.00 N ATOM 244 CA ARG A 17 9.108 25.354 0.250 1.00 1.00 C ATOM 245 C ARG A 17 8.084 24.872 -0.786 1.00 1.00 C ATOM 246 O ARG A 17 6.869 24.935 -0.560 1.00 1.00 O ATOM 247 CB ARG A 17 9.878 26.552 -0.312 1.00 1.00 C ATOM 248 CG ARG A 17 11.026 27.023 0.575 1.00 1.00 C ATOM 249 CD ARG A 17 11.889 28.057 -0.135 1.00 1.00 C ATOM 250 NE ARG A 17 13.104 28.378 0.615 1.00 1.00 N ATOM 251 CZ ARG A 17 14.312 27.865 0.355 1.00 1.00 C ATOM 252 NH1 ARG A 17 14.473 26.955 -0.604 1.00 1.00 N ATOM 253 NH2 ARG A 17 15.358 28.271 1.060 1.00 1.00 N ATOM 0 H ARG A 17 11.029 24.528 0.438 1.00 1.00 H new ATOM 0 HA ARG A 17 8.560 25.642 1.147 1.00 1.00 H new ATOM 0 HB2 ARG A 17 10.275 26.288 -1.292 1.00 1.00 H new ATOM 0 HB3 ARG A 17 9.184 27.379 -0.461 1.00 1.00 H new ATOM 0 HG2 ARG A 17 10.626 27.451 1.494 1.00 1.00 H new ATOM 0 HG3 ARG A 17 11.640 26.169 0.862 1.00 1.00 H new ATOM 0 HD2 ARG A 17 12.162 27.683 -1.122 1.00 1.00 H new ATOM 0 HD3 ARG A 17 11.309 28.967 -0.289 1.00 1.00 H new ATOM 0 HE ARG A 17 13.024 29.038 1.389 1.00 1.00 H new ATOM 0 HH11 ARG A 17 13.670 26.642 -1.150 1.00 1.00 H new ATOM 0 HH12 ARG A 17 15.399 26.571 -0.793 1.00 1.00 H new ATOM 0 HH21 ARG A 17 15.238 28.969 1.794 1.00 1.00 H new ATOM 0 HH22 ARG A 17 16.283 27.885 0.869 1.00 1.00 H new ATOM 267 N SER A 18 8.594 24.380 -1.910 1.00 1.00 N ATOM 268 CA SER A 18 7.756 23.926 -3.014 1.00 1.00 C ATOM 269 C SER A 18 6.699 22.903 -2.568 1.00 1.00 C ATOM 270 O SER A 18 5.504 23.170 -2.693 1.00 1.00 O ATOM 271 CB SER A 18 8.627 23.354 -4.134 1.00 1.00 C ATOM 272 OG SER A 18 9.565 24.314 -4.593 1.00 1.00 O ATOM 0 H SER A 18 9.595 24.285 -2.081 1.00 1.00 H new ATOM 0 HA SER A 18 7.213 24.793 -3.389 1.00 1.00 H new ATOM 0 HB2 SER A 18 9.153 22.470 -3.774 1.00 1.00 H new ATOM 0 HB3 SER A 18 7.995 23.033 -4.962 1.00 1.00 H new ATOM 0 HG SER A 18 9.999 23.984 -5.407 1.00 1.00 H new ATOM 278 N PRO A 19 7.099 21.747 -1.989 1.00 1.00 N ATOM 279 CA PRO A 19 6.144 20.714 -1.579 1.00 1.00 C ATOM 280 C PRO A 19 5.187 21.180 -0.496 1.00 1.00 C ATOM 281 O PRO A 19 4.093 20.651 -0.378 1.00 1.00 O ATOM 282 CB PRO A 19 7.031 19.590 -1.049 1.00 1.00 C ATOM 283 CG PRO A 19 8.284 20.266 -0.655 1.00 1.00 C ATOM 284 CD PRO A 19 8.480 21.353 -1.665 1.00 1.00 C ATOM 0 HA PRO A 19 5.503 20.421 -2.410 1.00 1.00 H new ATOM 0 HB2 PRO A 19 6.568 19.085 -0.201 1.00 1.00 H new ATOM 0 HB3 PRO A 19 7.211 18.832 -1.812 1.00 1.00 H new ATOM 0 HG2 PRO A 19 8.211 20.674 0.353 1.00 1.00 H new ATOM 0 HG3 PRO A 19 9.124 19.571 -0.657 1.00 1.00 H new ATOM 0 HD2 PRO A 19 9.054 22.186 -1.258 1.00 1.00 H new ATOM 0 HD3 PRO A 19 9.016 20.997 -2.544 1.00 1.00 H new ATOM 292 N MET A 20 5.593 22.164 0.292 1.00 1.00 N ATOM 293 CA MET A 20 4.726 22.685 1.342 1.00 1.00 C ATOM 294 C MET A 20 3.455 23.261 0.739 1.00 1.00 C ATOM 295 O MET A 20 2.356 22.789 1.028 1.00 1.00 O ATOM 296 CB MET A 20 5.435 23.765 2.158 1.00 1.00 C ATOM 297 CG MET A 20 6.422 23.219 3.180 1.00 1.00 C ATOM 298 SD MET A 20 6.954 24.451 4.372 1.00 1.00 S ATOM 299 CE MET A 20 5.385 24.846 5.121 1.00 1.00 C ATOM 0 H MET A 20 6.506 22.614 0.228 1.00 1.00 H new ATOM 0 HA MET A 20 4.473 21.857 2.004 1.00 1.00 H new ATOM 0 HB2 MET A 20 5.964 24.432 1.477 1.00 1.00 H new ATOM 0 HB3 MET A 20 4.687 24.365 2.675 1.00 1.00 H new ATOM 0 HG2 MET A 20 5.963 22.384 3.709 1.00 1.00 H new ATOM 0 HG3 MET A 20 7.295 22.825 2.659 1.00 1.00 H new ATOM 0 HE1 MET A 20 5.551 25.260 6.115 1.00 1.00 H new ATOM 0 HE2 MET A 20 4.862 25.578 4.505 1.00 1.00 H new ATOM 0 HE3 MET A 20 4.782 23.942 5.201 1.00 1.00 H new ATOM 309 N ALA A 21 3.617 24.163 -0.216 1.00 1.00 N ATOM 310 CA ALA A 21 2.455 24.784 -0.847 1.00 1.00 C ATOM 311 C ALA A 21 1.757 23.789 -1.750 1.00 1.00 C ATOM 312 O ALA A 21 0.540 23.857 -1.942 1.00 1.00 O ATOM 313 CB ALA A 21 2.847 26.018 -1.632 1.00 1.00 C ATOM 0 H ALA A 21 4.521 24.479 -0.568 1.00 1.00 H new ATOM 0 HA ALA A 21 1.769 25.093 -0.058 1.00 1.00 H new ATOM 0 HB1 ALA A 21 1.959 26.456 -2.089 1.00 1.00 H new ATOM 0 HB2 ALA A 21 3.306 26.745 -0.962 1.00 1.00 H new ATOM 0 HB3 ALA A 21 3.558 25.743 -2.411 1.00 1.00 H new ATOM 319 N GLU A 22 2.535 22.831 -2.242 1.00 1.00 N ATOM 320 CA GLU A 22 2.033 21.793 -3.123 1.00 1.00 C ATOM 321 C GLU A 22 0.843 21.103 -2.467 1.00 1.00 C ATOM 322 O GLU A 22 -0.270 21.213 -2.935 1.00 1.00 O ATOM 323 CB GLU A 22 3.151 20.779 -3.414 1.00 1.00 C ATOM 324 CG GLU A 22 2.966 19.978 -4.694 1.00 1.00 C ATOM 325 CD GLU A 22 3.988 18.863 -4.837 1.00 1.00 C ATOM 326 OE1 GLU A 22 4.056 17.983 -3.951 1.00 1.00 O ATOM 327 OE2 GLU A 22 4.736 18.860 -5.835 1.00 1.00 O ATOM 0 H GLU A 22 3.532 22.756 -2.039 1.00 1.00 H new ATOM 0 HA GLU A 22 1.708 22.234 -4.065 1.00 1.00 H new ATOM 0 HB2 GLU A 22 4.100 21.312 -3.469 1.00 1.00 H new ATOM 0 HB3 GLU A 22 3.222 20.086 -2.575 1.00 1.00 H new ATOM 0 HG2 GLU A 22 1.963 19.551 -4.710 1.00 1.00 H new ATOM 0 HG3 GLU A 22 3.041 20.647 -5.551 1.00 1.00 H new ATOM 334 N LYS A 23 1.038 20.662 -1.245 1.00 1.00 N ATOM 335 CA LYS A 23 -0.012 19.920 -0.561 1.00 1.00 C ATOM 336 C LYS A 23 -0.968 20.863 0.146 1.00 1.00 C ATOM 337 O LYS A 23 -2.125 20.529 0.341 1.00 1.00 O ATOM 338 CB LYS A 23 0.565 18.882 0.407 1.00 1.00 C ATOM 339 CG LYS A 23 2.076 18.863 0.437 1.00 1.00 C ATOM 340 CD LYS A 23 2.639 17.489 0.721 1.00 1.00 C ATOM 341 CE LYS A 23 4.143 17.475 0.512 1.00 1.00 C ATOM 342 NZ LYS A 23 4.781 16.284 1.115 1.00 1.00 N ATOM 0 H LYS A 23 1.894 20.797 -0.708 1.00 1.00 H new ATOM 0 HA LYS A 23 -0.575 19.374 -1.318 1.00 1.00 H new ATOM 0 HB2 LYS A 23 0.192 19.085 1.411 1.00 1.00 H new ATOM 0 HB3 LYS A 23 0.202 17.893 0.126 1.00 1.00 H new ATOM 0 HG2 LYS A 23 2.458 19.216 -0.521 1.00 1.00 H new ATOM 0 HG3 LYS A 23 2.429 19.559 1.198 1.00 1.00 H new ATOM 0 HD2 LYS A 23 2.406 17.199 1.746 1.00 1.00 H new ATOM 0 HD3 LYS A 23 2.169 16.755 0.067 1.00 1.00 H new ATOM 0 HE2 LYS A 23 4.360 17.499 -0.556 1.00 1.00 H new ATOM 0 HE3 LYS A 23 4.577 18.376 0.946 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 5.690 16.101 0.644 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 4.944 16.453 2.128 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 4.158 15.460 0.998 1.00 1.00 H new ATOM 356 N MET A 24 -0.511 22.069 0.455 1.00 1.00 N ATOM 357 CA MET A 24 -1.348 23.037 1.144 1.00 1.00 C ATOM 358 C MET A 24 -2.549 23.464 0.300 1.00 1.00 C ATOM 359 O MET A 24 -3.670 22.978 0.495 1.00 1.00 O ATOM 360 CB MET A 24 -0.524 24.253 1.573 1.00 1.00 C ATOM 361 CG MET A 24 0.327 23.985 2.805 1.00 1.00 C ATOM 362 SD MET A 24 1.544 25.276 3.139 1.00 1.00 S ATOM 363 CE MET A 24 0.503 26.637 3.648 1.00 1.00 C ATOM 0 H MET A 24 0.430 22.398 0.240 1.00 1.00 H new ATOM 0 HA MET A 24 -1.741 22.549 2.036 1.00 1.00 H new ATOM 0 HB2 MET A 24 0.123 24.556 0.750 1.00 1.00 H new ATOM 0 HB3 MET A 24 -1.195 25.088 1.775 1.00 1.00 H new ATOM 0 HG2 MET A 24 -0.326 23.880 3.671 1.00 1.00 H new ATOM 0 HG3 MET A 24 0.844 23.034 2.679 1.00 1.00 H new ATOM 0 HE1 MET A 24 1.110 27.392 4.148 1.00 1.00 H new ATOM 0 HE2 MET A 24 0.026 27.077 2.773 1.00 1.00 H new ATOM 0 HE3 MET A 24 -0.262 26.273 4.334 1.00 1.00 H new ATOM 373 N PHE A 25 -2.316 24.309 -0.693 1.00 1.00 N ATOM 374 CA PHE A 25 -3.423 24.829 -1.475 1.00 1.00 C ATOM 375 C PHE A 25 -3.931 23.803 -2.471 1.00 1.00 C ATOM 376 O PHE A 25 -5.114 23.804 -2.802 1.00 1.00 O ATOM 377 CB PHE A 25 -3.054 26.141 -2.175 1.00 1.00 C ATOM 378 CG PHE A 25 -2.215 26.003 -3.402 1.00 1.00 C ATOM 379 CD1 PHE A 25 -2.796 25.797 -4.645 1.00 1.00 C ATOM 380 CD2 PHE A 25 -0.847 26.115 -3.317 1.00 1.00 C ATOM 381 CE1 PHE A 25 -2.014 25.697 -5.776 1.00 1.00 C ATOM 382 CE2 PHE A 25 -0.069 26.027 -4.438 1.00 1.00 C ATOM 383 CZ PHE A 25 -0.648 25.817 -5.667 1.00 1.00 C ATOM 0 H PHE A 25 -1.393 24.642 -0.971 1.00 1.00 H new ATOM 0 HA PHE A 25 -4.233 25.045 -0.779 1.00 1.00 H new ATOM 0 HB2 PHE A 25 -3.974 26.661 -2.442 1.00 1.00 H new ATOM 0 HB3 PHE A 25 -2.525 26.775 -1.464 1.00 1.00 H new ATOM 0 HD1 PHE A 25 -3.870 25.714 -4.727 1.00 1.00 H new ATOM 0 HD2 PHE A 25 -0.382 26.274 -2.355 1.00 1.00 H new ATOM 0 HE1 PHE A 25 -2.470 25.526 -6.740 1.00 1.00 H new ATOM 0 HE2 PHE A 25 1.004 26.123 -4.358 1.00 1.00 H new ATOM 0 HZ PHE A 25 -0.029 25.746 -6.549 1.00 1.00 H new ATOM 393 N ALA A 26 -3.060 22.924 -2.961 1.00 1.00 N ATOM 394 CA ALA A 26 -3.529 21.919 -3.917 1.00 1.00 C ATOM 395 C ALA A 26 -4.533 20.977 -3.269 1.00 1.00 C ATOM 396 O ALA A 26 -5.486 20.538 -3.916 1.00 1.00 O ATOM 397 CB ALA A 26 -2.403 21.144 -4.553 1.00 1.00 C ATOM 0 H ALA A 26 -2.068 22.883 -2.727 1.00 1.00 H new ATOM 0 HA ALA A 26 -4.026 22.464 -4.719 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -2.813 20.414 -5.252 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -1.746 21.830 -5.088 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -1.835 20.627 -3.780 1.00 1.00 H new ATOM 403 N GLN A 27 -4.309 20.643 -1.994 1.00 1.00 N ATOM 404 CA GLN A 27 -5.260 19.809 -1.275 1.00 1.00 C ATOM 405 C GLN A 27 -6.582 20.563 -1.173 1.00 1.00 C ATOM 406 O GLN A 27 -7.652 19.973 -1.295 1.00 1.00 O ATOM 407 CB GLN A 27 -4.737 19.397 0.110 1.00 1.00 C ATOM 408 CG GLN A 27 -5.136 20.326 1.252 1.00 1.00 C ATOM 409 CD GLN A 27 -6.092 19.682 2.238 1.00 1.00 C ATOM 410 OE1 GLN A 27 -6.939 20.349 2.828 1.00 1.00 O ATOM 411 NE2 GLN A 27 -5.957 18.380 2.430 1.00 1.00 N ATOM 0 H GLN A 27 -3.494 20.933 -1.453 1.00 1.00 H new ATOM 0 HA GLN A 27 -5.408 18.880 -1.826 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -5.099 18.394 0.335 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -3.649 19.342 0.069 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -4.239 20.647 1.782 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -5.599 21.222 0.838 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -5.242 17.861 1.921 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -6.568 17.895 3.087 1.00 1.00 H new ATOM 420 N GLN A 28 -6.491 21.884 -0.976 1.00 1.00 N ATOM 421 CA GLN A 28 -7.674 22.741 -0.964 1.00 1.00 C ATOM 422 C GLN A 28 -8.400 22.656 -2.305 1.00 1.00 C ATOM 423 O GLN A 28 -9.624 22.572 -2.350 1.00 1.00 O ATOM 424 CB GLN A 28 -7.294 24.197 -0.670 1.00 1.00 C ATOM 425 CG GLN A 28 -6.662 24.402 0.697 1.00 1.00 C ATOM 426 CD GLN A 28 -6.351 25.861 0.986 1.00 1.00 C ATOM 427 OE1 GLN A 28 -7.015 26.763 0.475 1.00 1.00 O ATOM 428 NE2 GLN A 28 -5.348 26.101 1.818 1.00 1.00 N ATOM 0 H GLN A 28 -5.612 22.378 -0.824 1.00 1.00 H new ATOM 0 HA GLN A 28 -8.337 22.391 -0.173 1.00 1.00 H new ATOM 0 HB2 GLN A 28 -6.600 24.544 -1.436 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -8.187 24.818 -0.744 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -7.334 24.019 1.465 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -5.743 23.820 0.759 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -4.822 25.325 2.220 1.00 1.00 H new ATOM 0 HE22 GLN A 28 -5.102 27.062 2.056 1.00 1.00 H new ATOM 437 N LEU A 29 -7.625 22.640 -3.389 1.00 1.00 N ATOM 438 CA LEU A 29 -8.177 22.559 -4.745 1.00 1.00 C ATOM 439 C LEU A 29 -9.036 21.314 -4.908 1.00 1.00 C ATOM 440 O LEU A 29 -10.206 21.396 -5.270 1.00 1.00 O ATOM 441 CB LEU A 29 -7.058 22.544 -5.790 1.00 1.00 C ATOM 442 CG LEU A 29 -6.084 23.714 -5.711 1.00 1.00 C ATOM 443 CD1 LEU A 29 -5.013 23.590 -6.780 1.00 1.00 C ATOM 444 CD2 LEU A 29 -6.823 25.038 -5.837 1.00 1.00 C ATOM 0 H LEU A 29 -6.606 22.682 -3.356 1.00 1.00 H new ATOM 0 HA LEU A 29 -8.797 23.442 -4.899 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -6.496 21.616 -5.685 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -7.509 22.533 -6.782 1.00 1.00 H new ATOM 0 HG LEU A 29 -5.597 23.690 -4.736 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -4.327 24.434 -6.708 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -4.461 22.661 -6.636 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -5.481 23.586 -7.765 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -6.110 25.860 -5.778 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -7.341 25.076 -6.795 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -7.548 25.128 -5.028 1.00 1.00 H new ATOM 456 N ARG A 30 -8.439 20.155 -4.708 1.00 1.00 N ATOM 457 CA ARG A 30 -9.186 18.914 -4.803 1.00 1.00 C ATOM 458 C ARG A 30 -10.338 18.895 -3.795 1.00 1.00 C ATOM 459 O ARG A 30 -11.406 18.366 -4.083 1.00 1.00 O ATOM 460 CB ARG A 30 -8.259 17.704 -4.644 1.00 1.00 C ATOM 461 CG ARG A 30 -7.369 17.753 -3.415 1.00 1.00 C ATOM 462 CD ARG A 30 -5.951 17.295 -3.729 1.00 1.00 C ATOM 463 NE ARG A 30 -5.893 15.903 -4.184 1.00 1.00 N ATOM 464 CZ ARG A 30 -4.974 15.020 -3.781 1.00 1.00 C ATOM 465 NH1 ARG A 30 -4.030 15.374 -2.909 1.00 1.00 N ATOM 466 NH2 ARG A 30 -4.993 13.780 -4.262 1.00 1.00 N ATOM 0 H ARG A 30 -7.451 20.046 -4.481 1.00 1.00 H new ATOM 0 HA ARG A 30 -9.627 18.850 -5.798 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -8.866 16.800 -4.602 1.00 1.00 H new ATOM 0 HB3 ARG A 30 -7.630 17.625 -5.530 1.00 1.00 H new ATOM 0 HG2 ARG A 30 -7.345 18.770 -3.023 1.00 1.00 H new ATOM 0 HG3 ARG A 30 -7.791 17.121 -2.634 1.00 1.00 H new ATOM 0 HD2 ARG A 30 -5.527 17.942 -4.497 1.00 1.00 H new ATOM 0 HD3 ARG A 30 -5.332 17.408 -2.839 1.00 1.00 H new ATOM 0 HE ARG A 30 -6.598 15.588 -4.850 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -4.005 16.326 -2.543 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -3.333 14.693 -2.607 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -5.707 13.505 -4.936 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -4.293 13.104 -3.957 1.00 1.00 H new ATOM 480 N HIS A 31 -10.123 19.503 -2.628 1.00 1.00 N ATOM 481 CA HIS A 31 -11.172 19.619 -1.607 1.00 1.00 C ATOM 482 C HIS A 31 -12.370 20.447 -2.082 1.00 1.00 C ATOM 483 O HIS A 31 -13.479 20.282 -1.577 1.00 1.00 O ATOM 484 CB HIS A 31 -10.613 20.222 -0.318 1.00 1.00 C ATOM 485 CG HIS A 31 -10.283 19.199 0.721 1.00 1.00 C ATOM 486 ND1 HIS A 31 -11.095 18.944 1.801 1.00 1.00 N ATOM 487 CD2 HIS A 31 -9.235 18.359 0.834 1.00 1.00 C ATOM 488 CE1 HIS A 31 -10.559 17.994 2.537 1.00 1.00 C ATOM 489 NE2 HIS A 31 -9.427 17.614 1.973 1.00 1.00 N ATOM 0 H HIS A 31 -9.232 19.924 -2.363 1.00 1.00 H new ATOM 0 HA HIS A 31 -11.525 18.606 -1.415 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -9.715 20.794 -0.553 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -11.340 20.924 0.091 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -8.399 18.285 0.155 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -10.975 17.592 3.449 1.00 1.00 H new ATOM 0 HE2 HIS A 31 -8.800 16.889 2.324 1.00 1.00 H new ATOM 498 N ARG A 32 -12.135 21.375 -3.008 1.00 1.00 N ATOM 499 CA ARG A 32 -13.229 22.198 -3.515 1.00 1.00 C ATOM 500 C ARG A 32 -13.772 21.608 -4.803 1.00 1.00 C ATOM 501 O ARG A 32 -14.823 22.014 -5.307 1.00 1.00 O ATOM 502 CB ARG A 32 -12.797 23.653 -3.695 1.00 1.00 C ATOM 503 CG ARG A 32 -11.449 23.828 -4.358 1.00 1.00 C ATOM 504 CD ARG A 32 -10.843 25.165 -3.995 1.00 1.00 C ATOM 505 NE ARG A 32 -10.772 25.345 -2.546 1.00 1.00 N ATOM 506 CZ ARG A 32 -11.020 26.493 -1.915 1.00 1.00 C ATOM 507 NH1 ARG A 32 -11.298 27.596 -2.602 1.00 1.00 N ATOM 508 NH2 ARG A 32 -10.980 26.537 -0.589 1.00 1.00 N ATOM 0 H ARG A 32 -11.220 21.573 -3.414 1.00 1.00 H new ATOM 0 HA ARG A 32 -14.032 22.199 -2.778 1.00 1.00 H new ATOM 0 HB2 ARG A 32 -13.550 24.172 -4.288 1.00 1.00 H new ATOM 0 HB3 ARG A 32 -12.773 24.135 -2.718 1.00 1.00 H new ATOM 0 HG2 ARG A 32 -10.780 23.025 -4.050 1.00 1.00 H new ATOM 0 HG3 ARG A 32 -11.558 23.755 -5.440 1.00 1.00 H new ATOM 0 HD2 ARG A 32 -9.843 25.240 -4.422 1.00 1.00 H new ATOM 0 HD3 ARG A 32 -11.438 25.966 -4.434 1.00 1.00 H new ATOM 0 HE ARG A 32 -10.515 24.537 -1.979 1.00 1.00 H new ATOM 0 HH11 ARG A 32 -11.323 27.569 -3.621 1.00 1.00 H new ATOM 0 HH12 ARG A 32 -11.486 28.469 -2.110 1.00 1.00 H new ATOM 0 HH21 ARG A 32 -10.760 25.695 -0.057 1.00 1.00 H new ATOM 0 HH22 ARG A 32 -11.169 27.413 -0.102 1.00 1.00 H new ATOM 522 N GLY A 33 -12.998 20.703 -5.369 1.00 1.00 N ATOM 523 CA GLY A 33 -13.412 20.021 -6.570 1.00 1.00 C ATOM 524 C GLY A 33 -12.755 20.604 -7.788 1.00 1.00 C ATOM 525 O GLY A 33 -13.389 20.759 -8.832 1.00 1.00 O ATOM 0 H GLY A 33 -12.082 20.426 -5.015 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -13.163 18.963 -6.493 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -14.495 20.087 -6.672 1.00 1.00 H new ATOM 529 N LEU A 34 -11.479 20.948 -7.653 1.00 1.00 N ATOM 530 CA LEU A 34 -10.731 21.554 -8.736 1.00 1.00 C ATOM 531 C LEU A 34 -9.386 20.854 -8.896 1.00 1.00 C ATOM 532 O LEU A 34 -8.563 21.265 -9.704 1.00 1.00 O ATOM 533 CB LEU A 34 -10.506 23.038 -8.440 1.00 1.00 C ATOM 534 CG LEU A 34 -11.769 23.824 -8.080 1.00 1.00 C ATOM 535 CD1 LEU A 34 -11.404 25.206 -7.573 1.00 1.00 C ATOM 536 CD2 LEU A 34 -12.700 23.923 -9.278 1.00 1.00 C ATOM 0 H LEU A 34 -10.943 20.814 -6.796 1.00 1.00 H new ATOM 0 HA LEU A 34 -11.299 21.451 -9.661 1.00 1.00 H new ATOM 0 HB2 LEU A 34 -9.795 23.126 -7.618 1.00 1.00 H new ATOM 0 HB3 LEU A 34 -10.044 23.501 -9.312 1.00 1.00 H new ATOM 0 HG LEU A 34 -12.292 23.291 -7.286 1.00 1.00 H new ATOM 0 HD11 LEU A 34 -12.313 25.753 -7.321 1.00 1.00 H new ATOM 0 HD12 LEU A 34 -10.778 25.114 -6.686 1.00 1.00 H new ATOM 0 HD13 LEU A 34 -10.859 25.745 -8.348 1.00 1.00 H new ATOM 0 HD21 LEU A 34 -13.591 24.485 -9.000 1.00 1.00 H new ATOM 0 HD22 LEU A 34 -12.189 24.433 -10.095 1.00 1.00 H new ATOM 0 HD23 LEU A 34 -12.988 22.922 -9.599 1.00 1.00 H new ATOM 548 N GLY A 35 -9.167 19.801 -8.107 1.00 1.00 N ATOM 549 CA GLY A 35 -7.918 19.051 -8.183 1.00 1.00 C ATOM 550 C GLY A 35 -7.638 18.529 -9.580 1.00 1.00 C ATOM 551 O GLY A 35 -6.486 18.311 -9.953 1.00 1.00 O ATOM 0 H GLY A 35 -9.832 19.453 -7.416 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -7.094 19.690 -7.866 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -7.958 18.213 -7.487 1.00 1.00 H new ATOM 555 N ASP A 36 -8.701 18.314 -10.344 1.00 1.00 N ATOM 556 CA ASP A 36 -8.571 17.883 -11.728 1.00 1.00 C ATOM 557 C ASP A 36 -8.528 19.077 -12.662 1.00 1.00 C ATOM 558 O ASP A 36 -8.057 18.972 -13.787 1.00 1.00 O ATOM 559 CB ASP A 36 -9.730 16.978 -12.132 1.00 1.00 C ATOM 560 CG ASP A 36 -9.629 15.601 -11.523 1.00 1.00 C ATOM 561 OD1 ASP A 36 -8.870 14.766 -12.063 1.00 1.00 O ATOM 562 OD2 ASP A 36 -10.311 15.346 -10.507 1.00 1.00 O ATOM 0 H ASP A 36 -9.663 18.431 -10.027 1.00 1.00 H new ATOM 0 HA ASP A 36 -7.638 17.326 -11.808 1.00 1.00 H new ATOM 0 HB2 ASP A 36 -10.670 17.439 -11.827 1.00 1.00 H new ATOM 0 HB3 ASP A 36 -9.756 16.890 -13.218 1.00 1.00 H new ATOM 567 N ALA A 37 -9.043 20.206 -12.194 1.00 1.00 N ATOM 568 CA ALA A 37 -9.095 21.420 -13.005 1.00 1.00 C ATOM 569 C ALA A 37 -7.754 22.150 -12.999 1.00 1.00 C ATOM 570 O ALA A 37 -7.452 22.930 -13.903 1.00 1.00 O ATOM 571 CB ALA A 37 -10.208 22.332 -12.512 1.00 1.00 C ATOM 0 H ALA A 37 -9.432 20.309 -11.257 1.00 1.00 H new ATOM 0 HA ALA A 37 -9.307 21.132 -14.035 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -10.237 23.234 -13.124 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -11.163 21.812 -12.585 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -10.022 22.604 -11.473 1.00 1.00 H new ATOM 577 N VAL A 38 -6.957 21.913 -11.966 1.00 1.00 N ATOM 578 CA VAL A 38 -5.656 22.539 -11.844 1.00 1.00 C ATOM 579 C VAL A 38 -4.648 21.564 -11.245 1.00 1.00 C ATOM 580 O VAL A 38 -4.877 20.978 -10.188 1.00 1.00 O ATOM 581 CB VAL A 38 -5.732 23.828 -10.982 1.00 1.00 C ATOM 582 CG1 VAL A 38 -6.694 23.651 -9.823 1.00 1.00 C ATOM 583 CG2 VAL A 38 -4.356 24.218 -10.468 1.00 1.00 C ATOM 0 H VAL A 38 -7.195 21.286 -11.197 1.00 1.00 H new ATOM 0 HA VAL A 38 -5.325 22.818 -12.844 1.00 1.00 H new ATOM 0 HB VAL A 38 -6.104 24.631 -11.618 1.00 1.00 H new ATOM 0 HG11 VAL A 38 -6.728 24.568 -9.235 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -7.690 23.429 -10.207 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -6.356 22.829 -9.192 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -4.435 25.124 -9.867 1.00 1.00 H new ATOM 0 HG22 VAL A 38 -3.954 23.411 -9.856 1.00 1.00 H new ATOM 0 HG23 VAL A 38 -3.690 24.400 -11.312 1.00 1.00 H new ATOM 593 N ARG A 39 -3.560 21.348 -11.963 1.00 1.00 N ATOM 594 CA ARG A 39 -2.522 20.449 -11.518 1.00 1.00 C ATOM 595 C ARG A 39 -1.475 21.235 -10.751 1.00 1.00 C ATOM 596 O ARG A 39 -1.095 22.336 -11.156 1.00 1.00 O ATOM 597 CB ARG A 39 -1.885 19.744 -12.715 1.00 1.00 C ATOM 598 CG ARG A 39 -2.881 18.972 -13.568 1.00 1.00 C ATOM 599 CD ARG A 39 -3.722 18.025 -12.724 1.00 1.00 C ATOM 600 NE ARG A 39 -4.316 16.937 -13.506 1.00 1.00 N ATOM 601 CZ ARG A 39 -5.284 16.133 -13.056 1.00 1.00 C ATOM 602 NH1 ARG A 39 -5.822 16.335 -11.860 1.00 1.00 N ATOM 603 NH2 ARG A 39 -5.723 15.132 -13.805 1.00 1.00 N ATOM 0 H ARG A 39 -3.376 21.790 -12.864 1.00 1.00 H new ATOM 0 HA ARG A 39 -2.954 19.691 -10.865 1.00 1.00 H new ATOM 0 HB2 ARG A 39 -1.384 20.485 -13.338 1.00 1.00 H new ATOM 0 HB3 ARG A 39 -1.118 19.058 -12.356 1.00 1.00 H new ATOM 0 HG2 ARG A 39 -3.533 19.672 -14.091 1.00 1.00 H new ATOM 0 HG3 ARG A 39 -2.346 18.405 -14.330 1.00 1.00 H new ATOM 0 HD2 ARG A 39 -3.101 17.601 -11.935 1.00 1.00 H new ATOM 0 HD3 ARG A 39 -4.516 18.590 -12.236 1.00 1.00 H new ATOM 0 HE ARG A 39 -3.969 16.784 -14.453 1.00 1.00 H new ATOM 0 HH11 ARG A 39 -5.497 17.107 -11.278 1.00 1.00 H new ATOM 0 HH12 ARG A 39 -6.561 15.718 -11.522 1.00 1.00 H new ATOM 0 HH21 ARG A 39 -5.322 14.973 -14.729 1.00 1.00 H new ATOM 0 HH22 ARG A 39 -6.462 14.521 -13.457 1.00 1.00 H new ATOM 617 N VAL A 40 -0.959 20.651 -9.690 1.00 1.00 N ATOM 618 CA VAL A 40 0.009 21.333 -8.862 1.00 1.00 C ATOM 619 C VAL A 40 1.228 20.446 -8.651 1.00 1.00 C ATOM 620 O VAL A 40 1.115 19.274 -8.290 1.00 1.00 O ATOM 621 CB VAL A 40 -0.623 21.786 -7.526 1.00 1.00 C ATOM 622 CG1 VAL A 40 0.434 22.173 -6.509 1.00 1.00 C ATOM 623 CG2 VAL A 40 -1.578 22.947 -7.778 1.00 1.00 C ATOM 0 H VAL A 40 -1.194 19.707 -9.382 1.00 1.00 H new ATOM 0 HA VAL A 40 0.339 22.238 -9.373 1.00 1.00 H new ATOM 0 HB VAL A 40 -1.179 20.946 -7.109 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -0.049 22.486 -5.583 1.00 1.00 H new ATOM 0 HG12 VAL A 40 1.079 21.317 -6.311 1.00 1.00 H new ATOM 0 HG13 VAL A 40 1.033 22.995 -6.901 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -2.022 23.264 -6.834 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -1.030 23.780 -8.219 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -2.366 22.629 -8.461 1.00 1.00 H new ATOM 633 N THR A 41 2.371 21.010 -8.989 1.00 1.00 N ATOM 634 CA THR A 41 3.641 20.306 -8.968 1.00 1.00 C ATOM 635 C THR A 41 4.724 21.188 -8.361 1.00 1.00 C ATOM 636 O THR A 41 4.472 22.345 -8.031 1.00 1.00 O ATOM 637 CB THR A 41 4.064 19.915 -10.401 1.00 1.00 C ATOM 638 OG1 THR A 41 4.034 21.078 -11.241 1.00 1.00 O ATOM 639 CG2 THR A 41 3.143 18.857 -10.985 1.00 1.00 C ATOM 0 H THR A 41 2.446 21.982 -9.290 1.00 1.00 H new ATOM 0 HA THR A 41 3.518 19.406 -8.365 1.00 1.00 H new ATOM 0 HB THR A 41 5.072 19.504 -10.354 1.00 1.00 H new ATOM 0 HG1 THR A 41 4.304 20.832 -12.150 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.471 18.606 -11.994 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.173 17.964 -10.361 1.00 1.00 H new ATOM 0 HG23 THR A 41 2.123 19.241 -11.020 1.00 1.00 H new ATOM 647 N SER A 42 5.945 20.690 -8.322 1.00 1.00 N ATOM 648 CA SER A 42 7.046 21.445 -7.759 1.00 1.00 C ATOM 649 C SER A 42 8.369 20.876 -8.246 1.00 1.00 C ATOM 650 O SER A 42 8.404 19.776 -8.804 1.00 1.00 O ATOM 651 CB SER A 42 6.970 21.414 -6.232 1.00 1.00 C ATOM 652 OG SER A 42 6.976 20.089 -5.742 1.00 1.00 O ATOM 0 H SER A 42 6.199 19.767 -8.673 1.00 1.00 H new ATOM 0 HA SER A 42 6.977 22.482 -8.087 1.00 1.00 H new ATOM 0 HB2 SER A 42 7.814 21.962 -5.813 1.00 1.00 H new ATOM 0 HB3 SER A 42 6.064 21.922 -5.901 1.00 1.00 H new ATOM 0 HG SER A 42 6.219 19.596 -6.122 1.00 1.00 H new ATOM 658 N ALA A 43 9.439 21.650 -8.110 1.00 1.00 N ATOM 659 CA ALA A 43 10.742 21.221 -8.579 1.00 1.00 C ATOM 660 C ALA A 43 11.861 22.069 -7.999 1.00 1.00 C ATOM 661 O ALA A 43 11.626 23.091 -7.348 1.00 1.00 O ATOM 662 CB ALA A 43 10.794 21.293 -10.094 1.00 1.00 C ATOM 0 H ALA A 43 9.426 22.575 -7.679 1.00 1.00 H new ATOM 0 HA ALA A 43 10.888 20.194 -8.245 1.00 1.00 H new ATOM 0 HB1 ALA A 43 11.776 20.969 -10.440 1.00 1.00 H new ATOM 0 HB2 ALA A 43 10.028 20.642 -10.516 1.00 1.00 H new ATOM 0 HB3 ALA A 43 10.616 22.319 -10.416 1.00 1.00 H new ATOM 668 N GLY A 44 13.080 21.618 -8.237 1.00 1.00 N ATOM 669 CA GLY A 44 14.251 22.337 -7.796 1.00 1.00 C ATOM 670 C GLY A 44 15.220 22.546 -8.934 1.00 1.00 C ATOM 671 O GLY A 44 15.505 21.609 -9.680 1.00 1.00 O ATOM 0 H GLY A 44 13.280 20.752 -8.737 1.00 1.00 H new ATOM 0 HA2 GLY A 44 13.955 23.302 -7.384 1.00 1.00 H new ATOM 0 HA3 GLY A 44 14.741 21.784 -6.994 1.00 1.00 H new ATOM 675 N THR A 45 15.734 23.764 -9.063 1.00 1.00 N ATOM 676 CA THR A 45 16.653 24.106 -10.145 1.00 1.00 C ATOM 677 C THR A 45 18.011 23.415 -9.965 1.00 1.00 C ATOM 678 O THR A 45 18.797 23.310 -10.902 1.00 1.00 O ATOM 679 CB THR A 45 16.863 25.635 -10.231 1.00 1.00 C ATOM 680 OG1 THR A 45 17.199 26.153 -8.930 1.00 1.00 O ATOM 681 CG2 THR A 45 15.612 26.332 -10.753 1.00 1.00 C ATOM 0 H THR A 45 15.529 24.536 -8.428 1.00 1.00 H new ATOM 0 HA THR A 45 16.201 23.754 -11.072 1.00 1.00 H new ATOM 0 HB THR A 45 17.679 25.829 -10.927 1.00 1.00 H new ATOM 0 HG1 THR A 45 17.773 26.941 -9.030 1.00 1.00 H new ATOM 0 HG21 THR A 45 15.788 27.406 -10.803 1.00 1.00 H new ATOM 0 HG22 THR A 45 15.375 25.956 -11.748 1.00 1.00 H new ATOM 0 HG23 THR A 45 14.777 26.132 -10.081 1.00 1.00 H new ATOM 689 N GLY A 46 18.281 22.956 -8.748 1.00 1.00 N ATOM 690 CA GLY A 46 19.544 22.301 -8.463 1.00 1.00 C ATOM 691 C GLY A 46 19.390 20.827 -8.121 1.00 1.00 C ATOM 692 O GLY A 46 20.338 20.199 -7.650 1.00 1.00 O ATOM 0 H GLY A 46 17.646 23.026 -7.952 1.00 1.00 H new ATOM 0 HA2 GLY A 46 20.201 22.400 -9.327 1.00 1.00 H new ATOM 0 HA3 GLY A 46 20.031 22.811 -7.632 1.00 1.00 H new ATOM 696 N ASN A 47 18.170 20.306 -8.301 1.00 1.00 N ATOM 697 CA ASN A 47 17.837 18.880 -8.065 1.00 1.00 C ATOM 698 C ASN A 47 18.431 18.310 -6.765 1.00 1.00 C ATOM 699 O ASN A 47 18.772 17.131 -6.710 1.00 1.00 O ATOM 700 CB ASN A 47 18.255 18.009 -9.268 1.00 1.00 C ATOM 701 CG ASN A 47 19.761 17.911 -9.494 1.00 1.00 C ATOM 702 OD1 ASN A 47 20.347 18.720 -10.214 1.00 1.00 O ATOM 703 ND2 ASN A 47 20.396 16.911 -8.896 1.00 1.00 N ATOM 0 H ASN A 47 17.374 20.860 -8.617 1.00 1.00 H new ATOM 0 HA ASN A 47 16.754 18.847 -7.950 1.00 1.00 H new ATOM 0 HB2 ASN A 47 17.857 17.004 -9.127 1.00 1.00 H new ATOM 0 HB3 ASN A 47 17.792 18.412 -10.169 1.00 1.00 H new ATOM 0 HD21 ASN A 47 21.401 16.794 -9.026 1.00 1.00 H new ATOM 0 HD22 ASN A 47 19.879 16.259 -8.306 1.00 1.00 H new ATOM 710 N TRP A 48 18.425 19.118 -5.701 1.00 1.00 N ATOM 711 CA TRP A 48 18.949 18.720 -4.385 1.00 1.00 C ATOM 712 C TRP A 48 18.514 17.312 -3.984 1.00 1.00 C ATOM 713 O TRP A 48 19.295 16.365 -4.016 1.00 1.00 O ATOM 714 CB TRP A 48 18.457 19.707 -3.312 1.00 1.00 C ATOM 715 CG TRP A 48 19.460 20.735 -2.885 1.00 1.00 C ATOM 716 CD1 TRP A 48 20.098 20.795 -1.678 1.00 1.00 C ATOM 717 CD2 TRP A 48 19.932 21.853 -3.642 1.00 1.00 C ATOM 718 NE1 TRP A 48 20.934 21.883 -1.638 1.00 1.00 N ATOM 719 CE2 TRP A 48 20.852 22.547 -2.830 1.00 1.00 C ATOM 720 CE3 TRP A 48 19.669 22.338 -4.923 1.00 1.00 C ATOM 721 CZ2 TRP A 48 21.507 23.694 -3.261 1.00 1.00 C ATOM 722 CZ3 TRP A 48 20.321 23.477 -5.349 1.00 1.00 C ATOM 723 CH2 TRP A 48 21.230 24.145 -4.520 1.00 1.00 C ATOM 0 H TRP A 48 18.057 20.069 -5.725 1.00 1.00 H new ATOM 0 HA TRP A 48 20.036 18.731 -4.459 1.00 1.00 H new ATOM 0 HB2 TRP A 48 17.573 20.220 -3.691 1.00 1.00 H new ATOM 0 HB3 TRP A 48 18.145 19.140 -2.435 1.00 1.00 H new ATOM 0 HD1 TRP A 48 19.964 20.089 -0.872 1.00 1.00 H new ATOM 0 HE1 TRP A 48 21.520 22.152 -0.848 1.00 1.00 H new ATOM 0 HE3 TRP A 48 18.968 21.831 -5.570 1.00 1.00 H new ATOM 0 HZ2 TRP A 48 22.210 24.210 -2.624 1.00 1.00 H new ATOM 0 HZ3 TRP A 48 20.127 23.860 -6.340 1.00 1.00 H new ATOM 0 HH2 TRP A 48 21.722 25.035 -4.883 1.00 1.00 H new ATOM 734 N HIS A 49 17.274 17.214 -3.552 1.00 1.00 N ATOM 735 CA HIS A 49 16.725 15.942 -3.121 1.00 1.00 C ATOM 736 C HIS A 49 15.757 15.386 -4.143 1.00 1.00 C ATOM 737 O HIS A 49 14.755 14.777 -3.783 1.00 1.00 O ATOM 738 CB HIS A 49 16.052 16.071 -1.754 1.00 1.00 C ATOM 739 CG HIS A 49 17.021 16.162 -0.618 1.00 1.00 C ATOM 740 ND1 HIS A 49 17.139 15.186 0.348 1.00 1.00 N ATOM 741 CD2 HIS A 49 17.913 17.125 -0.288 1.00 1.00 C ATOM 742 CE1 HIS A 49 18.063 15.545 1.222 1.00 1.00 C ATOM 743 NE2 HIS A 49 18.548 16.719 0.858 1.00 1.00 N ATOM 0 H HIS A 49 16.626 17.999 -3.489 1.00 1.00 H new ATOM 0 HA HIS A 49 17.554 15.240 -3.028 1.00 1.00 H new ATOM 0 HB2 HIS A 49 15.418 16.958 -1.752 1.00 1.00 H new ATOM 0 HB3 HIS A 49 15.399 15.212 -1.597 1.00 1.00 H new ATOM 0 HD2 HIS A 49 18.092 18.043 -0.827 1.00 1.00 H new ATOM 0 HE1 HIS A 49 18.370 14.976 2.087 1.00 1.00 H new ATOM 0 HE2 HIS A 49 19.276 17.238 1.349 1.00 1.00 H new ATOM 752 N VAL A 50 16.107 15.523 -5.417 1.00 1.00 N ATOM 753 CA VAL A 50 15.263 15.013 -6.496 1.00 1.00 C ATOM 754 C VAL A 50 15.035 13.503 -6.344 1.00 1.00 C ATOM 755 O VAL A 50 15.981 12.738 -6.148 1.00 1.00 O ATOM 756 CB VAL A 50 15.869 15.322 -7.886 1.00 1.00 C ATOM 757 CG1 VAL A 50 17.222 14.651 -8.073 1.00 1.00 C ATOM 758 CG2 VAL A 50 14.919 14.903 -8.989 1.00 1.00 C ATOM 0 H VAL A 50 16.964 15.980 -5.729 1.00 1.00 H new ATOM 0 HA VAL A 50 14.302 15.523 -6.425 1.00 1.00 H new ATOM 0 HB VAL A 50 16.021 16.400 -7.941 1.00 1.00 H new ATOM 0 HG11 VAL A 50 17.614 14.892 -9.061 1.00 1.00 H new ATOM 0 HG12 VAL A 50 17.914 15.009 -7.311 1.00 1.00 H new ATOM 0 HG13 VAL A 50 17.108 13.571 -7.982 1.00 1.00 H new ATOM 0 HG21 VAL A 50 15.364 15.129 -9.958 1.00 1.00 H new ATOM 0 HG22 VAL A 50 14.729 13.832 -8.918 1.00 1.00 H new ATOM 0 HG23 VAL A 50 13.980 15.446 -8.886 1.00 1.00 H new ATOM 768 N GLY A 51 13.772 13.089 -6.366 1.00 1.00 N ATOM 769 CA GLY A 51 13.437 11.683 -6.202 1.00 1.00 C ATOM 770 C GLY A 51 13.136 11.331 -4.760 1.00 1.00 C ATOM 771 O GLY A 51 12.605 10.259 -4.470 1.00 1.00 O ATOM 0 H GLY A 51 12.969 13.705 -6.495 1.00 1.00 H new ATOM 0 HA2 GLY A 51 12.573 11.443 -6.821 1.00 1.00 H new ATOM 0 HA3 GLY A 51 14.265 11.070 -6.559 1.00 1.00 H new ATOM 775 N SER A 52 13.508 12.219 -3.854 1.00 1.00 N ATOM 776 CA SER A 52 13.266 12.007 -2.440 1.00 1.00 C ATOM 777 C SER A 52 11.831 12.391 -2.083 1.00 1.00 C ATOM 778 O SER A 52 10.980 12.589 -2.958 1.00 1.00 O ATOM 779 CB SER A 52 14.249 12.827 -1.605 1.00 1.00 C ATOM 780 OG SER A 52 14.477 12.230 -0.338 1.00 1.00 O ATOM 0 H SER A 52 13.980 13.096 -4.075 1.00 1.00 H new ATOM 0 HA SER A 52 13.412 10.950 -2.219 1.00 1.00 H new ATOM 0 HB2 SER A 52 15.194 12.920 -2.140 1.00 1.00 H new ATOM 0 HB3 SER A 52 13.859 13.836 -1.469 1.00 1.00 H new ATOM 0 HG SER A 52 15.111 12.776 0.172 1.00 1.00 H new ATOM 786 N CYS A 53 11.601 12.587 -0.800 1.00 1.00 N ATOM 787 CA CYS A 53 10.299 12.974 -0.311 1.00 1.00 C ATOM 788 C CYS A 53 10.418 14.327 0.376 1.00 1.00 C ATOM 789 O CYS A 53 11.516 14.871 0.475 1.00 1.00 O ATOM 790 CB CYS A 53 9.754 11.916 0.645 1.00 1.00 C ATOM 791 SG CYS A 53 7.992 12.090 1.016 1.00 1.00 S ATOM 0 H CYS A 53 12.309 12.482 -0.073 1.00 1.00 H new ATOM 0 HA CYS A 53 9.598 13.055 -1.142 1.00 1.00 H new ATOM 0 HB2 CYS A 53 9.928 10.930 0.215 1.00 1.00 H new ATOM 0 HB3 CYS A 53 10.316 11.961 1.578 1.00 1.00 H new ATOM 0 HG CYS A 53 7.384 12.621 -0.003 1.00 1.00 H new ATOM 797 N ALA A 54 9.292 14.875 0.810 1.00 1.00 N ATOM 798 CA ALA A 54 9.274 16.173 1.478 1.00 1.00 C ATOM 799 C ALA A 54 10.108 16.156 2.760 1.00 1.00 C ATOM 800 O ALA A 54 10.171 15.141 3.459 1.00 1.00 O ATOM 801 CB ALA A 54 7.844 16.577 1.787 1.00 1.00 C ATOM 0 H ALA A 54 8.374 14.441 0.712 1.00 1.00 H new ATOM 0 HA ALA A 54 9.718 16.905 0.803 1.00 1.00 H new ATOM 0 HB1 ALA A 54 7.839 17.546 2.285 1.00 1.00 H new ATOM 0 HB2 ALA A 54 7.276 16.643 0.859 1.00 1.00 H new ATOM 0 HB3 ALA A 54 7.388 15.832 2.439 1.00 1.00 H new ATOM 807 N ASP A 55 10.712 17.299 3.070 1.00 1.00 N ATOM 808 CA ASP A 55 11.543 17.453 4.262 1.00 1.00 C ATOM 809 C ASP A 55 10.726 17.254 5.531 1.00 1.00 C ATOM 810 O ASP A 55 9.551 17.636 5.597 1.00 1.00 O ATOM 811 CB ASP A 55 12.192 18.843 4.276 1.00 1.00 C ATOM 812 CG ASP A 55 13.168 19.037 5.425 1.00 1.00 C ATOM 813 OD1 ASP A 55 12.713 19.208 6.572 1.00 1.00 O ATOM 814 OD2 ASP A 55 14.390 19.043 5.182 1.00 1.00 O ATOM 0 H ASP A 55 10.640 18.144 2.504 1.00 1.00 H new ATOM 0 HA ASP A 55 12.320 16.690 4.231 1.00 1.00 H new ATOM 0 HB2 ASP A 55 12.715 19.002 3.333 1.00 1.00 H new ATOM 0 HB3 ASP A 55 11.411 19.601 4.339 1.00 1.00 H new ATOM 819 N GLU A 56 11.354 16.629 6.515 1.00 1.00 N ATOM 820 CA GLU A 56 10.734 16.344 7.803 1.00 1.00 C ATOM 821 C GLU A 56 10.063 17.560 8.439 1.00 1.00 C ATOM 822 O GLU A 56 9.017 17.421 9.073 1.00 1.00 O ATOM 823 CB GLU A 56 11.783 15.807 8.767 1.00 1.00 C ATOM 824 CG GLU A 56 12.946 16.763 8.983 1.00 1.00 C ATOM 825 CD GLU A 56 13.711 16.455 10.248 1.00 1.00 C ATOM 826 OE1 GLU A 56 13.317 16.964 11.321 1.00 1.00 O ATOM 827 OE2 GLU A 56 14.696 15.688 10.186 1.00 1.00 O ATOM 0 H GLU A 56 12.317 16.302 6.443 1.00 1.00 H new ATOM 0 HA GLU A 56 9.955 15.606 7.612 1.00 1.00 H new ATOM 0 HB2 GLU A 56 11.311 15.597 9.727 1.00 1.00 H new ATOM 0 HB3 GLU A 56 12.166 14.860 8.386 1.00 1.00 H new ATOM 0 HG2 GLU A 56 13.622 16.709 8.130 1.00 1.00 H new ATOM 0 HG3 GLU A 56 12.570 17.785 9.028 1.00 1.00 H new ATOM 834 N ARG A 57 10.650 18.748 8.294 1.00 1.00 N ATOM 835 CA ARG A 57 10.110 19.932 8.946 1.00 1.00 C ATOM 836 C ARG A 57 8.806 20.361 8.285 1.00 1.00 C ATOM 837 O ARG A 57 7.858 20.772 8.957 1.00 1.00 O ATOM 838 CB ARG A 57 11.138 21.069 8.903 1.00 1.00 C ATOM 839 CG ARG A 57 11.342 21.646 7.518 1.00 1.00 C ATOM 840 CD ARG A 57 12.609 22.472 7.419 1.00 1.00 C ATOM 841 NE ARG A 57 13.737 21.646 7.011 1.00 1.00 N ATOM 842 CZ ARG A 57 14.957 22.103 6.774 1.00 1.00 C ATOM 843 NH1 ARG A 57 15.254 23.382 6.991 1.00 1.00 N ATOM 844 NH2 ARG A 57 15.883 21.278 6.308 1.00 1.00 N ATOM 0 H ARG A 57 11.489 18.911 7.737 1.00 1.00 H new ATOM 0 HA ARG A 57 9.898 19.692 9.988 1.00 1.00 H new ATOM 0 HB2 ARG A 57 10.817 21.864 9.576 1.00 1.00 H new ATOM 0 HB3 ARG A 57 12.092 20.700 9.278 1.00 1.00 H new ATOM 0 HG2 ARG A 57 11.382 20.835 6.791 1.00 1.00 H new ATOM 0 HG3 ARG A 57 10.485 22.267 7.256 1.00 1.00 H new ATOM 0 HD2 ARG A 57 12.466 23.280 6.701 1.00 1.00 H new ATOM 0 HD3 ARG A 57 12.822 22.935 8.382 1.00 1.00 H new ATOM 0 HE ARG A 57 13.576 20.645 6.900 1.00 1.00 H new ATOM 0 HH11 ARG A 57 14.539 24.019 7.343 1.00 1.00 H new ATOM 0 HH12 ARG A 57 16.196 23.725 6.806 1.00 1.00 H new ATOM 0 HH21 ARG A 57 15.654 20.299 6.135 1.00 1.00 H new ATOM 0 HH22 ARG A 57 16.825 21.621 6.123 1.00 1.00 H new ATOM 858 N ALA A 58 8.759 20.223 6.967 1.00 1.00 N ATOM 859 CA ALA A 58 7.571 20.552 6.202 1.00 1.00 C ATOM 860 C ALA A 58 6.487 19.529 6.485 1.00 1.00 C ATOM 861 O ALA A 58 5.314 19.866 6.603 1.00 1.00 O ATOM 862 CB ALA A 58 7.909 20.601 4.722 1.00 1.00 C ATOM 0 H ALA A 58 9.539 19.882 6.404 1.00 1.00 H new ATOM 0 HA ALA A 58 7.201 21.534 6.497 1.00 1.00 H new ATOM 0 HB1 ALA A 58 7.013 20.848 4.152 1.00 1.00 H new ATOM 0 HB2 ALA A 58 8.671 21.360 4.548 1.00 1.00 H new ATOM 0 HB3 ALA A 58 8.285 19.629 4.402 1.00 1.00 H new ATOM 868 N ALA A 59 6.900 18.278 6.631 1.00 1.00 N ATOM 869 CA ALA A 59 5.987 17.211 6.982 1.00 1.00 C ATOM 870 C ALA A 59 5.383 17.496 8.349 1.00 1.00 C ATOM 871 O ALA A 59 4.177 17.353 8.551 1.00 1.00 O ATOM 872 CB ALA A 59 6.707 15.870 6.984 1.00 1.00 C ATOM 0 H ALA A 59 7.868 17.981 6.510 1.00 1.00 H new ATOM 0 HA ALA A 59 5.190 17.162 6.240 1.00 1.00 H new ATOM 0 HB1 ALA A 59 6.004 15.080 7.250 1.00 1.00 H new ATOM 0 HB2 ALA A 59 7.114 15.674 5.992 1.00 1.00 H new ATOM 0 HB3 ALA A 59 7.519 15.894 7.711 1.00 1.00 H new ATOM 878 N GLY A 60 6.233 17.939 9.271 1.00 1.00 N ATOM 879 CA GLY A 60 5.779 18.278 10.606 1.00 1.00 C ATOM 880 C GLY A 60 4.716 19.358 10.623 1.00 1.00 C ATOM 881 O GLY A 60 3.703 19.213 11.306 1.00 1.00 O ATOM 0 H GLY A 60 7.233 18.069 9.115 1.00 1.00 H new ATOM 0 HA2 GLY A 60 5.385 17.382 11.086 1.00 1.00 H new ATOM 0 HA3 GLY A 60 6.632 18.608 11.199 1.00 1.00 H new ATOM 885 N VAL A 61 4.914 20.428 9.860 1.00 1.00 N ATOM 886 CA VAL A 61 3.941 21.510 9.843 1.00 1.00 C ATOM 887 C VAL A 61 2.676 21.124 9.085 1.00 1.00 C ATOM 888 O VAL A 61 1.573 21.409 9.543 1.00 1.00 O ATOM 889 CB VAL A 61 4.509 22.829 9.274 1.00 1.00 C ATOM 890 CG1 VAL A 61 5.654 23.328 10.122 1.00 1.00 C ATOM 891 CG2 VAL A 61 4.946 22.695 7.831 1.00 1.00 C ATOM 0 H VAL A 61 5.724 20.567 9.256 1.00 1.00 H new ATOM 0 HA VAL A 61 3.688 21.685 10.889 1.00 1.00 H new ATOM 0 HB VAL A 61 3.699 23.558 9.302 1.00 1.00 H new ATOM 0 HG11 VAL A 61 6.039 24.258 9.703 1.00 1.00 H new ATOM 0 HG12 VAL A 61 5.303 23.506 11.139 1.00 1.00 H new ATOM 0 HG13 VAL A 61 6.448 22.581 10.137 1.00 1.00 H new ATOM 0 HG21 VAL A 61 5.337 23.650 7.479 1.00 1.00 H new ATOM 0 HG22 VAL A 61 5.723 21.934 7.755 1.00 1.00 H new ATOM 0 HG23 VAL A 61 4.093 22.404 7.218 1.00 1.00 H new ATOM 901 N LEU A 62 2.826 20.448 7.952 1.00 1.00 N ATOM 902 CA LEU A 62 1.674 20.042 7.171 1.00 1.00 C ATOM 903 C LEU A 62 0.779 19.120 7.993 1.00 1.00 C ATOM 904 O LEU A 62 -0.394 19.419 8.209 1.00 1.00 O ATOM 905 CB LEU A 62 2.123 19.363 5.873 1.00 1.00 C ATOM 906 CG LEU A 62 2.880 20.265 4.896 1.00 1.00 C ATOM 907 CD1 LEU A 62 3.412 19.457 3.727 1.00 1.00 C ATOM 908 CD2 LEU A 62 1.983 21.386 4.401 1.00 1.00 C ATOM 0 H LEU A 62 3.727 20.174 7.560 1.00 1.00 H new ATOM 0 HA LEU A 62 1.096 20.927 6.905 1.00 1.00 H new ATOM 0 HB2 LEU A 62 2.758 18.514 6.126 1.00 1.00 H new ATOM 0 HB3 LEU A 62 1.244 18.963 5.367 1.00 1.00 H new ATOM 0 HG LEU A 62 3.726 20.707 5.423 1.00 1.00 H new ATOM 0 HD11 LEU A 62 3.947 20.116 3.043 1.00 1.00 H new ATOM 0 HD12 LEU A 62 4.090 18.688 4.095 1.00 1.00 H new ATOM 0 HD13 LEU A 62 2.581 18.987 3.202 1.00 1.00 H new ATOM 0 HD21 LEU A 62 2.539 22.017 3.707 1.00 1.00 H new ATOM 0 HD22 LEU A 62 1.118 20.962 3.892 1.00 1.00 H new ATOM 0 HD23 LEU A 62 1.648 21.985 5.248 1.00 1.00 H new ATOM 920 N ARG A 63 1.375 18.076 8.554 1.00 1.00 N ATOM 921 CA ARG A 63 0.638 17.108 9.367 1.00 1.00 C ATOM 922 C ARG A 63 -0.016 17.787 10.574 1.00 1.00 C ATOM 923 O ARG A 63 -1.105 17.397 10.998 1.00 1.00 O ATOM 924 CB ARG A 63 1.559 15.972 9.847 1.00 1.00 C ATOM 925 CG ARG A 63 2.453 16.350 11.027 1.00 1.00 C ATOM 926 CD ARG A 63 3.429 15.240 11.400 1.00 1.00 C ATOM 927 NE ARG A 63 2.756 14.036 11.885 1.00 1.00 N ATOM 928 CZ ARG A 63 3.046 13.435 13.043 1.00 1.00 C ATOM 929 NH1 ARG A 63 3.958 13.950 13.859 1.00 1.00 N ATOM 930 NH2 ARG A 63 2.415 12.321 13.383 1.00 1.00 N ATOM 0 H ARG A 63 2.371 17.874 8.462 1.00 1.00 H new ATOM 0 HA ARG A 63 -0.143 16.683 8.737 1.00 1.00 H new ATOM 0 HB2 ARG A 63 0.946 15.116 10.129 1.00 1.00 H new ATOM 0 HB3 ARG A 63 2.188 15.653 9.016 1.00 1.00 H new ATOM 0 HG2 ARG A 63 3.012 17.253 10.781 1.00 1.00 H new ATOM 0 HG3 ARG A 63 1.830 16.586 11.890 1.00 1.00 H new ATOM 0 HD2 ARG A 63 4.035 14.987 10.530 1.00 1.00 H new ATOM 0 HD3 ARG A 63 4.111 15.604 12.168 1.00 1.00 H new ATOM 0 HE ARG A 63 2.021 13.631 11.305 1.00 1.00 H new ATOM 0 HH11 ARG A 63 4.443 14.810 13.604 1.00 1.00 H new ATOM 0 HH12 ARG A 63 4.174 13.485 14.741 1.00 1.00 H new ATOM 0 HH21 ARG A 63 1.710 11.924 12.762 1.00 1.00 H new ATOM 0 HH22 ARG A 63 2.634 11.860 14.266 1.00 1.00 H new ATOM 944 N ALA A 64 0.637 18.828 11.096 1.00 1.00 N ATOM 945 CA ALA A 64 0.131 19.538 12.267 1.00 1.00 C ATOM 946 C ALA A 64 -1.128 20.319 11.925 1.00 1.00 C ATOM 947 O ALA A 64 -2.063 20.401 12.722 1.00 1.00 O ATOM 948 CB ALA A 64 1.193 20.474 12.827 1.00 1.00 C ATOM 0 H ALA A 64 1.514 19.195 10.726 1.00 1.00 H new ATOM 0 HA ALA A 64 -0.118 18.798 13.027 1.00 1.00 H new ATOM 0 HB1 ALA A 64 0.796 20.994 13.699 1.00 1.00 H new ATOM 0 HB2 ALA A 64 2.071 19.896 13.117 1.00 1.00 H new ATOM 0 HB3 ALA A 64 1.473 21.203 12.067 1.00 1.00 H new ATOM 954 N HIS A 65 -1.177 20.840 10.709 1.00 1.00 N ATOM 955 CA HIS A 65 -2.318 21.627 10.267 1.00 1.00 C ATOM 956 C HIS A 65 -3.339 20.749 9.546 1.00 1.00 C ATOM 957 O HIS A 65 -4.333 21.241 9.011 1.00 1.00 O ATOM 958 CB HIS A 65 -1.853 22.782 9.372 1.00 1.00 C ATOM 959 CG HIS A 65 -0.953 23.756 10.078 1.00 1.00 C ATOM 960 ND1 HIS A 65 -1.407 24.666 11.004 1.00 1.00 N ATOM 961 CD2 HIS A 65 0.387 23.951 10.000 1.00 1.00 C ATOM 962 CE1 HIS A 65 -0.395 25.373 11.460 1.00 1.00 C ATOM 963 NE2 HIS A 65 0.709 24.961 10.870 1.00 1.00 N ATOM 0 H HIS A 65 -0.441 20.732 10.011 1.00 1.00 H new ATOM 0 HA HIS A 65 -2.807 22.050 11.144 1.00 1.00 H new ATOM 0 HB2 HIS A 65 -1.329 22.374 8.508 1.00 1.00 H new ATOM 0 HB3 HIS A 65 -2.726 23.313 8.994 1.00 1.00 H new ATOM 0 HD2 HIS A 65 1.075 23.409 9.368 1.00 1.00 H new ATOM 0 HE1 HIS A 65 -0.459 26.161 12.196 1.00 1.00 H new ATOM 0 HE2 HIS A 65 1.645 25.331 11.033 1.00 1.00 H new ATOM 972 N GLY A 66 -3.072 19.445 9.527 1.00 1.00 N ATOM 973 CA GLY A 66 -4.002 18.497 8.929 1.00 1.00 C ATOM 974 C GLY A 66 -3.799 18.331 7.437 1.00 1.00 C ATOM 975 O GLY A 66 -4.665 17.814 6.736 1.00 1.00 O ATOM 0 H GLY A 66 -2.227 19.026 9.915 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -3.888 17.528 9.416 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -5.023 18.830 9.117 1.00 1.00 H new ATOM 979 N TYR A 67 -2.647 18.765 6.960 1.00 1.00 N ATOM 980 CA TYR A 67 -2.315 18.673 5.548 1.00 1.00 C ATOM 981 C TYR A 67 -1.563 17.377 5.261 1.00 1.00 C ATOM 982 O TYR A 67 -0.947 16.800 6.159 1.00 1.00 O ATOM 983 CB TYR A 67 -1.469 19.878 5.123 1.00 1.00 C ATOM 984 CG TYR A 67 -2.261 21.159 4.980 1.00 1.00 C ATOM 985 CD1 TYR A 67 -3.097 21.358 3.890 1.00 1.00 C ATOM 986 CD2 TYR A 67 -2.175 22.168 5.931 1.00 1.00 C ATOM 987 CE1 TYR A 67 -3.824 22.524 3.751 1.00 1.00 C ATOM 988 CE2 TYR A 67 -2.901 23.338 5.799 1.00 1.00 C ATOM 989 CZ TYR A 67 -3.723 23.509 4.706 1.00 1.00 C ATOM 990 OH TYR A 67 -4.451 24.668 4.569 1.00 1.00 O ATOM 0 H TYR A 67 -1.919 19.189 7.535 1.00 1.00 H new ATOM 0 HA TYR A 67 -3.242 18.673 4.974 1.00 1.00 H new ATOM 0 HB2 TYR A 67 -0.677 20.031 5.856 1.00 1.00 H new ATOM 0 HB3 TYR A 67 -0.984 19.653 4.173 1.00 1.00 H new ATOM 0 HD1 TYR A 67 -3.180 20.588 3.138 1.00 1.00 H new ATOM 0 HD2 TYR A 67 -1.531 22.037 6.788 1.00 1.00 H new ATOM 0 HE1 TYR A 67 -4.469 22.662 2.896 1.00 1.00 H new ATOM 0 HE2 TYR A 67 -2.824 24.113 6.548 1.00 1.00 H new ATOM 0 HH TYR A 67 -4.268 25.261 5.328 1.00 1.00 H new ATOM 1000 N PRO A 68 -1.652 16.867 4.025 1.00 1.00 N ATOM 1001 CA PRO A 68 -0.902 15.685 3.620 1.00 1.00 C ATOM 1002 C PRO A 68 0.579 15.990 3.565 1.00 1.00 C ATOM 1003 O PRO A 68 0.980 17.140 3.377 1.00 1.00 O ATOM 1004 CB PRO A 68 -1.432 15.366 2.225 1.00 1.00 C ATOM 1005 CG PRO A 68 -2.001 16.648 1.730 1.00 1.00 C ATOM 1006 CD PRO A 68 -2.504 17.378 2.944 1.00 1.00 C ATOM 0 HA PRO A 68 -1.023 14.854 4.315 1.00 1.00 H new ATOM 0 HB2 PRO A 68 -0.636 15.009 1.572 1.00 1.00 H new ATOM 0 HB3 PRO A 68 -2.191 14.584 2.260 1.00 1.00 H new ATOM 0 HG2 PRO A 68 -1.245 17.234 1.208 1.00 1.00 H new ATOM 0 HG3 PRO A 68 -2.809 16.468 1.021 1.00 1.00 H new ATOM 0 HD2 PRO A 68 -2.407 18.458 2.832 1.00 1.00 H new ATOM 0 HD3 PRO A 68 -3.558 17.170 3.130 1.00 1.00 H new ATOM 1014 N THR A 69 1.402 14.969 3.682 1.00 1.00 N ATOM 1015 CA THR A 69 2.829 15.186 3.716 1.00 1.00 C ATOM 1016 C THR A 69 3.553 14.265 2.743 1.00 1.00 C ATOM 1017 O THR A 69 4.761 14.067 2.847 1.00 1.00 O ATOM 1018 CB THR A 69 3.381 14.992 5.145 1.00 1.00 C ATOM 1019 OG1 THR A 69 3.193 13.636 5.569 1.00 1.00 O ATOM 1020 CG2 THR A 69 2.678 15.923 6.117 1.00 1.00 C ATOM 0 H THR A 69 1.111 13.994 3.754 1.00 1.00 H new ATOM 0 HA THR A 69 3.011 16.216 3.409 1.00 1.00 H new ATOM 0 HB THR A 69 4.446 15.224 5.133 1.00 1.00 H new ATOM 0 HG1 THR A 69 3.548 13.524 6.476 1.00 1.00 H new ATOM 0 HG21 THR A 69 3.079 15.773 7.119 1.00 1.00 H new ATOM 0 HG22 THR A 69 2.840 16.957 5.812 1.00 1.00 H new ATOM 0 HG23 THR A 69 1.609 15.708 6.118 1.00 1.00 H new ATOM 1028 N ASP A 70 2.854 13.879 1.685 1.00 1.00 N ATOM 1029 CA ASP A 70 3.440 13.019 0.664 1.00 1.00 C ATOM 1030 C ASP A 70 3.787 13.833 -0.580 1.00 1.00 C ATOM 1031 O ASP A 70 3.029 14.710 -0.983 1.00 1.00 O ATOM 1032 CB ASP A 70 2.491 11.879 0.300 1.00 1.00 C ATOM 1033 CG ASP A 70 3.036 11.009 -0.817 1.00 1.00 C ATOM 1034 OD1 ASP A 70 4.239 10.670 -0.780 1.00 1.00 O ATOM 1035 OD2 ASP A 70 2.263 10.669 -1.738 1.00 1.00 O ATOM 0 H ASP A 70 1.885 14.146 1.511 1.00 1.00 H new ATOM 0 HA ASP A 70 4.355 12.586 1.069 1.00 1.00 H new ATOM 0 HB2 ASP A 70 2.311 11.264 1.182 1.00 1.00 H new ATOM 0 HB3 ASP A 70 1.529 12.293 -0.002 1.00 1.00 H new ATOM 1040 N HIS A 71 5.002 13.639 -1.071 1.00 1.00 N ATOM 1041 CA HIS A 71 5.508 14.334 -2.252 1.00 1.00 C ATOM 1042 C HIS A 71 6.789 13.665 -2.721 1.00 1.00 C ATOM 1043 O HIS A 71 7.564 13.180 -1.902 1.00 1.00 O ATOM 1044 CB HIS A 71 5.755 15.823 -1.923 1.00 1.00 C ATOM 1045 CG HIS A 71 6.860 16.499 -2.694 1.00 1.00 C ATOM 1046 ND1 HIS A 71 6.648 17.274 -3.811 1.00 1.00 N ATOM 1047 CD2 HIS A 71 8.195 16.546 -2.459 1.00 1.00 C ATOM 1048 CE1 HIS A 71 7.802 17.763 -4.229 1.00 1.00 C ATOM 1049 NE2 HIS A 71 8.758 17.341 -3.423 1.00 1.00 N ATOM 0 H HIS A 71 5.673 12.990 -0.660 1.00 1.00 H new ATOM 0 HA HIS A 71 4.770 14.280 -3.053 1.00 1.00 H new ATOM 0 HB2 HIS A 71 4.829 16.371 -2.099 1.00 1.00 H new ATOM 0 HB3 HIS A 71 5.978 15.907 -0.859 1.00 1.00 H new ATOM 0 HD1 HIS A 71 5.742 17.444 -4.248 1.00 1.00 H new ATOM 0 HD2 HIS A 71 8.719 16.047 -1.657 1.00 1.00 H new ATOM 0 HE1 HIS A 71 7.940 18.402 -5.088 1.00 1.00 H new ATOM 1058 N ARG A 72 7.037 13.696 -4.020 1.00 1.00 N ATOM 1059 CA ARG A 72 8.268 13.144 -4.557 1.00 1.00 C ATOM 1060 C ARG A 72 8.996 14.251 -5.289 1.00 1.00 C ATOM 1061 O ARG A 72 8.485 14.803 -6.266 1.00 1.00 O ATOM 1062 CB ARG A 72 8.001 11.978 -5.503 1.00 1.00 C ATOM 1063 CG ARG A 72 9.085 10.911 -5.463 1.00 1.00 C ATOM 1064 CD ARG A 72 9.023 10.148 -4.150 1.00 1.00 C ATOM 1065 NE ARG A 72 9.854 8.947 -4.150 1.00 1.00 N ATOM 1066 CZ ARG A 72 9.636 7.904 -3.347 1.00 1.00 C ATOM 1067 NH1 ARG A 72 8.602 7.912 -2.510 1.00 1.00 N ATOM 1068 NH2 ARG A 72 10.437 6.846 -3.390 1.00 1.00 N ATOM 0 H ARG A 72 6.407 14.094 -4.717 1.00 1.00 H new ATOM 0 HA ARG A 72 8.873 12.757 -3.737 1.00 1.00 H new ATOM 0 HB2 ARG A 72 7.044 11.524 -5.247 1.00 1.00 H new ATOM 0 HB3 ARG A 72 7.912 12.358 -6.521 1.00 1.00 H new ATOM 0 HG2 ARG A 72 8.958 10.222 -6.298 1.00 1.00 H new ATOM 0 HG3 ARG A 72 10.065 11.374 -5.577 1.00 1.00 H new ATOM 0 HD2 ARG A 72 9.341 10.804 -3.339 1.00 1.00 H new ATOM 0 HD3 ARG A 72 7.989 9.868 -3.947 1.00 1.00 H new ATOM 0 HE ARG A 72 10.641 8.903 -4.797 1.00 1.00 H new ATOM 0 HH11 ARG A 72 7.975 8.716 -2.482 1.00 1.00 H new ATOM 0 HH12 ARG A 72 8.436 7.114 -1.897 1.00 1.00 H new ATOM 0 HH21 ARG A 72 11.224 6.828 -4.039 1.00 1.00 H new ATOM 0 HH22 ARG A 72 10.266 6.051 -2.774 1.00 1.00 H new ATOM 1082 N ALA A 73 10.133 14.637 -4.749 1.00 1.00 N ATOM 1083 CA ALA A 73 10.901 15.751 -5.279 1.00 1.00 C ATOM 1084 C ALA A 73 11.283 15.546 -6.737 1.00 1.00 C ATOM 1085 O ALA A 73 11.632 14.444 -7.147 1.00 1.00 O ATOM 1086 CB ALA A 73 12.139 15.951 -4.433 1.00 1.00 C ATOM 0 H ALA A 73 10.552 14.191 -3.933 1.00 1.00 H new ATOM 0 HA ALA A 73 10.274 16.642 -5.239 1.00 1.00 H new ATOM 0 HB1 ALA A 73 12.718 16.786 -4.827 1.00 1.00 H new ATOM 0 HB2 ALA A 73 11.847 16.166 -3.405 1.00 1.00 H new ATOM 0 HB3 ALA A 73 12.746 15.046 -4.456 1.00 1.00 H new ATOM 1092 N ALA A 74 11.199 16.611 -7.512 1.00 1.00 N ATOM 1093 CA ALA A 74 11.570 16.558 -8.916 1.00 1.00 C ATOM 1094 C ALA A 74 12.457 17.730 -9.281 1.00 1.00 C ATOM 1095 O ALA A 74 12.537 18.715 -8.545 1.00 1.00 O ATOM 1096 CB ALA A 74 10.321 16.559 -9.781 1.00 1.00 C ATOM 0 H ALA A 74 10.877 17.525 -7.194 1.00 1.00 H new ATOM 0 HA ALA A 74 12.128 15.638 -9.093 1.00 1.00 H new ATOM 0 HB1 ALA A 74 10.606 16.519 -10.832 1.00 1.00 H new ATOM 0 HB2 ALA A 74 9.709 15.690 -9.538 1.00 1.00 H new ATOM 0 HB3 ALA A 74 9.750 17.468 -9.594 1.00 1.00 H new ATOM 1102 N GLN A 75 13.155 17.612 -10.397 1.00 1.00 N ATOM 1103 CA GLN A 75 14.003 18.679 -10.875 1.00 1.00 C ATOM 1104 C GLN A 75 13.232 19.461 -11.928 1.00 1.00 C ATOM 1105 O GLN A 75 12.251 18.958 -12.483 1.00 1.00 O ATOM 1106 CB GLN A 75 15.300 18.097 -11.452 1.00 1.00 C ATOM 1107 CG GLN A 75 16.103 19.061 -12.313 1.00 1.00 C ATOM 1108 CD GLN A 75 17.453 18.496 -12.692 1.00 1.00 C ATOM 1109 OE1 GLN A 75 17.629 17.284 -12.803 1.00 1.00 O ATOM 1110 NE2 GLN A 75 18.415 19.374 -12.900 1.00 1.00 N ATOM 0 H GLN A 75 13.148 16.781 -10.989 1.00 1.00 H new ATOM 0 HA GLN A 75 14.278 19.348 -10.059 1.00 1.00 H new ATOM 0 HB2 GLN A 75 15.928 17.758 -10.628 1.00 1.00 H new ATOM 0 HB3 GLN A 75 15.054 17.218 -12.048 1.00 1.00 H new ATOM 0 HG2 GLN A 75 15.541 19.293 -13.218 1.00 1.00 H new ATOM 0 HG3 GLN A 75 16.241 19.998 -11.774 1.00 1.00 H new ATOM 0 HE21 GLN A 75 18.226 20.371 -12.797 1.00 1.00 H new ATOM 0 HE22 GLN A 75 19.348 19.056 -13.164 1.00 1.00 H new ATOM 1119 N VAL A 76 13.608 20.706 -12.139 1.00 1.00 N ATOM 1120 CA VAL A 76 12.954 21.520 -13.145 1.00 1.00 C ATOM 1121 C VAL A 76 13.231 20.965 -14.531 1.00 1.00 C ATOM 1122 O VAL A 76 14.338 21.071 -15.057 1.00 1.00 O ATOM 1123 CB VAL A 76 13.407 22.979 -13.092 1.00 1.00 C ATOM 1124 CG1 VAL A 76 12.534 23.845 -13.959 1.00 1.00 C ATOM 1125 CG2 VAL A 76 13.437 23.495 -11.665 1.00 1.00 C ATOM 0 H VAL A 76 14.358 21.175 -11.631 1.00 1.00 H new ATOM 0 HA VAL A 76 11.885 21.488 -12.933 1.00 1.00 H new ATOM 0 HB VAL A 76 14.424 23.025 -13.483 1.00 1.00 H new ATOM 0 HG11 VAL A 76 12.877 24.878 -13.904 1.00 1.00 H new ATOM 0 HG12 VAL A 76 12.589 23.499 -14.991 1.00 1.00 H new ATOM 0 HG13 VAL A 76 11.503 23.786 -13.611 1.00 1.00 H new ATOM 0 HG21 VAL A 76 13.763 24.535 -11.661 1.00 1.00 H new ATOM 0 HG22 VAL A 76 12.439 23.426 -11.232 1.00 1.00 H new ATOM 0 HG23 VAL A 76 14.130 22.895 -11.076 1.00 1.00 H new ATOM 1135 N GLY A 77 12.220 20.323 -15.077 1.00 1.00 N ATOM 1136 CA GLY A 77 12.328 19.718 -16.381 1.00 1.00 C ATOM 1137 C GLY A 77 11.364 20.345 -17.351 1.00 1.00 C ATOM 1138 O GLY A 77 10.660 21.293 -16.997 1.00 1.00 O ATOM 0 H GLY A 77 11.310 20.208 -14.632 1.00 1.00 H new ATOM 0 HA2 GLY A 77 13.347 19.828 -16.753 1.00 1.00 H new ATOM 0 HA3 GLY A 77 12.130 18.649 -16.307 1.00 1.00 H new ATOM 1142 N THR A 78 11.259 19.756 -18.527 1.00 1.00 N ATOM 1143 CA THR A 78 10.380 20.255 -19.568 1.00 1.00 C ATOM 1144 C THR A 78 8.936 20.342 -19.080 1.00 1.00 C ATOM 1145 O THR A 78 8.265 21.353 -19.287 1.00 1.00 O ATOM 1146 CB THR A 78 10.467 19.352 -20.803 1.00 1.00 C ATOM 1147 OG1 THR A 78 11.807 19.370 -21.307 1.00 1.00 O ATOM 1148 CG2 THR A 78 9.492 19.795 -21.886 1.00 1.00 C ATOM 0 H THR A 78 11.780 18.919 -18.788 1.00 1.00 H new ATOM 0 HA THR A 78 10.705 21.261 -19.833 1.00 1.00 H new ATOM 0 HB THR A 78 10.195 18.338 -20.511 1.00 1.00 H new ATOM 0 HG1 THR A 78 11.867 18.792 -22.096 1.00 1.00 H new ATOM 0 HG21 THR A 78 9.580 19.133 -22.748 1.00 1.00 H new ATOM 0 HG22 THR A 78 8.474 19.753 -21.498 1.00 1.00 H new ATOM 0 HG23 THR A 78 9.723 20.816 -22.188 1.00 1.00 H new ATOM 1156 N GLU A 79 8.476 19.300 -18.388 1.00 1.00 N ATOM 1157 CA GLU A 79 7.117 19.279 -17.856 1.00 1.00 C ATOM 1158 C GLU A 79 6.891 20.426 -16.869 1.00 1.00 C ATOM 1159 O GLU A 79 5.772 20.913 -16.716 1.00 1.00 O ATOM 1160 CB GLU A 79 6.818 17.941 -17.175 1.00 1.00 C ATOM 1161 CG GLU A 79 7.795 17.575 -16.068 1.00 1.00 C ATOM 1162 CD GLU A 79 7.286 16.448 -15.192 1.00 1.00 C ATOM 1163 OE1 GLU A 79 7.325 15.279 -15.636 1.00 1.00 O ATOM 1164 OE2 GLU A 79 6.850 16.730 -14.059 1.00 1.00 O ATOM 0 H GLU A 79 9.023 18.464 -18.184 1.00 1.00 H new ATOM 0 HA GLU A 79 6.435 19.406 -18.697 1.00 1.00 H new ATOM 0 HB2 GLU A 79 5.811 17.974 -16.760 1.00 1.00 H new ATOM 0 HB3 GLU A 79 6.827 17.153 -17.928 1.00 1.00 H new ATOM 0 HG2 GLU A 79 8.748 17.285 -16.511 1.00 1.00 H new ATOM 0 HG3 GLU A 79 7.985 18.453 -15.451 1.00 1.00 H new ATOM 1171 N HIS A 80 7.958 20.845 -16.194 1.00 1.00 N ATOM 1172 CA HIS A 80 7.862 21.929 -15.225 1.00 1.00 C ATOM 1173 C HIS A 80 7.842 23.270 -15.939 1.00 1.00 C ATOM 1174 O HIS A 80 7.042 24.140 -15.616 1.00 1.00 O ATOM 1175 CB HIS A 80 9.003 21.862 -14.195 1.00 1.00 C ATOM 1176 CG HIS A 80 8.953 20.605 -13.375 1.00 1.00 C ATOM 1177 ND1 HIS A 80 9.501 19.405 -13.784 1.00 1.00 N ATOM 1178 CD2 HIS A 80 8.383 20.361 -12.172 1.00 1.00 C ATOM 1179 CE1 HIS A 80 9.271 18.484 -12.865 1.00 1.00 C ATOM 1180 NE2 HIS A 80 8.597 19.038 -11.879 1.00 1.00 N ATOM 0 H HIS A 80 8.893 20.452 -16.300 1.00 1.00 H new ATOM 0 HA HIS A 80 6.927 21.817 -14.677 1.00 1.00 H new ATOM 0 HB2 HIS A 80 9.961 21.919 -14.712 1.00 1.00 H new ATOM 0 HB3 HIS A 80 8.945 22.727 -13.535 1.00 1.00 H new ATOM 0 HD2 HIS A 80 7.857 21.076 -11.556 1.00 1.00 H new ATOM 0 HE1 HIS A 80 9.583 17.451 -12.914 1.00 1.00 H new ATOM 0 HE2 HIS A 80 8.284 18.561 -11.034 1.00 1.00 H new ATOM 1189 N LEU A 81 8.689 23.406 -16.950 1.00 1.00 N ATOM 1190 CA LEU A 81 8.759 24.631 -17.739 1.00 1.00 C ATOM 1191 C LEU A 81 7.478 24.839 -18.538 1.00 1.00 C ATOM 1192 O LEU A 81 7.164 25.955 -18.954 1.00 1.00 O ATOM 1193 CB LEU A 81 9.949 24.562 -18.699 1.00 1.00 C ATOM 1194 CG LEU A 81 11.291 24.214 -18.055 1.00 1.00 C ATOM 1195 CD1 LEU A 81 12.303 23.835 -19.122 1.00 1.00 C ATOM 1196 CD2 LEU A 81 11.811 25.376 -17.223 1.00 1.00 C ATOM 0 H LEU A 81 9.341 22.679 -17.245 1.00 1.00 H new ATOM 0 HA LEU A 81 8.883 25.470 -17.054 1.00 1.00 H new ATOM 0 HB2 LEU A 81 9.731 23.821 -19.468 1.00 1.00 H new ATOM 0 HB3 LEU A 81 10.045 25.524 -19.202 1.00 1.00 H new ATOM 0 HG LEU A 81 11.141 23.362 -17.392 1.00 1.00 H new ATOM 0 HD11 LEU A 81 13.254 23.589 -18.650 1.00 1.00 H new ATOM 0 HD12 LEU A 81 11.940 22.970 -19.677 1.00 1.00 H new ATOM 0 HD13 LEU A 81 12.442 24.673 -19.805 1.00 1.00 H new ATOM 0 HD21 LEU A 81 12.767 25.104 -16.775 1.00 1.00 H new ATOM 0 HD22 LEU A 81 11.945 26.249 -17.861 1.00 1.00 H new ATOM 0 HD23 LEU A 81 11.094 25.609 -16.435 1.00 1.00 H new ATOM 1208 N ALA A 82 6.744 23.758 -18.757 1.00 1.00 N ATOM 1209 CA ALA A 82 5.517 23.806 -19.539 1.00 1.00 C ATOM 1210 C ALA A 82 4.321 24.179 -18.675 1.00 1.00 C ATOM 1211 O ALA A 82 3.199 24.278 -19.170 1.00 1.00 O ATOM 1212 CB ALA A 82 5.274 22.466 -20.202 1.00 1.00 C ATOM 0 H ALA A 82 6.979 22.831 -18.402 1.00 1.00 H new ATOM 0 HA ALA A 82 5.635 24.575 -20.302 1.00 1.00 H new ATOM 0 HB1 ALA A 82 4.354 22.510 -20.785 1.00 1.00 H new ATOM 0 HB2 ALA A 82 6.110 22.229 -20.860 1.00 1.00 H new ATOM 0 HB3 ALA A 82 5.183 21.693 -19.438 1.00 1.00 H new ATOM 1218 N ALA A 83 4.551 24.294 -17.375 1.00 1.00 N ATOM 1219 CA ALA A 83 3.492 24.657 -16.443 1.00 1.00 C ATOM 1220 C ALA A 83 2.876 26.014 -16.788 1.00 1.00 C ATOM 1221 O ALA A 83 3.541 26.884 -17.355 1.00 1.00 O ATOM 1222 CB ALA A 83 4.019 24.658 -15.019 1.00 1.00 C ATOM 0 H ALA A 83 5.461 24.141 -16.941 1.00 1.00 H new ATOM 0 HA ALA A 83 2.705 23.908 -16.528 1.00 1.00 H new ATOM 0 HB1 ALA A 83 3.216 24.931 -14.334 1.00 1.00 H new ATOM 0 HB2 ALA A 83 4.388 23.664 -14.767 1.00 1.00 H new ATOM 0 HB3 ALA A 83 4.831 25.380 -14.932 1.00 1.00 H new ATOM 1228 N ASP A 84 1.601 26.183 -16.433 1.00 1.00 N ATOM 1229 CA ASP A 84 0.877 27.433 -16.689 1.00 1.00 C ATOM 1230 C ASP A 84 1.320 28.492 -15.695 1.00 1.00 C ATOM 1231 O ASP A 84 1.174 29.691 -15.935 1.00 1.00 O ATOM 1232 CB ASP A 84 -0.647 27.226 -16.575 1.00 1.00 C ATOM 1233 CG ASP A 84 -1.434 28.385 -17.173 1.00 1.00 C ATOM 1234 OD1 ASP A 84 -1.230 28.692 -18.366 1.00 1.00 O ATOM 1235 OD2 ASP A 84 -2.279 28.969 -16.460 1.00 1.00 O ATOM 0 H ASP A 84 1.045 25.467 -15.965 1.00 1.00 H new ATOM 0 HA ASP A 84 1.105 27.758 -17.704 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -0.925 26.302 -17.081 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -0.918 27.109 -15.526 1.00 1.00 H new ATOM 1240 N LEU A 85 1.967 28.040 -14.628 1.00 1.00 N ATOM 1241 CA LEU A 85 2.391 28.922 -13.567 1.00 1.00 C ATOM 1242 C LEU A 85 3.552 28.290 -12.830 1.00 1.00 C ATOM 1243 O LEU A 85 3.432 27.203 -12.270 1.00 1.00 O ATOM 1244 CB LEU A 85 1.236 29.158 -12.590 1.00 1.00 C ATOM 1245 CG LEU A 85 1.348 30.380 -11.666 1.00 1.00 C ATOM 1246 CD1 LEU A 85 0.368 30.241 -10.535 1.00 1.00 C ATOM 1247 CD2 LEU A 85 2.740 30.549 -11.094 1.00 1.00 C ATOM 0 H LEU A 85 2.207 27.060 -14.481 1.00 1.00 H new ATOM 0 HA LEU A 85 2.698 29.877 -13.993 1.00 1.00 H new ATOM 0 HB2 LEU A 85 0.317 29.252 -13.168 1.00 1.00 H new ATOM 0 HB3 LEU A 85 1.131 28.270 -11.967 1.00 1.00 H new ATOM 0 HG LEU A 85 1.127 31.262 -12.267 1.00 1.00 H new ATOM 0 HD11 LEU A 85 0.446 31.107 -9.878 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -0.644 30.179 -10.936 1.00 1.00 H new ATOM 0 HD13 LEU A 85 0.590 29.336 -9.970 1.00 1.00 H new ATOM 0 HD21 LEU A 85 2.764 31.427 -10.448 1.00 1.00 H new ATOM 0 HD22 LEU A 85 3.005 29.665 -10.514 1.00 1.00 H new ATOM 0 HD23 LEU A 85 3.454 30.677 -11.907 1.00 1.00 H new ATOM 1259 N LEU A 86 4.688 28.940 -12.892 1.00 1.00 N ATOM 1260 CA LEU A 86 5.843 28.473 -12.202 1.00 1.00 C ATOM 1261 C LEU A 86 6.108 29.357 -11.000 1.00 1.00 C ATOM 1262 O LEU A 86 6.570 30.483 -11.131 1.00 1.00 O ATOM 1263 CB LEU A 86 7.011 28.425 -13.164 1.00 1.00 C ATOM 1264 CG LEU A 86 6.821 27.432 -14.316 1.00 1.00 C ATOM 1265 CD1 LEU A 86 5.820 27.917 -15.339 1.00 1.00 C ATOM 1266 CD2 LEU A 86 8.131 27.183 -14.982 1.00 1.00 C ATOM 0 H LEU A 86 4.828 29.801 -13.421 1.00 1.00 H new ATOM 0 HA LEU A 86 5.687 27.462 -11.826 1.00 1.00 H new ATOM 0 HB2 LEU A 86 7.171 29.421 -13.577 1.00 1.00 H new ATOM 0 HB3 LEU A 86 7.913 28.160 -12.613 1.00 1.00 H new ATOM 0 HG LEU A 86 6.429 26.509 -13.888 1.00 1.00 H new ATOM 0 HD11 LEU A 86 5.723 27.176 -16.133 1.00 1.00 H new ATOM 0 HD12 LEU A 86 4.852 28.064 -14.860 1.00 1.00 H new ATOM 0 HD13 LEU A 86 6.162 28.861 -15.763 1.00 1.00 H new ATOM 0 HD21 LEU A 86 7.994 26.477 -15.801 1.00 1.00 H new ATOM 0 HD22 LEU A 86 8.524 28.121 -15.374 1.00 1.00 H new ATOM 0 HD23 LEU A 86 8.834 26.769 -14.259 1.00 1.00 H new ATOM 1278 N VAL A 87 5.817 28.817 -9.833 1.00 1.00 N ATOM 1279 CA VAL A 87 5.940 29.565 -8.589 1.00 1.00 C ATOM 1280 C VAL A 87 7.364 29.502 -8.053 1.00 1.00 C ATOM 1281 O VAL A 87 7.764 28.543 -7.398 1.00 1.00 O ATOM 1282 CB VAL A 87 4.952 29.054 -7.520 1.00 1.00 C ATOM 1283 CG1 VAL A 87 5.248 29.659 -6.164 1.00 1.00 C ATOM 1284 CG2 VAL A 87 3.529 29.375 -7.915 1.00 1.00 C ATOM 0 H VAL A 87 5.491 27.857 -9.716 1.00 1.00 H new ATOM 0 HA VAL A 87 5.694 30.603 -8.813 1.00 1.00 H new ATOM 0 HB VAL A 87 5.073 27.973 -7.453 1.00 1.00 H new ATOM 0 HG11 VAL A 87 4.535 29.279 -5.433 1.00 1.00 H new ATOM 0 HG12 VAL A 87 6.259 29.390 -5.858 1.00 1.00 H new ATOM 0 HG13 VAL A 87 5.164 30.744 -6.223 1.00 1.00 H new ATOM 0 HG21 VAL A 87 2.847 29.007 -7.149 1.00 1.00 H new ATOM 0 HG22 VAL A 87 3.414 30.454 -8.015 1.00 1.00 H new ATOM 0 HG23 VAL A 87 3.299 28.896 -8.867 1.00 1.00 H new ATOM 1294 N ALA A 88 8.151 30.489 -8.415 1.00 1.00 N ATOM 1295 CA ALA A 88 9.524 30.549 -7.964 1.00 1.00 C ATOM 1296 C ALA A 88 9.603 31.127 -6.561 1.00 1.00 C ATOM 1297 O ALA A 88 8.812 31.996 -6.184 1.00 1.00 O ATOM 1298 CB ALA A 88 10.374 31.344 -8.931 1.00 1.00 C ATOM 0 H ALA A 88 7.866 31.260 -9.019 1.00 1.00 H new ATOM 0 HA ALA A 88 9.918 29.533 -7.932 1.00 1.00 H new ATOM 0 HB1 ALA A 88 11.402 31.375 -8.571 1.00 1.00 H new ATOM 0 HB2 ALA A 88 10.348 30.871 -9.913 1.00 1.00 H new ATOM 0 HB3 ALA A 88 9.985 32.359 -9.007 1.00 1.00 H new ATOM 1304 N LEU A 89 10.551 30.628 -5.784 1.00 1.00 N ATOM 1305 CA LEU A 89 10.755 31.100 -4.425 1.00 1.00 C ATOM 1306 C LEU A 89 11.858 32.150 -4.399 1.00 1.00 C ATOM 1307 O LEU A 89 12.116 32.778 -3.376 1.00 1.00 O ATOM 1308 CB LEU A 89 11.113 29.933 -3.497 1.00 1.00 C ATOM 1309 CG LEU A 89 9.922 29.152 -2.921 1.00 1.00 C ATOM 1310 CD1 LEU A 89 9.009 30.073 -2.122 1.00 1.00 C ATOM 1311 CD2 LEU A 89 9.141 28.451 -4.026 1.00 1.00 C ATOM 0 H LEU A 89 11.195 29.892 -6.074 1.00 1.00 H new ATOM 0 HA LEU A 89 9.828 31.550 -4.070 1.00 1.00 H new ATOM 0 HB2 LEU A 89 11.749 29.238 -4.046 1.00 1.00 H new ATOM 0 HB3 LEU A 89 11.705 30.320 -2.668 1.00 1.00 H new ATOM 0 HG LEU A 89 10.315 28.389 -2.249 1.00 1.00 H new ATOM 0 HD11 LEU A 89 8.172 29.499 -1.723 1.00 1.00 H new ATOM 0 HD12 LEU A 89 9.570 30.517 -1.299 1.00 1.00 H new ATOM 0 HD13 LEU A 89 8.631 30.863 -2.771 1.00 1.00 H new ATOM 0 HD21 LEU A 89 8.304 27.906 -3.590 1.00 1.00 H new ATOM 0 HD22 LEU A 89 8.764 29.192 -4.731 1.00 1.00 H new ATOM 0 HD23 LEU A 89 9.796 27.753 -4.548 1.00 1.00 H new ATOM 1323 N ASP A 90 12.503 32.330 -5.541 1.00 1.00 N ATOM 1324 CA ASP A 90 13.575 33.303 -5.663 1.00 1.00 C ATOM 1325 C ASP A 90 13.721 33.773 -7.109 1.00 1.00 C ATOM 1326 O ASP A 90 13.389 33.041 -8.046 1.00 1.00 O ATOM 1327 CB ASP A 90 14.885 32.711 -5.123 1.00 1.00 C ATOM 1328 CG ASP A 90 16.025 32.766 -6.112 1.00 1.00 C ATOM 1329 OD1 ASP A 90 16.718 33.801 -6.160 1.00 1.00 O ATOM 1330 OD2 ASP A 90 16.239 31.777 -6.832 1.00 1.00 O ATOM 0 H ASP A 90 12.302 31.814 -6.397 1.00 1.00 H new ATOM 0 HA ASP A 90 13.328 34.179 -5.064 1.00 1.00 H new ATOM 0 HB2 ASP A 90 15.172 33.249 -4.220 1.00 1.00 H new ATOM 0 HB3 ASP A 90 14.714 31.674 -4.835 1.00 1.00 H new ATOM 1335 N ARG A 91 14.188 35.009 -7.257 1.00 1.00 N ATOM 1336 CA ARG A 91 14.349 35.652 -8.565 1.00 1.00 C ATOM 1337 C ARG A 91 15.269 34.866 -9.501 1.00 1.00 C ATOM 1338 O ARG A 91 15.127 34.944 -10.722 1.00 1.00 O ATOM 1339 CB ARG A 91 14.884 37.075 -8.394 1.00 1.00 C ATOM 1340 CG ARG A 91 16.163 37.163 -7.572 1.00 1.00 C ATOM 1341 CD ARG A 91 16.690 38.588 -7.520 1.00 1.00 C ATOM 1342 NE ARG A 91 15.713 39.522 -6.953 1.00 1.00 N ATOM 1343 CZ ARG A 91 15.921 40.836 -6.831 1.00 1.00 C ATOM 1344 NH1 ARG A 91 17.068 41.374 -7.236 1.00 1.00 N ATOM 1345 NH2 ARG A 91 14.984 41.612 -6.299 1.00 1.00 N ATOM 0 H ARG A 91 14.468 35.598 -6.473 1.00 1.00 H new ATOM 0 HA ARG A 91 13.361 35.678 -9.025 1.00 1.00 H new ATOM 0 HB2 ARG A 91 15.068 37.504 -9.379 1.00 1.00 H new ATOM 0 HB3 ARG A 91 14.116 37.686 -7.919 1.00 1.00 H new ATOM 0 HG2 ARG A 91 15.972 36.806 -6.560 1.00 1.00 H new ATOM 0 HG3 ARG A 91 16.921 36.508 -8.003 1.00 1.00 H new ATOM 0 HD2 ARG A 91 17.602 38.614 -6.924 1.00 1.00 H new ATOM 0 HD3 ARG A 91 16.957 38.911 -8.526 1.00 1.00 H new ATOM 0 HE ARG A 91 14.821 39.146 -6.632 1.00 1.00 H new ATOM 0 HH11 ARG A 91 17.793 40.783 -7.642 1.00 1.00 H new ATOM 0 HH12 ARG A 91 17.222 42.378 -7.141 1.00 1.00 H new ATOM 0 HH21 ARG A 91 14.104 41.205 -5.983 1.00 1.00 H new ATOM 0 HH22 ARG A 91 15.144 42.615 -6.207 1.00 1.00 H new ATOM 1359 N ASN A 92 16.153 34.058 -8.936 1.00 1.00 N ATOM 1360 CA ASN A 92 17.084 33.287 -9.748 1.00 1.00 C ATOM 1361 C ASN A 92 16.373 32.096 -10.362 1.00 1.00 C ATOM 1362 O ASN A 92 16.518 31.829 -11.550 1.00 1.00 O ATOM 1363 CB ASN A 92 18.281 32.826 -8.922 1.00 1.00 C ATOM 1364 CG ASN A 92 19.274 33.940 -8.663 1.00 1.00 C ATOM 1365 OD1 ASN A 92 19.445 34.844 -9.482 1.00 1.00 O ATOM 1366 ND2 ASN A 92 19.938 33.885 -7.522 1.00 1.00 N ATOM 0 H ASN A 92 16.246 33.919 -7.930 1.00 1.00 H new ATOM 0 HA ASN A 92 17.456 33.929 -10.547 1.00 1.00 H new ATOM 0 HB2 ASN A 92 17.929 32.429 -7.970 1.00 1.00 H new ATOM 0 HB3 ASN A 92 18.783 32.010 -9.441 1.00 1.00 H new ATOM 0 HD21 ASN A 92 20.621 34.608 -7.294 1.00 1.00 H new ATOM 0 HD22 ASN A 92 19.768 33.120 -6.869 1.00 1.00 H new ATOM 1373 N HIS A 93 15.621 31.367 -9.537 1.00 1.00 N ATOM 1374 CA HIS A 93 14.831 30.239 -10.025 1.00 1.00 C ATOM 1375 C HIS A 93 13.906 30.711 -11.138 1.00 1.00 C ATOM 1376 O HIS A 93 13.888 30.126 -12.217 1.00 1.00 O ATOM 1377 CB HIS A 93 13.998 29.584 -8.911 1.00 1.00 C ATOM 1378 CG HIS A 93 14.767 29.277 -7.665 1.00 1.00 C ATOM 1379 ND1 HIS A 93 14.265 29.492 -6.404 1.00 1.00 N ATOM 1380 CD2 HIS A 93 16.017 28.791 -7.490 1.00 1.00 C ATOM 1381 CE1 HIS A 93 15.171 29.159 -5.510 1.00 1.00 C ATOM 1382 NE2 HIS A 93 16.252 28.730 -6.137 1.00 1.00 N ATOM 0 H HIS A 93 15.543 31.537 -8.534 1.00 1.00 H new ATOM 0 HA HIS A 93 15.527 29.489 -10.399 1.00 1.00 H new ATOM 0 HB2 HIS A 93 13.168 30.244 -8.658 1.00 1.00 H new ATOM 0 HB3 HIS A 93 13.565 28.660 -9.293 1.00 1.00 H new ATOM 0 HD1 HIS A 93 13.335 29.854 -6.194 1.00 1.00 H new ATOM 0 HD2 HIS A 93 16.705 28.503 -8.271 1.00 1.00 H new ATOM 0 HE1 HIS A 93 15.051 29.225 -4.439 1.00 1.00 H new ATOM 1391 N ALA A 94 13.198 31.820 -10.889 1.00 1.00 N ATOM 1392 CA ALA A 94 12.282 32.391 -11.876 1.00 1.00 C ATOM 1393 C ALA A 94 13.024 32.713 -13.169 1.00 1.00 C ATOM 1394 O ALA A 94 12.525 32.455 -14.265 1.00 1.00 O ATOM 1395 CB ALA A 94 11.607 33.644 -11.319 1.00 1.00 C ATOM 0 H ALA A 94 13.244 32.337 -10.011 1.00 1.00 H new ATOM 0 HA ALA A 94 11.510 31.654 -12.096 1.00 1.00 H new ATOM 0 HB1 ALA A 94 10.929 34.055 -12.067 1.00 1.00 H new ATOM 0 HB2 ALA A 94 11.044 33.386 -10.422 1.00 1.00 H new ATOM 0 HB3 ALA A 94 12.366 34.386 -11.070 1.00 1.00 H new ATOM 1401 N ARG A 95 14.221 33.279 -13.019 1.00 1.00 N ATOM 1402 CA ARG A 95 15.076 33.617 -14.150 1.00 1.00 C ATOM 1403 C ARG A 95 15.402 32.388 -14.980 1.00 1.00 C ATOM 1404 O ARG A 95 15.242 32.391 -16.201 1.00 1.00 O ATOM 1405 CB ARG A 95 16.386 34.247 -13.662 1.00 1.00 C ATOM 1406 CG ARG A 95 17.539 34.049 -14.636 1.00 1.00 C ATOM 1407 CD ARG A 95 18.800 34.773 -14.195 1.00 1.00 C ATOM 1408 NE ARG A 95 19.670 33.907 -13.396 1.00 1.00 N ATOM 1409 CZ ARG A 95 20.735 34.328 -12.716 1.00 1.00 C ATOM 1410 NH1 ARG A 95 21.035 35.622 -12.661 1.00 1.00 N ATOM 1411 NH2 ARG A 95 21.506 33.450 -12.086 1.00 1.00 N ATOM 0 H ARG A 95 14.622 33.515 -12.111 1.00 1.00 H new ATOM 0 HA ARG A 95 14.531 34.330 -14.769 1.00 1.00 H new ATOM 0 HB2 ARG A 95 16.232 35.314 -13.502 1.00 1.00 H new ATOM 0 HB3 ARG A 95 16.654 33.815 -12.698 1.00 1.00 H new ATOM 0 HG2 ARG A 95 17.750 32.984 -14.734 1.00 1.00 H new ATOM 0 HG3 ARG A 95 17.244 34.407 -15.622 1.00 1.00 H new ATOM 0 HD2 ARG A 95 19.343 35.125 -15.072 1.00 1.00 H new ATOM 0 HD3 ARG A 95 18.529 35.654 -13.613 1.00 1.00 H new ATOM 0 HE ARG A 95 19.445 32.913 -13.358 1.00 1.00 H new ATOM 0 HH11 ARG A 95 20.447 36.303 -13.142 1.00 1.00 H new ATOM 0 HH12 ARG A 95 21.853 35.934 -12.137 1.00 1.00 H new ATOM 0 HH21 ARG A 95 21.282 32.456 -12.123 1.00 1.00 H new ATOM 0 HH22 ARG A 95 22.322 33.770 -11.565 1.00 1.00 H new ATOM 1425 N LEU A 96 15.790 31.322 -14.298 1.00 1.00 N ATOM 1426 CA LEU A 96 16.229 30.114 -14.972 1.00 1.00 C ATOM 1427 C LEU A 96 15.094 29.528 -15.789 1.00 1.00 C ATOM 1428 O LEU A 96 15.230 29.306 -16.982 1.00 1.00 O ATOM 1429 CB LEU A 96 16.724 29.078 -13.956 1.00 1.00 C ATOM 1430 CG LEU A 96 17.785 29.582 -12.978 1.00 1.00 C ATOM 1431 CD1 LEU A 96 18.251 28.459 -12.063 1.00 1.00 C ATOM 1432 CD2 LEU A 96 18.962 30.179 -13.731 1.00 1.00 C ATOM 0 H LEU A 96 15.809 31.270 -13.279 1.00 1.00 H new ATOM 0 HA LEU A 96 17.052 30.374 -15.637 1.00 1.00 H new ATOM 0 HB2 LEU A 96 15.869 28.715 -13.385 1.00 1.00 H new ATOM 0 HB3 LEU A 96 17.130 28.225 -14.499 1.00 1.00 H new ATOM 0 HG LEU A 96 17.338 30.362 -12.361 1.00 1.00 H new ATOM 0 HD11 LEU A 96 19.006 28.840 -11.375 1.00 1.00 H new ATOM 0 HD12 LEU A 96 17.403 28.077 -11.495 1.00 1.00 H new ATOM 0 HD13 LEU A 96 18.679 27.655 -12.662 1.00 1.00 H new ATOM 0 HD21 LEU A 96 19.708 30.533 -13.019 1.00 1.00 H new ATOM 0 HD22 LEU A 96 19.406 29.419 -14.374 1.00 1.00 H new ATOM 0 HD23 LEU A 96 18.618 31.014 -14.341 1.00 1.00 H new ATOM 1444 N LEU A 97 13.952 29.377 -15.144 1.00 1.00 N ATOM 1445 CA LEU A 97 12.772 28.802 -15.770 1.00 1.00 C ATOM 1446 C LEU A 97 12.405 29.539 -17.047 1.00 1.00 C ATOM 1447 O LEU A 97 12.353 28.946 -18.125 1.00 1.00 O ATOM 1448 CB LEU A 97 11.587 28.886 -14.807 1.00 1.00 C ATOM 1449 CG LEU A 97 11.873 28.454 -13.374 1.00 1.00 C ATOM 1450 CD1 LEU A 97 10.662 28.696 -12.494 1.00 1.00 C ATOM 1451 CD2 LEU A 97 12.289 27.001 -13.324 1.00 1.00 C ATOM 0 H LEU A 97 13.815 29.649 -14.171 1.00 1.00 H new ATOM 0 HA LEU A 97 12.999 27.764 -16.014 1.00 1.00 H new ATOM 0 HB2 LEU A 97 11.225 29.914 -14.793 1.00 1.00 H new ATOM 0 HB3 LEU A 97 10.778 28.269 -15.199 1.00 1.00 H new ATOM 0 HG LEU A 97 12.699 29.055 -12.994 1.00 1.00 H new ATOM 0 HD11 LEU A 97 10.885 28.382 -11.474 1.00 1.00 H new ATOM 0 HD12 LEU A 97 10.414 29.757 -12.500 1.00 1.00 H new ATOM 0 HD13 LEU A 97 9.816 28.123 -12.874 1.00 1.00 H new ATOM 0 HD21 LEU A 97 12.488 26.715 -12.291 1.00 1.00 H new ATOM 0 HD22 LEU A 97 11.488 26.379 -13.725 1.00 1.00 H new ATOM 0 HD23 LEU A 97 13.191 26.860 -13.920 1.00 1.00 H new ATOM 1463 N ARG A 98 12.180 30.841 -16.925 1.00 1.00 N ATOM 1464 CA ARG A 98 11.736 31.639 -18.053 1.00 1.00 C ATOM 1465 C ARG A 98 12.750 31.614 -19.196 1.00 1.00 C ATOM 1466 O ARG A 98 12.375 31.432 -20.351 1.00 1.00 O ATOM 1467 CB ARG A 98 11.426 33.073 -17.612 1.00 1.00 C ATOM 1468 CG ARG A 98 12.634 33.880 -17.180 1.00 1.00 C ATOM 1469 CD ARG A 98 12.215 35.103 -16.392 1.00 1.00 C ATOM 1470 NE ARG A 98 13.166 36.203 -16.527 1.00 1.00 N ATOM 1471 CZ ARG A 98 12.938 37.444 -16.095 1.00 1.00 C ATOM 1472 NH1 ARG A 98 11.804 37.741 -15.475 1.00 1.00 N ATOM 1473 NH2 ARG A 98 13.847 38.390 -16.292 1.00 1.00 N ATOM 0 H ARG A 98 12.298 31.363 -16.057 1.00 1.00 H new ATOM 0 HA ARG A 98 10.816 31.195 -18.433 1.00 1.00 H new ATOM 0 HB2 ARG A 98 10.934 33.593 -18.434 1.00 1.00 H new ATOM 0 HB3 ARG A 98 10.715 33.039 -16.786 1.00 1.00 H new ATOM 0 HG2 ARG A 98 13.292 33.259 -16.572 1.00 1.00 H new ATOM 0 HG3 ARG A 98 13.204 34.186 -18.057 1.00 1.00 H new ATOM 0 HD2 ARG A 98 11.233 35.432 -16.731 1.00 1.00 H new ATOM 0 HD3 ARG A 98 12.117 34.838 -15.339 1.00 1.00 H new ATOM 0 HE ARG A 98 14.060 36.010 -16.980 1.00 1.00 H new ATOM 0 HH11 ARG A 98 11.100 37.018 -15.326 1.00 1.00 H new ATOM 0 HH12 ARG A 98 11.636 38.692 -15.147 1.00 1.00 H new ATOM 0 HH21 ARG A 98 14.718 38.168 -16.773 1.00 1.00 H new ATOM 0 HH22 ARG A 98 13.674 39.340 -15.962 1.00 1.00 H new ATOM 1487 N GLN A 99 14.033 31.729 -18.876 1.00 1.00 N ATOM 1488 CA GLN A 99 15.065 31.698 -19.901 1.00 1.00 C ATOM 1489 C GLN A 99 15.146 30.302 -20.528 1.00 1.00 C ATOM 1490 O GLN A 99 15.478 30.156 -21.703 1.00 1.00 O ATOM 1491 CB GLN A 99 16.416 32.152 -19.321 1.00 1.00 C ATOM 1492 CG GLN A 99 17.144 31.115 -18.481 1.00 1.00 C ATOM 1493 CD GLN A 99 18.223 30.376 -19.253 1.00 1.00 C ATOM 1494 OE1 GLN A 99 18.127 30.187 -20.464 1.00 1.00 O ATOM 1495 NE2 GLN A 99 19.267 29.961 -18.556 1.00 1.00 N ATOM 0 H GLN A 99 14.380 31.843 -17.924 1.00 1.00 H new ATOM 0 HA GLN A 99 14.804 32.399 -20.694 1.00 1.00 H new ATOM 0 HB2 GLN A 99 17.065 32.449 -20.145 1.00 1.00 H new ATOM 0 HB3 GLN A 99 16.251 33.039 -18.710 1.00 1.00 H new ATOM 0 HG2 GLN A 99 17.594 31.606 -17.618 1.00 1.00 H new ATOM 0 HG3 GLN A 99 16.422 30.395 -18.097 1.00 1.00 H new ATOM 0 HE21 GLN A 99 19.312 30.136 -17.552 1.00 1.00 H new ATOM 0 HE22 GLN A 99 20.027 29.466 -19.022 1.00 1.00 H new ATOM 1504 N LEU A 100 14.729 29.298 -19.767 1.00 1.00 N ATOM 1505 CA LEU A 100 14.775 27.908 -20.214 1.00 1.00 C ATOM 1506 C LEU A 100 13.651 27.568 -21.194 1.00 1.00 C ATOM 1507 O LEU A 100 13.703 26.536 -21.868 1.00 1.00 O ATOM 1508 CB LEU A 100 14.724 26.967 -19.003 1.00 1.00 C ATOM 1509 CG LEU A 100 16.009 26.902 -18.174 1.00 1.00 C ATOM 1510 CD1 LEU A 100 16.013 25.668 -17.291 1.00 1.00 C ATOM 1511 CD2 LEU A 100 17.241 26.951 -19.067 1.00 1.00 C ATOM 0 H LEU A 100 14.351 29.421 -18.828 1.00 1.00 H new ATOM 0 HA LEU A 100 15.715 27.772 -20.748 1.00 1.00 H new ATOM 0 HB2 LEU A 100 13.907 27.281 -18.353 1.00 1.00 H new ATOM 0 HB3 LEU A 100 14.485 25.963 -19.353 1.00 1.00 H new ATOM 0 HG LEU A 100 16.042 27.778 -17.526 1.00 1.00 H new ATOM 0 HD11 LEU A 100 16.935 25.640 -16.710 1.00 1.00 H new ATOM 0 HD12 LEU A 100 15.158 25.701 -16.615 1.00 1.00 H new ATOM 0 HD13 LEU A 100 15.949 24.775 -17.913 1.00 1.00 H new ATOM 0 HD21 LEU A 100 18.139 26.903 -18.451 1.00 1.00 H new ATOM 0 HD22 LEU A 100 17.227 26.105 -19.754 1.00 1.00 H new ATOM 0 HD23 LEU A 100 17.241 27.880 -19.637 1.00 1.00 H new ATOM 1523 N GLY A 101 12.667 28.450 -21.309 1.00 1.00 N ATOM 1524 CA GLY A 101 11.555 28.194 -22.209 1.00 1.00 C ATOM 1525 C GLY A 101 10.277 28.862 -21.751 1.00 1.00 C ATOM 1526 O GLY A 101 9.400 29.172 -22.557 1.00 1.00 O ATOM 0 H GLY A 101 12.617 29.333 -20.800 1.00 1.00 H new ATOM 0 HA2 GLY A 101 11.810 28.549 -23.207 1.00 1.00 H new ATOM 0 HA3 GLY A 101 11.393 27.119 -22.285 1.00 1.00 H new ATOM 1530 N VAL A 102 10.178 29.068 -20.450 1.00 1.00 N ATOM 1531 CA VAL A 102 9.018 29.694 -19.829 1.00 1.00 C ATOM 1532 C VAL A 102 9.015 31.205 -20.113 1.00 1.00 C ATOM 1533 O VAL A 102 9.610 31.672 -21.088 1.00 1.00 O ATOM 1534 CB VAL A 102 9.010 29.425 -18.299 1.00 1.00 C ATOM 1535 CG1 VAL A 102 7.640 29.629 -17.688 1.00 1.00 C ATOM 1536 CG2 VAL A 102 9.471 28.021 -17.992 1.00 1.00 C ATOM 0 H VAL A 102 10.906 28.804 -19.786 1.00 1.00 H new ATOM 0 HA VAL A 102 8.115 29.259 -20.257 1.00 1.00 H new ATOM 0 HB VAL A 102 9.699 30.147 -17.861 1.00 1.00 H new ATOM 0 HG11 VAL A 102 7.686 29.429 -16.617 1.00 1.00 H new ATOM 0 HG12 VAL A 102 7.318 30.657 -17.852 1.00 1.00 H new ATOM 0 HG13 VAL A 102 6.928 28.948 -18.154 1.00 1.00 H new ATOM 0 HG21 VAL A 102 9.455 27.860 -16.914 1.00 1.00 H new ATOM 0 HG22 VAL A 102 8.805 27.306 -18.475 1.00 1.00 H new ATOM 0 HG23 VAL A 102 10.486 27.881 -18.365 1.00 1.00 H new ATOM 1546 N GLU A 103 8.365 31.957 -19.243 1.00 1.00 N ATOM 1547 CA GLU A 103 8.233 33.395 -19.372 1.00 1.00 C ATOM 1548 C GLU A 103 7.638 33.926 -18.081 1.00 1.00 C ATOM 1549 O GLU A 103 7.099 33.147 -17.294 1.00 1.00 O ATOM 1550 CB GLU A 103 7.322 33.749 -20.547 1.00 1.00 C ATOM 1551 CG GLU A 103 5.922 33.206 -20.408 1.00 1.00 C ATOM 1552 CD GLU A 103 5.108 33.365 -21.668 1.00 1.00 C ATOM 1553 OE1 GLU A 103 4.877 34.513 -22.085 1.00 1.00 O ATOM 1554 OE2 GLU A 103 4.691 32.335 -22.233 1.00 1.00 O ATOM 0 H GLU A 103 7.907 31.578 -18.414 1.00 1.00 H new ATOM 0 HA GLU A 103 9.210 33.842 -19.558 1.00 1.00 H new ATOM 0 HB2 GLU A 103 7.274 34.833 -20.646 1.00 1.00 H new ATOM 0 HB3 GLU A 103 7.763 33.364 -21.467 1.00 1.00 H new ATOM 0 HG2 GLU A 103 5.971 32.150 -20.143 1.00 1.00 H new ATOM 0 HG3 GLU A 103 5.418 33.717 -19.588 1.00 1.00 H new ATOM 1561 N ALA A 104 7.724 35.229 -17.856 1.00 1.00 N ATOM 1562 CA ALA A 104 7.245 35.807 -16.605 1.00 1.00 C ATOM 1563 C ALA A 104 5.735 35.694 -16.500 1.00 1.00 C ATOM 1564 O ALA A 104 5.167 35.844 -15.421 1.00 1.00 O ATOM 1565 CB ALA A 104 7.686 37.254 -16.474 1.00 1.00 C ATOM 0 H ALA A 104 8.116 35.902 -18.515 1.00 1.00 H new ATOM 0 HA ALA A 104 7.685 35.242 -15.783 1.00 1.00 H new ATOM 0 HB1 ALA A 104 7.317 37.663 -15.534 1.00 1.00 H new ATOM 0 HB2 ALA A 104 8.775 37.305 -16.490 1.00 1.00 H new ATOM 0 HB3 ALA A 104 7.283 37.834 -17.305 1.00 1.00 H new ATOM 1571 N ALA A 105 5.083 35.541 -17.647 1.00 1.00 N ATOM 1572 CA ALA A 105 3.649 35.311 -17.682 1.00 1.00 C ATOM 1573 C ALA A 105 3.307 34.056 -16.892 1.00 1.00 C ATOM 1574 O ALA A 105 2.315 34.009 -16.172 1.00 1.00 O ATOM 1575 CB ALA A 105 3.173 35.166 -19.117 1.00 1.00 C ATOM 0 H ALA A 105 5.528 35.573 -18.564 1.00 1.00 H new ATOM 0 HA ALA A 105 3.145 36.166 -17.231 1.00 1.00 H new ATOM 0 HB1 ALA A 105 2.097 34.994 -19.128 1.00 1.00 H new ATOM 0 HB2 ALA A 105 3.400 36.078 -19.670 1.00 1.00 H new ATOM 0 HB3 ALA A 105 3.680 34.322 -19.585 1.00 1.00 H new ATOM 1581 N ARG A 106 4.178 33.055 -17.013 1.00 1.00 N ATOM 1582 CA ARG A 106 3.974 31.767 -16.367 1.00 1.00 C ATOM 1583 C ARG A 106 4.707 31.721 -15.040 1.00 1.00 C ATOM 1584 O ARG A 106 4.146 31.325 -14.027 1.00 1.00 O ATOM 1585 CB ARG A 106 4.490 30.631 -17.250 1.00 1.00 C ATOM 1586 CG ARG A 106 4.365 30.901 -18.744 1.00 1.00 C ATOM 1587 CD ARG A 106 4.908 29.744 -19.563 1.00 1.00 C ATOM 1588 NE ARG A 106 4.736 29.939 -21.003 1.00 1.00 N ATOM 1589 CZ ARG A 106 4.802 28.958 -21.902 1.00 1.00 C ATOM 1590 NH1 ARG A 106 4.994 27.700 -21.515 1.00 1.00 N ATOM 1591 NH2 ARG A 106 4.681 29.230 -23.194 1.00 1.00 N ATOM 0 H ARG A 106 5.038 33.117 -17.558 1.00 1.00 H new ATOM 0 HA ARG A 106 2.903 31.643 -16.204 1.00 1.00 H new ATOM 0 HB2 ARG A 106 5.537 30.446 -17.011 1.00 1.00 H new ATOM 0 HB3 ARG A 106 3.942 29.720 -17.009 1.00 1.00 H new ATOM 0 HG2 ARG A 106 3.319 31.069 -18.999 1.00 1.00 H new ATOM 0 HG3 ARG A 106 4.905 31.813 -18.997 1.00 1.00 H new ATOM 0 HD2 ARG A 106 5.968 29.614 -19.342 1.00 1.00 H new ATOM 0 HD3 ARG A 106 4.405 28.825 -19.263 1.00 1.00 H new ATOM 0 HE ARG A 106 4.554 30.885 -21.339 1.00 1.00 H new ATOM 0 HH11 ARG A 106 5.092 27.481 -20.524 1.00 1.00 H new ATOM 0 HH12 ARG A 106 5.043 26.955 -22.210 1.00 1.00 H new ATOM 0 HH21 ARG A 106 4.537 30.192 -23.501 1.00 1.00 H new ATOM 0 HH22 ARG A 106 4.732 28.477 -23.881 1.00 1.00 H new ATOM 1605 N VAL A 107 5.958 32.170 -15.038 1.00 1.00 N ATOM 1606 CA VAL A 107 6.768 32.128 -13.837 1.00 1.00 C ATOM 1607 C VAL A 107 6.401 33.292 -12.917 1.00 1.00 C ATOM 1608 O VAL A 107 6.473 34.464 -13.296 1.00 1.00 O ATOM 1609 CB VAL A 107 8.282 32.147 -14.166 1.00 1.00 C ATOM 1610 CG1 VAL A 107 8.739 33.491 -14.689 1.00 1.00 C ATOM 1611 CG2 VAL A 107 9.093 31.735 -12.954 1.00 1.00 C ATOM 0 H VAL A 107 6.427 32.565 -15.853 1.00 1.00 H new ATOM 0 HA VAL A 107 6.560 31.189 -13.324 1.00 1.00 H new ATOM 0 HB VAL A 107 8.449 31.424 -14.964 1.00 1.00 H new ATOM 0 HG11 VAL A 107 9.807 33.453 -14.905 1.00 1.00 H new ATOM 0 HG12 VAL A 107 8.193 33.731 -15.601 1.00 1.00 H new ATOM 0 HG13 VAL A 107 8.547 34.258 -13.938 1.00 1.00 H new ATOM 0 HG21 VAL A 107 10.154 31.754 -13.203 1.00 1.00 H new ATOM 0 HG22 VAL A 107 8.900 32.427 -12.135 1.00 1.00 H new ATOM 0 HG23 VAL A 107 8.809 30.727 -12.652 1.00 1.00 H new ATOM 1621 N ARG A 108 5.955 32.966 -11.721 1.00 1.00 N ATOM 1622 CA ARG A 108 5.534 33.973 -10.770 1.00 1.00 C ATOM 1623 C ARG A 108 6.113 33.651 -9.405 1.00 1.00 C ATOM 1624 O ARG A 108 6.292 32.489 -9.055 1.00 1.00 O ATOM 1625 CB ARG A 108 4.000 34.050 -10.683 1.00 1.00 C ATOM 1626 CG ARG A 108 3.296 34.114 -12.031 1.00 1.00 C ATOM 1627 CD ARG A 108 3.495 35.457 -12.710 1.00 1.00 C ATOM 1628 NE ARG A 108 2.642 36.501 -12.142 1.00 1.00 N ATOM 1629 CZ ARG A 108 2.894 37.801 -12.258 1.00 1.00 C ATOM 1630 NH1 ARG A 108 4.011 38.216 -12.841 1.00 1.00 N ATOM 1631 NH2 ARG A 108 2.029 38.688 -11.779 1.00 1.00 N ATOM 0 H ARG A 108 5.875 32.007 -11.384 1.00 1.00 H new ATOM 0 HA ARG A 108 5.901 34.942 -11.108 1.00 1.00 H new ATOM 0 HB2 ARG A 108 3.635 33.180 -10.137 1.00 1.00 H new ATOM 0 HB3 ARG A 108 3.725 34.930 -10.101 1.00 1.00 H new ATOM 0 HG2 ARG A 108 3.675 33.321 -12.676 1.00 1.00 H new ATOM 0 HG3 ARG A 108 2.230 33.931 -11.893 1.00 1.00 H new ATOM 0 HD2 ARG A 108 4.539 35.756 -12.619 1.00 1.00 H new ATOM 0 HD3 ARG A 108 3.283 35.358 -13.775 1.00 1.00 H new ATOM 0 HE ARG A 108 1.808 36.216 -11.629 1.00 1.00 H new ATOM 0 HH11 ARG A 108 4.680 37.537 -13.202 1.00 1.00 H new ATOM 0 HH12 ARG A 108 4.200 39.214 -12.928 1.00 1.00 H new ATOM 0 HH21 ARG A 108 1.173 38.371 -11.323 1.00 1.00 H new ATOM 0 HH22 ARG A 108 2.221 39.686 -11.867 1.00 1.00 H new ATOM 1645 N MET A 109 6.439 34.684 -8.664 1.00 1.00 N ATOM 1646 CA MET A 109 7.026 34.524 -7.342 1.00 1.00 C ATOM 1647 C MET A 109 5.958 34.153 -6.331 1.00 1.00 C ATOM 1648 O MET A 109 4.904 34.783 -6.295 1.00 1.00 O ATOM 1649 CB MET A 109 7.716 35.814 -6.922 1.00 1.00 C ATOM 1650 CG MET A 109 8.848 36.219 -7.845 1.00 1.00 C ATOM 1651 SD MET A 109 10.272 35.118 -7.716 1.00 1.00 S ATOM 1652 CE MET A 109 10.637 35.293 -5.976 1.00 1.00 C ATOM 0 H MET A 109 6.309 35.654 -8.952 1.00 1.00 H new ATOM 0 HA MET A 109 7.763 33.721 -7.380 1.00 1.00 H new ATOM 0 HB2 MET A 109 6.980 36.617 -6.888 1.00 1.00 H new ATOM 0 HB3 MET A 109 8.106 35.696 -5.911 1.00 1.00 H new ATOM 0 HG2 MET A 109 8.489 36.225 -8.874 1.00 1.00 H new ATOM 0 HG3 MET A 109 9.158 37.237 -7.610 1.00 1.00 H new ATOM 0 HE1 MET A 109 11.713 35.405 -5.839 1.00 1.00 H new ATOM 0 HE2 MET A 109 10.128 36.174 -5.584 1.00 1.00 H new ATOM 0 HE3 MET A 109 10.293 34.408 -5.441 1.00 1.00 H new ATOM 1662 N LEU A 110 6.246 33.167 -5.482 1.00 1.00 N ATOM 1663 CA LEU A 110 5.301 32.710 -4.461 1.00 1.00 C ATOM 1664 C LEU A 110 4.848 33.867 -3.576 1.00 1.00 C ATOM 1665 O LEU A 110 3.655 34.116 -3.424 1.00 1.00 O ATOM 1666 CB LEU A 110 5.970 31.605 -3.614 1.00 1.00 C ATOM 1667 CG LEU A 110 5.094 30.895 -2.565 1.00 1.00 C ATOM 1668 CD1 LEU A 110 5.034 31.690 -1.270 1.00 1.00 C ATOM 1669 CD2 LEU A 110 3.692 30.648 -3.108 1.00 1.00 C ATOM 0 H LEU A 110 7.134 32.665 -5.481 1.00 1.00 H new ATOM 0 HA LEU A 110 4.414 32.307 -4.950 1.00 1.00 H new ATOM 0 HB2 LEU A 110 6.362 30.849 -4.294 1.00 1.00 H new ATOM 0 HB3 LEU A 110 6.824 32.045 -3.099 1.00 1.00 H new ATOM 0 HG LEU A 110 5.553 29.931 -2.347 1.00 1.00 H new ATOM 0 HD11 LEU A 110 4.409 31.164 -0.549 1.00 1.00 H new ATOM 0 HD12 LEU A 110 6.040 31.802 -0.865 1.00 1.00 H new ATOM 0 HD13 LEU A 110 4.611 32.675 -1.467 1.00 1.00 H new ATOM 0 HD21 LEU A 110 3.091 30.146 -2.350 1.00 1.00 H new ATOM 0 HD22 LEU A 110 3.229 31.600 -3.366 1.00 1.00 H new ATOM 0 HD23 LEU A 110 3.752 30.021 -3.998 1.00 1.00 H new ATOM 1681 N ARG A 111 5.809 34.633 -3.091 1.00 1.00 N ATOM 1682 CA ARG A 111 5.532 35.739 -2.185 1.00 1.00 C ATOM 1683 C ARG A 111 4.824 36.870 -2.918 1.00 1.00 C ATOM 1684 O ARG A 111 4.186 37.718 -2.302 1.00 1.00 O ATOM 1685 CB ARG A 111 6.841 36.251 -1.587 1.00 1.00 C ATOM 1686 CG ARG A 111 6.679 37.189 -0.407 1.00 1.00 C ATOM 1687 CD ARG A 111 7.995 37.894 -0.124 1.00 1.00 C ATOM 1688 NE ARG A 111 8.082 38.435 1.230 1.00 1.00 N ATOM 1689 CZ ARG A 111 9.017 39.300 1.621 1.00 1.00 C ATOM 1690 NH1 ARG A 111 9.946 39.719 0.762 1.00 1.00 N ATOM 1691 NH2 ARG A 111 9.033 39.738 2.875 1.00 1.00 N ATOM 0 H ARG A 111 6.797 34.509 -3.311 1.00 1.00 H new ATOM 0 HA ARG A 111 4.880 35.382 -1.388 1.00 1.00 H new ATOM 0 HB2 ARG A 111 7.439 35.396 -1.273 1.00 1.00 H new ATOM 0 HB3 ARG A 111 7.403 36.765 -2.367 1.00 1.00 H new ATOM 0 HG2 ARG A 111 5.901 37.923 -0.618 1.00 1.00 H new ATOM 0 HG3 ARG A 111 6.359 36.630 0.472 1.00 1.00 H new ATOM 0 HD2 ARG A 111 8.815 37.194 -0.281 1.00 1.00 H new ATOM 0 HD3 ARG A 111 8.126 38.705 -0.841 1.00 1.00 H new ATOM 0 HE ARG A 111 7.388 38.134 1.914 1.00 1.00 H new ATOM 0 HH11 ARG A 111 9.943 39.377 -0.199 1.00 1.00 H new ATOM 0 HH12 ARG A 111 10.660 40.381 1.066 1.00 1.00 H new ATOM 0 HH21 ARG A 111 8.330 39.412 3.538 1.00 1.00 H new ATOM 0 HH22 ARG A 111 9.749 40.400 3.175 1.00 1.00 H new ATOM 1705 N SER A 112 4.924 36.868 -4.239 1.00 1.00 N ATOM 1706 CA SER A 112 4.315 37.910 -5.037 1.00 1.00 C ATOM 1707 C SER A 112 2.808 37.690 -5.165 1.00 1.00 C ATOM 1708 O SER A 112 2.106 38.547 -5.704 1.00 1.00 O ATOM 1709 CB SER A 112 4.982 37.990 -6.416 1.00 1.00 C ATOM 1710 OG SER A 112 4.363 38.967 -7.235 1.00 1.00 O ATOM 0 H SER A 112 5.421 36.157 -4.775 1.00 1.00 H new ATOM 0 HA SER A 112 4.468 38.863 -4.531 1.00 1.00 H new ATOM 0 HB2 SER A 112 6.039 38.229 -6.297 1.00 1.00 H new ATOM 0 HB3 SER A 112 4.929 37.017 -6.904 1.00 1.00 H new ATOM 0 HG SER A 112 3.440 39.106 -6.938 1.00 1.00 H new ATOM 1716 N PHE A 113 2.294 36.539 -4.708 1.00 1.00 N ATOM 1717 CA PHE A 113 0.858 36.293 -4.722 1.00 1.00 C ATOM 1718 C PHE A 113 0.224 36.800 -3.433 1.00 1.00 C ATOM 1719 O PHE A 113 -0.990 36.982 -3.362 1.00 1.00 O ATOM 1720 CB PHE A 113 0.580 34.789 -4.850 1.00 1.00 C ATOM 1721 CG PHE A 113 0.935 34.185 -6.182 1.00 1.00 C ATOM 1722 CD1 PHE A 113 0.027 34.196 -7.229 1.00 1.00 C ATOM 1723 CD2 PHE A 113 2.165 33.581 -6.378 1.00 1.00 C ATOM 1724 CE1 PHE A 113 0.340 33.623 -8.447 1.00 1.00 C ATOM 1725 CE2 PHE A 113 2.485 33.003 -7.592 1.00 1.00 C ATOM 1726 CZ PHE A 113 1.573 33.023 -8.628 1.00 1.00 C ATOM 0 H PHE A 113 2.852 35.774 -4.329 1.00 1.00 H new ATOM 0 HA PHE A 113 0.430 36.821 -5.574 1.00 1.00 H new ATOM 0 HB2 PHE A 113 1.135 34.265 -4.072 1.00 1.00 H new ATOM 0 HB3 PHE A 113 -0.479 34.614 -4.660 1.00 1.00 H new ATOM 0 HD1 PHE A 113 -0.939 34.659 -7.091 1.00 1.00 H new ATOM 0 HD2 PHE A 113 2.884 33.561 -5.572 1.00 1.00 H new ATOM 0 HE1 PHE A 113 -0.376 33.644 -9.255 1.00 1.00 H new ATOM 0 HE2 PHE A 113 3.449 32.536 -7.730 1.00 1.00 H new ATOM 0 HZ PHE A 113 1.821 32.571 -9.577 1.00 1.00 H new ATOM 1736 N ASP A 114 1.059 37.016 -2.417 1.00 1.00 N ATOM 1737 CA ASP A 114 0.584 37.475 -1.113 1.00 1.00 C ATOM 1738 C ASP A 114 -0.105 38.826 -1.231 1.00 1.00 C ATOM 1739 O ASP A 114 0.482 39.784 -1.727 1.00 1.00 O ATOM 1740 CB ASP A 114 1.755 37.579 -0.124 1.00 1.00 C ATOM 1741 CG ASP A 114 1.348 38.162 1.217 1.00 1.00 C ATOM 1742 OD1 ASP A 114 0.250 37.833 1.708 1.00 1.00 O ATOM 1743 OD2 ASP A 114 2.120 38.964 1.777 1.00 1.00 O ATOM 0 H ASP A 114 2.068 36.880 -2.472 1.00 1.00 H new ATOM 0 HA ASP A 114 -0.137 36.746 -0.743 1.00 1.00 H new ATOM 0 HB2 ASP A 114 2.182 36.588 0.031 1.00 1.00 H new ATOM 0 HB3 ASP A 114 2.538 38.198 -0.561 1.00 1.00 H new ATOM 2056 N GLU A 136 7.725 26.476 10.724 1.00 1.00 N ATOM 2057 CA GLU A 136 6.364 26.987 10.778 1.00 1.00 C ATOM 2058 C GLU A 136 6.297 28.363 10.125 1.00 1.00 C ATOM 2059 O GLU A 136 5.243 28.783 9.640 1.00 1.00 O ATOM 2060 CB GLU A 136 5.852 27.060 12.217 1.00 1.00 C ATOM 2061 CG GLU A 136 5.727 25.705 12.889 1.00 1.00 C ATOM 2062 CD GLU A 136 4.880 25.763 14.143 1.00 1.00 C ATOM 2063 OE1 GLU A 136 5.421 26.038 15.228 1.00 1.00 O ATOM 2064 OE2 GLU A 136 3.655 25.527 14.047 1.00 1.00 O ATOM 0 HA GLU A 136 5.723 26.297 10.230 1.00 1.00 H new ATOM 0 HB2 GLU A 136 6.527 27.685 12.802 1.00 1.00 H new ATOM 0 HB3 GLU A 136 4.878 27.550 12.223 1.00 1.00 H new ATOM 0 HG2 GLU A 136 5.288 24.994 12.189 1.00 1.00 H new ATOM 0 HG3 GLU A 136 6.720 25.333 13.141 1.00 1.00 H new ATOM 2071 N GLU A 137 7.440 29.047 10.106 1.00 1.00 N ATOM 2072 CA GLU A 137 7.549 30.360 9.483 1.00 1.00 C ATOM 2073 C GLU A 137 7.306 30.244 7.985 1.00 1.00 C ATOM 2074 O GLU A 137 6.527 31.007 7.413 1.00 1.00 O ATOM 2075 CB GLU A 137 8.921 30.984 9.775 1.00 1.00 C ATOM 2076 CG GLU A 137 9.207 32.243 8.978 1.00 1.00 C ATOM 2077 CD GLU A 137 10.128 33.200 9.705 1.00 1.00 C ATOM 2078 OE1 GLU A 137 11.360 33.091 9.538 1.00 1.00 O ATOM 2079 OE2 GLU A 137 9.620 34.070 10.445 1.00 1.00 O ATOM 0 H GLU A 137 8.309 28.708 10.519 1.00 1.00 H new ATOM 0 HA GLU A 137 6.789 31.018 9.905 1.00 1.00 H new ATOM 0 HB2 GLU A 137 8.984 31.217 10.838 1.00 1.00 H new ATOM 0 HB3 GLU A 137 9.696 30.248 9.563 1.00 1.00 H new ATOM 0 HG2 GLU A 137 9.655 31.969 8.023 1.00 1.00 H new ATOM 0 HG3 GLU A 137 8.267 32.748 8.756 1.00 1.00 H new ATOM 2086 N VAL A 138 7.925 29.239 7.373 1.00 1.00 N ATOM 2087 CA VAL A 138 7.744 28.969 5.948 1.00 1.00 C ATOM 2088 C VAL A 138 6.270 28.724 5.645 1.00 1.00 C ATOM 2089 O VAL A 138 5.726 29.225 4.663 1.00 1.00 O ATOM 2090 CB VAL A 138 8.535 27.722 5.523 1.00 1.00 C ATOM 2091 CG1 VAL A 138 8.448 27.500 4.023 1.00 1.00 C ATOM 2092 CG2 VAL A 138 9.977 27.812 5.983 1.00 1.00 C ATOM 0 H VAL A 138 8.560 28.594 7.844 1.00 1.00 H new ATOM 0 HA VAL A 138 8.106 29.837 5.397 1.00 1.00 H new ATOM 0 HB VAL A 138 8.083 26.858 6.009 1.00 1.00 H new ATOM 0 HG11 VAL A 138 9.018 26.611 3.753 1.00 1.00 H new ATOM 0 HG12 VAL A 138 7.405 27.365 3.735 1.00 1.00 H new ATOM 0 HG13 VAL A 138 8.859 28.365 3.503 1.00 1.00 H new ATOM 0 HG21 VAL A 138 10.515 26.917 5.670 1.00 1.00 H new ATOM 0 HG22 VAL A 138 10.446 28.691 5.541 1.00 1.00 H new ATOM 0 HG23 VAL A 138 10.008 27.892 7.070 1.00 1.00 H new ATOM 2102 N PHE A 139 5.651 27.947 6.524 1.00 1.00 N ATOM 2103 CA PHE A 139 4.231 27.625 6.406 1.00 1.00 C ATOM 2104 C PHE A 139 3.403 28.904 6.309 1.00 1.00 C ATOM 2105 O PHE A 139 2.534 29.028 5.447 1.00 1.00 O ATOM 2106 CB PHE A 139 3.752 26.772 7.582 1.00 1.00 C ATOM 2107 CG PHE A 139 2.362 26.233 7.388 1.00 1.00 C ATOM 2108 CD1 PHE A 139 1.257 26.976 7.769 1.00 1.00 C ATOM 2109 CD2 PHE A 139 2.162 24.990 6.810 1.00 1.00 C ATOM 2110 CE1 PHE A 139 -0.022 26.490 7.577 1.00 1.00 C ATOM 2111 CE2 PHE A 139 0.887 24.499 6.614 1.00 1.00 C ATOM 2112 CZ PHE A 139 -0.207 25.249 6.998 1.00 1.00 C ATOM 0 H PHE A 139 6.111 27.525 7.331 1.00 1.00 H new ATOM 0 HA PHE A 139 4.096 27.044 5.494 1.00 1.00 H new ATOM 0 HB2 PHE A 139 4.442 25.940 7.725 1.00 1.00 H new ATOM 0 HB3 PHE A 139 3.780 27.370 8.493 1.00 1.00 H new ATOM 0 HD1 PHE A 139 1.397 27.947 8.221 1.00 1.00 H new ATOM 0 HD2 PHE A 139 3.014 24.398 6.509 1.00 1.00 H new ATOM 0 HE1 PHE A 139 -0.876 27.079 7.879 1.00 1.00 H new ATOM 0 HE2 PHE A 139 0.745 23.529 6.161 1.00 1.00 H new ATOM 0 HZ PHE A 139 -1.205 24.866 6.846 1.00 1.00 H new ATOM 2122 N ALA A 140 3.711 29.863 7.175 1.00 1.00 N ATOM 2123 CA ALA A 140 3.010 31.140 7.203 1.00 1.00 C ATOM 2124 C ALA A 140 3.191 31.902 5.892 1.00 1.00 C ATOM 2125 O ALA A 140 2.251 32.513 5.386 1.00 1.00 O ATOM 2126 CB ALA A 140 3.509 31.971 8.368 1.00 1.00 C ATOM 0 H ALA A 140 4.449 29.778 7.873 1.00 1.00 H new ATOM 0 HA ALA A 140 1.945 30.944 7.328 1.00 1.00 H new ATOM 0 HB1 ALA A 140 2.983 32.925 8.386 1.00 1.00 H new ATOM 0 HB2 ALA A 140 3.325 31.438 9.301 1.00 1.00 H new ATOM 0 HB3 ALA A 140 4.579 32.149 8.256 1.00 1.00 H new ATOM 2132 N VAL A 141 4.407 31.876 5.359 1.00 1.00 N ATOM 2133 CA VAL A 141 4.701 32.535 4.087 1.00 1.00 C ATOM 2134 C VAL A 141 3.794 32.011 2.983 1.00 1.00 C ATOM 2135 O VAL A 141 3.118 32.773 2.283 1.00 1.00 O ATOM 2136 CB VAL A 141 6.161 32.281 3.651 1.00 1.00 C ATOM 2137 CG1 VAL A 141 6.529 33.133 2.446 1.00 1.00 C ATOM 2138 CG2 VAL A 141 7.129 32.506 4.799 1.00 1.00 C ATOM 0 H VAL A 141 5.206 31.407 5.785 1.00 1.00 H new ATOM 0 HA VAL A 141 4.536 33.602 4.240 1.00 1.00 H new ATOM 0 HB VAL A 141 6.240 31.235 3.356 1.00 1.00 H new ATOM 0 HG11 VAL A 141 7.562 32.934 2.161 1.00 1.00 H new ATOM 0 HG12 VAL A 141 5.869 32.889 1.613 1.00 1.00 H new ATOM 0 HG13 VAL A 141 6.420 34.188 2.699 1.00 1.00 H new ATOM 0 HG21 VAL A 141 8.147 32.319 4.458 1.00 1.00 H new ATOM 0 HG22 VAL A 141 7.047 33.535 5.148 1.00 1.00 H new ATOM 0 HG23 VAL A 141 6.889 31.826 5.616 1.00 1.00 H new ATOM 2148 N ILE A 142 3.778 30.701 2.853 1.00 1.00 N ATOM 2149 CA ILE A 142 3.002 30.041 1.823 1.00 1.00 C ATOM 2150 C ILE A 142 1.509 30.263 2.006 1.00 1.00 C ATOM 2151 O ILE A 142 0.820 30.631 1.061 1.00 1.00 O ATOM 2152 CB ILE A 142 3.301 28.537 1.806 1.00 1.00 C ATOM 2153 CG1 ILE A 142 4.733 28.305 1.316 1.00 1.00 C ATOM 2154 CG2 ILE A 142 2.293 27.807 0.927 1.00 1.00 C ATOM 2155 CD1 ILE A 142 5.471 27.249 2.096 1.00 1.00 C ATOM 0 H ILE A 142 4.300 30.065 3.456 1.00 1.00 H new ATOM 0 HA ILE A 142 3.294 30.482 0.870 1.00 1.00 H new ATOM 0 HB ILE A 142 3.211 28.138 2.816 1.00 1.00 H new ATOM 0 HG12 ILE A 142 4.707 28.017 0.265 1.00 1.00 H new ATOM 0 HG13 ILE A 142 5.286 29.243 1.376 1.00 1.00 H new ATOM 0 HG21 ILE A 142 2.518 26.740 0.924 1.00 1.00 H new ATOM 0 HG22 ILE A 142 1.288 27.965 1.318 1.00 1.00 H new ATOM 0 HG23 ILE A 142 2.351 28.193 -0.091 1.00 1.00 H new ATOM 0 HD11 ILE A 142 6.478 27.137 1.694 1.00 1.00 H new ATOM 0 HD12 ILE A 142 5.529 27.544 3.144 1.00 1.00 H new ATOM 0 HD13 ILE A 142 4.941 26.300 2.015 1.00 1.00 H new ATOM 2167 N GLU A 143 1.015 30.029 3.215 1.00 1.00 N ATOM 2168 CA GLU A 143 -0.408 30.210 3.497 1.00 1.00 C ATOM 2169 C GLU A 143 -0.837 31.642 3.164 1.00 1.00 C ATOM 2170 O GLU A 143 -1.982 31.887 2.792 1.00 1.00 O ATOM 2171 CB GLU A 143 -0.747 29.870 4.955 1.00 1.00 C ATOM 2172 CG GLU A 143 -0.266 30.899 5.958 1.00 1.00 C ATOM 2173 CD GLU A 143 -0.912 30.739 7.317 1.00 1.00 C ATOM 2174 OE1 GLU A 143 -0.550 29.800 8.058 1.00 1.00 O ATOM 2175 OE2 GLU A 143 -1.807 31.546 7.644 1.00 1.00 O ATOM 0 H GLU A 143 1.570 29.716 4.011 1.00 1.00 H new ATOM 0 HA GLU A 143 -0.963 29.518 2.864 1.00 1.00 H new ATOM 0 HB2 GLU A 143 -1.828 29.763 5.050 1.00 1.00 H new ATOM 0 HB3 GLU A 143 -0.308 28.904 5.203 1.00 1.00 H new ATOM 0 HG2 GLU A 143 0.816 30.819 6.063 1.00 1.00 H new ATOM 0 HG3 GLU A 143 -0.476 31.898 5.576 1.00 1.00 H new ATOM 2182 N SER A 144 0.096 32.585 3.307 1.00 1.00 N ATOM 2183 CA SER A 144 -0.164 33.987 3.008 1.00 1.00 C ATOM 2184 C SER A 144 -0.269 34.195 1.501 1.00 1.00 C ATOM 2185 O SER A 144 -0.985 35.076 1.027 1.00 1.00 O ATOM 2186 CB SER A 144 0.947 34.869 3.585 1.00 1.00 C ATOM 2187 OG SER A 144 0.494 36.194 3.801 1.00 1.00 O ATOM 0 H SER A 144 1.045 32.397 3.631 1.00 1.00 H new ATOM 0 HA SER A 144 -1.110 34.270 3.468 1.00 1.00 H new ATOM 0 HB2 SER A 144 1.299 34.445 4.526 1.00 1.00 H new ATOM 0 HB3 SER A 144 1.797 34.880 2.902 1.00 1.00 H new ATOM 0 HG SER A 144 0.229 36.593 2.946 1.00 1.00 H new ATOM 2193 N ALA A 145 0.469 33.386 0.757 1.00 1.00 N ATOM 2194 CA ALA A 145 0.473 33.466 -0.697 1.00 1.00 C ATOM 2195 C ALA A 145 -0.640 32.653 -1.305 1.00 1.00 C ATOM 2196 O ALA A 145 -1.040 32.907 -2.437 1.00 1.00 O ATOM 2197 CB ALA A 145 1.785 32.996 -1.287 1.00 1.00 C ATOM 0 H ALA A 145 1.077 32.661 1.139 1.00 1.00 H new ATOM 0 HA ALA A 145 0.327 34.520 -0.936 1.00 1.00 H new ATOM 0 HB1 ALA A 145 1.744 33.073 -2.374 1.00 1.00 H new ATOM 0 HB2 ALA A 145 2.597 33.618 -0.910 1.00 1.00 H new ATOM 0 HB3 ALA A 145 1.961 31.958 -1.003 1.00 1.00 H new ATOM 2203 N LEU A 146 -1.138 31.656 -0.581 1.00 1.00 N ATOM 2204 CA LEU A 146 -2.195 30.804 -1.105 1.00 1.00 C ATOM 2205 C LEU A 146 -3.414 31.596 -1.579 1.00 1.00 C ATOM 2206 O LEU A 146 -3.932 31.305 -2.653 1.00 1.00 O ATOM 2207 CB LEU A 146 -2.617 29.762 -0.063 1.00 1.00 C ATOM 2208 CG LEU A 146 -1.533 28.757 0.317 1.00 1.00 C ATOM 2209 CD1 LEU A 146 -2.151 27.516 0.929 1.00 1.00 C ATOM 2210 CD2 LEU A 146 -0.685 28.394 -0.891 1.00 1.00 C ATOM 0 H LEU A 146 -0.829 31.421 0.362 1.00 1.00 H new ATOM 0 HA LEU A 146 -1.781 30.298 -1.977 1.00 1.00 H new ATOM 0 HB2 LEU A 146 -2.942 30.282 0.838 1.00 1.00 H new ATOM 0 HB3 LEU A 146 -3.480 29.216 -0.445 1.00 1.00 H new ATOM 0 HG LEU A 146 -0.883 29.220 1.059 1.00 1.00 H new ATOM 0 HD11 LEU A 146 -1.364 26.810 1.194 1.00 1.00 H new ATOM 0 HD12 LEU A 146 -2.708 27.791 1.825 1.00 1.00 H new ATOM 0 HD13 LEU A 146 -2.826 27.053 0.209 1.00 1.00 H new ATOM 0 HD21 LEU A 146 0.081 27.677 -0.596 1.00 1.00 H new ATOM 0 HD22 LEU A 146 -1.318 27.953 -1.661 1.00 1.00 H new ATOM 0 HD23 LEU A 146 -0.208 29.292 -1.284 1.00 1.00 H new ATOM 2222 N PRO A 147 -3.856 32.652 -0.850 1.00 1.00 N ATOM 2223 CA PRO A 147 -5.025 33.446 -1.249 1.00 1.00 C ATOM 2224 C PRO A 147 -4.759 34.273 -2.508 1.00 1.00 C ATOM 2225 O PRO A 147 -5.670 34.856 -3.093 1.00 1.00 O ATOM 2226 CB PRO A 147 -5.255 34.367 -0.051 1.00 1.00 C ATOM 2227 CG PRO A 147 -3.899 34.520 0.541 1.00 1.00 C ATOM 2228 CD PRO A 147 -3.250 33.185 0.384 1.00 1.00 C ATOM 0 HA PRO A 147 -5.881 32.817 -1.492 1.00 1.00 H new ATOM 0 HB2 PRO A 147 -5.669 35.328 -0.358 1.00 1.00 H new ATOM 0 HB3 PRO A 147 -5.956 33.931 0.661 1.00 1.00 H new ATOM 0 HG2 PRO A 147 -3.331 35.297 0.029 1.00 1.00 H new ATOM 0 HG3 PRO A 147 -3.958 34.808 1.591 1.00 1.00 H new ATOM 0 HD2 PRO A 147 -2.167 33.273 0.294 1.00 1.00 H new ATOM 0 HD3 PRO A 147 -3.447 32.539 1.240 1.00 1.00 H new ATOM 2236 N GLY A 148 -3.509 34.260 -2.934 1.00 1.00 N ATOM 2237 CA GLY A 148 -3.126 34.950 -4.143 1.00 1.00 C ATOM 2238 C GLY A 148 -2.829 33.950 -5.233 1.00 1.00 C ATOM 2239 O GLY A 148 -3.172 34.152 -6.396 1.00 1.00 O ATOM 0 H GLY A 148 -2.746 33.779 -2.458 1.00 1.00 H new ATOM 0 HA2 GLY A 148 -3.926 35.619 -4.459 1.00 1.00 H new ATOM 0 HA3 GLY A 148 -2.248 35.569 -3.956 1.00 1.00 H new ATOM 2243 N LEU A 149 -2.313 32.801 -4.807 1.00 1.00 N ATOM 2244 CA LEU A 149 -1.951 31.727 -5.713 1.00 1.00 C ATOM 2245 C LEU A 149 -3.203 30.997 -6.178 1.00 1.00 C ATOM 2246 O LEU A 149 -3.427 30.831 -7.372 1.00 1.00 O ATOM 2247 CB LEU A 149 -0.995 30.740 -5.019 1.00 1.00 C ATOM 2248 CG LEU A 149 0.190 30.274 -5.862 1.00 1.00 C ATOM 2249 CD1 LEU A 149 0.768 28.990 -5.307 1.00 1.00 C ATOM 2250 CD2 LEU A 149 -0.216 30.086 -7.303 1.00 1.00 C ATOM 0 H LEU A 149 -2.136 32.593 -3.824 1.00 1.00 H new ATOM 0 HA LEU A 149 -1.444 32.155 -6.578 1.00 1.00 H new ATOM 0 HB2 LEU A 149 -0.612 31.208 -4.112 1.00 1.00 H new ATOM 0 HB3 LEU A 149 -1.566 29.864 -4.709 1.00 1.00 H new ATOM 0 HG LEU A 149 0.957 31.047 -5.820 1.00 1.00 H new ATOM 0 HD11 LEU A 149 1.611 28.675 -5.922 1.00 1.00 H new ATOM 0 HD12 LEU A 149 1.107 29.156 -4.284 1.00 1.00 H new ATOM 0 HD13 LEU A 149 0.003 28.213 -5.315 1.00 1.00 H new ATOM 0 HD21 LEU A 149 0.645 29.754 -7.883 1.00 1.00 H new ATOM 0 HD22 LEU A 149 -1.005 29.337 -7.364 1.00 1.00 H new ATOM 0 HD23 LEU A 149 -0.581 31.031 -7.704 1.00 1.00 H new ATOM 2262 N HIS A 150 -4.008 30.555 -5.215 1.00 1.00 N ATOM 2263 CA HIS A 150 -5.234 29.836 -5.526 1.00 1.00 C ATOM 2264 C HIS A 150 -6.118 30.657 -6.431 1.00 1.00 C ATOM 2265 O HIS A 150 -6.575 30.197 -7.460 1.00 1.00 O ATOM 2266 CB HIS A 150 -5.989 29.428 -4.270 1.00 1.00 C ATOM 2267 CG HIS A 150 -6.948 30.408 -3.720 1.00 1.00 C ATOM 2268 ND1 HIS A 150 -8.235 30.592 -4.176 1.00 1.00 N ATOM 2269 CD2 HIS A 150 -6.773 31.245 -2.715 1.00 1.00 C ATOM 2270 CE1 HIS A 150 -8.815 31.525 -3.447 1.00 1.00 C ATOM 2271 NE2 HIS A 150 -7.944 31.942 -2.543 1.00 1.00 N ATOM 0 H HIS A 150 -3.832 30.683 -4.218 1.00 1.00 H new ATOM 0 HA HIS A 150 -4.949 28.922 -6.047 1.00 1.00 H new ATOM 0 HB2 HIS A 150 -6.530 28.506 -4.484 1.00 1.00 H new ATOM 0 HB3 HIS A 150 -5.258 29.196 -3.495 1.00 1.00 H new ATOM 0 HD1 HIS A 150 -8.668 30.089 -4.950 1.00 1.00 H new ATOM 0 HD2 HIS A 150 -5.871 31.361 -2.132 1.00 1.00 H new ATOM 0 HE1 HIS A 150 -9.826 31.886 -3.567 1.00 1.00 H new ATOM 2280 N ASP A 151 -6.241 31.908 -6.077 1.00 1.00 N ATOM 2281 CA ASP A 151 -7.062 32.856 -6.832 1.00 1.00 C ATOM 2282 C ASP A 151 -6.595 32.924 -8.274 1.00 1.00 C ATOM 2283 O ASP A 151 -7.398 32.913 -9.202 1.00 1.00 O ATOM 2284 CB ASP A 151 -6.969 34.250 -6.210 1.00 1.00 C ATOM 2285 CG ASP A 151 -7.941 35.240 -6.833 1.00 1.00 C ATOM 2286 OD1 ASP A 151 -9.145 35.183 -6.511 1.00 1.00 O ATOM 2287 OD2 ASP A 151 -7.495 36.094 -7.627 1.00 1.00 O ATOM 0 H ASP A 151 -5.782 32.312 -5.261 1.00 1.00 H new ATOM 0 HA ASP A 151 -8.096 32.513 -6.801 1.00 1.00 H new ATOM 0 HB2 ASP A 151 -7.166 34.179 -5.140 1.00 1.00 H new ATOM 0 HB3 ASP A 151 -5.952 34.626 -6.323 1.00 1.00 H new ATOM 2292 N TRP A 152 -5.278 32.957 -8.436 1.00 1.00 N ATOM 2293 CA TRP A 152 -4.662 33.017 -9.744 1.00 1.00 C ATOM 2294 C TRP A 152 -5.011 31.773 -10.542 1.00 1.00 C ATOM 2295 O TRP A 152 -5.555 31.866 -11.638 1.00 1.00 O ATOM 2296 CB TRP A 152 -3.144 33.145 -9.579 1.00 1.00 C ATOM 2297 CG TRP A 152 -2.388 33.378 -10.859 1.00 1.00 C ATOM 2298 CD1 TRP A 152 -1.815 34.547 -11.263 1.00 1.00 C ATOM 2299 CD2 TRP A 152 -2.109 32.421 -11.900 1.00 1.00 C ATOM 2300 NE1 TRP A 152 -1.201 34.377 -12.482 1.00 1.00 N ATOM 2301 CE2 TRP A 152 -1.373 33.086 -12.893 1.00 1.00 C ATOM 2302 CE3 TRP A 152 -2.411 31.069 -12.089 1.00 1.00 C ATOM 2303 CZ2 TRP A 152 -0.941 32.452 -14.053 1.00 1.00 C ATOM 2304 CZ3 TRP A 152 -1.982 30.439 -13.240 1.00 1.00 C ATOM 2305 CH2 TRP A 152 -1.251 31.130 -14.210 1.00 1.00 C ATOM 0 H TRP A 152 -4.613 32.943 -7.663 1.00 1.00 H new ATOM 0 HA TRP A 152 -5.036 33.885 -10.287 1.00 1.00 H new ATOM 0 HB2 TRP A 152 -2.935 33.968 -8.895 1.00 1.00 H new ATOM 0 HB3 TRP A 152 -2.766 32.237 -9.110 1.00 1.00 H new ATOM 0 HD1 TRP A 152 -1.840 35.472 -10.707 1.00 1.00 H new ATOM 0 HE1 TRP A 152 -0.698 35.100 -12.997 1.00 1.00 H new ATOM 0 HE3 TRP A 152 -2.973 30.525 -11.344 1.00 1.00 H new ATOM 0 HZ2 TRP A 152 -0.379 32.986 -14.805 1.00 1.00 H new ATOM 0 HZ3 TRP A 152 -2.215 29.396 -13.393 1.00 1.00 H new ATOM 0 HH2 TRP A 152 -0.925 30.611 -15.099 1.00 1.00 H new ATOM 2316 N VAL A 153 -4.714 30.607 -9.980 1.00 1.00 N ATOM 2317 CA VAL A 153 -4.986 29.346 -10.666 1.00 1.00 C ATOM 2318 C VAL A 153 -6.488 29.193 -10.911 1.00 1.00 C ATOM 2319 O VAL A 153 -6.892 28.777 -11.991 1.00 1.00 O ATOM 2320 CB VAL A 153 -4.426 28.127 -9.888 1.00 1.00 C ATOM 2321 CG1 VAL A 153 -2.992 28.387 -9.453 1.00 1.00 C ATOM 2322 CG2 VAL A 153 -5.276 27.772 -8.680 1.00 1.00 C ATOM 0 H VAL A 153 -4.288 30.507 -9.059 1.00 1.00 H new ATOM 0 HA VAL A 153 -4.471 29.373 -11.626 1.00 1.00 H new ATOM 0 HB VAL A 153 -4.452 27.277 -10.569 1.00 1.00 H new ATOM 0 HG11 VAL A 153 -2.614 27.522 -8.908 1.00 1.00 H new ATOM 0 HG12 VAL A 153 -2.371 28.562 -10.332 1.00 1.00 H new ATOM 0 HG13 VAL A 153 -2.961 29.264 -8.807 1.00 1.00 H new ATOM 0 HG21 VAL A 153 -4.842 26.912 -8.170 1.00 1.00 H new ATOM 0 HG22 VAL A 153 -5.310 28.621 -7.997 1.00 1.00 H new ATOM 0 HG23 VAL A 153 -6.287 27.528 -9.006 1.00 1.00 H new ATOM 2332 N ASP A 154 -7.304 29.582 -9.924 1.00 1.00 N ATOM 2333 CA ASP A 154 -8.759 29.527 -10.044 1.00 1.00 C ATOM 2334 C ASP A 154 -9.225 30.383 -11.214 1.00 1.00 C ATOM 2335 O ASP A 154 -9.922 29.915 -12.113 1.00 1.00 O ATOM 2336 CB ASP A 154 -9.452 30.018 -8.758 1.00 1.00 C ATOM 2337 CG ASP A 154 -9.352 29.053 -7.587 1.00 1.00 C ATOM 2338 OD1 ASP A 154 -9.485 27.821 -7.810 1.00 1.00 O ATOM 2339 OD2 ASP A 154 -9.103 29.506 -6.457 1.00 1.00 O ATOM 0 H ASP A 154 -6.974 29.940 -9.028 1.00 1.00 H new ATOM 0 HA ASP A 154 -9.032 28.485 -10.212 1.00 1.00 H new ATOM 0 HB2 ASP A 154 -9.015 30.973 -8.465 1.00 1.00 H new ATOM 0 HB3 ASP A 154 -10.505 30.202 -8.974 1.00 1.00 H new ATOM 2344 N GLU A 155 -8.822 31.648 -11.187 1.00 1.00 N ATOM 2345 CA GLU A 155 -9.209 32.601 -12.220 1.00 1.00 C ATOM 2346 C GLU A 155 -8.713 32.140 -13.588 1.00 1.00 C ATOM 2347 O GLU A 155 -9.424 32.245 -14.584 1.00 1.00 O ATOM 2348 CB GLU A 155 -8.681 34.008 -11.910 1.00 1.00 C ATOM 2349 CG GLU A 155 -7.302 34.309 -12.484 1.00 1.00 C ATOM 2350 CD GLU A 155 -6.839 35.723 -12.184 1.00 1.00 C ATOM 2351 OE1 GLU A 155 -7.486 36.684 -12.641 1.00 1.00 O ATOM 2352 OE2 GLU A 155 -5.821 35.875 -11.472 1.00 1.00 O ATOM 0 H GLU A 155 -8.225 32.038 -10.458 1.00 1.00 H new ATOM 0 HA GLU A 155 -10.298 32.646 -12.237 1.00 1.00 H new ATOM 0 HB2 GLU A 155 -9.389 34.741 -12.297 1.00 1.00 H new ATOM 0 HB3 GLU A 155 -8.646 34.139 -10.828 1.00 1.00 H new ATOM 0 HG2 GLU A 155 -6.581 33.601 -12.076 1.00 1.00 H new ATOM 0 HG3 GLU A 155 -7.321 34.159 -13.563 1.00 1.00 H new ATOM 2359 N ARG A 156 -7.536 31.528 -13.600 1.00 1.00 N ATOM 2360 CA ARG A 156 -6.933 31.070 -14.836 1.00 1.00 C ATOM 2361 C ARG A 156 -7.623 29.818 -15.353 1.00 1.00 C ATOM 2362 O ARG A 156 -7.931 29.727 -16.537 1.00 1.00 O ATOM 2363 CB ARG A 156 -5.438 30.832 -14.650 1.00 1.00 C ATOM 2364 CG ARG A 156 -4.626 32.118 -14.628 1.00 1.00 C ATOM 2365 CD ARG A 156 -5.113 33.062 -15.706 1.00 1.00 C ATOM 2366 NE ARG A 156 -4.182 34.155 -15.972 1.00 1.00 N ATOM 2367 CZ ARG A 156 -4.523 35.442 -16.008 1.00 1.00 C ATOM 2368 NH1 ARG A 156 -5.739 35.825 -15.643 1.00 1.00 N ATOM 2369 NH2 ARG A 156 -3.636 36.351 -16.393 1.00 1.00 N ATOM 0 H ARG A 156 -6.983 31.339 -12.764 1.00 1.00 H new ATOM 0 HA ARG A 156 -7.063 31.852 -15.584 1.00 1.00 H new ATOM 0 HB2 ARG A 156 -5.276 30.291 -13.718 1.00 1.00 H new ATOM 0 HB3 ARG A 156 -5.075 30.194 -15.456 1.00 1.00 H new ATOM 0 HG2 ARG A 156 -4.712 32.594 -13.651 1.00 1.00 H new ATOM 0 HG3 ARG A 156 -3.571 31.893 -14.781 1.00 1.00 H new ATOM 0 HD2 ARG A 156 -5.277 32.500 -16.626 1.00 1.00 H new ATOM 0 HD3 ARG A 156 -6.076 33.477 -15.410 1.00 1.00 H new ATOM 0 HE ARG A 156 -3.205 33.917 -16.142 1.00 1.00 H new ATOM 0 HH11 ARG A 156 -6.420 35.132 -15.332 1.00 1.00 H new ATOM 0 HH12 ARG A 156 -5.993 36.812 -15.673 1.00 1.00 H new ATOM 0 HH21 ARG A 156 -2.695 36.064 -16.661 1.00 1.00 H new ATOM 0 HH22 ARG A 156 -3.896 37.337 -16.421 1.00 1.00 H new ATOM 2383 N LEU A 157 -7.907 28.874 -14.457 1.00 1.00 N ATOM 2384 CA LEU A 157 -8.572 27.631 -14.853 1.00 1.00 C ATOM 2385 C LEU A 157 -9.997 27.928 -15.289 1.00 1.00 C ATOM 2386 O LEU A 157 -10.648 27.121 -15.952 1.00 1.00 O ATOM 2387 CB LEU A 157 -8.540 26.580 -13.723 1.00 1.00 C ATOM 2388 CG LEU A 157 -9.308 26.913 -12.434 1.00 1.00 C ATOM 2389 CD1 LEU A 157 -10.793 26.606 -12.569 1.00 1.00 C ATOM 2390 CD2 LEU A 157 -8.721 26.148 -11.261 1.00 1.00 C ATOM 0 H LEU A 157 -7.691 28.943 -13.463 1.00 1.00 H new ATOM 0 HA LEU A 157 -8.027 27.203 -15.695 1.00 1.00 H new ATOM 0 HB2 LEU A 157 -8.935 25.645 -14.120 1.00 1.00 H new ATOM 0 HB3 LEU A 157 -7.498 26.399 -13.459 1.00 1.00 H new ATOM 0 HG LEU A 157 -9.205 27.983 -12.254 1.00 1.00 H new ATOM 0 HD11 LEU A 157 -11.302 26.855 -11.638 1.00 1.00 H new ATOM 0 HD12 LEU A 157 -11.214 27.197 -13.382 1.00 1.00 H new ATOM 0 HD13 LEU A 157 -10.927 25.546 -12.784 1.00 1.00 H new ATOM 0 HD21 LEU A 157 -9.274 26.393 -10.354 1.00 1.00 H new ATOM 0 HD22 LEU A 157 -8.793 25.077 -11.452 1.00 1.00 H new ATOM 0 HD23 LEU A 157 -7.674 26.424 -11.134 1.00 1.00 H new