USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 772 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 112 SER OG : rot 180:sc= -0.947 USER MOD Set 1.2: A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 97 CYS SG : rot 22:sc= 0.813 USER MOD Set 2.2: A 100 CYS SG : rot -50:sc= -4.34! USER MOD Set 2.3: A 113 HIS :FLIP no HD1:sc= -3.17 F(o=-11!,f=-9.1) USER MOD Set 2.4: A 114 MET CE :methyl -117:sc= -0.0685 (180deg=-0.531) USER MOD Set 2.5: A 118 HIS : no HD1:sc= -2.35! X(o=-9.1!,f=-9.2) USER MOD Set 3.1: A 69 CYS SG : rot -130:sc= -1.95 USER MOD Set 3.2: A 72 CYS SG : rot -33:sc= -1.49! USER MOD Set 3.3: A 85 HIS : no HD1:sc= -2.37 K(o=-17,f=-18) USER MOD Set 3.4: A 86 MET CE :methyl 162:sc= -4.74 (180deg=-2.64!) USER MOD Set 3.5: A 89 HIS : no HD1:sc= -6.25! C(o=-17!,f=-19!) USER MOD Set 4.1: A 38 CYS SG : rot -30:sc= -0.633 USER MOD Set 4.2: A 41 CYS SG : rot -63:sc= -1.61 USER MOD Set 4.3: A 45 TYR OH : rot -163:sc= 0.357 USER MOD Set 4.4: A 54 HIS : no HD1:sc= -0.972! K(o=-2.9!,f=-3.8) USER MOD Set 5.1: A 10 CYS SG : rot 165:sc= -0.1 USER MOD Set 5.2: A 12 THR OG1 : rot 90:sc= 0.353 USER MOD Set 5.3: A 13 CYS SG : rot -42:sc= -2.42 USER MOD Set 5.4: A 15 LYS NZ :NH3+ 164:sc= -1.57 (180deg=-2.44) USER MOD Set 5.5: A 26 HIS : no HE2:sc= -3.2 K(o=-6.9,f=-7.7) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0957 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -146:sc=-0.00297 (180deg=-0.925) USER MOD Single : A 27 ASN : amide:sc= -3.63! C(o=-3.6!,f=-6.6!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -136:sc= 0.16 (180deg=0.0881) USER MOD Single : A 44 CYS SG : rot 180:sc=0.000103 USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -0.164 (180deg=-0.315) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 58 ASN : amide:sc= -3.55! C(o=-3.5!,f=-3.6!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -40:sc= 0.44 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.127 F(o=-1.2,f=-0.13) USER MOD Single : A 75 THR OG1 : rot 46:sc= 0.0507 USER MOD Single : A 80 MET CE :methyl -135:sc= -1.29 (180deg=-5.8!) USER MOD Single : A 88 SER OG : rot -61:sc= 1.21 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.0505 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 103 GLN : amide:sc=-0.00811 X(o=-0.0081,f=0) USER MOD Single : A 105 MET CE :methyl -179:sc= -0.854 (180deg=-0.858) USER MOD Single : A 106 GLN : amide:sc= -0.0755 K(o=-0.076,f=-0.67) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -2.27 K(o=-2.3,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 10.503 -8.782 23.514 1.00 0.00 N ATOM 60 CA GLY A 7 10.060 -7.512 22.970 1.00 0.00 C ATOM 61 C GLY A 7 8.561 -7.324 23.083 1.00 0.00 C ATOM 62 O GLY A 7 7.884 -8.077 23.784 1.00 0.00 O ATOM 0 HA2 GLY A 7 10.565 -6.700 23.493 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.353 -7.447 21.922 1.00 0.00 H new ATOM 66 N VAL A 8 8.038 -6.315 22.393 1.00 0.00 N ATOM 67 CA VAL A 8 6.609 -6.030 22.420 1.00 0.00 C ATOM 68 C VAL A 8 5.826 -7.067 21.623 1.00 0.00 C ATOM 69 O VAL A 8 6.406 -7.864 20.886 1.00 0.00 O ATOM 70 CB VAL A 8 6.305 -4.629 21.855 1.00 0.00 C ATOM 71 CG1 VAL A 8 6.971 -3.556 22.702 1.00 0.00 C ATOM 72 CG2 VAL A 8 6.755 -4.531 20.405 1.00 0.00 C ATOM 0 H VAL A 8 8.583 -5.681 21.808 1.00 0.00 H new ATOM 0 HA VAL A 8 6.299 -6.068 23.464 1.00 0.00 H new ATOM 0 HB VAL A 8 5.227 -4.468 21.889 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.745 -2.573 22.288 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.596 -3.614 23.724 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.050 -3.710 22.702 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.533 -3.535 20.022 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.828 -4.712 20.344 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.227 -5.275 19.809 1.00 0.00 H new ATOM 82 N GLU A 9 4.506 -7.051 21.778 1.00 0.00 N ATOM 83 CA GLU A 9 3.643 -7.992 21.072 1.00 0.00 C ATOM 84 C GLU A 9 2.393 -7.294 20.546 1.00 0.00 C ATOM 85 O GLU A 9 1.864 -6.381 21.180 1.00 0.00 O ATOM 86 CB GLU A 9 3.247 -9.146 21.995 1.00 0.00 C ATOM 87 CG GLU A 9 2.280 -10.130 21.359 1.00 0.00 C ATOM 88 CD GLU A 9 2.417 -11.531 21.923 1.00 0.00 C ATOM 89 OE1 GLU A 9 1.864 -11.788 23.013 1.00 0.00 O ATOM 90 OE2 GLU A 9 3.078 -12.370 21.276 1.00 0.00 O ATOM 0 H GLU A 9 4.011 -6.398 22.385 1.00 0.00 H new ATOM 0 HA GLU A 9 4.200 -8.390 20.224 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.146 -9.680 22.301 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.795 -8.738 22.899 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.259 -9.780 21.511 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.451 -10.157 20.283 1.00 0.00 H new ATOM 97 N CYS A 10 1.924 -7.731 19.381 1.00 0.00 N ATOM 98 CA CYS A 10 0.737 -7.150 18.767 1.00 0.00 C ATOM 99 C CYS A 10 -0.507 -7.964 19.110 1.00 0.00 C ATOM 100 O CYS A 10 -0.660 -9.114 18.698 1.00 0.00 O ATOM 101 CB CYS A 10 0.907 -7.074 17.249 1.00 0.00 C ATOM 102 SG CYS A 10 -0.587 -6.533 16.359 1.00 0.00 S ATOM 0 H CYS A 10 2.349 -8.486 18.844 1.00 0.00 H new ATOM 0 HA CYS A 10 0.611 -6.142 19.163 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.722 -6.388 17.019 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.203 -8.055 16.878 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.270 -6.194 15.145 1.00 0.00 H new ATOM 107 N PRO A 11 -1.418 -7.355 19.883 1.00 0.00 N ATOM 108 CA PRO A 11 -2.665 -8.004 20.298 1.00 0.00 C ATOM 109 C PRO A 11 -3.635 -8.194 19.137 1.00 0.00 C ATOM 110 O PRO A 11 -4.798 -8.544 19.336 1.00 0.00 O ATOM 111 CB PRO A 11 -3.247 -7.030 21.326 1.00 0.00 C ATOM 112 CG PRO A 11 -2.674 -5.705 20.960 1.00 0.00 C ATOM 113 CD PRO A 11 -1.302 -5.985 20.411 1.00 0.00 C ATOM 0 HA PRO A 11 -2.491 -9.006 20.690 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.336 -7.015 21.285 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.970 -7.314 22.341 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.296 -5.202 20.219 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.620 -5.049 21.829 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.029 -5.275 19.630 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.538 -5.916 21.185 1.00 0.00 H new ATOM 121 N THR A 12 -3.148 -7.962 17.922 1.00 0.00 N ATOM 122 CA THR A 12 -3.971 -8.107 16.728 1.00 0.00 C ATOM 123 C THR A 12 -3.620 -9.382 15.969 1.00 0.00 C ATOM 124 O THR A 12 -4.471 -10.247 15.760 1.00 0.00 O ATOM 125 CB THR A 12 -3.809 -6.901 15.784 1.00 0.00 C ATOM 126 OG1 THR A 12 -3.749 -5.689 16.544 1.00 0.00 O ATOM 127 CG2 THR A 12 -4.963 -6.829 14.795 1.00 0.00 C ATOM 0 H THR A 12 -2.187 -7.673 17.739 1.00 0.00 H new ATOM 0 HA THR A 12 -5.007 -8.160 17.063 1.00 0.00 H new ATOM 0 HB THR A 12 -2.881 -7.026 15.226 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.816 -5.490 16.770 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.827 -5.969 14.139 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.988 -7.741 14.198 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.902 -6.725 15.339 1.00 0.00 H new ATOM 135 N CYS A 13 -2.360 -9.494 15.560 1.00 0.00 N ATOM 136 CA CYS A 13 -1.895 -10.664 14.825 1.00 0.00 C ATOM 137 C CYS A 13 -0.849 -11.430 15.628 1.00 0.00 C ATOM 138 O CYS A 13 -0.193 -12.335 15.110 1.00 0.00 O ATOM 139 CB CYS A 13 -1.311 -10.244 13.475 1.00 0.00 C ATOM 140 SG CYS A 13 0.115 -9.118 13.599 1.00 0.00 S ATOM 0 H CYS A 13 -1.643 -8.788 15.726 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.749 -11.320 14.656 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.008 -11.137 12.929 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -2.092 -9.761 12.888 1.00 0.00 H new ATOM 0 HG CYS A 13 -0.117 -8.223 14.513 1.00 0.00 H new ATOM 145 N HIS A 14 -0.697 -11.062 16.896 1.00 0.00 N ATOM 146 CA HIS A 14 0.269 -11.716 17.772 1.00 0.00 C ATOM 147 C HIS A 14 1.680 -11.602 17.204 1.00 0.00 C ATOM 148 O HIS A 14 2.521 -12.475 17.421 1.00 0.00 O ATOM 149 CB HIS A 14 -0.099 -13.187 17.965 1.00 0.00 C ATOM 150 CG HIS A 14 -1.441 -13.391 18.597 1.00 0.00 C ATOM 151 ND1 HIS A 14 -1.805 -12.811 19.794 1.00 0.00 N ATOM 152 CD2 HIS A 14 -2.510 -14.115 18.191 1.00 0.00 C ATOM 153 CE1 HIS A 14 -3.040 -13.171 20.097 1.00 0.00 C ATOM 154 NE2 HIS A 14 -3.490 -13.962 19.140 1.00 0.00 N ATOM 0 H HIS A 14 -1.230 -10.314 17.340 1.00 0.00 H new ATOM 0 HA HIS A 14 0.244 -11.214 18.739 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.083 -13.687 16.997 1.00 0.00 H new ATOM 0 HB3 HIS A 14 0.661 -13.665 18.583 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.579 -14.704 17.288 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.588 -12.870 20.977 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -4.415 -14.390 19.111 1.00 0.00 H new ATOM 162 N LYS A 15 1.934 -10.520 16.476 1.00 0.00 N ATOM 163 CA LYS A 15 3.244 -10.291 15.876 1.00 0.00 C ATOM 164 C LYS A 15 4.124 -9.453 16.797 1.00 0.00 C ATOM 165 O LYS A 15 3.848 -8.277 17.037 1.00 0.00 O ATOM 166 CB LYS A 15 3.093 -9.593 14.523 1.00 0.00 C ATOM 167 CG LYS A 15 4.411 -9.375 13.800 1.00 0.00 C ATOM 168 CD LYS A 15 4.216 -9.298 12.295 1.00 0.00 C ATOM 169 CE LYS A 15 4.227 -10.681 11.661 1.00 0.00 C ATOM 170 NZ LYS A 15 3.067 -11.503 12.104 1.00 0.00 N ATOM 0 H LYS A 15 1.250 -9.787 16.287 1.00 0.00 H new ATOM 0 HA LYS A 15 3.722 -11.259 15.727 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.434 -10.187 13.889 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.607 -8.629 14.673 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.874 -8.454 14.155 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.096 -10.189 14.038 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.270 -8.803 12.074 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.005 -8.688 11.855 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.209 -10.583 10.576 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.154 -11.192 11.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.953 -12.315 11.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.233 -11.845 13.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.204 -10.923 12.086 1.00 0.00 H new ATOM 184 N LYS A 16 5.187 -10.064 17.310 1.00 0.00 N ATOM 185 CA LYS A 16 6.110 -9.374 18.203 1.00 0.00 C ATOM 186 C LYS A 16 7.150 -8.588 17.409 1.00 0.00 C ATOM 187 O LYS A 16 7.380 -8.860 16.230 1.00 0.00 O ATOM 188 CB LYS A 16 6.808 -10.377 19.123 1.00 0.00 C ATOM 189 CG LYS A 16 5.895 -10.964 20.186 1.00 0.00 C ATOM 190 CD LYS A 16 6.665 -11.322 21.447 1.00 0.00 C ATOM 191 CE LYS A 16 5.846 -12.215 22.366 1.00 0.00 C ATOM 192 NZ LYS A 16 6.455 -12.324 23.720 1.00 0.00 N ATOM 0 H LYS A 16 5.430 -11.037 17.122 1.00 0.00 H new ATOM 0 HA LYS A 16 5.535 -8.674 18.809 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.217 -11.187 18.520 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.650 -9.886 19.610 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.110 -10.248 20.429 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.404 -11.854 19.794 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.592 -11.828 21.177 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.942 -10.410 21.976 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.835 -11.817 22.453 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.760 -13.208 21.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.867 -12.941 24.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.410 -12.728 23.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.514 -11.379 24.151 1.00 0.00 H new ATOM 206 N PHE A 17 7.775 -7.615 18.063 1.00 0.00 N ATOM 207 CA PHE A 17 8.790 -6.790 17.418 1.00 0.00 C ATOM 208 C PHE A 17 9.956 -6.522 18.366 1.00 0.00 C ATOM 209 O PHE A 17 9.814 -6.620 19.585 1.00 0.00 O ATOM 210 CB PHE A 17 8.182 -5.466 16.952 1.00 0.00 C ATOM 211 CG PHE A 17 7.123 -5.630 15.899 1.00 0.00 C ATOM 212 CD1 PHE A 17 5.840 -6.022 16.243 1.00 0.00 C ATOM 213 CD2 PHE A 17 7.412 -5.393 14.564 1.00 0.00 C ATOM 214 CE1 PHE A 17 4.863 -6.174 15.277 1.00 0.00 C ATOM 215 CE2 PHE A 17 6.439 -5.543 13.594 1.00 0.00 C ATOM 216 CZ PHE A 17 5.164 -5.935 13.950 1.00 0.00 C ATOM 0 H PHE A 17 7.597 -7.378 19.039 1.00 0.00 H new ATOM 0 HA PHE A 17 9.167 -7.333 16.551 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.752 -4.951 17.811 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.975 -4.828 16.562 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.600 -6.211 17.279 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.408 -5.088 14.279 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.866 -6.479 15.559 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.676 -5.354 12.558 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.403 -6.055 13.193 1.00 0.00 H new ATOM 226 N LEU A 18 11.107 -6.184 17.796 1.00 0.00 N ATOM 227 CA LEU A 18 12.299 -5.902 18.589 1.00 0.00 C ATOM 228 C LEU A 18 12.124 -4.619 19.396 1.00 0.00 C ATOM 229 O LEU A 18 12.542 -4.540 20.552 1.00 0.00 O ATOM 230 CB LEU A 18 13.524 -5.784 17.681 1.00 0.00 C ATOM 231 CG LEU A 18 13.394 -4.820 16.501 1.00 0.00 C ATOM 232 CD1 LEU A 18 14.729 -4.152 16.209 1.00 0.00 C ATOM 233 CD2 LEU A 18 12.880 -5.551 15.269 1.00 0.00 C ATOM 0 H LEU A 18 11.241 -6.098 16.788 1.00 0.00 H new ATOM 0 HA LEU A 18 12.448 -6.729 19.283 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.373 -5.471 18.289 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.759 -6.774 17.291 1.00 0.00 H new ATOM 0 HG LEU A 18 12.674 -4.046 16.766 1.00 0.00 H new ATOM 0 HD11 LEU A 18 14.618 -3.469 15.366 1.00 0.00 H new ATOM 0 HD12 LEU A 18 15.057 -3.595 17.087 1.00 0.00 H new ATOM 0 HD13 LEU A 18 15.471 -4.912 15.964 1.00 0.00 H new ATOM 0 HD21 LEU A 18 12.794 -4.849 14.439 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.576 -6.346 15.001 1.00 0.00 H new ATOM 0 HD23 LEU A 18 11.902 -5.982 15.483 1.00 0.00 H new ATOM 245 N SER A 19 11.503 -3.619 18.780 1.00 0.00 N ATOM 246 CA SER A 19 11.275 -2.339 19.441 1.00 0.00 C ATOM 247 C SER A 19 9.863 -1.830 19.166 1.00 0.00 C ATOM 248 O SER A 19 9.222 -2.235 18.196 1.00 0.00 O ATOM 249 CB SER A 19 12.302 -1.307 18.970 1.00 0.00 C ATOM 250 OG SER A 19 11.991 -0.016 19.464 1.00 0.00 O ATOM 0 H SER A 19 11.149 -3.670 17.825 1.00 0.00 H new ATOM 0 HA SER A 19 11.387 -2.488 20.515 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.297 -1.599 19.307 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.328 -1.286 17.881 1.00 0.00 H new ATOM 0 HG SER A 19 12.663 0.625 19.150 1.00 0.00 H new ATOM 256 N LYS A 20 9.384 -0.939 20.027 1.00 0.00 N ATOM 257 CA LYS A 20 8.049 -0.371 19.878 1.00 0.00 C ATOM 258 C LYS A 20 7.904 0.334 18.534 1.00 0.00 C ATOM 259 O LYS A 20 6.940 0.105 17.803 1.00 0.00 O ATOM 260 CB LYS A 20 7.761 0.611 21.016 1.00 0.00 C ATOM 261 CG LYS A 20 7.214 -0.052 22.268 1.00 0.00 C ATOM 262 CD LYS A 20 8.298 -0.812 23.015 1.00 0.00 C ATOM 263 CE LYS A 20 9.178 0.126 23.827 1.00 0.00 C ATOM 264 NZ LYS A 20 9.731 -0.543 25.037 1.00 0.00 N ATOM 0 H LYS A 20 9.901 -0.594 20.836 1.00 0.00 H new ATOM 0 HA LYS A 20 7.327 -1.187 19.919 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.679 1.142 21.268 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.047 1.357 20.669 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.782 0.705 22.923 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.410 -0.736 21.997 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.839 -1.546 23.677 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.912 -1.364 22.304 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.997 0.486 23.204 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.599 0.999 24.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.325 0.129 25.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.950 -0.864 25.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.305 -1.361 24.750 1.00 0.00 H new ATOM 278 N TYR A 21 8.867 1.191 18.214 1.00 0.00 N ATOM 279 CA TYR A 21 8.846 1.930 16.957 1.00 0.00 C ATOM 280 C TYR A 21 8.272 1.075 15.831 1.00 0.00 C ATOM 281 O TYR A 21 7.306 1.461 15.174 1.00 0.00 O ATOM 282 CB TYR A 21 10.256 2.396 16.591 1.00 0.00 C ATOM 283 CG TYR A 21 10.365 2.952 15.189 1.00 0.00 C ATOM 284 CD1 TYR A 21 10.527 2.109 14.097 1.00 0.00 C ATOM 285 CD2 TYR A 21 10.307 4.321 14.958 1.00 0.00 C ATOM 286 CE1 TYR A 21 10.628 2.613 12.814 1.00 0.00 C ATOM 287 CE2 TYR A 21 10.406 4.834 13.679 1.00 0.00 C ATOM 288 CZ TYR A 21 10.566 3.976 12.611 1.00 0.00 C ATOM 289 OH TYR A 21 10.666 4.483 11.335 1.00 0.00 O ATOM 0 H TYR A 21 9.672 1.391 18.808 1.00 0.00 H new ATOM 0 HA TYR A 21 8.205 2.802 17.089 1.00 0.00 H new ATOM 0 HB2 TYR A 21 10.573 3.160 17.301 1.00 0.00 H new ATOM 0 HB3 TYR A 21 10.945 1.558 16.695 1.00 0.00 H new ATOM 0 HD1 TYR A 21 10.575 1.041 14.253 1.00 0.00 H new ATOM 0 HD2 TYR A 21 10.182 4.995 15.792 1.00 0.00 H new ATOM 0 HE1 TYR A 21 10.755 1.944 11.976 1.00 0.00 H new ATOM 0 HE2 TYR A 21 10.358 5.901 13.516 1.00 0.00 H new ATOM 0 HH TYR A 21 10.602 5.460 11.365 1.00 0.00 H new ATOM 299 N TYR A 22 8.875 -0.089 15.616 1.00 0.00 N ATOM 300 CA TYR A 22 8.427 -1.000 14.570 1.00 0.00 C ATOM 301 C TYR A 22 6.974 -1.411 14.790 1.00 0.00 C ATOM 302 O TYR A 22 6.211 -1.576 13.838 1.00 0.00 O ATOM 303 CB TYR A 22 9.319 -2.241 14.528 1.00 0.00 C ATOM 304 CG TYR A 22 10.666 -1.997 13.887 1.00 0.00 C ATOM 305 CD1 TYR A 22 10.777 -1.253 12.718 1.00 0.00 C ATOM 306 CD2 TYR A 22 11.829 -2.512 14.448 1.00 0.00 C ATOM 307 CE1 TYR A 22 12.006 -1.028 12.129 1.00 0.00 C ATOM 308 CE2 TYR A 22 13.062 -2.290 13.866 1.00 0.00 C ATOM 309 CZ TYR A 22 13.145 -1.548 12.706 1.00 0.00 C ATOM 310 OH TYR A 22 14.371 -1.327 12.123 1.00 0.00 O ATOM 0 H TYR A 22 9.675 -0.424 16.152 1.00 0.00 H new ATOM 0 HA TYR A 22 8.497 -0.478 13.616 1.00 0.00 H new ATOM 0 HB2 TYR A 22 9.470 -2.604 15.545 1.00 0.00 H new ATOM 0 HB3 TYR A 22 8.803 -3.030 13.981 1.00 0.00 H new ATOM 0 HD1 TYR A 22 9.887 -0.844 12.263 1.00 0.00 H new ATOM 0 HD2 TYR A 22 11.767 -3.096 15.355 1.00 0.00 H new ATOM 0 HE1 TYR A 22 12.074 -0.448 11.221 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.956 -2.695 14.317 1.00 0.00 H new ATOM 0 HH TYR A 22 15.070 -1.761 12.656 1.00 0.00 H new ATOM 320 N LEU A 23 6.598 -1.574 16.054 1.00 0.00 N ATOM 321 CA LEU A 23 5.237 -1.965 16.403 1.00 0.00 C ATOM 322 C LEU A 23 4.243 -0.868 16.034 1.00 0.00 C ATOM 323 O LEU A 23 3.342 -1.078 15.223 1.00 0.00 O ATOM 324 CB LEU A 23 5.141 -2.275 17.898 1.00 0.00 C ATOM 325 CG LEU A 23 3.734 -2.517 18.444 1.00 0.00 C ATOM 326 CD1 LEU A 23 3.102 -3.727 17.774 1.00 0.00 C ATOM 327 CD2 LEU A 23 3.772 -2.701 19.954 1.00 0.00 C ATOM 0 H LEU A 23 7.217 -1.441 16.854 1.00 0.00 H new ATOM 0 HA LEU A 23 4.987 -2.862 15.836 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.746 -3.158 18.105 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.586 -1.447 18.450 1.00 0.00 H new ATOM 0 HG LEU A 23 3.123 -1.643 18.220 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.101 -3.884 18.175 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.039 -3.556 16.699 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.712 -4.609 17.966 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.762 -2.872 20.325 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.399 -3.558 20.200 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.183 -1.805 20.419 1.00 0.00 H new ATOM 339 N LYS A 24 4.416 0.305 16.634 1.00 0.00 N ATOM 340 CA LYS A 24 3.538 1.438 16.367 1.00 0.00 C ATOM 341 C LYS A 24 3.351 1.640 14.867 1.00 0.00 C ATOM 342 O LYS A 24 2.269 2.011 14.411 1.00 0.00 O ATOM 343 CB LYS A 24 4.108 2.711 16.997 1.00 0.00 C ATOM 344 CG LYS A 24 5.411 3.171 16.365 1.00 0.00 C ATOM 345 CD LYS A 24 5.702 4.627 16.685 1.00 0.00 C ATOM 346 CE LYS A 24 6.322 4.783 18.065 1.00 0.00 C ATOM 347 NZ LYS A 24 5.288 4.832 19.135 1.00 0.00 N ATOM 0 H LYS A 24 5.157 0.496 17.309 1.00 0.00 H new ATOM 0 HA LYS A 24 2.566 1.224 16.811 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.371 3.510 16.913 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.271 2.539 18.061 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.230 2.548 16.724 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.359 3.038 15.284 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.377 5.038 15.934 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.778 5.203 16.633 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.001 3.952 18.254 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.918 5.695 18.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.604 5.468 19.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.394 5.185 18.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.142 3.877 19.521 1.00 0.00 H new ATOM 361 N VAL A 25 4.411 1.392 14.104 1.00 0.00 N ATOM 362 CA VAL A 25 4.362 1.544 12.655 1.00 0.00 C ATOM 363 C VAL A 25 3.597 0.395 12.007 1.00 0.00 C ATOM 364 O VAL A 25 2.850 0.594 11.049 1.00 0.00 O ATOM 365 CB VAL A 25 5.777 1.610 12.050 1.00 0.00 C ATOM 366 CG1 VAL A 25 5.715 1.500 10.534 1.00 0.00 C ATOM 367 CG2 VAL A 25 6.476 2.893 12.472 1.00 0.00 C ATOM 0 H VAL A 25 5.314 1.085 14.466 1.00 0.00 H new ATOM 0 HA VAL A 25 3.844 2.481 12.452 1.00 0.00 H new ATOM 0 HB VAL A 25 6.355 0.767 12.428 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.724 1.549 10.124 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.256 0.551 10.257 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.121 2.321 10.134 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.475 2.924 12.036 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.902 3.752 12.124 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.554 2.925 13.559 1.00 0.00 H new ATOM 377 N HIS A 26 3.789 -0.809 12.537 1.00 0.00 N ATOM 378 CA HIS A 26 3.116 -1.992 12.011 1.00 0.00 C ATOM 379 C HIS A 26 1.618 -1.937 12.297 1.00 0.00 C ATOM 380 O HIS A 26 0.798 -2.055 11.387 1.00 0.00 O ATOM 381 CB HIS A 26 3.716 -3.259 12.619 1.00 0.00 C ATOM 382 CG HIS A 26 2.734 -4.382 12.756 1.00 0.00 C ATOM 383 ND1 HIS A 26 2.634 -5.409 11.841 1.00 0.00 N ATOM 384 CD2 HIS A 26 1.807 -4.636 13.708 1.00 0.00 C ATOM 385 CE1 HIS A 26 1.686 -6.246 12.225 1.00 0.00 C ATOM 386 NE2 HIS A 26 1.168 -5.799 13.355 1.00 0.00 N ATOM 0 H HIS A 26 4.405 -0.991 13.330 1.00 0.00 H new ATOM 0 HA HIS A 26 3.262 -2.012 10.931 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.549 -3.590 11.999 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.124 -3.022 13.602 1.00 0.00 H new ATOM 0 HD1 HIS A 26 3.203 -5.507 11.000 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.607 -4.036 14.583 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.386 -7.143 11.704 1.00 0.00 H new ATOM 394 N ASN A 27 1.269 -1.757 13.567 1.00 0.00 N ATOM 395 CA ASN A 27 -0.130 -1.688 13.972 1.00 0.00 C ATOM 396 C ASN A 27 -0.911 -0.735 13.072 1.00 0.00 C ATOM 397 O ASN A 27 -2.031 -1.035 12.657 1.00 0.00 O ATOM 398 CB ASN A 27 -0.239 -1.234 15.429 1.00 0.00 C ATOM 399 CG ASN A 27 -0.397 0.269 15.557 1.00 0.00 C ATOM 400 OD1 ASN A 27 0.552 0.979 15.888 1.00 0.00 O ATOM 401 ND2 ASN A 27 -1.602 0.761 15.293 1.00 0.00 N ATOM 0 H ASN A 27 1.935 -1.656 14.333 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.559 -2.685 13.875 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.091 -1.727 15.897 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.651 -1.550 15.973 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.769 1.765 15.361 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.360 0.135 15.022 1.00 0.00 H new ATOM 543 N PHE A 36 -16.319 -4.583 6.241 1.00 0.00 N ATOM 544 CA PHE A 36 -16.263 -6.009 6.540 1.00 0.00 C ATOM 545 C PHE A 36 -14.834 -6.532 6.427 1.00 0.00 C ATOM 546 O PHE A 36 -13.977 -5.897 5.815 1.00 0.00 O ATOM 547 CB PHE A 36 -17.179 -6.787 5.593 1.00 0.00 C ATOM 548 CG PHE A 36 -18.627 -6.404 5.710 1.00 0.00 C ATOM 549 CD1 PHE A 36 -19.146 -5.367 4.952 1.00 0.00 C ATOM 550 CD2 PHE A 36 -19.468 -7.080 6.579 1.00 0.00 C ATOM 551 CE1 PHE A 36 -20.478 -5.012 5.057 1.00 0.00 C ATOM 552 CE2 PHE A 36 -20.800 -6.729 6.688 1.00 0.00 C ATOM 553 CZ PHE A 36 -21.306 -5.693 5.927 1.00 0.00 C ATOM 0 HA PHE A 36 -16.605 -6.154 7.565 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -16.850 -6.624 4.567 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -17.076 -7.853 5.795 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -18.503 -4.830 4.271 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -19.078 -7.890 7.178 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -20.870 -4.203 4.459 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -21.446 -7.265 7.368 1.00 0.00 H new ATOM 0 HZ PHE A 36 -22.347 -5.417 6.012 1.00 0.00 H new ATOM 563 N GLU A 37 -14.587 -7.695 7.023 1.00 0.00 N ATOM 564 CA GLU A 37 -13.262 -8.302 6.991 1.00 0.00 C ATOM 565 C GLU A 37 -13.351 -9.813 7.187 1.00 0.00 C ATOM 566 O GLU A 37 -14.017 -10.293 8.105 1.00 0.00 O ATOM 567 CB GLU A 37 -12.368 -7.689 8.071 1.00 0.00 C ATOM 568 CG GLU A 37 -10.913 -8.114 7.971 1.00 0.00 C ATOM 569 CD GLU A 37 -10.043 -7.471 9.033 1.00 0.00 C ATOM 570 OE1 GLU A 37 -10.413 -7.537 10.224 1.00 0.00 O ATOM 571 OE2 GLU A 37 -8.990 -6.903 8.674 1.00 0.00 O ATOM 0 H GLU A 37 -15.286 -8.234 7.533 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.824 -8.104 6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.426 -6.603 8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.753 -7.969 9.051 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.848 -9.198 8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.529 -7.853 6.985 1.00 0.00 H new ATOM 578 N CYS A 38 -12.676 -10.558 6.318 1.00 0.00 N ATOM 579 CA CYS A 38 -12.679 -12.014 6.393 1.00 0.00 C ATOM 580 C CYS A 38 -12.234 -12.488 7.773 1.00 0.00 C ATOM 581 O CYS A 38 -11.081 -12.322 8.172 1.00 0.00 O ATOM 582 CB CYS A 38 -11.762 -12.602 5.319 1.00 0.00 C ATOM 583 SG CYS A 38 -12.187 -14.305 4.831 1.00 0.00 S ATOM 0 H CYS A 38 -12.119 -10.177 5.553 1.00 0.00 H new ATOM 0 HA CYS A 38 -13.698 -12.360 6.221 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -11.797 -11.963 4.437 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -10.735 -12.585 5.684 1.00 0.00 H new ATOM 0 HG CYS A 38 -12.722 -14.925 5.841 1.00 0.00 H new ATOM 588 N PRO A 39 -13.168 -13.093 8.521 1.00 0.00 N ATOM 589 CA PRO A 39 -12.896 -13.604 9.867 1.00 0.00 C ATOM 590 C PRO A 39 -11.981 -14.824 9.850 1.00 0.00 C ATOM 591 O PRO A 39 -11.673 -15.397 10.895 1.00 0.00 O ATOM 592 CB PRO A 39 -14.284 -13.984 10.390 1.00 0.00 C ATOM 593 CG PRO A 39 -15.088 -14.257 9.166 1.00 0.00 C ATOM 594 CD PRO A 39 -14.563 -13.324 8.110 1.00 0.00 C ATOM 0 HA PRO A 39 -12.379 -12.870 10.485 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -14.237 -14.860 11.037 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -14.720 -13.177 10.978 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.985 -15.297 8.855 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -16.148 -14.083 9.349 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.621 -13.769 7.116 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.131 -12.394 8.077 1.00 0.00 H new ATOM 602 N LYS A 40 -11.548 -15.216 8.657 1.00 0.00 N ATOM 603 CA LYS A 40 -10.666 -16.367 8.502 1.00 0.00 C ATOM 604 C LYS A 40 -9.214 -15.923 8.357 1.00 0.00 C ATOM 605 O LYS A 40 -8.314 -16.496 8.974 1.00 0.00 O ATOM 606 CB LYS A 40 -11.082 -17.194 7.284 1.00 0.00 C ATOM 607 CG LYS A 40 -12.418 -17.895 7.453 1.00 0.00 C ATOM 608 CD LYS A 40 -12.261 -19.237 8.148 1.00 0.00 C ATOM 609 CE LYS A 40 -13.610 -19.868 8.455 1.00 0.00 C ATOM 610 NZ LYS A 40 -13.532 -21.355 8.489 1.00 0.00 N ATOM 0 H LYS A 40 -11.794 -14.753 7.782 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.752 -16.983 9.397 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.131 -16.542 6.412 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.313 -17.939 7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.091 -17.262 8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.879 -18.042 6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.679 -19.909 7.517 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.701 -19.105 9.074 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.972 -19.501 9.415 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -14.335 -19.559 7.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.472 -21.747 8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.211 -21.707 7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.859 -21.651 9.225 1.00 0.00 H new ATOM 624 N CYS A 41 -8.991 -14.899 7.540 1.00 0.00 N ATOM 625 CA CYS A 41 -7.648 -14.378 7.315 1.00 0.00 C ATOM 626 C CYS A 41 -7.520 -12.956 7.853 1.00 0.00 C ATOM 627 O CYS A 41 -6.521 -12.606 8.480 1.00 0.00 O ATOM 628 CB CYS A 41 -7.313 -14.402 5.822 1.00 0.00 C ATOM 629 SG CYS A 41 -8.525 -13.535 4.774 1.00 0.00 S ATOM 0 H CYS A 41 -9.724 -14.413 7.022 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.943 -15.015 7.849 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.332 -13.951 5.673 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.240 -15.439 5.493 1.00 0.00 H new ATOM 0 HG CYS A 41 -9.677 -14.131 4.859 1.00 0.00 H new ATOM 634 N GLY A 42 -8.539 -12.140 7.603 1.00 0.00 N ATOM 635 CA GLY A 42 -8.521 -10.766 8.069 1.00 0.00 C ATOM 636 C GLY A 42 -8.265 -9.777 6.949 1.00 0.00 C ATOM 637 O GLY A 42 -7.564 -8.782 7.136 1.00 0.00 O ATOM 0 H GLY A 42 -9.377 -12.406 7.086 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.475 -10.534 8.543 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.750 -10.654 8.831 1.00 0.00 H new ATOM 641 N LYS A 43 -8.834 -10.050 5.780 1.00 0.00 N ATOM 642 CA LYS A 43 -8.665 -9.178 4.624 1.00 0.00 C ATOM 643 C LYS A 43 -9.883 -8.279 4.438 1.00 0.00 C ATOM 644 O LYS A 43 -10.979 -8.756 4.140 1.00 0.00 O ATOM 645 CB LYS A 43 -8.435 -10.010 3.360 1.00 0.00 C ATOM 646 CG LYS A 43 -7.562 -9.319 2.327 1.00 0.00 C ATOM 647 CD LYS A 43 -8.394 -8.506 1.349 1.00 0.00 C ATOM 648 CE LYS A 43 -7.614 -7.319 0.806 1.00 0.00 C ATOM 649 NZ LYS A 43 -8.437 -6.490 -0.117 1.00 0.00 N ATOM 0 H LYS A 43 -9.417 -10.869 5.608 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.793 -8.548 4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.973 -10.958 3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.399 -10.245 2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.849 -8.666 2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.983 -10.064 1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.712 -9.143 0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.298 -8.153 1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.266 -6.703 1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.728 -7.676 0.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.873 -6.239 -0.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.276 -7.029 -0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.737 -5.622 0.371 1.00 0.00 H new ATOM 663 N CYS A 44 -9.684 -6.977 4.613 1.00 0.00 N ATOM 664 CA CYS A 44 -10.766 -6.011 4.464 1.00 0.00 C ATOM 665 C CYS A 44 -11.342 -6.054 3.052 1.00 0.00 C ATOM 666 O CYS A 44 -10.665 -6.456 2.106 1.00 0.00 O ATOM 667 CB CYS A 44 -10.267 -4.601 4.781 1.00 0.00 C ATOM 668 SG CYS A 44 -8.912 -4.042 3.722 1.00 0.00 S ATOM 0 H CYS A 44 -8.783 -6.566 4.858 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.555 -6.275 5.168 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -11.099 -3.903 4.687 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -9.939 -4.568 5.820 1.00 0.00 H new ATOM 0 HG CYS A 44 -8.561 -2.838 4.066 1.00 0.00 H new ATOM 674 N TYR A 45 -12.597 -5.639 2.918 1.00 0.00 N ATOM 675 CA TYR A 45 -13.266 -5.633 1.623 1.00 0.00 C ATOM 676 C TYR A 45 -14.379 -4.590 1.589 1.00 0.00 C ATOM 677 O TYR A 45 -15.367 -4.695 2.316 1.00 0.00 O ATOM 678 CB TYR A 45 -13.840 -7.018 1.316 1.00 0.00 C ATOM 679 CG TYR A 45 -12.833 -7.971 0.715 1.00 0.00 C ATOM 680 CD1 TYR A 45 -12.164 -7.656 -0.461 1.00 0.00 C ATOM 681 CD2 TYR A 45 -12.550 -9.188 1.323 1.00 0.00 C ATOM 682 CE1 TYR A 45 -11.243 -8.524 -1.015 1.00 0.00 C ATOM 683 CE2 TYR A 45 -11.629 -10.062 0.777 1.00 0.00 C ATOM 684 CZ TYR A 45 -10.979 -9.726 -0.391 1.00 0.00 C ATOM 685 OH TYR A 45 -10.062 -10.594 -0.939 1.00 0.00 O ATOM 0 H TYR A 45 -13.171 -5.302 3.691 1.00 0.00 H new ATOM 0 HA TYR A 45 -12.529 -5.375 0.863 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -14.233 -7.451 2.236 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -14.680 -6.910 0.630 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -12.368 -6.715 -0.951 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -13.058 -9.455 2.238 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.733 -8.263 -1.931 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.420 -11.003 1.263 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.182 -11.485 -0.549 1.00 0.00 H new ATOM 695 N PHE A 46 -14.211 -3.583 0.738 1.00 0.00 N ATOM 696 CA PHE A 46 -15.200 -2.520 0.607 1.00 0.00 C ATOM 697 C PHE A 46 -16.616 -3.087 0.638 1.00 0.00 C ATOM 698 O PHE A 46 -17.432 -2.701 1.475 1.00 0.00 O ATOM 699 CB PHE A 46 -14.977 -1.744 -0.693 1.00 0.00 C ATOM 700 CG PHE A 46 -15.731 -0.446 -0.753 1.00 0.00 C ATOM 701 CD1 PHE A 46 -15.362 0.622 0.048 1.00 0.00 C ATOM 702 CD2 PHE A 46 -16.809 -0.295 -1.611 1.00 0.00 C ATOM 703 CE1 PHE A 46 -16.054 1.818 -0.005 1.00 0.00 C ATOM 704 CE2 PHE A 46 -17.503 0.898 -1.669 1.00 0.00 C ATOM 705 CZ PHE A 46 -17.126 1.956 -0.864 1.00 0.00 C ATOM 0 H PHE A 46 -13.399 -3.481 0.129 1.00 0.00 H new ATOM 0 HA PHE A 46 -15.081 -1.842 1.452 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -13.912 -1.542 -0.808 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -15.276 -2.368 -1.535 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -14.524 0.519 0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -17.110 -1.119 -2.241 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -15.756 2.643 0.625 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -18.340 1.004 -2.343 1.00 0.00 H new ATOM 0 HZ PHE A 46 -17.669 2.889 -0.907 1.00 0.00 H new ATOM 715 N ARG A 47 -16.900 -4.004 -0.281 1.00 0.00 N ATOM 716 CA ARG A 47 -18.217 -4.623 -0.361 1.00 0.00 C ATOM 717 C ARG A 47 -18.168 -6.070 0.122 1.00 0.00 C ATOM 718 O ARG A 47 -17.151 -6.749 -0.020 1.00 0.00 O ATOM 719 CB ARG A 47 -18.742 -4.571 -1.797 1.00 0.00 C ATOM 720 CG ARG A 47 -19.215 -3.191 -2.223 1.00 0.00 C ATOM 721 CD ARG A 47 -20.609 -2.892 -1.696 1.00 0.00 C ATOM 722 NE ARG A 47 -20.614 -2.676 -0.251 1.00 0.00 N ATOM 723 CZ ARG A 47 -21.663 -2.925 0.525 1.00 0.00 C ATOM 724 NH1 ARG A 47 -22.785 -3.395 -0.001 1.00 0.00 N ATOM 725 NH2 ARG A 47 -21.590 -2.703 1.831 1.00 0.00 N ATOM 0 H ARG A 47 -16.235 -4.335 -0.981 1.00 0.00 H new ATOM 0 HA ARG A 47 -18.893 -4.065 0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -17.955 -4.901 -2.475 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -19.567 -5.276 -1.899 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.517 -2.437 -1.857 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -19.214 -3.125 -3.311 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -21.003 -2.007 -2.196 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -21.274 -3.720 -1.941 1.00 0.00 H new ATOM 0 HE ARG A 47 -19.766 -2.314 0.186 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.845 -3.567 -1.005 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.589 -3.585 0.598 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -20.728 -2.341 2.239 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -22.396 -2.894 2.427 1.00 0.00 H new ATOM 739 N LYS A 48 -19.273 -6.535 0.694 1.00 0.00 N ATOM 740 CA LYS A 48 -19.358 -7.901 1.198 1.00 0.00 C ATOM 741 C LYS A 48 -19.358 -8.905 0.050 1.00 0.00 C ATOM 742 O LYS A 48 -18.662 -9.918 0.100 1.00 0.00 O ATOM 743 CB LYS A 48 -20.621 -8.077 2.044 1.00 0.00 C ATOM 744 CG LYS A 48 -20.497 -9.155 3.106 1.00 0.00 C ATOM 745 CD LYS A 48 -21.714 -9.185 4.015 1.00 0.00 C ATOM 746 CE LYS A 48 -22.778 -10.137 3.490 1.00 0.00 C ATOM 747 NZ LYS A 48 -22.495 -11.549 3.871 1.00 0.00 N ATOM 0 H LYS A 48 -20.123 -5.986 0.820 1.00 0.00 H new ATOM 0 HA LYS A 48 -18.483 -8.087 1.820 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -20.860 -7.129 2.527 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -21.457 -8.320 1.388 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -20.376 -10.127 2.627 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -19.601 -8.979 3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -21.413 -9.490 5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -22.131 -8.182 4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -23.752 -9.844 3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -22.833 -10.058 2.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -23.094 -12.187 3.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -21.494 -11.764 3.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -22.700 -11.684 4.882 1.00 0.00 H new ATOM 761 N GLU A 49 -20.142 -8.615 -0.984 1.00 0.00 N ATOM 762 CA GLU A 49 -20.231 -9.494 -2.144 1.00 0.00 C ATOM 763 C GLU A 49 -18.890 -10.168 -2.420 1.00 0.00 C ATOM 764 O GLU A 49 -18.801 -11.393 -2.485 1.00 0.00 O ATOM 765 CB GLU A 49 -20.681 -8.706 -3.376 1.00 0.00 C ATOM 766 CG GLU A 49 -22.040 -8.045 -3.213 1.00 0.00 C ATOM 767 CD GLU A 49 -22.767 -7.872 -4.532 1.00 0.00 C ATOM 768 OE1 GLU A 49 -22.982 -8.885 -5.229 1.00 0.00 O ATOM 769 OE2 GLU A 49 -23.121 -6.722 -4.867 1.00 0.00 O ATOM 0 H GLU A 49 -20.724 -7.779 -1.042 1.00 0.00 H new ATOM 0 HA GLU A 49 -20.969 -10.266 -1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -19.938 -7.940 -3.598 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -20.713 -9.377 -4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -22.653 -8.645 -2.541 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -21.911 -7.070 -2.743 1.00 0.00 H new ATOM 776 N ASN A 50 -17.850 -9.357 -2.583 1.00 0.00 N ATOM 777 CA ASN A 50 -16.513 -9.874 -2.854 1.00 0.00 C ATOM 778 C ASN A 50 -16.026 -10.751 -1.704 1.00 0.00 C ATOM 779 O ASN A 50 -15.477 -11.832 -1.922 1.00 0.00 O ATOM 780 CB ASN A 50 -15.534 -8.721 -3.081 1.00 0.00 C ATOM 781 CG ASN A 50 -15.571 -8.203 -4.506 1.00 0.00 C ATOM 782 OD1 ASN A 50 -16.634 -8.129 -5.123 1.00 0.00 O ATOM 783 ND2 ASN A 50 -14.408 -7.841 -5.035 1.00 0.00 N ATOM 0 H ASN A 50 -17.907 -8.340 -2.532 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.562 -10.483 -3.757 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -15.770 -7.907 -2.395 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.523 -9.054 -2.845 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -14.371 -7.484 -5.990 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.552 -7.920 -4.486 1.00 0.00 H new ATOM 790 N LEU A 51 -16.230 -10.278 -0.479 1.00 0.00 N ATOM 791 CA LEU A 51 -15.813 -11.018 0.706 1.00 0.00 C ATOM 792 C LEU A 51 -16.376 -12.435 0.690 1.00 0.00 C ATOM 793 O LEU A 51 -15.667 -13.401 0.977 1.00 0.00 O ATOM 794 CB LEU A 51 -16.268 -10.291 1.972 1.00 0.00 C ATOM 795 CG LEU A 51 -16.254 -11.114 3.261 1.00 0.00 C ATOM 796 CD1 LEU A 51 -14.826 -11.424 3.681 1.00 0.00 C ATOM 797 CD2 LEU A 51 -16.990 -10.378 4.371 1.00 0.00 C ATOM 0 H LEU A 51 -16.682 -9.385 -0.281 1.00 0.00 H new ATOM 0 HA LEU A 51 -14.725 -11.079 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -15.630 -9.419 2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -17.281 -9.922 1.811 1.00 0.00 H new ATOM 0 HG LEU A 51 -16.768 -12.056 3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.836 -12.010 4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.330 -11.992 2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.286 -10.492 3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -16.970 -10.978 5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -16.504 -9.420 4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -18.024 -10.208 4.071 1.00 0.00 H new ATOM 809 N LEU A 52 -17.655 -12.554 0.350 1.00 0.00 N ATOM 810 CA LEU A 52 -18.315 -13.854 0.294 1.00 0.00 C ATOM 811 C LEU A 52 -17.595 -14.788 -0.674 1.00 0.00 C ATOM 812 O LEU A 52 -17.353 -15.953 -0.362 1.00 0.00 O ATOM 813 CB LEU A 52 -19.775 -13.689 -0.130 1.00 0.00 C ATOM 814 CG LEU A 52 -20.724 -13.133 0.933 1.00 0.00 C ATOM 815 CD1 LEU A 52 -22.062 -12.763 0.313 1.00 0.00 C ATOM 816 CD2 LEU A 52 -20.915 -14.140 2.057 1.00 0.00 C ATOM 0 H LEU A 52 -18.256 -11.766 0.109 1.00 0.00 H new ATOM 0 HA LEU A 52 -18.280 -14.295 1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -19.808 -13.031 -0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -20.151 -14.660 -0.452 1.00 0.00 H new ATOM 0 HG LEU A 52 -20.280 -12.231 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -22.724 -12.369 1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -21.910 -12.005 -0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -22.513 -13.649 -0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -21.593 -13.727 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -21.337 -15.060 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -19.952 -14.355 2.520 1.00 0.00 H new ATOM 828 N GLU A 53 -17.254 -14.267 -1.848 1.00 0.00 N ATOM 829 CA GLU A 53 -16.561 -15.055 -2.860 1.00 0.00 C ATOM 830 C GLU A 53 -15.174 -15.465 -2.374 1.00 0.00 C ATOM 831 O GLU A 53 -14.897 -16.649 -2.178 1.00 0.00 O ATOM 832 CB GLU A 53 -16.442 -14.261 -4.164 1.00 0.00 C ATOM 833 CG GLU A 53 -17.783 -13.925 -4.795 1.00 0.00 C ATOM 834 CD GLU A 53 -17.639 -13.293 -6.166 1.00 0.00 C ATOM 835 OE1 GLU A 53 -16.875 -12.313 -6.292 1.00 0.00 O ATOM 836 OE2 GLU A 53 -18.292 -13.779 -7.114 1.00 0.00 O ATOM 0 H GLU A 53 -17.446 -13.303 -2.122 1.00 0.00 H new ATOM 0 HA GLU A 53 -17.145 -15.957 -3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.900 -13.336 -3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.848 -14.834 -4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -18.379 -14.834 -4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -18.328 -13.245 -4.141 1.00 0.00 H new ATOM 843 N HIS A 54 -14.304 -14.478 -2.183 1.00 0.00 N ATOM 844 CA HIS A 54 -12.945 -14.736 -1.719 1.00 0.00 C ATOM 845 C HIS A 54 -12.921 -15.887 -0.719 1.00 0.00 C ATOM 846 O HIS A 54 -12.000 -16.703 -0.721 1.00 0.00 O ATOM 847 CB HIS A 54 -12.354 -13.478 -1.081 1.00 0.00 C ATOM 848 CG HIS A 54 -11.373 -13.766 0.013 1.00 0.00 C ATOM 849 ND1 HIS A 54 -10.009 -13.652 -0.151 1.00 0.00 N ATOM 850 CD2 HIS A 54 -11.565 -14.164 1.292 1.00 0.00 C ATOM 851 CE1 HIS A 54 -9.404 -13.969 0.980 1.00 0.00 C ATOM 852 NE2 HIS A 54 -10.326 -14.283 1.872 1.00 0.00 N ATOM 0 H HIS A 54 -14.516 -13.493 -2.342 1.00 0.00 H new ATOM 0 HA HIS A 54 -12.340 -15.016 -2.582 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -11.862 -12.886 -1.853 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -13.164 -12.869 -0.680 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -12.516 -14.353 1.768 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -8.337 -13.971 1.147 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -10.147 -14.568 2.835 1.00 0.00 H new ATOM 860 N GLU A 55 -13.940 -15.946 0.133 1.00 0.00 N ATOM 861 CA GLU A 55 -14.033 -16.997 1.140 1.00 0.00 C ATOM 862 C GLU A 55 -14.056 -18.376 0.486 1.00 0.00 C ATOM 863 O GLU A 55 -13.303 -19.270 0.872 1.00 0.00 O ATOM 864 CB GLU A 55 -15.288 -16.805 1.994 1.00 0.00 C ATOM 865 CG GLU A 55 -15.107 -15.806 3.125 1.00 0.00 C ATOM 866 CD GLU A 55 -14.569 -16.447 4.389 1.00 0.00 C ATOM 867 OE1 GLU A 55 -13.594 -17.222 4.292 1.00 0.00 O ATOM 868 OE2 GLU A 55 -15.123 -16.175 5.475 1.00 0.00 O ATOM 0 H GLU A 55 -14.712 -15.279 0.146 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.153 -16.932 1.780 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.105 -16.473 1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.583 -17.767 2.414 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.426 -15.018 2.803 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.064 -15.331 3.342 1.00 0.00 H new ATOM 875 N ALA A 56 -14.925 -18.540 -0.506 1.00 0.00 N ATOM 876 CA ALA A 56 -15.045 -19.808 -1.215 1.00 0.00 C ATOM 877 C ALA A 56 -13.958 -19.949 -2.275 1.00 0.00 C ATOM 878 O ALA A 56 -13.264 -20.964 -2.333 1.00 0.00 O ATOM 879 CB ALA A 56 -16.423 -19.929 -1.849 1.00 0.00 C ATOM 0 H ALA A 56 -15.556 -17.810 -0.837 1.00 0.00 H new ATOM 0 HA ALA A 56 -14.917 -20.614 -0.493 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.499 -20.880 -2.375 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.186 -19.882 -1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -16.572 -19.111 -2.554 1.00 0.00 H new ATOM 885 N ARG A 57 -13.817 -18.926 -3.111 1.00 0.00 N ATOM 886 CA ARG A 57 -12.815 -18.938 -4.170 1.00 0.00 C ATOM 887 C ARG A 57 -11.429 -19.232 -3.604 1.00 0.00 C ATOM 888 O ARG A 57 -10.822 -20.254 -3.921 1.00 0.00 O ATOM 889 CB ARG A 57 -12.804 -17.597 -4.906 1.00 0.00 C ATOM 890 CG ARG A 57 -14.112 -17.277 -5.610 1.00 0.00 C ATOM 891 CD ARG A 57 -14.340 -18.192 -6.803 1.00 0.00 C ATOM 892 NE ARG A 57 -15.715 -18.124 -7.291 1.00 0.00 N ATOM 893 CZ ARG A 57 -16.106 -18.620 -8.460 1.00 0.00 C ATOM 894 NH1 ARG A 57 -15.230 -19.218 -9.256 1.00 0.00 N ATOM 895 NH2 ARG A 57 -17.375 -18.519 -8.833 1.00 0.00 N ATOM 0 H ARG A 57 -14.384 -18.079 -3.076 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.076 -19.728 -4.874 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.581 -16.803 -4.193 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -11.998 -17.602 -5.640 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -14.939 -17.380 -4.908 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.103 -16.239 -5.942 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.656 -17.917 -7.606 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -14.106 -19.219 -6.522 1.00 0.00 H new ATOM 0 HE ARG A 57 -16.414 -17.671 -6.702 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.254 -19.298 -8.971 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.532 -19.598 -10.153 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -18.051 -18.060 -8.222 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -17.675 -18.900 -9.731 1.00 0.00 H new ATOM 909 N ASN A 58 -10.934 -18.327 -2.765 1.00 0.00 N ATOM 910 CA ASN A 58 -9.619 -18.489 -2.156 1.00 0.00 C ATOM 911 C ASN A 58 -9.443 -17.534 -0.979 1.00 0.00 C ATOM 912 O ASN A 58 -9.551 -16.317 -1.131 1.00 0.00 O ATOM 913 CB ASN A 58 -8.520 -18.245 -3.193 1.00 0.00 C ATOM 914 CG ASN A 58 -8.473 -19.329 -4.252 1.00 0.00 C ATOM 915 OD1 ASN A 58 -8.133 -20.477 -3.966 1.00 0.00 O ATOM 916 ND2 ASN A 58 -8.815 -18.968 -5.483 1.00 0.00 N ATOM 0 H ASN A 58 -11.424 -17.475 -2.492 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.541 -19.512 -1.787 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -8.684 -17.280 -3.672 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -7.555 -18.191 -2.689 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.803 -19.654 -6.238 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.090 -18.005 -5.674 1.00 0.00 H new ATOM 1031 N VAL A 66 3.471 -8.976 -4.773 1.00 0.00 N ATOM 1032 CA VAL A 66 4.562 -8.009 -4.803 1.00 0.00 C ATOM 1033 C VAL A 66 5.294 -8.048 -6.139 1.00 0.00 C ATOM 1034 O VAL A 66 5.057 -8.931 -6.964 1.00 0.00 O ATOM 1035 CB VAL A 66 5.572 -8.267 -3.669 1.00 0.00 C ATOM 1036 CG1 VAL A 66 4.918 -8.050 -2.312 1.00 0.00 C ATOM 1037 CG2 VAL A 66 6.144 -9.672 -3.775 1.00 0.00 C ATOM 0 HA VAL A 66 4.116 -7.024 -4.665 1.00 0.00 H new ATOM 0 HB VAL A 66 6.393 -7.557 -3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.646 -8.237 -1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.561 -7.023 -2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.078 -8.735 -2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.856 -9.837 -2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.336 -10.400 -3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.651 -9.787 -4.733 1.00 0.00 H new ATOM 1047 N PHE A 67 6.187 -7.086 -6.347 1.00 0.00 N ATOM 1048 CA PHE A 67 6.955 -7.009 -7.584 1.00 0.00 C ATOM 1049 C PHE A 67 8.449 -7.142 -7.306 1.00 0.00 C ATOM 1050 O PHE A 67 8.915 -6.859 -6.201 1.00 0.00 O ATOM 1051 CB PHE A 67 6.674 -5.688 -8.303 1.00 0.00 C ATOM 1052 CG PHE A 67 5.246 -5.537 -8.742 1.00 0.00 C ATOM 1053 CD1 PHE A 67 4.228 -5.424 -7.809 1.00 0.00 C ATOM 1054 CD2 PHE A 67 4.920 -5.508 -10.089 1.00 0.00 C ATOM 1055 CE1 PHE A 67 2.913 -5.284 -8.209 1.00 0.00 C ATOM 1056 CE2 PHE A 67 3.607 -5.368 -10.496 1.00 0.00 C ATOM 1057 CZ PHE A 67 2.602 -5.257 -9.555 1.00 0.00 C ATOM 0 H PHE A 67 6.397 -6.348 -5.674 1.00 0.00 H new ATOM 0 HA PHE A 67 6.648 -7.836 -8.225 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.932 -4.861 -7.641 1.00 0.00 H new ATOM 0 HB3 PHE A 67 7.324 -5.613 -9.175 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.465 -5.446 -6.756 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.702 -5.596 -10.829 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.130 -5.196 -7.471 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.367 -5.345 -11.549 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.575 -5.149 -9.871 1.00 0.00 H new ATOM 1067 N THR A 68 9.198 -7.575 -8.316 1.00 0.00 N ATOM 1068 CA THR A 68 10.638 -7.747 -8.181 1.00 0.00 C ATOM 1069 C THR A 68 11.393 -6.858 -9.163 1.00 0.00 C ATOM 1070 O THR A 68 11.104 -6.852 -10.360 1.00 0.00 O ATOM 1071 CB THR A 68 11.053 -9.213 -8.410 1.00 0.00 C ATOM 1072 OG1 THR A 68 10.395 -10.062 -7.463 1.00 0.00 O ATOM 1073 CG2 THR A 68 12.560 -9.375 -8.283 1.00 0.00 C ATOM 0 H THR A 68 8.830 -7.813 -9.237 1.00 0.00 H new ATOM 0 HA THR A 68 10.896 -7.459 -7.162 1.00 0.00 H new ATOM 0 HB THR A 68 10.757 -9.498 -9.420 1.00 0.00 H new ATOM 0 HG1 THR A 68 10.663 -10.992 -7.616 1.00 0.00 H new ATOM 0 HG21 THR A 68 12.829 -10.418 -8.449 1.00 0.00 H new ATOM 0 HG22 THR A 68 13.057 -8.750 -9.025 1.00 0.00 H new ATOM 0 HG23 THR A 68 12.876 -9.073 -7.284 1.00 0.00 H new ATOM 1081 N CYS A 69 12.362 -6.107 -8.650 1.00 0.00 N ATOM 1082 CA CYS A 69 13.159 -5.214 -9.481 1.00 0.00 C ATOM 1083 C CYS A 69 13.839 -5.984 -10.610 1.00 0.00 C ATOM 1084 O CYS A 69 13.774 -7.212 -10.665 1.00 0.00 O ATOM 1085 CB CYS A 69 14.211 -4.496 -8.633 1.00 0.00 C ATOM 1086 SG CYS A 69 14.796 -2.925 -9.346 1.00 0.00 S ATOM 0 H CYS A 69 12.614 -6.100 -7.662 1.00 0.00 H new ATOM 0 HA CYS A 69 12.490 -4.474 -9.920 1.00 0.00 H new ATOM 0 HB2 CYS A 69 13.794 -4.301 -7.645 1.00 0.00 H new ATOM 0 HB3 CYS A 69 15.065 -5.160 -8.494 1.00 0.00 H new ATOM 0 HG CYS A 69 16.096 -2.909 -9.353 1.00 0.00 H new ATOM 1091 N SER A 70 14.491 -5.252 -11.508 1.00 0.00 N ATOM 1092 CA SER A 70 15.181 -5.865 -12.638 1.00 0.00 C ATOM 1093 C SER A 70 16.685 -5.627 -12.550 1.00 0.00 C ATOM 1094 O SER A 70 17.437 -5.993 -13.454 1.00 0.00 O ATOM 1095 CB SER A 70 14.641 -5.307 -13.956 1.00 0.00 C ATOM 1096 OG SER A 70 15.144 -6.035 -15.062 1.00 0.00 O ATOM 0 H SER A 70 14.556 -4.235 -11.475 1.00 0.00 H new ATOM 0 HA SER A 70 14.998 -6.939 -12.604 1.00 0.00 H new ATOM 0 HB2 SER A 70 13.552 -5.350 -13.954 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.919 -4.257 -14.051 1.00 0.00 H new ATOM 0 HG SER A 70 16.087 -6.254 -14.908 1.00 0.00 H new ATOM 1102 N VAL A 71 17.118 -5.012 -11.454 1.00 0.00 N ATOM 1103 CA VAL A 71 18.532 -4.725 -11.246 1.00 0.00 C ATOM 1104 C VAL A 71 19.020 -5.300 -9.921 1.00 0.00 C ATOM 1105 O VAL A 71 20.053 -5.968 -9.864 1.00 0.00 O ATOM 1106 CB VAL A 71 18.807 -3.210 -11.268 1.00 0.00 C ATOM 1107 CG1 VAL A 71 20.274 -2.929 -10.982 1.00 0.00 C ATOM 1108 CG2 VAL A 71 18.391 -2.613 -12.604 1.00 0.00 C ATOM 0 H VAL A 71 16.509 -4.703 -10.696 1.00 0.00 H new ATOM 0 HA VAL A 71 19.074 -5.197 -12.065 1.00 0.00 H new ATOM 0 HB VAL A 71 18.213 -2.739 -10.485 1.00 0.00 H new ATOM 0 HG11 VAL A 71 20.449 -1.853 -11.002 1.00 0.00 H new ATOM 0 HG12 VAL A 71 20.535 -3.321 -9.999 1.00 0.00 H new ATOM 0 HG13 VAL A 71 20.891 -3.411 -11.740 1.00 0.00 H new ATOM 0 HG21 VAL A 71 18.592 -1.542 -12.602 1.00 0.00 H new ATOM 0 HG22 VAL A 71 18.956 -3.087 -13.406 1.00 0.00 H new ATOM 0 HG23 VAL A 71 17.326 -2.782 -12.762 1.00 0.00 H new ATOM 1118 N CYS A 72 18.270 -5.036 -8.856 1.00 0.00 N ATOM 1119 CA CYS A 72 18.625 -5.527 -7.530 1.00 0.00 C ATOM 1120 C CYS A 72 17.609 -6.555 -7.040 1.00 0.00 C ATOM 1121 O CYS A 72 17.766 -7.133 -5.965 1.00 0.00 O ATOM 1122 CB CYS A 72 18.709 -4.364 -6.538 1.00 0.00 C ATOM 1123 SG CYS A 72 17.149 -3.445 -6.337 1.00 0.00 S ATOM 0 H CYS A 72 17.412 -4.485 -8.886 1.00 0.00 H new ATOM 0 HA CYS A 72 19.600 -6.010 -7.598 1.00 0.00 H new ATOM 0 HB2 CYS A 72 19.019 -4.750 -5.567 1.00 0.00 H new ATOM 0 HB3 CYS A 72 19.485 -3.674 -6.869 1.00 0.00 H new ATOM 0 HG CYS A 72 16.505 -3.431 -7.466 1.00 0.00 H new ATOM 1128 N GLN A 73 16.569 -6.777 -7.837 1.00 0.00 N ATOM 1129 CA GLN A 73 15.528 -7.734 -7.485 1.00 0.00 C ATOM 1130 C GLN A 73 14.837 -7.333 -6.186 1.00 0.00 C ATOM 1131 O GLN A 73 14.477 -8.186 -5.375 1.00 0.00 O ATOM 1132 CB GLN A 73 16.121 -9.138 -7.348 1.00 0.00 C ATOM 1133 CG GLN A 73 17.026 -9.531 -8.505 1.00 0.00 C ATOM 1134 CD GLN A 73 16.442 -9.163 -9.854 1.00 0.00 C ATOM 1135 OE1 GLN A 73 16.896 -8.047 -10.412 1.00 0.00 O flip ATOM 1136 NE2 GLN A 73 15.592 -9.874 -10.390 1.00 0.00 N flip ATOM 0 H GLN A 73 16.425 -6.307 -8.731 1.00 0.00 H new ATOM 0 HA GLN A 73 14.787 -7.736 -8.284 1.00 0.00 H new ATOM 0 HB2 GLN A 73 16.688 -9.195 -6.419 1.00 0.00 H new ATOM 0 HB3 GLN A 73 15.309 -9.861 -7.271 1.00 0.00 H new ATOM 0 HG2 GLN A 73 17.993 -9.043 -8.387 1.00 0.00 H new ATOM 0 HG3 GLN A 73 17.205 -10.606 -8.472 1.00 0.00 H new ATOM 0 HE21 GLN A 73 15.271 -10.724 -9.926 1.00 0.00 H new ATOM 0 HE22 GLN A 73 15.208 -9.614 -11.299 1.00 0.00 H new ATOM 1145 N GLU A 74 14.655 -6.030 -5.996 1.00 0.00 N ATOM 1146 CA GLU A 74 14.008 -5.517 -4.794 1.00 0.00 C ATOM 1147 C GLU A 74 12.579 -6.041 -4.679 1.00 0.00 C ATOM 1148 O GLU A 74 12.134 -6.849 -5.496 1.00 0.00 O ATOM 1149 CB GLU A 74 14.002 -3.987 -4.805 1.00 0.00 C ATOM 1150 CG GLU A 74 14.172 -3.368 -3.427 1.00 0.00 C ATOM 1151 CD GLU A 74 15.140 -4.143 -2.555 1.00 0.00 C ATOM 1152 OE1 GLU A 74 16.331 -4.230 -2.922 1.00 0.00 O ATOM 1153 OE2 GLU A 74 14.708 -4.664 -1.505 1.00 0.00 O ATOM 0 H GLU A 74 14.946 -5.311 -6.658 1.00 0.00 H new ATOM 0 HA GLU A 74 14.575 -5.865 -3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.803 -3.633 -5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.064 -3.639 -5.237 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.526 -2.343 -3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.202 -3.320 -2.932 1.00 0.00 H new ATOM 1160 N THR A 75 11.865 -5.577 -3.659 1.00 0.00 N ATOM 1161 CA THR A 75 10.488 -5.999 -3.435 1.00 0.00 C ATOM 1162 C THR A 75 9.558 -4.798 -3.312 1.00 0.00 C ATOM 1163 O THR A 75 9.783 -3.907 -2.493 1.00 0.00 O ATOM 1164 CB THR A 75 10.364 -6.862 -2.165 1.00 0.00 C ATOM 1165 OG1 THR A 75 11.063 -6.241 -1.081 1.00 0.00 O ATOM 1166 CG2 THR A 75 10.923 -8.257 -2.402 1.00 0.00 C ATOM 0 H THR A 75 12.218 -4.908 -2.974 1.00 0.00 H new ATOM 0 HA THR A 75 10.196 -6.594 -4.300 1.00 0.00 H new ATOM 0 HB THR A 75 9.307 -6.949 -1.913 1.00 0.00 H new ATOM 0 HG1 THR A 75 10.837 -5.288 -1.049 1.00 0.00 H new ATOM 0 HG21 THR A 75 10.825 -8.848 -1.491 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.370 -8.738 -3.209 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.976 -8.185 -2.676 1.00 0.00 H new ATOM 1174 N PHE A 76 8.511 -4.780 -4.130 1.00 0.00 N ATOM 1175 CA PHE A 76 7.545 -3.687 -4.113 1.00 0.00 C ATOM 1176 C PHE A 76 6.118 -4.224 -4.065 1.00 0.00 C ATOM 1177 O PHE A 76 5.659 -4.882 -4.999 1.00 0.00 O ATOM 1178 CB PHE A 76 7.728 -2.798 -5.345 1.00 0.00 C ATOM 1179 CG PHE A 76 9.165 -2.493 -5.656 1.00 0.00 C ATOM 1180 CD1 PHE A 76 9.931 -3.379 -6.396 1.00 0.00 C ATOM 1181 CD2 PHE A 76 9.750 -1.319 -5.208 1.00 0.00 C ATOM 1182 CE1 PHE A 76 11.254 -3.100 -6.685 1.00 0.00 C ATOM 1183 CE2 PHE A 76 11.072 -1.035 -5.494 1.00 0.00 C ATOM 1184 CZ PHE A 76 11.825 -1.927 -6.232 1.00 0.00 C ATOM 0 H PHE A 76 8.309 -5.510 -4.813 1.00 0.00 H new ATOM 0 HA PHE A 76 7.721 -3.093 -3.216 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.274 -3.287 -6.207 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.191 -1.862 -5.191 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.490 -4.298 -6.751 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.166 -0.619 -4.629 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.840 -3.798 -7.264 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.516 -0.116 -5.141 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.859 -1.708 -6.455 1.00 0.00 H new ATOM 1194 N ARG A 77 5.421 -3.937 -2.971 1.00 0.00 N ATOM 1195 CA ARG A 77 4.046 -4.391 -2.800 1.00 0.00 C ATOM 1196 C ARG A 77 3.212 -4.079 -4.039 1.00 0.00 C ATOM 1197 O ARG A 77 2.319 -4.843 -4.407 1.00 0.00 O ATOM 1198 CB ARG A 77 3.418 -3.733 -1.570 1.00 0.00 C ATOM 1199 CG ARG A 77 3.391 -2.215 -1.639 1.00 0.00 C ATOM 1200 CD ARG A 77 4.660 -1.608 -1.060 1.00 0.00 C ATOM 1201 NE ARG A 77 4.448 -0.242 -0.590 1.00 0.00 N ATOM 1202 CZ ARG A 77 5.420 0.657 -0.483 1.00 0.00 C ATOM 1203 NH1 ARG A 77 6.664 0.337 -0.813 1.00 0.00 N ATOM 1204 NH2 ARG A 77 5.148 1.881 -0.047 1.00 0.00 N ATOM 0 H ARG A 77 5.786 -3.392 -2.190 1.00 0.00 H new ATOM 0 HA ARG A 77 4.062 -5.471 -2.657 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.399 -4.101 -1.452 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.972 -4.038 -0.682 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.275 -1.899 -2.676 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.525 -1.840 -1.093 1.00 0.00 H new ATOM 0 HD2 ARG A 77 5.013 -2.225 -0.234 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.443 -1.613 -1.818 1.00 0.00 H new ATOM 0 HE ARG A 77 3.502 0.037 -0.330 1.00 0.00 H new ATOM 0 HH11 ARG A 77 6.877 -0.602 -1.150 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.408 1.030 -0.730 1.00 0.00 H new ATOM 0 HH21 ARG A 77 4.192 2.132 0.206 1.00 0.00 H new ATOM 0 HH22 ARG A 77 5.895 2.571 0.035 1.00 0.00 H new ATOM 1218 N ARG A 78 3.509 -2.951 -4.677 1.00 0.00 N ATOM 1219 CA ARG A 78 2.785 -2.537 -5.873 1.00 0.00 C ATOM 1220 C ARG A 78 3.745 -2.310 -7.037 1.00 0.00 C ATOM 1221 O ARG A 78 4.964 -2.323 -6.861 1.00 0.00 O ATOM 1222 CB ARG A 78 1.990 -1.260 -5.597 1.00 0.00 C ATOM 1223 CG ARG A 78 1.005 -1.392 -4.447 1.00 0.00 C ATOM 1224 CD ARG A 78 0.360 -0.058 -4.109 1.00 0.00 C ATOM 1225 NE ARG A 78 -0.801 0.218 -4.951 1.00 0.00 N ATOM 1226 CZ ARG A 78 -1.838 0.949 -4.558 1.00 0.00 C ATOM 1227 NH1 ARG A 78 -1.858 1.476 -3.341 1.00 0.00 N ATOM 1228 NH2 ARG A 78 -2.857 1.155 -5.382 1.00 0.00 N ATOM 0 H ARG A 78 4.245 -2.308 -4.386 1.00 0.00 H new ATOM 0 HA ARG A 78 2.094 -3.335 -6.144 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.685 -0.450 -5.377 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.447 -0.978 -6.499 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.232 -2.115 -4.710 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.520 -1.781 -3.569 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.057 -0.057 -3.062 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.093 0.740 -4.229 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.816 -0.172 -5.893 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.076 1.320 -2.705 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.655 2.037 -3.041 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.845 0.752 -6.319 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.653 1.717 -5.079 1.00 0.00 H new ATOM 1242 N ARG A 79 3.187 -2.102 -8.225 1.00 0.00 N ATOM 1243 CA ARG A 79 3.993 -1.874 -9.418 1.00 0.00 C ATOM 1244 C ARG A 79 4.550 -0.453 -9.434 1.00 0.00 C ATOM 1245 O ARG A 79 5.764 -0.252 -9.440 1.00 0.00 O ATOM 1246 CB ARG A 79 3.160 -2.121 -10.677 1.00 0.00 C ATOM 1247 CG ARG A 79 3.903 -1.818 -11.968 1.00 0.00 C ATOM 1248 CD ARG A 79 4.956 -2.875 -12.266 1.00 0.00 C ATOM 1249 NE ARG A 79 5.593 -2.662 -13.563 1.00 0.00 N ATOM 1250 CZ ARG A 79 5.106 -3.131 -14.707 1.00 0.00 C ATOM 1251 NH1 ARG A 79 3.982 -3.834 -14.714 1.00 0.00 N ATOM 1252 NH2 ARG A 79 5.743 -2.896 -15.846 1.00 0.00 N ATOM 0 H ARG A 79 2.180 -2.087 -8.387 1.00 0.00 H new ATOM 0 HA ARG A 79 4.829 -2.573 -9.401 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.836 -3.162 -10.690 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.260 -1.508 -10.633 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.194 -1.767 -12.794 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.378 -0.840 -11.895 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.714 -2.862 -11.483 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.494 -3.862 -12.246 1.00 0.00 H new ATOM 0 HE ARG A 79 6.459 -2.124 -13.592 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.489 -4.016 -13.840 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.610 -4.193 -15.594 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.608 -2.355 -15.845 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.368 -3.256 -16.724 1.00 0.00 H new ATOM 1266 N MET A 80 3.654 0.528 -9.443 1.00 0.00 N ATOM 1267 CA MET A 80 4.056 1.930 -9.458 1.00 0.00 C ATOM 1268 C MET A 80 5.310 2.145 -8.616 1.00 0.00 C ATOM 1269 O MET A 80 6.265 2.781 -9.060 1.00 0.00 O ATOM 1270 CB MET A 80 2.921 2.814 -8.938 1.00 0.00 C ATOM 1271 CG MET A 80 3.300 4.281 -8.817 1.00 0.00 C ATOM 1272 SD MET A 80 3.019 5.199 -10.343 1.00 0.00 S ATOM 1273 CE MET A 80 4.614 5.029 -11.139 1.00 0.00 C ATOM 0 H MET A 80 2.645 0.378 -9.440 1.00 0.00 H new ATOM 0 HA MET A 80 4.279 2.207 -10.488 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.065 2.722 -9.606 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.604 2.447 -7.962 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.723 4.736 -8.012 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.351 4.359 -8.539 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.925 5.994 -11.540 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.349 4.684 -10.411 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.540 4.305 -11.951 1.00 0.00 H new ATOM 1283 N GLU A 81 5.298 1.611 -7.398 1.00 0.00 N ATOM 1284 CA GLU A 81 6.435 1.746 -6.495 1.00 0.00 C ATOM 1285 C GLU A 81 7.739 1.393 -7.204 1.00 0.00 C ATOM 1286 O GLU A 81 8.703 2.160 -7.173 1.00 0.00 O ATOM 1287 CB GLU A 81 6.250 0.850 -5.269 1.00 0.00 C ATOM 1288 CG GLU A 81 5.034 1.208 -4.430 1.00 0.00 C ATOM 1289 CD GLU A 81 5.116 2.609 -3.853 1.00 0.00 C ATOM 1290 OE1 GLU A 81 5.878 2.808 -2.884 1.00 0.00 O ATOM 1291 OE2 GLU A 81 4.419 3.505 -4.373 1.00 0.00 O ATOM 0 H GLU A 81 4.515 1.082 -7.015 1.00 0.00 H new ATOM 0 HA GLU A 81 6.488 2.786 -6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.162 -0.186 -5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.142 0.913 -4.646 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.137 1.123 -5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.934 0.489 -3.617 1.00 0.00 H new ATOM 1298 N LEU A 82 7.761 0.229 -7.843 1.00 0.00 N ATOM 1299 CA LEU A 82 8.947 -0.227 -8.561 1.00 0.00 C ATOM 1300 C LEU A 82 9.414 0.823 -9.564 1.00 0.00 C ATOM 1301 O LEU A 82 10.612 1.058 -9.718 1.00 0.00 O ATOM 1302 CB LEU A 82 8.655 -1.544 -9.282 1.00 0.00 C ATOM 1303 CG LEU A 82 9.720 -2.016 -10.273 1.00 0.00 C ATOM 1304 CD1 LEU A 82 11.048 -2.235 -9.566 1.00 0.00 C ATOM 1305 CD2 LEU A 82 9.269 -3.291 -10.972 1.00 0.00 C ATOM 0 H LEU A 82 6.972 -0.416 -7.879 1.00 0.00 H new ATOM 0 HA LEU A 82 9.743 -0.387 -7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.514 -2.322 -8.532 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.710 -1.441 -9.816 1.00 0.00 H new ATOM 0 HG LEU A 82 9.857 -1.240 -11.027 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.793 -2.571 -10.287 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.377 -1.300 -9.112 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.927 -2.992 -8.791 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.039 -3.613 -11.674 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.103 -4.073 -10.231 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.342 -3.101 -11.513 1.00 0.00 H new ATOM 1317 N ARG A 83 8.459 1.453 -10.241 1.00 0.00 N ATOM 1318 CA ARG A 83 8.773 2.478 -11.228 1.00 0.00 C ATOM 1319 C ARG A 83 9.519 3.643 -10.584 1.00 0.00 C ATOM 1320 O ARG A 83 10.500 4.146 -11.134 1.00 0.00 O ATOM 1321 CB ARG A 83 7.492 2.985 -11.893 1.00 0.00 C ATOM 1322 CG ARG A 83 6.633 1.879 -12.484 1.00 0.00 C ATOM 1323 CD ARG A 83 7.270 1.285 -13.731 1.00 0.00 C ATOM 1324 NE ARG A 83 6.858 1.988 -14.943 1.00 0.00 N ATOM 1325 CZ ARG A 83 6.948 1.466 -16.161 1.00 0.00 C ATOM 1326 NH1 ARG A 83 7.432 0.243 -16.328 1.00 0.00 N ATOM 1327 NH2 ARG A 83 6.553 2.168 -17.216 1.00 0.00 N ATOM 0 H ARG A 83 7.462 1.271 -10.124 1.00 0.00 H new ATOM 0 HA ARG A 83 9.416 2.031 -11.986 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.905 3.536 -11.158 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.757 3.689 -12.682 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.485 1.095 -11.741 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.648 2.274 -12.731 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.355 1.327 -13.639 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.997 0.233 -13.812 1.00 0.00 H new ATOM 0 HE ARG A 83 6.481 2.931 -14.849 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.736 -0.300 -15.520 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.500 -0.155 -17.265 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.180 3.109 -17.092 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.623 1.766 -18.151 1.00 0.00 H new ATOM 1341 N LEU A 84 9.048 4.067 -9.416 1.00 0.00 N ATOM 1342 CA LEU A 84 9.670 5.173 -8.697 1.00 0.00 C ATOM 1343 C LEU A 84 11.013 4.752 -8.107 1.00 0.00 C ATOM 1344 O LEU A 84 11.799 5.591 -7.665 1.00 0.00 O ATOM 1345 CB LEU A 84 8.745 5.668 -7.584 1.00 0.00 C ATOM 1346 CG LEU A 84 7.252 5.695 -7.915 1.00 0.00 C ATOM 1347 CD1 LEU A 84 6.453 6.224 -6.734 1.00 0.00 C ATOM 1348 CD2 LEU A 84 6.996 6.538 -9.156 1.00 0.00 C ATOM 0 H LEU A 84 8.238 3.662 -8.947 1.00 0.00 H new ATOM 0 HA LEU A 84 9.842 5.983 -9.405 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.891 5.035 -6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.053 6.675 -7.304 1.00 0.00 H new ATOM 0 HG LEU A 84 6.926 4.675 -8.120 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.393 6.236 -6.988 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.612 5.580 -5.869 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.781 7.236 -6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.929 6.546 -9.377 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.338 7.558 -8.980 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.538 6.115 -10.002 1.00 0.00 H new ATOM 1360 N HIS A 85 11.270 3.448 -8.106 1.00 0.00 N ATOM 1361 CA HIS A 85 12.520 2.916 -7.573 1.00 0.00 C ATOM 1362 C HIS A 85 13.564 2.776 -8.676 1.00 0.00 C ATOM 1363 O HIS A 85 14.730 3.124 -8.488 1.00 0.00 O ATOM 1364 CB HIS A 85 12.279 1.561 -6.907 1.00 0.00 C ATOM 1365 CG HIS A 85 13.530 0.765 -6.699 1.00 0.00 C ATOM 1366 ND1 HIS A 85 14.257 0.799 -5.528 1.00 0.00 N ATOM 1367 CD2 HIS A 85 14.182 -0.091 -7.520 1.00 0.00 C ATOM 1368 CE1 HIS A 85 15.303 0.000 -5.638 1.00 0.00 C ATOM 1369 NE2 HIS A 85 15.281 -0.553 -6.838 1.00 0.00 N ATOM 0 H HIS A 85 10.630 2.741 -8.468 1.00 0.00 H new ATOM 0 HA HIS A 85 12.896 3.616 -6.828 1.00 0.00 H new ATOM 0 HB2 HIS A 85 11.795 1.720 -5.943 1.00 0.00 H new ATOM 0 HB3 HIS A 85 11.588 0.982 -7.519 1.00 0.00 H new ATOM 0 HD2 HIS A 85 13.892 -0.361 -8.525 1.00 0.00 H new ATOM 0 HE1 HIS A 85 16.049 -0.172 -4.877 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.968 -1.215 -7.199 1.00 0.00 H new ATOM 1377 N MET A 86 13.139 2.263 -9.826 1.00 0.00 N ATOM 1378 CA MET A 86 14.038 2.077 -10.959 1.00 0.00 C ATOM 1379 C MET A 86 14.856 3.338 -11.217 1.00 0.00 C ATOM 1380 O MET A 86 16.009 3.267 -11.641 1.00 0.00 O ATOM 1381 CB MET A 86 13.243 1.705 -12.212 1.00 0.00 C ATOM 1382 CG MET A 86 12.465 0.407 -12.076 1.00 0.00 C ATOM 1383 SD MET A 86 13.349 -1.008 -12.759 1.00 0.00 S ATOM 1384 CE MET A 86 14.875 -0.937 -11.824 1.00 0.00 C ATOM 0 H MET A 86 12.178 1.969 -9.998 1.00 0.00 H new ATOM 0 HA MET A 86 14.723 1.264 -10.718 1.00 0.00 H new ATOM 0 HB2 MET A 86 12.549 2.512 -12.444 1.00 0.00 H new ATOM 0 HB3 MET A 86 13.928 1.621 -13.055 1.00 0.00 H new ATOM 0 HG2 MET A 86 12.253 0.224 -11.023 1.00 0.00 H new ATOM 0 HG3 MET A 86 11.505 0.509 -12.582 1.00 0.00 H new ATOM 0 HE1 MET A 86 15.385 -1.898 -11.887 1.00 0.00 H new ATOM 0 HE2 MET A 86 15.517 -0.158 -12.234 1.00 0.00 H new ATOM 0 HE3 MET A 86 14.653 -0.712 -10.781 1.00 0.00 H new ATOM 1394 N VAL A 87 14.251 4.494 -10.958 1.00 0.00 N ATOM 1395 CA VAL A 87 14.924 5.771 -11.161 1.00 0.00 C ATOM 1396 C VAL A 87 16.299 5.779 -10.503 1.00 0.00 C ATOM 1397 O VAL A 87 17.235 6.402 -11.004 1.00 0.00 O ATOM 1398 CB VAL A 87 14.092 6.939 -10.600 1.00 0.00 C ATOM 1399 CG1 VAL A 87 12.640 6.820 -11.037 1.00 0.00 C ATOM 1400 CG2 VAL A 87 14.198 6.988 -9.083 1.00 0.00 C ATOM 0 H VAL A 87 13.296 4.571 -10.607 1.00 0.00 H new ATOM 0 HA VAL A 87 15.039 5.900 -12.237 1.00 0.00 H new ATOM 0 HB VAL A 87 14.491 7.871 -11.000 1.00 0.00 H new ATOM 0 HG11 VAL A 87 12.068 7.654 -10.631 1.00 0.00 H new ATOM 0 HG12 VAL A 87 12.585 6.838 -12.125 1.00 0.00 H new ATOM 0 HG13 VAL A 87 12.225 5.882 -10.668 1.00 0.00 H new ATOM 0 HG21 VAL A 87 13.604 7.819 -8.703 1.00 0.00 H new ATOM 0 HG22 VAL A 87 13.826 6.054 -8.662 1.00 0.00 H new ATOM 0 HG23 VAL A 87 15.240 7.126 -8.795 1.00 0.00 H new ATOM 1410 N SER A 88 16.414 5.081 -9.377 1.00 0.00 N ATOM 1411 CA SER A 88 17.675 5.010 -8.648 1.00 0.00 C ATOM 1412 C SER A 88 18.733 4.273 -9.463 1.00 0.00 C ATOM 1413 O SER A 88 19.931 4.517 -9.312 1.00 0.00 O ATOM 1414 CB SER A 88 17.472 4.309 -7.303 1.00 0.00 C ATOM 1415 OG SER A 88 17.221 2.926 -7.482 1.00 0.00 O ATOM 0 H SER A 88 15.650 4.557 -8.950 1.00 0.00 H new ATOM 0 HA SER A 88 18.022 6.028 -8.471 1.00 0.00 H new ATOM 0 HB2 SER A 88 18.357 4.444 -6.682 1.00 0.00 H new ATOM 0 HB3 SER A 88 16.638 4.768 -6.772 1.00 0.00 H new ATOM 0 HG SER A 88 16.405 2.807 -8.011 1.00 0.00 H new ATOM 1421 N HIS A 89 18.283 3.370 -10.328 1.00 0.00 N ATOM 1422 CA HIS A 89 19.190 2.597 -11.169 1.00 0.00 C ATOM 1423 C HIS A 89 19.555 3.373 -12.431 1.00 0.00 C ATOM 1424 O HIS A 89 20.732 3.583 -12.726 1.00 0.00 O ATOM 1425 CB HIS A 89 18.555 1.258 -11.545 1.00 0.00 C ATOM 1426 CG HIS A 89 18.533 0.269 -10.420 1.00 0.00 C ATOM 1427 ND1 HIS A 89 19.667 -0.119 -9.738 1.00 0.00 N ATOM 1428 CD2 HIS A 89 17.506 -0.411 -9.859 1.00 0.00 C ATOM 1429 CE1 HIS A 89 19.338 -0.997 -8.807 1.00 0.00 C ATOM 1430 NE2 HIS A 89 18.033 -1.190 -8.859 1.00 0.00 N ATOM 0 H HIS A 89 17.295 3.155 -10.465 1.00 0.00 H new ATOM 0 HA HIS A 89 20.102 2.411 -10.602 1.00 0.00 H new ATOM 0 HB2 HIS A 89 17.534 1.432 -11.885 1.00 0.00 H new ATOM 0 HB3 HIS A 89 19.102 0.829 -12.385 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.466 -0.352 -10.145 1.00 0.00 H new ATOM 0 HE1 HIS A 89 20.021 -1.475 -8.120 1.00 0.00 H new ATOM 0 HE2 HIS A 89 17.502 -1.817 -8.254 1.00 0.00 H new ATOM 1438 N THR A 90 18.537 3.796 -13.175 1.00 0.00 N ATOM 1439 CA THR A 90 18.750 4.546 -14.406 1.00 0.00 C ATOM 1440 C THR A 90 19.385 5.902 -14.121 1.00 0.00 C ATOM 1441 O THR A 90 20.296 6.333 -14.827 1.00 0.00 O ATOM 1442 CB THR A 90 17.429 4.761 -15.169 1.00 0.00 C ATOM 1443 OG1 THR A 90 17.665 5.538 -16.348 1.00 0.00 O ATOM 1444 CG2 THR A 90 16.405 5.462 -14.290 1.00 0.00 C ATOM 0 H THR A 90 17.557 3.631 -12.946 1.00 0.00 H new ATOM 0 HA THR A 90 19.426 3.954 -15.023 1.00 0.00 H new ATOM 0 HB THR A 90 17.035 3.785 -15.451 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.821 5.669 -16.828 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.481 5.603 -14.850 1.00 0.00 H new ATOM 0 HG22 THR A 90 16.206 4.854 -13.408 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.794 6.432 -13.981 1.00 0.00 H new ATOM 1452 N GLY A 91 18.899 6.571 -13.080 1.00 0.00 N ATOM 1453 CA GLY A 91 19.431 7.872 -12.719 1.00 0.00 C ATOM 1454 C GLY A 91 18.342 8.885 -12.431 1.00 0.00 C ATOM 1455 O GLY A 91 18.410 9.615 -11.442 1.00 0.00 O ATOM 0 H GLY A 91 18.146 6.235 -12.480 1.00 0.00 H new ATOM 0 HA2 GLY A 91 20.068 7.769 -11.841 1.00 0.00 H new ATOM 0 HA3 GLY A 91 20.061 8.241 -13.529 1.00 0.00 H new ATOM 1505 N TYR A 95 10.077 11.689 -17.791 1.00 0.00 N ATOM 1506 CA TYR A 95 9.127 12.795 -17.786 1.00 0.00 C ATOM 1507 C TYR A 95 9.281 13.639 -16.525 1.00 0.00 C ATOM 1508 O TYR A 95 9.723 13.150 -15.485 1.00 0.00 O ATOM 1509 CB TYR A 95 7.695 12.265 -17.887 1.00 0.00 C ATOM 1510 CG TYR A 95 7.403 11.553 -19.188 1.00 0.00 C ATOM 1511 CD1 TYR A 95 6.983 12.257 -20.309 1.00 0.00 C ATOM 1512 CD2 TYR A 95 7.547 10.175 -19.296 1.00 0.00 C ATOM 1513 CE1 TYR A 95 6.714 11.611 -21.500 1.00 0.00 C ATOM 1514 CE2 TYR A 95 7.282 9.520 -20.483 1.00 0.00 C ATOM 1515 CZ TYR A 95 6.866 10.242 -21.582 1.00 0.00 C ATOM 1516 OH TYR A 95 6.599 9.594 -22.766 1.00 0.00 O ATOM 0 HA TYR A 95 9.336 13.425 -18.651 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.511 11.581 -17.059 1.00 0.00 H new ATOM 0 HB3 TYR A 95 7.000 13.097 -17.774 1.00 0.00 H new ATOM 0 HD1 TYR A 95 6.865 13.329 -20.249 1.00 0.00 H new ATOM 0 HD2 TYR A 95 7.872 9.606 -18.437 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.387 12.174 -22.362 1.00 0.00 H new ATOM 0 HE2 TYR A 95 7.400 8.449 -20.550 1.00 0.00 H new ATOM 0 HH TYR A 95 6.757 8.633 -22.656 1.00 0.00 H new ATOM 1526 N LYS A 96 8.912 14.912 -16.624 1.00 0.00 N ATOM 1527 CA LYS A 96 9.006 15.827 -15.493 1.00 0.00 C ATOM 1528 C LYS A 96 8.032 16.990 -15.652 1.00 0.00 C ATOM 1529 O LYS A 96 7.815 17.485 -16.758 1.00 0.00 O ATOM 1530 CB LYS A 96 10.435 16.359 -15.359 1.00 0.00 C ATOM 1531 CG LYS A 96 11.286 15.575 -14.374 1.00 0.00 C ATOM 1532 CD LYS A 96 12.764 15.680 -14.708 1.00 0.00 C ATOM 1533 CE LYS A 96 13.127 14.819 -15.909 1.00 0.00 C ATOM 1534 NZ LYS A 96 14.460 15.178 -16.467 1.00 0.00 N ATOM 0 H LYS A 96 8.545 15.333 -17.477 1.00 0.00 H new ATOM 0 HA LYS A 96 8.743 15.277 -14.589 1.00 0.00 H new ATOM 0 HB2 LYS A 96 10.915 16.338 -16.338 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.398 17.402 -15.044 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.113 15.948 -13.365 1.00 0.00 H new ATOM 0 HG3 LYS A 96 10.983 14.528 -14.383 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.019 16.720 -14.914 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.356 15.372 -13.846 1.00 0.00 H new ATOM 0 HE2 LYS A 96 13.127 13.769 -15.616 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.367 14.935 -16.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.670 14.569 -17.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.453 16.173 -16.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 15.189 15.043 -15.738 1.00 0.00 H new ATOM 1548 N CYS A 97 7.449 17.424 -14.539 1.00 0.00 N ATOM 1549 CA CYS A 97 6.499 18.529 -14.554 1.00 0.00 C ATOM 1550 C CYS A 97 7.226 19.869 -14.632 1.00 0.00 C ATOM 1551 O CYS A 97 8.448 19.918 -14.766 1.00 0.00 O ATOM 1552 CB CYS A 97 5.616 18.487 -13.305 1.00 0.00 C ATOM 1553 SG CYS A 97 3.903 19.038 -13.587 1.00 0.00 S ATOM 0 H CYS A 97 7.618 17.026 -13.615 1.00 0.00 H new ATOM 0 HA CYS A 97 5.871 18.424 -15.438 1.00 0.00 H new ATOM 0 HB2 CYS A 97 5.600 17.468 -12.919 1.00 0.00 H new ATOM 0 HB3 CYS A 97 6.065 19.113 -12.534 1.00 0.00 H new ATOM 0 HG CYS A 97 3.616 18.934 -14.851 1.00 0.00 H new ATOM 1558 N SER A 98 6.463 20.955 -14.547 1.00 0.00 N ATOM 1559 CA SER A 98 7.033 22.296 -14.611 1.00 0.00 C ATOM 1560 C SER A 98 6.642 23.111 -13.382 1.00 0.00 C ATOM 1561 O SER A 98 7.477 23.790 -12.783 1.00 0.00 O ATOM 1562 CB SER A 98 6.567 23.011 -15.881 1.00 0.00 C ATOM 1563 OG SER A 98 7.443 22.749 -16.964 1.00 0.00 O ATOM 0 H SER A 98 5.450 20.932 -14.434 1.00 0.00 H new ATOM 0 HA SER A 98 8.119 22.202 -14.633 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.559 22.684 -16.137 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.518 24.085 -15.700 1.00 0.00 H new ATOM 0 HG SER A 98 7.123 23.216 -17.764 1.00 0.00 H new ATOM 1569 N SER A 99 5.367 23.040 -13.013 1.00 0.00 N ATOM 1570 CA SER A 99 4.864 23.774 -11.858 1.00 0.00 C ATOM 1571 C SER A 99 5.396 23.176 -10.560 1.00 0.00 C ATOM 1572 O SER A 99 5.927 23.887 -9.707 1.00 0.00 O ATOM 1573 CB SER A 99 3.334 23.764 -11.849 1.00 0.00 C ATOM 1574 OG SER A 99 2.820 24.936 -11.240 1.00 0.00 O ATOM 0 H SER A 99 4.664 22.482 -13.497 1.00 0.00 H new ATOM 0 HA SER A 99 5.213 24.804 -11.932 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.962 23.688 -12.871 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.976 22.885 -11.313 1.00 0.00 H new ATOM 0 HG SER A 99 1.840 24.906 -11.248 1.00 0.00 H new ATOM 1580 N CYS A 100 5.248 21.863 -10.417 1.00 0.00 N ATOM 1581 CA CYS A 100 5.713 21.166 -9.223 1.00 0.00 C ATOM 1582 C CYS A 100 7.031 20.447 -9.492 1.00 0.00 C ATOM 1583 O CYS A 100 7.709 20.005 -8.564 1.00 0.00 O ATOM 1584 CB CYS A 100 4.659 20.163 -8.751 1.00 0.00 C ATOM 1585 SG CYS A 100 4.437 18.737 -9.863 1.00 0.00 S ATOM 0 H CYS A 100 4.810 21.260 -11.113 1.00 0.00 H new ATOM 0 HA CYS A 100 5.877 21.907 -8.440 1.00 0.00 H new ATOM 0 HB2 CYS A 100 4.937 19.799 -7.762 1.00 0.00 H new ATOM 0 HB3 CYS A 100 3.705 20.679 -8.644 1.00 0.00 H new ATOM 0 HG CYS A 100 4.274 19.158 -11.082 1.00 0.00 H new ATOM 1590 N SER A 101 7.388 20.334 -10.767 1.00 0.00 N ATOM 1591 CA SER A 101 8.624 19.665 -11.158 1.00 0.00 C ATOM 1592 C SER A 101 8.581 18.185 -10.790 1.00 0.00 C ATOM 1593 O SER A 101 9.608 17.583 -10.479 1.00 0.00 O ATOM 1594 CB SER A 101 9.825 20.335 -10.488 1.00 0.00 C ATOM 1595 OG SER A 101 10.024 21.645 -10.990 1.00 0.00 O ATOM 0 H SER A 101 6.840 20.697 -11.547 1.00 0.00 H new ATOM 0 HA SER A 101 8.727 19.749 -12.240 1.00 0.00 H new ATOM 0 HB2 SER A 101 9.668 20.375 -9.410 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.720 19.737 -10.658 1.00 0.00 H new ATOM 0 HG SER A 101 10.796 22.052 -10.545 1.00 0.00 H new ATOM 1601 N GLN A 102 7.385 17.607 -10.828 1.00 0.00 N ATOM 1602 CA GLN A 102 7.208 16.198 -10.498 1.00 0.00 C ATOM 1603 C GLN A 102 7.998 15.311 -11.453 1.00 0.00 C ATOM 1604 O GLN A 102 8.769 15.803 -12.277 1.00 0.00 O ATOM 1605 CB GLN A 102 5.725 15.824 -10.545 1.00 0.00 C ATOM 1606 CG GLN A 102 5.036 15.898 -9.192 1.00 0.00 C ATOM 1607 CD GLN A 102 5.088 14.584 -8.437 1.00 0.00 C ATOM 1608 OE1 GLN A 102 6.165 14.046 -8.178 1.00 0.00 O ATOM 1609 NE2 GLN A 102 3.921 14.059 -8.080 1.00 0.00 N ATOM 0 H GLN A 102 6.525 18.092 -11.084 1.00 0.00 H new ATOM 0 HA GLN A 102 7.585 16.038 -9.488 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.213 16.489 -11.241 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.626 14.813 -10.939 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.506 16.676 -8.591 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.995 16.190 -9.334 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.052 14.539 -8.315 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.894 13.176 -7.570 1.00 0.00 H new ATOM 1618 N GLN A 103 7.802 14.001 -11.338 1.00 0.00 N ATOM 1619 CA GLN A 103 8.498 13.046 -12.191 1.00 0.00 C ATOM 1620 C GLN A 103 7.589 11.876 -12.553 1.00 0.00 C ATOM 1621 O GLN A 103 6.802 11.410 -11.729 1.00 0.00 O ATOM 1622 CB GLN A 103 9.759 12.532 -11.495 1.00 0.00 C ATOM 1623 CG GLN A 103 10.725 13.635 -11.093 1.00 0.00 C ATOM 1624 CD GLN A 103 12.043 13.096 -10.574 1.00 0.00 C ATOM 1625 OE1 GLN A 103 12.394 13.295 -9.410 1.00 0.00 O ATOM 1626 NE2 GLN A 103 12.782 12.407 -11.436 1.00 0.00 N ATOM 0 H GLN A 103 7.167 13.577 -10.662 1.00 0.00 H new ATOM 0 HA GLN A 103 8.783 13.559 -13.110 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.470 11.972 -10.606 1.00 0.00 H new ATOM 0 HB3 GLN A 103 10.272 11.835 -12.158 1.00 0.00 H new ATOM 0 HG2 GLN A 103 10.913 14.279 -11.952 1.00 0.00 H new ATOM 0 HG3 GLN A 103 10.263 14.255 -10.325 1.00 0.00 H new ATOM 0 HE21 GLN A 103 12.453 12.266 -12.391 1.00 0.00 H new ATOM 0 HE22 GLN A 103 13.679 12.019 -11.143 1.00 0.00 H new ATOM 1635 N PHE A 104 7.703 11.405 -13.790 1.00 0.00 N ATOM 1636 CA PHE A 104 6.891 10.289 -14.261 1.00 0.00 C ATOM 1637 C PHE A 104 7.686 9.401 -15.213 1.00 0.00 C ATOM 1638 O PHE A 104 8.762 9.778 -15.678 1.00 0.00 O ATOM 1639 CB PHE A 104 5.632 10.807 -14.961 1.00 0.00 C ATOM 1640 CG PHE A 104 4.948 11.919 -14.218 1.00 0.00 C ATOM 1641 CD1 PHE A 104 5.556 13.156 -14.083 1.00 0.00 C ATOM 1642 CD2 PHE A 104 3.696 11.726 -13.656 1.00 0.00 C ATOM 1643 CE1 PHE A 104 4.929 14.181 -13.399 1.00 0.00 C ATOM 1644 CE2 PHE A 104 3.064 12.747 -12.971 1.00 0.00 C ATOM 1645 CZ PHE A 104 3.681 13.976 -12.844 1.00 0.00 C ATOM 0 H PHE A 104 8.350 11.779 -14.485 1.00 0.00 H new ATOM 0 HA PHE A 104 6.599 9.694 -13.396 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.898 11.157 -15.958 1.00 0.00 H new ATOM 0 HB3 PHE A 104 4.932 9.982 -15.089 1.00 0.00 H new ATOM 0 HD1 PHE A 104 6.531 13.322 -14.517 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.209 10.767 -13.754 1.00 0.00 H new ATOM 0 HE1 PHE A 104 5.414 15.141 -13.299 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.089 12.584 -12.536 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.188 14.776 -12.311 1.00 0.00 H new ATOM 1655 N MET A 105 7.149 8.219 -15.498 1.00 0.00 N ATOM 1656 CA MET A 105 7.809 7.276 -16.394 1.00 0.00 C ATOM 1657 C MET A 105 7.086 7.206 -17.736 1.00 0.00 C ATOM 1658 O MET A 105 7.679 6.841 -18.751 1.00 0.00 O ATOM 1659 CB MET A 105 7.863 5.886 -15.758 1.00 0.00 C ATOM 1660 CG MET A 105 9.072 5.675 -14.861 1.00 0.00 C ATOM 1661 SD MET A 105 10.627 5.713 -15.772 1.00 0.00 S ATOM 1662 CE MET A 105 11.759 6.242 -14.488 1.00 0.00 C ATOM 0 H MET A 105 6.259 7.892 -15.122 1.00 0.00 H new ATOM 0 HA MET A 105 8.826 7.628 -16.566 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.956 5.727 -15.175 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.871 5.134 -16.547 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.087 6.446 -14.091 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.978 4.717 -14.350 1.00 0.00 H new ATOM 0 HE1 MET A 105 12.763 6.330 -14.902 1.00 0.00 H new ATOM 0 HE2 MET A 105 11.441 7.209 -14.098 1.00 0.00 H new ATOM 0 HE3 MET A 105 11.762 5.509 -13.681 1.00 0.00 H new ATOM 1672 N GLN A 106 5.805 7.558 -17.732 1.00 0.00 N ATOM 1673 CA GLN A 106 5.002 7.534 -18.950 1.00 0.00 C ATOM 1674 C GLN A 106 4.342 8.887 -19.194 1.00 0.00 C ATOM 1675 O GLN A 106 4.103 9.651 -18.259 1.00 0.00 O ATOM 1676 CB GLN A 106 3.935 6.441 -18.861 1.00 0.00 C ATOM 1677 CG GLN A 106 4.449 5.136 -18.275 1.00 0.00 C ATOM 1678 CD GLN A 106 3.745 3.922 -18.848 1.00 0.00 C ATOM 1679 OE1 GLN A 106 3.510 3.838 -20.054 1.00 0.00 O ATOM 1680 NE2 GLN A 106 3.403 2.973 -17.985 1.00 0.00 N ATOM 0 H GLN A 106 5.300 7.863 -16.900 1.00 0.00 H new ATOM 0 HA GLN A 106 5.665 7.318 -19.788 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.107 6.802 -18.251 1.00 0.00 H new ATOM 0 HB3 GLN A 106 3.538 6.251 -19.858 1.00 0.00 H new ATOM 0 HG2 GLN A 106 5.519 5.054 -18.464 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.317 5.151 -17.193 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.617 3.084 -16.994 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.926 2.133 -18.313 1.00 0.00 H new ATOM 1689 N LYS A 107 4.050 9.178 -20.457 1.00 0.00 N ATOM 1690 CA LYS A 107 3.417 10.438 -20.826 1.00 0.00 C ATOM 1691 C LYS A 107 2.102 10.626 -20.076 1.00 0.00 C ATOM 1692 O LYS A 107 1.979 11.513 -19.231 1.00 0.00 O ATOM 1693 CB LYS A 107 3.166 10.484 -22.335 1.00 0.00 C ATOM 1694 CG LYS A 107 3.129 11.893 -22.902 1.00 0.00 C ATOM 1695 CD LYS A 107 3.375 11.896 -24.402 1.00 0.00 C ATOM 1696 CE LYS A 107 4.859 11.981 -24.723 1.00 0.00 C ATOM 1697 NZ LYS A 107 5.330 13.391 -24.804 1.00 0.00 N ATOM 0 H LYS A 107 4.242 8.557 -21.243 1.00 0.00 H new ATOM 0 HA LYS A 107 4.092 11.249 -20.551 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.947 9.917 -22.842 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.220 9.989 -22.553 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.161 12.346 -22.690 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.883 12.505 -22.407 1.00 0.00 H new ATOM 0 HD2 LYS A 107 2.958 10.990 -24.842 1.00 0.00 H new ATOM 0 HD3 LYS A 107 2.855 12.740 -24.855 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.427 11.452 -23.958 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.055 11.478 -25.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.346 13.405 -25.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 4.806 13.890 -25.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.167 13.864 -23.893 1.00 0.00 H new ATOM 1711 N LYS A 108 1.122 9.785 -20.388 1.00 0.00 N ATOM 1712 CA LYS A 108 -0.183 9.856 -19.742 1.00 0.00 C ATOM 1713 C LYS A 108 -0.036 10.086 -18.242 1.00 0.00 C ATOM 1714 O LYS A 108 -0.775 10.871 -17.648 1.00 0.00 O ATOM 1715 CB LYS A 108 -0.972 8.570 -19.997 1.00 0.00 C ATOM 1716 CG LYS A 108 -0.284 7.321 -19.476 1.00 0.00 C ATOM 1717 CD LYS A 108 -1.145 6.085 -19.675 1.00 0.00 C ATOM 1718 CE LYS A 108 -0.923 5.466 -21.047 1.00 0.00 C ATOM 1719 NZ LYS A 108 -1.555 4.122 -21.158 1.00 0.00 N ATOM 0 H LYS A 108 1.207 9.045 -21.085 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.726 10.699 -20.169 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -1.953 8.657 -19.529 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.139 8.463 -21.069 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.668 7.188 -19.989 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.061 7.443 -18.416 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.915 5.352 -18.902 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.196 6.350 -19.560 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.333 6.124 -21.813 1.00 0.00 H new ATOM 0 HE3 LYS A 108 0.147 5.381 -21.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.381 3.734 -22.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.146 3.486 -20.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.580 4.206 -21.001 1.00 0.00 H new ATOM 1733 N ASP A 109 0.924 9.397 -17.634 1.00 0.00 N ATOM 1734 CA ASP A 109 1.170 9.528 -16.203 1.00 0.00 C ATOM 1735 C ASP A 109 1.393 10.988 -15.821 1.00 0.00 C ATOM 1736 O ASP A 109 0.945 11.440 -14.766 1.00 0.00 O ATOM 1737 CB ASP A 109 2.383 8.690 -15.793 1.00 0.00 C ATOM 1738 CG ASP A 109 2.297 8.211 -14.358 1.00 0.00 C ATOM 1739 OD1 ASP A 109 1.233 7.683 -13.970 1.00 0.00 O ATOM 1740 OD2 ASP A 109 3.294 8.362 -13.621 1.00 0.00 O ATOM 0 H ASP A 109 1.544 8.742 -18.110 1.00 0.00 H new ATOM 0 HA ASP A 109 0.290 9.163 -15.674 1.00 0.00 H new ATOM 0 HB2 ASP A 109 2.467 7.829 -16.456 1.00 0.00 H new ATOM 0 HB3 ASP A 109 3.290 9.281 -15.922 1.00 0.00 H new ATOM 1745 N LEU A 110 2.087 11.720 -16.684 1.00 0.00 N ATOM 1746 CA LEU A 110 2.370 13.130 -16.437 1.00 0.00 C ATOM 1747 C LEU A 110 1.231 14.011 -16.941 1.00 0.00 C ATOM 1748 O LEU A 110 0.667 14.802 -16.187 1.00 0.00 O ATOM 1749 CB LEU A 110 3.681 13.533 -17.115 1.00 0.00 C ATOM 1750 CG LEU A 110 3.926 15.036 -17.262 1.00 0.00 C ATOM 1751 CD1 LEU A 110 4.054 15.691 -15.896 1.00 0.00 C ATOM 1752 CD2 LEU A 110 5.171 15.294 -18.098 1.00 0.00 C ATOM 0 H LEU A 110 2.464 11.361 -17.561 1.00 0.00 H new ATOM 0 HA LEU A 110 2.466 13.273 -15.361 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.507 13.104 -16.548 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.708 13.082 -18.107 1.00 0.00 H new ATOM 0 HG LEU A 110 3.071 15.476 -17.775 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.228 16.760 -16.020 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.135 15.536 -15.331 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.891 15.247 -15.357 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.330 16.368 -18.192 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.035 14.840 -17.613 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.041 14.858 -19.089 1.00 0.00 H new ATOM 1764 N GLN A 111 0.899 13.865 -18.220 1.00 0.00 N ATOM 1765 CA GLN A 111 -0.174 14.647 -18.823 1.00 0.00 C ATOM 1766 C GLN A 111 -1.420 14.631 -17.944 1.00 0.00 C ATOM 1767 O GLN A 111 -2.010 15.675 -17.668 1.00 0.00 O ATOM 1768 CB GLN A 111 -0.509 14.103 -20.213 1.00 0.00 C ATOM 1769 CG GLN A 111 0.666 14.129 -21.177 1.00 0.00 C ATOM 1770 CD GLN A 111 0.236 14.316 -22.618 1.00 0.00 C ATOM 1771 OE1 GLN A 111 -0.949 14.490 -22.907 1.00 0.00 O ATOM 1772 NE2 GLN A 111 1.198 14.282 -23.533 1.00 0.00 N ATOM 0 H GLN A 111 1.357 13.214 -18.858 1.00 0.00 H new ATOM 0 HA GLN A 111 0.169 15.677 -18.916 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -0.866 13.078 -20.116 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -1.327 14.687 -20.635 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.343 14.936 -20.897 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.225 13.198 -21.087 1.00 0.00 H new ATOM 0 HE21 GLN A 111 2.167 14.135 -23.249 1.00 0.00 H new ATOM 0 HE22 GLN A 111 0.968 14.403 -24.519 1.00 0.00 H new ATOM 1781 N SER A 112 -1.815 13.439 -17.507 1.00 0.00 N ATOM 1782 CA SER A 112 -2.994 13.287 -16.662 1.00 0.00 C ATOM 1783 C SER A 112 -2.797 13.992 -15.323 1.00 0.00 C ATOM 1784 O SER A 112 -3.717 14.620 -14.798 1.00 0.00 O ATOM 1785 CB SER A 112 -3.295 11.805 -16.432 1.00 0.00 C ATOM 1786 OG SER A 112 -4.677 11.595 -16.204 1.00 0.00 O ATOM 0 H SER A 112 -1.336 12.565 -17.724 1.00 0.00 H new ATOM 0 HA SER A 112 -3.839 13.747 -17.174 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.974 11.227 -17.299 1.00 0.00 H new ATOM 0 HB3 SER A 112 -2.723 11.443 -15.578 1.00 0.00 H new ATOM 0 HG SER A 112 -4.844 10.640 -16.062 1.00 0.00 H new ATOM 1792 N HIS A 113 -1.590 13.883 -14.776 1.00 0.00 N ATOM 1793 CA HIS A 113 -1.271 14.509 -13.498 1.00 0.00 C ATOM 1794 C HIS A 113 -1.459 16.022 -13.573 1.00 0.00 C ATOM 1795 O HIS A 113 -1.959 16.641 -12.634 1.00 0.00 O ATOM 1796 CB HIS A 113 0.166 14.182 -13.090 1.00 0.00 C ATOM 1797 CG HIS A 113 0.823 15.264 -12.290 1.00 0.00 C ATOM 1798 ND1 HIS A 113 1.508 16.363 -12.682 1.00 0.00 N flip ATOM 1799 CD2 HIS A 113 0.819 15.287 -10.911 1.00 0.00 C flip ATOM 1800 CE1 HIS A 113 1.901 17.025 -11.545 1.00 0.00 C flip ATOM 1801 NE2 HIS A 113 1.472 16.356 -10.490 1.00 0.00 N flip ATOM 0 H HIS A 113 -0.818 13.367 -15.198 1.00 0.00 H new ATOM 0 HA HIS A 113 -1.953 14.112 -12.746 1.00 0.00 H new ATOM 0 HB2 HIS A 113 0.169 13.260 -12.509 1.00 0.00 H new ATOM 0 HB3 HIS A 113 0.756 13.996 -13.987 1.00 0.00 H new ATOM 0 HD2 HIS A 113 0.355 14.548 -10.275 1.00 0.00 H new ATOM 0 HE1 HIS A 113 2.469 17.943 -11.518 1.00 0.00 H new ATOM 0 HE2 HIS A 113 1.620 16.620 -9.516 1.00 0.00 H new ATOM 1809 N MET A 114 -1.055 16.609 -14.694 1.00 0.00 N ATOM 1810 CA MET A 114 -1.179 18.048 -14.890 1.00 0.00 C ATOM 1811 C MET A 114 -2.623 18.432 -15.201 1.00 0.00 C ATOM 1812 O MET A 114 -3.054 19.548 -14.910 1.00 0.00 O ATOM 1813 CB MET A 114 -0.262 18.512 -16.024 1.00 0.00 C ATOM 1814 CG MET A 114 1.203 18.177 -15.794 1.00 0.00 C ATOM 1815 SD MET A 114 2.311 19.180 -16.804 1.00 0.00 S ATOM 1816 CE MET A 114 2.117 20.783 -16.029 1.00 0.00 C ATOM 0 H MET A 114 -0.639 16.110 -15.481 1.00 0.00 H new ATOM 0 HA MET A 114 -0.880 18.542 -13.965 1.00 0.00 H new ATOM 0 HB2 MET A 114 -0.590 18.053 -16.957 1.00 0.00 H new ATOM 0 HB3 MET A 114 -0.365 19.590 -16.146 1.00 0.00 H new ATOM 0 HG2 MET A 114 1.444 18.324 -14.741 1.00 0.00 H new ATOM 0 HG3 MET A 114 1.370 17.123 -16.015 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.688 21.484 -16.745 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.455 20.693 -15.168 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.090 21.149 -15.702 1.00 0.00 H new ATOM 1826 N ILE A 115 -3.364 17.501 -15.792 1.00 0.00 N ATOM 1827 CA ILE A 115 -4.758 17.742 -16.140 1.00 0.00 C ATOM 1828 C ILE A 115 -5.665 17.578 -14.925 1.00 0.00 C ATOM 1829 O ILE A 115 -6.734 18.183 -14.848 1.00 0.00 O ATOM 1830 CB ILE A 115 -5.233 16.790 -17.253 1.00 0.00 C ATOM 1831 CG1 ILE A 115 -4.466 17.061 -18.549 1.00 0.00 C ATOM 1832 CG2 ILE A 115 -6.731 16.942 -17.477 1.00 0.00 C ATOM 1833 CD1 ILE A 115 -4.279 15.831 -19.409 1.00 0.00 C ATOM 0 H ILE A 115 -3.022 16.573 -16.040 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.820 18.769 -16.500 1.00 0.00 H new ATOM 0 HB ILE A 115 -5.033 15.764 -16.942 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -4.997 17.819 -19.124 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -3.488 17.475 -18.303 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.052 16.263 -18.267 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -7.263 16.704 -16.556 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -6.953 17.968 -17.769 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -3.728 16.098 -20.311 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -3.721 15.079 -18.852 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.254 15.429 -19.686 1.00 0.00 H new ATOM 1845 N LYS A 116 -5.229 16.756 -13.976 1.00 0.00 N ATOM 1846 CA LYS A 116 -5.999 16.514 -12.761 1.00 0.00 C ATOM 1847 C LYS A 116 -5.647 17.533 -11.682 1.00 0.00 C ATOM 1848 O LYS A 116 -6.518 18.244 -11.178 1.00 0.00 O ATOM 1849 CB LYS A 116 -5.740 15.097 -12.244 1.00 0.00 C ATOM 1850 CG LYS A 116 -6.654 14.049 -12.856 1.00 0.00 C ATOM 1851 CD LYS A 116 -6.077 13.492 -14.146 1.00 0.00 C ATOM 1852 CE LYS A 116 -7.034 12.511 -14.806 1.00 0.00 C ATOM 1853 NZ LYS A 116 -6.968 11.163 -14.175 1.00 0.00 N ATOM 0 H LYS A 116 -4.347 16.246 -14.025 1.00 0.00 H new ATOM 0 HA LYS A 116 -7.057 16.619 -13.003 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -4.704 14.828 -12.450 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -5.863 15.086 -11.161 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -6.807 13.238 -12.144 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -7.632 14.488 -13.053 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -5.862 14.310 -14.833 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -5.130 12.994 -13.937 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -8.052 12.895 -14.738 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -6.795 12.428 -15.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -7.634 10.523 -14.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -6.003 10.786 -14.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -7.221 11.238 -13.169 1.00 0.00 H new ATOM 1867 N LEU A 117 -4.368 17.600 -11.332 1.00 0.00 N ATOM 1868 CA LEU A 117 -3.901 18.533 -10.313 1.00 0.00 C ATOM 1869 C LEU A 117 -3.734 19.934 -10.894 1.00 0.00 C ATOM 1870 O LEU A 117 -4.309 20.899 -10.389 1.00 0.00 O ATOM 1871 CB LEU A 117 -2.575 18.053 -9.722 1.00 0.00 C ATOM 1872 CG LEU A 117 -2.472 16.555 -9.434 1.00 0.00 C ATOM 1873 CD1 LEU A 117 -1.283 16.265 -8.530 1.00 0.00 C ATOM 1874 CD2 LEU A 117 -3.760 16.043 -8.805 1.00 0.00 C ATOM 0 H LEU A 117 -3.635 17.019 -11.739 1.00 0.00 H new ATOM 0 HA LEU A 117 -4.650 18.574 -9.522 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -1.774 18.327 -10.409 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.397 18.594 -8.793 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.320 16.033 -10.379 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.226 15.194 -8.336 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -0.366 16.595 -9.018 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -1.404 16.798 -7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -3.669 14.975 -8.607 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.943 16.571 -7.869 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.592 16.215 -9.488 1.00 0.00 H new ATOM 1886 N HIS A 118 -2.945 20.038 -11.958 1.00 0.00 N ATOM 1887 CA HIS A 118 -2.705 21.320 -12.610 1.00 0.00 C ATOM 1888 C HIS A 118 -3.811 21.636 -13.613 1.00 0.00 C ATOM 1889 O HIS A 118 -3.588 22.342 -14.596 1.00 0.00 O ATOM 1890 CB HIS A 118 -1.349 21.312 -13.315 1.00 0.00 C ATOM 1891 CG HIS A 118 -0.191 21.128 -12.383 1.00 0.00 C ATOM 1892 ND1 HIS A 118 0.057 21.965 -11.316 1.00 0.00 N ATOM 1893 CD2 HIS A 118 0.789 20.195 -12.363 1.00 0.00 C ATOM 1894 CE1 HIS A 118 1.140 21.555 -10.680 1.00 0.00 C ATOM 1895 NE2 HIS A 118 1.603 20.482 -11.295 1.00 0.00 N ATOM 0 H HIS A 118 -2.461 19.250 -12.387 1.00 0.00 H new ATOM 0 HA HIS A 118 -2.703 22.094 -11.843 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -1.339 20.513 -14.056 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -1.224 22.250 -13.856 1.00 0.00 H new ATOM 0 HD2 HIS A 118 0.909 19.377 -13.058 1.00 0.00 H new ATOM 0 HE1 HIS A 118 1.573 22.018 -9.806 1.00 0.00 H new ATOM 0 HE2 HIS A 118 2.431 19.953 -11.021 1.00 0.00 H new