USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 776 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 79 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 84 GLN : amide:sc= -0.241 K(o=-0.24,f=-1.2!) USER MOD Set 2.1: A 40 CYS SG : rot 180:sc= -0.402 USER MOD Set 2.2: A 59 TYR OH : rot -35:sc= -0.573 USER MOD Set 3.1: A 35 CYS SG : rot 128:sc= -2.72 USER MOD Set 3.2: A 36 MET CE :methyl -163:sc= -0.452 (180deg=-1.14) USER MOD Single : A 11 THR OG1 : rot 38:sc= 0.0995 USER MOD Single : A 16 GLN : amide:sc= -4.16! K(o=-4.2!,f=-1.6) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0535 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.68! C(o=-2.7!,f=-16!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 159:sc= -2.47! (180deg=-3.2!) USER MOD Single : A 43 TYR OH : rot 33:sc= -1.22 USER MOD Single : A 46 HIS : no HD1:sc= -0.398 X(o=-0.4,f=-0.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -145:sc= -0.45 (180deg=-2.1!) USER MOD Single : A 51 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.36) USER MOD Single : A 53 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.0025) USER MOD Single : A 54 SER OG : rot -176:sc= -0.625 USER MOD Single : A 56 SER OG : rot -32:sc= 0.757 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 100:sc= -9.98! USER MOD Single : A 83 THR OG1 : rot 58:sc= -2.73! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.14) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0478 K(o=-0.048,f=-1) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 165:sc= 0.959 (180deg=0.339) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 11 5.190 7.026 3.632 1.00 0.00 N ATOM 121 CA THR A 11 3.853 6.961 3.067 1.00 0.00 C ATOM 122 C THR A 11 2.801 7.127 4.165 1.00 0.00 C ATOM 123 O THR A 11 2.974 6.628 5.276 1.00 0.00 O ATOM 124 CB THR A 11 3.728 5.643 2.300 1.00 0.00 C ATOM 125 OG1 THR A 11 4.586 5.813 1.175 1.00 0.00 O ATOM 126 CG2 THR A 11 2.340 5.452 1.685 1.00 0.00 C ATOM 0 HA THR A 11 3.679 7.779 2.368 1.00 0.00 H new ATOM 0 HB THR A 11 3.945 4.811 2.970 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.390 6.302 1.448 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.306 4.502 1.152 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.589 5.453 2.475 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.135 6.266 0.989 1.00 0.00 H new ATOM 134 N ILE A 12 1.733 7.830 3.816 1.00 0.00 N ATOM 135 CA ILE A 12 0.653 8.068 4.758 1.00 0.00 C ATOM 136 C ILE A 12 -0.536 7.174 4.401 1.00 0.00 C ATOM 137 O ILE A 12 -0.892 7.047 3.231 1.00 0.00 O ATOM 138 CB ILE A 12 0.308 9.558 4.812 1.00 0.00 C ATOM 139 CG1 ILE A 12 1.536 10.392 5.183 1.00 0.00 C ATOM 140 CG2 ILE A 12 -0.867 9.815 5.758 1.00 0.00 C ATOM 141 CD1 ILE A 12 1.258 11.886 5.006 1.00 0.00 C ATOM 0 H ILE A 12 1.593 8.242 2.894 1.00 0.00 H new ATOM 0 HA ILE A 12 0.962 7.799 5.768 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.006 9.872 3.817 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.818 10.191 6.217 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.381 10.099 4.559 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.092 10.881 5.778 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.742 9.266 5.409 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.606 9.480 6.762 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.147 12.456 5.276 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.000 12.087 3.966 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.429 12.180 5.649 1.00 0.00 H new ATOM 153 N LEU A 13 -1.118 6.578 5.431 1.00 0.00 N ATOM 154 CA LEU A 13 -2.259 5.699 5.241 1.00 0.00 C ATOM 155 C LEU A 13 -3.369 6.093 6.218 1.00 0.00 C ATOM 156 O LEU A 13 -3.151 6.131 7.428 1.00 0.00 O ATOM 157 CB LEU A 13 -1.832 4.234 5.353 1.00 0.00 C ATOM 158 CG LEU A 13 -2.818 3.204 4.797 1.00 0.00 C ATOM 159 CD1 LEU A 13 -3.675 2.607 5.915 1.00 0.00 C ATOM 160 CD2 LEU A 13 -3.672 3.809 3.681 1.00 0.00 C ATOM 0 H LEU A 13 -0.820 6.687 6.401 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.664 5.812 4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.880 4.113 4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.654 4.007 6.404 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.247 2.386 4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.367 1.878 5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.031 2.116 6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.238 3.401 6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.364 3.056 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.235 4.656 4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.026 4.147 2.871 1.00 0.00 H new ATOM 172 N LEU A 14 -4.535 6.376 5.656 1.00 0.00 N ATOM 173 CA LEU A 14 -5.679 6.766 6.463 1.00 0.00 C ATOM 174 C LEU A 14 -6.886 5.910 6.074 1.00 0.00 C ATOM 175 O LEU A 14 -6.788 5.055 5.196 1.00 0.00 O ATOM 176 CB LEU A 14 -5.929 8.271 6.346 1.00 0.00 C ATOM 177 CG LEU A 14 -5.287 8.967 5.144 1.00 0.00 C ATOM 178 CD1 LEU A 14 -3.761 8.936 5.244 1.00 0.00 C ATOM 179 CD2 LEU A 14 -5.788 8.364 3.830 1.00 0.00 C ATOM 0 H LEU A 14 -4.712 6.343 4.652 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.482 6.580 7.519 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.005 8.438 6.305 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.566 8.751 7.255 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.589 10.014 5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.329 9.437 4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.446 9.447 6.153 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.419 7.901 5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.316 8.876 2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.535 7.304 3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.870 8.481 3.765 1.00 0.00 H new ATOM 191 N VAL A 15 -7.997 6.170 6.748 1.00 0.00 N ATOM 192 CA VAL A 15 -9.222 5.434 6.485 1.00 0.00 C ATOM 193 C VAL A 15 -10.425 6.333 6.778 1.00 0.00 C ATOM 194 O VAL A 15 -10.539 6.886 7.871 1.00 0.00 O ATOM 195 CB VAL A 15 -9.235 4.134 7.291 1.00 0.00 C ATOM 196 CG1 VAL A 15 -10.666 3.722 7.643 1.00 0.00 C ATOM 197 CG2 VAL A 15 -8.512 3.015 6.540 1.00 0.00 C ATOM 0 H VAL A 15 -8.074 6.880 7.476 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.278 5.149 5.434 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.698 4.313 8.223 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.647 2.795 8.216 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -11.135 4.506 8.237 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.237 3.571 6.727 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.536 2.102 7.136 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.007 2.838 5.585 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.476 3.305 6.363 1.00 0.00 H new ATOM 207 N GLN A 16 -11.292 6.451 5.784 1.00 0.00 N ATOM 208 CA GLN A 16 -12.482 7.273 5.922 1.00 0.00 C ATOM 209 C GLN A 16 -13.726 6.479 5.517 1.00 0.00 C ATOM 210 O GLN A 16 -14.073 6.421 4.339 1.00 0.00 O ATOM 211 CB GLN A 16 -12.360 8.557 5.099 1.00 0.00 C ATOM 212 CG GLN A 16 -13.574 9.463 5.314 1.00 0.00 C ATOM 213 CD GLN A 16 -13.750 9.802 6.796 1.00 0.00 C ATOM 214 OE1 GLN A 16 -13.109 10.687 7.337 1.00 0.00 O ATOM 215 NE2 GLN A 16 -14.653 9.050 7.419 1.00 0.00 N ATOM 0 H GLN A 16 -11.194 5.991 4.879 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.582 7.559 6.969 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.451 9.088 5.380 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.270 8.308 4.042 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.453 10.381 4.739 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.471 8.969 4.941 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.155 8.325 6.906 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.844 9.198 8.410 1.00 0.00 H new ATOM 224 N PRO A 17 -14.379 5.871 6.544 1.00 0.00 N ATOM 225 CA PRO A 17 -15.576 5.083 6.307 1.00 0.00 C ATOM 226 C PRO A 17 -16.780 5.985 6.030 1.00 0.00 C ATOM 227 O PRO A 17 -17.500 5.782 5.053 1.00 0.00 O ATOM 228 CB PRO A 17 -15.744 4.236 7.558 1.00 0.00 C ATOM 229 CG PRO A 17 -14.909 4.913 8.634 1.00 0.00 C ATOM 230 CD PRO A 17 -13.996 5.918 7.952 1.00 0.00 C ATOM 0 HA PRO A 17 -15.495 4.451 5.422 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -16.792 4.180 7.854 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.406 3.214 7.386 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.552 5.412 9.359 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.323 4.176 9.183 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -14.129 6.918 8.365 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.947 5.655 8.086 1.00 0.00 H new ATOM 238 N THR A 18 -16.962 6.961 6.906 1.00 0.00 N ATOM 239 CA THR A 18 -18.067 7.895 6.768 1.00 0.00 C ATOM 240 C THR A 18 -17.541 9.318 6.571 1.00 0.00 C ATOM 241 O THR A 18 -16.553 9.527 5.868 1.00 0.00 O ATOM 242 CB THR A 18 -18.969 7.745 7.995 1.00 0.00 C ATOM 243 OG1 THR A 18 -18.144 8.151 9.084 1.00 0.00 O ATOM 244 CG2 THR A 18 -19.301 6.284 8.302 1.00 0.00 C ATOM 0 H THR A 18 -16.363 7.126 7.715 1.00 0.00 H new ATOM 0 HA THR A 18 -18.661 7.676 5.881 1.00 0.00 H new ATOM 0 HB THR A 18 -19.893 8.301 7.837 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.651 8.086 9.920 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.943 6.234 9.181 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.817 5.841 7.450 1.00 0.00 H new ATOM 0 HG23 THR A 18 -18.380 5.734 8.494 1.00 0.00 H new ATOM 252 N LYS A 19 -18.224 10.260 7.204 1.00 0.00 N ATOM 253 CA LYS A 19 -17.838 11.658 7.107 1.00 0.00 C ATOM 254 C LYS A 19 -17.887 12.294 8.497 1.00 0.00 C ATOM 255 O LYS A 19 -18.154 13.487 8.629 1.00 0.00 O ATOM 256 CB LYS A 19 -18.699 12.381 6.069 1.00 0.00 C ATOM 257 CG LYS A 19 -17.924 12.593 4.766 1.00 0.00 C ATOM 258 CD LYS A 19 -17.161 13.919 4.792 1.00 0.00 C ATOM 259 CE LYS A 19 -15.711 13.726 4.346 1.00 0.00 C ATOM 260 NZ LYS A 19 -15.155 14.995 3.825 1.00 0.00 N ATOM 0 H LYS A 19 -19.043 10.083 7.786 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.811 11.746 6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.600 11.800 5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -19.021 13.344 6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.225 11.770 4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -18.614 12.583 3.922 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -17.653 14.639 4.138 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.183 14.336 5.799 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.110 13.376 5.185 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.661 12.957 3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.170 14.846 3.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.719 15.313 3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.185 15.719 4.571 1.00 0.00 H new ATOM 274 N ARG A 20 -17.625 11.469 9.500 1.00 0.00 N ATOM 275 CA ARG A 20 -17.636 11.936 10.876 1.00 0.00 C ATOM 276 C ARG A 20 -16.211 11.987 11.431 1.00 0.00 C ATOM 277 O ARG A 20 -15.350 11.215 11.012 1.00 0.00 O ATOM 278 CB ARG A 20 -18.488 11.023 11.760 1.00 0.00 C ATOM 279 CG ARG A 20 -19.918 10.920 11.226 1.00 0.00 C ATOM 280 CD ARG A 20 -20.745 12.142 11.633 1.00 0.00 C ATOM 281 NE ARG A 20 -21.856 11.728 12.519 1.00 0.00 N ATOM 282 CZ ARG A 20 -22.933 11.046 12.105 1.00 0.00 C ATOM 283 NH1 ARG A 20 -23.050 10.697 10.816 1.00 0.00 N ATOM 284 NH2 ARG A 20 -23.892 10.713 12.979 1.00 0.00 N ATOM 0 H ARG A 20 -17.404 10.480 9.387 1.00 0.00 H new ATOM 0 HA ARG A 20 -18.068 12.937 10.883 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -18.040 10.030 11.802 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -18.504 11.409 12.779 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -19.899 10.835 10.139 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -20.388 10.014 11.609 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -20.111 12.866 12.145 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -21.141 12.636 10.746 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.798 11.977 13.506 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -22.320 10.950 10.151 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -23.869 10.178 10.501 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -23.803 10.978 13.960 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -24.712 10.194 12.664 1.00 0.00 H new ATOM 298 N PRO A 21 -16.002 12.928 12.390 1.00 0.00 N ATOM 299 CA PRO A 21 -14.696 13.089 13.007 1.00 0.00 C ATOM 300 C PRO A 21 -14.416 11.962 14.003 1.00 0.00 C ATOM 301 O PRO A 21 -13.323 11.878 14.560 1.00 0.00 O ATOM 302 CB PRO A 21 -14.736 14.462 13.659 1.00 0.00 C ATOM 303 CG PRO A 21 -16.208 14.821 13.783 1.00 0.00 C ATOM 304 CD PRO A 21 -16.998 13.859 12.911 1.00 0.00 C ATOM 0 HA PRO A 21 -13.880 13.028 12.287 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -14.254 14.444 14.637 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -14.204 15.197 13.055 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -16.532 14.749 14.821 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -16.378 15.850 13.467 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -17.763 13.339 13.488 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -17.509 14.384 12.104 1.00 0.00 H new ATOM 312 N GLU A 22 -15.424 11.123 14.196 1.00 0.00 N ATOM 313 CA GLU A 22 -15.300 10.005 15.115 1.00 0.00 C ATOM 314 C GLU A 22 -15.030 8.711 14.344 1.00 0.00 C ATOM 315 O GLU A 22 -15.929 7.890 14.167 1.00 0.00 O ATOM 316 CB GLU A 22 -16.549 9.872 15.988 1.00 0.00 C ATOM 317 CG GLU A 22 -16.372 10.610 17.316 1.00 0.00 C ATOM 318 CD GLU A 22 -16.247 9.625 18.480 1.00 0.00 C ATOM 319 OE1 GLU A 22 -15.250 8.870 18.480 1.00 0.00 O ATOM 320 OE2 GLU A 22 -17.151 9.648 19.342 1.00 0.00 O ATOM 0 H GLU A 22 -16.329 11.196 13.732 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.454 10.195 15.775 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -17.412 10.274 15.457 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.753 8.818 16.178 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.483 11.239 17.271 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.222 11.271 17.484 1.00 0.00 H new ATOM 327 N GLY A 23 -13.788 8.570 13.905 1.00 0.00 N ATOM 328 CA GLY A 23 -13.388 7.391 13.156 1.00 0.00 C ATOM 329 C GLY A 23 -12.547 7.774 11.937 1.00 0.00 C ATOM 330 O GLY A 23 -12.743 7.235 10.849 1.00 0.00 O ATOM 0 H GLY A 23 -13.045 9.253 14.054 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.817 6.723 13.801 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.273 6.843 12.834 1.00 0.00 H new ATOM 334 N ARG A 24 -11.628 8.702 12.160 1.00 0.00 N ATOM 335 CA ARG A 24 -10.757 9.164 11.093 1.00 0.00 C ATOM 336 C ARG A 24 -9.326 9.326 11.609 1.00 0.00 C ATOM 337 O ARG A 24 -9.015 10.300 12.292 1.00 0.00 O ATOM 338 CB ARG A 24 -11.241 10.500 10.525 1.00 0.00 C ATOM 339 CG ARG A 24 -11.431 11.532 11.638 1.00 0.00 C ATOM 340 CD ARG A 24 -10.574 12.775 11.385 1.00 0.00 C ATOM 341 NE ARG A 24 -11.396 13.996 11.543 1.00 0.00 N ATOM 342 CZ ARG A 24 -11.070 15.191 11.033 1.00 0.00 C ATOM 343 NH1 ARG A 24 -9.939 15.334 10.329 1.00 0.00 N ATOM 344 NH2 ARG A 24 -11.876 16.244 11.227 1.00 0.00 N ATOM 0 H ARG A 24 -11.468 9.146 13.064 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.779 8.416 10.300 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.520 10.873 9.798 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.182 10.354 9.995 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.481 11.816 11.700 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.163 11.090 12.598 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.736 12.798 12.082 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.152 12.738 10.381 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.264 13.923 12.073 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.326 14.533 10.181 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.691 16.244 9.941 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.737 16.135 11.763 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.628 17.154 10.839 1.00 0.00 H new ATOM 358 N THR A 25 -8.492 8.356 11.262 1.00 0.00 N ATOM 359 CA THR A 25 -7.101 8.379 11.681 1.00 0.00 C ATOM 360 C THR A 25 -6.178 8.174 10.479 1.00 0.00 C ATOM 361 O THR A 25 -6.646 7.968 9.360 1.00 0.00 O ATOM 362 CB THR A 25 -6.920 7.323 12.774 1.00 0.00 C ATOM 363 OG1 THR A 25 -5.594 7.540 13.250 1.00 0.00 O ATOM 364 CG2 THR A 25 -6.886 5.900 12.214 1.00 0.00 C ATOM 0 H THR A 25 -8.753 7.549 10.695 1.00 0.00 H new ATOM 0 HA THR A 25 -6.829 9.349 12.097 1.00 0.00 H new ATOM 0 HB THR A 25 -7.730 7.409 13.499 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.393 6.898 13.963 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.756 5.190 13.031 1.00 0.00 H new ATOM 0 HG22 THR A 25 -7.822 5.690 11.697 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.056 5.804 11.514 1.00 0.00 H new ATOM 372 N TYR A 26 -4.883 8.236 10.750 1.00 0.00 N ATOM 373 CA TYR A 26 -3.889 8.060 9.705 1.00 0.00 C ATOM 374 C TYR A 26 -2.713 7.218 10.202 1.00 0.00 C ATOM 375 O TYR A 26 -2.695 6.789 11.355 1.00 0.00 O ATOM 376 CB TYR A 26 -3.387 9.463 9.359 1.00 0.00 C ATOM 377 CG TYR A 26 -4.492 10.519 9.285 1.00 0.00 C ATOM 378 CD1 TYR A 26 -4.999 11.069 10.445 1.00 0.00 C ATOM 379 CD2 TYR A 26 -4.981 10.921 8.059 1.00 0.00 C ATOM 380 CE1 TYR A 26 -6.038 12.063 10.376 1.00 0.00 C ATOM 381 CE2 TYR A 26 -6.020 11.915 7.990 1.00 0.00 C ATOM 382 CZ TYR A 26 -6.498 12.437 9.151 1.00 0.00 C ATOM 383 OH TYR A 26 -7.480 13.376 9.086 1.00 0.00 O ATOM 0 H TYR A 26 -4.499 8.406 11.679 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.323 7.548 8.846 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.655 9.770 10.106 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.869 9.426 8.401 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.616 10.754 11.404 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.584 10.490 7.152 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -6.443 12.502 11.276 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.411 12.239 7.037 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.709 13.546 8.148 1.00 0.00 H new ATOM 393 N ALA A 27 -1.758 7.006 9.309 1.00 0.00 N ATOM 394 CA ALA A 27 -0.580 6.223 9.642 1.00 0.00 C ATOM 395 C ALA A 27 0.621 6.757 8.860 1.00 0.00 C ATOM 396 O ALA A 27 0.468 7.611 7.988 1.00 0.00 O ATOM 397 CB ALA A 27 -0.852 4.745 9.356 1.00 0.00 C ATOM 0 H ALA A 27 -1.776 7.363 8.354 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.348 6.312 10.703 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.032 4.157 9.606 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.695 4.407 9.959 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.087 4.616 8.299 1.00 0.00 H new ATOM 403 N ASP A 28 1.789 6.233 9.200 1.00 0.00 N ATOM 404 CA ASP A 28 3.016 6.646 8.540 1.00 0.00 C ATOM 405 C ASP A 28 3.940 5.437 8.388 1.00 0.00 C ATOM 406 O ASP A 28 4.242 4.755 9.366 1.00 0.00 O ATOM 407 CB ASP A 28 3.753 7.705 9.362 1.00 0.00 C ATOM 408 CG ASP A 28 3.680 7.514 10.878 1.00 0.00 C ATOM 409 OD1 ASP A 28 4.158 6.455 11.340 1.00 0.00 O ATOM 410 OD2 ASP A 28 3.147 8.430 11.541 1.00 0.00 O ATOM 0 H ASP A 28 1.912 5.526 9.924 1.00 0.00 H new ATOM 0 HA ASP A 28 2.753 7.063 7.568 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.801 7.712 9.062 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.344 8.685 9.114 1.00 0.00 H new ATOM 415 N TYR A 29 4.365 5.209 7.154 1.00 0.00 N ATOM 416 CA TYR A 29 5.249 4.094 6.861 1.00 0.00 C ATOM 417 C TYR A 29 6.496 4.565 6.110 1.00 0.00 C ATOM 418 O TYR A 29 6.658 5.758 5.855 1.00 0.00 O ATOM 419 CB TYR A 29 4.452 3.149 5.960 1.00 0.00 C ATOM 420 CG TYR A 29 3.324 2.407 6.679 1.00 0.00 C ATOM 421 CD1 TYR A 29 3.588 1.228 7.346 1.00 0.00 C ATOM 422 CD2 TYR A 29 2.041 2.916 6.660 1.00 0.00 C ATOM 423 CE1 TYR A 29 2.526 0.530 8.023 1.00 0.00 C ATOM 424 CE2 TYR A 29 0.979 2.218 7.337 1.00 0.00 C ATOM 425 CZ TYR A 29 1.274 1.060 7.985 1.00 0.00 C ATOM 426 OH TYR A 29 0.271 0.400 8.625 1.00 0.00 O ATOM 0 H TYR A 29 4.113 5.778 6.345 1.00 0.00 H new ATOM 0 HA TYR A 29 5.579 3.614 7.782 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.028 3.722 5.135 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.133 2.418 5.524 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.591 0.829 7.360 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.834 3.838 6.137 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.719 -0.393 8.549 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.029 2.606 7.330 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.568 0.894 8.515 1.00 0.00 H new ATOM 436 N GLU A 30 7.345 3.605 5.776 1.00 0.00 N ATOM 437 CA GLU A 30 8.572 3.907 5.059 1.00 0.00 C ATOM 438 C GLU A 30 8.453 3.473 3.596 1.00 0.00 C ATOM 439 O GLU A 30 8.925 4.168 2.698 1.00 0.00 O ATOM 440 CB GLU A 30 9.777 3.245 5.731 1.00 0.00 C ATOM 441 CG GLU A 30 10.070 3.887 7.088 1.00 0.00 C ATOM 442 CD GLU A 30 11.515 4.383 7.160 1.00 0.00 C ATOM 443 OE1 GLU A 30 12.371 3.578 7.584 1.00 0.00 O ATOM 444 OE2 GLU A 30 11.731 5.557 6.788 1.00 0.00 O ATOM 0 H GLU A 30 7.208 2.617 5.989 1.00 0.00 H new ATOM 0 HA GLU A 30 8.729 4.985 5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.585 2.180 5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.651 3.334 5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.387 4.720 7.255 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.890 3.163 7.883 1.00 0.00 H new ATOM 451 N SER A 31 7.819 2.326 3.403 1.00 0.00 N ATOM 452 CA SER A 31 7.632 1.791 2.065 1.00 0.00 C ATOM 453 C SER A 31 6.172 1.950 1.637 1.00 0.00 C ATOM 454 O SER A 31 5.365 2.520 2.370 1.00 0.00 O ATOM 455 CB SER A 31 8.048 0.320 1.996 1.00 0.00 C ATOM 456 OG SER A 31 9.412 0.168 1.613 1.00 0.00 O ATOM 0 H SER A 31 7.428 1.752 4.150 1.00 0.00 H new ATOM 0 HA SER A 31 8.268 2.353 1.381 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.890 -0.147 2.968 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.411 -0.204 1.283 1.00 0.00 H new ATOM 0 HG SER A 31 9.639 -0.785 1.582 1.00 0.00 H new ATOM 462 N VAL A 32 5.876 1.436 0.452 1.00 0.00 N ATOM 463 CA VAL A 32 4.527 1.514 -0.081 1.00 0.00 C ATOM 464 C VAL A 32 3.745 0.266 0.334 1.00 0.00 C ATOM 465 O VAL A 32 2.636 0.368 0.855 1.00 0.00 O ATOM 466 CB VAL A 32 4.574 1.712 -1.598 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.319 1.146 -2.264 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.766 3.188 -1.952 1.00 0.00 C ATOM 0 H VAL A 32 6.547 0.964 -0.154 1.00 0.00 H new ATOM 0 HA VAL A 32 4.004 2.377 0.331 1.00 0.00 H new ATOM 0 HB VAL A 32 5.433 1.161 -1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.378 1.300 -3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.245 0.079 -2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.438 1.655 -1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.796 3.301 -3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.937 3.770 -1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.702 3.546 -1.524 1.00 0.00 H new ATOM 478 N ASN A 33 4.356 -0.884 0.089 1.00 0.00 N ATOM 479 CA ASN A 33 3.732 -2.151 0.431 1.00 0.00 C ATOM 480 C ASN A 33 3.215 -2.087 1.870 1.00 0.00 C ATOM 481 O ASN A 33 2.047 -2.377 2.127 1.00 0.00 O ATOM 482 CB ASN A 33 4.735 -3.302 0.340 1.00 0.00 C ATOM 483 CG ASN A 33 6.143 -2.834 0.714 1.00 0.00 C ATOM 484 OD1 ASN A 33 6.347 -2.093 1.661 1.00 0.00 O ATOM 485 ND2 ASN A 33 7.099 -3.305 -0.082 1.00 0.00 N ATOM 0 H ASN A 33 5.277 -0.965 -0.342 1.00 0.00 H new ATOM 0 HA ASN A 33 2.918 -2.327 -0.272 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.428 -4.110 1.004 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.739 -3.706 -0.672 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.072 -3.049 0.084 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.859 -3.922 -0.858 1.00 0.00 H new ATOM 492 N GLU A 34 4.109 -1.707 2.770 1.00 0.00 N ATOM 493 CA GLU A 34 3.758 -1.601 4.176 1.00 0.00 C ATOM 494 C GLU A 34 2.429 -0.861 4.337 1.00 0.00 C ATOM 495 O GLU A 34 1.552 -1.306 5.076 1.00 0.00 O ATOM 496 CB GLU A 34 4.870 -0.911 4.969 1.00 0.00 C ATOM 497 CG GLU A 34 6.194 -1.665 4.826 1.00 0.00 C ATOM 498 CD GLU A 34 6.029 -3.139 5.199 1.00 0.00 C ATOM 499 OE1 GLU A 34 5.697 -3.923 4.284 1.00 0.00 O ATOM 500 OE2 GLU A 34 6.239 -3.449 6.392 1.00 0.00 O ATOM 0 H GLU A 34 5.077 -1.468 2.553 1.00 0.00 H new ATOM 0 HA GLU A 34 3.642 -2.608 4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.991 0.113 4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.591 -0.856 6.021 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.554 -1.584 3.800 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.948 -1.207 5.465 1.00 0.00 H new ATOM 507 N CYS A 35 2.322 0.257 3.633 1.00 0.00 N ATOM 508 CA CYS A 35 1.114 1.063 3.689 1.00 0.00 C ATOM 509 C CYS A 35 -0.068 0.187 3.272 1.00 0.00 C ATOM 510 O CYS A 35 -1.105 0.180 3.935 1.00 0.00 O ATOM 511 CB CYS A 35 1.231 2.317 2.819 1.00 0.00 C ATOM 512 SG CYS A 35 -0.428 3.031 2.526 1.00 0.00 S ATOM 0 H CYS A 35 3.052 0.623 3.021 1.00 0.00 H new ATOM 0 HA CYS A 35 0.958 1.420 4.707 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.871 3.051 3.309 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.702 2.068 1.868 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.419 4.293 2.840 1.00 0.00 H new ATOM 518 N MET A 36 0.126 -0.531 2.176 1.00 0.00 N ATOM 519 CA MET A 36 -0.912 -1.409 1.663 1.00 0.00 C ATOM 520 C MET A 36 -1.360 -2.410 2.729 1.00 0.00 C ATOM 521 O MET A 36 -2.556 -2.582 2.962 1.00 0.00 O ATOM 522 CB MET A 36 -0.384 -2.165 0.442 1.00 0.00 C ATOM 523 CG MET A 36 0.108 -1.194 -0.633 1.00 0.00 C ATOM 524 SD MET A 36 -1.173 -0.015 -1.024 1.00 0.00 S ATOM 525 CE MET A 36 -0.180 1.444 -1.294 1.00 0.00 C ATOM 0 H MET A 36 0.987 -0.523 1.629 1.00 0.00 H new ATOM 0 HA MET A 36 -1.770 -0.799 1.381 1.00 0.00 H new ATOM 0 HB2 MET A 36 0.431 -2.824 0.742 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.172 -2.798 0.033 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.999 -0.673 -0.283 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.392 -1.745 -1.529 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.815 2.329 -1.250 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.588 1.509 -0.523 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.294 1.385 -2.274 1.00 0.00 H new ATOM 535 N GLU A 37 -0.376 -3.046 3.349 1.00 0.00 N ATOM 536 CA GLU A 37 -0.654 -4.026 4.385 1.00 0.00 C ATOM 537 C GLU A 37 -1.840 -3.573 5.239 1.00 0.00 C ATOM 538 O GLU A 37 -2.892 -4.212 5.235 1.00 0.00 O ATOM 539 CB GLU A 37 0.583 -4.273 5.252 1.00 0.00 C ATOM 540 CG GLU A 37 1.119 -5.691 5.049 1.00 0.00 C ATOM 541 CD GLU A 37 2.045 -6.096 6.198 1.00 0.00 C ATOM 542 OE1 GLU A 37 2.739 -5.193 6.713 1.00 0.00 O ATOM 543 OE2 GLU A 37 2.039 -7.300 6.535 1.00 0.00 O ATOM 0 H GLU A 37 0.615 -2.901 3.153 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.916 -4.969 3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.358 -3.548 5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.332 -4.122 6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.287 -6.392 4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.659 -5.748 4.104 1.00 0.00 H new ATOM 550 N GLY A 38 -1.632 -2.476 5.951 1.00 0.00 N ATOM 551 CA GLY A 38 -2.671 -1.931 6.808 1.00 0.00 C ATOM 552 C GLY A 38 -4.051 -2.099 6.170 1.00 0.00 C ATOM 553 O GLY A 38 -4.968 -2.631 6.796 1.00 0.00 O ATOM 0 H GLY A 38 -0.759 -1.949 5.952 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.650 -2.433 7.775 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.478 -0.874 6.993 1.00 0.00 H new ATOM 557 N VAL A 39 -4.157 -1.635 4.934 1.00 0.00 N ATOM 558 CA VAL A 39 -5.410 -1.727 4.205 1.00 0.00 C ATOM 559 C VAL A 39 -5.880 -3.183 4.188 1.00 0.00 C ATOM 560 O VAL A 39 -7.038 -3.468 4.490 1.00 0.00 O ATOM 561 CB VAL A 39 -5.245 -1.137 2.803 1.00 0.00 C ATOM 562 CG1 VAL A 39 -6.502 -1.362 1.961 1.00 0.00 C ATOM 563 CG2 VAL A 39 -4.890 0.350 2.872 1.00 0.00 C ATOM 0 H VAL A 39 -3.395 -1.194 4.419 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.183 -1.141 4.701 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.419 -1.656 2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.357 -0.933 0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.692 -2.431 1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.354 -0.882 2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.778 0.745 1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.684 0.890 3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.954 0.476 3.416 1.00 0.00 H new ATOM 573 N CYS A 40 -4.958 -4.065 3.833 1.00 0.00 N ATOM 574 CA CYS A 40 -5.263 -5.484 3.774 1.00 0.00 C ATOM 575 C CYS A 40 -5.589 -5.965 5.189 1.00 0.00 C ATOM 576 O CYS A 40 -6.473 -6.800 5.377 1.00 0.00 O ATOM 577 CB CYS A 40 -4.118 -6.284 3.149 1.00 0.00 C ATOM 578 SG CYS A 40 -4.763 -7.829 2.410 1.00 0.00 S ATOM 0 H CYS A 40 -3.999 -3.824 3.583 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.126 -5.646 3.128 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.620 -5.686 2.385 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.371 -6.518 3.907 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.783 -8.499 1.881 1.00 0.00 H new ATOM 584 N LYS A 41 -4.859 -5.417 6.149 1.00 0.00 N ATOM 585 CA LYS A 41 -5.059 -5.780 7.542 1.00 0.00 C ATOM 586 C LYS A 41 -6.491 -5.432 7.954 1.00 0.00 C ATOM 587 O LYS A 41 -7.216 -6.281 8.471 1.00 0.00 O ATOM 588 CB LYS A 41 -3.991 -5.130 8.424 1.00 0.00 C ATOM 589 CG LYS A 41 -2.586 -5.453 7.911 1.00 0.00 C ATOM 590 CD LYS A 41 -1.991 -6.649 8.657 1.00 0.00 C ATOM 591 CE LYS A 41 -0.471 -6.700 8.489 1.00 0.00 C ATOM 592 NZ LYS A 41 0.200 -6.089 9.658 1.00 0.00 N ATOM 0 H LYS A 41 -4.128 -4.724 5.990 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.940 -6.855 7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.136 -4.050 8.441 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.098 -5.482 9.450 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.626 -5.669 6.843 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.940 -4.584 8.037 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.241 -6.583 9.716 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.433 -7.572 8.282 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.146 -7.734 8.375 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.182 -6.173 7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.231 -6.132 9.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.097 -5.096 9.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.062 -6.609 10.520 1.00 0.00 H new ATOM 606 N MET A 42 -6.856 -4.182 7.709 1.00 0.00 N ATOM 607 CA MET A 42 -8.189 -3.712 8.048 1.00 0.00 C ATOM 608 C MET A 42 -9.231 -4.808 7.821 1.00 0.00 C ATOM 609 O MET A 42 -9.825 -5.312 8.773 1.00 0.00 O ATOM 610 CB MET A 42 -8.534 -2.493 7.190 1.00 0.00 C ATOM 611 CG MET A 42 -8.179 -1.194 7.916 1.00 0.00 C ATOM 612 SD MET A 42 -7.224 -0.135 6.841 1.00 0.00 S ATOM 613 CE MET A 42 -8.271 -0.137 5.395 1.00 0.00 C ATOM 0 H MET A 42 -6.252 -3.481 7.280 1.00 0.00 H new ATOM 0 HA MET A 42 -8.200 -3.439 9.103 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.994 -2.545 6.244 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.597 -2.501 6.951 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.089 -0.682 8.229 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.611 -1.416 8.819 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.044 0.734 4.780 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.093 -1.044 4.818 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.316 -0.102 5.702 1.00 0.00 H new ATOM 623 N TYR A 43 -9.423 -5.145 6.554 1.00 0.00 N ATOM 624 CA TYR A 43 -10.384 -6.172 6.190 1.00 0.00 C ATOM 625 C TYR A 43 -10.130 -7.462 6.972 1.00 0.00 C ATOM 626 O TYR A 43 -11.053 -8.033 7.550 1.00 0.00 O ATOM 627 CB TYR A 43 -10.167 -6.442 4.699 1.00 0.00 C ATOM 628 CG TYR A 43 -11.218 -7.363 4.075 1.00 0.00 C ATOM 629 CD1 TYR A 43 -12.535 -6.958 4.001 1.00 0.00 C ATOM 630 CD2 TYR A 43 -10.848 -8.600 3.585 1.00 0.00 C ATOM 631 CE1 TYR A 43 -13.523 -7.824 3.413 1.00 0.00 C ATOM 632 CE2 TYR A 43 -11.836 -9.466 2.998 1.00 0.00 C ATOM 633 CZ TYR A 43 -13.125 -9.036 2.941 1.00 0.00 C ATOM 634 OH TYR A 43 -14.059 -9.854 2.386 1.00 0.00 O ATOM 0 H TYR A 43 -8.929 -4.725 5.767 1.00 0.00 H new ATOM 0 HA TYR A 43 -11.399 -5.844 6.412 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.167 -5.492 4.164 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -9.181 -6.886 4.560 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -12.825 -5.991 4.384 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.817 -8.917 3.642 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.557 -7.518 3.348 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -11.560 -10.436 2.611 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.742 -9.313 1.937 1.00 0.00 H new ATOM 644 N GLU A 44 -8.874 -7.884 6.964 1.00 0.00 N ATOM 645 CA GLU A 44 -8.487 -9.096 7.666 1.00 0.00 C ATOM 646 C GLU A 44 -9.050 -9.089 9.088 1.00 0.00 C ATOM 647 O GLU A 44 -9.549 -10.105 9.568 1.00 0.00 O ATOM 648 CB GLU A 44 -6.966 -9.261 7.679 1.00 0.00 C ATOM 649 CG GLU A 44 -6.447 -9.669 6.298 1.00 0.00 C ATOM 650 CD GLU A 44 -5.599 -10.939 6.385 1.00 0.00 C ATOM 651 OE1 GLU A 44 -5.082 -11.202 7.492 1.00 0.00 O ATOM 652 OE2 GLU A 44 -5.487 -11.619 5.342 1.00 0.00 O ATOM 0 H GLU A 44 -8.111 -7.408 6.482 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.907 -9.950 7.134 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.498 -8.326 7.986 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.685 -10.015 8.415 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.287 -9.834 5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.853 -8.859 5.875 1.00 0.00 H new ATOM 659 N GLU A 45 -8.951 -7.930 9.724 1.00 0.00 N ATOM 660 CA GLU A 45 -9.443 -7.777 11.082 1.00 0.00 C ATOM 661 C GLU A 45 -10.868 -8.324 11.195 1.00 0.00 C ATOM 662 O GLU A 45 -11.149 -9.161 12.051 1.00 0.00 O ATOM 663 CB GLU A 45 -9.381 -6.314 11.526 1.00 0.00 C ATOM 664 CG GLU A 45 -7.972 -5.745 11.343 1.00 0.00 C ATOM 665 CD GLU A 45 -7.290 -5.525 12.694 1.00 0.00 C ATOM 666 OE1 GLU A 45 -6.642 -6.484 13.166 1.00 0.00 O ATOM 667 OE2 GLU A 45 -7.432 -4.402 13.226 1.00 0.00 O ATOM 0 H GLU A 45 -8.537 -7.088 9.323 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.800 -8.352 11.748 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.093 -5.724 10.949 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.676 -6.235 12.572 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.376 -6.428 10.738 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.025 -4.801 10.800 1.00 0.00 H new ATOM 674 N HIS A 46 -11.729 -7.828 10.318 1.00 0.00 N ATOM 675 CA HIS A 46 -13.117 -8.256 10.309 1.00 0.00 C ATOM 676 C HIS A 46 -13.192 -9.747 9.974 1.00 0.00 C ATOM 677 O HIS A 46 -14.206 -10.394 10.229 1.00 0.00 O ATOM 678 CB HIS A 46 -13.946 -7.392 9.356 1.00 0.00 C ATOM 679 CG HIS A 46 -15.103 -8.121 8.716 1.00 0.00 C ATOM 680 ND1 HIS A 46 -16.325 -8.286 9.345 1.00 0.00 N ATOM 681 CD2 HIS A 46 -15.213 -8.724 7.497 1.00 0.00 C ATOM 682 CE1 HIS A 46 -17.125 -8.961 8.532 1.00 0.00 C ATOM 683 NE2 HIS A 46 -16.434 -9.232 7.388 1.00 0.00 N ATOM 0 H HIS A 46 -11.492 -7.134 9.609 1.00 0.00 H new ATOM 0 HA HIS A 46 -13.550 -8.119 11.300 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -14.330 -6.531 9.903 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -13.295 -7.006 8.572 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -14.437 -8.779 6.747 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -18.146 -9.247 8.739 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -16.796 -9.741 6.582 1.00 0.00 H new ATOM 691 N LEU A 47 -12.105 -10.249 9.407 1.00 0.00 N ATOM 692 CA LEU A 47 -12.034 -11.651 9.034 1.00 0.00 C ATOM 693 C LEU A 47 -11.556 -12.470 10.235 1.00 0.00 C ATOM 694 O LEU A 47 -12.167 -13.478 10.587 1.00 0.00 O ATOM 695 CB LEU A 47 -11.170 -11.831 7.784 1.00 0.00 C ATOM 696 CG LEU A 47 -11.927 -12.048 6.472 1.00 0.00 C ATOM 697 CD1 LEU A 47 -12.918 -10.911 6.216 1.00 0.00 C ATOM 698 CD2 LEU A 47 -10.956 -12.236 5.304 1.00 0.00 C ATOM 0 H LEU A 47 -11.266 -9.709 9.197 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.022 -12.024 8.766 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.537 -10.951 7.674 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.508 -12.682 7.944 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.507 -12.967 6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.443 -11.090 5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.639 -10.866 7.032 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.379 -9.965 6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.519 -12.388 4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.331 -11.349 5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.325 -13.105 5.491 1.00 0.00 H new ATOM 710 N LYS A 48 -10.467 -12.006 10.831 1.00 0.00 N ATOM 711 CA LYS A 48 -9.900 -12.683 11.985 1.00 0.00 C ATOM 712 C LYS A 48 -11.021 -13.049 12.959 1.00 0.00 C ATOM 713 O LYS A 48 -11.142 -14.203 13.367 1.00 0.00 O ATOM 714 CB LYS A 48 -8.793 -11.834 12.613 1.00 0.00 C ATOM 715 CG LYS A 48 -7.897 -11.217 11.537 1.00 0.00 C ATOM 716 CD LYS A 48 -6.434 -11.199 11.984 1.00 0.00 C ATOM 717 CE LYS A 48 -5.514 -10.787 10.833 1.00 0.00 C ATOM 718 NZ LYS A 48 -4.109 -10.716 11.293 1.00 0.00 N ATOM 0 H LYS A 48 -9.963 -11.170 10.536 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.423 -13.616 11.683 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.236 -11.044 13.219 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.192 -12.450 13.282 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.991 -11.785 10.611 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.228 -10.201 11.322 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.313 -10.506 12.817 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.149 -12.186 12.347 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.600 -11.504 10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.824 -9.818 10.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.498 -10.435 10.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.029 -10.015 12.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.812 -11.648 11.646 1.00 0.00 H new ATOM 732 N ARG A 49 -11.814 -12.045 13.303 1.00 0.00 N ATOM 733 CA ARG A 49 -12.922 -12.246 14.221 1.00 0.00 C ATOM 734 C ARG A 49 -13.835 -13.365 13.714 1.00 0.00 C ATOM 735 O ARG A 49 -14.490 -14.042 14.504 1.00 0.00 O ATOM 736 CB ARG A 49 -13.741 -10.965 14.386 1.00 0.00 C ATOM 737 CG ARG A 49 -14.043 -10.328 13.028 1.00 0.00 C ATOM 738 CD ARG A 49 -15.545 -10.345 12.737 1.00 0.00 C ATOM 739 NE ARG A 49 -16.095 -8.975 12.836 1.00 0.00 N ATOM 740 CZ ARG A 49 -17.396 -8.697 12.998 1.00 0.00 C ATOM 741 NH1 ARG A 49 -18.288 -9.694 13.080 1.00 0.00 N ATOM 742 NH2 ARG A 49 -17.805 -7.424 13.077 1.00 0.00 N ATOM 0 H ARG A 49 -11.711 -11.089 12.962 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.504 -12.523 15.189 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.675 -11.190 14.902 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.195 -10.258 15.010 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.678 -9.301 13.015 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.511 -10.866 12.243 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.726 -10.747 11.740 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.053 -11.002 13.443 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.443 -8.193 12.777 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.976 -10.663 13.019 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -19.278 -9.483 13.203 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.126 -6.665 13.014 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.795 -7.213 13.200 1.00 0.00 H new ATOM 756 N MET A 50 -13.848 -13.524 12.399 1.00 0.00 N ATOM 757 CA MET A 50 -14.669 -14.548 11.777 1.00 0.00 C ATOM 758 C MET A 50 -13.911 -15.873 11.675 1.00 0.00 C ATOM 759 O MET A 50 -14.487 -16.940 11.880 1.00 0.00 O ATOM 760 CB MET A 50 -15.086 -14.090 10.378 1.00 0.00 C ATOM 761 CG MET A 50 -16.066 -12.918 10.454 1.00 0.00 C ATOM 762 SD MET A 50 -17.599 -13.351 9.649 1.00 0.00 S ATOM 763 CE MET A 50 -16.974 -13.922 8.078 1.00 0.00 C ATOM 0 H MET A 50 -13.303 -12.960 11.747 1.00 0.00 H new ATOM 0 HA MET A 50 -15.552 -14.703 12.397 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.204 -13.795 9.810 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.547 -14.920 9.842 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.254 -12.657 11.496 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.632 -12.039 9.978 1.00 0.00 H new ATOM 0 HE1 MET A 50 -17.674 -13.651 7.288 1.00 0.00 H new ATOM 0 HE2 MET A 50 -16.007 -13.459 7.881 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.858 -15.006 8.105 1.00 0.00 H new ATOM 773 N ASN A 51 -12.628 -15.761 11.360 1.00 0.00 N ATOM 774 CA ASN A 51 -11.785 -16.937 11.230 1.00 0.00 C ATOM 775 C ASN A 51 -10.742 -16.938 12.349 1.00 0.00 C ATOM 776 O ASN A 51 -9.698 -16.299 12.230 1.00 0.00 O ATOM 777 CB ASN A 51 -11.042 -16.936 9.892 1.00 0.00 C ATOM 778 CG ASN A 51 -12.010 -16.717 8.727 1.00 0.00 C ATOM 779 OD1 ASN A 51 -12.311 -17.616 7.959 1.00 0.00 O ATOM 780 ND2 ASN A 51 -12.480 -15.476 8.640 1.00 0.00 N ATOM 0 H ASN A 51 -12.153 -14.874 11.191 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.424 -17.818 11.288 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.285 -16.152 9.893 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.519 -17.883 9.762 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.134 -15.229 7.897 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.187 -14.771 9.316 1.00 0.00 H new ATOM 787 N PRO A 52 -11.070 -17.682 13.439 1.00 0.00 N ATOM 788 CA PRO A 52 -10.174 -17.774 14.579 1.00 0.00 C ATOM 789 C PRO A 52 -8.986 -18.688 14.270 1.00 0.00 C ATOM 790 O PRO A 52 -7.843 -18.352 14.577 1.00 0.00 O ATOM 791 CB PRO A 52 -11.038 -18.289 15.718 1.00 0.00 C ATOM 792 CG PRO A 52 -12.265 -18.905 15.065 1.00 0.00 C ATOM 793 CD PRO A 52 -12.298 -18.452 13.615 1.00 0.00 C ATOM 0 HA PRO A 52 -9.725 -16.816 14.839 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.500 -19.027 16.313 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.319 -17.480 16.392 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.224 -19.993 15.124 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -13.171 -18.592 15.584 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -12.333 -19.303 12.935 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -13.179 -17.844 13.410 1.00 0.00 H new ATOM 801 N ASN A 53 -9.297 -19.826 13.666 1.00 0.00 N ATOM 802 CA ASN A 53 -8.269 -20.790 13.312 1.00 0.00 C ATOM 803 C ASN A 53 -7.345 -20.180 12.257 1.00 0.00 C ATOM 804 O ASN A 53 -6.151 -20.472 12.229 1.00 0.00 O ATOM 805 CB ASN A 53 -8.886 -22.060 12.724 1.00 0.00 C ATOM 806 CG ASN A 53 -9.883 -22.689 13.699 1.00 0.00 C ATOM 807 OD1 ASN A 53 -9.535 -23.480 14.560 1.00 0.00 O ATOM 808 ND2 ASN A 53 -11.140 -22.294 13.516 1.00 0.00 N ATOM 0 H ASN A 53 -10.246 -20.102 13.413 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.717 -21.043 14.217 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.389 -21.823 11.786 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.098 -22.777 12.491 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.881 -22.657 14.116 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.363 -21.629 12.776 1.00 0.00 H new ATOM 815 N SER A 54 -7.933 -19.344 11.414 1.00 0.00 N ATOM 816 CA SER A 54 -7.178 -18.690 10.359 1.00 0.00 C ATOM 817 C SER A 54 -5.800 -18.276 10.881 1.00 0.00 C ATOM 818 O SER A 54 -5.686 -17.331 11.660 1.00 0.00 O ATOM 819 CB SER A 54 -7.928 -17.471 9.818 1.00 0.00 C ATOM 820 OG SER A 54 -8.453 -17.704 8.514 1.00 0.00 O ATOM 0 H SER A 54 -8.924 -19.104 11.440 1.00 0.00 H new ATOM 0 HA SER A 54 -7.052 -19.398 9.540 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.742 -17.215 10.496 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.255 -16.614 9.790 1.00 0.00 H new ATOM 0 HG SER A 54 -8.870 -16.883 8.178 1.00 0.00 H new ATOM 826 N PRO A 55 -4.762 -19.023 10.419 1.00 0.00 N ATOM 827 CA PRO A 55 -3.397 -18.744 10.831 1.00 0.00 C ATOM 828 C PRO A 55 -2.857 -17.496 10.129 1.00 0.00 C ATOM 829 O PRO A 55 -2.262 -16.629 10.767 1.00 0.00 O ATOM 830 CB PRO A 55 -2.617 -20.003 10.488 1.00 0.00 C ATOM 831 CG PRO A 55 -3.467 -20.758 9.480 1.00 0.00 C ATOM 832 CD PRO A 55 -4.860 -20.150 9.495 1.00 0.00 C ATOM 0 HA PRO A 55 -3.316 -18.519 11.894 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.641 -19.756 10.069 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.438 -20.606 11.378 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.030 -20.687 8.484 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.510 -21.817 9.734 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.160 -19.821 8.500 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.604 -20.873 9.829 1.00 0.00 H new ATOM 840 N SER A 56 -3.084 -17.446 8.824 1.00 0.00 N ATOM 841 CA SER A 56 -2.627 -16.319 8.029 1.00 0.00 C ATOM 842 C SER A 56 -3.802 -15.711 7.260 1.00 0.00 C ATOM 843 O SER A 56 -3.629 -14.749 6.513 1.00 0.00 O ATOM 844 CB SER A 56 -1.520 -16.741 7.060 1.00 0.00 C ATOM 845 OG SER A 56 -1.074 -15.654 6.254 1.00 0.00 O ATOM 0 H SER A 56 -3.578 -18.167 8.298 1.00 0.00 H new ATOM 0 HA SER A 56 -2.215 -15.569 8.704 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.678 -17.144 7.624 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.886 -17.542 6.418 1.00 0.00 H new ATOM 0 HG SER A 56 -1.819 -15.038 6.093 1.00 0.00 H new ATOM 851 N ILE A 57 -4.972 -16.298 7.469 1.00 0.00 N ATOM 852 CA ILE A 57 -6.175 -15.826 6.804 1.00 0.00 C ATOM 853 C ILE A 57 -6.072 -16.118 5.306 1.00 0.00 C ATOM 854 O ILE A 57 -5.002 -16.466 4.809 1.00 0.00 O ATOM 855 CB ILE A 57 -6.423 -14.352 7.128 1.00 0.00 C ATOM 856 CG1 ILE A 57 -6.464 -14.122 8.641 1.00 0.00 C ATOM 857 CG2 ILE A 57 -7.689 -13.844 6.437 1.00 0.00 C ATOM 858 CD1 ILE A 57 -7.836 -13.605 9.079 1.00 0.00 C ATOM 0 H ILE A 57 -5.112 -17.096 8.089 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.050 -16.361 7.174 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.588 -13.771 6.737 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.239 -15.054 9.160 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.693 -13.405 8.925 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.842 -12.793 6.684 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.582 -13.951 5.358 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.547 -14.425 6.776 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.839 -13.450 10.158 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.047 -12.661 8.576 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.601 -14.335 8.816 1.00 0.00 H new ATOM 870 N THR A 58 -7.200 -15.964 4.627 1.00 0.00 N ATOM 871 CA THR A 58 -7.251 -16.207 3.196 1.00 0.00 C ATOM 872 C THR A 58 -8.650 -15.910 2.654 1.00 0.00 C ATOM 873 O THR A 58 -9.649 -16.289 3.263 1.00 0.00 O ATOM 874 CB THR A 58 -6.794 -17.645 2.943 1.00 0.00 C ATOM 875 OG1 THR A 58 -6.126 -17.582 1.686 1.00 0.00 O ATOM 876 CG2 THR A 58 -7.966 -18.597 2.695 1.00 0.00 C ATOM 0 H THR A 58 -8.085 -15.674 5.042 1.00 0.00 H new ATOM 0 HA THR A 58 -6.579 -15.538 2.658 1.00 0.00 H new ATOM 0 HB THR A 58 -6.215 -17.997 3.797 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.796 -18.473 1.446 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.586 -19.604 2.521 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.621 -18.602 3.566 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.526 -18.265 1.821 1.00 0.00 H new ATOM 884 N TYR A 59 -8.678 -15.233 1.515 1.00 0.00 N ATOM 885 CA TYR A 59 -9.938 -14.881 0.884 1.00 0.00 C ATOM 886 C TYR A 59 -9.709 -14.296 -0.511 1.00 0.00 C ATOM 887 O TYR A 59 -8.572 -14.214 -0.974 1.00 0.00 O ATOM 888 CB TYR A 59 -10.571 -13.810 1.775 1.00 0.00 C ATOM 889 CG TYR A 59 -9.596 -12.721 2.226 1.00 0.00 C ATOM 890 CD1 TYR A 59 -9.303 -11.666 1.385 1.00 0.00 C ATOM 891 CD2 TYR A 59 -9.011 -12.792 3.474 1.00 0.00 C ATOM 892 CE1 TYR A 59 -8.385 -10.641 1.810 1.00 0.00 C ATOM 893 CE2 TYR A 59 -8.094 -11.767 3.898 1.00 0.00 C ATOM 894 CZ TYR A 59 -7.826 -10.741 3.045 1.00 0.00 C ATOM 895 OH TYR A 59 -6.960 -9.773 3.446 1.00 0.00 O ATOM 0 H TYR A 59 -7.847 -14.919 1.013 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.571 -15.762 0.774 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.396 -13.344 1.236 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.997 -14.290 2.656 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.762 -11.609 0.409 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.241 -13.617 4.132 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.146 -9.811 1.162 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.629 -11.811 4.872 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.440 -9.460 2.677 1.00 0.00 H new ATOM 905 N ASP A 60 -10.806 -13.905 -1.142 1.00 0.00 N ATOM 906 CA ASP A 60 -10.739 -13.330 -2.475 1.00 0.00 C ATOM 907 C ASP A 60 -10.404 -11.841 -2.367 1.00 0.00 C ATOM 908 O ASP A 60 -11.084 -11.098 -1.661 1.00 0.00 O ATOM 909 CB ASP A 60 -12.079 -13.462 -3.200 1.00 0.00 C ATOM 910 CG ASP A 60 -12.458 -14.888 -3.605 1.00 0.00 C ATOM 911 OD1 ASP A 60 -11.998 -15.311 -4.688 1.00 0.00 O ATOM 912 OD2 ASP A 60 -13.198 -15.523 -2.823 1.00 0.00 O ATOM 0 H ASP A 60 -11.747 -13.975 -0.755 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.972 -13.865 -3.035 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.863 -13.062 -2.557 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.053 -12.841 -4.095 1.00 0.00 H new ATOM 917 N ILE A 61 -9.357 -11.450 -3.077 1.00 0.00 N ATOM 918 CA ILE A 61 -8.924 -10.063 -3.070 1.00 0.00 C ATOM 919 C ILE A 61 -10.106 -9.162 -3.436 1.00 0.00 C ATOM 920 O ILE A 61 -10.221 -8.047 -2.930 1.00 0.00 O ATOM 921 CB ILE A 61 -7.706 -9.877 -3.977 1.00 0.00 C ATOM 922 CG1 ILE A 61 -6.443 -9.618 -3.153 1.00 0.00 C ATOM 923 CG2 ILE A 61 -7.953 -8.775 -5.009 1.00 0.00 C ATOM 924 CD1 ILE A 61 -5.281 -9.186 -4.051 1.00 0.00 C ATOM 0 H ILE A 61 -8.795 -12.069 -3.661 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.597 -9.772 -2.072 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.547 -10.804 -4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.641 -8.844 -2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.169 -10.521 -2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.072 -8.664 -5.640 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.811 -9.041 -5.627 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.153 -7.834 -4.496 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.396 -9.008 -3.440 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.070 -9.972 -4.776 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.549 -8.270 -4.577 1.00 0.00 H new ATOM 936 N SER A 62 -10.954 -9.680 -4.312 1.00 0.00 N ATOM 937 CA SER A 62 -12.123 -8.936 -4.751 1.00 0.00 C ATOM 938 C SER A 62 -13.042 -8.656 -3.561 1.00 0.00 C ATOM 939 O SER A 62 -13.705 -7.621 -3.514 1.00 0.00 O ATOM 940 CB SER A 62 -12.882 -9.697 -5.841 1.00 0.00 C ATOM 941 OG SER A 62 -13.701 -8.832 -6.623 1.00 0.00 O ATOM 0 H SER A 62 -10.855 -10.605 -4.730 1.00 0.00 H new ATOM 0 HA SER A 62 -11.788 -7.989 -5.173 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.170 -10.207 -6.490 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.502 -10.466 -5.381 1.00 0.00 H new ATOM 0 HG SER A 62 -14.168 -9.354 -7.308 1.00 0.00 H new ATOM 947 N GLN A 63 -13.053 -9.597 -2.628 1.00 0.00 N ATOM 948 CA GLN A 63 -13.880 -9.464 -1.441 1.00 0.00 C ATOM 949 C GLN A 63 -13.316 -8.381 -0.519 1.00 0.00 C ATOM 950 O GLN A 63 -14.058 -7.535 -0.023 1.00 0.00 O ATOM 951 CB GLN A 63 -14.004 -10.801 -0.706 1.00 0.00 C ATOM 952 CG GLN A 63 -15.084 -11.678 -1.341 1.00 0.00 C ATOM 953 CD GLN A 63 -16.154 -12.059 -0.315 1.00 0.00 C ATOM 954 OE1 GLN A 63 -15.886 -12.692 0.693 1.00 0.00 O ATOM 955 NE2 GLN A 63 -17.377 -11.639 -0.627 1.00 0.00 N ATOM 0 H GLN A 63 -12.502 -10.455 -2.670 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.881 -9.164 -1.751 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -13.047 -11.323 -0.729 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.245 -10.623 0.342 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.546 -11.147 -2.173 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.630 -12.580 -1.751 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -17.532 -11.113 -1.487 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -18.160 -11.843 -0.006 1.00 0.00 H new ATOM 964 N LEU A 64 -12.008 -8.444 -0.317 1.00 0.00 N ATOM 965 CA LEU A 64 -11.336 -7.480 0.537 1.00 0.00 C ATOM 966 C LEU A 64 -11.694 -6.064 0.080 1.00 0.00 C ATOM 967 O LEU A 64 -12.018 -5.207 0.901 1.00 0.00 O ATOM 968 CB LEU A 64 -9.831 -7.752 0.571 1.00 0.00 C ATOM 969 CG LEU A 64 -8.925 -6.519 0.568 1.00 0.00 C ATOM 970 CD1 LEU A 64 -9.337 -5.533 1.663 1.00 0.00 C ATOM 971 CD2 LEU A 64 -7.453 -6.919 0.681 1.00 0.00 C ATOM 0 H LEU A 64 -11.396 -9.148 -0.730 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.678 -7.580 1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.608 -8.339 1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.574 -8.369 -0.290 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.047 -6.009 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.677 -4.666 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.365 -5.211 1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.263 -6.018 2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.831 -6.024 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.295 -7.466 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.182 -7.553 -0.163 1.00 0.00 H new ATOM 983 N PHE A 65 -11.623 -5.863 -1.227 1.00 0.00 N ATOM 984 CA PHE A 65 -11.936 -4.566 -1.803 1.00 0.00 C ATOM 985 C PHE A 65 -13.415 -4.223 -1.611 1.00 0.00 C ATOM 986 O PHE A 65 -13.776 -3.052 -1.504 1.00 0.00 O ATOM 987 CB PHE A 65 -11.636 -4.657 -3.300 1.00 0.00 C ATOM 988 CG PHE A 65 -10.155 -4.857 -3.627 1.00 0.00 C ATOM 989 CD1 PHE A 65 -9.221 -4.751 -2.644 1.00 0.00 C ATOM 990 CD2 PHE A 65 -9.772 -5.140 -4.901 1.00 0.00 C ATOM 991 CE1 PHE A 65 -7.847 -4.937 -2.947 1.00 0.00 C ATOM 992 CE2 PHE A 65 -8.397 -5.325 -5.204 1.00 0.00 C ATOM 993 CZ PHE A 65 -7.464 -5.220 -4.221 1.00 0.00 C ATOM 0 H PHE A 65 -11.353 -6.577 -1.904 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.345 -3.790 -1.316 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -12.206 -5.483 -3.725 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.985 -3.746 -3.786 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.525 -4.525 -1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.513 -5.224 -5.682 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.106 -4.854 -2.166 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.093 -5.549 -6.216 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.418 -5.361 -4.452 1.00 0.00 H new ATOM 1003 N ASP A 66 -14.231 -5.266 -1.573 1.00 0.00 N ATOM 1004 CA ASP A 66 -15.663 -5.091 -1.396 1.00 0.00 C ATOM 1005 C ASP A 66 -15.916 -4.211 -0.170 1.00 0.00 C ATOM 1006 O ASP A 66 -16.971 -3.588 -0.057 1.00 0.00 O ATOM 1007 CB ASP A 66 -16.358 -6.434 -1.167 1.00 0.00 C ATOM 1008 CG ASP A 66 -17.812 -6.498 -1.640 1.00 0.00 C ATOM 1009 OD1 ASP A 66 -18.313 -5.441 -2.080 1.00 0.00 O ATOM 1010 OD2 ASP A 66 -18.389 -7.604 -1.551 1.00 0.00 O ATOM 0 H ASP A 66 -13.928 -6.236 -1.662 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.061 -4.630 -2.300 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.791 -7.212 -1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.327 -6.665 -0.102 1.00 0.00 H new ATOM 1015 N PHE A 67 -14.932 -4.190 0.717 1.00 0.00 N ATOM 1016 CA PHE A 67 -15.036 -3.397 1.930 1.00 0.00 C ATOM 1017 C PHE A 67 -14.406 -2.016 1.738 1.00 0.00 C ATOM 1018 O PHE A 67 -14.733 -1.075 2.459 1.00 0.00 O ATOM 1019 CB PHE A 67 -14.269 -4.147 3.021 1.00 0.00 C ATOM 1020 CG PHE A 67 -13.591 -3.234 4.045 1.00 0.00 C ATOM 1021 CD1 PHE A 67 -14.296 -2.767 5.110 1.00 0.00 C ATOM 1022 CD2 PHE A 67 -12.285 -2.890 3.890 1.00 0.00 C ATOM 1023 CE1 PHE A 67 -13.667 -1.920 6.061 1.00 0.00 C ATOM 1024 CE2 PHE A 67 -11.656 -2.043 4.840 1.00 0.00 C ATOM 1025 CZ PHE A 67 -12.360 -1.576 5.906 1.00 0.00 C ATOM 0 H PHE A 67 -14.059 -4.709 0.620 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.084 -3.255 2.193 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -14.957 -4.813 3.542 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -13.512 -4.775 2.552 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.334 -3.040 5.233 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.726 -3.261 3.044 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -14.226 -1.549 6.907 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.619 -1.769 4.716 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.881 -0.932 6.629 1.00 0.00 H new ATOM 1035 N ILE A 68 -13.514 -1.938 0.762 1.00 0.00 N ATOM 1036 CA ILE A 68 -12.835 -0.688 0.466 1.00 0.00 C ATOM 1037 C ILE A 68 -13.861 0.345 -0.004 1.00 0.00 C ATOM 1038 O ILE A 68 -13.977 1.421 0.581 1.00 0.00 O ATOM 1039 CB ILE A 68 -11.695 -0.919 -0.528 1.00 0.00 C ATOM 1040 CG1 ILE A 68 -10.447 -1.447 0.183 1.00 0.00 C ATOM 1041 CG2 ILE A 68 -11.403 0.349 -1.332 1.00 0.00 C ATOM 1042 CD1 ILE A 68 -9.376 -1.863 -0.827 1.00 0.00 C ATOM 0 H ILE A 68 -13.245 -2.721 0.166 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.366 -0.287 1.365 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.010 -1.684 -1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.049 -0.678 0.845 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.713 -2.299 0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.589 0.157 -2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.295 0.642 -1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.117 1.152 -0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.500 -2.234 -0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.770 -2.649 -1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.095 -1.003 -1.434 1.00 0.00 H new ATOM 1054 N ASP A 69 -14.579 -0.018 -1.057 1.00 0.00 N ATOM 1055 CA ASP A 69 -15.591 0.864 -1.613 1.00 0.00 C ATOM 1056 C ASP A 69 -16.540 1.310 -0.499 1.00 0.00 C ATOM 1057 O ASP A 69 -16.868 2.491 -0.394 1.00 0.00 O ATOM 1058 CB ASP A 69 -16.420 0.147 -2.681 1.00 0.00 C ATOM 1059 CG ASP A 69 -15.914 0.318 -4.115 1.00 0.00 C ATOM 1060 OD1 ASP A 69 -14.675 0.318 -4.283 1.00 0.00 O ATOM 1061 OD2 ASP A 69 -16.777 0.445 -5.010 1.00 0.00 O ATOM 0 H ASP A 69 -14.480 -0.911 -1.540 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.084 1.718 -2.063 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.446 -0.917 -2.445 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -17.446 0.511 -2.628 1.00 0.00 H new ATOM 1066 N ASP A 70 -16.954 0.342 0.305 1.00 0.00 N ATOM 1067 CA ASP A 70 -17.858 0.621 1.408 1.00 0.00 C ATOM 1068 C ASP A 70 -17.436 1.922 2.092 1.00 0.00 C ATOM 1069 O ASP A 70 -18.274 2.773 2.386 1.00 0.00 O ATOM 1070 CB ASP A 70 -17.816 -0.498 2.451 1.00 0.00 C ATOM 1071 CG ASP A 70 -19.034 -0.568 3.374 1.00 0.00 C ATOM 1072 OD1 ASP A 70 -20.138 -0.807 2.839 1.00 0.00 O ATOM 1073 OD2 ASP A 70 -18.833 -0.381 4.594 1.00 0.00 O ATOM 0 H ASP A 70 -16.680 -0.636 0.215 1.00 0.00 H new ATOM 0 HA ASP A 70 -18.868 0.700 1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -17.715 -1.452 1.934 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.923 -0.371 3.062 1.00 0.00 H new ATOM 1078 N LEU A 71 -16.137 2.036 2.326 1.00 0.00 N ATOM 1079 CA LEU A 71 -15.593 3.219 2.970 1.00 0.00 C ATOM 1080 C LEU A 71 -16.136 4.469 2.274 1.00 0.00 C ATOM 1081 O LEU A 71 -16.681 4.384 1.174 1.00 0.00 O ATOM 1082 CB LEU A 71 -14.065 3.153 3.011 1.00 0.00 C ATOM 1083 CG LEU A 71 -13.465 2.009 3.831 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -11.989 1.803 3.486 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -13.678 2.237 5.329 1.00 0.00 C ATOM 0 H LEU A 71 -15.445 1.328 2.081 1.00 0.00 H new ATOM 0 HA LEU A 71 -15.915 3.268 4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.697 3.072 1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.691 4.095 3.411 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.988 1.089 3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.587 0.984 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.893 1.562 2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.434 2.716 3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.242 1.409 5.889 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.198 3.169 5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.746 2.295 5.540 1.00 0.00 H new ATOM 1097 N ALA A 72 -15.969 5.600 2.943 1.00 0.00 N ATOM 1098 CA ALA A 72 -16.435 6.865 2.402 1.00 0.00 C ATOM 1099 C ALA A 72 -15.458 7.347 1.327 1.00 0.00 C ATOM 1100 O ALA A 72 -15.852 8.044 0.393 1.00 0.00 O ATOM 1101 CB ALA A 72 -16.598 7.877 3.538 1.00 0.00 C ATOM 0 H ALA A 72 -15.517 5.667 3.855 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.410 6.744 1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.948 8.826 3.132 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -17.324 7.501 4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.639 8.026 4.033 1.00 0.00 H new ATOM 1107 N ASP A 73 -14.203 6.957 1.496 1.00 0.00 N ATOM 1108 CA ASP A 73 -13.167 7.340 0.552 1.00 0.00 C ATOM 1109 C ASP A 73 -11.794 7.080 1.176 1.00 0.00 C ATOM 1110 O ASP A 73 -11.379 7.791 2.090 1.00 0.00 O ATOM 1111 CB ASP A 73 -13.257 8.828 0.209 1.00 0.00 C ATOM 1112 CG ASP A 73 -11.983 9.434 -0.382 1.00 0.00 C ATOM 1113 OD1 ASP A 73 -11.855 9.385 -1.624 1.00 0.00 O ATOM 1114 OD2 ASP A 73 -11.165 9.932 0.422 1.00 0.00 O ATOM 0 H ASP A 73 -13.880 6.380 2.273 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.304 6.752 -0.356 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.073 8.973 -0.499 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.518 9.379 1.113 1.00 0.00 H new ATOM 1119 N LEU A 74 -11.127 6.060 0.656 1.00 0.00 N ATOM 1120 CA LEU A 74 -9.810 5.698 1.151 1.00 0.00 C ATOM 1121 C LEU A 74 -8.744 6.251 0.202 1.00 0.00 C ATOM 1122 O LEU A 74 -8.840 6.081 -1.012 1.00 0.00 O ATOM 1123 CB LEU A 74 -9.715 4.187 1.367 1.00 0.00 C ATOM 1124 CG LEU A 74 -8.305 3.622 1.553 1.00 0.00 C ATOM 1125 CD1 LEU A 74 -7.964 3.478 3.038 1.00 0.00 C ATOM 1126 CD2 LEU A 74 -8.138 2.304 0.795 1.00 0.00 C ATOM 0 H LEU A 74 -11.474 5.473 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.634 6.148 2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.307 3.928 2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.175 3.689 0.514 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.594 4.330 1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.957 3.075 3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.016 4.455 3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.676 2.802 3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.127 1.924 0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.858 1.576 1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.310 2.472 -0.268 1.00 0.00 H new ATOM 1138 N SER A 75 -7.753 6.902 0.792 1.00 0.00 N ATOM 1139 CA SER A 75 -6.670 7.481 0.015 1.00 0.00 C ATOM 1140 C SER A 75 -5.329 7.198 0.694 1.00 0.00 C ATOM 1141 O SER A 75 -5.285 6.583 1.758 1.00 0.00 O ATOM 1142 CB SER A 75 -6.866 8.988 -0.165 1.00 0.00 C ATOM 1143 OG SER A 75 -7.849 9.509 0.726 1.00 0.00 O ATOM 0 H SER A 75 -7.677 7.042 1.800 1.00 0.00 H new ATOM 0 HA SER A 75 -6.674 7.021 -0.973 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.918 9.499 0.002 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.163 9.195 -1.193 1.00 0.00 H new ATOM 0 HG SER A 75 -7.944 10.474 0.581 1.00 0.00 H new ATOM 1149 N CYS A 76 -4.267 7.660 0.050 1.00 0.00 N ATOM 1150 CA CYS A 76 -2.927 7.463 0.578 1.00 0.00 C ATOM 1151 C CYS A 76 -2.008 8.518 -0.041 1.00 0.00 C ATOM 1152 O CYS A 76 -2.342 9.116 -1.062 1.00 0.00 O ATOM 1153 CB CYS A 76 -2.421 6.043 0.322 1.00 0.00 C ATOM 1154 SG CYS A 76 -2.525 5.654 -1.463 1.00 0.00 S ATOM 0 H CYS A 76 -4.307 8.170 -0.832 1.00 0.00 H new ATOM 0 HA CYS A 76 -2.938 7.583 1.661 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.390 5.948 0.664 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.013 5.328 0.893 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.355 5.806 -2.009 1.00 0.00 H new ATOM 1160 N LEU A 77 -0.866 8.713 0.604 1.00 0.00 N ATOM 1161 CA LEU A 77 0.104 9.684 0.129 1.00 0.00 C ATOM 1162 C LEU A 77 1.480 9.022 0.039 1.00 0.00 C ATOM 1163 O LEU A 77 1.924 8.372 0.985 1.00 0.00 O ATOM 1164 CB LEU A 77 0.081 10.937 1.007 1.00 0.00 C ATOM 1165 CG LEU A 77 -1.239 11.711 1.037 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -1.762 11.957 -0.379 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -2.271 11.000 1.915 1.00 0.00 C ATOM 0 H LEU A 77 -0.592 8.215 1.451 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.154 10.021 -0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.332 10.646 2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.867 11.611 0.665 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.053 12.687 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.701 12.509 -0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.030 12.536 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.928 11.002 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.200 11.570 1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.460 10.002 1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.889 10.920 2.933 1.00 0.00 H new ATOM 1179 N VAL A 78 2.118 9.209 -1.107 1.00 0.00 N ATOM 1180 CA VAL A 78 3.435 8.638 -1.333 1.00 0.00 C ATOM 1181 C VAL A 78 4.472 9.762 -1.381 1.00 0.00 C ATOM 1182 O VAL A 78 4.285 10.755 -2.083 1.00 0.00 O ATOM 1183 CB VAL A 78 3.423 7.781 -2.600 1.00 0.00 C ATOM 1184 CG1 VAL A 78 4.756 7.052 -2.782 1.00 0.00 C ATOM 1185 CG2 VAL A 78 2.255 6.793 -2.583 1.00 0.00 C ATOM 0 H VAL A 78 1.747 9.748 -1.889 1.00 0.00 H new ATOM 0 HA VAL A 78 3.711 7.976 -0.512 1.00 0.00 H new ATOM 0 HB VAL A 78 3.286 8.446 -3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.720 6.450 -3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.562 7.782 -2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.937 6.404 -1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.270 6.196 -3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.347 6.136 -1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.315 7.342 -2.524 1.00 0.00 H new ATOM 1195 N TYR A 79 5.543 9.568 -0.626 1.00 0.00 N ATOM 1196 CA TYR A 79 6.610 10.553 -0.574 1.00 0.00 C ATOM 1197 C TYR A 79 7.723 10.208 -1.566 1.00 0.00 C ATOM 1198 O TYR A 79 8.241 9.093 -1.560 1.00 0.00 O ATOM 1199 CB TYR A 79 7.173 10.489 0.848 1.00 0.00 C ATOM 1200 CG TYR A 79 7.840 11.786 1.311 1.00 0.00 C ATOM 1201 CD1 TYR A 79 9.000 12.221 0.702 1.00 0.00 C ATOM 1202 CD2 TYR A 79 7.283 12.520 2.338 1.00 0.00 C ATOM 1203 CE1 TYR A 79 9.628 13.441 1.138 1.00 0.00 C ATOM 1204 CE2 TYR A 79 7.911 13.741 2.774 1.00 0.00 C ATOM 1205 CZ TYR A 79 9.052 14.141 2.153 1.00 0.00 C ATOM 1206 OH TYR A 79 9.646 15.293 2.565 1.00 0.00 O ATOM 0 H TYR A 79 5.695 8.743 -0.045 1.00 0.00 H new ATOM 0 HA TYR A 79 6.232 11.543 -0.831 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.365 10.242 1.537 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.900 9.678 0.904 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.436 11.646 -0.101 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.376 12.179 2.815 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.536 13.793 0.670 1.00 0.00 H new ATOM 0 HE2 TYR A 79 7.485 14.325 3.576 1.00 0.00 H new ATOM 0 HH TYR A 79 9.125 15.687 3.295 1.00 0.00 H new ATOM 1216 N ARG A 80 8.058 11.187 -2.393 1.00 0.00 N ATOM 1217 CA ARG A 80 9.100 11.002 -3.389 1.00 0.00 C ATOM 1218 C ARG A 80 10.162 12.096 -3.256 1.00 0.00 C ATOM 1219 O ARG A 80 10.077 13.131 -3.914 1.00 0.00 O ATOM 1220 CB ARG A 80 8.520 11.033 -4.805 1.00 0.00 C ATOM 1221 CG ARG A 80 7.341 12.004 -4.893 1.00 0.00 C ATOM 1222 CD ARG A 80 6.983 12.300 -6.351 1.00 0.00 C ATOM 1223 NE ARG A 80 6.002 11.307 -6.843 1.00 0.00 N ATOM 1224 CZ ARG A 80 6.333 10.108 -7.344 1.00 0.00 C ATOM 1225 NH1 ARG A 80 7.621 9.747 -7.422 1.00 0.00 N ATOM 1226 NH2 ARG A 80 5.375 9.271 -7.766 1.00 0.00 N ATOM 0 H ARG A 80 7.626 12.111 -2.394 1.00 0.00 H new ATOM 0 HA ARG A 80 9.555 10.027 -3.216 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.294 11.330 -5.513 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.194 10.033 -5.090 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.477 11.580 -4.381 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.591 12.933 -4.380 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.569 13.305 -6.436 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.881 12.272 -6.968 1.00 0.00 H new ATOM 0 HE ARG A 80 5.012 11.550 -6.798 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.350 10.384 -7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.873 8.835 -7.803 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.395 9.546 -7.706 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.626 8.359 -8.147 1.00 0.00 H new ATOM 1240 N ALA A 81 11.137 11.828 -2.400 1.00 0.00 N ATOM 1241 CA ALA A 81 12.214 12.776 -2.172 1.00 0.00 C ATOM 1242 C ALA A 81 12.690 13.333 -3.516 1.00 0.00 C ATOM 1243 O ALA A 81 13.185 14.457 -3.586 1.00 0.00 O ATOM 1244 CB ALA A 81 13.339 12.093 -1.392 1.00 0.00 C ATOM 0 H ALA A 81 11.204 10.968 -1.856 1.00 0.00 H new ATOM 0 HA ALA A 81 11.865 13.616 -1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 81 14.147 12.804 -1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.956 11.742 -0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 81 13.717 11.246 -1.965 1.00 0.00 H new ATOM 1250 N ASP A 82 12.525 12.520 -4.549 1.00 0.00 N ATOM 1251 CA ASP A 82 12.932 12.917 -5.886 1.00 0.00 C ATOM 1252 C ASP A 82 12.366 14.304 -6.196 1.00 0.00 C ATOM 1253 O ASP A 82 13.064 15.155 -6.746 1.00 0.00 O ATOM 1254 CB ASP A 82 12.396 11.942 -6.937 1.00 0.00 C ATOM 1255 CG ASP A 82 13.408 10.910 -7.436 1.00 0.00 C ATOM 1256 OD1 ASP A 82 14.099 10.328 -6.572 1.00 0.00 O ATOM 1257 OD2 ASP A 82 13.469 10.725 -8.671 1.00 0.00 O ATOM 0 H ASP A 82 12.115 11.588 -4.487 1.00 0.00 H new ATOM 0 HA ASP A 82 14.021 12.921 -5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 82 11.539 11.415 -6.518 1.00 0.00 H new ATOM 0 HB3 ASP A 82 12.033 12.515 -7.790 1.00 0.00 H new ATOM 1262 N THR A 83 11.106 14.490 -5.829 1.00 0.00 N ATOM 1263 CA THR A 83 10.438 15.759 -6.061 1.00 0.00 C ATOM 1264 C THR A 83 10.034 16.400 -4.732 1.00 0.00 C ATOM 1265 O THR A 83 9.590 17.547 -4.701 1.00 0.00 O ATOM 1266 CB THR A 83 9.256 15.507 -6.999 1.00 0.00 C ATOM 1267 OG1 THR A 83 8.515 14.476 -6.353 1.00 0.00 O ATOM 1268 CG2 THR A 83 9.685 14.882 -8.328 1.00 0.00 C ATOM 0 H THR A 83 10.530 13.782 -5.372 1.00 0.00 H new ATOM 0 HA THR A 83 11.105 16.475 -6.541 1.00 0.00 H new ATOM 0 HB THR A 83 8.738 16.447 -7.191 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.254 14.774 -5.457 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.808 14.724 -8.956 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.380 15.550 -8.837 1.00 0.00 H new ATOM 0 HG23 THR A 83 10.173 13.926 -8.140 1.00 0.00 H new ATOM 1276 N GLN A 84 10.203 15.631 -3.666 1.00 0.00 N ATOM 1277 CA GLN A 84 9.861 16.110 -2.337 1.00 0.00 C ATOM 1278 C GLN A 84 8.406 16.581 -2.301 1.00 0.00 C ATOM 1279 O GLN A 84 8.138 17.767 -2.111 1.00 0.00 O ATOM 1280 CB GLN A 84 10.810 17.226 -1.895 1.00 0.00 C ATOM 1281 CG GLN A 84 12.065 16.649 -1.236 1.00 0.00 C ATOM 1282 CD GLN A 84 12.062 16.912 0.271 1.00 0.00 C ATOM 1283 OE1 GLN A 84 11.564 17.917 0.751 1.00 0.00 O ATOM 1284 NE2 GLN A 84 12.645 15.955 0.988 1.00 0.00 N ATOM 0 H GLN A 84 10.572 14.680 -3.695 1.00 0.00 H new ATOM 0 HA GLN A 84 9.973 15.284 -1.634 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.093 17.831 -2.757 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.299 17.887 -1.195 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.117 15.576 -1.422 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.953 17.094 -1.685 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.042 15.139 0.522 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.695 16.037 2.003 1.00 0.00 H new ATOM 1293 N THR A 85 7.504 15.628 -2.485 1.00 0.00 N ATOM 1294 CA THR A 85 6.083 15.931 -2.475 1.00 0.00 C ATOM 1295 C THR A 85 5.269 14.660 -2.224 1.00 0.00 C ATOM 1296 O THR A 85 5.812 13.557 -2.242 1.00 0.00 O ATOM 1297 CB THR A 85 5.738 16.622 -3.796 1.00 0.00 C ATOM 1298 OG1 THR A 85 4.533 17.328 -3.514 1.00 0.00 O ATOM 1299 CG2 THR A 85 5.341 15.629 -4.890 1.00 0.00 C ATOM 0 H THR A 85 7.730 14.646 -2.642 1.00 0.00 H new ATOM 0 HA THR A 85 5.829 16.609 -1.660 1.00 0.00 H new ATOM 0 HB THR A 85 6.592 17.210 -4.132 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.239 17.807 -4.317 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.106 16.171 -5.806 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.167 14.943 -5.076 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.466 15.064 -4.569 1.00 0.00 H new ATOM 1307 N TYR A 86 3.979 14.858 -1.996 1.00 0.00 N ATOM 1308 CA TYR A 86 3.084 13.742 -1.741 1.00 0.00 C ATOM 1309 C TYR A 86 2.043 13.608 -2.854 1.00 0.00 C ATOM 1310 O TYR A 86 1.379 14.581 -3.208 1.00 0.00 O ATOM 1311 CB TYR A 86 2.369 14.065 -0.427 1.00 0.00 C ATOM 1312 CG TYR A 86 1.338 15.190 -0.540 1.00 0.00 C ATOM 1313 CD1 TYR A 86 1.752 16.506 -0.557 1.00 0.00 C ATOM 1314 CD2 TYR A 86 -0.006 14.888 -0.626 1.00 0.00 C ATOM 1315 CE1 TYR A 86 0.782 17.565 -0.663 1.00 0.00 C ATOM 1316 CE2 TYR A 86 -0.976 15.946 -0.733 1.00 0.00 C ATOM 1317 CZ TYR A 86 -0.535 17.233 -0.746 1.00 0.00 C ATOM 1318 OH TYR A 86 -1.451 18.232 -0.847 1.00 0.00 O ATOM 0 H TYR A 86 3.532 15.775 -1.983 1.00 0.00 H new ATOM 0 HA TYR A 86 3.642 12.807 -1.694 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.872 13.165 -0.065 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.112 14.341 0.321 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.804 16.742 -0.491 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.330 13.858 -0.613 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.093 18.599 -0.676 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.031 15.723 -0.801 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.351 17.847 -0.899 1.00 0.00 H new ATOM 1328 N GLN A 87 1.933 12.395 -3.375 1.00 0.00 N ATOM 1329 CA GLN A 87 0.984 12.121 -4.441 1.00 0.00 C ATOM 1330 C GLN A 87 -0.298 11.516 -3.867 1.00 0.00 C ATOM 1331 O GLN A 87 -0.293 10.386 -3.382 1.00 0.00 O ATOM 1332 CB GLN A 87 1.598 11.202 -5.499 1.00 0.00 C ATOM 1333 CG GLN A 87 2.283 12.015 -6.600 1.00 0.00 C ATOM 1334 CD GLN A 87 1.251 12.647 -7.537 1.00 0.00 C ATOM 1335 OE1 GLN A 87 1.130 13.856 -7.643 1.00 0.00 O ATOM 1336 NE2 GLN A 87 0.517 11.764 -8.208 1.00 0.00 N ATOM 0 H GLN A 87 2.485 11.590 -3.079 1.00 0.00 H new ATOM 0 HA GLN A 87 0.732 13.063 -4.928 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.322 10.535 -5.031 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.821 10.574 -5.935 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.898 12.795 -6.152 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.951 11.370 -7.171 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.670 10.765 -8.072 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -0.199 12.086 -8.859 1.00 0.00 H new ATOM 1345 N PRO A 88 -1.396 12.316 -3.944 1.00 0.00 N ATOM 1346 CA PRO A 88 -2.683 11.871 -3.439 1.00 0.00 C ATOM 1347 C PRO A 88 -3.319 10.849 -4.383 1.00 0.00 C ATOM 1348 O PRO A 88 -3.774 11.201 -5.470 1.00 0.00 O ATOM 1349 CB PRO A 88 -3.508 13.139 -3.293 1.00 0.00 C ATOM 1350 CG PRO A 88 -2.820 14.185 -4.155 1.00 0.00 C ATOM 1351 CD PRO A 88 -1.439 13.660 -4.513 1.00 0.00 C ATOM 0 HA PRO A 88 -2.603 11.351 -2.484 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.535 12.977 -3.621 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.552 13.458 -2.252 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -3.401 14.378 -5.057 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.742 15.130 -3.618 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.291 13.638 -5.593 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.655 14.292 -4.097 1.00 0.00 H new ATOM 1359 N TYR A 89 -3.331 9.603 -3.933 1.00 0.00 N ATOM 1360 CA TYR A 89 -3.905 8.527 -4.724 1.00 0.00 C ATOM 1361 C TYR A 89 -5.244 8.071 -4.141 1.00 0.00 C ATOM 1362 O TYR A 89 -5.505 8.261 -2.954 1.00 0.00 O ATOM 1363 CB TYR A 89 -2.907 7.369 -4.646 1.00 0.00 C ATOM 1364 CG TYR A 89 -1.552 7.671 -5.288 1.00 0.00 C ATOM 1365 CD1 TYR A 89 -1.380 7.503 -6.647 1.00 0.00 C ATOM 1366 CD2 TYR A 89 -0.502 8.111 -4.509 1.00 0.00 C ATOM 1367 CE1 TYR A 89 -0.104 7.787 -7.252 1.00 0.00 C ATOM 1368 CE2 TYR A 89 0.774 8.395 -5.113 1.00 0.00 C ATOM 1369 CZ TYR A 89 0.910 8.219 -6.455 1.00 0.00 C ATOM 1370 OH TYR A 89 2.115 8.488 -7.026 1.00 0.00 O ATOM 0 H TYR A 89 -2.953 9.314 -3.031 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.085 8.857 -5.747 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.751 7.107 -3.599 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.341 6.495 -5.132 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.202 7.159 -7.257 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.637 8.243 -3.446 1.00 0.00 H new ATOM 0 HE1 TYR A 89 0.044 7.660 -8.314 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.604 8.740 -4.514 1.00 0.00 H new ATOM 0 HH TYR A 89 2.744 8.788 -6.337 1.00 0.00 H new ATOM 1380 N ASN A 90 -6.057 7.478 -5.003 1.00 0.00 N ATOM 1381 CA ASN A 90 -7.362 6.994 -4.588 1.00 0.00 C ATOM 1382 C ASN A 90 -7.242 5.535 -4.142 1.00 0.00 C ATOM 1383 O ASN A 90 -6.216 4.896 -4.367 1.00 0.00 O ATOM 1384 CB ASN A 90 -8.365 7.054 -5.742 1.00 0.00 C ATOM 1385 CG ASN A 90 -8.334 8.424 -6.424 1.00 0.00 C ATOM 1386 OD1 ASN A 90 -7.407 8.771 -7.137 1.00 0.00 O ATOM 1387 ND2 ASN A 90 -9.397 9.181 -6.165 1.00 0.00 N ATOM 0 H ASN A 90 -5.837 7.322 -5.987 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.712 7.627 -3.773 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.135 6.276 -6.470 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.369 6.853 -5.367 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -9.471 10.113 -6.573 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.138 8.829 -5.559 1.00 0.00 H new ATOM 1394 N LYS A 91 -8.306 5.051 -3.518 1.00 0.00 N ATOM 1395 CA LYS A 91 -8.333 3.679 -3.039 1.00 0.00 C ATOM 1396 C LYS A 91 -8.035 2.731 -4.203 1.00 0.00 C ATOM 1397 O LYS A 91 -7.356 1.721 -4.026 1.00 0.00 O ATOM 1398 CB LYS A 91 -9.656 3.385 -2.330 1.00 0.00 C ATOM 1399 CG LYS A 91 -10.847 3.717 -3.231 1.00 0.00 C ATOM 1400 CD LYS A 91 -12.148 3.163 -2.647 1.00 0.00 C ATOM 1401 CE LYS A 91 -13.178 4.277 -2.446 1.00 0.00 C ATOM 1402 NZ LYS A 91 -13.887 4.561 -3.713 1.00 0.00 N ATOM 0 H LYS A 91 -9.156 5.584 -3.333 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.556 3.521 -2.292 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.694 2.334 -2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.717 3.968 -1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.928 4.798 -3.349 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.683 3.299 -4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.555 2.403 -3.314 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.944 2.675 -1.694 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.895 3.984 -1.679 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.682 5.180 -2.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.582 5.319 -3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.201 4.861 -4.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.377 3.703 -4.037 1.00 0.00 H new ATOM 1416 N ASP A 92 -8.558 3.091 -5.366 1.00 0.00 N ATOM 1417 CA ASP A 92 -8.357 2.285 -6.558 1.00 0.00 C ATOM 1418 C ASP A 92 -6.860 2.037 -6.754 1.00 0.00 C ATOM 1419 O ASP A 92 -6.442 0.908 -7.008 1.00 0.00 O ATOM 1420 CB ASP A 92 -8.885 3.001 -7.803 1.00 0.00 C ATOM 1421 CG ASP A 92 -9.922 2.217 -8.608 1.00 0.00 C ATOM 1422 OD1 ASP A 92 -11.106 2.265 -8.208 1.00 0.00 O ATOM 1423 OD2 ASP A 92 -9.509 1.587 -9.606 1.00 0.00 O ATOM 0 H ASP A 92 -9.121 3.930 -5.508 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.896 1.347 -6.426 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.325 3.950 -7.498 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.043 3.235 -8.454 1.00 0.00 H new ATOM 1428 N TRP A 93 -6.093 3.111 -6.629 1.00 0.00 N ATOM 1429 CA TRP A 93 -4.652 3.024 -6.789 1.00 0.00 C ATOM 1430 C TRP A 93 -4.135 1.938 -5.844 1.00 0.00 C ATOM 1431 O TRP A 93 -3.454 1.008 -6.274 1.00 0.00 O ATOM 1432 CB TRP A 93 -3.991 4.384 -6.555 1.00 0.00 C ATOM 1433 CG TRP A 93 -2.479 4.389 -6.785 1.00 0.00 C ATOM 1434 CD1 TRP A 93 -1.821 4.304 -7.949 1.00 0.00 C ATOM 1435 CD2 TRP A 93 -1.455 4.490 -5.772 1.00 0.00 C ATOM 1436 NE1 TRP A 93 -0.455 4.341 -7.762 1.00 0.00 N ATOM 1437 CE2 TRP A 93 -0.225 4.458 -6.396 1.00 0.00 C ATOM 1438 CE3 TRP A 93 -1.566 4.603 -4.375 1.00 0.00 C ATOM 1439 CZ2 TRP A 93 0.989 4.535 -5.703 1.00 0.00 C ATOM 1440 CZ3 TRP A 93 -0.344 4.679 -3.697 1.00 0.00 C ATOM 1441 CH2 TRP A 93 0.903 4.649 -4.310 1.00 0.00 C ATOM 0 H TRP A 93 -6.443 4.046 -6.419 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.394 2.747 -7.811 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.451 5.119 -7.216 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -4.194 4.704 -5.533 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -2.300 4.217 -8.913 1.00 0.00 H new ATOM 0 HE1 TRP A 93 0.256 4.292 -8.492 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -2.518 4.629 -3.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 1.940 4.508 -6.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -0.372 4.767 -2.621 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.802 4.713 -3.715 1.00 0.00 H new ATOM 1452 N ILE A 94 -4.480 2.090 -4.574 1.00 0.00 N ATOM 1453 CA ILE A 94 -4.060 1.134 -3.564 1.00 0.00 C ATOM 1454 C ILE A 94 -4.551 -0.262 -3.954 1.00 0.00 C ATOM 1455 O ILE A 94 -3.759 -1.199 -4.047 1.00 0.00 O ATOM 1456 CB ILE A 94 -4.522 1.583 -2.176 1.00 0.00 C ATOM 1457 CG1 ILE A 94 -3.949 2.958 -1.825 1.00 0.00 C ATOM 1458 CG2 ILE A 94 -4.178 0.532 -1.118 1.00 0.00 C ATOM 1459 CD1 ILE A 94 -5.063 3.934 -1.442 1.00 0.00 C ATOM 0 H ILE A 94 -5.046 2.862 -4.221 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.972 1.087 -3.513 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.607 1.681 -2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.244 2.862 -0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.392 3.352 -2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.517 0.875 -0.141 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.673 -0.408 -1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.099 0.379 -1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.629 4.903 -1.197 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.752 4.046 -2.279 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.602 3.549 -0.577 1.00 0.00 H new ATOM 1471 N LYS A 95 -5.854 -0.356 -4.171 1.00 0.00 N ATOM 1472 CA LYS A 95 -6.460 -1.622 -4.549 1.00 0.00 C ATOM 1473 C LYS A 95 -5.489 -2.402 -5.437 1.00 0.00 C ATOM 1474 O LYS A 95 -5.417 -3.627 -5.357 1.00 0.00 O ATOM 1475 CB LYS A 95 -7.829 -1.390 -5.191 1.00 0.00 C ATOM 1476 CG LYS A 95 -8.841 -0.888 -4.159 1.00 0.00 C ATOM 1477 CD LYS A 95 -10.214 -1.526 -4.382 1.00 0.00 C ATOM 1478 CE LYS A 95 -10.859 -1.002 -5.667 1.00 0.00 C ATOM 1479 NZ LYS A 95 -12.180 -1.635 -5.879 1.00 0.00 N ATOM 0 H LYS A 95 -6.507 0.423 -4.092 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.647 -2.233 -3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.737 -0.664 -5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.188 -2.318 -5.636 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.487 -1.120 -3.155 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.925 0.197 -4.225 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.111 -2.610 -4.438 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.861 -1.311 -3.532 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.973 0.080 -5.609 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.209 -1.209 -6.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.604 -1.268 -6.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.063 -2.666 -5.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.803 -1.416 -5.075 1.00 0.00 H new ATOM 1493 N GLU A 96 -4.766 -1.660 -6.263 1.00 0.00 N ATOM 1494 CA GLU A 96 -3.802 -2.267 -7.166 1.00 0.00 C ATOM 1495 C GLU A 96 -2.538 -2.667 -6.401 1.00 0.00 C ATOM 1496 O GLU A 96 -2.131 -3.827 -6.432 1.00 0.00 O ATOM 1497 CB GLU A 96 -3.468 -1.326 -8.325 1.00 0.00 C ATOM 1498 CG GLU A 96 -4.734 -0.909 -9.075 1.00 0.00 C ATOM 1499 CD GLU A 96 -5.022 -1.862 -10.237 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -5.446 -3.001 -9.945 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -4.811 -1.431 -11.391 1.00 0.00 O ATOM 0 H GLU A 96 -4.828 -0.644 -6.326 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.247 -3.167 -7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -2.959 -0.441 -7.944 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -2.780 -1.819 -9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.581 -0.900 -8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.619 0.107 -9.453 1.00 0.00 H new ATOM 1508 N LYS A 97 -1.953 -1.683 -5.734 1.00 0.00 N ATOM 1509 CA LYS A 97 -0.744 -1.918 -4.963 1.00 0.00 C ATOM 1510 C LYS A 97 -0.975 -3.087 -4.003 1.00 0.00 C ATOM 1511 O LYS A 97 -0.209 -4.050 -3.997 1.00 0.00 O ATOM 1512 CB LYS A 97 -0.294 -0.631 -4.268 1.00 0.00 C ATOM 1513 CG LYS A 97 0.952 -0.051 -4.942 1.00 0.00 C ATOM 1514 CD LYS A 97 0.727 0.135 -6.443 1.00 0.00 C ATOM 1515 CE LYS A 97 0.178 1.531 -6.746 1.00 0.00 C ATOM 1516 NZ LYS A 97 0.260 1.817 -8.196 1.00 0.00 N ATOM 0 H LYS A 97 -2.294 -0.722 -5.711 1.00 0.00 H new ATOM 0 HA LYS A 97 0.078 -2.203 -5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.100 0.102 -4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.083 -0.835 -3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.203 0.907 -4.487 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.801 -0.715 -4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.666 -0.014 -6.976 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.030 -0.620 -6.806 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.858 1.601 -6.414 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.743 2.279 -6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.335 2.640 -8.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.246 2.022 -8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.074 0.991 -8.732 1.00 0.00 H new ATOM 1530 N ILE A 98 -2.033 -2.964 -3.215 1.00 0.00 N ATOM 1531 CA ILE A 98 -2.374 -3.998 -2.254 1.00 0.00 C ATOM 1532 C ILE A 98 -2.451 -5.348 -2.969 1.00 0.00 C ATOM 1533 O ILE A 98 -1.940 -6.350 -2.469 1.00 0.00 O ATOM 1534 CB ILE A 98 -3.653 -3.628 -1.500 1.00 0.00 C ATOM 1535 CG1 ILE A 98 -4.210 -4.834 -0.741 1.00 0.00 C ATOM 1536 CG2 ILE A 98 -4.689 -3.017 -2.445 1.00 0.00 C ATOM 1537 CD1 ILE A 98 -5.322 -4.411 0.221 1.00 0.00 C ATOM 0 H ILE A 98 -2.665 -2.164 -3.223 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.597 -4.083 -1.495 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.405 -2.868 -0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.596 -5.567 -1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.408 -5.320 -0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.588 -2.763 -1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.279 -2.116 -2.901 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.939 -3.736 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.700 -5.287 0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.926 -3.697 0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.133 -3.948 -0.341 1.00 0.00 H new ATOM 1549 N TYR A 99 -3.092 -5.332 -4.128 1.00 0.00 N ATOM 1550 CA TYR A 99 -3.242 -6.543 -4.917 1.00 0.00 C ATOM 1551 C TYR A 99 -1.886 -7.041 -5.421 1.00 0.00 C ATOM 1552 O TYR A 99 -1.470 -8.152 -5.099 1.00 0.00 O ATOM 1553 CB TYR A 99 -4.110 -6.159 -6.118 1.00 0.00 C ATOM 1554 CG TYR A 99 -3.987 -7.115 -7.306 1.00 0.00 C ATOM 1555 CD1 TYR A 99 -4.642 -8.330 -7.285 1.00 0.00 C ATOM 1556 CD2 TYR A 99 -3.220 -6.764 -8.398 1.00 0.00 C ATOM 1557 CE1 TYR A 99 -4.526 -9.230 -8.403 1.00 0.00 C ATOM 1558 CE2 TYR A 99 -3.104 -7.664 -9.516 1.00 0.00 C ATOM 1559 CZ TYR A 99 -3.763 -8.852 -9.463 1.00 0.00 C ATOM 1560 OH TYR A 99 -3.653 -9.702 -10.519 1.00 0.00 O ATOM 0 H TYR A 99 -3.514 -4.500 -4.540 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.685 -7.339 -4.318 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.153 -6.121 -5.802 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.838 -5.155 -6.443 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -5.241 -8.606 -6.430 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.707 -5.814 -8.414 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -5.033 -10.183 -8.400 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.507 -7.401 -10.377 1.00 0.00 H new ATOM 0 HH TYR A 99 -3.078 -9.300 -11.204 1.00 0.00 H new ATOM 1570 N VAL A 100 -1.235 -6.193 -6.204 1.00 0.00 N ATOM 1571 CA VAL A 100 0.066 -6.533 -6.756 1.00 0.00 C ATOM 1572 C VAL A 100 1.030 -6.858 -5.614 1.00 0.00 C ATOM 1573 O VAL A 100 2.007 -7.580 -5.808 1.00 0.00 O ATOM 1574 CB VAL A 100 0.564 -5.400 -7.656 1.00 0.00 C ATOM 1575 CG1 VAL A 100 1.919 -5.749 -8.276 1.00 0.00 C ATOM 1576 CG2 VAL A 100 -0.464 -5.066 -8.738 1.00 0.00 C ATOM 0 H VAL A 100 -1.584 -5.272 -6.469 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.005 -7.421 -7.384 1.00 0.00 H new ATOM 0 HB VAL A 100 0.697 -4.513 -7.036 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.251 -4.928 -8.911 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.650 -5.914 -7.484 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.823 -6.655 -8.875 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.085 -4.258 -9.363 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.644 -5.947 -9.354 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.397 -4.755 -8.269 1.00 0.00 H new ATOM 1586 N LEU A 101 0.723 -6.309 -4.448 1.00 0.00 N ATOM 1587 CA LEU A 101 1.551 -6.531 -3.275 1.00 0.00 C ATOM 1588 C LEU A 101 1.518 -8.016 -2.907 1.00 0.00 C ATOM 1589 O LEU A 101 2.521 -8.571 -2.461 1.00 0.00 O ATOM 1590 CB LEU A 101 1.123 -5.606 -2.134 1.00 0.00 C ATOM 1591 CG LEU A 101 1.501 -6.061 -0.723 1.00 0.00 C ATOM 1592 CD1 LEU A 101 2.786 -5.377 -0.252 1.00 0.00 C ATOM 1593 CD2 LEU A 101 0.344 -5.841 0.253 1.00 0.00 C ATOM 0 H LEU A 101 -0.088 -5.711 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 101 2.589 -6.277 -3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.561 -4.623 -2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.041 -5.485 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 101 1.698 -7.133 -0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.032 -5.718 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.602 -5.628 -0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.641 -4.297 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.639 -6.173 1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.091 -4.781 0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.524 -6.412 -0.077 1.00 0.00 H new ATOM 1605 N LEU A 102 0.355 -8.617 -3.108 1.00 0.00 N ATOM 1606 CA LEU A 102 0.178 -10.027 -2.803 1.00 0.00 C ATOM 1607 C LEU A 102 0.694 -10.866 -3.974 1.00 0.00 C ATOM 1608 O LEU A 102 1.223 -11.958 -3.775 1.00 0.00 O ATOM 1609 CB LEU A 102 -1.278 -10.317 -2.433 1.00 0.00 C ATOM 1610 CG LEU A 102 -1.787 -9.659 -1.149 1.00 0.00 C ATOM 1611 CD1 LEU A 102 -0.629 -9.089 -0.329 1.00 0.00 C ATOM 1612 CD2 LEU A 102 -2.846 -8.599 -1.460 1.00 0.00 C ATOM 0 H LEU A 102 -0.475 -8.153 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 102 0.766 -10.304 -1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.913 -9.996 -3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.400 -11.396 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.267 -10.425 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.018 -8.627 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.057 -9.892 -0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.099 -8.341 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.192 -8.146 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.414 -7.830 -2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.688 -9.065 -1.972 1.00 0.00 H new ATOM 1624 N ARG A 103 0.521 -10.323 -5.171 1.00 0.00 N ATOM 1625 CA ARG A 103 0.963 -11.008 -6.374 1.00 0.00 C ATOM 1626 C ARG A 103 2.459 -11.318 -6.290 1.00 0.00 C ATOM 1627 O ARG A 103 2.884 -12.432 -6.593 1.00 0.00 O ATOM 1628 CB ARG A 103 0.694 -10.162 -7.620 1.00 0.00 C ATOM 1629 CG ARG A 103 -0.797 -9.844 -7.755 1.00 0.00 C ATOM 1630 CD ARG A 103 -1.645 -11.103 -7.561 1.00 0.00 C ATOM 1631 NE ARG A 103 -1.049 -12.234 -8.306 1.00 0.00 N ATOM 1632 CZ ARG A 103 -1.429 -13.511 -8.162 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -2.406 -13.827 -7.301 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -0.832 -14.473 -8.879 1.00 0.00 N ATOM 0 H ARG A 103 0.081 -9.417 -5.333 1.00 0.00 H new ATOM 0 HA ARG A 103 0.400 -11.938 -6.451 1.00 0.00 H new ATOM 0 HB2 ARG A 103 1.264 -9.234 -7.564 1.00 0.00 H new ATOM 0 HB3 ARG A 103 1.038 -10.694 -8.507 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.081 -9.093 -7.018 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -0.994 -9.416 -8.738 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.709 -11.349 -6.501 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.662 -10.923 -7.909 1.00 0.00 H new ATOM 0 HE ARG A 103 -0.303 -12.029 -8.970 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.861 -13.095 -6.755 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -2.695 -14.799 -7.192 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -0.088 -14.233 -9.534 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -1.121 -15.445 -8.769 1.00 0.00 H new ATOM 1648 N ARG A 104 3.217 -10.313 -5.876 1.00 0.00 N ATOM 1649 CA ARG A 104 4.656 -10.464 -5.748 1.00 0.00 C ATOM 1650 C ARG A 104 4.994 -11.298 -4.511 1.00 0.00 C ATOM 1651 O ARG A 104 5.787 -12.236 -4.588 1.00 0.00 O ATOM 1652 CB ARG A 104 5.346 -9.102 -5.642 1.00 0.00 C ATOM 1653 CG ARG A 104 4.919 -8.370 -4.368 1.00 0.00 C ATOM 1654 CD ARG A 104 5.341 -6.900 -4.413 1.00 0.00 C ATOM 1655 NE ARG A 104 6.775 -6.775 -4.071 1.00 0.00 N ATOM 1656 CZ ARG A 104 7.506 -5.673 -4.289 1.00 0.00 C ATOM 1657 NH1 ARG A 104 6.941 -4.595 -4.850 1.00 0.00 N ATOM 1658 NH2 ARG A 104 8.801 -5.649 -3.946 1.00 0.00 N ATOM 0 H ARG A 104 2.861 -9.391 -5.625 1.00 0.00 H new ATOM 0 HA ARG A 104 5.017 -10.972 -6.642 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.428 -9.237 -5.643 1.00 0.00 H new ATOM 0 HB3 ARG A 104 5.099 -8.496 -6.514 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.838 -8.438 -4.250 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.365 -8.854 -3.499 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.159 -6.491 -5.407 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.740 -6.319 -3.714 1.00 0.00 H new ATOM 0 HE ARG A 104 7.236 -7.578 -3.643 1.00 0.00 H new ATOM 0 HH11 ARG A 104 5.955 -4.613 -5.111 1.00 0.00 H new ATOM 0 HH12 ARG A 104 7.497 -3.756 -5.016 1.00 0.00 H new ATOM 0 HH21 ARG A 104 9.231 -6.470 -3.519 1.00 0.00 H new ATOM 0 HH22 ARG A 104 9.357 -4.810 -4.112 1.00 0.00 H new ATOM 1672 N GLN A 105 4.377 -10.926 -3.399 1.00 0.00 N ATOM 1673 CA GLN A 105 4.603 -11.628 -2.147 1.00 0.00 C ATOM 1674 C GLN A 105 4.601 -13.140 -2.379 1.00 0.00 C ATOM 1675 O GLN A 105 5.281 -13.881 -1.670 1.00 0.00 O ATOM 1676 CB GLN A 105 3.559 -11.232 -1.101 1.00 0.00 C ATOM 1677 CG GLN A 105 4.040 -10.043 -0.268 1.00 0.00 C ATOM 1678 CD GLN A 105 3.789 -10.279 1.222 1.00 0.00 C ATOM 1679 OE1 GLN A 105 4.269 -11.231 1.816 1.00 0.00 O ATOM 1680 NE2 GLN A 105 3.011 -9.362 1.792 1.00 0.00 N ATOM 0 H GLN A 105 3.721 -10.147 -3.339 1.00 0.00 H new ATOM 0 HA GLN A 105 5.582 -11.341 -1.763 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.622 -10.978 -1.596 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.355 -12.080 -0.447 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.104 -9.881 -0.440 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.524 -9.138 -0.588 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.642 -8.590 1.237 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.784 -9.431 2.784 1.00 0.00 H new